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14-3-3 protein zeta

Required in Raf-dependent cell proliferation and photoreceptor differentiation during eye development1. Acts upstream of Raf and downstream of Ras, and is essential for viability2. Acts as a negative regulator of the slo calcium channel via its interaction with slo-binding protein slob3. Inhibits yki activity by restricting its nuclear localization4. Binds to and promotes the activity of phosphoinositide 3-kinase Pi3K68D which converts phosphatidylinositol to phosphatidylinositol-3-phosphate and promotes maturation of early endosomes5.

AlphaFold DB , UniProt , Accession P29310, Species DROME (Drosophila melanogaster, Fruit fly), Gene 14-3-3zeta, Length 248 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
1M60.3Low85.7Confident134 Ų13477.4 Ų77.466%0.6641%0.406SS*.  0130.60-162.6150.2-158.500107.4D5 L9 T35M1-D5 HydrophobicContact CE-CB 3.27Å; M1-D5 HydrophobicContact CG-CB 3.5Å; M1-D5 VanDerWaalsContact CG-CB 3.5Å; M1-D5 WeakPolarHBondContact CG-OD2 3.46Å; M1-D5 HydrophobicContact SD-CB 4.24Å; M1-L9 HydrophobicContact CE-CD1 3.23Å; M1-L9 HydrophobicContact CE-CG 3.85Å; M1-L9 HydrophobicContact SD-CD1 3.91Å; M1-T35 HydrophobicContact CB-CG2 3.82Å; M1-T35 HydrophobicContact CG-CG2 3.92Å; M1-T35 HydrophobicContact SD-CG2 3.35Å; M1-T35 WeakPolarHBondContact SD-CG2 3.42Å
2S72Confident86.7Confident54 Ų5480.6 Ų80.638%0.37841%0.414SS..  trans-73162175.881.70000110.2V4 D5 K6S2-V4 PolarHBondContact O-N 2.86Å; S2-V4 WeakPolarHBondContact OG-CB 3.42Å; S2-V4 PolarHBondContact OG-N 3.49Å; S2-D5 PolarHBondContact N-OD2 3.4Å; S2-D5 PolarHBondContact O-N 3.09Å; S2-D5 PolarHBondContact OG-N 3.26Å; S2-D5 PolarHBondContact OG-OD1 3.23Å; S2-D5 PolarHBondContact OG-OD2 3.48Å; S2-K6 PolarHBondContact O-N 2.99Å
3T73.4Confident87.6Confident112 Ų11274.4 Ų74.469%0.68738%0.382SS*.Hα-helixtrans-59.2-37.2171.141.80000111.6D5 K6 E7T3-D5 VanDerWaalsContact C-N 3.32Å; T3-D5 PolarHBondContact O-N 2.97Å; T3-K6 PolarHBondContact O-N 2.88Å; T3-E7 PolarHBondContact O-N 3.04Å; T3-E7 VanDerWaalsContact O-N 3.1Å
4V75.2Confident88.4Confident80 Ų8071.9 Ų71.949%0.48537%0.367SS..Hα-helixtrans-59-43.9175.9-179.90000110.8S2 K6 E7 E8S2-V4 PolarHBondContact O-N 2.86Å; S2-V4 WeakPolarHBondContact OG-CB 3.42Å; S2-V4 PolarHBondContact OG-N 3.49Å; V4-K6 VanDerWaalsContact C-N 3.31Å; V4-K6 PolarHBondContact O-N 2.96Å; V4-E7 PolarHBondContact O-N 3.44Å; V4-E8 WeakPolarHBondContact O-CG 3.45Å; V4-E8 PolarHBondContact O-N 3.38Å
5D87.5Confident89Confident62 Ų6274.2 Ų74.233%0.33238%0.38SS..Hα-helixtrans-67.8-32.8-179.4-40-28.3000111.7M1 S2 T3 L9M1-D5 HydrophobicContact CE-CB 3.27Å; M1-D5 HydrophobicContact CG-CB 3.5Å; M1-D5 VanDerWaalsContact CG-CB 3.5Å; M1-D5 WeakPolarHBondContact CG-OD2 3.46Å; M1-D5 HydrophobicContact SD-CB 4.24Å; S2-D5 PolarHBondContact N-OD2 3.4Å; S2-D5 PolarHBondContact O-N 3.09Å; S2-D5 PolarHBondContact OG-N 3.26Å; S2-D5 PolarHBondContact OG-OD1 3.23Å; S2-D5 PolarHBondContact OG-OD2 3.48Å; T3-D5 VanDerWaalsContact C-N 3.32Å; T3-D5 PolarHBondContact O-N 2.97Å; D5-L9 WeakPolarHBondContact O-CG 3.43Å; D5-L9 PolarHBondContact O-N 3.38Å; D5-L9 VanDerWaalsContact O-N 3.12Å
6K92.5Very high89.6Confident33 Ų3370 Ų7014%0.14336%0.36CS..Hα-helixtrans-65.8-47.2176.1-169.8-169.6179.9-1610110.5S2 T3 V4 E8 L9 V10 V32 E43S2-K6 PolarHBondContact O-N 2.99Å; T3-K6 PolarHBondContact O-N 2.88Å; V4-K6 VanDerWaalsContact C-N 3.31Å; V4-K6 PolarHBondContact O-N 2.96Å; K6-E8 VanDerWaalsContact C-N 3.34Å; K6-E8 PolarHBondContact O-N 2.93Å; K6-L9 PolarHBondContact O-N 3.34Å; K6-V10 WeakPolarHBondContact O-CG2 3.32Å; K6-V10 PolarHBondContact O-N 2.93Å; K6-V32 HydrophobicContact CD-CG1 4.44Å; K6-V32 HydrophobicContact CG-CG1 4Å; K6-E43 WeakPolarHBondContact CE-OE1 3.49Å; K6-E43 WeakPolarHBondContact CE-OE2 3.47Å; K6-E43 IonicContact NZ-OE1 3.39Å; K6-E43 PolarHBondContact NZ-OE1 2.94Å; K6-E43 IonicContact NZ-OE2 3.75Å; K6-E43 PolarHBondContact NZ-OE2 3.28Å
7E93.9Very high90.1Very high131 Ų13170 Ų7061%0.61236%0.358SS*.Hα-helixtrans-60.3-43.7178.1-71.8175.2-168.700111.4T3 V4 L9 V10 Q11T3-E7 PolarHBondContact O-N 3.04Å; T3-E7 VanDerWaalsContact O-N 3.1Å; V4-E7 PolarHBondContact O-N 3.44Å; E7-L9 VanDerWaalsContact C-N 3.35Å; E7-L9 PolarHBondContact O-N 3.49Å; E7-V10 PolarHBondContact O-N 3.08Å; E7-Q11 WeakPolarHBondContact O-CG 3.43Å; E7-Q11 PolarHBondContact O-N 3.07Å
8E95.5Very high90.5Very high108 Ų10874.7 Ų74.751%0.50538%0.378SS..Hα-helixtrans-60.3-41.6175.5-74.9-173.3-175.900112.9V4 K6 Q11 K12V4-E8 WeakPolarHBondContact O-CG 3.45Å; V4-E8 PolarHBondContact O-N 3.38Å; K6-E8 VanDerWaalsContact C-N 3.34Å; K6-E8 PolarHBondContact O-N 2.93Å; E8-Q11 PolarHBondContact O-N 3.41Å; E8-K12 WeakPolarHBondContact O-CG 3.42Å; E8-K12 PolarHBondContact O-N 3.33Å
9L96.8Very high90.9Very high20 Ų2074.4 Ų74.411%0.10538%0.384CS..Hα-helixtrans-65.9-41.1176.4-74.4177.6000112.3M1 D5 K6 E7 Q11 K12 A13 S31 V32M1-L9 HydrophobicContact CE-CD1 3.23Å; M1-L9 HydrophobicContact CE-CG 3.85Å; M1-L9 HydrophobicContact SD-CD1 3.91Å; D5-L9 WeakPolarHBondContact O-CG 3.43Å; D5-L9 PolarHBondContact O-N 3.38Å; D5-L9 VanDerWaalsContact O-N 3.12Å; K6-L9 PolarHBondContact O-N 3.34Å; E7-L9 VanDerWaalsContact C-N 3.35Å; E7-L9 PolarHBondContact O-N 3.49Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q11 PolarHBondContact O-N 3.12Å; L9-K12 WeakPolarHBondContact O-CB 3.46Å; L9-K12 PolarHBondContact O-N 3.28Å; L9-A13 PolarHBondContact O-N 3.3Å; L9-S31 VanDerWaalsContact CD1-CB 3.45Å; L9-V32 HydrophobicContact CB-CG2 3.43Å; L9-V32 VanDerWaalsContact CB-CG2 3.43Å; L9-V32 HydrophobicContact CD1-CG2 3.86Å; L9-V32 HydrophobicContact CG-CG2 4.34Å
10V97.8Very high91.2Very high10 Ų1078 Ų786%0.06140%0.399CS..Hα-helixtrans-63.3-41.1175.9171.20000110.4K6 E7 A13 K14 V32 E43 L46K6-V10 WeakPolarHBondContact O-CG2 3.32Å; K6-V10 PolarHBondContact O-N 2.93Å; E7-V10 PolarHBondContact O-N 3.08Å; V10-A13 WeakPolarHBondContact O-CB 3.46Å; V10-A13 PolarHBondContact O-N 3.21Å; V10-K14 WeakPolarHBondContact O-CG 3.39Å; V10-K14 PolarHBondContact O-N 2.83Å; V10-V32 HydrophobicContact CG2-CG1 4.28Å; V10-V32 HydrophobicContact CG2-CG2 3.94Å; V10-E43 HydrophobicContact CG2-CG 3.96Å; V10-L46 HydrophobicContact CG1-CD1 3.99Å
11Q97.8Very high91.6Very high107 Ų10781 Ų8150%0.541%0.405SS..Hα-helixtrans-64.3-40.7174.5-67.1-59.1-20.600112.3E7 E8 L9 A13 K14 L15E7-Q11 WeakPolarHBondContact O-CG 3.43Å; E7-Q11 PolarHBondContact O-N 3.07Å; E8-Q11 PolarHBondContact O-N 3.41Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q11 PolarHBondContact O-N 3.12Å; Q11-A13 VanDerWaalsContact C-N 3.31Å; Q11-A13 PolarHBondContact O-N 3.31Å; Q11-K14 PolarHBondContact O-N 2.7Å; Q11-L15 WeakPolarHBondContact O-CG 3.44Å; Q11-L15 PolarHBondContact O-N 3Å
12K97.7Very high93.4Very high116 Ų11677.1 Ų77.150%0.50438%0.384SS..Hα-helixtrans-59.2-42.3172.6-75.1170-176.8167.10111.7E8 L9 L15 A16 A28E8-K12 WeakPolarHBondContact O-CG 3.42Å; E8-K12 PolarHBondContact O-N 3.33Å; L9-K12 WeakPolarHBondContact O-CB 3.46Å; L9-K12 PolarHBondContact O-N 3.28Å; K12-L15 PolarHBondContact O-N 3.05Å; K12-A16 WeakPolarHBondContact O-CB 3.39Å; K12-A16 PolarHBondContact O-N 3.06Å; K12-A28 HydrophobicContact CB-CB 4.41Å
13A98.3Very high94.6Very high0 Ų078 Ų780%038%0.384CS..Hα-helixtrans-62.4-42.6176.100000112L9 V10 Q11 A16 E17 M25 A28 M29L9-A13 PolarHBondContact O-N 3.3Å; V10-A13 WeakPolarHBondContact O-CB 3.46Å; V10-A13 PolarHBondContact O-N 3.21Å; Q11-A13 VanDerWaalsContact C-N 3.31Å; Q11-A13 PolarHBondContact O-N 3.31Å; A13-A16 WeakPolarHBondContact O-CB 3.43Å; A13-A16 PolarHBondContact O-N 3.14Å; A13-E17 PolarHBondContact O-N 3.44Å; A13-M25 HydrophobicContact CB-CG 4.09Å; A13-A28 HydrophobicContact CB-CB 4.05Å; A13-M29 HydrophobicContact CB-CG 3.74Å; A13-M29 HydrophobicContact CB-SD 3.58Å; A13-M29 VanDerWaalsContact CB-SD 3.58Å
14K98.4Very high95.8Very high39 Ų3975.3 Ų75.317%0.1737%0.365CS..Hα-helixtrans-63.7-40.4176.1-68.4179.7-174.1-171.30112.6V10 Q11 E17 Q18 E42 L46V10-K14 WeakPolarHBondContact O-CG 3.39Å; V10-K14 PolarHBondContact O-N 2.83Å; Q11-K14 PolarHBondContact O-N 2.7Å; K14-E17 PolarHBondContact O-N 3.37Å; K14-Q18 WeakPolarHBondContact O-CG 3.49Å; K14-Q18 PolarHBondContact O-N 3.39Å; K14-Q18 VanDerWaalsContact O-N 3.08Å; K14-E42 VanDerWaalsContact CE-OE1 3.23Å; K14-E42 WeakPolarHBondContact CE-OE1 3.46Å; K14-E42 IonicContact NZ-OE1 2.66Å; K14-E42 PolarHBondContact NZ-OE1 2.84Å; K14-E42 IonicContact NZ-OE2 3.7Å; K14-E42 PolarHBondContact NZ-OE2 2.87Å; K14-L46 HydrophobicContact CG-CD1 4.02Å; K14-L46 HydrophobicContact CG-CD2 4.18Å
15L98.5Very high96.9Very high107 Ų10771.5 Ų71.556%0.5634%0.342SS*.Hα-helixtrans-66.5-38.4174.4-69.4171.2000112Q11 K12 Q18 S19Q11-L15 WeakPolarHBondContact O-CG 3.44Å; Q11-L15 PolarHBondContact O-N 3Å; K12-L15 PolarHBondContact O-N 3.05Å; L15-Q18 PolarHBondContact O-N 3.36Å; L15-S19 PolarHBondContact O-N 3.45Å; L15-S19 PolarHBondContact O-OG 3.37Å
16A98.4Very high97.4Very high7 Ų768.8 Ų68.86%0.05833%0.328CS..Hα-helixtrans-65.4-40.417500000111.7K12 A13 S19 E20 R21 D24 M25K12-A16 WeakPolarHBondContact O-CB 3.39Å; K12-A16 PolarHBondContact O-N 3.06Å; A13-A16 WeakPolarHBondContact O-CB 3.43Å; A13-A16 PolarHBondContact O-N 3.14Å; A16-S19 WeakPolarHBondContact CA-OG 3.31Å; A16-S19 CarbonylContact O-C 3.6Å; A16-S19 PolarHBondContact O-N 3.27Å; A16-S19 PolarHBondContact O-OG 3.16Å; A16-E20 PolarHBondContact O-N 3.34Å; A16-R21 HydrophobicContact CB-CB 4.39Å; A16-R21 PolarHBondContact O-N 3.01Å; A16-D24 HydrophobicContact CB-CB 4.07Å; A16-M25 HydrophobicContact CB-CB 3.83Å; A16-M25 HydrophobicContact CB-CG 4.48Å
17E98.1Very high97.7Very high70 Ų7073.4 Ų73.433%0.32735%0.35SS..Hα-helixtrans-59.3-49.4173.4-176.5179-147.200111.7A13 K14 S19 E20 M25 L46A13-E17 PolarHBondContact O-N 3.44Å; K14-E17 PolarHBondContact O-N 3.37Å; E17-S19 PolarHBondContact O-N 3.45Å; E17-S19 VanDerWaalsContact O-N 3.15Å; E17-E20 PolarHBondContact O-N 3Å; E17-M25 HydrophobicContact CB-CE 3.9Å; E17-M25 HydrophobicContact CB-SD 3.93Å; E17-M25 HydrophobicContact CG-CE 4.16Å; E17-M25 HydrophobicContact CG-SD 4.38Å; E17-L46 WeakPolarHBondContact OE2-CD2 3.5Å
18Q97.7Very high97.9Very high155 Ų15567.6 Ų67.672%0.72433%0.325SS*.Hα-helixtrans-62.9-21.2179.1-71.1173.633.200113.9K14 L15K14-Q18 WeakPolarHBondContact O-CG 3.49Å; K14-Q18 PolarHBondContact O-N 3.39Å; K14-Q18 VanDerWaalsContact O-N 3.08Å; L15-Q18 PolarHBondContact O-N 3.36Å
19S97.4Very high98Very high69 Ų6962.5 Ų62.548%0.48330%0.301SS..THydrogen-bonded Turntrans-104.99.6176.955.10000113.3L15 A16 E17 R21L15-S19 PolarHBondContact O-N 3.45Å; L15-S19 PolarHBondContact O-OG 3.37Å; A16-S19 WeakPolarHBondContact CA-OG 3.31Å; A16-S19 CarbonylContact O-C 3.6Å; A16-S19 PolarHBondContact O-N 3.27Å; A16-S19 PolarHBondContact O-OG 3.16Å; E17-S19 PolarHBondContact O-N 3.45Å; E17-S19 VanDerWaalsContact O-N 3.15Å; S19-R21 PolarHBondContact O-N 3.32Å; S19-R21 VanDerWaalsContact O-N 3.12Å
20E97.4Very high98.1Very high145 Ų14564.2 Ų64.268%0.67831%0.308SS*.THydrogen-bonded Turntrans54.526.6-178.4-55.9-172.515000113.9A16 E17 Y22A16-E20 PolarHBondContact O-N 3.34Å; E17-E20 PolarHBondContact O-N 3Å; E20-Y22 VanDerWaalsContact C-N 3.34Å; E20-Y22 HydrophobicContact CB-CE2 3.92Å; E20-Y22 WeakPolarHBondContact O-CD2 3.33Å; E20-Y22 PolarHBondContact O-N 3Å
21R98.2Very high98Very high141 Ų14166 Ų6653%0.53232%0.321SS..  trans-90.667.5177.7-65.7-151.563.5-173.9-15.8110.9A16 S19 D23 D24 M25A16-R21 HydrophobicContact CB-CB 4.39Å; A16-R21 PolarHBondContact O-N 3.01Å; S19-R21 PolarHBondContact O-N 3.32Å; S19-R21 VanDerWaalsContact O-N 3.12Å; R21-D23 VanDerWaalsContact C-N 3.31Å; R21-D23 PolarHBondContact O-N 3.05Å; R21-D24 HydrophobicContact CB-CB 4.16Å; R21-D24 IonicContact CZ-OD1 3Å; R21-D24 IonicContact CZ-OD2 2.67Å; R21-D24 IonicContact NE-OD1 3.31Å; R21-D24 IonicContact NE-OD2 3.33Å; R21-D24 PolarHBondContact NE-OD2 3.33Å; R21-D24 IonicContact NH1-OD2 2.84Å; R21-D24 PolarHBondContact NH1-OD2 2.97Å; R21-D24 VanDerWaalsContact NH2-CG 3.33Å; R21-D24 IonicContact NH2-OD1 2.89Å; R21-D24 PolarHBondContact NH2-OD1 3.02Å; R21-D24 IonicContact NH2-OD2 3.72Å; R21-D24 PolarHBondContact NH2-OD2 3.23Å; R21-D24 WeakPolarHBondContact O-CB 3.47Å; R21-D24 PolarHBondContact O-N 2.76Å; R21-D24 VanDerWaalsContact O-N 3.09Å; R21-M25 PolarHBondContact O-N 3.42Å
22Y98.3Very high98Very high54 Ų5461 Ų6121%0.21230%0.297CS..Hα-helixtrans-65.1-28.6-171.9-57.9-70.3000114.6E20 M25 A26 V49 N53 V54E20-Y22 VanDerWaalsContact C-N 3.34Å; E20-Y22 HydrophobicContact CB-CE2 3.92Å; E20-Y22 WeakPolarHBondContact O-CD2 3.33Å; E20-Y22 PolarHBondContact O-N 3Å; Y22-M25 HydrophobicContact CD1-SD 4.06Å; Y22-M25 WeakPolarHBondContact O-CB 3.36Å; Y22-M25 PolarHBondContact O-N 3.49Å; Y22-A26 WeakPolarHBondContact O-CB 3.37Å; Y22-A26 PolarHBondContact O-N 3.18Å; Y22-V49 HydrophobicContact CE1-CG1 4.31Å; Y22-N53 HydrophobicContact CD1-CB 3.53Å; Y22-N53 HydrophobicContact CD2-CB 3.47Å; Y22-N53 VanDerWaalsContact CD2-CB 3.47Å; Y22-N53 HydrophobicContact CE1-CB 3.91Å; Y22-N53 VanDerWaalsContact CE1-ND2 3.32Å; Y22-N53 WeakPolarHBondContact CE1-ND2 3.35Å; Y22-N53 HydrophobicContact CE2-CB 3.85Å; Y22-N53 HydrophobicContact CG-CB 3.28Å; Y22-V54 VanDerWaalsContact C-CG2 3.46Å; Y22-V54 WeakPolarHBondContact O-CG2 3.44Å
23D97.9Very high98Very high73 Ų7355.5 Ų55.539%0.3927%0.273SS..Hα-helixtrans-65.1-41.2172.7-61-87.1000111.1R21 A26 Q27 R58R21-D23 VanDerWaalsContact C-N 3.31Å; R21-D23 PolarHBondContact O-N 3.05Å; D23-A26 PolarHBondContact O-N 3.43Å; D23-Q27 WeakPolarHBondContact O-CG 3.48Å; D23-Q27 PolarHBondContact O-N 2.94Å; D23-R58 IonicContact OD1-CZ 3.8Å; D23-R58 IonicContact OD1-NH1 3.72Å; D23-R58 PolarHBondContact OD1-NH1 2.66Å; D23-R58 IonicContact OD1-NH2 3Å; D23-R58 PolarHBondContact OD1-NH2 3.08Å; D23-R58 IonicContact OD2-NH1 2.84Å
24D98.1Very high97.9Very high54 Ų5459.6 Ų59.629%0.28929%0.293SS..Hα-helixtrans-66.6-40175.4-59.88.3000110.5A16 R21 A26 Q27 A28A16-D24 HydrophobicContact CB-CB 4.07Å; R21-D24 HydrophobicContact CB-CB 4.16Å; R21-D24 IonicContact CZ-OD1 3Å; R21-D24 IonicContact CZ-OD2 2.67Å; R21-D24 IonicContact NE-OD1 3.31Å; R21-D24 IonicContact NE-OD2 3.33Å; R21-D24 PolarHBondContact NE-OD2 3.33Å; R21-D24 IonicContact NH1-OD2 2.84Å; R21-D24 PolarHBondContact NH1-OD2 2.97Å; R21-D24 VanDerWaalsContact NH2-CG 3.33Å; R21-D24 IonicContact NH2-OD1 2.89Å; R21-D24 PolarHBondContact NH2-OD1 3.02Å; R21-D24 IonicContact NH2-OD2 3.72Å; R21-D24 PolarHBondContact NH2-OD2 3.23Å; R21-D24 WeakPolarHBondContact O-CB 3.47Å; R21-D24 PolarHBondContact O-N 2.76Å; R21-D24 VanDerWaalsContact O-N 3.09Å; D24-A26 VanDerWaalsContact C-N 3.35Å; D24-A26 PolarHBondContact O-N 3.48Å; D24-Q27 PolarHBondContact O-N 2.89Å; D24-A28 WeakPolarHBondContact O-CB 2.89Å; D24-A28 PolarHBondContact O-N 2.86Å
25M98.2Very high97.7Very high0 Ų059.8 Ų59.80%030%0.297CS..Hα-helixtrans-60.1-44174.6-165.5-169.8-179.400111.3A13 A16 E17 R21 Y22 A28 M29 L46 V49 A50A13-M25 HydrophobicContact CB-CG 4.09Å; A16-M25 HydrophobicContact CB-CB 3.83Å; A16-M25 HydrophobicContact CB-CG 4.48Å; E17-M25 HydrophobicContact CB-CE 3.9Å; E17-M25 HydrophobicContact CB-SD 3.93Å; E17-M25 HydrophobicContact CG-CE 4.16Å; E17-M25 HydrophobicContact CG-SD 4.38Å; R21-M25 PolarHBondContact O-N 3.42Å; Y22-M25 HydrophobicContact CD1-SD 4.06Å; Y22-M25 WeakPolarHBondContact O-CB 3.36Å; Y22-M25 PolarHBondContact O-N 3.49Å; M25-A28 PolarHBondContact O-N 2.97Å; M25-M29 WeakPolarHBondContact O-CB 3.33Å; M25-M29 WeakPolarHBondContact O-CG 3.12Å; M25-M29 PolarHBondContact O-N 3.44Å; M25-L46 HydrophobicContact CE-CB 3.91Å; M25-L46 HydrophobicContact CE-CD2 3.48Å; M25-L46 VanDerWaalsContact CE-CD2 3.48Å; M25-L46 HydrophobicContact CE-CG 4.32Å; M25-L46 WeakPolarHBondContact CE-O 3.44Å; M25-V49 HydrophobicContact CE-CB 4.1Å; M25-V49 HydrophobicContact CE-CG1 4.05Å; M25-V49 HydrophobicContact SD-CG1 4.24Å; M25-A50 HydrophobicContact CB-CB 3.9Å; M25-A50 HydrophobicContact CE-CB 4.25Å; M25-A50 HydrophobicContact CG-CB 3.58Å; M25-A50 VanDerWaalsContact SD-CA 3.57Å; M25-A50 HydrophobicContact SD-CB 3.58Å; M25-A50 VanDerWaalsContact SD-CB 3.58Å
26A98.4Very high97.5Very high5 Ų555.4 Ų55.44%0.04128%0.278CS..Hα-helixtrans-65.3-42.6178.900000111.5Y22 D23 D24 M29 K30 A50 Y51 V54Y22-A26 WeakPolarHBondContact O-CB 3.37Å; Y22-A26 PolarHBondContact O-N 3.18Å; D23-A26 PolarHBondContact O-N 3.43Å; D24-A26 VanDerWaalsContact C-N 3.35Å; D24-A26 PolarHBondContact O-N 3.48Å; A26-M29 PolarHBondContact O-N 3.27Å; A26-K30 WeakPolarHBondContact O-CB 3.3Å; A26-K30 PolarHBondContact O-N 2.83Å; A26-A50 HydrophobicContact CB-CB 4.17Å; A26-Y51 HydrophobicContact CB-CD1 4.12Å; A26-Y51 HydrophobicContact CB-CD2 4.44Å; A26-Y51 HydrophobicContact CB-CE1 3.93Å; A26-Y51 HydrophobicContact CB-CE2 4.23Å; A26-Y51 HydrophobicContact CB-CG 4.39Å; A26-V54 HydrophobicContact CB-CG2 4.2Å
27Q98.1Very high97.2Very high130 Ų13059.1 Ų59.161%0.60730%0.3SS*.Hα-helixtrans-62.5-42.9175.7-72.8178.8-1.200112.7D23 D24 S31D23-Q27 WeakPolarHBondContact O-CG 3.48Å; D23-Q27 PolarHBondContact O-N 2.94Å; D24-Q27 PolarHBondContact O-N 2.89Å; Q27-S31 PolarHBondContact O-N 3.35Å; Q27-S31 VanDerWaalsContact O-N 3.15Å; Q27-S31 PolarHBondContact O-OG 3.06Å
28A98Very high97.1Very high10 Ų1059 Ų598%0.08330%0.299CS..Hα-helixtrans-63.4-49.6176.200000111K12 A13 D24 M25 K30 S31 V32K12-A28 HydrophobicContact CB-CB 4.41Å; A13-A28 HydrophobicContact CB-CB 4.05Å; D24-A28 WeakPolarHBondContact O-CB 2.89Å; D24-A28 PolarHBondContact O-N 2.86Å; M25-A28 PolarHBondContact O-N 2.97Å; A28-K30 VanDerWaalsContact C-N 3.34Å; A28-K30 PolarHBondContact O-N 3.39Å; A28-S31 WeakPolarHBondContact O-CB 3.34Å; A28-S31 PolarHBondContact O-N 3.48Å; A28-S31 VanDerWaalsContact O-N 3.14Å; A28-V32 WeakPolarHBondContact O-CG2 3.38Å; A28-V32 PolarHBondContact O-N 3.14Å
29M98.3Very high97.1Very high0 Ų052 Ų520%027%0.266CS..Hα-helixtrans-70.2-28.1-179.1-68.7-52.3-52.200113.5A13 M25 A26 V32 T33 E43 L46 L47A13-M29 HydrophobicContact CB-CG 3.74Å; A13-M29 HydrophobicContact CB-SD 3.58Å; A13-M29 VanDerWaalsContact CB-SD 3.58Å; M25-M29 WeakPolarHBondContact O-CB 3.33Å; M25-M29 WeakPolarHBondContact O-CG 3.12Å; M25-M29 PolarHBondContact O-N 3.44Å; A26-M29 PolarHBondContact O-N 3.27Å; M29-V32 HydrophobicContact CE-CB 4.18Å; M29-V32 HydrophobicContact CE-CG1 4.17Å; M29-V32 HydrophobicContact CE-CG2 4.47Å; M29-V32 PolarHBondContact O-N 3.2Å; M29-V32 HydrophobicContact SD-CG2 4.29Å; M29-T33 WeakPolarHBondContact O-CB 3.36Å; M29-T33 PolarHBondContact O-N 2.86Å; M29-T33 PolarHBondContact O-OG1 3.49Å; M29-E43 HydrophobicContact CE-CB 4.21Å; M29-E43 WeakPolarHBondContact CE-O 3.36Å; M29-L46 HydrophobicContact CE-CB 4.17Å; M29-L46 HydrophobicContact CG-CB 4.2Å; M29-L46 HydrophobicContact SD-CB 3.9Å; M29-L46 HydrophobicContact SD-CD1 4.38Å; M29-L47 HydrophobicContact CB-CB 4.31Å; M29-L47 HydrophobicContact CB-CD1 3.7Å; M29-L47 HydrophobicContact CE-CB 4.17Å
30K98.2Very high97Very high57 Ų5751.2 Ų51.225%0.24826%0.261CS..Hα-helixtrans-58.4-51.3167.2-178.4174.7-178.7-178.80110.4A26 A28 V32 T33 E34 Y51 E99 L103A26-K30 WeakPolarHBondContact O-CB 3.3Å; A26-K30 PolarHBondContact O-N 2.83Å; A28-K30 VanDerWaalsContact C-N 3.34Å; A28-K30 PolarHBondContact O-N 3.39Å; K30-V32 VanDerWaalsContact C-N 3.31Å; K30-V32 PolarHBondContact O-N 3.07Å; K30-T33 WeakPolarHBondContact O-CB 3.31Å; K30-T33 PolarHBondContact O-N 3.25Å; K30-T33 VanDerWaalsContact O-N 3.07Å; K30-E34 WeakPolarHBondContact CE-OE1 3.47Å; K30-E34 HydrophobicContact CG-CG 4.4Å; K30-E34 WeakPolarHBondContact O-CG 3.49Å; K30-E34 PolarHBondContact O-N 2.9Å; K30-Y51 WeakPolarHBondContact CB-OH 3.45Å; K30-E99 HydrophobicContact CD-CG 4.29Å; K30-E99 IonicContact NZ-OE2 2.67Å; K30-E99 PolarHBondContact NZ-OE2 2.92Å; K30-L103 HydrophobicContact CB-CD1 4.34Å; K30-L103 HydrophobicContact CG-CD1 4.1Å; K30-L103 HydrophobicContact CG-CD2 4.1Å
31S97.6Very high96.9Very high48 Ų4848.2 Ų48.234%0.33625%0.25SC..Hα-helixtrans-61.6-39.7-180-55.40000111.8L9 Q27 A28 E34 T35L9-S31 VanDerWaalsContact CD1-CB 3.45Å; Q27-S31 PolarHBondContact O-N 3.35Å; Q27-S31 VanDerWaalsContact O-N 3.15Å; Q27-S31 PolarHBondContact O-OG 3.06Å; A28-S31 WeakPolarHBondContact O-CB 3.34Å; A28-S31 PolarHBondContact O-N 3.48Å; A28-S31 VanDerWaalsContact O-N 3.14Å; S31-E34 PolarHBondContact O-N 3.34Å; S31-T35 WeakPolarHBondContact O-CG2 3.46Å; S31-T35 PolarHBondContact O-N 3.4Å
32V97.7Very high96.8Very high0 Ų046.5 Ų46.50%025%0.248CC..Hα-helixtrans-60.2-46.7172.4175.30000110.9K6 L9 V10 A28 M29 K30 E34 T35 L39K6-V32 HydrophobicContact CD-CG1 4.44Å; K6-V32 HydrophobicContact CG-CG1 4Å; L9-V32 HydrophobicContact CB-CG2 3.43Å; L9-V32 VanDerWaalsContact CB-CG2 3.43Å; L9-V32 HydrophobicContact CD1-CG2 3.86Å; L9-V32 HydrophobicContact CG-CG2 4.34Å; V10-V32 HydrophobicContact CG2-CG1 4.28Å; V10-V32 HydrophobicContact CG2-CG2 3.94Å; A28-V32 WeakPolarHBondContact O-CG2 3.38Å; A28-V32 PolarHBondContact O-N 3.14Å; M29-V32 HydrophobicContact CE-CB 4.18Å; M29-V32 HydrophobicContact CE-CG1 4.17Å; M29-V32 HydrophobicContact CE-CG2 4.47Å; M29-V32 PolarHBondContact O-N 3.2Å; M29-V32 HydrophobicContact SD-CG2 4.29Å; K30-V32 VanDerWaalsContact C-N 3.31Å; K30-V32 PolarHBondContact O-N 3.07Å; V32-E34 PolarHBondContact O-N 3.01Å; V32-T35 WeakPolarHBondContact O-CB 3.27Å; V32-T35 WeakPolarHBondContact O-CG2 3.4Å; V32-T35 PolarHBondContact O-N 3.03Å; V32-T35 PolarHBondContact O-OG1 2.84Å; V32-L39 HydrophobicContact CG1-CD2 3.72Å
33T97.6Very high96.8Very high1 Ų145.1 Ų45.11%0.00624%0.243CC..Hα-helixtrans-64.1-41.1-178.6-57.80000111.9M29 K30 T35 G36 L103 Y107 L108M29-T33 WeakPolarHBondContact O-CB 3.36Å; M29-T33 PolarHBondContact O-N 2.86Å; M29-T33 PolarHBondContact O-OG1 3.49Å; K30-T33 WeakPolarHBondContact O-CB 3.31Å; K30-T33 PolarHBondContact O-N 3.25Å; K30-T33 VanDerWaalsContact O-N 3.07Å; T33-T35 PolarHBondContact O-N 3.44Å; T33-G36 PolarHBondContact O-N 2.9Å; T33-L103 HydrophobicContact CG2-CB 4.16Å; T33-L103 HydrophobicContact CG2-CD2 4Å; T33-Y107 HydrophobicContact CG2-CD2 4.35Å; T33-Y107 HydrophobicContact CG2-CG 4.36Å; T33-L108 HydrophobicContact CG2-CD1 4.01Å; T33-L108 HydrophobicContact CG2-CD2 3.69Å; T33-L108 HydrophobicContact CG2-CG 3.74Å
34E96.4Very high96.8Very high87 Ų8742.2 Ų42.241%0.40723%0.227SC..Hα-helixtrans-70.9-11.6-178.7-70.7-178.6149.600113.7K30 S31 V32 G36 L103 Y107K30-E34 WeakPolarHBondContact CE-OE1 3.47Å; K30-E34 HydrophobicContact CG-CG 4.4Å; K30-E34 WeakPolarHBondContact O-CG 3.49Å; K30-E34 PolarHBondContact O-N 2.9Å; S31-E34 PolarHBondContact O-N 3.34Å; V32-E34 PolarHBondContact O-N 3.01Å; E34-G36 PolarHBondContact O-N 2.67Å; E34-L103 HydrophobicContact CG-CD2 3.81Å; E34-Y107 HydrophobicContact CB-CE2 4.42Å; E34-Y107 HydrophobicContact CG-CD2 4.37Å; E34-Y107 HydrophobicContact CG-CE2 3.71Å
35T94.2Very high96.7Very high43 Ų4343.2 Ų43.226%0.26423%0.232SC..THydrogen-bonded Turntrans-61-23.3166.270.20000112.3M1 S31 V32 T33 V37M1-T35 HydrophobicContact CB-CG2 3.82Å; M1-T35 HydrophobicContact CG-CG2 3.92Å; M1-T35 HydrophobicContact SD-CG2 3.35Å; M1-T35 WeakPolarHBondContact SD-CG2 3.42Å; S31-T35 WeakPolarHBondContact O-CG2 3.46Å; S31-T35 PolarHBondContact O-N 3.4Å; V32-T35 WeakPolarHBondContact O-CB 3.27Å; V32-T35 WeakPolarHBondContact O-CG2 3.4Å; V32-T35 PolarHBondContact O-N 3.03Å; V32-T35 PolarHBondContact O-OG1 2.84Å; T33-T35 PolarHBondContact O-N 3.44Å; T35-V37 PolarHBondContact O-N 3.04Å; T35-V37 PolarHBondContact OG1-N 3.45Å
36G92.4Very high96.7Very high15 Ų1543.7 Ų43.716%0.15524%0.235CC..  trans71.712.2-177.100000113.9T33 E34 K111T33-G36 PolarHBondContact O-N 2.9Å; E34-G36 PolarHBondContact O-N 2.67Å; G36-K111 VanDerWaalsContact C-NZ 3.32Å; G36-K111 WeakPolarHBondContact O-CD 3.49Å; G36-K111 WeakPolarHBondContact O-CE 3.32Å; G36-K111 PolarHBondContact O-NZ 3.28Å
37V93.1Very high96.7Very high84 Ų8443.6 Ų43.651%0.50923%0.234SC..PPolyproline II helixtrans-80.4137.2167.7-177.60000108.2T35 L39T35-V37 PolarHBondContact O-N 3.04Å; T35-V37 PolarHBondContact OG1-N 3.45Å; V37-L39 PolarHBondContact O-N 3.39Å
38E95.7Very high96.8Very high67 Ų6739 Ų3931%0.31322%0.216SC..PPolyproline II helixtrans-57.1134.1174.7-172.5174.1-164.900109.9K111 S113E38-K111 VanDerWaalsContact CD-O 3.27Å; E38-S113 WeakPolarHBondContact OE1-CB 3.48Å; E38-S113 PolarHBondContact OE1-N 3.05Å; E38-S113 PolarHBondContact OE1-OG 2.97Å; E38-S113 VanDerWaalsContact OE2-CB 3.26Å; E38-S113 WeakPolarHBondContact OE2-CB 3.35Å; E38-S113 PolarHBondContact OE2-OG 3.49Å
39L97.2Very high96.8Very high8 Ų840.7 Ų40.74%0.04223%0.225CC..PPolyproline II helixtrans-76.7140.6-178.9-58.9-172.3000110.7V32 V37 E43 R44 L47 L108V32-L39 HydrophobicContact CG1-CD2 3.72Å; V37-L39 PolarHBondContact O-N 3.39Å; L39-E43 WeakPolarHBondContact CA-OE2 3.32Å; L39-E43 HydrophobicContact CB-CB 3.95Å; L39-E43 HydrophobicContact CD2-CB 4.21Å; L39-E43 HydrophobicContact CG-CB 4.47Å; L39-R44 HydrophobicContact CB-CB 4.32Å; L39-L47 HydrophobicContact CD1-CB 4.44Å; L39-L47 HydrophobicContact CD1-CD2 4.03Å; L39-L108 HydrophobicContact CD1-CD2 3.63Å; L39-L108 HydrophobicContact CG-CD2 3.83Å
40S96.4Very high96.8Very high53 Ų5340.7 Ų40.737%0.37123%0.225SC..PPolyproline II helixtrans-66.8167.1165.3780000110.9E42 E43 R44S40-E42 VanDerWaalsContact C-N 3.25Å; S40-E42 PolarHBondContact O-N 2.94Å; S40-E42 PolarHBondContact OG-N 3.34Å; S40-E43 PolarHBondContact N-OE2 3.5Å; S40-E43 PolarHBondContact O-N 2.91Å; S40-E43 WeakPolarHBondContact OG-CG 3.35Å; S40-E43 PolarHBondContact OG-N 3.34Å; S40-R44 VanDerWaalsContact O-CB 3.25Å; S40-R44 WeakPolarHBondContact O-CB 3.39Å; S40-R44 PolarHBondContact O-N 3.43Å
41N94.9Very high96.8Very high83 Ų8338 Ų3844%0.44421%0.213SC..Hα-helixtrans-57.7-38.6175.2-75.9-14.6000112.4R44 N45N41-R44 PolarHBondContact OD1-NH1 3.42Å; N41-N45 WeakPolarHBondContact O-CB 3.28Å; N41-N45 PolarHBondContact O-N 2.91Å; N41-N45 PolarHBondContact O-ND2 3.48Å; N41-N45 PolarHBondContact O-OD1 3.3Å
42E96.4Very high96.8Very high105 Ų10542.2 Ų42.249%0.49123%0.225SC..Hα-helixtrans-65.8-49176.8-173-177-150.200111K14 S40 R44 N45 L46K14-E42 VanDerWaalsContact CE-OE1 3.23Å; K14-E42 WeakPolarHBondContact CE-OE1 3.46Å; K14-E42 IonicContact NZ-OE1 2.66Å; K14-E42 PolarHBondContact NZ-OE1 2.84Å; K14-E42 IonicContact NZ-OE2 3.7Å; K14-E42 PolarHBondContact NZ-OE2 2.87Å; S40-E42 VanDerWaalsContact C-N 3.25Å; S40-E42 PolarHBondContact O-N 2.94Å; S40-E42 PolarHBondContact OG-N 3.34Å; E42-R44 VanDerWaalsContact C-N 3.35Å; E42-R44 PolarHBondContact O-N 3.46Å; E42-N45 PolarHBondContact O-N 2.98Å; E42-N45 VanDerWaalsContact O-N 3.17Å; E42-L46 HydrophobicContact CG-CD1 4.44Å; E42-L46 WeakPolarHBondContact O-CG 3.39Å; E42-L46 PolarHBondContact O-N 3Å
43E97.7Very high96.9Very high25 Ų2545 Ų4512%0.11724%0.24CC..Hα-helixtrans-62.9-41.6179.9-68.3168.5164.800111.9K6 V10 M29 L39 S40 N45 L46 L47K6-E43 WeakPolarHBondContact CE-OE1 3.49Å; K6-E43 WeakPolarHBondContact CE-OE2 3.47Å; K6-E43 IonicContact NZ-OE1 3.39Å; K6-E43 PolarHBondContact NZ-OE1 2.94Å; K6-E43 IonicContact NZ-OE2 3.75Å; K6-E43 PolarHBondContact NZ-OE2 3.28Å; V10-E43 HydrophobicContact CG2-CG 3.96Å; M29-E43 HydrophobicContact CE-CB 4.21Å; M29-E43 WeakPolarHBondContact CE-O 3.36Å; L39-E43 WeakPolarHBondContact CA-OE2 3.32Å; L39-E43 HydrophobicContact CB-CB 3.95Å; L39-E43 HydrophobicContact CD2-CB 4.21Å; L39-E43 HydrophobicContact CG-CB 4.47Å; S40-E43 PolarHBondContact N-OE2 3.5Å; S40-E43 PolarHBondContact O-N 2.91Å; S40-E43 WeakPolarHBondContact OG-CG 3.35Å; S40-E43 PolarHBondContact OG-N 3.34Å; E43-N45 VanDerWaalsContact C-N 3.32Å; E43-N45 PolarHBondContact O-N 3.38Å; E43-L46 PolarHBondContact O-N 3.26Å; E43-L47 PolarHBondContact O-N 3.39Å
44R97.7Very high96.9Very high12 Ų1245.2 Ų45.25%0.04524%0.242CC..Hα-helixtrans-59.9-42.9174.2-178.4-169.975.2-165.7-3.6111.6L39 S40 N41 E42 L47 S48 F120 Y121L39-R44 HydrophobicContact CB-CB 4.32Å; S40-R44 VanDerWaalsContact O-CB 3.25Å; S40-R44 WeakPolarHBondContact O-CB 3.39Å; S40-R44 PolarHBondContact O-N 3.43Å; N41-R44 PolarHBondContact OD1-NH1 3.42Å; E42-R44 VanDerWaalsContact C-N 3.35Å; E42-R44 PolarHBondContact O-N 3.46Å; R44-L47 PolarHBondContact O-N 3.03Å; R44-S48 PolarHBondContact O-N 2.85Å; R44-F120 VanDerWaalsContact CD-CD1 3.4Å; R44-F120 HydrophobicContact CG-CD1 3.59Å; R44-F120 HydrophobicContact CG-CE1 3.4Å; R44-F120 HydrophobicContact CG-CE2 4.42Å; R44-F120 HydrophobicContact CG-CG 4.2Å; R44-F120 HydrophobicContact CG-CZ 3.83Å; R44-Y121 HydrophobicContact CG-CE1 3.64Å
45N97Very high97Very high75 Ų7541.1 Ų41.140%0.40122%0.222SC..Hα-helixtrans-67-41.4177.9-71.7-10000111.3N41 E42 E43 L47 S48 V49N41-N45 WeakPolarHBondContact O-CB 3.28Å; N41-N45 PolarHBondContact O-N 2.91Å; N41-N45 PolarHBondContact O-ND2 3.48Å; N41-N45 PolarHBondContact O-OD1 3.3Å; E42-N45 PolarHBondContact O-N 2.98Å; E42-N45 VanDerWaalsContact O-N 3.17Å; E43-N45 VanDerWaalsContact C-N 3.32Å; E43-N45 PolarHBondContact O-N 3.38Å; N45-L47 PolarHBondContact O-N 3.5Å; N45-S48 WeakPolarHBondContact O-CB 3.38Å; N45-S48 PolarHBondContact O-N 3.09Å; N45-V49 WeakPolarHBondContact O-CG2 3.46Å; N45-V49 PolarHBondContact O-N 3.5Å
46L98.4Very high97.2Very high10 Ų1040.3 Ų40.35%0.05222%0.223CC..Hα-helixtrans-58.6-47.2173.8-71169.7000111.6V10 K14 E17 M25 M29 E42 E43 S48 V49 A50V10-L46 HydrophobicContact CG1-CD1 3.99Å; K14-L46 HydrophobicContact CG-CD1 4.02Å; K14-L46 HydrophobicContact CG-CD2 4.18Å; E17-L46 WeakPolarHBondContact OE2-CD2 3.5Å; M25-L46 HydrophobicContact CE-CB 3.91Å; M25-L46 HydrophobicContact CE-CD2 3.48Å; M25-L46 VanDerWaalsContact CE-CD2 3.48Å; M25-L46 HydrophobicContact CE-CG 4.32Å; M25-L46 WeakPolarHBondContact CE-O 3.44Å; M29-L46 HydrophobicContact CE-CB 4.17Å; M29-L46 HydrophobicContact CG-CB 4.2Å; M29-L46 HydrophobicContact SD-CB 3.9Å; M29-L46 HydrophobicContact SD-CD1 4.38Å; E42-L46 HydrophobicContact CG-CD1 4.44Å; E42-L46 WeakPolarHBondContact O-CG 3.39Å; E42-L46 PolarHBondContact O-N 3Å; E43-L46 PolarHBondContact O-N 3.26Å; L46-S48 VanDerWaalsContact C-N 3.29Å; L46-S48 PolarHBondContact O-N 3.29Å; L46-V49 PolarHBondContact O-N 2.86Å; L46-A50 WeakPolarHBondContact O-CB 3.37Å; L46-A50 PolarHBondContact O-N 3.49Å
47L98.6Very high97.5Very high3 Ų342 Ų422%0.01624%0.235CC..Hα-helixtrans-56.2-45.9175.5-179.575000111.5M29 L39 E43 R44 N45 A50 Y51 L108M29-L47 HydrophobicContact CB-CB 4.31Å; M29-L47 HydrophobicContact CB-CD1 3.7Å; M29-L47 HydrophobicContact CE-CB 4.17Å; L39-L47 HydrophobicContact CD1-CB 4.44Å; L39-L47 HydrophobicContact CD1-CD2 4.03Å; E43-L47 PolarHBondContact O-N 3.39Å; R44-L47 PolarHBondContact O-N 3.03Å; N45-L47 PolarHBondContact O-N 3.5Å; L47-A50 PolarHBondContact O-N 3.33Å; L47-Y51 HydrophobicContact CD1-CD2 3.7Å; L47-Y51 HydrophobicContact CD1-CE2 3.47Å; L47-Y51 VanDerWaalsContact CD1-CE2 3.47Å; L47-Y51 HydrophobicContact CG-CD2 4.21Å; L47-Y51 HydrophobicContact CG-CE2 4.43Å; L47-Y51 WeakPolarHBondContact O-CD2 3.36Å; L47-Y51 PolarHBondContact O-N 3Å; L47-L108 HydrophobicContact CD2-CD1 3.47Å; L47-L108 VanDerWaalsContact CD2-CD1 3.47Å
48S98.3Very high97.7Very high33 Ų3340.7 Ų40.723%0.23122%0.221CC..Hα-helixtrans-63.3-48179.6-176.40000112.1R44 N45 L46 A50 K52R44-S48 PolarHBondContact O-N 2.85Å; N45-S48 WeakPolarHBondContact O-CB 3.38Å; N45-S48 PolarHBondContact O-N 3.09Å; L46-S48 VanDerWaalsContact C-N 3.29Å; L46-S48 PolarHBondContact O-N 3.29Å; S48-A50 VanDerWaalsContact C-N 3.35Å; S48-A50 PolarHBondContact O-N 3.38Å; S48-K52 WeakPolarHBondContact O-CB 3.46Å; S48-K52 PolarHBondContact O-N 3.33Å
49V98.4Very high97.8Very high46 Ų4639.3 Ų39.328%0.27921%0.213SC..Hα-helixtrans-60.3-44.6177.8169.70000111.1Y22 M25 N45 L46 N53Y22-V49 HydrophobicContact CE1-CG1 4.31Å; M25-V49 HydrophobicContact CE-CB 4.1Å; M25-V49 HydrophobicContact CE-CG1 4.05Å; M25-V49 HydrophobicContact SD-CG1 4.24Å; N45-V49 WeakPolarHBondContact O-CG2 3.46Å; N45-V49 PolarHBondContact O-N 3.5Å; L46-V49 PolarHBondContact O-N 2.86Å; V49-N53 PolarHBondContact O-N 3.48Å; V49-N53 VanDerWaalsContact O-N 3.14Å; V49-N53 PolarHBondContact O-ND2 2.9Å
50A98.6Very high97.9Very high0 Ų042.2 Ų42.20%023%0.234CC..Hα-helixtrans-55.9-61.3179.600000111.4M25 A26 L46 L47 S48 K52 N53 V54M25-A50 HydrophobicContact CB-CB 3.9Å; M25-A50 HydrophobicContact CE-CB 4.25Å; M25-A50 HydrophobicContact CG-CB 3.58Å; M25-A50 VanDerWaalsContact SD-CA 3.57Å; M25-A50 HydrophobicContact SD-CB 3.58Å; M25-A50 VanDerWaalsContact SD-CB 3.58Å; A26-A50 HydrophobicContact CB-CB 4.17Å; L46-A50 WeakPolarHBondContact O-CB 3.37Å; L46-A50 PolarHBondContact O-N 3.49Å; L47-A50 PolarHBondContact O-N 3.33Å; S48-A50 VanDerWaalsContact C-N 3.35Å; S48-A50 PolarHBondContact O-N 3.38Å; A50-K52 PolarHBondContact O-N 3.34Å; A50-N53 PolarHBondContact O-N 3.12Å; A50-V54 WeakPolarHBondContact O-CG2 3.33Å; A50-V54 PolarHBondContact O-N 2.99Å; A50-V54 VanDerWaalsContact O-N 3.12Å
51Y98.7Very high98Very high1 Ų142.4 Ų42.40%0.00424%0.235CC..Hα-helixtrans-71.8-31.9-175.1-75.9-78.1000112.8A26 K30 L47 N53 V54 V55 I96 E99 V100 L103 Y128A26-Y51 HydrophobicContact CB-CD1 4.12Å; A26-Y51 HydrophobicContact CB-CD2 4.44Å; A26-Y51 HydrophobicContact CB-CE1 3.93Å; A26-Y51 HydrophobicContact CB-CE2 4.23Å; A26-Y51 HydrophobicContact CB-CG 4.39Å; K30-Y51 WeakPolarHBondContact CB-OH 3.45Å; L47-Y51 HydrophobicContact CD1-CD2 3.7Å; L47-Y51 HydrophobicContact CD1-CE2 3.47Å; L47-Y51 VanDerWaalsContact CD1-CE2 3.47Å; L47-Y51 HydrophobicContact CG-CD2 4.21Å; L47-Y51 HydrophobicContact CG-CE2 4.43Å; L47-Y51 WeakPolarHBondContact O-CD2 3.36Å; L47-Y51 PolarHBondContact O-N 3Å; Y51-N53 VanDerWaalsContact C-N 3.29Å; Y51-N53 PolarHBondContact O-N 2.91Å; Y51-V54 PolarHBondContact O-N 3.18Å; Y51-V55 WeakPolarHBondContact O-CB 3.35Å; Y51-V55 WeakPolarHBondContact O-CG1 3.47Å; Y51-V55 PolarHBondContact O-N 3.12Å; Y51-I96 HydrophobicContact CD1-CG2 4.2Å; Y51-E99 HydrophobicContact CE1-CG 4.38Å; Y51-E99 WeakPolarHBondContact CE1-OE1 3.25Å; Y51-E99 PolarHBondContact OH-OE1 3.38Å; Y51-V100 HydrophobicContact CD1-CG2 3.17Å; Y51-V100 HydrophobicContact CD2-CG2 3.92Å; Y51-V100 HydrophobicContact CE1-CG2 3.52Å; Y51-V100 HydrophobicContact CE2-CG2 4.22Å; Y51-V100 HydrophobicContact CG-CG2 3.38Å; Y51-L103 HydrophobicContact CE2-CD1 3.96Å; Y51-L103 WeakPolarHBondContact OH-CD1 3.44Å; Y51-Y128 WeakPolarHBondContact CB-OH 3.37Å; Y51-Y128 PolarHBondContact O-OH 2.63Å
52K98.1Very high98.1Very high135 Ų13540.6 Ų40.659%0.58722%0.222SC*.Hα-helixtrans-57.9-42.4173.9179.2-176.1174.2-1730111.5S48 A50 V55 G56 Y128S48-K52 WeakPolarHBondContact O-CB 3.46Å; S48-K52 PolarHBondContact O-N 3.33Å; A50-K52 PolarHBondContact O-N 3.34Å; K52-V55 WeakPolarHBondContact O-CG1 3.45Å; K52-G56 WeakPolarHBondContact O-CA 3.5Å; K52-G56 PolarHBondContact O-N 2.87Å; K52-Y128 PolarHBondContact N-OH 2.67Å
53N98.4Very high98.2Very high58 Ų5840.5 Ų40.531%0.3122%0.218SC..Hα-helixtrans-72.6-43.8178.7-79.7-72000112Y22 V49 A50 Y51 V55 G56 A57Y22-N53 HydrophobicContact CD1-CB 3.53Å; Y22-N53 HydrophobicContact CD2-CB 3.47Å; Y22-N53 VanDerWaalsContact CD2-CB 3.47Å; Y22-N53 HydrophobicContact CE1-CB 3.91Å; Y22-N53 VanDerWaalsContact CE1-ND2 3.32Å; Y22-N53 WeakPolarHBondContact CE1-ND2 3.35Å; Y22-N53 HydrophobicContact CE2-CB 3.85Å; Y22-N53 HydrophobicContact CG-CB 3.28Å; V49-N53 PolarHBondContact O-N 3.48Å; V49-N53 VanDerWaalsContact O-N 3.14Å; V49-N53 PolarHBondContact O-ND2 2.9Å; A50-N53 PolarHBondContact O-N 3.12Å; Y51-N53 VanDerWaalsContact C-N 3.29Å; Y51-N53 PolarHBondContact O-N 2.91Å; N53-V55 PolarHBondContact O-N 2.84Å; N53-G56 PolarHBondContact O-N 2.92Å; N53-A57 PolarHBondContact O-N 3.37Å
54V98.4Very high98.1Very high6 Ų643.4 Ų43.44%0.03624%0.237CC..Hα-helixtrans-58.7-50.6177.4173.30000111.1Y22 A26 A50 Y51 R58 I96Y22-V54 VanDerWaalsContact C-CG2 3.46Å; Y22-V54 WeakPolarHBondContact O-CG2 3.44Å; A26-V54 HydrophobicContact CB-CG2 4.2Å; A50-V54 WeakPolarHBondContact O-CG2 3.33Å; A50-V54 PolarHBondContact O-N 2.99Å; A50-V54 VanDerWaalsContact O-N 3.12Å; Y51-V54 PolarHBondContact O-N 3.18Å; V54-R58 VanDerWaalsContact O-CD 3.31Å; V54-R58 WeakPolarHBondContact O-CD 3.4Å; V54-R58 PolarHBondContact O-N 2.85Å; V54-I96 HydrophobicContact CG1-CD1 3.66Å; V54-I96 HydrophobicContact CG1-CG1 4.05Å; V54-I96 HydrophobicContact CG1-CG2 4.05Å
55V98.5Very high98.1Very high1 Ų143.8 Ų43.81%0.00624%0.239CC..Hα-helixtrans-69-37.5179.280.10000111.6Y51 K52 N53 A57 R58 R59 L93 I96 Y128 Y131Y51-V55 WeakPolarHBondContact O-CB 3.35Å; Y51-V55 WeakPolarHBondContact O-CG1 3.47Å; Y51-V55 PolarHBondContact O-N 3.12Å; K52-V55 WeakPolarHBondContact O-CG1 3.45Å; N53-V55 PolarHBondContact O-N 2.84Å; V55-A57 PolarHBondContact O-N 3.18Å; V55-R58 PolarHBondContact O-N 3.42Å; V55-R59 WeakPolarHBondContact O-CG 3.5Å; V55-R59 PolarHBondContact O-N 3.07Å; V55-L93 HydrophobicContact CG2-CD1 3.43Å; V55-L93 VanDerWaalsContact CG2-CD1 3.43Å; V55-I96 HydrophobicContact CB-CG2 4.26Å; V55-I96 HydrophobicContact CG2-CG2 4.49Å; V55-Y128 HydrophobicContact CB-CE1 4.06Å; V55-Y128 HydrophobicContact CG1-CE1 4.03Å; V55-Y128 HydrophobicContact CG2-CD1 4.49Å; V55-Y128 HydrophobicContact CG2-CE1 4.1Å; V55-Y131 HydrophobicContact CG1-CD2 4Å; V55-Y131 HydrophobicContact CG1-CE2 3.79Å; V55-Y131 HydrophobicContact CG2-CD2 3.84Å; V55-Y131 HydrophobicContact CG2-CE2 4.48Å
56G98.1Very high98Very high27 Ų2740.9 Ų40.928%0.27823%0.225SC..Hα-helixtrans-59.5-43177.600000112.7K52 N53 R58 R59 S60K52-G56 WeakPolarHBondContact O-CA 3.5Å; K52-G56 PolarHBondContact O-N 2.87Å; N53-G56 PolarHBondContact O-N 2.92Å; G56-R58 PolarHBondContact O-N 3Å; G56-R59 PolarHBondContact O-N 3.24Å; G56-S60 WeakPolarHBondContact O-CB 3.32Å; G56-S60 PolarHBondContact O-N 3.27Å
57A98.1Very high97.8Very high49 Ų4943.3 Ų43.341%0.40524%0.243SC..Hα-helixtrans-62.2-42.1176.900000112.5N53 V55 S60 S61N53-A57 PolarHBondContact O-N 3.37Å; V55-A57 PolarHBondContact O-N 3.18Å; A57-S60 PolarHBondContact O-N 3.21Å; A57-S61 WeakPolarHBondContact O-CB 3.29Å; A57-S61 PolarHBondContact O-N 3.47Å; A57-S61 PolarHBondContact O-OG 3.17Å
58R98.4Very high97.6Very high58 Ų5845.8 Ų45.822%0.21926%0.255CS..Hα-helixtrans-69.4-41.9177.2-84.867.1179.1-166.4-5.3111.3D23 V54 V55 G56 S60 S61 W62 V89 E92 L93 I96D23-R58 IonicContact OD1-CZ 3.8Å; D23-R58 IonicContact OD1-NH1 3.72Å; D23-R58 PolarHBondContact OD1-NH1 2.66Å; D23-R58 IonicContact OD1-NH2 3Å; D23-R58 PolarHBondContact OD1-NH2 3.08Å; D23-R58 IonicContact OD2-NH1 2.84Å; V54-R58 VanDerWaalsContact O-CD 3.31Å; V54-R58 WeakPolarHBondContact O-CD 3.4Å; V54-R58 PolarHBondContact O-N 2.85Å; V55-R58 PolarHBondContact O-N 3.42Å; G56-R58 PolarHBondContact O-N 3Å; R58-S60 VanDerWaalsContact C-N 3.34Å; R58-S60 PolarHBondContact O-N 3.07Å; R58-S61 PolarHBondContact O-N 3.15Å; R58-W62 WeakPolarHBondContact O-CB 3.32Å; R58-W62 PolarHBondContact O-N 3.26Å; R58-V89 HydrophobicContact CB-CG1 4.36Å; R58-V89 WeakPolarHBondContact O-CG1 3.42Å; R58-E92 HydrophobicContact CG-CB 4.29Å; R58-E92 IonicContact NE-OE2 3.51Å; R58-L93 HydrophobicContact CB-CB 4.4Å; R58-L93 HydrophobicContact CB-CD1 3.94Å; R58-I96 HydrophobicContact CG-CD1 4.04Å
59R98.1Very high97.3Very high38 Ų3845.4 Ų45.414%0.14325%0.25CS..Hα-helixtrans-60.8-40.8174.5-74.2-179.867.3-125.413112.6V55 G56 W62 R63 L93 E134V55-R59 WeakPolarHBondContact O-CG 3.5Å; V55-R59 PolarHBondContact O-N 3.07Å; G56-R59 PolarHBondContact O-N 3.24Å; R59-W62 PolarHBondContact O-N 3.25Å; R59-R63 WeakPolarHBondContact O-CG 3.5Å; R59-R63 PolarHBondContact O-N 3.12Å; R59-R63 PolarHBondContact O-NH1 3.15Å; R59-L93 HydrophobicContact CG-CD1 3.67Å; R59-L93 HydrophobicContact CG-CD2 4.25Å; R59-E134 IonicContact CZ-OE1 3.86Å; R59-E134 VanDerWaalsContact CZ-OE1 3.31Å; R59-E134 IonicContact CZ-OE2 3.23Å; R59-E134 IonicContact NE-OE1 2.63Å; R59-E134 PolarHBondContact NE-OE1 2.83Å; R59-E134 IonicContact NE-OE2 3.98Å; R59-E134 PolarHBondContact NE-OE2 3.43Å; R59-E134 IonicContact NH2-OE1 2.92Å; R59-E134 PolarHBondContact NH2-OE1 3.49Å; R59-E134 IonicContact NH2-OE2 3.16Å; R59-E134 PolarHBondContact NH2-OE2 3.08Å
60S98.2Very high96.9Very high69 Ų6950.9 Ų50.948%0.48327%0.273SS..Hα-helixtrans-63.1-48.8174.9-176.10000111.1G56 A57 R58 W62 R63 V64G56-S60 WeakPolarHBondContact O-CB 3.32Å; G56-S60 PolarHBondContact O-N 3.27Å; A57-S60 PolarHBondContact O-N 3.21Å; R58-S60 VanDerWaalsContact C-N 3.34Å; R58-S60 PolarHBondContact O-N 3.07Å; S60-W62 VanDerWaalsContact C-N 3.29Å; S60-W62 PolarHBondContact O-N 3.26Å; S60-R63 PolarHBondContact O-N 3.35Å; S60-V64 WeakPolarHBondContact O-CG2 3.41Å; S60-V64 PolarHBondContact O-N 3.19Å; S60-V64 VanDerWaalsContact O-N 3.14Å
61S98.2Very high96.5Very high57 Ų5756.8 Ų56.840%0.39930%0.298SS..Hα-helixtrans-57.7-42.9176.9-58.90000111.9A57 R58 V64 I65A57-S61 WeakPolarHBondContact O-CB 3.29Å; A57-S61 PolarHBondContact O-N 3.47Å; A57-S61 PolarHBondContact O-OG 3.17Å; R58-S61 PolarHBondContact O-N 3.15Å; S61-V64 PolarHBondContact O-N 3.42Å; S61-I65 WeakPolarHBondContact O-CG2 3.39Å; S61-I65 PolarHBondContact O-N 3.1Å
62W98.2Very high95.5Very high44 Ų4463 Ų6317%0.16734%0.336CS..Hα-helixtrans-61.4-48.1177.5179.579.3000112.2R58 R59 S60 V64 I65 S66 V89 E90 E134 V135R58-W62 WeakPolarHBondContact O-CB 3.32Å; R58-W62 PolarHBondContact O-N 3.26Å; R59-W62 PolarHBondContact O-N 3.25Å; S60-W62 VanDerWaalsContact C-N 3.29Å; S60-W62 PolarHBondContact O-N 3.26Å; W62-V64 VanDerWaalsContact C-N 3.31Å; W62-V64 PolarHBondContact O-N 2.99Å; W62-I65 WeakPolarHBondContact O-CG2 3.4Å; W62-I65 PolarHBondContact O-N 3.24Å; W62-S66 VanDerWaalsContact O-CB 3.3Å; W62-S66 WeakPolarHBondContact O-CB 3.24Å; W62-S66 PolarHBondContact O-N 2.83Å; W62-S66 PolarHBondContact O-OG 2.98Å; W62-V89 HydrophobicContact CB-CG1 3.82Å; W62-E90 VanDerWaalsContact CD1-CG 3.44Å; W62-E90 PolarHBondContact NE1-OE1 3.5Å; W62-E134 VanDerWaalsContact CH2-O 3.28Å; W62-E134 WeakPolarHBondContact CH2-O 3.12Å; W62-V135 HydrophobicContact CD2-CG1 3.78Å; W62-V135 HydrophobicContact CE3-CG1 4.29Å; W62-V135 HydrophobicContact CG-CG1 4.12Å; W62-V135 HydrophobicContact CH2-CG1 4.38Å; W62-V135 HydrophobicContact CZ2-CB 4.47Å; W62-V135 HydrophobicContact CZ2-CG1 3.9Å
63R97.4Very high94.9Very high104 Ų10465.8 Ų65.839%0.39235%0.352SS..Hα-helixtrans-57.5-45177.2-74.1-176.6179.177.112.6112.1R59 S60 S67 E134R59-R63 WeakPolarHBondContact O-CG 3.5Å; R59-R63 PolarHBondContact O-N 3.12Å; R59-R63 PolarHBondContact O-NH1 3.15Å; S60-R63 PolarHBondContact O-N 3.35Å; R63-S67 WeakPolarHBondContact O-CB 3.2Å; R63-S67 PolarHBondContact O-N 3.44Å; R63-E134 IonicContact CZ-OE2 3.7Å; R63-E134 IonicContact NH2-OE2 3.2Å; R63-E134 PolarHBondContact NH2-OE2 3.38Å
64V96.9Very high94.1Very high85 Ų8563.8 Ų63.852%0.51534%0.343SS..Hα-helixtrans-63.9-48.6-179.8173.50000111S60 S61 W62 S67 I68S60-V64 WeakPolarHBondContact O-CG2 3.41Å; S60-V64 PolarHBondContact O-N 3.19Å; S60-V64 VanDerWaalsContact O-N 3.14Å; S61-V64 PolarHBondContact O-N 3.42Å; W62-V64 VanDerWaalsContact C-N 3.31Å; W62-V64 PolarHBondContact O-N 2.99Å; V64-S67 PolarHBondContact O-N 2.69Å; V64-I68 HydrophobicContact CG1-CD1 3.94Å; V64-I68 WeakPolarHBondContact O-CG1 3.36Å; V64-I68 PolarHBondContact O-N 3.36Å
65I96.6Very high93.7Very high20 Ų2067.1 Ų67.110%0.10337%0.366CS..Hα-helixtrans-69.8-36.7-177.8-166.567.6000112.3S61 W62 S67 I68 E69 A82 Y85 R86S61-I65 WeakPolarHBondContact O-CG2 3.39Å; S61-I65 PolarHBondContact O-N 3.1Å; W62-I65 WeakPolarHBondContact O-CG2 3.4Å; W62-I65 PolarHBondContact O-N 3.24Å; I65-S67 VanDerWaalsContact C-N 3.32Å; I65-S67 PolarHBondContact O-N 3.11Å; I65-I68 HydrophobicContact CD1-CB 4.43Å; I65-I68 HydrophobicContact CD1-CD1 4.4Å; I65-I68 PolarHBondContact O-N 3.26Å; I65-I68 VanDerWaalsContact O-N 3.14Å; I65-E69 PolarHBondContact O-N 2.92Å; I65-A82 HydrophobicContact CD1-CB 4.01Å; I65-A82 HydrophobicContact CG1-CB 4.43Å; I65-A82 VanDerWaalsContact CG1-O 3.31Å; I65-A82 WeakPolarHBondContact CG1-O 3.49Å; I65-Y85 HydrophobicContact CB-CD1 4.42Å; I65-Y85 HydrophobicContact CD1-CD1 3.96Å; I65-Y85 HydrophobicContact CG1-CD1 3.93Å; I65-R86 HydrophobicContact CG1-CB 4.26Å; I65-R86 HydrophobicContact CG2-CB 3.76Å; I65-R86 HydrophobicContact CG2-CG 4.04Å
66S95.4Very high93.3Very high15 Ų1570.9 Ų70.911%0.10540%0.398CS..Hα-helixtrans-60.1-42.3172.9-65.50000111.5W62 E69 Q70 R86W62-S66 VanDerWaalsContact O-CB 3.3Å; W62-S66 WeakPolarHBondContact O-CB 3.24Å; W62-S66 PolarHBondContact O-N 2.83Å; W62-S66 PolarHBondContact O-OG 2.98Å; S66-E69 PolarHBondContact O-N 2.89Å; S66-Q70 WeakPolarHBondContact O-CG 3.38Å; S66-Q70 PolarHBondContact O-N 3.16Å; S66-Q70 VanDerWaalsContact O-N 3.16Å; S66-R86 WeakPolarHBondContact OG-CD 3.49Å
67S94.8Very high93Very high60 Ų6076.3 Ų76.342%0.4241%0.41SS..Hα-helixtrans-63.2-40.7173.6-179.80000112.1R63 V64 I65 Q70 K71R63-S67 WeakPolarHBondContact O-CB 3.2Å; R63-S67 PolarHBondContact O-N 3.44Å; V64-S67 PolarHBondContact O-N 2.69Å; I65-S67 VanDerWaalsContact C-N 3.32Å; I65-S67 PolarHBondContact O-N 3.11Å; S67-Q70 PolarHBondContact O-N 3.43Å; S67-K71 WeakPolarHBondContact O-CG 3.37Å; S67-K71 PolarHBondContact O-N 2.97Å
68I93.5Very high92.8Very high55 Ų5579.6 Ų79.628%0.28242%0.415SS..Hα-helixtrans-64.8-40.9176.8-68.2166.3000111.5V64 I65 Q70 K71 A82V64-I68 HydrophobicContact CG1-CD1 3.94Å; V64-I68 WeakPolarHBondContact O-CG1 3.36Å; V64-I68 PolarHBondContact O-N 3.36Å; I65-I68 HydrophobicContact CD1-CB 4.43Å; I65-I68 HydrophobicContact CD1-CD1 4.4Å; I65-I68 PolarHBondContact O-N 3.26Å; I65-I68 VanDerWaalsContact O-N 3.14Å; I68-Q70 VanDerWaalsContact C-N 3.29Å; I68-Q70 PolarHBondContact O-N 3.37Å; I68-K71 PolarHBondContact O-N 3.09Å; I68-A82 HydrophobicContact CG2-CB 4.17Å
69E93.1Very high92.6Very high26 Ų2680.2 Ų80.212%0.12142%0.42CS..Hα-helixtrans-60.8-39.4177.2-175.2-178.3172.400111.5I65 S66 K71 A82 R83 R86I65-E69 PolarHBondContact O-N 2.92Å; S66-E69 PolarHBondContact O-N 2.89Å; E69-K71 VanDerWaalsContact C-N 3.33Å; E69-K71 PolarHBondContact O-N 2.95Å; E69-A82 HydrophobicContact CB-CB 3.93Å; E69-A82 HydrophobicContact CG-CB 4.46Å; E69-R83 HydrophobicContact CG-CB 4.48Å; E69-R83 WeakPolarHBondContact OE1-CB 3.2Å; E69-R83 IonicContact OE1-CZ 3.37Å; E69-R83 IonicContact OE1-NE 2.83Å; E69-R83 PolarHBondContact OE1-NE 2.94Å; E69-R83 IonicContact OE1-NH2 3.08Å; E69-R83 PolarHBondContact OE1-NH2 3.19Å; E69-R83 VanDerWaalsContact OE1-NH2 3.08Å; E69-R86 IonicContact OE1-NH2 3.9Å; E69-R86 IonicContact OE2-CZ 3.81Å; E69-R86 IonicContact OE2-NE 3.2Å; E69-R86 PolarHBondContact OE2-NE 3.04Å; E69-R86 IonicContact OE2-NH2 3.49Å; E69-R86 PolarHBondContact OE2-NH2 2.9Å
70Q90.1Very high92.4Very high160 Ų16082.7 Ų82.775%0.74843%0.434SS*.Hα-helixtrans-76.8-12.1-177.6-70.2174.9-2.400114.6S66 S67 I68 T72S66-Q70 WeakPolarHBondContact O-CG 3.38Å; S66-Q70 PolarHBondContact O-N 3.16Å; S66-Q70 VanDerWaalsContact O-N 3.16Å; S67-Q70 PolarHBondContact O-N 3.43Å; I68-Q70 VanDerWaalsContact C-N 3.29Å; I68-Q70 PolarHBondContact O-N 3.37Å; Q70-T72 PolarHBondContact O-N 3.43Å
71K89.9Confident92.3Very high125 Ų12583.3 Ų83.354%0.54343%0.431SS..  trans-67.1122-179.4-76.5179.4-176.4-172.30111.4S67 I68 E69 E73 A74S67-K71 WeakPolarHBondContact O-CG 3.37Å; S67-K71 PolarHBondContact O-N 2.97Å; I68-K71 PolarHBondContact O-N 3.09Å; E69-K71 VanDerWaalsContact C-N 3.33Å; E69-K71 PolarHBondContact O-N 2.95Å; K71-E73 VanDerWaalsContact C-N 3.33Å; K71-E73 PolarHBondContact O-N 3.48Å; K71-A74 WeakPolarHBondContact O-CB 3.41Å; K71-A74 PolarHBondContact O-N 3.41Å
72T77.4Confident92.2Very high131 Ų13180.8 Ų80.880%0.80441%0.414SS*.THydrogen-bonded Turntrans-66-28.1-174.5480000114.4Q70 A74Q70-T72 PolarHBondContact O-N 3.43Å; T72-A74 VanDerWaalsContact C-N 3.27Å; T72-A74 PolarHBondContact O-N 3.14Å
73E86.1Confident92.1Very high194 Ų19484.9 Ų84.991%0.90743%0.429SS*.THydrogen-bonded Turntrans-80.2-3.4-178.5-61179.517200114K71K71-E73 VanDerWaalsContact C-N 3.33Å; K71-E73 PolarHBondContact O-N 3.48Å
74A79.9Confident92.1Very high16 Ų1684.4 Ų84.413%0.13243%0.431CS..SBendtrans-75.5137.9-179.300000111.5K71 T72 K78 Q79K71-A74 WeakPolarHBondContact O-CB 3.41Å; K71-A74 PolarHBondContact O-N 3.41Å; T72-A74 VanDerWaalsContact C-N 3.27Å; T72-A74 PolarHBondContact O-N 3.14Å; A74-K78 HydrophobicContact CB-CB 4.23Å; A74-K78 HydrophobicContact CB-CD 4.01Å; A74-K78 HydrophobicContact CB-CG 4.2Å; A74-Q79 HydrophobicContact CB-CG 3.78Å; A74-Q79 PolarHBondContact O-NE2 3.15Å
75S90.1Very high92.2Very high75 Ų7586.3 Ų86.352%0.52443%0.43SS..  trans-59.4152.2170.568.90000110.9R77 K78 Q79S75-R77 PolarHBondContact O-N 3.37Å; S75-R77 VanDerWaalsContact O-N 3.09Å; S75-K78 WeakPolarHBondContact O-CA 3.48Å; S75-K78 WeakPolarHBondContact O-CB 3.21Å; S75-K78 PolarHBondContact O-N 2.84Å; S75-K78 PolarHBondContact OG-N 3Å; S75-Q79 PolarHBondContact O-N 2.89Å
76A90.8Very high92.2Very high80 Ų8087.5 Ų87.566%0.66143%0.433SS*.Hα-helixtrans-51.9-36.8176.500000112.3Q79 Q80A76-Q79 PolarHBondContact O-N 3.07Å; A76-Q80 WeakPolarHBondContact O-CB 3.47Å; A76-Q80 PolarHBondContact O-N 3.38Å
77R92.7Very high92.3Very high141 Ų14191.2 Ų91.253%0.53245%0.449SS..Hα-helixtrans-65.8-41.2175.5-176.557.2177.7166.64.1112.7S75 Q80 L81S75-R77 PolarHBondContact O-N 3.37Å; S75-R77 VanDerWaalsContact O-N 3.09Å; R77-Q80 PolarHBondContact O-N 3.2Å; R77-L81 HydrophobicContact CG-CD1 4.31Å; R77-L81 WeakPolarHBondContact O-CG 3.43Å; R77-L81 PolarHBondContact O-N 3.37Å
78K92.4Very high92.5Very high118 Ų11895.5 Ų95.551%0.51346%0.456SS..Hα-helixtrans-68.1-39.8177.8-176.1176.7178.1-178.20111.4A74 S75 L81 A82A74-K78 HydrophobicContact CB-CB 4.23Å; A74-K78 HydrophobicContact CB-CD 4.01Å; A74-K78 HydrophobicContact CB-CG 4.2Å; S75-K78 WeakPolarHBondContact O-CA 3.48Å; S75-K78 WeakPolarHBondContact O-CB 3.21Å; S75-K78 PolarHBondContact O-N 2.84Å; S75-K78 PolarHBondContact OG-N 3Å; K78-L81 PolarHBondContact O-N 3Å; K78-A82 WeakPolarHBondContact O-CB 3.37Å; K78-A82 PolarHBondContact O-N 3.45Å
79Q93.8Very high92.7Very high72 Ų7293.1 Ų93.134%0.33644%0.444SS..Hα-helixtrans-62.1-44.6174.4-69.7177.6-9.400111.5A74 S75 A76 A82 R83A74-Q79 HydrophobicContact CB-CG 3.78Å; A74-Q79 PolarHBondContact O-NE2 3.15Å; S75-Q79 PolarHBondContact O-N 2.89Å; A76-Q79 PolarHBondContact O-N 3.07Å; Q79-A82 PolarHBondContact O-N 2.89Å; Q79-R83 PolarHBondContact O-N 2.67Å
80Q94.9Very high93Very high90 Ų9093 Ų9342%0.42144%0.444SS..Hα-helixtrans-59.1-49175.2-175.9-171.4-0.400111.9A76 R77 A82 R83 E84A76-Q80 WeakPolarHBondContact O-CB 3.47Å; A76-Q80 PolarHBondContact O-N 3.38Å; R77-Q80 PolarHBondContact O-N 3.2Å; Q80-A82 VanDerWaalsContact C-N 3.29Å; Q80-A82 PolarHBondContact O-N 3.24Å; Q80-R83 WeakPolarHBondContact O-CB 3.37Å; Q80-R83 PolarHBondContact O-N 2.81Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.43Å; Q80-E84 PolarHBondContact NE2-OE1 2.78Å; Q80-E84 WeakPolarHBondContact O-CG 3.03Å; Q80-E84 PolarHBondContact O-N 3.32Å
81L96Very high93.3Very high81 Ų8190.9 Ų90.942%0.42443%0.432SS..Hα-helixtrans-62.2-37.8178.4-71.2171000112.1R77 K78 Y85R77-L81 HydrophobicContact CG-CD1 4.31Å; R77-L81 WeakPolarHBondContact O-CG 3.43Å; R77-L81 PolarHBondContact O-N 3.37Å; K78-L81 PolarHBondContact O-N 3Å; L81-Y85 WeakPolarHBondContact O-CB 3.49Å; L81-Y85 PolarHBondContact O-N 3.46Å; L81-Y85 VanDerWaalsContact O-N 3.07Å
82A96.1Very high93.8Very high5 Ų587.3 Ų87.34%0.04142%0.417CS..Hα-helixtrans-64.6-42.6176.100000111.6I65 I68 E69 K78 Q79 Q80 Y85 R86I65-A82 HydrophobicContact CD1-CB 4.01Å; I65-A82 HydrophobicContact CG1-CB 4.43Å; I65-A82 VanDerWaalsContact CG1-O 3.31Å; I65-A82 WeakPolarHBondContact CG1-O 3.49Å; I68-A82 HydrophobicContact CG2-CB 4.17Å; E69-A82 HydrophobicContact CB-CB 3.93Å; E69-A82 HydrophobicContact CG-CB 4.46Å; K78-A82 WeakPolarHBondContact O-CB 3.37Å; K78-A82 PolarHBondContact O-N 3.45Å; Q79-A82 PolarHBondContact O-N 2.89Å; Q80-A82 VanDerWaalsContact C-N 3.29Å; Q80-A82 PolarHBondContact O-N 3.24Å; A82-Y85 PolarHBondContact O-N 3.38Å; A82-R86 WeakPolarHBondContact O-CB 3.36Å; A82-R86 PolarHBondContact O-N 3.14Å
83R96.4Very high94.7Very high130 Ų13081.1 Ų81.149%0.49138%0.379SS..Hα-helixtrans-60-52174.5178.4172.9-61.9-157.80.6112.5E69 Q79 Q80 Y85 R86 E87E69-R83 HydrophobicContact CG-CB 4.48Å; E69-R83 WeakPolarHBondContact OE1-CB 3.2Å; E69-R83 IonicContact OE1-CZ 3.37Å; E69-R83 IonicContact OE1-NE 2.83Å; E69-R83 PolarHBondContact OE1-NE 2.94Å; E69-R83 IonicContact OE1-NH2 3.08Å; E69-R83 PolarHBondContact OE1-NH2 3.19Å; E69-R83 VanDerWaalsContact OE1-NH2 3.08Å; Q79-R83 PolarHBondContact O-N 2.67Å; Q80-R83 WeakPolarHBondContact O-CB 3.37Å; Q80-R83 PolarHBondContact O-N 2.81Å; R83-Y85 PolarHBondContact O-N 3.43Å; R83-R86 WeakPolarHBondContact O-CB 3.46Å; R83-R86 PolarHBondContact O-N 2.78Å; R83-R86 VanDerWaalsContact O-N 3.12Å; R83-E87 HydrophobicContact CG-CG 4.48Å; R83-E87 WeakPolarHBondContact CG-OE1 3.41Å; R83-E87 WeakPolarHBondContact O-CG 3.37Å; R83-E87 PolarHBondContact O-N 3.41Å
84E97.6Very high95.3Very high93 Ų9377.8 Ų77.844%0.43536%0.358SS..Hα-helixtrans-57.5-39.6179.6-72.1170.3-171.400111Q80 R88Q80-E84 WeakPolarHBondContact CG-OE1 3.43Å; Q80-E84 PolarHBondContact NE2-OE1 2.78Å; Q80-E84 WeakPolarHBondContact O-CG 3.03Å; Q80-E84 PolarHBondContact O-N 3.32Å; E84-R88 PolarHBondContact O-N 3.24Å
85Y97.8Very high96.2Very high125 Ų12582.3 Ų82.349%0.4938%0.377SS..Hα-helixtrans-72.2-39.3176.6-161.7-107.8000112.8I65 L81 A82 R83 R88 V89I65-Y85 HydrophobicContact CB-CD1 4.42Å; I65-Y85 HydrophobicContact CD1-CD1 3.96Å; I65-Y85 HydrophobicContact CG1-CD1 3.93Å; L81-Y85 WeakPolarHBondContact O-CB 3.49Å; L81-Y85 PolarHBondContact O-N 3.46Å; L81-Y85 VanDerWaalsContact O-N 3.07Å; A82-Y85 PolarHBondContact O-N 3.38Å; R83-Y85 PolarHBondContact O-N 3.43Å; Y85-R88 WeakPolarHBondContact O-CB 3.45Å; Y85-R88 PolarHBondContact O-N 2.93Å; Y85-V89 HydrophobicContact CD1-CG2 4.32Å; Y85-V89 HydrophobicContact CE1-CG2 4.13Å; Y85-V89 WeakPolarHBondContact O-CG2 3.22Å; Y85-V89 PolarHBondContact O-N 3.44Å
86R97.5Very high96.6Very high45 Ų4579.8 Ų79.817%0.1736%0.357CS..Hα-helixtrans-57.2-50.3173.2-178.5-17654.473.96.9111I65 S66 E69 A82 R83 R88 V89 E90I65-R86 HydrophobicContact CG1-CB 4.26Å; I65-R86 HydrophobicContact CG2-CB 3.76Å; I65-R86 HydrophobicContact CG2-CG 4.04Å; S66-R86 WeakPolarHBondContact OG-CD 3.49Å; E69-R86 IonicContact OE1-NH2 3.9Å; E69-R86 IonicContact OE2-CZ 3.81Å; E69-R86 IonicContact OE2-NE 3.2Å; E69-R86 PolarHBondContact OE2-NE 3.04Å; E69-R86 IonicContact OE2-NH2 3.49Å; E69-R86 PolarHBondContact OE2-NH2 2.9Å; A82-R86 WeakPolarHBondContact O-CB 3.36Å; A82-R86 PolarHBondContact O-N 3.14Å; R83-R86 WeakPolarHBondContact O-CB 3.46Å; R83-R86 PolarHBondContact O-N 2.78Å; R83-R86 VanDerWaalsContact O-N 3.12Å; R86-R88 VanDerWaalsContact C-N 3.26Å; R86-R88 PolarHBondContact O-N 3.41Å; R86-V89 PolarHBondContact O-N 3.24Å; R86-E90 HydrophobicContact CG-CG 4.42Å; R86-E90 IonicContact CZ-OE1 3.44Å; R86-E90 IonicContact NH1-OE1 3.04Å; R86-E90 PolarHBondContact NH1-OE1 2.93Å; R86-E90 IonicContact NH1-OE2 3.03Å; R86-E90 PolarHBondContact NH1-OE2 2.85Å; R86-E90 WeakPolarHBondContact O-CG 3.34Å; R86-E90 PolarHBondContact O-N 2.98Å
87E97.7Very high97Very high94 Ų9476 Ų7644%0.43933%0.325SS..Hα-helixtrans-60.9-35.3-179.7-71.6172.4-175.800112.2R83 E90 K91R83-E87 HydrophobicContact CG-CG 4.48Å; R83-E87 WeakPolarHBondContact CG-OE1 3.41Å; R83-E87 WeakPolarHBondContact O-CG 3.37Å; R83-E87 PolarHBondContact O-N 3.41Å; E87-E90 PolarHBondContact O-N 3.12Å; E87-K91 PolarHBondContact O-N 3.42Å
88R98.3Very high97.3Very high150 Ų15075.1 Ų75.157%0.56632%0.323SS*.Hα-helixtrans-62.9-48.6171.5177.8-179.1171.4166.81111.7E84 Y85 R86 E90 K91 E92E84-R88 PolarHBondContact O-N 3.24Å; Y85-R88 WeakPolarHBondContact O-CB 3.45Å; Y85-R88 PolarHBondContact O-N 2.93Å; R86-R88 VanDerWaalsContact C-N 3.26Å; R86-R88 PolarHBondContact O-N 3.41Å; R88-E90 VanDerWaalsContact C-N 3.29Å; R88-E90 PolarHBondContact O-N 3.47Å; R88-K91 WeakPolarHBondContact O-CB 3.06Å; R88-K91 PolarHBondContact O-N 3.03Å; R88-E92 IonicContact CZ-OE1 3.54Å; R88-E92 IonicContact NE-OE1 2.7Å; R88-E92 PolarHBondContact NE-OE1 2.92Å; R88-E92 IonicContact NH2-OE1 2.91Å; R88-E92 WeakPolarHBondContact O-CG 3.18Å; R88-E92 PolarHBondContact O-N 2.95Å
89V98.3Very high97.6Very high4 Ų472.7 Ų72.72%0.02431%0.313CS..Hα-helixtrans-62.5-38.7178.5177.30000111R58 W62 Y85 R86 K91 E92 L93R58-V89 HydrophobicContact CB-CG1 4.36Å; R58-V89 WeakPolarHBondContact O-CG1 3.42Å; W62-V89 HydrophobicContact CB-CG1 3.82Å; Y85-V89 HydrophobicContact CD1-CG2 4.32Å; Y85-V89 HydrophobicContact CE1-CG2 4.13Å; Y85-V89 WeakPolarHBondContact O-CG2 3.22Å; Y85-V89 PolarHBondContact O-N 3.44Å; R86-V89 PolarHBondContact O-N 3.24Å; V89-K91 VanDerWaalsContact C-N 3.34Å; V89-K91 PolarHBondContact O-N 2.97Å; V89-E92 PolarHBondContact O-N 3.23Å; V89-L93 WeakPolarHBondContact O-CB 3.37Å; V89-L93 PolarHBondContact O-N 3.26Å
90E98.3Very high97.8Very high25 Ų2569.4 Ų69.412%0.11730%0.298CS..Hα-helixtrans-63-39.2174.9-70.2174.5175.400112.4W62 R86 E87 R88 R94 V135W62-E90 VanDerWaalsContact CD1-CG 3.44Å; W62-E90 PolarHBondContact NE1-OE1 3.5Å; R86-E90 HydrophobicContact CG-CG 4.42Å; R86-E90 IonicContact CZ-OE1 3.44Å; R86-E90 IonicContact NH1-OE1 3.04Å; R86-E90 PolarHBondContact NH1-OE1 2.93Å; R86-E90 IonicContact NH1-OE2 3.03Å; R86-E90 PolarHBondContact NH1-OE2 2.85Å; R86-E90 WeakPolarHBondContact O-CG 3.34Å; R86-E90 PolarHBondContact O-N 2.98Å; E87-E90 PolarHBondContact O-N 3.12Å; R88-E90 VanDerWaalsContact C-N 3.29Å; R88-E90 PolarHBondContact O-N 3.47Å; E90-R94 WeakPolarHBondContact O-CB 3.36Å; E90-R94 VanDerWaalsContact O-CG 3.27Å; E90-R94 WeakPolarHBondContact O-CG 3.17Å; E90-R94 PolarHBondContact O-N 3.26Å; E90-V135 HydrophobicContact CG-CB 4.01Å; E90-V135 HydrophobicContact CG-CG1 4.23Å
91K98.3Very high98Very high115 Ų11565.3 Ų65.350%0.528%0.279SS..Hα-helixtrans-62-50173.6-178.7-179.5169.5-177.90111.1E87 R88 V89 L93 R94 E95E87-K91 PolarHBondContact O-N 3.42Å; R88-K91 WeakPolarHBondContact O-CB 3.06Å; R88-K91 PolarHBondContact O-N 3.03Å; V89-K91 VanDerWaalsContact C-N 3.34Å; V89-K91 PolarHBondContact O-N 2.97Å; K91-L93 VanDerWaalsContact C-N 3.32Å; K91-L93 PolarHBondContact O-N 3.25Å; K91-R94 PolarHBondContact O-N 3Å; K91-E95 WeakPolarHBondContact CE-OE1 3.13Å; K91-E95 IonicContact NZ-OE1 3.9Å; K91-E95 WeakPolarHBondContact O-CG 3.32Å; K91-E95 PolarHBondContact O-N 3.34Å
92E98.4Very high98.1Very high50 Ų5063.2 Ų63.223%0.23428%0.277CS..Hα-helixtrans-59.1-44.3178-67.7173.8-165.900111.2R58 R88 V89 R94 E95 I96R58-E92 HydrophobicContact CG-CB 4.29Å; R58-E92 IonicContact NE-OE2 3.51Å; R88-E92 IonicContact CZ-OE1 3.54Å; R88-E92 IonicContact NE-OE1 2.7Å; R88-E92 PolarHBondContact NE-OE1 2.92Å; R88-E92 IonicContact NH2-OE1 2.91Å; R88-E92 WeakPolarHBondContact O-CG 3.18Å; R88-E92 PolarHBondContact O-N 2.95Å; V89-E92 PolarHBondContact O-N 3.23Å; E92-R94 PolarHBondContact O-N 3.08Å; E92-E95 PolarHBondContact O-N 3.23Å; E92-I96 WeakPolarHBondContact O-CD1 3.48Å; E92-I96 WeakPolarHBondContact O-CG1 3.48Å; E92-I96 PolarHBondContact O-N 3.21Å
93L98.4Very high98.2Very high1 Ų163.2 Ų63.21%0.00528%0.277CS..Hα-helixtrans-59.5-46.8176.4-174.972.4000111.7V55 R58 R59 V89 K91 E95 I96 C97 V135V55-L93 HydrophobicContact CG2-CD1 3.43Å; V55-L93 VanDerWaalsContact CG2-CD1 3.43Å; R58-L93 HydrophobicContact CB-CB 4.4Å; R58-L93 HydrophobicContact CB-CD1 3.94Å; R59-L93 HydrophobicContact CG-CD1 3.67Å; R59-L93 HydrophobicContact CG-CD2 4.25Å; V89-L93 WeakPolarHBondContact O-CB 3.37Å; V89-L93 PolarHBondContact O-N 3.26Å; K91-L93 VanDerWaalsContact C-N 3.32Å; K91-L93 PolarHBondContact O-N 3.25Å; L93-E95 PolarHBondContact O-N 2.96Å; L93-I96 PolarHBondContact O-N 3.29Å; L93-C97 WeakPolarHBondContact O-CB 3.43Å; L93-C97 PolarHBondContact O-N 3.32Å; L93-C97 PolarHBondContact O-SG 3.37Å; L93-V135 HydrophobicContact CD2-CB 4.39Å; L93-V135 HydrophobicContact CD2-CG1 3.5Å; L93-V135 VanDerWaalsContact CD2-CG1 3.5Å; L93-V135 HydrophobicContact CD2-CG2 3.95Å
94R98.4Very high98.4Very high124 Ų12457 Ų5747%0.46825%0.253SS..Hα-helixtrans-61.6-43.6178-76-174.2-65.1163.7-3.1112E90 K91 E92 C97 Y98 L132E90-R94 WeakPolarHBondContact O-CB 3.36Å; E90-R94 VanDerWaalsContact O-CG 3.27Å; E90-R94 WeakPolarHBondContact O-CG 3.17Å; E90-R94 PolarHBondContact O-N 3.26Å; K91-R94 PolarHBondContact O-N 3Å; E92-R94 PolarHBondContact O-N 3.08Å; R94-C97 PolarHBondContact O-N 3.45Å; R94-Y98 HydrophobicContact CB-CD2 4.4Å; R94-Y98 HydrophobicContact CB-CE2 4.47Å; R94-Y98 WeakPolarHBondContact O-CD2 3.46Å; R94-Y98 PolarHBondContact O-N 2.96Å; R94-L132 HydrophobicContact CB-CD2 4.13Å; R94-L132 HydrophobicContact CG-CD2 3.68Å
95E98.5Very high98.4Very high111 Ų11155.8 Ų55.852%0.51925%0.25SC..Hα-helixtrans-60.1-46.8178.2-73.2171.3175.600111.3K91 E92 L93 Y98 E99K91-E95 WeakPolarHBondContact CE-OE1 3.13Å; K91-E95 IonicContact NZ-OE1 3.9Å; K91-E95 WeakPolarHBondContact O-CG 3.32Å; K91-E95 PolarHBondContact O-N 3.34Å; E92-E95 PolarHBondContact O-N 3.23Å; L93-E95 PolarHBondContact O-N 2.96Å; E95-Y98 PolarHBondContact O-N 3.21Å; E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.36Å
96I98.5Very high98.4Very high21 Ų2156.5 Ų56.511%0.10826%0.255CS..Hα-helixtrans-62-46.5176.4-65.4155.6000111Y51 V54 V55 R58 E92 L93 E99 V100Y51-I96 HydrophobicContact CD1-CG2 4.2Å; V54-I96 HydrophobicContact CG1-CD1 3.66Å; V54-I96 HydrophobicContact CG1-CG1 4.05Å; V54-I96 HydrophobicContact CG1-CG2 4.05Å; V55-I96 HydrophobicContact CB-CG2 4.26Å; V55-I96 HydrophobicContact CG2-CG2 4.49Å; R58-I96 HydrophobicContact CG-CD1 4.04Å; E92-I96 WeakPolarHBondContact O-CD1 3.48Å; E92-I96 WeakPolarHBondContact O-CG1 3.48Å; E92-I96 PolarHBondContact O-N 3.21Å; L93-I96 PolarHBondContact O-N 3.29Å; I96-E99 PolarHBondContact O-N 3Å; I96-V100 WeakPolarHBondContact O-CG2 3.33Å; I96-V100 PolarHBondContact O-N 3.09Å; I96-V100 VanDerWaalsContact O-N 3.11Å
97C98.7Very high98.5Very high0 Ų056.3 Ų56.30%026%0.255CS..Hα-helixtrans-62.5-46.9-179.8-70.80000112L93 R94 E99 V100 L101 Y128 L132L93-C97 WeakPolarHBondContact O-CB 3.43Å; L93-C97 PolarHBondContact O-N 3.32Å; L93-C97 PolarHBondContact O-SG 3.37Å; R94-C97 PolarHBondContact O-N 3.45Å; C97-E99 VanDerWaalsContact C-N 3.31Å; C97-E99 PolarHBondContact O-N 3.47Å; C97-V100 PolarHBondContact O-N 3.35Å; C97-L101 WeakPolarHBondContact O-CB 3.27Å; C97-L101 WeakPolarHBondContact O-CG 3.46Å; C97-L101 PolarHBondContact O-N 2.88Å; C97-Y128 HydrophobicContact CB-CD1 4.13Å; C97-L132 HydrophobicContact CB-CD1 3.98Å; C97-L132 HydrophobicContact CB-CD2 3.65Å; C97-L132 HydrophobicContact CB-CG 3.65Å
98Y98.6Very high98.5Very high123 Ų12352.1 Ų52.148%0.48224%0.236SC..Hα-helixtrans-69.4-28179.3-75.7-58.5000113.4R94 E95 L101 G102 L132R94-Y98 HydrophobicContact CB-CD2 4.4Å; R94-Y98 HydrophobicContact CB-CE2 4.47Å; R94-Y98 WeakPolarHBondContact O-CD2 3.46Å; R94-Y98 PolarHBondContact O-N 2.96Å; E95-Y98 PolarHBondContact O-N 3.21Å; Y98-L101 HydrophobicContact CD1-CD1 3.82Å; Y98-L101 HydrophobicContact CE1-CD1 4.13Å; Y98-G102 PolarHBondContact O-N 3.26Å; Y98-L132 HydrophobicContact CD1-CD1 4.37Å; Y98-L132 HydrophobicContact CE1-CD1 3.9Å; Y98-L132 HydrophobicContact CE2-CD1 4.28Å; Y98-L132 HydrophobicContact CE2-CD2 4.15Å
99E98.6Very high98.5Very high67 Ų6746.4 Ų46.431%0.31322%0.216SC..Hα-helixtrans-60.5-50.9168.8176.4167.3100.600111K30 Y51 E95 I96 C97 G102 L103K30-E99 HydrophobicContact CD-CG 4.29Å; K30-E99 IonicContact NZ-OE2 2.67Å; K30-E99 PolarHBondContact NZ-OE2 2.92Å; Y51-E99 HydrophobicContact CE1-CG 4.38Å; Y51-E99 WeakPolarHBondContact CE1-OE1 3.25Å; Y51-E99 PolarHBondContact OH-OE1 3.38Å; E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.36Å; I96-E99 PolarHBondContact O-N 3Å; C97-E99 VanDerWaalsContact C-N 3.31Å; C97-E99 PolarHBondContact O-N 3.47Å; E99-G102 PolarHBondContact O-N 3.1Å; E99-L103 WeakPolarHBondContact O-CG 3.3Å; E99-L103 PolarHBondContact O-N 3.05Å
100V98.7Very high98.5Very high3 Ų350.6 Ų50.62%0.01824%0.243CC..Hα-helixtrans-62.6-45.7178.5174.20000111.7Y51 I96 C97 G102 L103 L104 M124 Y128Y51-V100 HydrophobicContact CD1-CG2 3.17Å; Y51-V100 HydrophobicContact CD2-CG2 3.92Å; Y51-V100 HydrophobicContact CE1-CG2 3.52Å; Y51-V100 HydrophobicContact CE2-CG2 4.22Å; Y51-V100 HydrophobicContact CG-CG2 3.38Å; I96-V100 WeakPolarHBondContact O-CG2 3.33Å; I96-V100 PolarHBondContact O-N 3.09Å; I96-V100 VanDerWaalsContact O-N 3.11Å; C97-V100 PolarHBondContact O-N 3.35Å; V100-G102 VanDerWaalsContact C-N 3.28Å; V100-G102 PolarHBondContact O-N 3.33Å; V100-L103 WeakPolarHBondContact O-CB 3.31Å; V100-L103 PolarHBondContact O-N 3.48Å; V100-L103 VanDerWaalsContact O-N 3.1Å; V100-L104 HydrophobicContact CG1-CD1 3.76Å; V100-L104 HydrophobicContact CG1-CG 4.21Å; V100-L104 VanDerWaalsContact O-CG 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.49Å; V100-L104 PolarHBondContact O-N 3.31Å; V100-M124 HydrophobicContact CG1-CE 3.78Å; V100-Y128 HydrophobicContact CB-CD1 3.98Å; V100-Y128 HydrophobicContact CB-CD2 4.31Å; V100-Y128 HydrophobicContact CB-CE1 3.99Å; V100-Y128 HydrophobicContact CB-CE2 4.39Å; V100-Y128 HydrophobicContact CB-CG 4.15Å; V100-Y128 HydrophobicContact CG1-CD1 4.13Å; V100-Y128 HydrophobicContact CG1-CD2 3.55Å; V100-Y128 HydrophobicContact CG1-CE1 4.1Å; V100-Y128 HydrophobicContact CG1-CE2 3.6Å; V100-Y128 HydrophobicContact CG1-CG 3.87Å; V100-Y128 HydrophobicContact CG2-CD1 4.2Å; V100-Y128 HydrophobicContact CG2-CE1 3.72Å
101L98.9Very high98.3Very high4 Ų453.7 Ų53.72%0.02126%0.256CS..Hα-helixtrans-58.8-41.8177-68.7168.7000111.1C97 Y98 L103 L104 D105 K125 Y129 L132C97-L101 WeakPolarHBondContact O-CB 3.27Å; C97-L101 WeakPolarHBondContact O-CG 3.46Å; C97-L101 PolarHBondContact O-N 2.88Å; Y98-L101 HydrophobicContact CD1-CD1 3.82Å; Y98-L101 HydrophobicContact CE1-CD1 4.13Å; L101-L103 PolarHBondContact O-N 3.41Å; L101-L104 PolarHBondContact O-N 2.93Å; L101-D105 WeakPolarHBondContact O-CB 3.38Å; L101-D105 PolarHBondContact O-N 3.46Å; L101-K125 HydrophobicContact CD2-CB 4.49Å; L101-K125 HydrophobicContact CD2-CG 3.77Å; L101-Y129 HydrophobicContact CD1-CD1 3.87Å; L101-Y129 HydrophobicContact CD1-CE1 3.5Å; L101-Y129 VanDerWaalsContact CD1-CE1 3.5Å; L101-Y129 HydrophobicContact CD1-CE2 4.25Å; L101-Y129 HydrophobicContact CD1-CG 4.35Å; L101-Y129 HydrophobicContact CD2-CD2 3.77Å; L101-Y129 HydrophobicContact CD2-CE1 4.32Å; L101-Y129 HydrophobicContact CD2-CE2 3.53Å; L101-Y129 HydrophobicContact CD2-CG 4.25Å; L101-Y129 HydrophobicContact CG-CE2 4.5Å; L101-L132 HydrophobicContact CD1-CD1 3.66Å
102G98.7Very high98.3Very high37 Ų3749.1 Ų49.138%0.38124%0.24SC..Hα-helixtrans-61.4-40.2173.700000113.1Y98 E99 V100 K106Y98-G102 PolarHBondContact O-N 3.26Å; E99-G102 PolarHBondContact O-N 3.1Å; V100-G102 VanDerWaalsContact C-N 3.28Å; V100-G102 PolarHBondContact O-N 3.33Å; G102-K106 WeakPolarHBondContact O-CB 3.38Å; G102-K106 PolarHBondContact O-N 2.88Å
103L98.7Very high98.1Very high6 Ų651 Ų513%0.03126%0.259CS..Hα-helixtrans-65.5-43.5174.9-67.2175.1000112.2K30 T33 E34 Y51 E99 V100 L101 Y107 L108K30-L103 HydrophobicContact CB-CD1 4.34Å; K30-L103 HydrophobicContact CG-CD1 4.1Å; K30-L103 HydrophobicContact CG-CD2 4.1Å; T33-L103 HydrophobicContact CG2-CB 4.16Å; T33-L103 HydrophobicContact CG2-CD2 4Å; E34-L103 HydrophobicContact CG-CD2 3.81Å; Y51-L103 HydrophobicContact CE2-CD1 3.96Å; Y51-L103 WeakPolarHBondContact OH-CD1 3.44Å; E99-L103 WeakPolarHBondContact O-CG 3.3Å; E99-L103 PolarHBondContact O-N 3.05Å; V100-L103 WeakPolarHBondContact O-CB 3.31Å; V100-L103 PolarHBondContact O-N 3.48Å; V100-L103 VanDerWaalsContact O-N 3.1Å; L101-L103 PolarHBondContact O-N 3.41Å; L103-Y107 HydrophobicContact CD2-CD2 3.98Å; L103-Y107 HydrophobicContact CD2-CE2 4.12Å; L103-Y107 PolarHBondContact O-N 3.44Å; L103-L108 PolarHBondContact O-N 3.02Å
104L98.8Very high98Very high0 Ų053.6 Ų53.60%027%0.273CS..Iπ-helixtrans-61-51.8178.9-71.6167000111.2V100 L101 L108 I109 Y121 M124 K125V100-L104 HydrophobicContact CG1-CD1 3.76Å; V100-L104 HydrophobicContact CG1-CG 4.21Å; V100-L104 VanDerWaalsContact O-CG 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.49Å; V100-L104 PolarHBondContact O-N 3.31Å; L101-L104 PolarHBondContact O-N 2.93Å; L104-L108 HydrophobicContact CD2-CB 4.4Å; L104-L108 HydrophobicContact CD2-CD1 3.83Å; L104-L108 HydrophobicContact CG-CD1 4.42Å; L104-L108 PolarHBondContact O-N 3.02Å; L104-I109 HydrophobicContact CB-CD1 4.04Å; L104-I109 HydrophobicContact CB-CG1 4.42Å; L104-I109 WeakPolarHBondContact O-CB 3.35Å; L104-I109 WeakPolarHBondContact O-CG1 3.32Å; L104-I109 PolarHBondContact O-N 2.97Å; L104-Y121 HydrophobicContact CD2-CD1 3.83Å; L104-Y121 HydrophobicContact CD2-CG 4.16Å; L104-M124 HydrophobicContact CD1-CB 4.32Å; L104-M124 HydrophobicContact CD1-CG 4.18Å; L104-M124 HydrophobicContact CD2-CB 4.33Å; L104-M124 HydrophobicContact CD2-CG 4.43Å; L104-M124 HydrophobicContact CD2-SD 4.11Å; L104-K125 HydrophobicContact CD1-CB 3.97Å
105D98.6Very high98Very high66 Ų6650.2 Ų50.235%0.35327%0.266SS..Iπ-helixtrans-73.1-33.7-174.7-74.5-21.4000113L101 P110 K125L101-D105 WeakPolarHBondContact O-CB 3.38Å; L101-D105 PolarHBondContact O-N 3.46Å; D105-P110 WeakPolarHBondContact O-CD 3.34Å; D105-P110 WeakPolarHBondContact O-CG 3.35Å; D105-K125 VanDerWaalsContact CG-NZ 3.34Å; D105-K125 WeakPolarHBondContact OD1-CE 3.39Å; D105-K125 IonicContact OD1-NZ 3.82Å; D105-K125 PolarHBondContact OD1-NZ 3.36Å; D105-K125 IonicContact OD2-NZ 2.67Å; D105-K125 PolarHBondContact OD2-NZ 3.06Å
106K98.2Very high97.9Very high140 Ų14048.4 Ų48.461%0.60926%0.258SS*.Iπ-helixtrans-89.3-35.1-175.7-169.8175.1176.1-163.60114G102G102-K106 WeakPolarHBondContact O-CB 3.38Å; G102-K106 PolarHBondContact O-N 2.88Å
107Y98.2Very high97.9Very high41 Ų4147.5 Ų47.516%0.16125%0.253CS..Iπ-helixtrans-122.4-35.4-168.9-56.1-78.2000114.4T33 E34 L103 K111T33-Y107 HydrophobicContact CG2-CD2 4.35Å; T33-Y107 HydrophobicContact CG2-CG 4.36Å; E34-Y107 HydrophobicContact CB-CE2 4.42Å; E34-Y107 HydrophobicContact CG-CD2 4.37Å; E34-Y107 HydrophobicContact CG-CE2 3.71Å; L103-Y107 HydrophobicContact CD2-CD2 3.98Å; L103-Y107 HydrophobicContact CD2-CE2 4.12Å; L103-Y107 PolarHBondContact O-N 3.44Å; Y107-K111 WeakPolarHBondContact O-CB 3.24Å; Y107-K111 WeakPolarHBondContact O-CD 3.32Å; Y107-K111 WeakPolarHBondContact O-CG 3.37Å
108L98.5Very high97.9Very high7 Ų751.7 Ų51.74%0.03727%0.272CS..Iπ-helixtrans-96.8-56.4-167.2-59.6168.2000113T33 L39 L47 L103 L104 K111 A112 Y121T33-L108 HydrophobicContact CG2-CD1 4.01Å; T33-L108 HydrophobicContact CG2-CD2 3.69Å; T33-L108 HydrophobicContact CG2-CG 3.74Å; L39-L108 HydrophobicContact CD1-CD2 3.63Å; L39-L108 HydrophobicContact CG-CD2 3.83Å; L47-L108 HydrophobicContact CD2-CD1 3.47Å; L47-L108 VanDerWaalsContact CD2-CD1 3.47Å; L103-L108 PolarHBondContact O-N 3.02Å; L104-L108 HydrophobicContact CD2-CB 4.4Å; L104-L108 HydrophobicContact CD2-CD1 3.83Å; L104-L108 HydrophobicContact CG-CD1 4.42Å; L104-L108 PolarHBondContact O-N 3.02Å; L108-K111 PolarHBondContact O-N 3.13Å; L108-A112 PolarHBondContact O-N 2.66Å; L108-Y121 HydrophobicContact CB-CD1 3.89Å; L108-Y121 HydrophobicContact CB-CD2 3.88Å; L108-Y121 HydrophobicContact CB-CE1 3.91Å; L108-Y121 HydrophobicContact CB-CE2 3.93Å; L108-Y121 HydrophobicContact CB-CG 3.9Å; L108-Y121 HydrophobicContact CD1-CD1 4.06Å; L108-Y121 HydrophobicContact CD1-CE1 3.91Å; L108-Y121 HydrophobicContact CD2-CE1 3.99Å; L108-Y121 HydrophobicContact CG-CD1 4.45Å; L108-Y121 HydrophobicContact CG-CE1 4.15Å
109I98.4Very high97.9Very high30 Ų3045.9 Ų45.915%0.15425%0.249CC..G310 helixtrans-61.1-46-178.1-65169.2000111.5L104 K111 A112 L122 K125L104-I109 HydrophobicContact CB-CD1 4.04Å; L104-I109 HydrophobicContact CB-CG1 4.42Å; L104-I109 WeakPolarHBondContact O-CB 3.35Å; L104-I109 WeakPolarHBondContact O-CG1 3.32Å; L104-I109 PolarHBondContact O-N 2.97Å; I109-K111 PolarHBondContact O-N 3.22Å; I109-A112 PolarHBondContact O-N 2.82Å; I109-L122 HydrophobicContact CD1-CD2 4.05Å; I109-L122 HydrophobicContact CG2-CD2 4.46Å; I109-K125 HydrophobicContact CD1-CB 4.42Å; I109-K125 HydrophobicContact CD1-CD 3.79Å
110P97.6Very high97.9Very high92 Ų9243.9 Ų43.960%0.59724%0.239SC*.G310 helixtrans-66.1-21.7179.6-22.634.7000114.4D105D105-P110 WeakPolarHBondContact O-CD 3.34Å; D105-P110 WeakPolarHBondContact O-CG 3.35Å
111K95.2Very high97.9Very high90 Ų9043.9 Ų43.939%0.39124%0.239SC..G310 helixtrans-104.2-4.7-175.5-64.6-172.2176.5174.80113.9G36 E38 Y107 L108 I109 S113G36-K111 VanDerWaalsContact C-NZ 3.32Å; G36-K111 WeakPolarHBondContact O-CD 3.49Å; G36-K111 WeakPolarHBondContact O-CE 3.32Å; G36-K111 PolarHBondContact O-NZ 3.28Å; E38-K111 VanDerWaalsContact CD-O 3.27Å; Y107-K111 WeakPolarHBondContact O-CB 3.24Å; Y107-K111 WeakPolarHBondContact O-CD 3.32Å; Y107-K111 WeakPolarHBondContact O-CG 3.37Å; L108-K111 PolarHBondContact O-N 3.13Å; I109-K111 PolarHBondContact O-N 3.22Å; K111-S113 PolarHBondContact O-N 3Å
112A97Very high97.9Very high19 Ų1944.1 Ų44.116%0.15724%0.24CC..  trans-62.1107.8177.800000110.4L108 I109 N114 K118 Y121L108-A112 PolarHBondContact O-N 2.66Å; I109-A112 PolarHBondContact O-N 2.82Å; A112-N114 VanDerWaalsContact C-N 3.35Å; A112-K118 HydrophobicContact CB-CB 3.96Å; A112-Y121 HydrophobicContact CB-CD2 4.05Å; A112-Y121 HydrophobicContact CB-CE2 4.21Å
113S95.9Very high97.9Very high90 Ų9044.1 Ų44.163%0.62923%0.23SC*.  trans-79.5-18.2-175.659.70000113.5E38 K111E38-S113 WeakPolarHBondContact OE1-CB 3.48Å; E38-S113 PolarHBondContact OE1-N 3.05Å; E38-S113 PolarHBondContact OE1-OG 2.97Å; E38-S113 VanDerWaalsContact OE2-CB 3.26Å; E38-S113 WeakPolarHBondContact OE2-CB 3.35Å; E38-S113 PolarHBondContact OE2-OG 3.49Å; K111-S113 PolarHBondContact O-N 3Å
114N96.3Very high97.9Very high55 Ų5544.3 Ų44.329%0.29423%0.23SC..SBendtrans-130.5154.8-174.459.779.3000112.3A112 E116 S117 K118A112-N114 VanDerWaalsContact C-N 3.35Å; N114-E116 VanDerWaalsContact C-N 3.32Å; N114-E116 PolarHBondContact O-N 3.36Å; N114-E116 PolarHBondContact OD1-N 3.23Å; N114-S117 PolarHBondContact ND2-OG 2.78Å; N114-S117 PolarHBondContact O-N 3.31Å; N114-S117 VanDerWaalsContact OD1-CB 3.31Å; N114-S117 WeakPolarHBondContact OD1-CB 3.5Å; N114-S117 PolarHBondContact OD1-N 2.75Å; N114-S117 PolarHBondContact OD1-OG 3.16Å; N114-K118 PolarHBondContact O-N 3.05Å; N114-K118 VanDerWaalsContact O-N 3.14Å
115P97.1Very high97.9Very high52 Ų5246.3 Ų46.334%0.33824%0.239SC..Hα-helixtrans-57.2-39.8-179.6-26.535.3000113.9S117 K118 V119 I158 K162P115-S117 PolarHBondContact O-N 3.48Å; P115-K118 PolarHBondContact O-N 2.64Å; P115-V119 WeakPolarHBondContact O-CB 3.41Å; P115-V119 VanDerWaalsContact O-CG2 3.29Å; P115-V119 WeakPolarHBondContact O-CG2 3.39Å; P115-V119 PolarHBondContact O-N 3.41Å; P115-I158 HydrophobicContact CB-CG2 4.17Å; P115-K162 HydrophobicContact CB-CB 3.66Å; P115-K162 HydrophobicContact CB-CG 4.11Å; P115-K162 HydrophobicContact CG-CB 3.99Å; P115-K162 HydrophobicContact CG-CD 4.43Å; P115-K162 HydrophobicContact CG-CG 4.13Å
116E97.1Very high97.9Very high74 Ų7443.1 Ų43.135%0.34622%0.222SC..Hα-helixtrans-60.3-48.3-178.6-69177.6-163.600112N114 K118 V119 F120 M163 H167 I169N114-E116 VanDerWaalsContact C-N 3.32Å; N114-E116 PolarHBondContact O-N 3.36Å; N114-E116 PolarHBondContact OD1-N 3.23Å; E116-K118 VanDerWaalsContact C-N 3.34Å; E116-K118 PolarHBondContact O-N 3.29Å; E116-V119 PolarHBondContact O-N 3.42Å; E116-F120 VanDerWaalsContact O-CB 3.28Å; E116-F120 WeakPolarHBondContact O-CB 3.46Å; E116-F120 PolarHBondContact O-N 3.07Å; E116-M163 HydrophobicContact CG-CE 4.07Å; E116-H167 IonicContact OE1-NE2 3.44Å; E116-H167 PolarHBondContact OE1-NE2 2.93Å; E116-H167 IonicContact OE2-NE2 3.96Å; E116-I169 HydrophobicContact CB-CD1 4.25Å
117S98Very high97.9Very high1 Ų136.9 Ų36.91%0.00720%0.196CC..Hα-helixtrans-65-40.6178.5-610000111N114 P115 F120 Y121N114-S117 PolarHBondContact ND2-OG 2.78Å; N114-S117 PolarHBondContact O-N 3.31Å; N114-S117 VanDerWaalsContact OD1-CB 3.31Å; N114-S117 WeakPolarHBondContact OD1-CB 3.5Å; N114-S117 PolarHBondContact OD1-N 2.75Å; N114-S117 PolarHBondContact OD1-OG 3.16Å; P115-S117 PolarHBondContact O-N 3.48Å; S117-F120 WeakPolarHBondContact O-CB 3.15Å; S117-F120 PolarHBondContact O-N 2.58Å; S117-Y121 WeakPolarHBondContact O-CD2 3.33Å; S117-Y121 VanDerWaalsContact O-CG 3.3Å; S117-Y121 PolarHBondContact O-N 3.34Å
118K98.4Very high98Very high89 Ų8935.2 Ų35.239%0.38719%0.189SC..Hα-helixtrans-63.3-46.6177.5-170.4167.4179.2-178.70111.9A112 N114 P115 E116 F120 Y121 L122 I158A112-K118 HydrophobicContact CB-CB 3.96Å; N114-K118 PolarHBondContact O-N 3.05Å; N114-K118 VanDerWaalsContact O-N 3.14Å; P115-K118 PolarHBondContact O-N 2.64Å; E116-K118 VanDerWaalsContact C-N 3.34Å; E116-K118 PolarHBondContact O-N 3.29Å; K118-F120 VanDerWaalsContact C-N 3.35Å; K118-Y121 PolarHBondContact O-N 3.24Å; K118-L122 HydrophobicContact CG-CD1 3.86Å; K118-L122 WeakPolarHBondContact O-CB 3.39Å; K118-L122 VanDerWaalsContact O-CG 3.31Å; K118-L122 WeakPolarHBondContact O-CG 3.42Å; K118-L122 PolarHBondContact O-N 3.19Å; K118-I158 HydrophobicContact CD-CD1 3.76Å; K118-I158 HydrophobicContact CG-CD1 3.93Å
119V98.7Very high98Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-63.7-41.4176.1174.30000110.8P115 E116 Y121 L122 K123 A155 I158 M163 I169 L173P115-V119 WeakPolarHBondContact O-CB 3.41Å; P115-V119 VanDerWaalsContact O-CG2 3.29Å; P115-V119 WeakPolarHBondContact O-CG2 3.39Å; P115-V119 PolarHBondContact O-N 3.41Å; E116-V119 PolarHBondContact O-N 3.42Å; V119-Y121 PolarHBondContact O-N 3.42Å; V119-L122 PolarHBondContact O-N 3.29Å; V119-K123 WeakPolarHBondContact O-CB 3.41Å; V119-K123 PolarHBondContact O-N 3.37Å; V119-A155 HydrophobicContact CG1-CB 4.33Å; V119-I158 HydrophobicContact CG2-CB 3.8Å; V119-I158 HydrophobicContact CG2-CG2 3.55Å; V119-M163 HydrophobicContact CB-SD 3.92Å; V119-M163 HydrophobicContact CG1-SD 3.96Å; V119-M163 HydrophobicContact CG2-SD 3.79Å; V119-I169 HydrophobicContact CB-CG2 4.32Å; V119-I169 HydrophobicContact CG1-CG2 3.79Å; V119-L173 HydrophobicContact CG1-CD2 4.04Å
120F98.6Very high98Very high26 Ų2635.2 Ų35.211%0.11419%0.187CC..Hα-helixtrans-57.5-49.7176.6-172.7-79000111.8R44 E116 S117 K118 M124 I169R44-F120 VanDerWaalsContact CD-CD1 3.4Å; R44-F120 HydrophobicContact CG-CD1 3.59Å; R44-F120 HydrophobicContact CG-CE1 3.4Å; R44-F120 HydrophobicContact CG-CE2 4.42Å; R44-F120 HydrophobicContact CG-CG 4.2Å; R44-F120 HydrophobicContact CG-CZ 3.83Å; E116-F120 VanDerWaalsContact O-CB 3.28Å; E116-F120 WeakPolarHBondContact O-CB 3.46Å; E116-F120 PolarHBondContact O-N 3.07Å; S117-F120 WeakPolarHBondContact O-CB 3.15Å; S117-F120 PolarHBondContact O-N 2.58Å; K118-F120 VanDerWaalsContact C-N 3.35Å; F120-M124 HydrophobicContact CE1-SD 4.41Å; F120-M124 WeakPolarHBondContact O-CB 3.38Å; F120-M124 PolarHBondContact O-N 3.19Å; F120-I169 HydrophobicContact CB-CD1 4.37Å; F120-I169 HydrophobicContact CB-CG2 4.41Å; F120-I169 HydrophobicContact CD2-CD1 4.01Å; F120-I169 HydrophobicContact CD2-CG1 4.2Å
121Y98.8Very high98Very high2 Ų232 Ų321%0.00816%0.163CC..Hα-helixtrans-70.9-38.2-178.5-62.3-46.5000112.9R44 L104 L108 A112 S117 K118 V119 M124 K125R44-Y121 HydrophobicContact CG-CE1 3.64Å; L104-Y121 HydrophobicContact CD2-CD1 3.83Å; L104-Y121 HydrophobicContact CD2-CG 4.16Å; L108-Y121 HydrophobicContact CB-CD1 3.89Å; L108-Y121 HydrophobicContact CB-CD2 3.88Å; L108-Y121 HydrophobicContact CB-CE1 3.91Å; L108-Y121 HydrophobicContact CB-CE2 3.93Å; L108-Y121 HydrophobicContact CB-CG 3.9Å; L108-Y121 HydrophobicContact CD1-CD1 4.06Å; L108-Y121 HydrophobicContact CD1-CE1 3.91Å; L108-Y121 HydrophobicContact CD2-CE1 3.99Å; L108-Y121 HydrophobicContact CG-CD1 4.45Å; L108-Y121 HydrophobicContact CG-CE1 4.15Å; A112-Y121 HydrophobicContact CB-CD2 4.05Å; A112-Y121 HydrophobicContact CB-CE2 4.21Å; S117-Y121 WeakPolarHBondContact O-CD2 3.33Å; S117-Y121 VanDerWaalsContact O-CG 3.3Å; S117-Y121 PolarHBondContact O-N 3.34Å; K118-Y121 PolarHBondContact O-N 3.24Å; V119-Y121 PolarHBondContact O-N 3.42Å; Y121-M124 WeakPolarHBondContact O-CB 3.23Å; Y121-M124 PolarHBondContact O-N 3.49Å; Y121-K125 WeakPolarHBondContact O-CB 3.36Å; Y121-K125 PolarHBondContact O-N 3.46Å
122L98.9Very high98.2Very high10 Ų1027.8 Ų27.85%0.05215%0.145CC..Hα-helixtrans-67.7-41.3175.9-72.7167.2000111.9I109 K118 V119 M124 K125 G126 D154 A155 I158I109-L122 HydrophobicContact CD1-CD2 4.05Å; I109-L122 HydrophobicContact CG2-CD2 4.46Å; K118-L122 HydrophobicContact CG-CD1 3.86Å; K118-L122 WeakPolarHBondContact O-CB 3.39Å; K118-L122 VanDerWaalsContact O-CG 3.31Å; K118-L122 WeakPolarHBondContact O-CG 3.42Å; K118-L122 PolarHBondContact O-N 3.19Å; V119-L122 PolarHBondContact O-N 3.29Å; L122-M124 VanDerWaalsContact C-N 3.3Å; L122-M124 PolarHBondContact O-N 3.06Å; L122-K125 WeakPolarHBondContact O-CB 3.45Å; L122-K125 PolarHBondContact O-N 3.48Å; L122-G126 PolarHBondContact O-N 3.18Å; L122-D154 HydrophobicContact CD1-CB 4.04Å; L122-D154 HydrophobicContact CD2-CB 4.31Å; L122-A155 HydrophobicContact CB-CB 3.66Å; L122-I158 HydrophobicContact CD1-CD1 3.72Å
123K98.8Very high98.3Very high37 Ų3726.9 Ų26.916%0.16114%0.137CC..Hα-helixtrans-56.2-47.9170.3177.9-166.8168.6-67.30110.7V119 K125 G126 D127 G172 L173 N176V119-K123 WeakPolarHBondContact O-CB 3.41Å; V119-K123 PolarHBondContact O-N 3.37Å; K123-K125 VanDerWaalsContact C-N 3.34Å; K123-K125 PolarHBondContact O-N 2.96Å; K123-G126 PolarHBondContact O-N 3.36Å; K123-D127 IonicContact NZ-OD2 2.85Å; K123-D127 PolarHBondContact NZ-OD2 3.35Å; K123-D127 PolarHBondContact O-N 3.37Å; K123-G172 WeakPolarHBondContact CE-O 3.2Å; K123-L173 HydrophobicContact CB-CD1 4Å; K123-L173 HydrophobicContact CD-CB 4.1Å; K123-L173 HydrophobicContact CG-CB 4.28Å; K123-L173 HydrophobicContact CG-CD1 3.96Å; K123-N176 PolarHBondContact NZ-ND2 3.36Å
124M98.7Very high98.3Very high9 Ų923.9 Ų23.94%0.04411%0.113CC..Hα-helixtrans-59.8-45.1177.1-167.9175179.900110.6V100 L104 F120 Y121 L122 G126 D127 Y128V100-M124 HydrophobicContact CG1-CE 3.78Å; L104-M124 HydrophobicContact CD1-CB 4.32Å; L104-M124 HydrophobicContact CD1-CG 4.18Å; L104-M124 HydrophobicContact CD2-CB 4.33Å; L104-M124 HydrophobicContact CD2-CG 4.43Å; L104-M124 HydrophobicContact CD2-SD 4.11Å; F120-M124 HydrophobicContact CE1-SD 4.41Å; F120-M124 WeakPolarHBondContact O-CB 3.38Å; F120-M124 PolarHBondContact O-N 3.19Å; Y121-M124 WeakPolarHBondContact O-CB 3.23Å; Y121-M124 PolarHBondContact O-N 3.49Å; L122-M124 VanDerWaalsContact C-N 3.3Å; L122-M124 PolarHBondContact O-N 3.06Å; M124-G126 VanDerWaalsContact C-N 3.34Å; M124-G126 PolarHBondContact O-N 3.43Å; M124-D127 WeakPolarHBondContact O-CA 3.43Å; M124-D127 WeakPolarHBondContact O-CB 3.15Å; M124-D127 PolarHBondContact O-N 3.1Å; M124-Y128 HydrophobicContact CE-CE2 3.63Å; M124-Y128 HydrophobicContact CG-CD2 3.86Å; M124-Y128 HydrophobicContact CG-CE2 3.62Å; M124-Y128 VanDerWaalsContact O-CD2 3.24Å; M124-Y128 WeakPolarHBondContact O-CD2 3.18Å; M124-Y128 PolarHBondContact O-N 2.92Å; M124-Y128 HydrophobicContact SD-CE2 4.49Å
125K98.9Very high98.3Very high42 Ų4221.9 Ų21.918%0.18310%0.103CC..Hα-helixtrans-55.2-47.4175.1-173.9172.7179.1170.90111.9L101 L104 D105 I109 Y121 L122 K123 D127 Y128 Y129 A151L101-K125 HydrophobicContact CD2-CB 4.49Å; L101-K125 HydrophobicContact CD2-CG 3.77Å; L104-K125 HydrophobicContact CD1-CB 3.97Å; D105-K125 VanDerWaalsContact CG-NZ 3.34Å; D105-K125 WeakPolarHBondContact OD1-CE 3.39Å; D105-K125 IonicContact OD1-NZ 3.82Å; D105-K125 PolarHBondContact OD1-NZ 3.36Å; D105-K125 IonicContact OD2-NZ 2.67Å; D105-K125 PolarHBondContact OD2-NZ 3.06Å; I109-K125 HydrophobicContact CD1-CB 4.42Å; I109-K125 HydrophobicContact CD1-CD 3.79Å; Y121-K125 WeakPolarHBondContact O-CB 3.36Å; Y121-K125 PolarHBondContact O-N 3.46Å; L122-K125 WeakPolarHBondContact O-CB 3.45Å; L122-K125 PolarHBondContact O-N 3.48Å; K123-K125 VanDerWaalsContact C-N 3.34Å; K123-K125 PolarHBondContact O-N 2.96Å; K125-D127 VanDerWaalsContact C-N 3.35Å; K125-D127 PolarHBondContact O-N 3.46Å; K125-Y128 PolarHBondContact O-N 3.18Å; K125-Y129 HydrophobicContact CD-CE2 4.31Å; K125-Y129 HydrophobicContact CG-CD2 3.92Å; K125-Y129 HydrophobicContact CG-CE2 3.74Å; K125-Y129 WeakPolarHBondContact O-CD2 3.39Å; K125-Y129 PolarHBondContact O-N 2.68Å; K125-Y129 VanDerWaalsContact O-N 3.09Å; K125-A151 HydrophobicContact CB-CB 4.05Å; K125-A151 HydrophobicContact CD-CB 4.21Å; K125-A151 HydrophobicContact CG-CB 3.91Å
126G98.9Very high98.2Very high0 Ų020.4 Ų20.40%010%0.095CC..Hα-helixtrans-58.3-43.8173.500000112.6L122 K123 M124 Y128 Y129 R130 S148 Y152L122-G126 PolarHBondContact O-N 3.18Å; K123-G126 PolarHBondContact O-N 3.36Å; M124-G126 VanDerWaalsContact C-N 3.34Å; M124-G126 PolarHBondContact O-N 3.43Å; G126-Y128 PolarHBondContact O-N 2.92Å; G126-Y129 PolarHBondContact O-N 3.02Å; G126-R130 WeakPolarHBondContact O-CB 3.39Å; G126-R130 PolarHBondContact O-N 3.5Å; G126-S148 PolarHBondContact O-OG 3.34Å; G126-Y152 VanDerWaalsContact C-CZ 3.43Å
127D98.8Very high98.1Very high9 Ų922.5 Ų22.55%0.04811%0.113CC..Hα-helixtrans-58.9-45.6177.1-71.5-40.1000112.8K123 M124 K125 R130 Y131 Y152 N176K123-D127 IonicContact NZ-OD2 2.85Å; K123-D127 PolarHBondContact NZ-OD2 3.35Å; K123-D127 PolarHBondContact O-N 3.37Å; M124-D127 WeakPolarHBondContact O-CA 3.43Å; M124-D127 WeakPolarHBondContact O-CB 3.15Å; M124-D127 PolarHBondContact O-N 3.1Å; K125-D127 VanDerWaalsContact C-N 3.35Å; K125-D127 PolarHBondContact O-N 3.46Å; D127-R130 WeakPolarHBondContact O-CB 3.48Å; D127-R130 PolarHBondContact O-N 3.48Å; D127-R130 IonicContact OD1-NE 2.71Å; D127-R130 IonicContact OD1-NH2 2.79Å; D127-R130 PolarHBondContact OD1-NH2 2.92Å; D127-R130 VanDerWaalsContact OD1-NH2 3.16Å; D127-Y131 HydrophobicContact CB-CE2 4.22Å; D127-Y131 VanDerWaalsContact O-CD1 3.31Å; D127-Y131 WeakPolarHBondContact O-CD1 3.32Å; D127-Y131 VanDerWaalsContact O-CD2 3.25Å; D127-Y131 WeakPolarHBondContact O-CD2 3.41Å; D127-Y131 PolarHBondContact O-N 2.94Å; D127-Y152 VanDerWaalsContact CA-OH 3.32Å; D127-Y152 WeakPolarHBondContact CA-OH 3.37Å; D127-Y152 PolarHBondContact N-OH 3.19Å; D127-Y152 PolarHBondContact OD1-OH 3.47Å; D127-N176 VanDerWaalsContact OD1-CB 3.32Å; D127-N176 WeakPolarHBondContact OD1-CB 3.39Å; D127-N176 PolarHBondContact OD1-ND2 3.32Å; D127-N176 PolarHBondContact OD2-ND2 2.88Å
128Y98.8Very high97.9Very high6 Ų625 Ų252%0.02414%0.14CC..Hα-helixtrans-72-34.6-178.9-78.2-87.8000113Y51 K52 V55 C97 V100 M124 K125 G126 Y131 L132Y51-Y128 WeakPolarHBondContact CB-OH 3.37Å; Y51-Y128 PolarHBondContact O-OH 2.63Å; K52-Y128 PolarHBondContact N-OH 2.67Å; V55-Y128 HydrophobicContact CB-CE1 4.06Å; V55-Y128 HydrophobicContact CG1-CE1 4.03Å; V55-Y128 HydrophobicContact CG2-CD1 4.49Å; V55-Y128 HydrophobicContact CG2-CE1 4.1Å; C97-Y128 HydrophobicContact CB-CD1 4.13Å; V100-Y128 HydrophobicContact CB-CD1 3.98Å; V100-Y128 HydrophobicContact CB-CD2 4.31Å; V100-Y128 HydrophobicContact CB-CE1 3.99Å; V100-Y128 HydrophobicContact CB-CE2 4.39Å; V100-Y128 HydrophobicContact CB-CG 4.15Å; V100-Y128 HydrophobicContact CG1-CD1 4.13Å; V100-Y128 HydrophobicContact CG1-CD2 3.55Å; V100-Y128 HydrophobicContact CG1-CE1 4.1Å; V100-Y128 HydrophobicContact CG1-CE2 3.6Å; V100-Y128 HydrophobicContact CG1-CG 3.87Å; V100-Y128 HydrophobicContact CG2-CD1 4.2Å; V100-Y128 HydrophobicContact CG2-CE1 3.72Å; M124-Y128 HydrophobicContact CE-CE2 3.63Å; M124-Y128 HydrophobicContact CG-CD2 3.86Å; M124-Y128 HydrophobicContact CG-CE2 3.62Å; M124-Y128 VanDerWaalsContact O-CD2 3.24Å; M124-Y128 WeakPolarHBondContact O-CD2 3.18Å; M124-Y128 PolarHBondContact O-N 2.92Å; M124-Y128 HydrophobicContact SD-CE2 4.49Å; K125-Y128 PolarHBondContact O-N 3.18Å; G126-Y128 PolarHBondContact O-N 2.92Å; Y128-Y131 HydrophobicContact CD1-CD2 4.07Å; Y128-Y131 HydrophobicContact CD1-CE2 4.5Å; Y128-Y131 HydrophobicContact CE1-CD2 4.35Å; Y128-Y131 HydrophobicContact CE1-CE2 4.48Å; Y128-Y131 HydrophobicContact CG-CD2 4.34Å; Y128-Y131 PolarHBondContact O-N 3.45Å; Y128-L132 WeakPolarHBondContact O-CG 3.48Å; Y128-L132 PolarHBondContact O-N 2.89Å
129Y98.8Very high97.7Very high24 Ų2427.2 Ų27.29%0.09416%0.155CC..Hα-helixtrans-67.3-38.3170-79.8-58.3000112.6L101 K125 G126 Y131 L132 A133 V144 D147L101-Y129 HydrophobicContact CD1-CD1 3.87Å; L101-Y129 HydrophobicContact CD1-CE1 3.5Å; L101-Y129 VanDerWaalsContact CD1-CE1 3.5Å; L101-Y129 HydrophobicContact CD1-CE2 4.25Å; L101-Y129 HydrophobicContact CD1-CG 4.35Å; L101-Y129 HydrophobicContact CD2-CD2 3.77Å; L101-Y129 HydrophobicContact CD2-CE1 4.32Å; L101-Y129 HydrophobicContact CD2-CE2 3.53Å; L101-Y129 HydrophobicContact CD2-CG 4.25Å; L101-Y129 HydrophobicContact CG-CE2 4.5Å; K125-Y129 HydrophobicContact CD-CE2 4.31Å; K125-Y129 HydrophobicContact CG-CD2 3.92Å; K125-Y129 HydrophobicContact CG-CE2 3.74Å; K125-Y129 WeakPolarHBondContact O-CD2 3.39Å; K125-Y129 PolarHBondContact O-N 2.68Å; K125-Y129 VanDerWaalsContact O-N 3.09Å; G126-Y129 PolarHBondContact O-N 3.02Å; Y129-Y131 VanDerWaalsContact C-N 3.32Å; Y129-Y131 PolarHBondContact O-N 3.32Å; Y129-L132 HydrophobicContact CD1-CD1 3.9Å; Y129-L132 HydrophobicContact CE1-CD1 4.3Å; Y129-L132 CarbonylContact O-C 3.5Å; Y129-L132 WeakPolarHBondContact O-CB 3.43Å; Y129-L132 PolarHBondContact O-N 3.01Å; Y129-L132 VanDerWaalsContact O-N 3.16Å; Y129-A133 PolarHBondContact O-N 3.32Å; Y129-V144 HydrophobicContact CD1-CB 4.17Å; Y129-V144 HydrophobicContact CD1-CG1 4.23Å; Y129-D147 HydrophobicContact CD1-CB 3.81Å; Y129-D147 HydrophobicContact CD2-CB 3.7Å; Y129-D147 HydrophobicContact CE1-CB 3.82Å; Y129-D147 HydrophobicContact CE2-CB 3.68Å; Y129-D147 HydrophobicContact CG-CB 3.77Å
130R98.6Very high97.5Very high13 Ų1330 Ų305%0.04918%0.179CC..Hα-helixtrans-58.6-43.5171.3170.9165.268.789.11.2112.1G126 D127 L132 A133 E134 S148 Y152 F180 E183 I184G126-R130 WeakPolarHBondContact O-CB 3.39Å; G126-R130 PolarHBondContact O-N 3.5Å; D127-R130 WeakPolarHBondContact O-CB 3.48Å; D127-R130 PolarHBondContact O-N 3.48Å; D127-R130 IonicContact OD1-NE 2.71Å; D127-R130 IonicContact OD1-NH2 2.79Å; D127-R130 PolarHBondContact OD1-NH2 2.92Å; D127-R130 VanDerWaalsContact OD1-NH2 3.16Å; R130-L132 VanDerWaalsContact C-N 3.3Å; R130-L132 PolarHBondContact O-N 3.14Å; R130-A133 WeakPolarHBondContact O-CB 3.35Å; R130-A133 PolarHBondContact O-N 2.94Å; R130-A133 VanDerWaalsContact O-N 3.12Å; R130-E134 PolarHBondContact O-N 3.19Å; R130-E134 VanDerWaalsContact O-N 3.09Å; R130-S148 PolarHBondContact N-OG 2.88Å; R130-Y152 PolarHBondContact NE-OH 3.28Å; R130-F180 HydrophobicContact CB-CD2 4.28Å; R130-F180 HydrophobicContact CG-CD2 4.35Å; R130-E183 IonicContact NH1-OE2 3.05Å; R130-I184 HydrophobicContact CG-CD1 4.12Å; R130-I184 HydrophobicContact CG-CG1 3.77Å
131Y98.5Very high97.4Very high23 Ų2332.4 Ų32.49%0.0919%0.187CC..Hα-helixtrans-64-35.6175.9-56.2-26.7000112.5V55 D127 Y128 Y129V55-Y131 HydrophobicContact CG1-CD2 4Å; V55-Y131 HydrophobicContact CG1-CE2 3.79Å; V55-Y131 HydrophobicContact CG2-CD2 3.84Å; V55-Y131 HydrophobicContact CG2-CE2 4.48Å; D127-Y131 HydrophobicContact CB-CE2 4.22Å; D127-Y131 VanDerWaalsContact O-CD1 3.31Å; D127-Y131 WeakPolarHBondContact O-CD1 3.32Å; D127-Y131 VanDerWaalsContact O-CD2 3.25Å; D127-Y131 WeakPolarHBondContact O-CD2 3.41Å; D127-Y131 PolarHBondContact O-N 2.94Å; Y128-Y131 HydrophobicContact CD1-CD2 4.07Å; Y128-Y131 HydrophobicContact CD1-CE2 4.5Å; Y128-Y131 HydrophobicContact CE1-CD2 4.35Å; Y128-Y131 HydrophobicContact CE1-CE2 4.48Å; Y128-Y131 HydrophobicContact CG-CD2 4.34Å; Y128-Y131 PolarHBondContact O-N 3.45Å; Y129-Y131 VanDerWaalsContact C-N 3.32Å; Y129-Y131 PolarHBondContact O-N 3.32Å
132L98.5Very high97.3Very high3 Ų337.4 Ų37.42%0.01621%0.214CC..Hα-helixtrans-65.2-41.3171-71.4170.2000111.3R94 C97 Y98 L101 Y128 Y129 R130 E134 V135 A136 V144R94-L132 HydrophobicContact CB-CD2 4.13Å; R94-L132 HydrophobicContact CG-CD2 3.68Å; C97-L132 HydrophobicContact CB-CD1 3.98Å; C97-L132 HydrophobicContact CB-CD2 3.65Å; C97-L132 HydrophobicContact CB-CG 3.65Å; Y98-L132 HydrophobicContact CD1-CD1 4.37Å; Y98-L132 HydrophobicContact CE1-CD1 3.9Å; Y98-L132 HydrophobicContact CE2-CD1 4.28Å; Y98-L132 HydrophobicContact CE2-CD2 4.15Å; L101-L132 HydrophobicContact CD1-CD1 3.66Å; Y128-L132 WeakPolarHBondContact O-CG 3.48Å; Y128-L132 PolarHBondContact O-N 2.89Å; Y129-L132 HydrophobicContact CD1-CD1 3.9Å; Y129-L132 HydrophobicContact CE1-CD1 4.3Å; Y129-L132 CarbonylContact O-C 3.5Å; Y129-L132 WeakPolarHBondContact O-CB 3.43Å; Y129-L132 PolarHBondContact O-N 3.01Å; Y129-L132 VanDerWaalsContact O-N 3.16Å; R130-L132 VanDerWaalsContact C-N 3.3Å; R130-L132 PolarHBondContact O-N 3.14Å; L132-E134 VanDerWaalsContact C-N 3.27Å; L132-E134 PolarHBondContact O-N 2.63Å; L132-V135 WeakPolarHBondContact O-CG2 3.5Å; L132-V135 PolarHBondContact O-N 2.86Å; L132-V135 VanDerWaalsContact O-N 3.15Å; L132-A136 VanDerWaalsContact O-CB 3.24Å; L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 2.99Å; L132-V144 HydrophobicContact CB-CB 4.18Å; L132-V144 HydrophobicContact CB-CG1 4.07Å; L132-V144 HydrophobicContact CB-CG2 4.33Å; L132-V144 HydrophobicContact CD1-CG1 4.32Å
133A98.2Very high97.3Very high0 Ų040.9 Ų40.90%024%0.236CC..Hα-helixtrans-60-37.3178.600000112.1Y129 R130 V135 A136 R141 V144 V145 I184Y129-A133 PolarHBondContact O-N 3.32Å; R130-A133 WeakPolarHBondContact O-CB 3.35Å; R130-A133 PolarHBondContact O-N 2.94Å; R130-A133 VanDerWaalsContact O-N 3.12Å; A133-V135 PolarHBondContact O-N 3.38Å; A133-A136 PolarHBondContact O-N 3.37Å; A133-R141 PolarHBondContact O-NH1 3.27Å; A133-V144 HydrophobicContact CB-CG2 3.84Å; A133-V145 HydrophobicContact CB-CG2 3.85Å; A133-I184 HydrophobicContact CB-CD1 4.3Å; A133-I184 HydrophobicContact CB-CG2 3.9Å
134E96.2Very high97.3Very high27 Ų2739.4 Ų39.413%0.12623%0.23CC..Hα-helixtrans-54.2-34.3176.2-72.7171-137.800113.3R59 W62 R63 R130 L132 I184R59-E134 IonicContact CZ-OE1 3.86Å; R59-E134 VanDerWaalsContact CZ-OE1 3.31Å; R59-E134 IonicContact CZ-OE2 3.23Å; R59-E134 IonicContact NE-OE1 2.63Å; R59-E134 PolarHBondContact NE-OE1 2.83Å; R59-E134 IonicContact NE-OE2 3.98Å; R59-E134 PolarHBondContact NE-OE2 3.43Å; R59-E134 IonicContact NH2-OE1 2.92Å; R59-E134 PolarHBondContact NH2-OE1 3.49Å; R59-E134 IonicContact NH2-OE2 3.16Å; R59-E134 PolarHBondContact NH2-OE2 3.08Å; W62-E134 VanDerWaalsContact CH2-O 3.28Å; W62-E134 WeakPolarHBondContact CH2-O 3.12Å; R63-E134 IonicContact CZ-OE2 3.7Å; R63-E134 IonicContact NH2-OE2 3.2Å; R63-E134 PolarHBondContact NH2-OE2 3.38Å; R130-E134 PolarHBondContact O-N 3.19Å; R130-E134 VanDerWaalsContact O-N 3.09Å; L132-E134 VanDerWaalsContact C-N 3.27Å; L132-E134 PolarHBondContact O-N 2.63Å; E134-I184 HydrophobicContact CG-CD1 3.98Å
135V96.2Very high97.3Very high13 Ų1339.9 Ų39.98%0.07923%0.233CC..Hα-helixtrans-110.2-13.3-175-55.30000114W62 E90 L93 L132 A133W62-V135 HydrophobicContact CD2-CG1 3.78Å; W62-V135 HydrophobicContact CE3-CG1 4.29Å; W62-V135 HydrophobicContact CG-CG1 4.12Å; W62-V135 HydrophobicContact CH2-CG1 4.38Å; W62-V135 HydrophobicContact CZ2-CB 4.47Å; W62-V135 HydrophobicContact CZ2-CG1 3.9Å; E90-V135 HydrophobicContact CG-CB 4.01Å; E90-V135 HydrophobicContact CG-CG1 4.23Å; L93-V135 HydrophobicContact CD2-CB 4.39Å; L93-V135 HydrophobicContact CD2-CG1 3.5Å; L93-V135 VanDerWaalsContact CD2-CG1 3.5Å; L93-V135 HydrophobicContact CD2-CG2 3.95Å; L132-V135 WeakPolarHBondContact O-CG2 3.5Å; L132-V135 PolarHBondContact O-N 2.86Å; L132-V135 VanDerWaalsContact O-N 3.15Å; A133-V135 PolarHBondContact O-N 3.38Å
136A96.7Very high97.2Very high21 Ų2142.5 Ų42.517%0.17425%0.249CC..  trans-76.6148-179.400000111.9L132 A133 R141 V144L132-A136 VanDerWaalsContact O-CB 3.24Å; L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 2.99Å; A133-A136 PolarHBondContact O-N 3.37Å; A136-R141 HydrophobicContact CB-CB 4Å; A136-V144 HydrophobicContact CB-CG2 3.97Å
137T93.7Very high97.2Very high117 Ų11745.1 Ų45.172%0.71826%0.263SS*.  trans-129.9154.8178.959.60000111.1
138G94.1Very high97.2Very high55 Ų5544.7 Ų44.757%0.56726%0.261SS*.THydrogen-bonded Turntrans61.5-145.1177.200000112.8A140 R141G138-A140 VanDerWaalsContact C-N 3.26Å; G138-A140 PolarHBondContact O-N 3.18Å; G138-R141 VanDerWaalsContact O-CB 3.29Å; G138-R141 WeakPolarHBondContact O-CB 3.35Å; G138-R141 PolarHBondContact O-N 3.38Å
139D94.2Very high97.2Very high134 Ų13447.6 Ų47.672%0.71728%0.275SS*.Hα-helixtrans-60.6-34.6-175.8-63.1-24.9000113.3R141 N142 T143D139-R141 PolarHBondContact O-N 2.85Å; D139-N142 WeakPolarHBondContact O-CB 3.36Å; D139-N142 PolarHBondContact O-N 3.17Å; D139-T143 PolarHBondContact O-N 3.03Å; D139-T143 PolarHBondContact O-OG1 3.05Å
140A94.3Very high97.2Very high60 Ų6049.5 Ų49.550%0.49629%0.289SS..Hα-helixtrans-59.3-33.6176.100000111.9G138 V144G138-A140 VanDerWaalsContact C-N 3.26Å; G138-A140 PolarHBondContact O-N 3.18Å; A140-V144 WeakPolarHBondContact O-CG2 3.42Å; A140-V144 PolarHBondContact O-N 3.31Å
141R97.3Very high97.2Very high76 Ų7649 Ų4929%0.28729%0.288SS..Hα-helixtrans-65.3-46174.5-175.3179.9164.887.7-0.5110.9A133 A136 G138 D139 T143 V144 V145 I184A133-R141 PolarHBondContact O-NH1 3.27Å; A136-R141 HydrophobicContact CB-CB 4Å; G138-R141 VanDerWaalsContact O-CB 3.29Å; G138-R141 WeakPolarHBondContact O-CB 3.35Å; G138-R141 PolarHBondContact O-N 3.38Å; D139-R141 PolarHBondContact O-N 2.85Å; R141-T143 VanDerWaalsContact C-N 3.3Å; R141-T143 PolarHBondContact O-N 2.79Å; R141-V144 VanDerWaalsContact O-CG2 3.32Å; R141-V144 WeakPolarHBondContact O-CG2 3.46Å; R141-V144 PolarHBondContact O-N 2.91Å; R141-V145 HydrophobicContact CG-CG2 4.04Å; R141-V145 WeakPolarHBondContact O-CB 3.39Å; R141-V145 WeakPolarHBondContact O-CG2 3.17Å; R141-V145 PolarHBondContact O-N 3.31Å; R141-I184 PolarHBondContact NH2-O 2.98Å; R141-I184 VanDerWaalsContact NH2-O 3.1Å
142N97.2Very high97.2Very high106 Ų10648 Ų4857%0.56728%0.284SS*.Hα-helixtrans-59.8-43.2-177.9-64.4-26000111.3D139 V145 D146D139-N142 WeakPolarHBondContact O-CB 3.36Å; D139-N142 PolarHBondContact O-N 3.17Å; N142-V145 PolarHBondContact O-N 2.87Å; N142-D146 PolarHBondContact O-N 2.84Å; N142-D146 VanDerWaalsContact O-N 3.08Å
143T97.7Very high97.2Very high83 Ų8350.9 Ų50.951%0.50930%0.297SS..Hα-helixtrans-61.4-51.8176.9-550000112.2D139 R141 V145 D146 D147D139-T143 PolarHBondContact O-N 3.03Å; D139-T143 PolarHBondContact O-OG1 3.05Å; R141-T143 VanDerWaalsContact C-N 3.3Å; R141-T143 PolarHBondContact O-N 2.79Å; T143-V145 VanDerWaalsContact C-N 3.27Å; T143-V145 PolarHBondContact O-N 3.26Å; T143-D146 PolarHBondContact O-N 3.01Å; T143-D147 PolarHBondContact O-N 3.39Å
144V98.1Very high97.3Very high6 Ų654.5 Ų54.54%0.03632%0.317CS..Hα-helixtrans-68.8-26.7-178-60.10000112.9Y129 L132 A133 A136 A140 R141 S148Y129-V144 HydrophobicContact CD1-CB 4.17Å; Y129-V144 HydrophobicContact CD1-CG1 4.23Å; L132-V144 HydrophobicContact CB-CB 4.18Å; L132-V144 HydrophobicContact CB-CG1 4.07Å; L132-V144 HydrophobicContact CB-CG2 4.33Å; L132-V144 HydrophobicContact CD1-CG1 4.32Å; A133-V144 HydrophobicContact CB-CG2 3.84Å; A136-V144 HydrophobicContact CB-CG2 3.97Å; A140-V144 WeakPolarHBondContact O-CG2 3.42Å; A140-V144 PolarHBondContact O-N 3.31Å; R141-V144 VanDerWaalsContact O-CG2 3.32Å; R141-V144 WeakPolarHBondContact O-CG2 3.46Å; R141-V144 PolarHBondContact O-N 2.91Å; V144-S148 VanDerWaalsContact O-CB 3.27Å; V144-S148 WeakPolarHBondContact O-CB 3.25Å; V144-S148 PolarHBondContact O-N 2.85Å
145V98.6Very high97.4Very high20 Ų2053.2 Ų53.212%0.12131%0.311CS..Hα-helixtrans-67.2-46.4172.9169.80000110.7A133 R141 N142 T143 S148 Q149 F180 I184 L185A133-V145 HydrophobicContact CB-CG2 3.85Å; R141-V145 HydrophobicContact CG-CG2 4.04Å; R141-V145 WeakPolarHBondContact O-CB 3.39Å; R141-V145 WeakPolarHBondContact O-CG2 3.17Å; R141-V145 PolarHBondContact O-N 3.31Å; N142-V145 PolarHBondContact O-N 2.87Å; T143-V145 VanDerWaalsContact C-N 3.27Å; T143-V145 PolarHBondContact O-N 3.26Å; V145-S148 WeakPolarHBondContact O-CB 3.5Å; V145-S148 PolarHBondContact O-N 3.16Å; V145-Q149 WeakPolarHBondContact O-CB 3.32Å; V145-Q149 PolarHBondContact O-N 3.26Å; V145-F180 HydrophobicContact CG1-CE2 4.44Å; V145-F180 HydrophobicContact CG1-CZ 4.11Å; V145-I184 HydrophobicContact CG1-CG2 4.39Å; V145-I184 HydrophobicContact CG2-CG2 3.65Å; V145-L185 HydrophobicContact CG1-CD2 3.52Å
146D98.4Very high97.5Very high97 Ų9754.8 Ų54.852%0.51932%0.316SS..Hα-helixtrans-64-43.5177.8-171.357.3000111.9N142 T143 S148 Q149 T150N142-D146 PolarHBondContact O-N 2.84Å; N142-D146 VanDerWaalsContact O-N 3.08Å; T143-D146 PolarHBondContact O-N 3.01Å; D146-S148 VanDerWaalsContact C-N 3.34Å; D146-S148 PolarHBondContact O-N 2.84Å; D146-Q149 PolarHBondContact O-N 3.35Å; D146-T150 WeakPolarHBondContact O-CB 3.49Å; D146-T150 PolarHBondContact O-N 2.88Å; D146-T150 PolarHBondContact O-OG1 3.43Å
147D98.6Very high97.6Very high54 Ų5458.3 Ų58.329%0.28933%0.332SS..Hα-helixtrans-62.1-41.2174.9-73.6-37.1000111.9Y129 T143 A151Y129-D147 HydrophobicContact CD1-CB 3.81Å; Y129-D147 HydrophobicContact CD2-CB 3.7Å; Y129-D147 HydrophobicContact CE1-CB 3.82Å; Y129-D147 HydrophobicContact CE2-CB 3.68Å; Y129-D147 HydrophobicContact CG-CB 3.77Å; T143-D147 PolarHBondContact O-N 3.39Å; D147-A151 WeakPolarHBondContact O-CB 3.32Å; D147-A151 PolarHBondContact O-N 2.84Å
148S98.8Very high97.8Very high0 Ų054.5 Ų54.50%031%0.307CS..Hα-helixtrans-61.7-47.5175.4-173.80000111.2G126 R130 V144 V145 D146 A151 Y152 F180G126-S148 PolarHBondContact O-OG 3.34Å; R130-S148 PolarHBondContact N-OG 2.88Å; V144-S148 VanDerWaalsContact O-CB 3.27Å; V144-S148 WeakPolarHBondContact O-CB 3.25Å; V144-S148 PolarHBondContact O-N 2.85Å; V145-S148 WeakPolarHBondContact O-CB 3.5Å; V145-S148 PolarHBondContact O-N 3.16Å; D146-S148 VanDerWaalsContact C-N 3.34Å; D146-S148 PolarHBondContact O-N 2.84Å; S148-A151 PolarHBondContact O-N 3.09Å; S148-Y152 WeakPolarHBondContact O-CD2 3.05Å; S148-Y152 PolarHBondContact O-N 2.82Å; S148-Y152 VanDerWaalsContact O-N 3.08Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.31Å; S148-F180 WeakPolarHBondContact OG-CD2 3.44Å; S148-F180 WeakPolarHBondContact OG-CE2 3.39Å
149Q98.7Very high98Very high67 Ų6751.9 Ų51.931%0.31328%0.28SS..Hα-helixtrans-64.3-44.7-178.9-176.4171.7-17.200111.1V145 D146 A151 Y152 Q153 F180V145-Q149 WeakPolarHBondContact O-CB 3.32Å; V145-Q149 PolarHBondContact O-N 3.26Å; D146-Q149 PolarHBondContact O-N 3.35Å; Q149-A151 PolarHBondContact O-N 3.29Å; Q149-Y152 PolarHBondContact O-N 3.3Å; Q149-Q153 WeakPolarHBondContact O-CB 3.24Å; Q149-Q153 PolarHBondContact O-N 3.35Å; Q149-F180 HydrophobicContact CB-CE1 3.84Å; Q149-F180 HydrophobicContact CB-CZ 3.84Å; Q149-F180 HydrophobicContact CG-CE1 4.2Å
150T98.8Very high98Very high65 Ų6552.2 Ų52.240%0.39928%0.275SS..Hα-helixtrans-58.7-49.1177.6-620000111.1D146 Y152 Q153 D154D146-T150 WeakPolarHBondContact O-CB 3.49Å; D146-T150 PolarHBondContact O-N 2.88Å; D146-T150 PolarHBondContact O-OG1 3.43Å; T150-Y152 PolarHBondContact O-N 2.89Å; T150-Q153 PolarHBondContact O-N 2.71Å; T150-D154 WeakPolarHBondContact O-CB 3.4Å; T150-D154 PolarHBondContact O-N 2.85Å
151A98.9Very high98Very high3 Ų352.3 Ų52.33%0.02528%0.282CS..Hα-helixtrans-62.7-41.1179.900000112.9K125 D147 S148 Q149 A155K125-A151 HydrophobicContact CB-CB 4.05Å; K125-A151 HydrophobicContact CD-CB 4.21Å; K125-A151 HydrophobicContact CG-CB 3.91Å; D147-A151 WeakPolarHBondContact O-CB 3.32Å; D147-A151 PolarHBondContact O-N 2.84Å; S148-A151 PolarHBondContact O-N 3.09Å; Q149-A151 PolarHBondContact O-N 3.29Å; A151-A155 WeakPolarHBondContact O-CB 3.04Å; A151-A155 PolarHBondContact O-N 3.37Å; A151-A155 VanDerWaalsContact O-N 3.13Å
152Y98.9Very high98Very high0 Ų055.9 Ų55.90%030%0.3CS..Hα-helixtrans-67.2-40175-76-52.8000112.5G126 D127 R130 S148 Q149 T150 A155 F156 L173 N176 F177 F180G126-Y152 VanDerWaalsContact C-CZ 3.43Å; D127-Y152 VanDerWaalsContact CA-OH 3.32Å; D127-Y152 WeakPolarHBondContact CA-OH 3.37Å; D127-Y152 PolarHBondContact N-OH 3.19Å; D127-Y152 PolarHBondContact OD1-OH 3.47Å; R130-Y152 PolarHBondContact NE-OH 3.28Å; S148-Y152 WeakPolarHBondContact O-CD2 3.05Å; S148-Y152 PolarHBondContact O-N 2.82Å; S148-Y152 VanDerWaalsContact O-N 3.08Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.31Å; Q149-Y152 PolarHBondContact O-N 3.3Å; T150-Y152 PolarHBondContact O-N 2.89Å; Y152-A155 PolarHBondContact O-N 2.93Å; Y152-F156 VanDerWaalsContact O-CB 3.29Å; Y152-F156 WeakPolarHBondContact O-CB 3.25Å; Y152-F156 PolarHBondContact O-N 3.01Å; Y152-L173 HydrophobicContact CD1-CD1 3.71Å; Y152-L173 HydrophobicContact CE1-CD1 4.43Å; Y152-N176 HydrophobicContact CE1-CB 4.15Å; Y152-F177 VanDerWaalsContact CB-CD2 3.46Å; Y152-F177 VanDerWaalsContact CB-CE2 3.48Å; Y152-F177 HydrophobicContact CD1-CB 4.09Å; Y152-F177 HydrophobicContact CD1-CD2 4.47Å; Y152-F177 HydrophobicContact CD1-CG 4.32Å; Y152-F177 AromaticContact CD2-CD2 3.62Å; Y152-F177 HydrophobicContact CD2-CD2 3.62Å; Y152-F177 HydrophobicContact CD2-CE2 4.02Å; Y152-F177 HydrophobicContact CD2-CG 4.27Å; Y152-F177 HydrophobicContact CE2-CD2 4.45Å; Y152-F177 HydrophobicContact CG-CB 4.09Å; Y152-F177 HydrophobicContact CG-CD1 4.46Å; Y152-F177 AromaticContact CG-CD2 3.63Å; Y152-F177 HydrophobicContact CG-CD2 3.63Å; Y152-F177 HydrophobicContact CG-CE2 4.07Å; Y152-F177 AromaticContact CG-CG 3.85Å; Y152-F177 HydrophobicContact CG-CG 3.85Å; Y152-F180 HydrophobicContact CD2-CB 4.16Å; Y152-F180 HydrophobicContact CD2-CD1 4.25Å; Y152-F180 HydrophobicContact CD2-CG 4.05Å; Y152-F180 HydrophobicContact CE2-CB 3.68Å; Y152-F180 HydrophobicContact CE2-CD2 4.14Å; Y152-F180 AromaticContact CE2-CG 3.86Å; Y152-F180 HydrophobicContact CE2-CG 3.86Å
153Q98.7Very high98Very high65 Ų6551.4 Ų51.430%0.30428%0.275SS..Hα-helixtrans-65.5-45.1178.8-170.661.453.100111.4Q149 T150 A155 F156 D157Q149-Q153 WeakPolarHBondContact O-CB 3.24Å; Q149-Q153 PolarHBondContact O-N 3.35Å; T150-Q153 PolarHBondContact O-N 2.71Å; Q153-A155 VanDerWaalsContact C-N 3.3Å; Q153-A155 PolarHBondContact O-N 3.26Å; Q153-F156 WeakPolarHBondContact O-CB 3.46Å; Q153-F156 PolarHBondContact O-N 3.26Å; Q153-D157 PolarHBondContact NE2-OD1 3.03Å; Q153-D157 PolarHBondContact O-N 3.06Å
154D98.6Very high97.9Very high76 Ų7653 Ų5341%0.40628%0.277SS..Hα-helixtrans-58.2-42.7175.1-75.2-13.6000111.6L122 T150 F156 I158L122-D154 HydrophobicContact CD1-CB 4.04Å; L122-D154 HydrophobicContact CD2-CB 4.31Å; T150-D154 WeakPolarHBondContact O-CB 3.4Å; T150-D154 PolarHBondContact O-N 2.85Å; D154-F156 VanDerWaalsContact C-N 3.34Å; D154-I158 WeakPolarHBondContact O-CD1 3.4Å; D154-I158 VanDerWaalsContact O-CG1 3.3Å; D154-I158 WeakPolarHBondContact O-CG1 3.39Å; D154-I158 PolarHBondContact O-N 3.21Å
155A98.8Very high97.9Very high0 Ų053.3 Ų53.30%028%0.279CS..Hα-helixtrans-63.2-42.5174.600000111.4V119 L122 A151 Y152 Q153 S159 L173V119-A155 HydrophobicContact CG1-CB 4.33Å; L122-A155 HydrophobicContact CB-CB 3.66Å; A151-A155 WeakPolarHBondContact O-CB 3.04Å; A151-A155 PolarHBondContact O-N 3.37Å; A151-A155 VanDerWaalsContact O-N 3.13Å; Y152-A155 PolarHBondContact O-N 2.93Å; Q153-A155 VanDerWaalsContact C-N 3.3Å; Q153-A155 PolarHBondContact O-N 3.26Å; A155-S159 VanDerWaalsContact O-CB 3.31Å; A155-S159 WeakPolarHBondContact O-CB 3.34Å; A155-S159 PolarHBondContact O-N 3.25Å; A155-S159 PolarHBondContact O-OG 3.2Å; A155-L173 VanDerWaalsContact C-CD2 3.49Å; A155-L173 HydrophobicContact CB-CD1 3.8Å; A155-L173 HydrophobicContact CB-CD2 3.66Å; A155-L173 HydrophobicContact CB-CG 4.4Å
156F98.4Very high97.8Very high45 Ų4552.6 Ų52.620%0.19728%0.275CS..Hα-helixtrans-66.3-45.9-175.7-169.3-99.1000111.2Y152 Q153 D154 I158 S159 K160 L173 F177 L194Y152-F156 VanDerWaalsContact O-CB 3.29Å; Y152-F156 WeakPolarHBondContact O-CB 3.25Å; Y152-F156 PolarHBondContact O-N 3.01Å; Q153-F156 WeakPolarHBondContact O-CB 3.46Å; Q153-F156 PolarHBondContact O-N 3.26Å; D154-F156 VanDerWaalsContact C-N 3.34Å; F156-I158 VanDerWaalsContact C-N 3.34Å; F156-I158 PolarHBondContact O-N 3.46Å; F156-S159 PolarHBondContact O-N 3.17Å; F156-S159 PolarHBondContact O-OG 3.42Å; F156-K160 HydrophobicContact CE1-CD 4.4Å; F156-K160 WeakPolarHBondContact O-CB 3.34Å; F156-K160 PolarHBondContact O-N 2.66Å; F156-L173 HydrophobicContact CB-CD2 4.17Å; F156-L173 HydrophobicContact CD2-CD2 4.33Å; F156-F177 HydrophobicContact CB-CE1 4.41Å; F156-L194 HydrophobicContact CD2-CD1 4.37Å; F156-L194 HydrophobicContact CE2-CD1 3.54Å; F156-L194 HydrophobicContact CZ-CD1 3.78Å
157D98.1Very high97.7Very high95 Ų9549.7 Ų49.751%0.50826%0.258SS..Hα-helixtrans-61.4-41.4179.6-69.7-15.2000112.1Q153Q153-D157 PolarHBondContact NE2-OD1 3.03Å; Q153-D157 PolarHBondContact O-N 3.06Å
158I98.4Very high97.6Very high38 Ų3848.1 Ų48.120%0.19525%0.251CS..Hα-helixtrans-67-47.6174.7-62.5165.5000110.2P115 K118 V119 L122 D154 F156 K160 G161 K162P115-I158 HydrophobicContact CB-CG2 4.17Å; K118-I158 HydrophobicContact CD-CD1 3.76Å; K118-I158 HydrophobicContact CG-CD1 3.93Å; V119-I158 HydrophobicContact CG2-CB 3.8Å; V119-I158 HydrophobicContact CG2-CG2 3.55Å; L122-I158 HydrophobicContact CD1-CD1 3.72Å; D154-I158 WeakPolarHBondContact O-CD1 3.4Å; D154-I158 VanDerWaalsContact O-CG1 3.3Å; D154-I158 WeakPolarHBondContact O-CG1 3.39Å; D154-I158 PolarHBondContact O-N 3.21Å; F156-I158 VanDerWaalsContact C-N 3.34Å; F156-I158 PolarHBondContact O-N 3.46Å; I158-K160 VanDerWaalsContact C-N 3.32Å; I158-K160 PolarHBondContact O-N 3.44Å; I158-G161 PolarHBondContact O-N 2.86Å; I158-K162 HydrophobicContact CG2-CG 4.3Å; I158-K162 VanDerWaalsContact O-CB 3.32Å; I158-K162 WeakPolarHBondContact O-CB 3.48Å; I158-K162 WeakPolarHBondContact O-CG 3.42Å; I158-K162 PolarHBondContact O-N 3.04Å; I158-K162 VanDerWaalsContact O-N 3.11Å
159S98.2Very high97.6Very high0 Ų049.1 Ų49.10%026%0.256CS..Hα-helixtrans-62.2-39-17576.10000112.5A155 F156 G161 K162 M163A155-S159 VanDerWaalsContact O-CB 3.31Å; A155-S159 WeakPolarHBondContact O-CB 3.34Å; A155-S159 PolarHBondContact O-N 3.25Å; A155-S159 PolarHBondContact O-OG 3.2Å; F156-S159 PolarHBondContact O-N 3.17Å; F156-S159 PolarHBondContact O-OG 3.42Å; S159-G161 VanDerWaalsContact C-N 3.29Å; S159-G161 PolarHBondContact O-N 3.36Å; S159-K162 PolarHBondContact O-N 3.47Å; S159-M163 WeakPolarHBondContact O-CB 3.49Å; S159-M163 PolarHBondContact O-N 3.31Å
160K95.7Very high97.5Very high141 Ų14147.5 Ų47.561%0.61325%0.247SC*.Hα-helixtrans-62.3-35.4-177.7-171.1173.7-177.8175.40112.6F156 I158F156-K160 HydrophobicContact CE1-CD 4.4Å; F156-K160 WeakPolarHBondContact O-CB 3.34Å; F156-K160 PolarHBondContact O-N 2.66Å; I158-K160 VanDerWaalsContact C-N 3.32Å; I158-K160 PolarHBondContact O-N 3.44Å
161G94Very high97.5Very high62 Ų6244.5 Ų44.564%0.63923%0.228SC*.Hα-helixtrans-96.8-12.4-17900000115.5I158 S159I158-G161 PolarHBondContact O-N 2.86Å; S159-G161 VanDerWaalsContact C-N 3.29Å; S159-G161 PolarHBondContact O-N 3.36Å
162K97.3Very high97.5Very high150 Ų15044.8 Ų44.865%0.65223%0.232SC*.Hα-helixtrans-125.5-7.7-170-59.1-63178.2-1720114.9P115 I158 S159P115-K162 HydrophobicContact CB-CB 3.66Å; P115-K162 HydrophobicContact CB-CG 4.11Å; P115-K162 HydrophobicContact CG-CB 3.99Å; P115-K162 HydrophobicContact CG-CD 4.43Å; P115-K162 HydrophobicContact CG-CG 4.13Å; I158-K162 HydrophobicContact CG2-CG 4.3Å; I158-K162 VanDerWaalsContact O-CB 3.32Å; I158-K162 WeakPolarHBondContact O-CB 3.48Å; I158-K162 WeakPolarHBondContact O-CG 3.42Å; I158-K162 PolarHBondContact O-N 3.04Å; I158-K162 VanDerWaalsContact O-N 3.11Å; S159-K162 PolarHBondContact O-N 3.47Å
163M96.5Very high97.5Very high12 Ų1244.8 Ų44.86%0.05923%0.232CC..SBendtrans-134.8140.5-173.7-53.7177.869.600110.1E116 V119 S159 H167 I169 R170E116-M163 HydrophobicContact CG-CE 4.07Å; V119-M163 HydrophobicContact CB-SD 3.92Å; V119-M163 HydrophobicContact CG1-SD 3.96Å; V119-M163 HydrophobicContact CG2-SD 3.79Å; S159-M163 WeakPolarHBondContact O-CB 3.49Å; S159-M163 PolarHBondContact O-N 3.31Å; M163-H167 HydrophobicContact CB-CB 4.32Å; M163-H167 HydrophobicContact CE-CB 4.22Å; M163-H167 WeakPolarHBondContact CE-CE1 3.39Å; M163-H167 VanDerWaalsContact CE-CG 3.45Å; M163-H167 WeakPolarHBondContact CE-ND1 3.33Å; M163-I169 HydrophobicContact CE-CB 3.72Å; M163-I169 HydrophobicContact CE-CG2 3.95Å; M163-R170 HydrophobicContact CB-CB 4.31Å; M163-R170 HydrophobicContact CE-CB 4.4Å; M163-R170 PolarHBondContact O-NH1 3.01Å
164Q96.1Very high97.5Very high118 Ų11841.8 Ų41.855%0.55122%0.218SC*.  trans-62.9147.1175.5-63.3-59.6-11.300110.9T166 H167 R170 E205Q164-T166 PolarHBondContact O-N 3.35Å; Q164-T166 VanDerWaalsContact O-N 3.16Å; Q164-H167 WeakPolarHBondContact O-CB 3.35Å; Q164-H167 PolarHBondContact O-N 2.93Å; Q164-R170 WeakPolarHBondContact O-CD 3.24Å; Q164-E205 PolarHBondContact OE1-OE2 3.15Å
165P97.2Very high97.5Very high12 Ų1239.2 Ų39.28%0.07820%0.204CC..THydrogen-bonded Turntrans-52.4-33.4174.9-2836.4000114.1H167 L171 D201 E205P165-H167 VanDerWaalsContact C-N 3.29Å; P165-H167 PolarHBondContact O-N 3.38Å; P165-L171 WeakPolarHBondContact O-CG 3.36Å; P165-D201 HydrophobicContact CB-CB 3.82Å; P165-D201 HydrophobicContact CG-CB 4.28Å; P165-E205 WeakPolarHBondContact CD-OE2 3.48Å
166T96.5Very high97.5Very high5 Ų540.6 Ų40.63%0.03121%0.212CC..THydrogen-bonded Turntrans-80.4-2.9178.855.90000114.1Q164 A202 E205 S217Q164-T166 PolarHBondContact O-N 3.35Å; Q164-T166 VanDerWaalsContact O-N 3.16Å; T166-A202 HydrophobicContact CG2-CB 4.37Å; T166-A202 WeakPolarHBondContact CG2-O 3.36Å; T166-E205 HydrophobicContact CG2-CB 4.01Å; T166-E205 WeakPolarHBondContact CG2-O 3.31Å; T166-S217 WeakPolarHBondContact O-CB 3.46Å; T166-S217 PolarHBondContact O-OG 3.03Å
167H96.4Very high97.5Very high36 Ų3638.6 Ų38.617%0.16720%0.203CC..  trans-68.8128.1-176.8-171.9-59.7000111.3E116 M163 Q164 P165 I169 R170 L171E116-H167 IonicContact OE1-NE2 3.44Å; E116-H167 PolarHBondContact OE1-NE2 2.93Å; E116-H167 IonicContact OE2-NE2 3.96Å; M163-H167 HydrophobicContact CB-CB 4.32Å; M163-H167 HydrophobicContact CE-CB 4.22Å; M163-H167 WeakPolarHBondContact CE-CE1 3.39Å; M163-H167 VanDerWaalsContact CE-CG 3.45Å; M163-H167 WeakPolarHBondContact CE-ND1 3.33Å; Q164-H167 WeakPolarHBondContact O-CB 3.35Å; Q164-H167 PolarHBondContact O-N 2.93Å; P165-H167 VanDerWaalsContact C-N 3.29Å; P165-H167 PolarHBondContact O-N 3.38Å; H167-I169 PolarHBondContact ND1-N 3.13Å; H167-I169 VanDerWaalsContact ND1-N 3.12Å; H167-I169 PolarHBondContact O-N 3.18Å; H167-R170 HydrophobicContact CB-CB 4.27Å; H167-R170 PolarHBondContact O-N 3.24Å; H167-L171 PolarHBondContact O-N 3.11Å
168P96.9Very high97.5Very high20 Ų2034 Ų3413%0.1318%0.179CC..Hα-helixtrans-53.6-44.3-175.1-25.629.1000114.6R170 L171 G172 D216 S217 I220P168-R170 PolarHBondContact O-N 2.97Å; P168-L171 PolarHBondContact O-N 3.38Å; P168-G172 PolarHBondContact O-N 2.84Å; P168-D216 HydrophobicContact CB-CB 4.14Å; P168-D216 HydrophobicContact CG-CB 4.11Å; P168-S217 WeakPolarHBondContact CD-OG 3.29Å; P168-S217 VanDerWaalsContact CG-OG 3.32Å; P168-S217 WeakPolarHBondContact CG-OG 3.41Å; P168-I220 HydrophobicContact CB-CD1 4.15Å; P168-I220 VanDerWaalsContact O-CD1 3.31Å; P168-I220 WeakPolarHBondContact O-CD1 3.25Å
169I97.8Very high97.5Very high21 Ų2133.1 Ų33.111%0.10818%0.175CC..Hα-helixtrans-62.2-40.7176.9-62.3172.9000112.5E116 V119 F120 M163 H167 G172 L173E116-I169 HydrophobicContact CB-CD1 4.25Å; V119-I169 HydrophobicContact CB-CG2 4.32Å; V119-I169 HydrophobicContact CG1-CG2 3.79Å; F120-I169 HydrophobicContact CB-CD1 4.37Å; F120-I169 HydrophobicContact CB-CG2 4.41Å; F120-I169 HydrophobicContact CD2-CD1 4.01Å; F120-I169 HydrophobicContact CD2-CG1 4.2Å; M163-I169 HydrophobicContact CE-CB 3.72Å; M163-I169 HydrophobicContact CE-CG2 3.95Å; H167-I169 PolarHBondContact ND1-N 3.13Å; H167-I169 VanDerWaalsContact ND1-N 3.12Å; H167-I169 PolarHBondContact O-N 3.18Å; I169-G172 PolarHBondContact O-N 2.69Å; I169-L173 WeakPolarHBondContact O-CB 3.24Å; I169-L173 PolarHBondContact O-N 3.23Å
170R98.1Very high97.6Very high33 Ų3333.1 Ų33.113%0.12518%0.175CC..Hα-helixtrans-68.1-44.4178.8177.7175.4168.9-178.2-9110.8M163 Q164 H167 P168 L173 A174 D201M163-R170 HydrophobicContact CB-CB 4.31Å; M163-R170 HydrophobicContact CE-CB 4.4Å; M163-R170 PolarHBondContact O-NH1 3.01Å; Q164-R170 WeakPolarHBondContact O-CD 3.24Å; H167-R170 HydrophobicContact CB-CB 4.27Å; H167-R170 PolarHBondContact O-N 3.24Å; P168-R170 PolarHBondContact O-N 2.97Å; R170-L173 WeakPolarHBondContact O-CB 3.26Å; R170-L173 PolarHBondContact O-N 3.42Å; R170-A174 PolarHBondContact O-N 3.3Å; R170-D201 IonicContact NH2-OD2 3.85Å
171L98.5Very high97.7Very high2 Ų227.7 Ų27.71%0.0115%0.151CC..Hα-helixtrans-59.9-46173.2-74.8170000111.6P165 H167 P168 L173 A174 L175 A202 I220 M221 L224P165-L171 WeakPolarHBondContact O-CG 3.36Å; H167-L171 PolarHBondContact O-N 3.11Å; P168-L171 PolarHBondContact O-N 3.38Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 PolarHBondContact O-N 2.88Å; L171-A174 PolarHBondContact O-N 3.21Å; L171-A174 VanDerWaalsContact O-N 3.17Å; L171-L175 PolarHBondContact O-N 3.46Å; L171-A202 HydrophobicContact CD2-CB 3.74Å; L171-I220 HydrophobicContact CB-CB 4.17Å; L171-I220 HydrophobicContact CB-CD1 4.47Å; L171-I220 HydrophobicContact CB-CG2 3.62Å; L171-M221 HydrophobicContact CD1-CG 3.9Å; L171-M221 HydrophobicContact CD1-SD 4.35Å; L171-M221 HydrophobicContact CD2-CG 4.05Å; L171-L224 HydrophobicContact CD2-CD1 3.97Å
172G98.5Very high97.9Very high9 Ų927.7 Ų27.79%0.09313%0.132CC..Hα-helixtrans-64.1-32.4178.300000112.9K123 P168 I169 N176K123-G172 WeakPolarHBondContact CE-O 3.2Å; P168-G172 PolarHBondContact O-N 2.84Å; I169-G172 PolarHBondContact O-N 2.69Å; G172-N176 PolarHBondContact O-N 2.9Å; G172-N176 VanDerWaalsContact O-N 3.09Å
173L98.8Very high97.9Very high0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-64.4-49.5170.917063.5000111.2V119 K123 Y152 A155 F156 I169 R170 L171 L175 N176 F177V119-L173 HydrophobicContact CG1-CD2 4.04Å; K123-L173 HydrophobicContact CB-CD1 4Å; K123-L173 HydrophobicContact CD-CB 4.1Å; K123-L173 HydrophobicContact CG-CB 4.28Å; K123-L173 HydrophobicContact CG-CD1 3.96Å; Y152-L173 HydrophobicContact CD1-CD1 3.71Å; Y152-L173 HydrophobicContact CE1-CD1 4.43Å; A155-L173 VanDerWaalsContact C-CD2 3.49Å; A155-L173 HydrophobicContact CB-CD1 3.8Å; A155-L173 HydrophobicContact CB-CD2 3.66Å; A155-L173 HydrophobicContact CB-CG 4.4Å; F156-L173 HydrophobicContact CB-CD2 4.17Å; F156-L173 HydrophobicContact CD2-CD2 4.33Å; I169-L173 WeakPolarHBondContact O-CB 3.24Å; I169-L173 PolarHBondContact O-N 3.23Å; R170-L173 WeakPolarHBondContact O-CB 3.26Å; R170-L173 PolarHBondContact O-N 3.42Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 PolarHBondContact O-N 2.88Å; L173-L175 VanDerWaalsContact C-N 3.3Å; L173-L175 PolarHBondContact O-N 3.36Å; L173-N176 PolarHBondContact O-N 3.24Å; L173-F177 VanDerWaalsContact O-CB 3.25Å; L173-F177 WeakPolarHBondContact O-CB 3.49Å; L173-F177 PolarHBondContact O-N 3.37Å
174A98.8Very high97.9Very high3 Ų325.4 Ų25.43%0.02512%0.124CC..Hα-helixtrans-60.4-40.5178.100000112R170 L171 S178 A198R170-A174 PolarHBondContact O-N 3.3Å; L171-A174 PolarHBondContact O-N 3.21Å; L171-A174 VanDerWaalsContact O-N 3.17Å; A174-S178 VanDerWaalsContact O-CB 3.3Å; A174-S178 WeakPolarHBondContact O-CB 3.44Å; A174-S178 PolarHBondContact O-N 2.87Å; A174-S178 PolarHBondContact O-OG 3Å; A174-A198 HydrophobicContact CB-CB 3.4Å; A174-A198 VanDerWaalsContact CB-CB 3.4Å
175L98.8Very high98Very high21 Ų2122.1 Ų22.111%0.1111%0.109CC..Hα-helixtrans-58.5-52.2174.7177.664.2000111.2L171 L173 S178 V179 I220 L223 L224 N227L171-L175 PolarHBondContact O-N 3.46Å; L173-L175 VanDerWaalsContact C-N 3.3Å; L173-L175 PolarHBondContact O-N 3.36Å; L175-S178 PolarHBondContact O-OG 3.18Å; L175-V179 VanDerWaalsContact O-CG2 3.32Å; L175-V179 WeakPolarHBondContact O-CG2 3.44Å; L175-V179 PolarHBondContact O-N 3.38Å; L175-V179 VanDerWaalsContact O-N 3.16Å; L175-I220 HydrophobicContact CB-CG2 4.29Å; L175-I220 HydrophobicContact CD2-CG2 4.17Å; L175-L223 HydrophobicContact CD1-CB 4.13Å; L175-L223 HydrophobicContact CD2-CB 3.94Å; L175-L223 HydrophobicContact CD2-CD1 3.92Å; L175-L224 HydrophobicContact CB-CD2 3.93Å; L175-L224 HydrophobicContact CB-CG 4.24Å; L175-L224 HydrophobicContact CD1-CD2 4Å; L175-L224 HydrophobicContact CD1-CG 4.22Å; L175-N227 VanDerWaalsContact CD1-ND2 3.31Å; L175-N227 WeakPolarHBondContact CD1-ND2 2.95Å
176N98.6Very high98Very high30 Ų3028.1 Ų28.116%0.1614%0.141CC..Hα-helixtrans-72.2-35.1-176-75.715.9000112.9K123 D127 Y152 G172 L173 V179 F180K123-N176 PolarHBondContact NZ-ND2 3.36Å; D127-N176 VanDerWaalsContact OD1-CB 3.32Å; D127-N176 WeakPolarHBondContact OD1-CB 3.39Å; D127-N176 PolarHBondContact OD1-ND2 3.32Å; D127-N176 PolarHBondContact OD2-ND2 2.88Å; Y152-N176 HydrophobicContact CE1-CB 4.15Å; G172-N176 PolarHBondContact O-N 2.9Å; G172-N176 VanDerWaalsContact O-N 3.09Å; L173-N176 PolarHBondContact O-N 3.24Å; N176-V179 PolarHBondContact O-N 3.13Å; N176-F180 PolarHBondContact O-N 2.86Å
177F98.8Very high98Very high2 Ų229.5 Ų29.51%0.00915%0.151CC..Hα-helixtrans-72.9-34.2178.6-166.8-170.1000111.8Y152 F156 L173 F180 Y181 L194Y152-F177 VanDerWaalsContact CB-CD2 3.46Å; Y152-F177 VanDerWaalsContact CB-CE2 3.48Å; Y152-F177 HydrophobicContact CD1-CB 4.09Å; Y152-F177 HydrophobicContact CD1-CD2 4.47Å; Y152-F177 HydrophobicContact CD1-CG 4.32Å; Y152-F177 AromaticContact CD2-CD2 3.62Å; Y152-F177 HydrophobicContact CD2-CD2 3.62Å; Y152-F177 HydrophobicContact CD2-CE2 4.02Å; Y152-F177 HydrophobicContact CD2-CG 4.27Å; Y152-F177 HydrophobicContact CE2-CD2 4.45Å; Y152-F177 HydrophobicContact CG-CB 4.09Å; Y152-F177 HydrophobicContact CG-CD1 4.46Å; Y152-F177 AromaticContact CG-CD2 3.63Å; Y152-F177 HydrophobicContact CG-CD2 3.63Å; Y152-F177 HydrophobicContact CG-CE2 4.07Å; Y152-F177 AromaticContact CG-CG 3.85Å; Y152-F177 HydrophobicContact CG-CG 3.85Å; F156-F177 HydrophobicContact CB-CE1 4.41Å; L173-F177 VanDerWaalsContact O-CB 3.25Å; L173-F177 WeakPolarHBondContact O-CB 3.49Å; L173-F177 PolarHBondContact O-N 3.37Å; F177-F180 HydrophobicContact CD2-CB 4.27Å; F177-F180 AromaticContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CG 4.4Å; F177-F180 AromaticContact CE2-CD1 3.71Å; F177-F180 HydrophobicContact CE2-CD1 3.71Å; F177-F180 HydrophobicContact CE2-CE1 4.12Å; F177-F180 WeakPolarHBondContact O-CB 3.25Å; F177-F180 PolarHBondContact O-N 3.01Å; F177-Y181 HydrophobicContact CD1-CE2 4.18Å; F177-Y181 AromaticContact CD2-CD2 3.94Å; F177-Y181 HydrophobicContact CD2-CD2 3.94Å; F177-Y181 AromaticContact CD2-CE2 3.58Å; F177-Y181 HydrophobicContact CD2-CE2 3.58Å; F177-Y181 HydrophobicContact CE1-CE2 4Å; F177-Y181 HydrophobicContact CE2-CD2 4.1Å; F177-Y181 HydrophobicContact CE2-CE1 4.43Å; F177-Y181 AromaticContact CE2-CE2 3.37Å; F177-Y181 HydrophobicContact CE2-CE2 3.37Å; F177-Y181 AromaticContact CE2-CZ 3.57Å; F177-Y181 HydrophobicContact CG-CD2 4.41Å; F177-Y181 AromaticContact CG-CE2 4Å; F177-Y181 HydrophobicContact CG-CE2 4Å; F177-Y181 AromaticContact CZ-CE2 3.61Å; F177-Y181 HydrophobicContact CZ-CE2 3.61Å; F177-Y181 AromaticContact CZ-CZ 3.66Å; F177-Y181 VanDerWaalsContact CZ-OH 3.24Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.42Å; F177-Y181 WeakPolarHBondContact O-CD2 3.3Å; F177-Y181 PolarHBondContact O-N 3.04Å; F177-L194 HydrophobicContact CB-CD2 3.81Å; F177-L194 HydrophobicContact CD1-CD2 3.77Å; F177-L194 HydrophobicContact CG-CD2 3.81Å
178S98.7Very high98Very high0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-65.5-40.9171.457.20000111.8A174 L175 F180 Y181 Y182 A191A174-S178 VanDerWaalsContact O-CB 3.3Å; A174-S178 WeakPolarHBondContact O-CB 3.44Å; A174-S178 PolarHBondContact O-N 2.87Å; A174-S178 PolarHBondContact O-OG 3Å; L175-S178 PolarHBondContact O-OG 3.18Å; S178-F180 VanDerWaalsContact C-N 3.3Å; S178-F180 PolarHBondContact O-N 2.87Å; S178-Y181 PolarHBondContact O-N 2.81Å; S178-Y181 VanDerWaalsContact O-N 3.17Å; S178-Y182 PolarHBondContact O-N 3.42Å; S178-A191 WeakPolarHBondContact CB-O 3.31Å; S178-A191 VanDerWaalsContact O-CB 3.25Å; S178-A191 WeakPolarHBondContact O-CB 3.42Å
179V98.4Very high98Very high19 Ų1934.5 Ų34.512%0.11518%0.179CC..Hα-helixtrans-59.5-39.6171.8172.90000111.5L175 N176 Y182 E183 W231L175-V179 VanDerWaalsContact O-CG2 3.32Å; L175-V179 WeakPolarHBondContact O-CG2 3.44Å; L175-V179 PolarHBondContact O-N 3.38Å; L175-V179 VanDerWaalsContact O-N 3.16Å; N176-V179 PolarHBondContact O-N 3.13Å; V179-Y182 PolarHBondContact O-N 2.98Å; V179-E183 VanDerWaalsContact CG1-CD 3.46Å; V179-E183 HydrophobicContact CG1-CG 3.97Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.11Å; V179-E183 WeakPolarHBondContact O-CB 3.37Å; V179-E183 PolarHBondContact O-N 3.44Å; V179-W231 HydrophobicContact CG2-CH2 4Å; V179-W231 HydrophobicContact CG2-CZ2 3.99Å
180F98.7Very high98Very high0 Ų038.7 Ų38.70%020%0.197CC..Hα-helixtrans-59.5-48.2172.9170.4-101.7000112.4R130 V145 S148 Q149 Y152 N176 F177 S178 Y182 I184 L185R130-F180 HydrophobicContact CB-CD2 4.28Å; R130-F180 HydrophobicContact CG-CD2 4.35Å; V145-F180 HydrophobicContact CG1-CE2 4.44Å; V145-F180 HydrophobicContact CG1-CZ 4.11Å; S148-F180 WeakPolarHBondContact OG-CD2 3.44Å; S148-F180 WeakPolarHBondContact OG-CE2 3.39Å; Q149-F180 HydrophobicContact CB-CE1 3.84Å; Q149-F180 HydrophobicContact CB-CZ 3.84Å; Q149-F180 HydrophobicContact CG-CE1 4.2Å; Y152-F180 HydrophobicContact CD2-CB 4.16Å; Y152-F180 HydrophobicContact CD2-CD1 4.25Å; Y152-F180 HydrophobicContact CD2-CG 4.05Å; Y152-F180 HydrophobicContact CE2-CB 3.68Å; Y152-F180 HydrophobicContact CE2-CD2 4.14Å; Y152-F180 AromaticContact CE2-CG 3.86Å; Y152-F180 HydrophobicContact CE2-CG 3.86Å; N176-F180 PolarHBondContact O-N 2.86Å; F177-F180 HydrophobicContact CD2-CB 4.27Å; F177-F180 AromaticContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CD1 3.77Å; F177-F180 HydrophobicContact CD2-CG 4.4Å; F177-F180 AromaticContact CE2-CD1 3.71Å; F177-F180 HydrophobicContact CE2-CD1 3.71Å; F177-F180 HydrophobicContact CE2-CE1 4.12Å; F177-F180 WeakPolarHBondContact O-CB 3.25Å; F177-F180 PolarHBondContact O-N 3.01Å; S178-F180 VanDerWaalsContact C-N 3.3Å; S178-F180 PolarHBondContact O-N 2.87Å; F180-Y182 VanDerWaalsContact C-N 3.28Å; F180-Y182 PolarHBondContact O-N 3.47Å; F180-I184 HydrophobicContact CD2-CB 3.74Å; F180-I184 HydrophobicContact CD2-CG1 3.79Å; F180-I184 HydrophobicContact CD2-CG2 4.09Å; F180-I184 HydrophobicContact CE2-CB 3.85Å; F180-I184 HydrophobicContact CE2-CG1 4.27Å; F180-I184 HydrophobicContact CE2-CG2 3.69Å; F180-I184 WeakPolarHBondContact O-CA 3.4Å; F180-I184 WeakPolarHBondContact O-CB 3.39Å; F180-I184 PolarHBondContact O-N 2.97Å; F180-L185 HydrophobicContact CD1-CD1 4.07Å; F180-L185 HydrophobicContact CD1-CG 4.31Å; F180-L185 HydrophobicContact CE1-CD1 3.33Å; F180-L185 HydrophobicContact CE1-CD2 4.42Å; F180-L185 HydrophobicContact CE1-CG 3.65Å; F180-L185 HydrophobicContact CZ-CD1 3.87Å; F180-L185 HydrophobicContact CZ-CD2 4.13Å; F180-L185 HydrophobicContact CZ-CG 3.75Å; F180-L185 PolarHBondContact O-N 3.27Å
181Y98.6Very high98Very high26 Ų2637.1 Ų37.110%0.10219%0.191CC..Hα-helixtrans-58.5-42.3177.5-80.7-63.4000112F177 S178 L185 N186 S187 K190 L194F177-Y181 HydrophobicContact CD1-CE2 4.18Å; F177-Y181 AromaticContact CD2-CD2 3.94Å; F177-Y181 HydrophobicContact CD2-CD2 3.94Å; F177-Y181 AromaticContact CD2-CE2 3.58Å; F177-Y181 HydrophobicContact CD2-CE2 3.58Å; F177-Y181 HydrophobicContact CE1-CE2 4Å; F177-Y181 HydrophobicContact CE2-CD2 4.1Å; F177-Y181 HydrophobicContact CE2-CE1 4.43Å; F177-Y181 AromaticContact CE2-CE2 3.37Å; F177-Y181 HydrophobicContact CE2-CE2 3.37Å; F177-Y181 AromaticContact CE2-CZ 3.57Å; F177-Y181 HydrophobicContact CG-CD2 4.41Å; F177-Y181 AromaticContact CG-CE2 4Å; F177-Y181 HydrophobicContact CG-CE2 4Å; F177-Y181 AromaticContact CZ-CE2 3.61Å; F177-Y181 HydrophobicContact CZ-CE2 3.61Å; F177-Y181 AromaticContact CZ-CZ 3.66Å; F177-Y181 VanDerWaalsContact CZ-OH 3.24Å; F177-Y181 WeakPolarHBondContact CZ-OH 3.42Å; F177-Y181 WeakPolarHBondContact O-CD2 3.3Å; F177-Y181 PolarHBondContact O-N 3.04Å; S178-Y181 PolarHBondContact O-N 2.81Å; S178-Y181 VanDerWaalsContact O-N 3.17Å; Y181-L185 HydrophobicContact CD1-CD1 3.6Å; Y181-L185 HydrophobicContact CE1-CD1 3.72Å; Y181-L185 CarbonylContact O-C 3.59Å; Y181-N186 PolarHBondContact O-N 3.5Å; Y181-S187 PolarHBondContact O-N 2.78Å; Y181-K190 HydrophobicContact CD1-CB 3.87Å; Y181-K190 HydrophobicContact CD1-CD 4Å; Y181-K190 HydrophobicContact CE1-CB 4.32Å; Y181-K190 HydrophobicContact CE1-CD 3.89Å; Y181-K190 HydrophobicContact CG-CB 4Å; Y181-L194 HydrophobicContact CD2-CD2 4.01Å; Y181-L194 HydrophobicContact CE2-CD2 3.94Å
182Y98.2Very high98Very high63 Ų6338 Ų3825%0.24720%0.197CC..Hα-helixtrans-71.6-60.1-179.7-174.8-88.4000111.7S178 V179 F180 N186 P188 W231 D234S178-Y182 PolarHBondContact O-N 3.42Å; V179-Y182 PolarHBondContact O-N 2.98Å; F180-Y182 VanDerWaalsContact C-N 3.28Å; F180-Y182 PolarHBondContact O-N 3.47Å; Y182-N186 WeakPolarHBondContact O-CA 3.31Å; Y182-N186 PolarHBondContact O-N 3.33Å; Y182-P188 HydrophobicContact CD2-CB 4.06Å; Y182-P188 HydrophobicContact CE2-CB 4.24Å; Y182-W231 AromaticContact CD1-CD1 3.99Å; Y182-W231 HydrophobicContact CD1-CZ2 4.5Å; Y182-W231 AromaticContact CD1-NE1 3.53Å; Y182-W231 HydrophobicContact CD2-CB 3.99Å; Y182-W231 AromaticContact CD2-CD1 3.43Å; Y182-W231 VanDerWaalsContact CD2-CD1 3.43Å; Y182-W231 AromaticContact CD2-CD2 3.73Å; Y182-W231 HydrophobicContact CD2-CD2 3.73Å; Y182-W231 AromaticContact CD2-CE2 3.85Å; Y182-W231 AromaticContact CD2-CG 3.45Å; Y182-W231 HydrophobicContact CD2-CG 3.45Å; Y182-W231 VanDerWaalsContact CD2-CG 3.45Å; Y182-W231 AromaticContact CD2-NE1 3.65Å; Y182-W231 AromaticContact CE1-CD1 3.74Å; Y182-W231 AromaticContact CE1-NE1 3.6Å; Y182-W231 HydrophobicContact CE2-CB 3.74Å; Y182-W231 AromaticContact CE2-CD1 3.12Å; Y182-W231 HydrophobicContact CE2-CD2 4.19Å; Y182-W231 AromaticContact CE2-CG 3.42Å; Y182-W231 HydrophobicContact CE2-CG 3.42Å; Y182-W231 VanDerWaalsContact CE2-CG 3.42Å; Y182-W231 AromaticContact CE2-NE1 3.71Å; Y182-W231 AromaticContact CG-CD1 3.86Å; Y182-W231 HydrophobicContact CG-CD2 4.04Å; Y182-W231 AromaticContact CG-CE2 3.68Å; Y182-W231 HydrophobicContact CG-CG 4.12Å; Y182-W231 HydrophobicContact CG-CZ2 4.17Å; Y182-W231 AromaticContact CG-NE1 3.56Å; Y182-W231 AromaticContact CZ-CD1 3.29Å; Y182-W231 AromaticContact CZ-NE1 3.69Å; Y182-D234 PolarHBondContact OH-OD2 2.87Å
183E96.5Very high97.9Very high100 Ų10044.4 Ų44.447%0.46723%0.225SC..Hα-helixtrans-78.1-30.8-169.3-63.5-176.3166.900113.9R130 V179R130-E183 IonicContact NH1-OE2 3.05Å; V179-E183 VanDerWaalsContact CG1-CD 3.46Å; V179-E183 HydrophobicContact CG1-CG 3.97Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.11Å; V179-E183 WeakPolarHBondContact O-CB 3.37Å; V179-E183 PolarHBondContact O-N 3.44Å
184I97.9Very high97.9Very high13 Ų1345.5 Ų45.57%0.06723%0.23CC..THydrogen-bonded Turntrans-105.6-45.7-171.4-53.6-57.1000112.2R130 A133 E134 R141 V145 F180R130-I184 HydrophobicContact CG-CD1 4.12Å; R130-I184 HydrophobicContact CG-CG1 3.77Å; A133-I184 HydrophobicContact CB-CD1 4.3Å; A133-I184 HydrophobicContact CB-CG2 3.9Å; E134-I184 HydrophobicContact CG-CD1 3.98Å; R141-I184 PolarHBondContact NH2-O 2.98Å; R141-I184 VanDerWaalsContact NH2-O 3.1Å; V145-I184 HydrophobicContact CG1-CG2 4.39Å; V145-I184 HydrophobicContact CG2-CG2 3.65Å; F180-I184 HydrophobicContact CD2-CB 3.74Å; F180-I184 HydrophobicContact CD2-CG1 3.79Å; F180-I184 HydrophobicContact CD2-CG2 4.09Å; F180-I184 HydrophobicContact CE2-CB 3.85Å; F180-I184 HydrophobicContact CE2-CG1 4.27Å; F180-I184 HydrophobicContact CE2-CG2 3.69Å; F180-I184 WeakPolarHBondContact O-CA 3.4Å; F180-I184 WeakPolarHBondContact O-CB 3.39Å; F180-I184 PolarHBondContact O-N 2.97Å
185L97.5Very high97.9Very high49 Ų4945.3 Ų45.326%0.25723%0.229SC..THydrogen-bonded Turntrans-90.4-2.7179.8-67-176.1000113.5V145 F180 Y181 S187V145-L185 HydrophobicContact CG1-CD2 3.52Å; F180-L185 HydrophobicContact CD1-CD1 4.07Å; F180-L185 HydrophobicContact CD1-CG 4.31Å; F180-L185 HydrophobicContact CE1-CD1 3.33Å; F180-L185 HydrophobicContact CE1-CD2 4.42Å; F180-L185 HydrophobicContact CE1-CG 3.65Å; F180-L185 HydrophobicContact CZ-CD1 3.87Å; F180-L185 HydrophobicContact CZ-CD2 4.13Å; F180-L185 HydrophobicContact CZ-CG 3.75Å; F180-L185 PolarHBondContact O-N 3.27Å; Y181-L185 HydrophobicContact CD1-CD1 3.6Å; Y181-L185 HydrophobicContact CE1-CD1 3.72Å; Y181-L185 CarbonylContact O-C 3.59Å; L185-S187 PolarHBondContact O-N 3.14Å; L185-S187 VanDerWaalsContact O-N 3.14Å; L185-S187 PolarHBondContact O-OG 3.27Å
186N96.5Very high97.9Very high139 Ų13950 Ų5074%0.74325%0.249SC*.  trans47.643.8-177.8-165.248.2000112.1Y181 Y182 P188Y181-N186 PolarHBondContact O-N 3.5Å; Y182-N186 WeakPolarHBondContact O-CA 3.31Å; Y182-N186 PolarHBondContact O-N 3.33Å; N186-P188 VanDerWaalsContact C-CD 3.41Å; N186-P188 VanDerWaalsContact O-CD 3.32Å; N186-P188 WeakPolarHBondContact O-CD 3.28Å
187S97.4Very high97.8Very high33 Ų3353.6 Ų53.623%0.23126%0.264CS..  trans-120.569.3-173.8-66.40000110Y181 L185 D189 K190 A191Y181-S187 PolarHBondContact O-N 2.78Å; L185-S187 PolarHBondContact O-N 3.14Å; L185-S187 VanDerWaalsContact O-N 3.14Å; L185-S187 PolarHBondContact O-OG 3.27Å; S187-D189 VanDerWaalsContact C-N 3.29Å; S187-D189 PolarHBondContact O-N 3.47Å; S187-K190 PolarHBondContact O-N 2.87Å; S187-A191 PolarHBondContact O-N 3.4Å
188P96.7Very high97.8Very high33 Ų3354.2 Ų54.221%0.21427%0.27CS..Hα-helixtrans-58.7-38-175.423.2-33.8000112.7Y182 N186 K190 A191 C192 T235Y182-P188 HydrophobicContact CD2-CB 4.06Å; Y182-P188 HydrophobicContact CE2-CB 4.24Å; N186-P188 VanDerWaalsContact C-CD 3.41Å; N186-P188 VanDerWaalsContact O-CD 3.32Å; N186-P188 WeakPolarHBondContact O-CD 3.28Å; P188-K190 PolarHBondContact O-N 3.48Å; P188-A191 WeakPolarHBondContact O-CB 3.32Å; P188-A191 PolarHBondContact O-N 3.4Å; P188-C192 WeakPolarHBondContact O-CB 3.26Å; P188-C192 PolarHBondContact O-N 2.88Å; P188-C192 PolarHBondContact O-SG 3.27Å; P188-C192 VanDerWaalsContact O-SG 3.4Å; P188-T235 HydrophobicContact CB-CG2 4.25Å; P188-T235 HydrophobicContact CG-CG2 4.37Å
189D96.3Very high97.8Very high128 Ų12856.2 Ų56.268%0.68428%0.279SS*.Hα-helixtrans-58.3-46177.2-64.8-31.8000112.4S187 Q193S187-D189 VanDerWaalsContact C-N 3.29Å; S187-D189 PolarHBondContact O-N 3.47Å; D189-Q193 VanDerWaalsContact O-CB 3.24Å; D189-Q193 WeakPolarHBondContact O-CB 3.36Å; D189-Q193 PolarHBondContact O-N 2.96Å
190K97.6Very high97.8Very high110 Ų11058.9 Ų58.948%0.47829%0.292SS..Hα-helixtrans-67.7-39177.8-70.3-175.5178.5176.20111.5Y181 S187 P188 L194Y181-K190 HydrophobicContact CD1-CB 3.87Å; Y181-K190 HydrophobicContact CD1-CD 4Å; Y181-K190 HydrophobicContact CE1-CB 4.32Å; Y181-K190 HydrophobicContact CE1-CD 3.89Å; Y181-K190 HydrophobicContact CG-CB 4Å; S187-K190 PolarHBondContact O-N 2.87Å; P188-K190 PolarHBondContact O-N 3.48Å; K190-L194 WeakPolarHBondContact O-CB 3.48Å; K190-L194 PolarHBondContact O-N 3.4Å
191A98.1Very high97.7Very high0 Ų061.2 Ų61.20%031%0.305CS..Hα-helixtrans-61.1-50.6176.500000111.1S178 S187 P188 L194 A195 W231S178-A191 WeakPolarHBondContact CB-O 3.31Å; S178-A191 VanDerWaalsContact O-CB 3.25Å; S178-A191 WeakPolarHBondContact O-CB 3.42Å; S187-A191 PolarHBondContact O-N 3.4Å; P188-A191 WeakPolarHBondContact O-CB 3.32Å; P188-A191 PolarHBondContact O-N 3.4Å; A191-L194 PolarHBondContact O-N 3.45Å; A191-A195 WeakPolarHBondContact O-CB 3.49Å; A191-A195 PolarHBondContact O-N 2.91Å; A191-W231 HydrophobicContact CB-CE3 4.07Å; A191-W231 HydrophobicContact CB-CZ3 3.95Å
192C98Very high97.6Very high21 Ų2160 Ų6014%0.14230%0.3CS..Hα-helixtrans-63.5-44177.8-71.80000111.8P188 L194 A195 K196 L228P188-C192 WeakPolarHBondContact O-CB 3.26Å; P188-C192 PolarHBondContact O-N 2.88Å; P188-C192 PolarHBondContact O-SG 3.27Å; P188-C192 VanDerWaalsContact O-SG 3.4Å; C192-L194 PolarHBondContact O-N 2.84Å; C192-A195 PolarHBondContact O-N 3.37Å; C192-K196 WeakPolarHBondContact O-CB 3.41Å; C192-K196 PolarHBondContact O-N 2.87Å; C192-L228 HydrophobicContact CB-CD2 4.12Å; C192-L228 WeakPolarHBondContact O-CD2 3.39Å
193Q97.9Very high97.6Very high143 Ų14360.8 Ų60.867%0.66831%0.308SS*.Hα-helixtrans-58.3-48176.8-175.6-177.916.900111.5D189 Q197D189-Q193 VanDerWaalsContact O-CB 3.24Å; D189-Q193 WeakPolarHBondContact O-CB 3.36Å; D189-Q193 PolarHBondContact O-N 2.96Å; Q193-Q197 WeakPolarHBondContact O-CB 3.29Å; Q193-Q197 PolarHBondContact O-N 2.86Å
194L98.4Very high97.6Very high22 Ų2260.1 Ų60.112%0.11532%0.319CS..Hα-helixtrans-66-47.5-179.3179.261.5000112F156 F177 Y181 K190 A191 C192 Q197 A198F156-L194 HydrophobicContact CD2-CD1 4.37Å; F156-L194 HydrophobicContact CE2-CD1 3.54Å; F156-L194 HydrophobicContact CZ-CD1 3.78Å; F177-L194 HydrophobicContact CB-CD2 3.81Å; F177-L194 HydrophobicContact CD1-CD2 3.77Å; F177-L194 HydrophobicContact CG-CD2 3.81Å; Y181-L194 HydrophobicContact CD2-CD2 4.01Å; Y181-L194 HydrophobicContact CE2-CD2 3.94Å; K190-L194 WeakPolarHBondContact O-CB 3.48Å; K190-L194 PolarHBondContact O-N 3.4Å; A191-L194 PolarHBondContact O-N 3.45Å; C192-L194 PolarHBondContact O-N 2.84Å; L194-Q197 PolarHBondContact O-N 3.38Å; L194-A198 WeakPolarHBondContact O-CB 3.28Å; L194-A198 PolarHBondContact O-N 3.28Å
195A98.3Very high97.5Very high0 Ų062.9 Ų62.90%033%0.332CS..Hα-helixtrans-64.2-42.1-179.500000111.6A191 C192 A198 F199 L224 L228 W231A191-A195 WeakPolarHBondContact O-CB 3.49Å; A191-A195 PolarHBondContact O-N 2.91Å; C192-A195 PolarHBondContact O-N 3.37Å; A195-A198 PolarHBondContact O-N 3.46Å; A195-F199 WeakPolarHBondContact O-CB 3.37Å; A195-F199 PolarHBondContact O-N 3.17Å; A195-L224 HydrophobicContact CB-CD2 3.87Å; A195-L228 HydrophobicContact CB-CD1 4.32Å; A195-L228 HydrophobicContact CB-CD2 3.84Å; A195-L228 HydrophobicContact CB-CG 3.9Å; A195-W231 HydrophobicContact CB-CZ3 4.32Å
196K98Very high97.2Very high120 Ų12062.4 Ų62.452%0.52233%0.329SS..Hα-helixtrans-64.6-48.2177.4-176.6176180-179.40111.6C192 A198 F199 D200 L228C192-K196 WeakPolarHBondContact O-CB 3.41Å; C192-K196 PolarHBondContact O-N 2.87Å; K196-A198 VanDerWaalsContact C-N 3.31Å; K196-A198 PolarHBondContact O-N 3.07Å; K196-F199 PolarHBondContact O-N 3.46Å; K196-D200 WeakPolarHBondContact CE-OD2 3.48Å; K196-D200 WeakPolarHBondContact CG-OD2 3.3Å; K196-D200 WeakPolarHBondContact O-CB 3.39Å; K196-D200 VanDerWaalsContact O-CG 3.3Å; K196-D200 PolarHBondContact O-N 3.44Å; K196-L228 HydrophobicContact CB-CD1 4.16Å; K196-L228 HydrophobicContact CB-CD2 4.06Å
197Q98.3Very high97Very high104 Ų10464 Ų6449%0.48634%0.338SS..Hα-helixtrans-58.1-45.4177.8-174.568.353.500111.5Q193 L194 F199 D200 D201Q193-Q197 WeakPolarHBondContact O-CB 3.29Å; Q193-Q197 PolarHBondContact O-N 2.86Å; L194-Q197 PolarHBondContact O-N 3.38Å; Q197-F199 VanDerWaalsContact C-N 3.34Å; Q197-F199 PolarHBondContact O-N 3.12Å; Q197-D200 PolarHBondContact O-N 2.82Å; Q197-D201 PolarHBondContact NE2-OD1 2.86Å; Q197-D201 VanDerWaalsContact O-CB 3.32Å; Q197-D201 WeakPolarHBondContact O-CB 3.48Å; Q197-D201 PolarHBondContact O-N 3.02Å
198A98.3Very high96.5Very high16 Ų1667 Ų6713%0.13236%0.355CS..Hα-helixtrans-64.8-38.6179.200000112.6A174 L194 A195 K196 A202 L224A174-A198 HydrophobicContact CB-CB 3.4Å; A174-A198 VanDerWaalsContact CB-CB 3.4Å; L194-A198 WeakPolarHBondContact O-CB 3.28Å; L194-A198 PolarHBondContact O-N 3.28Å; A195-A198 PolarHBondContact O-N 3.46Å; K196-A198 VanDerWaalsContact C-N 3.31Å; K196-A198 PolarHBondContact O-N 3.07Å; A198-A202 VanDerWaalsContact O-CB 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.31Å; A198-A202 PolarHBondContact O-N 2.91Å; A198-A202 VanDerWaalsContact O-N 3.17Å; A198-L224 HydrophobicContact CB-CD1 4.3Å
199F98Very high96.1Very high41 Ų4166.7 Ų66.718%0.1835%0.351CS..Hα-helixtrans-65.8-49.4175.4-175.3-91000111.4A195 K196 Q197 A202 I203 M221 L224 R225A195-F199 WeakPolarHBondContact O-CB 3.37Å; A195-F199 PolarHBondContact O-N 3.17Å; K196-F199 PolarHBondContact O-N 3.46Å; Q197-F199 VanDerWaalsContact C-N 3.34Å; Q197-F199 PolarHBondContact O-N 3.12Å; F199-A202 PolarHBondContact O-N 3.19Å; F199-I203 HydrophobicContact CD1-CG1 3.89Å; F199-I203 HydrophobicContact CE1-CD1 4.08Å; F199-I203 HydrophobicContact CE1-CG1 3.53Å; F199-I203 HydrophobicContact CE2-CG1 4.45Å; F199-I203 HydrophobicContact CG-CG1 4.49Å; F199-I203 HydrophobicContact CZ-CD1 3.92Å; F199-I203 HydrophobicContact CZ-CG1 3.84Å; F199-I203 WeakPolarHBondContact O-CB 3.46Å; F199-I203 VanDerWaalsContact O-CG1 3.3Å; F199-I203 WeakPolarHBondContact O-CG1 3.33Å; F199-I203 PolarHBondContact O-N 3.43Å; F199-M221 HydrophobicContact CD2-CB 4.13Å; F199-M221 WeakPolarHBondContact CD2-O 3.48Å; F199-M221 HydrophobicContact CE2-CB 4.09Å; F199-M221 WeakPolarHBondContact CE2-O 3.3Å; F199-L224 HydrophobicContact CD2-CB 4.49Å; F199-R225 HydrophobicContact CD2-CB 4.32Å; F199-R225 HydrophobicContact CE2-CB 3.93Å; F199-R225 HydrophobicContact CZ-CB 4.47Å
200D98Very high95.7Very high76 Ų7664.8 Ų64.841%0.40634%0.341SS..Hα-helixtrans-64-43.9-178.5-69-15.3000111.4K196 Q197 A202 I203 A204K196-D200 WeakPolarHBondContact CE-OD2 3.48Å; K196-D200 WeakPolarHBondContact CG-OD2 3.3Å; K196-D200 WeakPolarHBondContact O-CB 3.39Å; K196-D200 VanDerWaalsContact O-CG 3.3Å; K196-D200 PolarHBondContact O-N 3.44Å; Q197-D200 PolarHBondContact O-N 2.82Å; D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 3.43Å; D200-I203 PolarHBondContact O-N 2.99Å; D200-A204 WeakPolarHBondContact O-CB 3.45Å; D200-A204 PolarHBondContact O-N 3.07Å
201D97.5Very high95.2Very high48 Ų4868.1 Ų68.126%0.25736%0.359SS..Hα-helixtrans-60.1-42175.6-71.4-14.1000111.5P165 R170 Q197 E205P165-D201 HydrophobicContact CB-CB 3.82Å; P165-D201 HydrophobicContact CG-CB 4.28Å; R170-D201 IonicContact NH2-OD2 3.85Å; Q197-D201 PolarHBondContact NE2-OD1 2.86Å; Q197-D201 VanDerWaalsContact O-CB 3.32Å; Q197-D201 WeakPolarHBondContact O-CB 3.48Å; Q197-D201 PolarHBondContact O-N 3.02Å; D201-E205 PolarHBondContact O-N 3.44Å
202A97.1Very high94.8Very high0 Ų075.3 Ų75.30%040%0.397CS..Hα-helixtrans-74.3-34.8-179.600000112.8T166 L171 A198 F199 D200 A204 E205 L206 M221T166-A202 HydrophobicContact CG2-CB 4.37Å; T166-A202 WeakPolarHBondContact CG2-O 3.36Å; L171-A202 HydrophobicContact CD2-CB 3.74Å; A198-A202 VanDerWaalsContact O-CB 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.31Å; A198-A202 PolarHBondContact O-N 2.91Å; A198-A202 VanDerWaalsContact O-N 3.17Å; F199-A202 PolarHBondContact O-N 3.19Å; D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 3.43Å; A202-A204 VanDerWaalsContact C-N 3.34Å; A202-E205 CarbonylContact O-C 3.48Å; A202-E205 PolarHBondContact O-N 3.25Å; A202-L206 WeakPolarHBondContact O-CA 3.2Å; A202-L206 WeakPolarHBondContact O-CB 3.44Å; A202-L206 PolarHBondContact O-N 3.02Å; A202-M221 HydrophobicContact CB-CE 3.82Å; A202-M221 HydrophobicContact CB-CG 4.3Å; A202-M221 HydrophobicContact CB-SD 3.92Å
203I96.5Very high94.4Very high81 Ų8175.7 Ų75.742%0.41540%0.4SS..Hα-helixtrans-62.3-42.9172.5-74.4-69.9000110.7F199 D200 E205 L206 M221F199-I203 HydrophobicContact CD1-CG1 3.89Å; F199-I203 HydrophobicContact CE1-CD1 4.08Å; F199-I203 HydrophobicContact CE1-CG1 3.53Å; F199-I203 HydrophobicContact CE2-CG1 4.45Å; F199-I203 HydrophobicContact CG-CG1 4.49Å; F199-I203 HydrophobicContact CZ-CD1 3.92Å; F199-I203 HydrophobicContact CZ-CG1 3.84Å; F199-I203 WeakPolarHBondContact O-CB 3.46Å; F199-I203 VanDerWaalsContact O-CG1 3.3Å; F199-I203 WeakPolarHBondContact O-CG1 3.33Å; F199-I203 PolarHBondContact O-N 3.43Å; D200-I203 PolarHBondContact O-N 2.99Å; I203-E205 PolarHBondContact O-N 3.21Å; I203-L206 HydrophobicContact CD1-CD2 4.45Å; I203-L206 PolarHBondContact O-N 2.71Å; I203-M221 HydrophobicContact CB-CE 4.45Å; I203-M221 HydrophobicContact CD1-CE 3.43Å; I203-M221 VanDerWaalsContact CD1-CE 3.43Å; I203-M221 HydrophobicContact CG1-CE 3.6Å
204A96.6Very high94.2Very high86 Ų8674.7 Ų74.771%0.71139%0.391SS*.Hα-helixtrans-62.1-25.6-179.400000113.5D200 A202D200-A204 WeakPolarHBondContact O-CB 3.45Å; D200-A204 PolarHBondContact O-N 3.07Å; A202-A204 VanDerWaalsContact C-N 3.34Å
205E95.5Very high94Very high71 Ų7181.4 Ų81.433%0.33242%0.419SS..THydrogen-bonded Turntrans-115.111.2-178.5-65.1-171.6-154.200113.3Q164 P165 T166 D201 A202 I203 D207 T208Q164-E205 PolarHBondContact OE1-OE2 3.15Å; P165-E205 WeakPolarHBondContact CD-OE2 3.48Å; T166-E205 HydrophobicContact CG2-CB 4.01Å; T166-E205 WeakPolarHBondContact CG2-O 3.31Å; D201-E205 PolarHBondContact O-N 3.44Å; A202-E205 CarbonylContact O-C 3.48Å; A202-E205 PolarHBondContact O-N 3.25Å; I203-E205 PolarHBondContact O-N 3.21Å; E205-D207 PolarHBondContact O-N 3.05Å; E205-T208 WeakPolarHBondContact O-CB 3.29Å; E205-T208 PolarHBondContact O-N 3.24Å; E205-T208 PolarHBondContact O-OG1 3.15Å
206L92.6Very high93.8Very high38 Ų3885.7 Ų85.720%0.19944%0.442CS..G310 helixtrans-59.6-34.3-172.5-17162.9000112.8A202 I203 T208 L209 T218 M221A202-L206 WeakPolarHBondContact O-CA 3.2Å; A202-L206 WeakPolarHBondContact O-CB 3.44Å; A202-L206 PolarHBondContact O-N 3.02Å; I203-L206 HydrophobicContact CD1-CD2 4.45Å; I203-L206 PolarHBondContact O-N 2.71Å; L206-T208 PolarHBondContact O-N 3.31Å; L206-T208 VanDerWaalsContact O-N 3.16Å; L206-L209 HydrophobicContact CD1-CD2 3.99Å; L206-L209 WeakPolarHBondContact O-CB 3.32Å; L206-L209 PolarHBondContact O-N 3.43Å; L206-L209 VanDerWaalsContact O-N 3.14Å; L206-T218 HydrophobicContact CD1-CG2 4.32Å; L206-M221 HydrophobicContact CD1-CE 4.27Å; L206-M221 HydrophobicContact CD1-SD 3.97Å
207D91.2Very high93.8Very high173 Ų17380 Ų8093%0.92542%0.417SS*.G310 helixtrans-65.6-14.9178.5-66.8-23.3000113.4E205E205-D207 PolarHBondContact O-N 3.05Å
208T87.6Confident93.7Very high96 Ų9677 Ų7759%0.58941%0.406SS*.G310 helixtrans-87.7-7.4177.8720000113.4E205 L206E205-T208 WeakPolarHBondContact O-CB 3.29Å; E205-T208 PolarHBondContact O-N 3.24Å; E205-T208 PolarHBondContact O-OG1 3.15Å; L206-T208 PolarHBondContact O-N 3.31Å; L206-T208 VanDerWaalsContact O-N 3.16Å
209L88.6Confident93.7Very high26 Ų2681 Ų8114%0.13643%0.425CS..  trans-74131.8-171.6-169.956.4000111.5L206 Y214L206-L209 HydrophobicContact CD1-CD2 3.99Å; L206-L209 WeakPolarHBondContact O-CB 3.32Å; L206-L209 PolarHBondContact O-N 3.43Å; L206-L209 VanDerWaalsContact O-N 3.14Å; L209-Y214 HydrophobicContact CD2-CD2 3.99Å; L209-Y214 HydrophobicContact CD2-CG 4.48Å; L209-Y214 HydrophobicContact CG-CD2 4.36Å
210N88.1Confident93.7Very high88 Ų8880.4 Ų80.447%0.47142%0.423SS..  trans-73.8157.9174.863.348.1000112.1D212 S213 Y214N210-D212 VanDerWaalsContact C-N 3.28Å; N210-D212 PolarHBondContact O-N 3.41Å; N210-D212 PolarHBondContact OD1-N 2.94Å; N210-S213 PolarHBondContact O-N 2.81Å; N210-S213 VanDerWaalsContact OD1-CB 3.29Å; N210-S213 WeakPolarHBondContact OD1-CB 3.42Å; N210-S213 PolarHBondContact OD1-N 2.89Å; N210-S213 PolarHBondContact OD1-OG 3.39Å; N210-S213 VanDerWaalsContact OD1-OG 3.05Å; N210-Y214 PolarHBondContact O-N 2.94Å; N210-Y214 VanDerWaalsContact O-N 3.08Å
211E87.5Confident93.7Very high181 Ų18177.2 Ų77.285%0.84641%0.406SS*.Hα-helixtrans-59-37.8-178.8-67.6-175.7175.700112.6S213 Y214E211-S213 VanDerWaalsContact C-N 3.33Å; E211-S213 PolarHBondContact O-N 3.05Å; E211-Y214 PolarHBondContact O-N 3.35Å
212D88Confident93.7Very high150 Ų15077.9 Ų77.980%0.80241%0.408SS*.Hα-helixtrans-63.5-35.6-177-66.8-27.3000112.9N210N210-D212 VanDerWaalsContact C-N 3.28Å; N210-D212 PolarHBondContact O-N 3.41Å; N210-D212 PolarHBondContact OD1-N 2.94Å
213S90.9Very high93.8Very high30 Ų3081.4 Ų81.421%0.2143%0.426CS..Hα-helixtrans-96.7-12.7-179.1-55.60000113.2N210 E211 K215 D216 S217N210-S213 PolarHBondContact O-N 2.81Å; N210-S213 VanDerWaalsContact OD1-CB 3.29Å; N210-S213 WeakPolarHBondContact OD1-CB 3.42Å; N210-S213 PolarHBondContact OD1-N 2.89Å; N210-S213 PolarHBondContact OD1-OG 3.39Å; N210-S213 VanDerWaalsContact OD1-OG 3.05Å; E211-S213 VanDerWaalsContact C-N 3.33Å; E211-S213 PolarHBondContact O-N 3.05Å; S213-K215 PolarHBondContact O-N 3.48Å; S213-D216 PolarHBondContact O-N 3.06Å; S213-S217 PolarHBondContact O-N 3.46Å; S213-S217 PolarHBondContact O-OG 3.33Å
214Y92.5Very high93.9Very high121 Ų12177.6 Ų77.648%0.47541%0.406SS..Hα-helixtrans-54.4-49.1-171.6-171.7-90.9000112.8L209 N210 E211 T218L209-Y214 HydrophobicContact CD2-CD2 3.99Å; L209-Y214 HydrophobicContact CD2-CG 4.48Å; L209-Y214 HydrophobicContact CG-CD2 4.36Å; N210-Y214 PolarHBondContact O-N 2.94Å; N210-Y214 VanDerWaalsContact O-N 3.08Å; E211-Y214 PolarHBondContact O-N 3.35Å; Y214-T218 HydrophobicContact CD1-CG2 4.21Å; Y214-T218 HydrophobicContact CE1-CG2 3.89Å; Y214-T218 HydrophobicContact CE2-CG2 4.23Å; Y214-T218 WeakPolarHBondContact O-CB 3.4Å; Y214-T218 VanDerWaalsContact O-CG2 3.28Å; Y214-T218 WeakPolarHBondContact O-CG2 3.5Å; Y214-T218 PolarHBondContact O-N 3.18Å; Y214-T218 PolarHBondContact O-OG1 3.4Å
215K94.7Very high93.9Very high164 Ų16479.1 Ų79.171%0.71339%0.394SS*.Hα-helixtrans-63.6-44.4-177.8-175.2-177.4176-173.70112.3S213 T218 L219S213-K215 PolarHBondContact O-N 3.48Å; K215-T218 PolarHBondContact O-OG1 2.84Å; K215-L219 WeakPolarHBondContact O-CB 3.42Å; K215-L219 PolarHBondContact O-N 2.94Å; K215-L219 VanDerWaalsContact O-N 3.15Å
216D95.3Very high94Very high89 Ų8979 Ų7948%0.47640%0.396SS..Hα-helixtrans-71.5-44.9-176.5-72.5-13.6000111.2P168 S213 L219 I220P168-D216 HydrophobicContact CB-CB 4.14Å; P168-D216 HydrophobicContact CG-CB 4.11Å; S213-D216 PolarHBondContact O-N 3.06Å; D216-L219 PolarHBondContact O-N 3.5Å; D216-I220 WeakPolarHBondContact O-CD1 3.44Å; D216-I220 VanDerWaalsContact O-CG1 3.26Å; D216-I220 WeakPolarHBondContact O-CG1 3.36Å; D216-I220 PolarHBondContact O-N 2.98Å
217S96.7Very high94.2Very high0 Ų078.9 Ų78.90%040%0.395CS..Hα-helixtrans-64.1-45.8178.8-61.80000112.2T166 P168 S213 L219 I220 M221T166-S217 WeakPolarHBondContact O-CB 3.46Å; T166-S217 PolarHBondContact O-OG 3.03Å; P168-S217 WeakPolarHBondContact CD-OG 3.29Å; P168-S217 VanDerWaalsContact CG-OG 3.32Å; P168-S217 WeakPolarHBondContact CG-OG 3.41Å; S213-S217 PolarHBondContact O-N 3.46Å; S213-S217 PolarHBondContact O-OG 3.33Å; S217-L219 VanDerWaalsContact C-N 3.33Å; S217-L219 PolarHBondContact O-N 3.48Å; S217-I220 PolarHBondContact O-N 3.48Å; S217-I220 VanDerWaalsContact O-N 3.15Å; S217-M221 VanDerWaalsContact O-CG 3.25Å; S217-M221 WeakPolarHBondContact O-CG 3.29Å; S217-M221 PolarHBondContact O-N 2.99Å
218T96.7Very high94.5Very high42 Ų4271.9 Ų71.926%0.25836%0.358SS..Hα-helixtrans-64.8-36.9179.752.50000112.2L206 Y214 K215 M221 Q222L206-T218 HydrophobicContact CD1-CG2 4.32Å; Y214-T218 HydrophobicContact CD1-CG2 4.21Å; Y214-T218 HydrophobicContact CE1-CG2 3.89Å; Y214-T218 HydrophobicContact CE2-CG2 4.23Å; Y214-T218 WeakPolarHBondContact O-CB 3.4Å; Y214-T218 VanDerWaalsContact O-CG2 3.28Å; Y214-T218 WeakPolarHBondContact O-CG2 3.5Å; Y214-T218 PolarHBondContact O-N 3.18Å; Y214-T218 PolarHBondContact O-OG1 3.4Å; K215-T218 PolarHBondContact O-OG1 2.84Å; T218-M221 PolarHBondContact O-N 3.37Å; T218-Q222 WeakPolarHBondContact O-CB 3.41Å; T218-Q222 PolarHBondContact O-N 2.97Å
219L97.6Very high94.9Very high101 Ų10171.6 Ų71.653%0.52936%0.356SS..Hα-helixtrans-61.3-43.3171.9178.562.4000111.8K215 D216 S217 Q222 L223K215-L219 WeakPolarHBondContact O-CB 3.42Å; K215-L219 PolarHBondContact O-N 2.94Å; K215-L219 VanDerWaalsContact O-N 3.15Å; D216-L219 PolarHBondContact O-N 3.5Å; S217-L219 VanDerWaalsContact C-N 3.33Å; S217-L219 PolarHBondContact O-N 3.48Å; L219-Q222 WeakPolarHBondContact O-CB 3.34Å; L219-Q222 PolarHBondContact O-N 3.17Å; L219-L223 WeakPolarHBondContact O-CG 3.32Å; L219-L223 PolarHBondContact O-N 2.85Å; L219-L223 VanDerWaalsContact O-N 3.13Å
220I98.2Very high95.2Very high28 Ų2874.8 Ų74.814%0.14437%0.372CS..Hα-helixtrans-69.7-39.5179-61.7163.7000111.2P168 L171 L175 D216 S217 Q222 L223 L224P168-I220 HydrophobicContact CB-CD1 4.15Å; P168-I220 VanDerWaalsContact O-CD1 3.31Å; P168-I220 WeakPolarHBondContact O-CD1 3.25Å; L171-I220 HydrophobicContact CB-CB 4.17Å; L171-I220 HydrophobicContact CB-CD1 4.47Å; L171-I220 HydrophobicContact CB-CG2 3.62Å; L175-I220 HydrophobicContact CB-CG2 4.29Å; L175-I220 HydrophobicContact CD2-CG2 4.17Å; D216-I220 WeakPolarHBondContact O-CD1 3.44Å; D216-I220 VanDerWaalsContact O-CG1 3.26Å; D216-I220 WeakPolarHBondContact O-CG1 3.36Å; D216-I220 PolarHBondContact O-N 2.98Å; S217-I220 PolarHBondContact O-N 3.48Å; S217-I220 VanDerWaalsContact O-N 3.15Å; I220-Q222 VanDerWaalsContact C-N 3.28Å; I220-Q222 PolarHBondContact O-N 3.2Å; I220-L223 WeakPolarHBondContact O-CB 3.41Å; I220-L223 PolarHBondContact O-N 3.44Å; I220-L224 PolarHBondContact O-N 2.87Å
221M98.1Very high95.5Very high8 Ų870.9 Ų70.94%0.03935%0.351CS..Hα-helixtrans-60.9-39.1174.3-69.9169.872.200111.6L171 F199 A202 I203 L206 S217 T218 L224 R225L171-M221 HydrophobicContact CD1-CG 3.9Å; L171-M221 HydrophobicContact CD1-SD 4.35Å; L171-M221 HydrophobicContact CD2-CG 4.05Å; F199-M221 HydrophobicContact CD2-CB 4.13Å; F199-M221 WeakPolarHBondContact CD2-O 3.48Å; F199-M221 HydrophobicContact CE2-CB 4.09Å; F199-M221 WeakPolarHBondContact CE2-O 3.3Å; A202-M221 HydrophobicContact CB-CE 3.82Å; A202-M221 HydrophobicContact CB-CG 4.3Å; A202-M221 HydrophobicContact CB-SD 3.92Å; I203-M221 HydrophobicContact CB-CE 4.45Å; I203-M221 HydrophobicContact CD1-CE 3.43Å; I203-M221 VanDerWaalsContact CD1-CE 3.43Å; I203-M221 HydrophobicContact CG1-CE 3.6Å; L206-M221 HydrophobicContact CD1-CE 4.27Å; L206-M221 HydrophobicContact CD1-SD 3.97Å; S217-M221 VanDerWaalsContact O-CG 3.25Å; S217-M221 WeakPolarHBondContact O-CG 3.29Å; S217-M221 PolarHBondContact O-N 2.99Å; T218-M221 PolarHBondContact O-N 3.37Å; M221-L224 PolarHBondContact O-N 3.27Å; M221-R225 PolarHBondContact O-N 3.36Å
222Q98.2Very high95.7Very high63 Ų6365 Ų6529%0.29433%0.327SS..Hα-helixtrans-59.9-46.5173.2177.555.74200111.4T218 L219 I220 L224 R225 D226T218-Q222 WeakPolarHBondContact O-CB 3.41Å; T218-Q222 PolarHBondContact O-N 2.97Å; L219-Q222 WeakPolarHBondContact O-CB 3.34Å; L219-Q222 PolarHBondContact O-N 3.17Å; I220-Q222 VanDerWaalsContact C-N 3.28Å; I220-Q222 PolarHBondContact O-N 3.2Å; Q222-L224 PolarHBondContact O-N 3.05Å; Q222-R225 WeakPolarHBondContact O-CB 3.32Å; Q222-R225 PolarHBondContact O-N 3.47Å; Q222-D226 PolarHBondContact NE2-OD1 3.44Å; Q222-D226 PolarHBondContact NE2-OD2 3.41Å; Q222-D226 PolarHBondContact O-N 2.9Å
223L98.5Very high95.6Very high74 Ų7460.9 Ų60.939%0.38731%0.31SS..Hα-helixtrans-62.8-39.7176.6-66.3171.8000112.8L175 L219 I220 R225 D226 N227L175-L223 HydrophobicContact CD1-CB 4.13Å; L175-L223 HydrophobicContact CD2-CB 3.94Å; L175-L223 HydrophobicContact CD2-CD1 3.92Å; L219-L223 WeakPolarHBondContact O-CG 3.32Å; L219-L223 PolarHBondContact O-N 2.85Å; L219-L223 VanDerWaalsContact O-N 3.13Å; I220-L223 WeakPolarHBondContact O-CB 3.41Å; I220-L223 PolarHBondContact O-N 3.44Å; L223-R225 VanDerWaalsContact C-N 3.35Å; L223-D226 PolarHBondContact O-N 3.43Å; L223-N227 PolarHBondContact O-N 2.61Å
224L98.5Very high95Very high0 Ų062.6 Ų62.60%032%0.317CS..Hα-helixtrans-59.4-45.6173.9-78.4167.9000111.4L171 L175 A195 A198 F199 I220 M221 Q222 N227 L228L171-L224 HydrophobicContact CD2-CD1 3.97Å; L175-L224 HydrophobicContact CB-CD2 3.93Å; L175-L224 HydrophobicContact CB-CG 4.24Å; L175-L224 HydrophobicContact CD1-CD2 4Å; L175-L224 HydrophobicContact CD1-CG 4.22Å; A195-L224 HydrophobicContact CB-CD2 3.87Å; A198-L224 HydrophobicContact CB-CD1 4.3Å; F199-L224 HydrophobicContact CD2-CB 4.49Å; I220-L224 PolarHBondContact O-N 2.87Å; M221-L224 PolarHBondContact O-N 3.27Å; Q222-L224 PolarHBondContact O-N 3.05Å; L224-N227 PolarHBondContact O-N 2.88Å; L224-L228 WeakPolarHBondContact O-CG 3.17Å; L224-L228 PolarHBondContact O-N 3.11Å
225R97.7Very high93.9Very high118 Ų11859.2 Ų59.245%0.44531%0.309SS..Hα-helixtrans-62.9-42.4177.7-171.5-172.974.1-167.45112.3F199 M221 Q222 L223 L228 T229F199-R225 HydrophobicContact CD2-CB 4.32Å; F199-R225 HydrophobicContact CE2-CB 3.93Å; F199-R225 HydrophobicContact CZ-CB 4.47Å; M221-R225 PolarHBondContact O-N 3.36Å; Q222-R225 WeakPolarHBondContact O-CB 3.32Å; Q222-R225 PolarHBondContact O-N 3.47Å; L223-R225 VanDerWaalsContact C-N 3.35Å; R225-L228 WeakPolarHBondContact O-CB 3.39Å; R225-L228 PolarHBondContact O-N 3.38Å; R225-T229 PolarHBondContact O-N 3.35Å; R225-T229 PolarHBondContact O-OG1 3.33Å; R225-T229 VanDerWaalsContact O-OG1 3.11Å
226D97.9Very high92.3Very high69 Ų6958.2 Ų58.237%0.36931%0.307SS..Hα-helixtrans-66-41.4-179-64.9-14.7000110.8Q222 L223 T229 L230Q222-D226 PolarHBondContact NE2-OD1 3.44Å; Q222-D226 PolarHBondContact NE2-OD2 3.41Å; Q222-D226 PolarHBondContact O-N 2.9Å; L223-D226 PolarHBondContact O-N 3.43Å; D226-T229 PolarHBondContact O-N 3.37Å; D226-L230 PolarHBondContact O-N 3.32Å
227N96.8Very high90.4Very high36 Ų3656.4 Ų56.419%0.19331%0.31CS..Hα-helixtrans-61.1-44.5172.1-78.30.5000112.4L175 L223 L224 T229 L230 W231L175-N227 VanDerWaalsContact CD1-ND2 3.31Å; L175-N227 WeakPolarHBondContact CD1-ND2 2.95Å; L223-N227 PolarHBondContact O-N 2.61Å; L224-N227 PolarHBondContact O-N 2.88Å; N227-T229 VanDerWaalsContact C-N 3.28Å; N227-T229 PolarHBondContact O-N 3.31Å; N227-L230 PolarHBondContact O-N 3.34Å; N227-W231 HydrophobicContact CB-CD2 4.2Å; N227-W231 HydrophobicContact CB-CE3 4.08Å; N227-W231 HydrophobicContact CB-CH2 3.67Å; N227-W231 HydrophobicContact CB-CZ2 3.78Å; N227-W231 HydrophobicContact CB-CZ3 3.81Å; N227-W231 WeakPolarHBondContact ND2-CH2 3.49Å; N227-W231 WeakPolarHBondContact O-CB 3.47Å; N227-W231 VanDerWaalsContact O-CD2 3.27Å; N227-W231 PolarHBondContact O-N 3.08Å
228L96.8Very high88.2Confident26 Ų2663.9 Ų63.914%0.13635%0.35CS..Hα-helixtrans-58.4-41.8176.6-77.2167.2000111.9C192 A195 K196 L224 R225 T232C192-L228 HydrophobicContact CB-CD2 4.12Å; C192-L228 WeakPolarHBondContact O-CD2 3.39Å; A195-L228 HydrophobicContact CB-CD1 4.32Å; A195-L228 HydrophobicContact CB-CD2 3.84Å; A195-L228 HydrophobicContact CB-CG 3.9Å; K196-L228 HydrophobicContact CB-CD1 4.16Å; K196-L228 HydrophobicContact CB-CD2 4.06Å; L224-L228 WeakPolarHBondContact O-CG 3.17Å; L224-L228 PolarHBondContact O-N 3.11Å; R225-L228 WeakPolarHBondContact O-CB 3.39Å; R225-L228 PolarHBondContact O-N 3.38Å; L228-T232 WeakPolarHBondContact O-CB 3.48Å; L228-T232 VanDerWaalsContact O-CG2 3.24Å; L228-T232 WeakPolarHBondContact O-CG2 3.44Å; L228-T232 PolarHBondContact O-N 2.7Å; L228-T232 PolarHBondContact O-OG1 3.38Å
229T95.9Very high85.8Confident89 Ų8969.9 Ų69.955%0.54638%0.375SS..Hα-helixtrans-65.1-45.2178.4-60.50000111.1R225 D226 N227 T232 S233R225-T229 PolarHBondContact O-N 3.35Å; R225-T229 PolarHBondContact O-OG1 3.33Å; R225-T229 VanDerWaalsContact O-OG1 3.11Å; D226-T229 PolarHBondContact O-N 3.37Å; N227-T229 VanDerWaalsContact C-N 3.28Å; N227-T229 PolarHBondContact O-N 3.31Å; T229-T232 PolarHBondContact O-OG1 3.49Å; T229-S233 PolarHBondContact O-N 3.21Å; T229-S233 PolarHBondContact O-OG 2.99Å
230L94.7Very high83.2Confident93 Ų9368.5 Ų68.549%0.48738%0.378SS..Hα-helixtrans-59.2-55.5177.2-178.765.1000111.3D226 N227 T232 S233 D234D226-L230 PolarHBondContact O-N 3.32Å; N227-L230 PolarHBondContact O-N 3.34Å; L230-T232 VanDerWaalsContact C-N 3.35Å; L230-T232 PolarHBondContact O-N 3Å; L230-S233 PolarHBondContact O-N 2.76Å; L230-S233 PolarHBondContact O-OG 3.42Å; L230-D234 PolarHBondContact O-N 3.02Å
231W95.1Very high80.4Confident7 Ų775.9 Ų75.93%0.02741%0.412CS..Hα-helixtrans-70.1-29.6-172.4-57.2-26.7000113.8V179 Y182 A191 A195 N227 T235V179-W231 HydrophobicContact CG2-CH2 4Å; V179-W231 HydrophobicContact CG2-CZ2 3.99Å; Y182-W231 AromaticContact CD1-CD1 3.99Å; Y182-W231 HydrophobicContact CD1-CZ2 4.5Å; Y182-W231 AromaticContact CD1-NE1 3.53Å; Y182-W231 HydrophobicContact CD2-CB 3.99Å; Y182-W231 AromaticContact CD2-CD1 3.43Å; Y182-W231 VanDerWaalsContact CD2-CD1 3.43Å; Y182-W231 AromaticContact CD2-CD2 3.73Å; Y182-W231 HydrophobicContact CD2-CD2 3.73Å; Y182-W231 AromaticContact CD2-CE2 3.85Å; Y182-W231 AromaticContact CD2-CG 3.45Å; Y182-W231 HydrophobicContact CD2-CG 3.45Å; Y182-W231 VanDerWaalsContact CD2-CG 3.45Å; Y182-W231 AromaticContact CD2-NE1 3.65Å; Y182-W231 AromaticContact CE1-CD1 3.74Å; Y182-W231 AromaticContact CE1-NE1 3.6Å; Y182-W231 HydrophobicContact CE2-CB 3.74Å; Y182-W231 AromaticContact CE2-CD1 3.12Å; Y182-W231 HydrophobicContact CE2-CD2 4.19Å; Y182-W231 AromaticContact CE2-CG 3.42Å; Y182-W231 HydrophobicContact CE2-CG 3.42Å; Y182-W231 VanDerWaalsContact CE2-CG 3.42Å; Y182-W231 AromaticContact CE2-NE1 3.71Å; Y182-W231 AromaticContact CG-CD1 3.86Å; Y182-W231 HydrophobicContact CG-CD2 4.04Å; Y182-W231 AromaticContact CG-CE2 3.68Å; Y182-W231 HydrophobicContact CG-CG 4.12Å; Y182-W231 HydrophobicContact CG-CZ2 4.17Å; Y182-W231 AromaticContact CG-NE1 3.56Å; Y182-W231 AromaticContact CZ-CD1 3.29Å; Y182-W231 AromaticContact CZ-NE1 3.69Å; A191-W231 HydrophobicContact CB-CE3 4.07Å; A191-W231 HydrophobicContact CB-CZ3 3.95Å; A195-W231 HydrophobicContact CB-CZ3 4.32Å; N227-W231 HydrophobicContact CB-CD2 4.2Å; N227-W231 HydrophobicContact CB-CE3 4.08Å; N227-W231 HydrophobicContact CB-CH2 3.67Å; N227-W231 HydrophobicContact CB-CZ2 3.78Å; N227-W231 HydrophobicContact CB-CZ3 3.81Å; N227-W231 WeakPolarHBondContact ND2-CH2 3.49Å; N227-W231 WeakPolarHBondContact O-CB 3.47Å; N227-W231 VanDerWaalsContact O-CD2 3.27Å; N227-W231 PolarHBondContact O-N 3.08Å; W231-T235 PolarHBondContact O-N 3.16Å; W231-T235 PolarHBondContact O-OG1 2.95Å
232T90.3Very high77.7Confident56 Ų5681.1 Ų81.134%0.34445%0.447SS..Hα-helixtrans-74.7-30174.652.80000112.6L228 T229 L230 T235 Q236L228-T232 WeakPolarHBondContact O-CB 3.48Å; L228-T232 VanDerWaalsContact O-CG2 3.24Å; L228-T232 WeakPolarHBondContact O-CG2 3.44Å; L228-T232 PolarHBondContact O-N 2.7Å; L228-T232 PolarHBondContact O-OG1 3.38Å; T229-T232 PolarHBondContact O-OG1 3.49Å; L230-T232 VanDerWaalsContact C-N 3.35Å; L230-T232 PolarHBondContact O-N 3Å; T232-T235 WeakPolarHBondContact CA-OG1 3.2Å; T232-T235 PolarHBondContact O-OG1 3.14Å; T232-Q236 WeakPolarHBondContact O-CG 3.4Å; T232-Q236 PolarHBondContact O-N 2.65Å
233S86.8Confident74.8Confident64 Ų6487.5 Ų87.545%0.44848%0.477SS..Hα-helixtrans-68.9-36.7172.668.50000112.6T229 L230 Q236 G237T229-S233 PolarHBondContact O-N 3.21Å; T229-S233 PolarHBondContact O-OG 2.99Å; L230-S233 PolarHBondContact O-N 2.76Å; L230-S233 PolarHBondContact O-OG 3.42Å; S233-Q236 PolarHBondContact O-N 3.16Å; S233-G237 PolarHBondContact O-N 2.97Å
234D77.4Confident72.1Confident67 Ų6793.4 Ų93.436%0.35850%0.502SS..Hα-helixtrans-63.5-43.5176.4-63.7-27.8000111.4Y182 L230 Q236 G237Y182-D234 PolarHBondContact OH-OD2 2.87Å; L230-D234 PolarHBondContact O-N 3.02Å; D234-Q236 VanDerWaalsContact C-N 3.34Å; D234-Q236 PolarHBondContact O-N 3.37Å; D234-G237 PolarHBondContact O-N 3.18Å
235T69.7Low69.4Low50 Ų5096.7 Ų96.731%0.30754%0.536SS..Hα-helixtrans-66.7-30.5178.443.30000113.9P188 W231 T232P188-T235 HydrophobicContact CB-CG2 4.25Å; P188-T235 HydrophobicContact CG-CG2 4.37Å; W231-T235 PolarHBondContact O-N 3.16Å; W231-T235 PolarHBondContact O-OG1 2.95Å; T232-T235 WeakPolarHBondContact CA-OG1 3.2Å; T232-T235 PolarHBondContact O-OG1 3.14Å
236Q61.1Low66.6Low142 Ų14294.9 Ų94.966%0.66455%0.554SS**Hα-helixtrans-78-25.6177.2-71.8178.316.700112.6T232 S233 D234T232-Q236 WeakPolarHBondContact O-CG 3.4Å; T232-Q236 PolarHBondContact O-N 2.65Å; S233-Q236 PolarHBondContact O-N 3.16Å; D234-Q236 VanDerWaalsContact C-N 3.34Å; D234-Q236 PolarHBondContact O-N 3.37Å
237G55.1Low64Low52 Ų5299.3 Ų99.354%0.53658%0.578SS.*Hα-helixtrans-69-31.9175.900000113.5S233 D234S233-G237 PolarHBondContact O-N 2.97Å; D234-G237 PolarHBondContact O-N 3.18Å
238D52.1Low61.8Low156 Ų156109.2 Ų109.283%0.83463%0.631SS**Hα-helixtrans-81.7-16.3178.4-77.3-19.2000113.5
239E46Very low60.1Low168 Ų168113.4 Ų113.479%0.78566%0.656SS**THydrogen-bonded Turntrans-96.33.6177.4-68.6-170.4166.100114E241E239-E241 PolarHBondContact O-N 3.3Å
240A42.5Very low58.2Low73 Ų73114.7 Ų114.760%0.60366%0.662SS**  trans-87.6107.8178.700000112.9
241E38.6Very low56.2Low183 Ų183115.9 Ų115.986%0.85567%0.671SS**  trans94.287.1162.4-60.6-170.8176.300118.8E239E239-E241 PolarHBondContact O-N 3.3Å
242P41.6Very low53.9Low118 Ų118122.3 Ų122.377%0.76671%0.709SS**  trans-67.2132.214525.8-22.3000109.6E244P242-E244 PolarHBondContact O-N 3.32Å; P242-E244 VanDerWaalsContact O-N 3.13Å
243Q38.8Very low51.6Low197 Ų197126.4 Ų126.492%0.92173%0.732SS**  trans-48.6110.7174.6-73.9171.1-16.900112.5
244E41.1Very low49.3Very low197 Ų197130.6 Ų130.692%0.92175%0.751SS**  trans-93.2103.1149.5-69.9-166.216100106.2P242P242-E244 PolarHBondContact O-N 3.32Å; P242-E244 VanDerWaalsContact O-N 3.13Å
245G40.7Very low47.3Very low70 Ų70135.1 Ų135.172%0.72278%0.779SS**  69.692.29200000108.9
246G40.4Very low45.5Very low80 Ų80141.7 Ų141.783%0.82582%0.816SS**  86.544.956.200000111.6
247D42.9Very low44.2Very low161 Ų161141.7 Ų141.786%0.86183%0.828SS**  trans-97.8107.5169.4-90.3-15.5000109.7
248N51.3Low43.3Very low245 Ų245149.8 Ų149.8100%1.3186%0.855SS**  trans-161.20151-104.5-3.5000110.4

Retrieved 248 of 248 residues in 292.1 ms (Link to these results)

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