RBP17_MOUSE Loading...

Ran-binding protein 17

May function as a nuclear transport receptor.

AlphaFold DB , UniProt , Accession Q99NF8, Species MOUSE (Mus musculus, Mouse), Gene Ranbp17, Length 1,088 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
1M31.1Very low56.2Low227 Ų22792.7 Ų92.7100%1.11851%0.505SS*.  0105.70-84169.5166.900105.7L3M1-L3 PolarHBondContact O-N 3.45Å
2A36.5Very low57.8Low97 Ų9786.9 Ų86.980%0.80247%0.472SS*.  trans-72.7106.217400000107H4A2-H4 VanDerWaalsContact C-N 3.35Å; A2-H4 PolarHBondContact O-N 3.31Å
3L41.2Very low59.3Low112 Ų11286.2 Ų86.259%0.58647%0.472SS*.  trans-64.4100170-83.9155000107.2M1 F5M1-L3 PolarHBondContact O-N 3.45Å; L3-F5 VanDerWaalsContact C-N 3.26Å; L3-F5 HydrophobicContact CB-CE2 4.31Å; L3-F5 HydrophobicContact CB-CZ 4.33Å; L3-F5 WeakPolarHBondContact O-CD2 3.49Å; L3-F5 PolarHBondContact O-N 2.99Å
4H45.4Very low60.5Low136 Ų13682.9 Ų82.963%0.6345%0.453SS*.  trans-74.387.3171.8-130.535.1000106.5A2 Q6A2-H4 VanDerWaalsContact C-N 3.35Å; A2-H4 PolarHBondContact O-N 3.31Å; H4-Q6 PolarHBondContact O-N 3.08Å
5F52Low61.3Low29 Ų2977.3 Ų77.313%0.12742%0.423CS..  trans-55.9101.9175.1-64.8-82.2000109L3 L11 L14 A33L3-F5 VanDerWaalsContact C-N 3.26Å; L3-F5 HydrophobicContact CB-CE2 4.31Å; L3-F5 HydrophobicContact CB-CZ 4.33Å; L3-F5 WeakPolarHBondContact O-CD2 3.49Å; L3-F5 PolarHBondContact O-N 2.99Å; F5-L11 HydrophobicContact CB-CD1 4.37Å; F5-L11 HydrophobicContact CD1-CG 4.32Å; F5-L14 HydrophobicContact CD1-CD1 4.43Å; F5-L14 HydrophobicContact CE1-CD1 3.68Å; F5-A33 HydrophobicContact CE1-CB 4.24Å; F5-A33 HydrophobicContact CZ-CB 3.84Å
6Q53Low62.1Low168 Ų16875.9 Ų75.979%0.78542%0.417SS*.  trans-93.9-9.1-173-90.8-175.5-12.800113.5H4H4-Q6 PolarHBondContact O-N 3.08Å
7S66.4Low63.1Low44 Ų4474.9 Ų74.931%0.30841%0.408SS..  trans-135.9137.2175.472.60000113.4A9 E10S7-A9 PolarHBondContact O-N 3.05Å; S7-E10 PolarHBondContact O-N 3.07Å; S7-E10 VanDerWaalsContact OG-CD 3.29Å; S7-E10 VanDerWaalsContact OG-CG 3.3Å; S7-E10 WeakPolarHBondContact OG-CG 3.48Å; S7-E10 PolarHBondContact OG-N 3.37Å; S7-E10 PolarHBondContact OG-OE1 3.46Å
8L68.2Low63.8Low49 Ų4973.1 Ų73.126%0.25740%0.398SS..Hα-helixtrans-53.6-35.6172.1-168.581.8000111E10 L11 E12 L49 L50 Q53L8-E10 PolarHBondContact O-N 3.3Å; L8-L11 WeakPolarHBondContact O-CB 3.42Å; L8-L11 PolarHBondContact O-N 2.88Å; L8-E12 WeakPolarHBondContact O-CG 3.35Å; L8-E12 PolarHBondContact O-N 3.08Å; L8-L49 HydrophobicContact CD1-CB 4.02Å; L8-L50 HydrophobicContact CD1-CD2 3.73Å; L8-L50 HydrophobicContact CD1-CG 4.13Å; L8-L50 HydrophobicContact CG-CD2 4.3Å; L8-Q53 HydrophobicContact CD2-CB 3.67Å
9A74.1Confident64.4Low56 Ų5673.4 Ų73.446%0.46339%0.393SS..Hα-helixtrans-61-40.3179.100000113.3S7 L11 E12 V13S7-A9 PolarHBondContact O-N 3.05Å; A9-L11 VanDerWaalsContact C-N 3.33Å; A9-L11 PolarHBondContact O-N 2.99Å; A9-E12 PolarHBondContact O-N 3.24Å; A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 2.98Å
10E77.2Confident65Low96 Ų9673.6 Ų73.645%0.44940%0.397SS..Hα-helixtrans-62.1-41.5175.3-78.5160.9-148.600111.7S7 L8 V13 L14S7-E10 PolarHBondContact O-N 3.07Å; S7-E10 VanDerWaalsContact OG-CD 3.29Å; S7-E10 VanDerWaalsContact OG-CG 3.3Å; S7-E10 WeakPolarHBondContact OG-CG 3.48Å; S7-E10 PolarHBondContact OG-N 3.37Å; S7-E10 PolarHBondContact OG-OE1 3.46Å; L8-E10 PolarHBondContact O-N 3.3Å; E10-V13 PolarHBondContact O-N 3.09Å; E10-L14 WeakPolarHBondContact O-CG 3.5Å; E10-L14 PolarHBondContact O-N 3.01Å
11L72.5Confident65.4Low6 Ų670.7 Ų70.73%0.03138%0.384CS..Hα-helixtrans-62.2-42.8175.8-91.2157.2000111.5F5 L8 A9 L14 C15 L34 L37 K46 L50F5-L11 HydrophobicContact CB-CD1 4.37Å; F5-L11 HydrophobicContact CD1-CG 4.32Å; L8-L11 WeakPolarHBondContact O-CB 3.42Å; L8-L11 PolarHBondContact O-N 2.88Å; A9-L11 VanDerWaalsContact C-N 3.33Å; A9-L11 PolarHBondContact O-N 2.99Å; L11-L14 PolarHBondContact O-N 3.48Å; L11-C15 PolarHBondContact O-N 3.43Å; L11-C15 PolarHBondContact O-SG 2.95Å; L11-L34 HydrophobicContact CD2-CD2 4.35Å; L11-L37 HydrophobicContact CD2-CD1 4.44Å; L11-L37 HydrophobicContact CD2-CD2 3.75Å; L11-K46 HydrophobicContact CD1-CD 4.41Å; L11-L50 HydrophobicContact CB-CD2 4.28Å
12E76.3Confident67.5Low23 Ų2366.9 Ų66.911%0.10737%0.374CS..Hα-helixtrans-64.6-39.2177.1-64.7-160.7130.100113L8 A9 C15 T16 L50 G54 T55 A59L8-E12 WeakPolarHBondContact O-CG 3.35Å; L8-E12 PolarHBondContact O-N 3.08Å; A9-E12 PolarHBondContact O-N 3.24Å; E12-C15 WeakPolarHBondContact O-CB 3.43Å; E12-C15 PolarHBondContact O-N 3.43Å; E12-T16 PolarHBondContact O-N 3.25Å; E12-T16 PolarHBondContact O-OG1 3.49Å; E12-L50 HydrophobicContact CG-CD2 4.48Å; E12-G54 VanDerWaalsContact OE1-CA 3.24Å; E12-G54 WeakPolarHBondContact OE1-CA 3.41Å; E12-T55 PolarHBondContact OE1-N 3.12Å; E12-T55 PolarHBondContact OE1-OG1 3.01Å; E12-T55 PolarHBondContact OE2-OG1 3.03Å; E12-A59 HydrophobicContact CG-CB 4.03Å
13V77Confident69.5Low78 Ų7865.5 Ų65.547%0.47335%0.353SS..Hα-helixtrans-60.9-48.2175.3169.70000109.7A9 E10 C15 T16 H17A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 2.98Å; E10-V13 PolarHBondContact O-N 3.09Å; V13-C15 VanDerWaalsContact C-N 3.33Å; V13-C15 PolarHBondContact O-N 2.97Å; V13-T16 WeakPolarHBondContact O-CA 3.33Å; V13-T16 WeakPolarHBondContact O-CB 3.3Å; V13-T16 PolarHBondContact O-N 3.16Å; V13-H17 VanDerWaalsContact CG1-CD2 3.45Å; V13-H17 WeakPolarHBondContact CG1-CD2 3.34Å; V13-H17 VanDerWaalsContact CG1-NE2 3.32Å; V13-H17 WeakPolarHBondContact CG1-NE2 3.24Å; V13-H17 PolarHBondContact O-CD2 3.49Å; V13-H17 PolarHBondContact O-N 2.78Å
14L76.2Confident71.3Confident39 Ų3966.1 Ų66.120%0.20436%0.357CS..Hα-helixtrans-60.6-38.9176.3-68170.9000112.8F5 E10 L11 T16 H17 L18 A30 A33F5-L14 HydrophobicContact CD1-CD1 4.43Å; F5-L14 HydrophobicContact CE1-CD1 3.68Å; E10-L14 WeakPolarHBondContact O-CG 3.5Å; E10-L14 PolarHBondContact O-N 3.01Å; L11-L14 PolarHBondContact O-N 3.48Å; L14-T16 VanDerWaalsContact C-N 3.27Å; L14-T16 PolarHBondContact O-N 3.47Å; L14-H17 PolarHBondContact O-N 2.97Å; L14-L18 WeakPolarHBondContact O-CB 3.28Å; L14-L18 PolarHBondContact O-N 3.34Å; L14-A30 HydrophobicContact CB-CB 4.45Å; L14-A30 HydrophobicContact CD2-CB 4.2Å; L14-A33 HydrophobicContact CD1-CB 3.96Å
15C72.2Confident72.8Confident0 Ų064 Ų640%035%0.354CS..Hα-helixtrans-58.3-43.8173-63.10000111.3L11 E12 V13 L18 Y19 L62L11-C15 PolarHBondContact O-N 3.43Å; L11-C15 PolarHBondContact O-SG 2.95Å; E12-C15 WeakPolarHBondContact O-CB 3.43Å; E12-C15 PolarHBondContact O-N 3.43Å; V13-C15 VanDerWaalsContact C-N 3.33Å; V13-C15 PolarHBondContact O-N 2.97Å; C15-L18 PolarHBondContact O-N 3.25Å; C15-Y19 VanDerWaalsContact O-CD2 3.29Å; C15-Y19 WeakPolarHBondContact O-CD2 3.33Å; C15-Y19 PolarHBondContact O-N 3.45Å; C15-Y19 VanDerWaalsContact O-N 3.15Å; C15-L62 WeakPolarHBondContact SG-CD2 3.45Å
16T74.3Confident74Confident54 Ų5466.4 Ų66.433%0.33137%0.365SS..Hα-helixtrans-67-43.3-178.8-50.50000110.7E12 V13 L14 L18 Y19 V20 G21E12-T16 PolarHBondContact O-N 3.25Å; E12-T16 PolarHBondContact O-OG1 3.49Å; V13-T16 WeakPolarHBondContact O-CA 3.33Å; V13-T16 WeakPolarHBondContact O-CB 3.3Å; V13-T16 PolarHBondContact O-N 3.16Å; L14-T16 VanDerWaalsContact C-N 3.27Å; L14-T16 PolarHBondContact O-N 3.47Å; T16-L18 VanDerWaalsContact C-N 3.32Å; T16-L18 PolarHBondContact O-N 3.16Å; T16-Y19 PolarHBondContact O-N 2.97Å; T16-V20 HydrophobicContact CG2-CB 4.47Å; T16-V20 HydrophobicContact CG2-CG2 4.47Å; T16-V20 WeakPolarHBondContact O-CA 3.37Å; T16-V20 WeakPolarHBondContact O-CB 3.39Å; T16-V20 PolarHBondContact O-N 3.43Å; T16-G21 PolarHBondContact O-N 2.84Å
17H78.2Confident75Confident59 Ų5963.1 Ų63.127%0.27335%0.345SS..Hα-helixtrans-60.6-39.9173.5-71.3-74.7000112.2V13 L14 G21 E26 R27 A30V13-H17 VanDerWaalsContact CG1-CD2 3.45Å; V13-H17 WeakPolarHBondContact CG1-CD2 3.34Å; V13-H17 VanDerWaalsContact CG1-NE2 3.32Å; V13-H17 WeakPolarHBondContact CG1-NE2 3.24Å; V13-H17 PolarHBondContact O-CD2 3.49Å; V13-H17 PolarHBondContact O-N 2.78Å; L14-H17 PolarHBondContact O-N 2.97Å; H17-G21 VanDerWaalsContact O-CA 3.25Å; H17-G21 WeakPolarHBondContact O-CA 3.39Å; H17-G21 PolarHBondContact O-N 3.48Å; H17-E26 IonicContact CE1-OE2 3.7Å; H17-E26 PolarHBondContact CE1-OE2 3.06Å; H17-E26 IonicContact CG-OE2 2.75Å; H17-E26 IonicContact ND1-OE2 3.3Å; H17-E26 PolarHBondContact ND1-OE2 3.47Å; H17-R27 WeakPolarHBondContact O-CG 3.34Å; H17-A30 HydrophobicContact CB-CB 4.47Å
18L76.8Confident75.4Confident42 Ų4265.5 Ų65.522%0.2235%0.354CS..Hα-helixtrans-62.5-50.1179.5-173.377.1000112.4L14 C15 T16 A30 E31 L34L14-L18 WeakPolarHBondContact O-CB 3.28Å; L14-L18 PolarHBondContact O-N 3.34Å; C15-L18 PolarHBondContact O-N 3.25Å; T16-L18 VanDerWaalsContact C-N 3.32Å; T16-L18 PolarHBondContact O-N 3.16Å; L18-A30 HydrophobicContact CB-CB 4.26Å; L18-A30 HydrophobicContact CD1-CB 4.41Å; L18-E31 HydrophobicContact CD1-CB 4.1Å; L18-L34 HydrophobicContact CB-CD1 4.44Å; L18-L34 HydrophobicContact CD1-CD1 4.41Å; L18-L34 HydrophobicContact CD2-CD1 3.64Å; L18-L34 HydrophobicContact CG-CD1 4.38Å
19Y75Confident75.8Confident79 Ų7969.7 Ų69.731%0.3137%0.372SS..Hα-helixtrans-89.4-27.4-172.5-68.1-68.4000114C15 T16 Y58 L61C15-Y19 VanDerWaalsContact O-CD2 3.29Å; C15-Y19 WeakPolarHBondContact O-CD2 3.33Å; C15-Y19 PolarHBondContact O-N 3.45Å; C15-Y19 VanDerWaalsContact O-N 3.15Å; T16-Y19 PolarHBondContact O-N 2.97Å; Y19-Y58 AromaticContact CD2-CD1 3.78Å; Y19-Y58 HydrophobicContact CD2-CD1 3.78Å; Y19-Y58 HydrophobicContact CD2-CG 4.21Å; Y19-Y58 AromaticContact CG-CD1 3.8Å; Y19-Y58 HydrophobicContact CG-CD1 3.8Å; Y19-Y58 HydrophobicContact CG-CE1 4.34Å; Y19-L61 HydrophobicContact CD1-CD2 4.48Å; Y19-L61 HydrophobicContact CE1-CD2 3.89Å; Y19-L61 HydrophobicContact CE2-CD2 4.19Å
20V76.6Confident75.8Confident78 Ų7867 Ų6747%0.47335%0.35SS..Hα-helixtrans-117.7-24.8-173.3-1710000112.8T16 Y58T16-V20 HydrophobicContact CG2-CB 4.47Å; T16-V20 HydrophobicContact CG2-CG2 4.47Å; T16-V20 WeakPolarHBondContact O-CA 3.37Å; T16-V20 WeakPolarHBondContact O-CB 3.39Å; T16-V20 PolarHBondContact O-N 3.43Å; V20-Y58 HydrophobicContact CG2-CD2 4.47Å; V20-Y58 HydrophobicContact CG2-CE2 3.91Å
21G73.5Confident75.8Confident12 Ų1267.7 Ų67.712%0.12435%0.353CS..  trans-58.4138.9-173.500000112.9T16 H17 R27T16-G21 PolarHBondContact O-N 2.84Å; H17-G21 VanDerWaalsContact O-CA 3.25Å; H17-G21 WeakPolarHBondContact O-CA 3.39Å; H17-G21 PolarHBondContact O-N 3.48Å; G21-R27 PolarHBondContact O-NE 3.16Å; G21-R27 PolarHBondContact O-NH2 3.19Å
22T75.4Confident75.9Confident148 Ų14873.7 Ų73.791%0.90838%0.379SS*.  trans-90.9-18.8177.548.80000113
23D78.8Confident75.8Confident68 Ų6873.1 Ų73.136%0.36438%0.378SS..  trans-81.8122.7179.8-168.8-25.1000110.7T25 E26 R27D23-T25 VanDerWaalsContact C-N 3.28Å; D23-T25 PolarHBondContact O-N 3.01Å; D23-T25 WeakPolarHBondContact OD1-CB 3.34Å; D23-T25 PolarHBondContact OD1-N 2.7Å; D23-T25 PolarHBondContact OD1-OG1 3.4Å; D23-E26 HydrophobicContact CB-CB 4.2Å; D23-E26 HydrophobicContact CB-CG 3.96Å; D23-R27 PolarHBondContact O-N 3.28Å
24L77.7Confident75.5Confident125 Ų12569.8 Ų69.865%0.65436%0.357SS*.Hα-helixtrans-63.8-35.3179.3-169.673.4000111.8R27 I28L24-R27 PolarHBondContact O-N 3.34Å; L24-I28 HydrophobicContact CG-CD1 4.09Å; L24-I28 VanDerWaalsContact O-CG1 3.27Å; L24-I28 WeakPolarHBondContact O-CG1 3.27Å; L24-I28 PolarHBondContact O-N 3.35Å
25T77.4Confident75.3Confident92 Ų9271.9 Ų71.956%0.56437%0.368SS*.Hα-helixtrans-67.1-46.6-178.3-7.20000111D23 R27 I28 E29D23-T25 VanDerWaalsContact C-N 3.28Å; D23-T25 PolarHBondContact O-N 3.01Å; D23-T25 WeakPolarHBondContact OD1-CB 3.34Å; D23-T25 PolarHBondContact OD1-N 2.7Å; D23-T25 PolarHBondContact OD1-OG1 3.4Å; T25-R27 VanDerWaalsContact C-N 3.34Å; T25-R27 PolarHBondContact O-N 2.91Å; T25-I28 PolarHBondContact O-N 2.87Å; T25-E29 PolarHBondContact O-N 2.88Å
26E76.3Confident75.5Confident78 Ų7875.2 Ų75.236%0.36438%0.384SS..Hα-helixtrans-62.2-40175.6-65.9-175.8168.400112.1H17 D23 I28 E29 A30H17-E26 IonicContact CE1-OE2 3.7Å; H17-E26 PolarHBondContact CE1-OE2 3.06Å; H17-E26 IonicContact CG-OE2 2.75Å; H17-E26 IonicContact ND1-OE2 3.3Å; H17-E26 PolarHBondContact ND1-OE2 3.47Å; D23-E26 HydrophobicContact CB-CB 4.2Å; D23-E26 HydrophobicContact CB-CG 3.96Å; E26-I28 PolarHBondContact O-N 3.4Å; E26-E29 PolarHBondContact O-N 3.07Å; E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 3.46Å
27R74.1Confident75.6Confident100 Ų10072.7 Ų72.738%0.37737%0.368SS..Hα-helixtrans-62.5-41.9175.8-79.3-175.1176.2-179.33.8112.5H17 G21 D23 L24 T25 A30 E31H17-R27 WeakPolarHBondContact O-CG 3.34Å; G21-R27 PolarHBondContact O-NE 3.16Å; G21-R27 PolarHBondContact O-NH2 3.19Å; D23-R27 PolarHBondContact O-N 3.28Å; L24-R27 PolarHBondContact O-N 3.34Å; T25-R27 VanDerWaalsContact C-N 3.34Å; T25-R27 PolarHBondContact O-N 2.91Å; R27-A30 PolarHBondContact O-N 2.87Å; R27-E31 WeakPolarHBondContact O-CB 3.31Å; R27-E31 PolarHBondContact O-N 3.34Å
28I75.2Confident75.2Confident94 Ų9470.5 Ų70.548%0.48236%0.358SS..Hα-helixtrans-66.4-41.9178.2-69.8166.7000110.6L24 T25 E26 E31 K32L24-I28 HydrophobicContact CG-CD1 4.09Å; L24-I28 VanDerWaalsContact O-CG1 3.27Å; L24-I28 WeakPolarHBondContact O-CG1 3.27Å; L24-I28 PolarHBondContact O-N 3.35Å; T25-I28 PolarHBondContact O-N 2.87Å; E26-I28 PolarHBondContact O-N 3.4Å; I28-E31 PolarHBondContact O-N 2.99Å; I28-K32 WeakPolarHBondContact O-CB 3.37Å; I28-K32 PolarHBondContact O-N 3.36Å
29E76.5Confident75.1Confident137 Ų13774.2 Ų74.264%0.6438%0.378SS*.Hα-helixtrans-64.9-43.3176.2-73.5-169.5164.900111.8T25 E26 K32 A33T25-E29 PolarHBondContact O-N 2.88Å; E26-E29 PolarHBondContact O-N 3.07Å; E29-K32 PolarHBondContact O-N 3.46Å; E29-A33 WeakPolarHBondContact O-CB 3.31Å; E29-A33 PolarHBondContact O-N 3.18Å
30A75Confident75.1Confident0 Ų071.7 Ų71.70%037%0.373CS..Hα-helixtrans-59.7-47.5172.900000111.3L14 H17 L18 E26 R27 K32 A33 L34L14-A30 HydrophobicContact CB-CB 4.45Å; L14-A30 HydrophobicContact CD2-CB 4.2Å; H17-A30 HydrophobicContact CB-CB 4.47Å; L18-A30 HydrophobicContact CB-CB 4.26Å; L18-A30 HydrophobicContact CD1-CB 4.41Å; E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 3.46Å; R27-A30 PolarHBondContact O-N 2.87Å; A30-K32 VanDerWaalsContact C-N 3.32Å; A30-K32 PolarHBondContact O-N 3.32Å; A30-A33 PolarHBondContact O-N 3.07Å; A30-L34 WeakPolarHBondContact O-CB 3.24Å; A30-L34 WeakPolarHBondContact O-CD1 3.44Å; A30-L34 WeakPolarHBondContact O-CG 3.24Å; A30-L34 PolarHBondContact O-N 3.27Å
31E76.5Confident75Confident109 Ų10974.4 Ų74.451%0.50939%0.392SS..Hα-helixtrans-59.4-42.3178-172.4175.6-168.400112.2L18 R27 I28 L34 L35L18-E31 HydrophobicContact CD1-CB 4.1Å; R27-E31 WeakPolarHBondContact O-CB 3.31Å; R27-E31 PolarHBondContact O-N 3.34Å; I28-E31 PolarHBondContact O-N 2.99Å; E31-L34 PolarHBondContact O-N 2.94Å; E31-L35 HydrophobicContact CG-CD1 4.49Å; E31-L35 WeakPolarHBondContact O-CG 3.37Å; E31-L35 PolarHBondContact O-N 3.19Å
32K75.9Confident75.2Confident133 Ų13377.9 Ų77.958%0.57841%0.405SS*.Hα-helixtrans-64.9-47177.2-172.1-177.8176.6-173.20112.1I28 E29 A30 L34 L35 E36I28-K32 WeakPolarHBondContact O-CB 3.37Å; I28-K32 PolarHBondContact O-N 3.36Å; E29-K32 PolarHBondContact O-N 3.46Å; A30-K32 VanDerWaalsContact C-N 3.32Å; A30-K32 PolarHBondContact O-N 3.32Å; K32-L34 PolarHBondContact O-N 3.04Å; K32-L35 PolarHBondContact O-N 2.85Å; K32-E36 PolarHBondContact O-N 3.39Å
33A73.9Confident75.5Confident10 Ų1070.9 Ų70.98%0.08336%0.362CS..Hα-helixtrans-57.7-37.4175.800000111.8F5 L14 E29 A30 E36 L37F5-A33 HydrophobicContact CE1-CB 4.24Å; F5-A33 HydrophobicContact CZ-CB 3.84Å; L14-A33 HydrophobicContact CD1-CB 3.96Å; E29-A33 WeakPolarHBondContact O-CB 3.31Å; E29-A33 PolarHBondContact O-N 3.18Å; A30-A33 PolarHBondContact O-N 3.07Å; A33-E36 PolarHBondContact O-N 3.39Å; A33-L37 PolarHBondContact O-N 3.26Å
34L70.4Confident75.6Confident9 Ų970 Ų705%0.04736%0.357CS..Hα-helixtrans-75.8-32.5178.9-66.8172.6000113.5L11 L18 A30 E31 K32 E36 L37 I38 L62L11-L34 HydrophobicContact CD2-CD2 4.35Å; L18-L34 HydrophobicContact CB-CD1 4.44Å; L18-L34 HydrophobicContact CD1-CD1 4.41Å; L18-L34 HydrophobicContact CD2-CD1 3.64Å; L18-L34 HydrophobicContact CG-CD1 4.38Å; A30-L34 WeakPolarHBondContact O-CB 3.24Å; A30-L34 WeakPolarHBondContact O-CD1 3.44Å; A30-L34 WeakPolarHBondContact O-CG 3.24Å; A30-L34 PolarHBondContact O-N 3.27Å; E31-L34 PolarHBondContact O-N 2.94Å; K32-L34 PolarHBondContact O-N 3.04Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-L37 HydrophobicContact CD2-CD2 4.29Å; L34-L37 WeakPolarHBondContact O-CB 3.44Å; L34-L37 PolarHBondContact O-N 2.92Å; L34-I38 WeakPolarHBondContact O-CD1 3.34Å; L34-I38 VanDerWaalsContact O-CG1 3.3Å; L34-I38 WeakPolarHBondContact O-CG1 3.2Å; L34-I38 PolarHBondContact O-N 3.09Å; L34-I38 VanDerWaalsContact O-N 3.11Å; L34-L62 HydrophobicContact CB-CD1 4.49Å; L34-L62 HydrophobicContact CD1-CD1 3.58Å; L34-L62 HydrophobicContact CD1-CD2 4.48Å; L34-L62 HydrophobicContact CD2-CD1 3.67Å; L34-L62 HydrophobicContact CD2-CD2 3.26Å; L34-L62 HydrophobicContact CD2-CG 4.05Å; L34-L62 HydrophobicContact CG-CD1 4.09Å; L34-L62 HydrophobicContact CG-CD2 4.45Å
35L72.6Confident75.9Confident82 Ų8266.6 Ų66.643%0.42934%0.344SS..Hα-helixtrans-62.3-42.7168.5-75.7165.4000111.1E31 K32 L37 I38 D39E31-L35 HydrophobicContact CG-CD1 4.49Å; E31-L35 WeakPolarHBondContact O-CG 3.37Å; E31-L35 PolarHBondContact O-N 3.19Å; K32-L35 PolarHBondContact O-N 2.85Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 2.81Å; L35-I38 PolarHBondContact O-N 2.77Å; L35-D39 PolarHBondContact O-N 2.69Å
36E76Confident76Confident70 Ų7063.6 Ų63.633%0.32732%0.323SS..Hα-helixtrans-63.1-38174.7-69.2-177.8-17200112.2K32 A33 L34 I38 D39 S40K32-E36 PolarHBondContact O-N 3.39Å; A33-E36 PolarHBondContact O-N 3.39Å; L34-E36 VanDerWaalsContact C-N 3.34Å; E36-I38 VanDerWaalsContact C-N 3.35Å; E36-I38 PolarHBondContact O-N 2.83Å; E36-D39 PolarHBondContact O-N 3.34Å; E36-S40 PolarHBondContact O-N 2.93Å; E36-S40 VanDerWaalsContact O-N 3.09Å
37L75.3Confident76.4Confident1 Ų160 Ų601%0.00531%0.306CS..Hα-helixtrans-59.6-45.1174.4178.770000111.7L11 A33 L34 L35 D39 S40 C43 K46 L62L11-L37 HydrophobicContact CD2-CD1 4.44Å; L11-L37 HydrophobicContact CD2-CD2 3.75Å; A33-L37 PolarHBondContact O-N 3.26Å; L34-L37 HydrophobicContact CD2-CD2 4.29Å; L34-L37 WeakPolarHBondContact O-CB 3.44Å; L34-L37 PolarHBondContact O-N 2.92Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 2.81Å; L37-D39 VanDerWaalsContact C-N 3.27Å; L37-D39 PolarHBondContact O-N 2.8Å; L37-S40 WeakPolarHBondContact O-CB 3.44Å; L37-S40 PolarHBondContact O-N 3.28Å; L37-S40 VanDerWaalsContact O-N 3.08Å; L37-S40 PolarHBondContact O-OG 2.61Å; L37-C43 VanDerWaalsContact O-CB 3.32Å; L37-C43 WeakPolarHBondContact O-CB 3.22Å; L37-K46 HydrophobicContact CD1-CB 4.19Å; L37-K46 HydrophobicContact CD1-CD 3.47Å; L37-K46 VanDerWaalsContact CD1-CD 3.47Å; L37-K46 HydrophobicContact CD1-CG 4.44Å; L37-L62 HydrophobicContact CD2-CD2 4.43Å
38I71.6Confident76.9Confident13 Ų1358.3 Ų58.37%0.06730%0.303CS..Hα-helixtrans-58.4-44-179.8-69.8155.9000109.8L34 L35 E36 S40 C66 K69 R73L34-I38 WeakPolarHBondContact O-CD1 3.34Å; L34-I38 VanDerWaalsContact O-CG1 3.3Å; L34-I38 WeakPolarHBondContact O-CG1 3.2Å; L34-I38 PolarHBondContact O-N 3.09Å; L34-I38 VanDerWaalsContact O-N 3.11Å; L35-I38 PolarHBondContact O-N 2.77Å; E36-I38 VanDerWaalsContact C-N 3.35Å; E36-I38 PolarHBondContact O-N 2.83Å; I38-S40 VanDerWaalsContact C-N 3.27Å; I38-S40 PolarHBondContact O-N 3.42Å; I38-C66 HydrophobicContact CG1-CB 4.32Å; I38-K69 HydrophobicContact CD1-CD 3.42Å; I38-K69 VanDerWaalsContact CD1-CD 3.42Å; I38-K69 HydrophobicContact CG1-CD 4.43Å; I38-K69 HydrophobicContact CG2-CB 4.39Å; I38-R73 VanDerWaalsContact CG2-NH2 3.33Å; I38-R73 PolarHBondContact O-NH1 2.92Å; I38-R73 PolarHBondContact O-NH2 3.04Å
39D72.9Confident77.2Confident120 Ų12057.2 Ų57.264%0.64230%0.297SS*.Hα-helixtrans-75.9-9.9179.2-67-25.4000114.4L35 E36 L37 R73L35-D39 PolarHBondContact O-N 2.69Å; E36-D39 PolarHBondContact O-N 3.34Å; L37-D39 VanDerWaalsContact C-N 3.27Å; L37-D39 PolarHBondContact O-N 2.8Å; D39-R73 VanDerWaalsContact CA-NH2 3.31Å; D39-R73 IonicContact OD1-CZ 3.86Å; D39-R73 IonicContact OD1-NH2 2.76Å; D39-R73 PolarHBondContact OD1-NH2 3.14Å
40S76.7Confident77.6Confident27 Ų2750.7 Ų50.719%0.18927%0.267CS..SBendtrans-72.5142.3177.692.40000112.2E36 L37 I38 E42 C43E36-S40 PolarHBondContact O-N 2.93Å; E36-S40 VanDerWaalsContact O-N 3.09Å; L37-S40 WeakPolarHBondContact O-CB 3.44Å; L37-S40 PolarHBondContact O-N 3.28Å; L37-S40 VanDerWaalsContact O-N 3.08Å; L37-S40 PolarHBondContact O-OG 2.61Å; I38-S40 VanDerWaalsContact C-N 3.27Å; I38-S40 PolarHBondContact O-N 3.42Å; S40-E42 PolarHBondContact O-N 2.81Å; S40-E42 PolarHBondContact OG-N 3.05Å; S40-C43 VanDerWaalsContact O-CB 3.24Å; S40-C43 WeakPolarHBondContact O-CB 3.28Å; S40-C43 PolarHBondContact O-N 2.8Å; S40-C43 VanDerWaalsContact O-N 3.16Å; S40-C43 PolarHBondContact OG-N 2.95Å
41P73.6Confident78Confident135 Ų13550.8 Ų50.888%0.87727%0.267SS*.THydrogen-bonded Turntrans-65.7-20174.626.6-33.5000112.8C43P41-C43 VanDerWaalsContact C-N 3.31Å
42E77.9Confident78.4Confident84 Ų8451 Ų5139%0.39327%0.268SS..THydrogen-bonded Turntrans-88.45.6177.7-61.2174.8176.300113S40 L44 S45 K46S40-E42 PolarHBondContact O-N 2.81Å; S40-E42 PolarHBondContact OG-N 3.05Å; E42-L44 VanDerWaalsContact C-N 3.28Å; E42-L44 PolarHBondContact O-N 3.32Å; E42-S45 PolarHBondContact O-N 3.33Å; E42-S45 PolarHBondContact O-OG 2.96Å; E42-K46 HydrophobicContact CB-CD 4.3Å; E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 WeakPolarHBondContact O-CG 3.13Å; E42-K46 PolarHBondContact O-N 3.47Å; E42-K46 WeakPolarHBondContact OE2-CE 3.36Å; E42-K46 IonicContact OE2-NZ 2.81Å; E42-K46 PolarHBondContact OE2-NZ 3.44Å
43C81.8Confident78.7Confident1 Ų150.1 Ų50.11%0.00727%0.266CS..Hα-helixtrans-55.8-43.8-175.4-177.10000112L37 S40 P41 K46 C47 L70L37-C43 VanDerWaalsContact O-CB 3.32Å; L37-C43 WeakPolarHBondContact O-CB 3.22Å; S40-C43 VanDerWaalsContact O-CB 3.24Å; S40-C43 WeakPolarHBondContact O-CB 3.28Å; S40-C43 PolarHBondContact O-N 2.8Å; S40-C43 VanDerWaalsContact O-N 3.16Å; S40-C43 PolarHBondContact OG-N 2.95Å; P41-C43 VanDerWaalsContact C-N 3.31Å; C43-K46 PolarHBondContact O-N 3.3Å; C43-C47 WeakPolarHBondContact O-CB 3.34Å; C43-C47 PolarHBondContact O-N 2.89Å; C43-C47 PolarHBondContact O-SG 3.33Å; C43-L70 HydrophobicContact CB-CD1 3.77Å
44L80.9Confident78.9Confident49 Ų4950.4 Ų50.426%0.25727%0.27SS..Hα-helixtrans-62.3-49.8-179.4-168.895.8000112.3E42 K46 C47 Q48 L67 I85E42-L44 VanDerWaalsContact C-N 3.28Å; E42-L44 PolarHBondContact O-N 3.32Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 2.95Å; L44-C47 PolarHBondContact O-N 3.14Å; L44-Q48 PolarHBondContact O-N 2.66Å; L44-L67 HydrophobicContact CD1-CD2 4.28Å; L44-I85 HydrophobicContact CD1-CD1 3.46Å; L44-I85 VanDerWaalsContact CD1-CD1 3.46Å; L44-I85 HydrophobicContact CD1-CG1 3.5Å
45S82.9Confident79.3Confident55 Ų5555.4 Ų55.439%0.38530%0.301SS..Hα-helixtrans-65.9-37.5-179.353.80000111.3E42 Q48 L49E42-S45 PolarHBondContact O-N 3.33Å; E42-S45 PolarHBondContact O-OG 2.96Å; S45-Q48 PolarHBondContact O-N 3.43Å; S45-L49 WeakPolarHBondContact O-CG 3.36Å; S45-L49 PolarHBondContact O-N 2.72Å
46K81.3Confident79.8Confident29 Ų2953.4 Ų53.413%0.12629%0.292CS..Hα-helixtrans-66.6-38.9173.6-72.3178-178.6168.10112.3L11 L37 E42 C43 L44 L49 L50L11-K46 HydrophobicContact CD1-CD 4.41Å; L37-K46 HydrophobicContact CD1-CB 4.19Å; L37-K46 HydrophobicContact CD1-CD 3.47Å; L37-K46 VanDerWaalsContact CD1-CD 3.47Å; L37-K46 HydrophobicContact CD1-CG 4.44Å; E42-K46 HydrophobicContact CB-CD 4.3Å; E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 WeakPolarHBondContact O-CG 3.13Å; E42-K46 PolarHBondContact O-N 3.47Å; E42-K46 WeakPolarHBondContact OE2-CE 3.36Å; E42-K46 IonicContact OE2-NZ 2.81Å; E42-K46 PolarHBondContact OE2-NZ 3.44Å; C43-K46 PolarHBondContact O-N 3.3Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 2.95Å; K46-L49 PolarHBondContact O-N 3.14Å; K46-L50 WeakPolarHBondContact O-CB 3.46Å; K46-L50 VanDerWaalsContact O-CG 3.29Å; K46-L50 WeakPolarHBondContact O-CG 3.49Å; K46-L50 PolarHBondContact O-N 3.07Å
47C84.3Confident80.2Confident1 Ų152.2 Ų52.21%0.00729%0.292CS..Hα-helixtrans-63.4-41.8174.5-69.70000111.7C43 L44 L50 L51 A63 C66 L67C43-C47 WeakPolarHBondContact O-CB 3.34Å; C43-C47 PolarHBondContact O-N 2.89Å; C43-C47 PolarHBondContact O-SG 3.33Å; L44-C47 PolarHBondContact O-N 3.14Å; C47-L50 PolarHBondContact O-N 3.03Å; C47-L51 WeakPolarHBondContact O-CG 3.25Å; C47-L51 PolarHBondContact O-N 3.34Å; C47-A63 HydrophobicContact CB-CB 4.2Å; C47-C66 VanDerWaalsContact SG-CB 3.55Å; C47-L67 HydrophobicContact CB-CD1 4.28Å; C47-L67 HydrophobicContact CB-CD2 4Å; C47-L67 HydrophobicContact CB-CG 3.94Å
48Q83.7Confident80.6Confident66 Ų6656.6 Ų56.631%0.30831%0.309SS..Hα-helixtrans-62.2-45.6174.7-72.9176.5-24.600111.5L44 S45 L50 L51 E52 Y88L44-Q48 PolarHBondContact O-N 2.66Å; S45-Q48 PolarHBondContact O-N 3.43Å; Q48-L50 PolarHBondContact O-N 3.28Å; Q48-L51 PolarHBondContact O-N 3.06Å; Q48-L51 VanDerWaalsContact O-N 3.16Å; Q48-E52 PolarHBondContact O-N 3.08Å; Q48-Y88 HydrophobicContact CG-CE1 4.11Å; Q48-Y88 HydrophobicContact CG-CE2 4.22Å; Q48-Y88 PolarHBondContact O-OH 3.09Å
49L82.7Confident81.1Confident71 Ų7156 Ų5637%0.37231%0.305SS..Hα-helixtrans-60.5-41.8175.5-76166.4000112.5L8 S45 K46 L51 E52 Q53L8-L49 HydrophobicContact CD1-CB 4.02Å; S45-L49 WeakPolarHBondContact O-CG 3.36Å; S45-L49 PolarHBondContact O-N 2.72Å; K46-L49 PolarHBondContact O-N 3.14Å; L49-L51 VanDerWaalsContact C-N 3.3Å; L49-L51 PolarHBondContact O-N 3.45Å; L49-E52 PolarHBondContact O-N 3.33Å; L49-Q53 WeakPolarHBondContact O-CA 3.44Å; L49-Q53 WeakPolarHBondContact O-CB 3.23Å; L49-Q53 PolarHBondContact O-N 2.85Å
50L83.4Confident81.8Confident0 Ų051 Ų510%028%0.279CS..Hα-helixtrans-65.9-31.2176.5-73.5169.7000112.6L8 L11 E12 K46 C47 Q48 G54 A59 L62 A63L8-L50 HydrophobicContact CD1-CD2 3.73Å; L8-L50 HydrophobicContact CD1-CG 4.13Å; L8-L50 HydrophobicContact CG-CD2 4.3Å; L11-L50 HydrophobicContact CB-CD2 4.28Å; E12-L50 HydrophobicContact CG-CD2 4.48Å; K46-L50 WeakPolarHBondContact O-CB 3.46Å; K46-L50 VanDerWaalsContact O-CG 3.29Å; K46-L50 WeakPolarHBondContact O-CG 3.49Å; K46-L50 PolarHBondContact O-N 3.07Å; C47-L50 PolarHBondContact O-N 3.03Å; Q48-L50 PolarHBondContact O-N 3.28Å; L50-G54 WeakPolarHBondContact O-CA 3.3Å; L50-G54 PolarHBondContact O-N 3.4Å; L50-G54 VanDerWaalsContact O-N 3.14Å; L50-A59 HydrophobicContact CD2-CB 4.16Å; L50-L62 HydrophobicContact CD1-CD2 4.32Å; L50-A63 HydrophobicContact CB-CB 3.95Å; L50-A63 HydrophobicContact CD1-CB 4.44Å
51L84.4Confident82.2Confident2 Ų251.2 Ų51.21%0.0128%0.277CS..Hα-helixtrans-76.2-41.1175.4-69.9169.5000111.6C47 Q48 L49 Q60 A63 L67 Y88 Y92 L107C47-L51 WeakPolarHBondContact O-CG 3.25Å; C47-L51 PolarHBondContact O-N 3.34Å; Q48-L51 PolarHBondContact O-N 3.06Å; Q48-L51 VanDerWaalsContact O-N 3.16Å; L49-L51 VanDerWaalsContact C-N 3.3Å; L49-L51 PolarHBondContact O-N 3.45Å; L51-Q60 HydrophobicContact CD2-CB 4.04Å; L51-Q60 HydrophobicContact CD2-CG 4.38Å; L51-A63 HydrophobicContact CD1-CB 4.33Å; L51-A63 HydrophobicContact CD2-CB 4.01Å; L51-A63 HydrophobicContact CG-CB 3.8Å; L51-L67 HydrophobicContact CD1-CD1 4.1Å; L51-Y88 HydrophobicContact CB-CE1 4.45Å; L51-Y88 HydrophobicContact CD1-CE1 3.8Å; L51-Y92 HydrophobicContact CB-CE1 4.38Å; L51-Y92 HydrophobicContact CB-CE2 4Å; L51-Y92 HydrophobicContact CD2-CE1 4.02Å; L51-Y92 VanDerWaalsContact O-CE2 3.31Å; L51-Y92 WeakPolarHBondContact O-CE2 3.47Å; L51-Y92 VanDerWaalsContact O-CZ 3.29Å; L51-Y92 PolarHBondContact O-OH 3.23Å; L51-L107 HydrophobicContact CD1-CD2 4.23Å; L51-L107 HydrophobicContact CD2-CD1 4.29Å; L51-L107 HydrophobicContact CD2-CD2 4.1Å
52E83.7Confident82.6Confident113 Ų11345 Ų4553%0.52824%0.237SC..Hα-helixtrans-78.5-42.2-178.1-79.8164.8-151.800114.1Q48 L49 Y88Q48-E52 PolarHBondContact O-N 3.08Å; L49-E52 PolarHBondContact O-N 3.33Å; E52-Y88 WeakPolarHBondContact CG-OH 3.21Å; E52-Y88 VanDerWaalsContact OE1-CE2 3.31Å; E52-Y88 WeakPolarHBondContact OE1-CE2 3.44Å; E52-Y88 PolarHBondContact OE1-OH 3.45Å
53Q82.6Confident83Confident115 Ų11541 Ų4154%0.53722%0.218SC..Hα-helixtrans-111.4-3.1-171.2-59.4-178.54.400113.1L8 L49 T55L8-Q53 HydrophobicContact CD2-CB 3.67Å; L49-Q53 WeakPolarHBondContact O-CA 3.44Å; L49-Q53 WeakPolarHBondContact O-CB 3.23Å; L49-Q53 PolarHBondContact O-N 2.85Å; Q53-T55 PolarHBondContact O-N 3.26Å
54G78.3Confident83.3Confident15 Ų1541 Ų4116%0.15522%0.218CC..  trans-61.3126.717900000111.8E12 L50E12-G54 VanDerWaalsContact OE1-CA 3.24Å; E12-G54 WeakPolarHBondContact OE1-CA 3.41Å; L50-G54 WeakPolarHBondContact O-CA 3.3Å; L50-G54 PolarHBondContact O-N 3.4Å; L50-G54 VanDerWaalsContact O-N 3.14Å
55T78Confident83.4Confident115 Ų11541 Ų4171%0.70622%0.22SC*.SBendtrans-84.8-19.4177.367.40000112.3E12 Q53E12-T55 PolarHBondContact OE1-N 3.12Å; E12-T55 PolarHBondContact OE1-OG1 3.01Å; E12-T55 PolarHBondContact OE2-OG1 3.03Å; Q53-T55 PolarHBondContact O-N 3.26Å
56T83.8Confident83.5Confident39 Ų3938.4 Ų38.424%0.23920%0.202CC..SBendtrans-117.1142.4-177.970.10000112.6Y58 A59 Q60T56-Y58 PolarHBondContact O-N 2.93Å; T56-A59 WeakPolarHBondContact O-CB 3.33Å; T56-A59 PolarHBondContact O-N 2.92Å; T56-A59 VanDerWaalsContact O-N 3.15Å; T56-A59 WeakPolarHBondContact OG1-CB 3.43Å; T56-A59 PolarHBondContact OG1-N 3.3Å; T56-Q60 PolarHBondContact O-N 3.37Å
57S84.3Confident83.7Confident45 Ų4537.3 Ų37.332%0.31520%0.198SC..Hα-helixtrans-63.6-23.2173.7-55.20000112.9Q60 L61 V103S57-Q60 PolarHBondContact O-N 3.48Å; S57-L61 WeakPolarHBondContact O-CB 3.29Å; S57-L61 PolarHBondContact O-N 3.37Å; S57-V103 VanDerWaalsContact O-CG2 3.29Å; S57-V103 WeakPolarHBondContact O-CG2 3.17Å
58Y83.2Confident83.8Confident93 Ų9337.9 Ų37.937%0.36520%0.202SC..Hα-helixtrans-71-36.1174.4-64.3-64.9000112.7Y19 V20 T56 Q60 L61 L62Y19-Y58 AromaticContact CD2-CD1 3.78Å; Y19-Y58 HydrophobicContact CD2-CD1 3.78Å; Y19-Y58 HydrophobicContact CD2-CG 4.21Å; Y19-Y58 AromaticContact CG-CD1 3.8Å; Y19-Y58 HydrophobicContact CG-CD1 3.8Å; Y19-Y58 HydrophobicContact CG-CE1 4.34Å; V20-Y58 HydrophobicContact CG2-CD2 4.47Å; V20-Y58 HydrophobicContact CG2-CE2 3.91Å; T56-Y58 PolarHBondContact O-N 2.93Å; Y58-Q60 VanDerWaalsContact C-N 3.33Å; Y58-L61 PolarHBondContact O-N 3.37Å; Y58-L62 PolarHBondContact O-N 3.24Å
59A83.4Confident83.8Confident0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-63.4-40.6172.800000111.7E12 L50 T56 L62 A63E12-A59 HydrophobicContact CG-CB 4.03Å; L50-A59 HydrophobicContact CD2-CB 4.16Å; T56-A59 WeakPolarHBondContact O-CB 3.33Å; T56-A59 PolarHBondContact O-N 2.92Å; T56-A59 VanDerWaalsContact O-N 3.15Å; T56-A59 WeakPolarHBondContact OG1-CB 3.43Å; T56-A59 PolarHBondContact OG1-N 3.3Å; A59-L62 PolarHBondContact O-N 3.45Å; A59-A63 PolarHBondContact O-N 3.37Å
60Q86.8Confident83.7Confident17 Ų1736 Ų368%0.07919%0.19CC..Hα-helixtrans-66.9-40.4174.9-60.7169.7-23.500112L51 T56 S57 Y58 L62 A63 A64 Y92 V103L51-Q60 HydrophobicContact CD2-CB 4.04Å; L51-Q60 HydrophobicContact CD2-CG 4.38Å; T56-Q60 PolarHBondContact O-N 3.37Å; S57-Q60 PolarHBondContact O-N 3.48Å; Y58-Q60 VanDerWaalsContact C-N 3.33Å; Q60-L62 VanDerWaalsContact C-N 3.34Å; Q60-A63 PolarHBondContact O-N 3.2Å; Q60-A64 PolarHBondContact O-N 2.76Å; Q60-Y92 PolarHBondContact NE2-OH 3.08Å; Q60-V103 HydrophobicContact CB-CG1 3.6Å; Q60-V103 HydrophobicContact CB-CG2 4.18Å
61L84.6Confident83.6Confident30 Ų3036.1 Ų36.116%0.15719%0.191CC..Hα-helixtrans-63-40174.3179.462.5000111.9Y19 S57 Y58 A64 T65 F102 V103 A106Y19-L61 HydrophobicContact CD1-CD2 4.48Å; Y19-L61 HydrophobicContact CE1-CD2 3.89Å; Y19-L61 HydrophobicContact CE2-CD2 4.19Å; S57-L61 WeakPolarHBondContact O-CB 3.29Å; S57-L61 PolarHBondContact O-N 3.37Å; Y58-L61 PolarHBondContact O-N 3.37Å; L61-A64 PolarHBondContact O-N 2.91Å; L61-T65 WeakPolarHBondContact O-CB 3.34Å; L61-T65 PolarHBondContact O-N 3.48Å; L61-T65 PolarHBondContact O-OG1 2.92Å; L61-F102 HydrophobicContact CB-CD2 4.42Å; L61-F102 HydrophobicContact CB-CE2 4.17Å; L61-F102 HydrophobicContact CD1-CD2 4.3Å; L61-F102 HydrophobicContact CD2-CD2 4Å; L61-F102 HydrophobicContact CD2-CE2 4.07Å; L61-F102 HydrophobicContact CG-CD2 4.47Å; L61-V103 HydrophobicContact CB-CG2 4.49Å; L61-A106 HydrophobicContact CD1-CB 3.54Å
62L83Confident83.3Confident5 Ų538.4 Ų38.43%0.02621%0.205CC..Hα-helixtrans-61.1-49.1173.3178.575.1000110.5C15 L34 L37 L50 Y58 A59 Q60 A64 T65 C66C15-L62 WeakPolarHBondContact SG-CD2 3.45Å; L34-L62 HydrophobicContact CB-CD1 4.49Å; L34-L62 HydrophobicContact CD1-CD1 3.58Å; L34-L62 HydrophobicContact CD1-CD2 4.48Å; L34-L62 HydrophobicContact CD2-CD1 3.67Å; L34-L62 HydrophobicContact CD2-CD2 3.26Å; L34-L62 HydrophobicContact CD2-CG 4.05Å; L34-L62 HydrophobicContact CG-CD1 4.09Å; L34-L62 HydrophobicContact CG-CD2 4.45Å; L37-L62 HydrophobicContact CD2-CD2 4.43Å; L50-L62 HydrophobicContact CD1-CD2 4.32Å; Y58-L62 PolarHBondContact O-N 3.24Å; A59-L62 PolarHBondContact O-N 3.45Å; Q60-L62 VanDerWaalsContact C-N 3.34Å; L62-A64 VanDerWaalsContact C-N 3.28Å; L62-A64 PolarHBondContact O-N 3.42Å; L62-T65 CarbonylContact O-C 3.59Å; L62-T65 WeakPolarHBondContact O-CA 3.45Å; L62-T65 WeakPolarHBondContact O-CB 3.42Å; L62-T65 PolarHBondContact O-N 2.95Å; L62-C66 PolarHBondContact O-N 3.19Å; L62-C66 PolarHBondContact O-SG 2.91Å
63A86Confident82.8Confident0 Ų036.6 Ų36.60%019%0.193CC..Hα-helixtrans-56.1-44.6178.400000111.3C47 L50 L51 A59 Q60 T65 C66 L67C47-A63 HydrophobicContact CB-CB 4.2Å; L50-A63 HydrophobicContact CB-CB 3.95Å; L50-A63 HydrophobicContact CD1-CB 4.44Å; L51-A63 HydrophobicContact CD1-CB 4.33Å; L51-A63 HydrophobicContact CD2-CB 4.01Å; L51-A63 HydrophobicContact CG-CB 3.8Å; A59-A63 PolarHBondContact O-N 3.37Å; Q60-A63 PolarHBondContact O-N 3.2Å; A63-T65 VanDerWaalsContact C-N 3.34Å; A63-T65 PolarHBondContact O-N 3.17Å; A63-C66 PolarHBondContact O-N 3.36Å; A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 VanDerWaalsContact O-CG 3.24Å; A63-L67 WeakPolarHBondContact O-CG 3.47Å; A63-L67 PolarHBondContact O-N 2.84Å
64A87.2Confident81.9Confident1 Ų139.1 Ų39.11%0.00821%0.208CC..Hα-helixtrans-59.5-42.5173.500000112.4Q60 L61 L62 L67 S68 A106 L107 V110Q60-A64 PolarHBondContact O-N 2.76Å; L61-A64 PolarHBondContact O-N 2.91Å; L62-A64 VanDerWaalsContact C-N 3.28Å; L62-A64 PolarHBondContact O-N 3.42Å; A64-L67 PolarHBondContact O-N 2.92Å; A64-S68 WeakPolarHBondContact O-CB 3.33Å; A64-S68 PolarHBondContact O-N 3.2Å; A64-A106 HydrophobicContact CB-CB 3.72Å; A64-L107 HydrophobicContact CB-CD2 3.69Å; A64-L107 HydrophobicContact CB-CG 4.04Å; A64-V110 VanDerWaalsContact O-CG2 3.24Å; A64-V110 WeakPolarHBondContact O-CG2 3.4Å
65T84.4Confident81.4Confident48 Ų4845.1 Ų45.129%0.29424%0.237SC..Hα-helixtrans-65.5-44.4178.5-56.80000111.9L61 L62 A63 S68 K69L61-T65 WeakPolarHBondContact O-CB 3.34Å; L61-T65 PolarHBondContact O-N 3.48Å; L61-T65 PolarHBondContact O-OG1 2.92Å; L62-T65 CarbonylContact O-C 3.59Å; L62-T65 WeakPolarHBondContact O-CA 3.45Å; L62-T65 WeakPolarHBondContact O-CB 3.42Å; L62-T65 PolarHBondContact O-N 2.95Å; A63-T65 VanDerWaalsContact C-N 3.34Å; A63-T65 PolarHBondContact O-N 3.17Å; T65-S68 WeakPolarHBondContact O-CB 3.22Å; T65-S68 PolarHBondContact O-N 3.45Å; T65-K69 PolarHBondContact O-N 3.47Å
66C84.2Confident81Confident2 Ų243.4 Ų43.41%0.01423%0.227CC..Hα-helixtrans-62.2-46.5175.7-73.40000111.1I38 C47 L62 A63 S68 K69 L70I38-C66 HydrophobicContact CG1-CB 4.32Å; C47-C66 VanDerWaalsContact SG-CB 3.55Å; L62-C66 PolarHBondContact O-N 3.19Å; L62-C66 PolarHBondContact O-SG 2.91Å; A63-C66 PolarHBondContact O-N 3.36Å; C66-S68 VanDerWaalsContact C-N 3.34Å; C66-S68 PolarHBondContact O-N 2.94Å; C66-K69 PolarHBondContact O-N 3.39Å; C66-L70 WeakPolarHBondContact O-CB 3.41Å; C66-L70 PolarHBondContact O-N 3.48Å
67L86.5Confident80.7Confident6 Ų643.1 Ų43.13%0.03122%0.224CC..Hα-helixtrans-59.9-43.2174.2-70.8171.3000111.5L44 C47 L51 A63 A64 K69 L70 V71 I85 I89 V110L44-L67 HydrophobicContact CD1-CD2 4.28Å; C47-L67 HydrophobicContact CB-CD1 4.28Å; C47-L67 HydrophobicContact CB-CD2 4Å; C47-L67 HydrophobicContact CB-CG 3.94Å; L51-L67 HydrophobicContact CD1-CD1 4.1Å; A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 VanDerWaalsContact O-CG 3.24Å; A63-L67 WeakPolarHBondContact O-CG 3.47Å; A63-L67 PolarHBondContact O-N 2.84Å; A64-L67 PolarHBondContact O-N 2.92Å; L67-K69 PolarHBondContact O-N 2.86Å; L67-L70 PolarHBondContact O-N 3.47Å; L67-V71 WeakPolarHBondContact O-CB 3.12Å; L67-V71 VanDerWaalsContact O-CG2 3.25Å; L67-V71 WeakPolarHBondContact O-CG2 3.38Å; L67-V71 PolarHBondContact O-N 3.4Å; L67-I85 HydrophobicContact CD2-CG2 4.26Å; L67-I89 HydrophobicContact CD1-CD1 4.14Å; L67-V110 HydrophobicContact CB-CG1 4.12Å; L67-V110 HydrophobicContact CB-CG2 4.3Å
68S86.4Confident80.6Confident13 Ų1344.7 Ų44.79%0.09123%0.233CC..Hα-helixtrans-56.6-51.3176-154.90000111.1A64 T65 C66 L70 V71 T72 K113A64-S68 WeakPolarHBondContact O-CB 3.33Å; A64-S68 PolarHBondContact O-N 3.2Å; T65-S68 WeakPolarHBondContact O-CB 3.22Å; T65-S68 PolarHBondContact O-N 3.45Å; C66-S68 VanDerWaalsContact C-N 3.34Å; C66-S68 PolarHBondContact O-N 2.94Å; S68-L70 PolarHBondContact O-N 2.84Å; S68-V71 PolarHBondContact O-N 3.15Å; S68-T72 WeakPolarHBondContact O-CG2 3.49Å; S68-T72 PolarHBondContact O-N 2.88Å; S68-T72 PolarHBondContact O-OG1 3.33Å; S68-K113 WeakPolarHBondContact OG-CD 3.48Å; S68-K113 PolarHBondContact OG-NZ 3.46Å
69K81.8Confident80.6Confident90 Ų9042.9 Ų42.939%0.39123%0.23SC..Hα-helixtrans-61.2-46.2178.6-76.2-177.3176.6-178.80111.7I38 T65 C66 L67 V71 T72 R73I38-K69 HydrophobicContact CD1-CD 3.42Å; I38-K69 VanDerWaalsContact CD1-CD 3.42Å; I38-K69 HydrophobicContact CG1-CD 4.43Å; I38-K69 HydrophobicContact CG2-CB 4.39Å; T65-K69 PolarHBondContact O-N 3.47Å; C66-K69 PolarHBondContact O-N 3.39Å; L67-K69 PolarHBondContact O-N 2.86Å; K69-V71 VanDerWaalsContact C-N 3.31Å; K69-V71 PolarHBondContact O-N 3.43Å; K69-T72 WeakPolarHBondContact CA-OG1 3.33Å; K69-T72 PolarHBondContact O-N 3.1Å; K69-T72 VanDerWaalsContact O-N 3.13Å; K69-T72 PolarHBondContact O-OG1 3.4Å; K69-R73 PolarHBondContact O-N 3.49Å
70L82.1Confident80.7Confident8 Ų848.9 Ų48.94%0.04226%0.258CS..Hα-helixtrans-62.5-37.7-177.7-169.5135.5000112.1C43 C66 L67 S68 L77C43-L70 HydrophobicContact CB-CD1 3.77Å; C66-L70 WeakPolarHBondContact O-CB 3.41Å; C66-L70 PolarHBondContact O-N 3.48Å; L67-L70 PolarHBondContact O-N 3.47Å; S68-L70 PolarHBondContact O-N 2.84Å; L70-L77 HydrophobicContact CD2-CD1 3.18Å; L70-L77 HydrophobicContact CD2-CD2 3.93Å; L70-L77 HydrophobicContact CD2-CG 3.67Å
71V81.8Confident80.6Confident2 Ų251.9 Ų51.91%0.01227%0.272CS..Hα-helixtrans-71.2-35.4174.2166.50000112.6L67 S68 K69 R73 I85 V110 L114 L117L67-V71 WeakPolarHBondContact O-CB 3.12Å; L67-V71 VanDerWaalsContact O-CG2 3.25Å; L67-V71 WeakPolarHBondContact O-CG2 3.38Å; L67-V71 PolarHBondContact O-N 3.4Å; S68-V71 PolarHBondContact O-N 3.15Å; K69-V71 VanDerWaalsContact C-N 3.31Å; K69-V71 PolarHBondContact O-N 3.43Å; V71-R73 VanDerWaalsContact C-N 3.31Å; V71-R73 PolarHBondContact O-N 3.44Å; V71-I85 HydrophobicContact CG2-CD1 4.44Å; V71-V110 HydrophobicContact CG2-CG1 4.43Å; V71-L114 HydrophobicContact CB-CD2 4.15Å; V71-L114 HydrophobicContact CB-CG 4.43Å; V71-L114 HydrophobicContact CG1-CD2 3.47Å; V71-L114 VanDerWaalsContact CG1-CD2 3.47Å; V71-L114 HydrophobicContact CG1-CG 3.74Å; V71-L114 HydrophobicContact CG2-CD1 4.31Å; V71-L114 HydrophobicContact CG2-CD2 3.52Å; V71-L114 HydrophobicContact CG2-CG 3.86Å; V71-L117 HydrophobicContact CG1-CD1 3.51Å; V71-L117 WeakPolarHBondContact O-CD1 3.38Å
72T77.1Confident80.8Confident50 Ų5051 Ų5131%0.30727%0.266SS..Hα-helixtrans-81.8-2.9-17854.30000115S68 K69 K113 R168S68-T72 WeakPolarHBondContact O-CG2 3.49Å; S68-T72 PolarHBondContact O-N 2.88Å; S68-T72 PolarHBondContact O-OG1 3.33Å; K69-T72 WeakPolarHBondContact CA-OG1 3.33Å; K69-T72 PolarHBondContact O-N 3.1Å; K69-T72 VanDerWaalsContact O-N 3.13Å; K69-T72 PolarHBondContact O-OG1 3.4Å; T72-K113 HydrophobicContact CG2-CD 4Å; T72-R168 PolarHBondContact O-NH2 2.87Å
73R73Confident81Confident75 Ų7551.8 Ų51.828%0.28327%0.27SS..SBendtrans-53.2151.3179.5-78.9-179.4163.6161.4-4.3113I38 D39 K69 V71 N75I38-R73 VanDerWaalsContact CG2-NH2 3.33Å; I38-R73 PolarHBondContact O-NH1 2.92Å; I38-R73 PolarHBondContact O-NH2 3.04Å; D39-R73 VanDerWaalsContact CA-NH2 3.31Å; D39-R73 IonicContact OD1-CZ 3.86Å; D39-R73 IonicContact OD1-NH2 2.76Å; D39-R73 PolarHBondContact OD1-NH2 3.14Å; K69-R73 PolarHBondContact O-N 3.49Å; V71-R73 VanDerWaalsContact C-N 3.31Å; V71-R73 PolarHBondContact O-N 3.44Å; R73-N75 VanDerWaalsContact C-N 3.29Å; R73-N75 PolarHBondContact O-N 3.16Å
74I63.1Low81Confident168 Ų16856.4 Ų56.486%0.86230%0.295SS*.SBendtrans-59.7-42.7176.4-62.5170.8000110.5P76I74-P76 WeakPolarHBondContact O-CD 3.29Å
75N68Low81.1Confident141 Ų14156.6 Ų56.675%0.75430%0.296SS*.SBendtrans-93.4100.7171.3-68.5-13.9000108.4R73R73-N75 VanDerWaalsContact C-N 3.29Å; R73-N75 PolarHBondContact O-N 3.16Å
76P69.3Low81.4Confident78 Ų7854.6 Ų54.651%0.50628%0.283SS..PPolyproline II helixtrans-68.2149.4-177.329.1-34.9000110.7I74I74-P76 WeakPolarHBondContact O-CD 3.29Å
77L78.5Confident81.7Confident33 Ų3357.4 Ų57.417%0.17330%0.298CS..PPolyproline II helixtrans-57.4155.5168-70.7-177.5000111.7L70 Q81 R82 I85L70-L77 HydrophobicContact CD2-CD1 3.18Å; L70-L77 HydrophobicContact CD2-CD2 3.93Å; L70-L77 HydrophobicContact CD2-CG 3.67Å; L77-Q81 HydrophobicContact CB-CB 4.42Å; L77-Q81 HydrophobicContact CD1-CB 4.31Å; L77-R82 HydrophobicContact CB-CG 3.81Å; L77-R82 HydrophobicContact CD1-CG 4.48Å; L77-R82 PolarHBondContact O-NE 3.01Å; L77-I85 HydrophobicContact CD1-CD1 3.46Å; L77-I85 VanDerWaalsContact CD1-CD1 3.46Å
78P82.6Confident81.9Confident78 Ų7859.3 Ų59.351%0.50631%0.305SS..PPolyproline II helixtrans-48.1144.2168-25.534000112E80 Q81 R82P78-E80 VanDerWaalsContact C-N 3.25Å; P78-E80 PolarHBondContact O-N 2.98Å; P78-Q81 HydrophobicContact CB-CG 4.43Å; P78-Q81 PolarHBondContact O-N 3.43Å; P78-Q81 VanDerWaalsContact O-N 3.16Å; P78-R82 PolarHBondContact O-N 3.37Å; P78-R82 VanDerWaalsContact O-N 3.1Å
79I83.4Confident82.1Confident55 Ų5558.7 Ų58.728%0.28230%0.3SS..Hα-helixtrans-55-43.3-177.7-67172.1000110.9Q81 R82 I83 E121 F129I79-Q81 PolarHBondContact O-N 2.89Å; I79-R82 PolarHBondContact O-N 3.37Å; I79-R82 VanDerWaalsContact O-N 3.15Å; I79-I83 HydrophobicContact CG2-CD1 3.72Å; I79-I83 HydrophobicContact CG2-CG1 4.38Å; I79-I83 WeakPolarHBondContact O-CG1 3.46Å; I79-I83 PolarHBondContact O-N 3.22Å; I79-E121 HydrophobicContact CD1-CB 4.45Å; I79-F129 HydrophobicContact CG2-CE2 4.26Å
80E85Confident82.5Confident127 Ų12754.7 Ų54.759%0.59328%0.284SS*.Hα-helixtrans-57.8-48.7178.4-65-177.4167.300112P78 R82 I83 D84P78-E80 VanDerWaalsContact C-N 3.25Å; P78-E80 PolarHBondContact O-N 2.98Å; E80-R82 VanDerWaalsContact C-N 3.29Å; E80-R82 PolarHBondContact O-N 3.4Å; E80-I83 WeakPolarHBondContact O-CB 3.2Å; E80-I83 PolarHBondContact O-N 3.18Å; E80-I83 VanDerWaalsContact O-N 3.13Å; E80-D84 VanDerWaalsContact O-CG 3.28Å; E80-D84 PolarHBondContact O-N 3.22Å
81Q85.1Confident82.9Confident80 Ų8059.8 Ų59.837%0.37431%0.311SS..Hα-helixtrans-63.1-35.2177.3-69.2-174.9-4.300112.5L77 P78 I79 I83 D84 I85L77-Q81 HydrophobicContact CB-CB 4.42Å; L77-Q81 HydrophobicContact CD1-CB 4.31Å; P78-Q81 HydrophobicContact CB-CG 4.43Å; P78-Q81 PolarHBondContact O-N 3.43Å; P78-Q81 VanDerWaalsContact O-N 3.16Å; I79-Q81 PolarHBondContact O-N 2.89Å; Q81-I83 VanDerWaalsContact C-N 3.35Å; Q81-D84 PolarHBondContact O-N 3.29Å; Q81-I85 WeakPolarHBondContact O-CD1 3.5Å; Q81-I85 WeakPolarHBondContact O-CG1 3.39Å; Q81-I85 PolarHBondContact O-N 3.47Å
82R88.4Confident83.3Confident12 Ų1260.3 Ų60.35%0.04531%0.313CS..Hα-helixtrans-68.1-36176.1-73.5-170.8-80.1151.1-3.9112.3L77 P78 I79 E80 R86 L114 E121 F129L77-R82 HydrophobicContact CB-CG 3.81Å; L77-R82 HydrophobicContact CD1-CG 4.48Å; L77-R82 PolarHBondContact O-NE 3.01Å; P78-R82 PolarHBondContact O-N 3.37Å; P78-R82 VanDerWaalsContact O-N 3.1Å; I79-R82 PolarHBondContact O-N 3.37Å; I79-R82 VanDerWaalsContact O-N 3.15Å; E80-R82 VanDerWaalsContact C-N 3.29Å; E80-R82 PolarHBondContact O-N 3.4Å; R82-R86 WeakPolarHBondContact O-CB 3.4Å; R82-R86 PolarHBondContact O-N 3.01Å; R82-L114 HydrophobicContact CB-CD2 3.83Å; R82-L114 HydrophobicContact CG-CD2 3.92Å; R82-E121 IonicContact CZ-OE1 3.88Å; R82-E121 VanDerWaalsContact CZ-OE1 3.24Å; R82-E121 IonicContact CZ-OE2 2.7Å; R82-E121 IonicContact NH1-OE1 2.69Å; R82-E121 PolarHBondContact NH1-OE1 3.47Å; R82-E121 IonicContact NH1-OE2 3.41Å; R82-E121 PolarHBondContact NH1-OE2 3.41Å; R82-E121 IonicContact NH2-OE1 3.24Å; R82-E121 PolarHBondContact NH2-OE1 3.17Å; R82-E121 IonicContact NH2-OE2 3.11Å; R82-E121 PolarHBondContact NH2-OE2 2.91Å; R82-F129 HydrophobicContact CB-CE1 4.37Å; R82-F129 HydrophobicContact CB-CZ 3.96Å
83I86.6Confident84Confident20 Ų2058 Ų5810%0.10330%0.298CS..Hα-helixtrans-67.7-43.1173.7-67166.1000110I79 E80 Q81 I85 R86 N87 V128 F129I79-I83 HydrophobicContact CG2-CD1 3.72Å; I79-I83 HydrophobicContact CG2-CG1 4.38Å; I79-I83 WeakPolarHBondContact O-CG1 3.46Å; I79-I83 PolarHBondContact O-N 3.22Å; E80-I83 WeakPolarHBondContact O-CB 3.2Å; E80-I83 PolarHBondContact O-N 3.18Å; E80-I83 VanDerWaalsContact O-N 3.13Å; Q81-I83 VanDerWaalsContact C-N 3.35Å; I83-I85 PolarHBondContact O-N 3.15Å; I83-R86 PolarHBondContact O-N 3.23Å; I83-N87 WeakPolarHBondContact CG2-ND2 3.35Å; I83-N87 WeakPolarHBondContact O-CB 3.29Å; I83-N87 VanDerWaalsContact O-CG 3.31Å; I83-N87 PolarHBondContact O-N 3.2Å; I83-N87 PolarHBondContact O-ND2 3.37Å; I83-V128 HydrophobicContact CD1-CB 4.28Å; I83-V128 HydrophobicContact CD1-CG2 3.78Å; I83-V128 HydrophobicContact CG1-CG2 4.37Å; I83-F129 HydrophobicContact CG1-CE1 4.22Å; I83-F129 HydrophobicContact CG1-CE2 4.25Å; I83-F129 HydrophobicContact CG1-CZ 3.76Å
84D87.6Confident84.7Confident98 Ų9855.7 Ų55.752%0.52430%0.295SS..Hα-helixtrans-60-45.1176.4-66.9-23.6000111.3E80 Q81 N87 Y88E80-D84 VanDerWaalsContact O-CG 3.28Å; E80-D84 PolarHBondContact O-N 3.22Å; Q81-D84 PolarHBondContact O-N 3.29Å; D84-N87 PolarHBondContact O-N 3.46Å; D84-Y88 WeakPolarHBondContact O-CB 3.47Å; D84-Y88 PolarHBondContact O-N 3.14Å
85I88.5Confident85.9Confident5 Ų551.7 Ų51.73%0.02628%0.282CS..Hα-helixtrans-60.2-48.6174.7-65.2161.7000110.6L44 L67 V71 L77 Q81 I83 N87 Y88 I89 L114L44-I85 HydrophobicContact CD1-CD1 3.46Å; L44-I85 VanDerWaalsContact CD1-CD1 3.46Å; L44-I85 HydrophobicContact CD1-CG1 3.5Å; L67-I85 HydrophobicContact CD2-CG2 4.26Å; V71-I85 HydrophobicContact CG2-CD1 4.44Å; L77-I85 HydrophobicContact CD1-CD1 3.46Å; L77-I85 VanDerWaalsContact CD1-CD1 3.46Å; Q81-I85 WeakPolarHBondContact O-CD1 3.5Å; Q81-I85 WeakPolarHBondContact O-CG1 3.39Å; Q81-I85 PolarHBondContact O-N 3.47Å; I83-I85 PolarHBondContact O-N 3.15Å; I85-N87 PolarHBondContact O-N 3.19Å; I85-Y88 PolarHBondContact O-N 3.21Å; I85-I89 HydrophobicContact CG2-CD1 3.64Å; I85-I89 HydrophobicContact CG2-CG1 4.26Å; I85-I89 VanDerWaalsContact O-CG1 3.26Å; I85-I89 WeakPolarHBondContact O-CG1 3.47Å; I85-I89 PolarHBondContact O-N 3.48Å; I85-L114 HydrophobicContact CB-CD1 4.16Å; I85-L114 HydrophobicContact CG2-CD1 3.72Å
86R90.6Very high86.7Confident5 Ų548.4 Ų48.42%0.01926%0.263CS..Hα-helixtrans-56.9-52179.2174.2-171.6155.8-148.9-3.7110.9R82 I83 Y88 I89 L90 L114 V128 I132 D135R82-R86 WeakPolarHBondContact O-CB 3.4Å; R82-R86 PolarHBondContact O-N 3.01Å; I83-R86 PolarHBondContact O-N 3.23Å; R86-Y88 VanDerWaalsContact C-N 3.35Å; R86-I89 PolarHBondContact O-N 3.07Å; R86-L90 HydrophobicContact CG-CD1 3.92Å; R86-L90 WeakPolarHBondContact O-CB 3.32Å; R86-L90 WeakPolarHBondContact O-CG 3.4Å; R86-L90 PolarHBondContact O-N 3.29Å; R86-L114 HydrophobicContact CB-CD1 4.1Å; R86-V128 PolarHBondContact NH1-O 3.02Å; R86-I132 VanDerWaalsContact NH2-CA 3.33Å; R86-I132 VanDerWaalsContact NH2-N 3.16Å; R86-D135 IonicContact CZ-OD2 3.14Å; R86-D135 IonicContact NH2-OD2 2.69Å; R86-D135 PolarHBondContact NH2-OD2 2.93Å
87N90.4Very high87.2Confident62 Ų6246.2 Ų46.233%0.33225%0.248SC..Hα-helixtrans-65.9-39.7-176.7-70.3-17000111.3I83 D84 I85 L90 N91I83-N87 WeakPolarHBondContact CG2-ND2 3.35Å; I83-N87 WeakPolarHBondContact O-CB 3.29Å; I83-N87 VanDerWaalsContact O-CG 3.31Å; I83-N87 PolarHBondContact O-N 3.2Å; I83-N87 PolarHBondContact O-ND2 3.37Å; D84-N87 PolarHBondContact O-N 3.46Å; I85-N87 PolarHBondContact O-N 3.19Å; N87-L90 PolarHBondContact O-N 3.38Å; N87-N91 WeakPolarHBondContact O-CB 3.3Å; N87-N91 PolarHBondContact O-N 3.44Å; N87-N91 PolarHBondContact O-ND2 3.31Å
88Y90.5Very high87.4Confident45 Ų4553 Ų5318%0.17628%0.277CS..Hα-helixtrans-59.2-51.9174.5179-93.4000111.4Q48 L51 E52 D84 I85 R86 L90 N91 Y92Q48-Y88 HydrophobicContact CG-CE1 4.11Å; Q48-Y88 HydrophobicContact CG-CE2 4.22Å; Q48-Y88 PolarHBondContact O-OH 3.09Å; L51-Y88 HydrophobicContact CB-CE1 4.45Å; L51-Y88 HydrophobicContact CD1-CE1 3.8Å; E52-Y88 WeakPolarHBondContact CG-OH 3.21Å; E52-Y88 VanDerWaalsContact OE1-CE2 3.31Å; E52-Y88 WeakPolarHBondContact OE1-CE2 3.44Å; E52-Y88 PolarHBondContact OE1-OH 3.45Å; D84-Y88 WeakPolarHBondContact O-CB 3.47Å; D84-Y88 PolarHBondContact O-N 3.14Å; I85-Y88 PolarHBondContact O-N 3.21Å; R86-Y88 VanDerWaalsContact C-N 3.35Å; Y88-L90 PolarHBondContact O-N 2.93Å; Y88-N91 PolarHBondContact O-N 3.14Å; Y88-Y92 VanDerWaalsContact O-CB 3.22Å; Y88-Y92 WeakPolarHBondContact O-CB 3.34Å; Y88-Y92 PolarHBondContact O-N 3.3Å
89I91.1Very high87.5Confident0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-64.5-42.5-179.2-60.2170.2000110.6L67 I85 R86 N91 Y92 V93 L107 V110 I111L67-I89 HydrophobicContact CD1-CD1 4.14Å; I85-I89 HydrophobicContact CG2-CD1 3.64Å; I85-I89 HydrophobicContact CG2-CG1 4.26Å; I85-I89 VanDerWaalsContact O-CG1 3.26Å; I85-I89 WeakPolarHBondContact O-CG1 3.47Å; I85-I89 PolarHBondContact O-N 3.48Å; R86-I89 PolarHBondContact O-N 3.07Å; I89-N91 PolarHBondContact O-N 2.84Å; I89-Y92 PolarHBondContact O-N 3.33Å; I89-V93 HydrophobicContact CG2-CG2 4.11Å; I89-V93 WeakPolarHBondContact O-CG2 3.17Å; I89-V93 PolarHBondContact O-N 3.26Å; I89-L107 HydrophobicContact CG1-CD2 4.45Å; I89-L107 HydrophobicContact CG2-CB 3.7Å; I89-L107 HydrophobicContact CG2-CD2 4.02Å; I89-L107 HydrophobicContact CG2-CG 4.3Å; I89-V110 HydrophobicContact CD1-CB 3.98Å; I89-V110 HydrophobicContact CD1-CG1 3.63Å; I89-I111 HydrophobicContact CB-CD1 4.06Å; I89-I111 HydrophobicContact CB-CG1 4.02Å; I89-I111 HydrophobicContact CG2-CD1 3.54Å; I89-I111 HydrophobicContact CG2-CG1 3.77Å
90L90Very high87.7Confident7 Ų748.5 Ų48.54%0.03725%0.252CS..Hα-helixtrans-58.1-47.8176.1-78.6171.2000111.6R86 N87 Y88 A94 I111 F139 I153R86-L90 HydrophobicContact CG-CD1 3.92Å; R86-L90 WeakPolarHBondContact O-CB 3.32Å; R86-L90 WeakPolarHBondContact O-CG 3.4Å; R86-L90 PolarHBondContact O-N 3.29Å; N87-L90 PolarHBondContact O-N 3.38Å; Y88-L90 PolarHBondContact O-N 2.93Å; L90-A94 VanDerWaalsContact O-CB 3.27Å; L90-A94 WeakPolarHBondContact O-CB 3.39Å; L90-A94 PolarHBondContact O-N 3.26Å; L90-I111 HydrophobicContact CD2-CD1 3.74Å; L90-I111 HydrophobicContact CG-CD1 3.91Å; L90-F139 HydrophobicContact CD2-CE2 4.2Å; L90-F139 HydrophobicContact CD2-CZ 4.39Å; L90-I153 HydrophobicContact CD2-CD1 3.98Å
91N91Very high87.7Confident115 Ų11547.7 Ų47.762%0.61526%0.257SS*.Hα-helixtrans-66.3-38177.6-71.1-26.2000112.1N87 Y88 I89 A94 S95N87-N91 WeakPolarHBondContact O-CB 3.3Å; N87-N91 PolarHBondContact O-N 3.44Å; N87-N91 PolarHBondContact O-ND2 3.31Å; Y88-N91 PolarHBondContact O-N 3.14Å; I89-N91 PolarHBondContact O-N 2.84Å; N91-A94 PolarHBondContact O-N 3.44Å; N91-S95 WeakPolarHBondContact O-CB 3.43Å; N91-S95 PolarHBondContact O-N 2.87Å; N91-S95 PolarHBondContact O-OG 2.89Å; N91-S95 VanDerWaalsContact O-OG 3.09Å
92Y89.9Confident87.8Confident12 Ų1248.1 Ų48.15%0.04726%0.258CS..Hα-helixtrans-63.5-51.4179.2-177.6-99000111.1L51 Q60 Y88 I89 A94 S95 Q96 L99 L107L51-Y92 HydrophobicContact CB-CE1 4.38Å; L51-Y92 HydrophobicContact CB-CE2 4Å; L51-Y92 HydrophobicContact CD2-CE1 4.02Å; L51-Y92 VanDerWaalsContact O-CE2 3.31Å; L51-Y92 WeakPolarHBondContact O-CE2 3.47Å; L51-Y92 VanDerWaalsContact O-CZ 3.29Å; L51-Y92 PolarHBondContact O-OH 3.23Å; Q60-Y92 PolarHBondContact NE2-OH 3.08Å; Y88-Y92 VanDerWaalsContact O-CB 3.22Å; Y88-Y92 WeakPolarHBondContact O-CB 3.34Å; Y88-Y92 PolarHBondContact O-N 3.3Å; I89-Y92 PolarHBondContact O-N 3.33Å; Y92-A94 VanDerWaalsContact C-N 3.29Å; Y92-A94 PolarHBondContact O-N 3.32Å; Y92-S95 PolarHBondContact O-N 3.03Å; Y92-S95 PolarHBondContact O-OG 3.14Å; Y92-Q96 PolarHBondContact O-N 3.22Å; Y92-L99 HydrophobicContact CD1-CD1 3.95Å; Y92-L99 HydrophobicContact CE1-CD1 3.39Å; Y92-L99 HydrophobicContact CE1-CD2 4.32Å; Y92-L99 HydrophobicContact CE1-CG 4.48Å; Y92-L107 HydrophobicContact CD1-CD1 3.8Å; Y92-L107 HydrophobicContact CE1-CD1 3.87Å
93V90.7Very high87.8Confident1 Ų147.5 Ų47.51%0.00626%0.256CS..Hα-helixtrans-66.9-31.6178-1750000111.5I89 I104 L107 I149I89-V93 HydrophobicContact CG2-CG2 4.11Å; I89-V93 WeakPolarHBondContact O-CG2 3.17Å; I89-V93 PolarHBondContact O-N 3.26Å; V93-I104 HydrophobicContact CG1-CG2 4.04Å; V93-L107 HydrophobicContact CG2-CB 4.1Å; V93-L107 HydrophobicContact CG2-CD1 3.88Å; V93-I149 HydrophobicContact CG1-CD1 4.09Å; V93-I149 HydrophobicContact CG1-CG1 4.32Å; V93-I149 HydrophobicContact CG1-CG2 3.55Å
94A88.6Confident88Confident27 Ų2747.2 Ų47.222%0.22325%0.254CS..Hα-helixtrans-66.5-41.7171.900000112.9L90 N91 Y92 Q96 F139 H146L90-A94 VanDerWaalsContact O-CB 3.27Å; L90-A94 WeakPolarHBondContact O-CB 3.39Å; L90-A94 PolarHBondContact O-N 3.26Å; N91-A94 PolarHBondContact O-N 3.44Å; Y92-A94 VanDerWaalsContact C-N 3.29Å; Y92-A94 PolarHBondContact O-N 3.32Å; A94-Q96 VanDerWaalsContact C-N 3.34Å; A94-F139 HydrophobicContact CB-CE1 3.62Å; A94-F139 HydrophobicContact CB-CZ 3.65Å; A94-H146 PolarHBondContact O-NE2 3.1Å; A94-H146 VanDerWaalsContact O-NE2 3.09Å
95S88.3Confident88.2Confident84 Ų8445.8 Ų45.859%0.58724%0.244SC*.Hα-helixtrans-75.9-22.6-178.164.80000113.5N91 Y92 P97N91-S95 WeakPolarHBondContact O-CB 3.43Å; N91-S95 PolarHBondContact O-N 2.87Å; N91-S95 PolarHBondContact O-OG 2.89Å; N91-S95 VanDerWaalsContact O-OG 3.09Å; Y92-S95 PolarHBondContact O-N 3.03Å; Y92-S95 PolarHBondContact O-OG 3.14Å; S95-P97 WeakPolarHBondContact O-CD 3.42Å
96Q85.7Confident88.3Confident73 Ų7346.1 Ų46.134%0.34125%0.248SC..  trans-127.468.5-176.7-56.9-168.120.800112.4Y92 A94 K98 L99Y92-Q96 PolarHBondContact O-N 3.22Å; A94-Q96 VanDerWaalsContact C-N 3.34Å; Q96-K98 PolarHBondContact O-N 2.92Å; Q96-L99 HydrophobicContact CB-CD1 3.78Å; Q96-L99 HydrophobicContact CB-CG 3.8Å; Q96-L99 WeakPolarHBondContact O-CD1 3.38Å; Q96-L99 WeakPolarHBondContact O-CG 3.22Å; Q96-L99 PolarHBondContact O-N 3.39Å
97P79.8Confident88.4Confident31 Ų3145.9 Ų45.920%0.20125%0.247CC..THydrogen-bonded Turntrans-64.2-16.4-179.125.5-34.2000113.9S95 E145 I149S95-P97 WeakPolarHBondContact O-CD 3.42Å; P97-E145 HydrophobicContact CB-CB 3.99Å; P97-I149 HydrophobicContact CB-CD1 3.89Å
98K81.5Confident88.6Confident177 Ų17743 Ų4377%0.7723%0.231SC*.THydrogen-bonded Turntrans-91.410-178.1-61.6-173.6178.2-176.30114.5Q96Q96-K98 PolarHBondContact O-N 2.92Å
99L85.4Confident88.7Confident16 Ų1644.3 Ų44.38%0.08424%0.239CC..SBendtrans-58.3154.7172.8-77.3164.2000111.1Y92 Q96 I104Y92-L99 HydrophobicContact CD1-CD1 3.95Å; Y92-L99 HydrophobicContact CE1-CD1 3.39Å; Y92-L99 HydrophobicContact CE1-CD2 4.32Å; Y92-L99 HydrophobicContact CE1-CG 4.48Å; Q96-L99 HydrophobicContact CB-CD1 3.78Å; Q96-L99 HydrophobicContact CB-CG 3.8Å; Q96-L99 WeakPolarHBondContact O-CD1 3.38Å; Q96-L99 WeakPolarHBondContact O-CG 3.22Å; Q96-L99 PolarHBondContact O-N 3.39Å; L99-I104 HydrophobicContact CB-CD1 3.95Å; L99-I104 HydrophobicContact CB-CG1 3.63Å; L99-I104 WeakPolarHBondContact O-CD1 3.42Å
100A86.7Confident88.8Confident22 Ų2244.3 Ų44.318%0.18224%0.239CC..  trans-58.2134.6176.800000110.3F102 V103 I104A100-F102 HydrophobicContact CB-CD1 3.97Å; A100-F102 HydrophobicContact CB-CE1 3.55Å; A100-F102 HydrophobicContact CB-CZ 3.91Å; A100-F102 PolarHBondContact O-N 3.29Å; A100-F102 VanDerWaalsContact O-N 3.1Å; A100-V103 HydrophobicContact CB-CG2 4.07Å; A100-V103 WeakPolarHBondContact O-CA 3.31Å; A100-V103 WeakPolarHBondContact O-CB 3.47Å; A100-V103 PolarHBondContact O-N 2.9Å; A100-I104 PolarHBondContact O-N 3.39Å; A100-I104 VanDerWaalsContact O-N 3.15Å
101P85.9Confident88.9Confident109 Ų10944 Ų4471%0.70824%0.238SC*.Hα-helixtrans-55.3-36.2-172.3-29.634.8000114.5V103 I104 Q105P101-V103 VanDerWaalsContact C-N 3.33Å; P101-V103 PolarHBondContact O-N 3.45Å; P101-I104 PolarHBondContact O-N 2.91Å; P101-Q105 WeakPolarHBondContact O-CB 3.46Å; P101-Q105 PolarHBondContact O-N 3.05Å
102F86.6Confident89Confident89 Ų8938.6 Ų38.639%0.3921%0.209SC..Hα-helixtrans-69.4-28.1177.665.6-96.6000113.3L61 A100 A106L61-F102 HydrophobicContact CB-CD2 4.42Å; L61-F102 HydrophobicContact CB-CE2 4.17Å; L61-F102 HydrophobicContact CD1-CD2 4.3Å; L61-F102 HydrophobicContact CD2-CD2 4Å; L61-F102 HydrophobicContact CD2-CE2 4.07Å; L61-F102 HydrophobicContact CG-CD2 4.47Å; A100-F102 HydrophobicContact CB-CD1 3.97Å; A100-F102 HydrophobicContact CB-CE1 3.55Å; A100-F102 HydrophobicContact CB-CZ 3.91Å; A100-F102 PolarHBondContact O-N 3.29Å; A100-F102 VanDerWaalsContact O-N 3.1Å; F102-A106 WeakPolarHBondContact O-CB 3.43Å; F102-A106 PolarHBondContact O-N 3.16Å
103V89.1Confident89Confident0 Ų040 Ų400%022%0.215CC..Hα-helixtrans-72.9-46.2174.2178.30000109.7S57 Q60 L61 A100 P101 Q105 A106 L107S57-V103 VanDerWaalsContact O-CG2 3.29Å; S57-V103 WeakPolarHBondContact O-CG2 3.17Å; Q60-V103 HydrophobicContact CB-CG1 3.6Å; Q60-V103 HydrophobicContact CB-CG2 4.18Å; L61-V103 HydrophobicContact CB-CG2 4.49Å; A100-V103 HydrophobicContact CB-CG2 4.07Å; A100-V103 WeakPolarHBondContact O-CA 3.31Å; A100-V103 WeakPolarHBondContact O-CB 3.47Å; A100-V103 PolarHBondContact O-N 2.9Å; P101-V103 VanDerWaalsContact C-N 3.33Å; P101-V103 PolarHBondContact O-N 3.45Å; V103-Q105 VanDerWaalsContact C-N 3.3Å; V103-Q105 PolarHBondContact O-N 3.49Å; V103-A106 PolarHBondContact O-N 3.35Å; V103-L107 HydrophobicContact CG1-CD1 4Å; V103-L107 HydrophobicContact CG1-CG 4.41Å; V103-L107 WeakPolarHBondContact O-CB 3.44Å; V103-L107 WeakPolarHBondContact O-CG 3.23Å; V103-L107 PolarHBondContact O-N 3.12Å
104I89.7Confident89Confident13 Ų1340 Ų407%0.06722%0.215CC..Hα-helixtrans-55.5-49.5174.7-65.1177.5000109.6V93 L99 A100 P101 A106 L107 I108 I149V93-I104 HydrophobicContact CG1-CG2 4.04Å; L99-I104 HydrophobicContact CB-CD1 3.95Å; L99-I104 HydrophobicContact CB-CG1 3.63Å; L99-I104 WeakPolarHBondContact O-CD1 3.42Å; A100-I104 PolarHBondContact O-N 3.39Å; A100-I104 VanDerWaalsContact O-N 3.15Å; P101-I104 PolarHBondContact O-N 2.91Å; I104-A106 PolarHBondContact O-N 3.01Å; I104-L107 PolarHBondContact O-N 3.44Å; I104-I108 HydrophobicContact CG2-CD1 3.54Å; I104-I108 HydrophobicContact CG2-CG1 4.26Å; I104-I108 WeakPolarHBondContact O-CB 3.26Å; I104-I108 VanDerWaalsContact O-CG1 3.23Å; I104-I108 WeakPolarHBondContact O-CG1 3.44Å; I104-I108 PolarHBondContact O-N 3.27Å; I104-I149 HydrophobicContact CG2-CG1 4.45Å
105Q91.6Very high89.1Confident68 Ų6838.7 Ų38.732%0.31821%0.205SC..Hα-helixtrans-55.7-48.5177.1-174.169.521.700112.1P101 V103 L107 I108 Q109 E156P101-Q105 WeakPolarHBondContact O-CB 3.46Å; P101-Q105 PolarHBondContact O-N 3.05Å; V103-Q105 VanDerWaalsContact C-N 3.3Å; V103-Q105 PolarHBondContact O-N 3.49Å; Q105-L107 PolarHBondContact O-N 3.4Å; Q105-I108 PolarHBondContact O-N 3.1Å; Q105-Q109 PolarHBondContact O-N 3.16Å; Q105-E156 PolarHBondContact NE2-OE1 2.93Å; Q105-E156 PolarHBondContact NE2-OE2 3.37Å
106A90.6Very high89.2Confident13 Ų1335.3 Ų35.311%0.10718%0.179CC..Hα-helixtrans-64-41.9-179.500000112.5L61 A64 F102 V103 I104 Q109 V110L61-A106 HydrophobicContact CD1-CB 3.54Å; A64-A106 HydrophobicContact CB-CB 3.72Å; F102-A106 WeakPolarHBondContact O-CB 3.43Å; F102-A106 PolarHBondContact O-N 3.16Å; V103-A106 PolarHBondContact O-N 3.35Å; I104-A106 PolarHBondContact O-N 3.01Å; A106-Q109 WeakPolarHBondContact O-CB 3.34Å; A106-Q109 PolarHBondContact O-N 3.07Å; A106-V110 WeakPolarHBondContact O-CG2 3.13Å; A106-V110 PolarHBondContact O-N 2.85Å
107L93.2Very high89.3Confident0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-65.8-42.5176.7-74.2175.3000112L51 A64 I89 Y92 V93 V103 I104 Q105 Q109 V110 I111L51-L107 HydrophobicContact CD1-CD2 4.23Å; L51-L107 HydrophobicContact CD2-CD1 4.29Å; L51-L107 HydrophobicContact CD2-CD2 4.1Å; A64-L107 HydrophobicContact CB-CD2 3.69Å; A64-L107 HydrophobicContact CB-CG 4.04Å; I89-L107 HydrophobicContact CG1-CD2 4.45Å; I89-L107 HydrophobicContact CG2-CB 3.7Å; I89-L107 HydrophobicContact CG2-CD2 4.02Å; I89-L107 HydrophobicContact CG2-CG 4.3Å; Y92-L107 HydrophobicContact CD1-CD1 3.8Å; Y92-L107 HydrophobicContact CE1-CD1 3.87Å; V93-L107 HydrophobicContact CG2-CB 4.1Å; V93-L107 HydrophobicContact CG2-CD1 3.88Å; V103-L107 HydrophobicContact CG1-CD1 4Å; V103-L107 HydrophobicContact CG1-CG 4.41Å; V103-L107 WeakPolarHBondContact O-CB 3.44Å; V103-L107 WeakPolarHBondContact O-CG 3.23Å; V103-L107 PolarHBondContact O-N 3.12Å; I104-L107 PolarHBondContact O-N 3.44Å; Q105-L107 PolarHBondContact O-N 3.4Å; L107-Q109 VanDerWaalsContact C-N 3.28Å; L107-Q109 PolarHBondContact O-N 2.95Å; L107-V110 WeakPolarHBondContact O-CB 3.4Å; L107-V110 PolarHBondContact O-N 2.96Å; L107-V110 VanDerWaalsContact O-N 3.13Å; L107-I111 PolarHBondContact O-N 3.26Å; L107-I111 VanDerWaalsContact O-N 3.12Å
108I93.8Very high89.7Confident0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-62.3-38.8175-70.1174.1000110.7I104 Q105 V110 I111 A112 I152 I153 E156I104-I108 HydrophobicContact CG2-CD1 3.54Å; I104-I108 HydrophobicContact CG2-CG1 4.26Å; I104-I108 WeakPolarHBondContact O-CB 3.26Å; I104-I108 VanDerWaalsContact O-CG1 3.23Å; I104-I108 WeakPolarHBondContact O-CG1 3.44Å; I104-I108 PolarHBondContact O-N 3.27Å; Q105-I108 PolarHBondContact O-N 3.1Å; I108-V110 VanDerWaalsContact C-N 3.26Å; I108-V110 PolarHBondContact O-N 3.04Å; I108-I111 WeakPolarHBondContact O-CA 3.47Å; I108-I111 WeakPolarHBondContact O-CB 3.33Å; I108-I111 PolarHBondContact O-N 3.49Å; I108-I111 VanDerWaalsContact O-N 3.07Å; I108-A112 PolarHBondContact O-N 2.98Å; I108-I152 HydrophobicContact CD1-CB 3.84Å; I108-I152 HydrophobicContact CD1-CG2 3.45Å; I108-I152 VanDerWaalsContact CD1-CG2 3.45Å; I108-I152 HydrophobicContact CG2-CG2 4.33Å; I108-I153 HydrophobicContact CD1-CG1 3.78Å; I108-I153 HydrophobicContact CG1-CG1 3.77Å; I108-I153 HydrophobicContact CG2-CB 4.33Å; I108-I153 HydrophobicContact CG2-CG1 4Å; I108-E156 HydrophobicContact CG2-CB 3.6Å; I108-E156 HydrophobicContact CG2-CG 3.68Å
109Q93.4Very high90Very high73 Ų7323.1 Ų23.134%0.34112%0.123SC..Hα-helixtrans-61.2-35.8175.3-163.6-177.722.400112Q105 A106 L107 A112 K113Q105-Q109 PolarHBondContact O-N 3.16Å; A106-Q109 WeakPolarHBondContact O-CB 3.34Å; A106-Q109 PolarHBondContact O-N 3.07Å; L107-Q109 VanDerWaalsContact C-N 3.28Å; L107-Q109 PolarHBondContact O-N 2.95Å; Q109-A112 PolarHBondContact O-N 3.15Å; Q109-K113 WeakPolarHBondContact O-CB 3.44Å; Q109-K113 WeakPolarHBondContact O-CG 3.36Å; Q109-K113 PolarHBondContact O-N 2.83Å
110V92.5Very high90Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-63.6-44.3172.2-179.40000110.9A64 L67 V71 I89 A106 L107 I108 A112 K113 L114A64-V110 VanDerWaalsContact O-CG2 3.24Å; A64-V110 WeakPolarHBondContact O-CG2 3.4Å; L67-V110 HydrophobicContact CB-CG1 4.12Å; L67-V110 HydrophobicContact CB-CG2 4.3Å; V71-V110 HydrophobicContact CG2-CG1 4.43Å; I89-V110 HydrophobicContact CD1-CB 3.98Å; I89-V110 HydrophobicContact CD1-CG1 3.63Å; A106-V110 WeakPolarHBondContact O-CG2 3.13Å; A106-V110 PolarHBondContact O-N 2.85Å; L107-V110 WeakPolarHBondContact O-CB 3.4Å; L107-V110 PolarHBondContact O-N 2.96Å; L107-V110 VanDerWaalsContact O-N 3.13Å; I108-V110 VanDerWaalsContact C-N 3.26Å; I108-V110 PolarHBondContact O-N 3.04Å; V110-A112 PolarHBondContact O-N 3.37Å; V110-K113 PolarHBondContact O-N 2.89Å; V110-L114 HydrophobicContact CG1-CD1 4.08Å; V110-L114 HydrophobicContact CG1-CG 4.46Å; V110-L114 WeakPolarHBondContact O-CB 3.23Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 2.86Å
111I93Very high89.9Confident1 Ų126.6 Ų26.61%0.00513%0.134CC..Hα-helixtrans-60.2-46.2176.4-65.7167.7000110.8I89 L90 L107 I108 K113 L114 T115 I132I89-I111 HydrophobicContact CB-CD1 4.06Å; I89-I111 HydrophobicContact CB-CG1 4.02Å; I89-I111 HydrophobicContact CG2-CD1 3.54Å; I89-I111 HydrophobicContact CG2-CG1 3.77Å; L90-I111 HydrophobicContact CD2-CD1 3.74Å; L90-I111 HydrophobicContact CG-CD1 3.91Å; L107-I111 PolarHBondContact O-N 3.26Å; L107-I111 VanDerWaalsContact O-N 3.12Å; I108-I111 WeakPolarHBondContact O-CA 3.47Å; I108-I111 WeakPolarHBondContact O-CB 3.33Å; I108-I111 PolarHBondContact O-N 3.49Å; I108-I111 VanDerWaalsContact O-N 3.07Å; I111-K113 PolarHBondContact O-N 2.94Å; I111-L114 PolarHBondContact O-N 3.4Å; I111-T115 WeakPolarHBondContact O-CB 3.5Å; I111-T115 PolarHBondContact O-N 3.39Å; I111-T115 PolarHBondContact O-OG1 3.43Å; I111-I132 HydrophobicContact CG2-CD1 3.31Å
112A93.5Very high89.5Confident2 Ų224.9 Ų24.92%0.01712%0.121CC..Hα-helixtrans-60.6-45.4179.200000111.3I108 Q109 V110 T115 K116 E156 E160I108-A112 PolarHBondContact O-N 2.98Å; Q109-A112 PolarHBondContact O-N 3.15Å; V110-A112 PolarHBondContact O-N 3.37Å; A112-T115 PolarHBondContact O-N 3.05Å; A112-K116 WeakPolarHBondContact O-CB 3.33Å; A112-K116 PolarHBondContact O-N 3.38Å; A112-E156 HydrophobicContact CB-CB 4.36Å; A112-E160 HydrophobicContact CB-CB 3.75Å; A112-E160 HydrophobicContact CB-CG 3.96Å
113K90.3Very high89Confident41 Ų4123 Ų2318%0.17811%0.114CC..Hα-helixtrans-62.5-48.7175.1-74.7175.2-178.8-178.90112S68 T72 Q109 V110 I111 T115 K116 L117 E160S68-K113 WeakPolarHBondContact OG-CD 3.48Å; S68-K113 PolarHBondContact OG-NZ 3.46Å; T72-K113 HydrophobicContact CG2-CD 4Å; Q109-K113 WeakPolarHBondContact O-CB 3.44Å; Q109-K113 WeakPolarHBondContact O-CG 3.36Å; Q109-K113 PolarHBondContact O-N 2.83Å; V110-K113 PolarHBondContact O-N 2.89Å; I111-K113 PolarHBondContact O-N 2.94Å; K113-T115 VanDerWaalsContact C-N 3.26Å; K113-T115 PolarHBondContact O-N 3.1Å; K113-K116 PolarHBondContact O-N 2.96Å; K113-L117 WeakPolarHBondContact O-CB 3.41Å; K113-L117 WeakPolarHBondContact O-CG 3.35Å; K113-L117 PolarHBondContact O-N 2.96Å; K113-E160 HydrophobicContact CG-CG 4.05Å
114L90.3Very high88.6Confident0 Ų032 Ų320%015%0.153CC..Hα-helixtrans-53.4-46.9175.6-84.4169.9000111.4V71 R82 I85 R86 V110 I111 L117 G118V71-L114 HydrophobicContact CB-CD2 4.15Å; V71-L114 HydrophobicContact CB-CG 4.43Å; V71-L114 HydrophobicContact CG1-CD2 3.47Å; V71-L114 VanDerWaalsContact CG1-CD2 3.47Å; V71-L114 HydrophobicContact CG1-CG 3.74Å; V71-L114 HydrophobicContact CG2-CD1 4.31Å; V71-L114 HydrophobicContact CG2-CD2 3.52Å; V71-L114 HydrophobicContact CG2-CG 3.86Å; R82-L114 HydrophobicContact CB-CD2 3.83Å; R82-L114 HydrophobicContact CG-CD2 3.92Å; I85-L114 HydrophobicContact CB-CD1 4.16Å; I85-L114 HydrophobicContact CG2-CD1 3.72Å; R86-L114 HydrophobicContact CB-CD1 4.1Å; V110-L114 HydrophobicContact CG1-CD1 4.08Å; V110-L114 HydrophobicContact CG1-CG 4.46Å; V110-L114 WeakPolarHBondContact O-CB 3.23Å; V110-L114 WeakPolarHBondContact O-CG 3.4Å; V110-L114 PolarHBondContact O-N 2.86Å; I111-L114 PolarHBondContact O-N 3.4Å; L114-L117 PolarHBondContact O-N 3.23Å; L114-G118 PolarHBondContact O-N 3.46Å
115T91.2Very high87.9Confident0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-63.7-47-179.3-56.70000111.8I111 A112 K113 L117 G118 W119 I132 L157 M161I111-T115 WeakPolarHBondContact O-CB 3.5Å; I111-T115 PolarHBondContact O-N 3.39Å; I111-T115 PolarHBondContact O-OG1 3.43Å; A112-T115 PolarHBondContact O-N 3.05Å; K113-T115 VanDerWaalsContact C-N 3.26Å; K113-T115 PolarHBondContact O-N 3.1Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 2.93Å; T115-G118 CarbonylContact O-C 3.12Å; T115-G118 PolarHBondContact O-N 3.13Å; T115-W119 HydrophobicContact CG2-CE3 3.94Å; T115-W119 HydrophobicContact CG2-CZ3 3.98Å; T115-W119 WeakPolarHBondContact O-CA 3.49Å; T115-W119 PolarHBondContact O-N 2.89Å; T115-I132 HydrophobicContact CG2-CD1 4.46Å; T115-I132 HydrophobicContact CG2-CG2 3.88Å; T115-I132 WeakPolarHBondContact OG1-CD1 3.24Å; T115-L157 HydrophobicContact CG2-CD1 3.58Å; T115-L157 HydrophobicContact CG2-CD2 4.48Å; T115-M161 HydrophobicContact CG2-CE 3.89Å
116K90.2Very high87.3Confident13 Ų1341.1 Ų41.16%0.05720%0.201CC..Hα-helixtrans-59.6-44.5175.2177179177.2179.40111.7A112 K113 W119 E160 M161 L163 I176A112-K116 WeakPolarHBondContact O-CB 3.33Å; A112-K116 PolarHBondContact O-N 3.38Å; K113-K116 PolarHBondContact O-N 2.96Å; K116-W119 WeakPolarHBondContact O-CB 3.26Å; K116-W119 PolarHBondContact O-N 3.41Å; K116-E160 HydrophobicContact CB-CG 4.43Å; K116-E160 HydrophobicContact CD-CG 3.84Å; K116-E160 VanDerWaalsContact CD-O 3.27Å; K116-E160 WeakPolarHBondContact CD-O 3.45Å; K116-E160 WeakPolarHBondContact CD-OE1 3.43Å; K116-E160 VanDerWaalsContact CE-O 3.28Å; K116-E160 WeakPolarHBondContact CE-O 3.33Å; K116-E160 PolarHBondContact NZ-O 3.39Å; K116-E160 IonicContact NZ-OE1 3.62Å; K116-E160 PolarHBondContact NZ-OE1 3.36Å; K116-M161 HydrophobicContact CB-CE 4.01Å; K116-M161 HydrophobicContact CB-SD 3.94Å; K116-M161 HydrophobicContact CG-SD 4.08Å; K116-L163 PolarHBondContact NZ-O 2.87Å; K116-I176 HydrophobicContact CG-CG2 4.23Å; K116-I176 WeakPolarHBondContact O-CD1 3.47Å
117L86.8Confident86.9Confident25 Ų2544.6 Ų44.613%0.13121%0.214CC..Hα-helixtrans-68.2-39.4-178.2-69.1175.2000112.9V71 K113 L114 T115V71-L117 HydrophobicContact CG1-CD1 3.51Å; V71-L117 WeakPolarHBondContact O-CD1 3.38Å; K113-L117 WeakPolarHBondContact O-CB 3.41Å; K113-L117 WeakPolarHBondContact O-CG 3.35Å; K113-L117 PolarHBondContact O-N 2.96Å; L114-L117 PolarHBondContact O-N 3.23Å; T115-L117 VanDerWaalsContact C-N 3.34Å; T115-L117 PolarHBondContact O-N 2.93Å
118G87.9Confident86.5Confident0 Ų045.4 Ų45.40%022%0.218CC..THydrogen-bonded Turntrans-88.87177.700000114.8L114 T115 F120 E121 F129L114-G118 PolarHBondContact O-N 3.46Å; T115-G118 CarbonylContact O-C 3.12Å; T115-G118 PolarHBondContact O-N 3.13Å; G118-F120 PolarHBondContact O-N 2.92Å; G118-E121 WeakPolarHBondContact O-CB 3.47Å; G118-E121 PolarHBondContact O-N 3.24Å; G118-F129 VanDerWaalsContact O-CD2 3.27Å; G118-F129 WeakPolarHBondContact O-CD2 3.4Å
119W89.4Confident86.2Confident1 Ų145.5 Ų45.50%0.00422%0.219CC..THydrogen-bonded Turntrans-57-28-167.7-171.8-105.2000115.6T115 K116 R130 M161 I176 S179 F180T115-W119 HydrophobicContact CG2-CE3 3.94Å; T115-W119 HydrophobicContact CG2-CZ3 3.98Å; T115-W119 WeakPolarHBondContact O-CA 3.49Å; T115-W119 PolarHBondContact O-N 2.89Å; K116-W119 WeakPolarHBondContact O-CB 3.26Å; K116-W119 PolarHBondContact O-N 3.41Å; W119-R130 HydrophobicContact CD2-CG 4.15Å; W119-R130 HydrophobicContact CE3-CG 3.95Å; W119-R130 HydrophobicContact CH2-CB 4.4Å; W119-R130 HydrophobicContact CH2-CG 3.91Å; W119-R130 HydrophobicContact CZ2-CG 4.09Å; W119-R130 HydrophobicContact CZ3-CB 4.38Å; W119-R130 HydrophobicContact CZ3-CG 3.86Å; W119-R130 PolarHBondContact O-NE 2.97Å; W119-R130 PolarHBondContact O-NH2 3.13Å; W119-M161 HydrophobicContact CD2-CE 3.8Å; W119-M161 HydrophobicContact CE3-CE 3.27Å; W119-M161 HydrophobicContact CG-CE 4.39Å; W119-M161 HydrophobicContact CZ3-CE 3.69Å; W119-I176 HydrophobicContact CB-CG1 4.19Å; W119-I176 HydrophobicContact CB-CG2 3.9Å; W119-I176 HydrophobicContact CG-CG2 3.84Å; W119-S179 PolarHBondContact NE1-OG 3.02Å; W119-S179 VanDerWaalsContact NE1-OG 3.1Å; W119-F180 HydrophobicContact CH2-CB 4.47Å; W119-F180 AromaticContact CH2-CD2 3.57Å; W119-F180 HydrophobicContact CH2-CD2 3.57Å; W119-F180 HydrophobicContact CH2-CE2 4.37Å; W119-F180 HydrophobicContact CZ2-CB 3.92Å; W119-F180 AromaticContact CZ2-CD2 3.89Å; W119-F180 HydrophobicContact CZ2-CD2 3.89Å; W119-F180 HydrophobicContact CZ2-CG 4.42Å; W119-F180 HydrophobicContact CZ3-CD2 4.09Å
120F84.5Confident85.9Confident70 Ų7044.3 Ų44.331%0.30721%0.211SC..THydrogen-bonded Turntrans-111.67.3176.9-71.6-71.6000113.3G118 K175 I176G118-F120 PolarHBondContact O-N 2.92Å; F120-K175 HydrophobicContact CD2-CD 4.5Å; F120-K175 HydrophobicContact CE2-CB 4.21Å; F120-K175 HydrophobicContact CE2-CD 3.87Å; F120-K175 HydrophobicContact CE2-CG 3.7Å; F120-K175 HydrophobicContact CZ-CD 3.99Å; F120-K175 HydrophobicContact CZ-CG 3.66Å; F120-I176 HydrophobicContact CD2-CG1 3.87Å; F120-I176 HydrophobicContact CE2-CB 4.34Å; F120-I176 HydrophobicContact CE2-CG1 3.69Å
121E83.6Confident85.5Confident41 Ų4148.8 Ų48.819%0.19223%0.232CC..  trans-79.3129.5179.1-66.2-179.1171.200109.9I79 R82 G118 F129I79-E121 HydrophobicContact CD1-CB 4.45Å; R82-E121 IonicContact CZ-OE1 3.88Å; R82-E121 VanDerWaalsContact CZ-OE1 3.24Å; R82-E121 IonicContact CZ-OE2 2.7Å; R82-E121 IonicContact NH1-OE1 2.69Å; R82-E121 PolarHBondContact NH1-OE1 3.47Å; R82-E121 IonicContact NH1-OE2 3.41Å; R82-E121 PolarHBondContact NH1-OE2 3.41Å; R82-E121 IonicContact NH2-OE1 3.24Å; R82-E121 PolarHBondContact NH2-OE1 3.17Å; R82-E121 IonicContact NH2-OE2 3.11Å; R82-E121 PolarHBondContact NH2-OE2 2.91Å; G118-E121 WeakPolarHBondContact O-CB 3.47Å; G118-E121 PolarHBondContact O-N 3.24Å; E121-F129 HydrophobicContact CB-CD2 4.19Å; E121-F129 HydrophobicContact CB-CE2 4.2Å; E121-F129 VanDerWaalsContact OE2-CE2 3.3Å; E121-F129 WeakPolarHBondContact OE2-CE2 3.39Å
122V78.5Confident85.1Confident72 Ų7248.8 Ų48.844%0.43623%0.232SC..  trans-110.9130-177.8-179.20000108.2E126 F127V122-E126 WeakPolarHBondContact CA-O 3.47Å; V122-F127 HydrophobicContact CG2-CD1 3.68Å; V122-F127 HydrophobicContact CG2-CE1 3.43Å; V122-F127 VanDerWaalsContact CG2-CE1 3.43Å; V122-F127 HydrophobicContact CG2-CG 4.48Å; V122-F127 HydrophobicContact CG2-CZ 4.07Å
123Q77.1Confident84.6Confident51 Ų5149.9 Ų49.924%0.23824%0.237CC..BIsolated β-bridgetrans-129125.4171.4-167.6-17725.300107.9D125 E126 V128Q123-D125 VanDerWaalsContact C-N 3.29Å; Q123-D125 PolarHBondContact O-N 2.7Å; Q123-E126 PolarHBondContact N-O 2.85Å; Q123-E126 PolarHBondContact O-N 3.3Å; Q123-E126 VanDerWaalsContact O-N 3.16Å; Q123-V128 HydrophobicContact CB-CG1 3.92Å; Q123-V128 HydrophobicContact CB-CG2 4.15Å
124K79.3Confident84.4Confident187 Ų18750.6 Ų50.681%0.81325%0.251SS*.THydrogen-bonded Turntrans51.946.1-176-58.4174.8-179.2174.60112.7E126K124-E126 PolarHBondContact O-N 2.9Å; K124-E126 VanDerWaalsContact O-N 3.16Å
125D75.4Confident84.3Confident161 Ų16152 Ų5286%0.86126%0.259SS*.THydrogen-bonded Turntrans65.18179.9-55.8-42.5000116.4Q123Q123-D125 VanDerWaalsContact C-N 3.29Å; Q123-D125 PolarHBondContact O-N 2.7Å
126E79.2Confident84.1Confident113 Ų11352.1 Ų52.153%0.52826%0.259SS..BIsolated β-bridgetrans-114.6144177.4-68178.2166.200112.2V122 Q123 K124 V128V122-E126 WeakPolarHBondContact CA-O 3.47Å; Q123-E126 PolarHBondContact N-O 2.85Å; Q123-E126 PolarHBondContact O-N 3.3Å; Q123-E126 VanDerWaalsContact O-N 3.16Å; K124-E126 PolarHBondContact O-N 2.9Å; K124-E126 VanDerWaalsContact O-N 3.16Å; E126-V128 PolarHBondContact O-N 3.21Å
127F83.1Confident84Confident86 Ų8656.3 Ų56.338%0.37728%0.277SS..  trans-79.572.6172.2-67.2-74.2000110.4V122 F129 R130V122-F127 HydrophobicContact CG2-CD1 3.68Å; V122-F127 HydrophobicContact CG2-CE1 3.43Å; V122-F127 VanDerWaalsContact CG2-CE1 3.43Å; V122-F127 HydrophobicContact CG2-CG 4.48Å; V122-F127 HydrophobicContact CG2-CZ 4.07Å; F127-F129 PolarHBondContact O-N 3.07Å; F127-R130 HydrophobicContact CB-CB 4.04Å; F127-R130 HydrophobicContact CB-CG 3.77Å; F127-R130 WeakPolarHBondContact O-CB 3.2Å; F127-R130 PolarHBondContact O-N 3.34Å
128V83.3Confident84.1Confident17 Ų1761.4 Ų61.410%0.10330%0.298CS..G310 helixtrans-48.5-38.7-173.1-71.30000114.5I83 R86 Q123 E126 R130 E131I83-V128 HydrophobicContact CD1-CB 4.28Å; I83-V128 HydrophobicContact CD1-CG2 3.78Å; I83-V128 HydrophobicContact CG1-CG2 4.37Å; R86-V128 PolarHBondContact NH1-O 3.02Å; Q123-V128 HydrophobicContact CB-CG1 3.92Å; Q123-V128 HydrophobicContact CB-CG2 4.15Å; E126-V128 PolarHBondContact O-N 3.21Å; V128-R130 VanDerWaalsContact C-N 3.35Å; V128-R130 PolarHBondContact O-N 3.45Å; V128-E131 PolarHBondContact O-N 2.88Å
129F87.3Confident84.1Confident1 Ų162.3 Ų62.30%0.00430%0.303CS..G310 helixtrans-73.8-22179-68-81.1000114I79 R82 I83 G118 E121 F127 E131I79-F129 HydrophobicContact CG2-CE2 4.26Å; R82-F129 HydrophobicContact CB-CE1 4.37Å; R82-F129 HydrophobicContact CB-CZ 3.96Å; I83-F129 HydrophobicContact CG1-CE1 4.22Å; I83-F129 HydrophobicContact CG1-CE2 4.25Å; I83-F129 HydrophobicContact CG1-CZ 3.76Å; G118-F129 VanDerWaalsContact O-CD2 3.27Å; G118-F129 WeakPolarHBondContact O-CD2 3.4Å; E121-F129 HydrophobicContact CB-CD2 4.19Å; E121-F129 HydrophobicContact CB-CE2 4.2Å; E121-F129 VanDerWaalsContact OE2-CE2 3.3Å; E121-F129 WeakPolarHBondContact OE2-CE2 3.39Å; F127-F129 PolarHBondContact O-N 3.07Å; F129-E131 VanDerWaalsContact C-N 3.3Å
130R87.2Confident83.9Confident49 Ų4963.7 Ų63.719%0.18531%0.31CS..G310 helixtrans-76-19.1177.9-62.2-174.4-173.4-167.8-5.9112.9W119 F127 V128 I132 S179W119-R130 HydrophobicContact CD2-CG 4.15Å; W119-R130 HydrophobicContact CE3-CG 3.95Å; W119-R130 HydrophobicContact CH2-CB 4.4Å; W119-R130 HydrophobicContact CH2-CG 3.91Å; W119-R130 HydrophobicContact CZ2-CG 4.09Å; W119-R130 HydrophobicContact CZ3-CB 4.38Å; W119-R130 HydrophobicContact CZ3-CG 3.86Å; W119-R130 PolarHBondContact O-NE 2.97Å; W119-R130 PolarHBondContact O-NH2 3.13Å; F127-R130 HydrophobicContact CB-CB 4.04Å; F127-R130 HydrophobicContact CB-CG 3.77Å; F127-R130 WeakPolarHBondContact O-CB 3.2Å; F127-R130 PolarHBondContact O-N 3.34Å; V128-R130 VanDerWaalsContact C-N 3.35Å; V128-R130 PolarHBondContact O-N 3.45Å; R130-I132 PolarHBondContact O-N 3.32Å; R130-S179 PolarHBondContact NH2-OG 3.36Å
131E84.8Confident84Confident94 Ų9468.4 Ų68.444%0.43933%0.333SS..G310 helixtrans-63.7-10.4177.7-62.1-162.1135.500113.9V128 F129 I133 A134 D135V128-E131 PolarHBondContact O-N 2.88Å; F129-E131 VanDerWaalsContact C-N 3.3Å; E131-I133 PolarHBondContact O-N 3.39Å; E131-A134 WeakPolarHBondContact O-CA 3.41Å; E131-A134 WeakPolarHBondContact O-CB 3.45Å; E131-A134 PolarHBondContact O-N 2.94Å; E131-D135 PolarHBondContact O-N 3.5Å; E131-D135 VanDerWaalsContact O-N 3.12Å
132I84.4Confident84Confident1 Ų168.6 Ų68.61%0.00535%0.346CS..Hα-helixtrans-51.8-33.7179.7-169.2166.1000112.9R86 I111 T115 R130 A134 D135 V136 I153 L157R86-I132 VanDerWaalsContact NH2-CA 3.33Å; R86-I132 VanDerWaalsContact NH2-N 3.16Å; I111-I132 HydrophobicContact CG2-CD1 3.31Å; T115-I132 HydrophobicContact CG2-CD1 4.46Å; T115-I132 HydrophobicContact CG2-CG2 3.88Å; T115-I132 WeakPolarHBondContact OG1-CD1 3.24Å; R130-I132 PolarHBondContact O-N 3.32Å; I132-A134 VanDerWaalsContact C-N 3.31Å; I132-A134 PolarHBondContact O-N 3.39Å; I132-D135 PolarHBondContact O-N 3.42Å; I132-V136 HydrophobicContact CG1-CG2 4.12Å; I132-V136 WeakPolarHBondContact O-CB 3.45Å; I132-V136 WeakPolarHBondContact O-CG2 3.43Å; I132-V136 PolarHBondContact O-N 3.42Å; I132-I153 HydrophobicContact CD1-CG2 4.15Å; I132-I153 HydrophobicContact CG1-CG2 4.5Å; I132-L157 HydrophobicContact CG2-CD2 3.86Å
133I83.4Confident84.4Confident24 Ų2468.6 Ų68.612%0.12335%0.346CS..Hα-helixtrans-66.9-36.7178.8-60.2173.2000110.8E131 K137 S184 I188E131-I133 PolarHBondContact O-N 3.39Å; I133-K137 WeakPolarHBondContact O-CG 3.42Å; I133-K137 PolarHBondContact O-N 2.89Å; I133-K137 VanDerWaalsContact O-N 3.08Å; I133-S184 WeakPolarHBondContact CD1-OG 3.29Å; I133-I188 HydrophobicContact CD1-CD1 4.37Å
134A86.8Confident84.7Confident57 Ų5769.2 Ų69.247%0.47135%0.353SS..Hα-helixtrans-69.2-38.1175.200000111.5E131 I132 K137E131-A134 WeakPolarHBondContact O-CA 3.41Å; E131-A134 WeakPolarHBondContact O-CB 3.45Å; E131-A134 PolarHBondContact O-N 2.94Å; I132-A134 VanDerWaalsContact C-N 3.31Å; I132-A134 PolarHBondContact O-N 3.39Å; A134-K137 PolarHBondContact O-N 3.31Å
135D86.5Confident85.1Confident30 Ų3063.4 Ų63.416%0.1633%0.329CS..Hα-helixtrans-66.4-44.6174.5-68.4-37.5000112R86 E131 I132 K137 K138R86-D135 IonicContact CZ-OD2 3.14Å; R86-D135 IonicContact NH2-OD2 2.69Å; R86-D135 PolarHBondContact NH2-OD2 2.93Å; E131-D135 PolarHBondContact O-N 3.5Å; E131-D135 VanDerWaalsContact O-N 3.12Å; I132-D135 PolarHBondContact O-N 3.42Å; D135-K137 VanDerWaalsContact C-N 3.27Å; D135-K137 PolarHBondContact O-N 3.12Å; D135-K138 VanDerWaalsContact O-CB 3.24Å; D135-K138 WeakPolarHBondContact O-CB 3.45Å; D135-K138 PolarHBondContact O-N 3.43Å; D135-K138 IonicContact OD1-NZ 2.84Å; D135-K138 PolarHBondContact OD1-NZ 2.95Å
136V88Confident85.7Confident1 Ų157.8 Ų57.81%0.00630%0.298CS..Hα-helixtrans-63.2-33.7178.11750000111.6I132 K138 F139 L140 G150 I153 L154I132-V136 HydrophobicContact CG1-CG2 4.12Å; I132-V136 WeakPolarHBondContact O-CB 3.45Å; I132-V136 WeakPolarHBondContact O-CG2 3.43Å; I132-V136 PolarHBondContact O-N 3.42Å; V136-K138 PolarHBondContact O-N 2.93Å; V136-K138 VanDerWaalsContact O-N 3.16Å; V136-F139 WeakPolarHBondContact O-CB 3.2Å; V136-F139 PolarHBondContact O-N 3.47Å; V136-L140 WeakPolarHBondContact O-CG 3.38Å; V136-L140 PolarHBondContact O-N 3.21Å; V136-G150 VanDerWaalsContact CG1-O 3.25Å; V136-G150 WeakPolarHBondContact CG1-O 3.32Å; V136-I153 HydrophobicContact CG2-CB 4.02Å; V136-I153 HydrophobicContact CG2-CD1 4.28Å; V136-I153 HydrophobicContact CG2-CG2 3.48Å; V136-I153 VanDerWaalsContact CG2-CG2 3.48Å; V136-L154 HydrophobicContact CB-CD2 4.16Å; V136-L154 HydrophobicContact CG1-CD1 4.03Å; V136-L154 HydrophobicContact CG1-CD2 3.8Å; V136-L154 HydrophobicContact CG1-CG 3.71Å; V136-L154 HydrophobicContact CG2-CD2 4.35Å
137K87.6Confident86.2Confident101 Ų10153 Ų5344%0.43928%0.276SS..Hα-helixtrans-57.2-28.8172-78.5175.4-178.2178.80113.1I133 A134 D135 L140 Q141I133-K137 WeakPolarHBondContact O-CG 3.42Å; I133-K137 PolarHBondContact O-N 2.89Å; I133-K137 VanDerWaalsContact O-N 3.08Å; A134-K137 PolarHBondContact O-N 3.31Å; D135-K137 VanDerWaalsContact C-N 3.27Å; D135-K137 PolarHBondContact O-N 3.12Å; K137-L140 PolarHBondContact O-N 3.13Å; K137-Q141 WeakPolarHBondContact O-CG 3.13Å; K137-Q141 PolarHBondContact O-N 3.34Å
138K89.1Confident86.5Confident132 Ų13249.7 Ų49.757%0.57426%0.262SS*.Hα-helixtrans-69.3-39.3174.5-56.3168-173.51570111.4D135 V136 L140 Q141D135-K138 VanDerWaalsContact O-CB 3.24Å; D135-K138 WeakPolarHBondContact O-CB 3.45Å; D135-K138 PolarHBondContact O-N 3.43Å; D135-K138 IonicContact OD1-NZ 2.84Å; D135-K138 PolarHBondContact OD1-NZ 2.95Å; V136-K138 PolarHBondContact O-N 2.93Å; V136-K138 VanDerWaalsContact O-N 3.16Å; K138-L140 VanDerWaalsContact C-N 3.28Å; K138-L140 PolarHBondContact O-N 3.07Å; K138-Q141 PolarHBondContact O-N 3.4Å; K138-Q141 VanDerWaalsContact O-N 3.16Å
139F88.1Confident86.9Confident20 Ų2049 Ų499%0.08826%0.258CS..Hα-helixtrans-60.5-39.2173.8-76.2-98.2000111.9L90 A94 V136 Q141 G142 H146 C147 I149 I153L90-F139 HydrophobicContact CD2-CE2 4.2Å; L90-F139 HydrophobicContact CD2-CZ 4.39Å; A94-F139 HydrophobicContact CB-CE1 3.62Å; A94-F139 HydrophobicContact CB-CZ 3.65Å; V136-F139 WeakPolarHBondContact O-CB 3.2Å; V136-F139 PolarHBondContact O-N 3.47Å; F139-Q141 PolarHBondContact O-N 2.96Å; F139-G142 PolarHBondContact O-N 2.91Å; F139-H146 HydrophobicContact CD1-CB 4.45Å; F139-H146 CarbonylContact O-C 3.48Å; F139-C147 PolarHBondContact O-N 3.24Å; F139-I149 HydrophobicContact CD1-CB 4.41Å; F139-I149 HydrophobicContact CD1-CG2 3.93Å; F139-I149 HydrophobicContact CE1-CG2 3.83Å; F139-I153 HydrophobicContact CE2-CD1 4.49Å; F139-I153 HydrophobicContact CZ-CD1 4.45Å
140L85.3Confident87.2Confident29 Ų2949 Ų4915%0.15226%0.258CS..THydrogen-bonded Turntrans-68-17.3179.1-59177.8000113.7V136 K137 K138 V151 L191 L195V136-L140 WeakPolarHBondContact O-CG 3.38Å; V136-L140 PolarHBondContact O-N 3.21Å; K137-L140 PolarHBondContact O-N 3.13Å; K138-L140 VanDerWaalsContact C-N 3.28Å; K138-L140 PolarHBondContact O-N 3.07Å; L140-V151 HydrophobicContact CD2-CG2 3.94Å; L140-L191 HydrophobicContact CD1-CD1 4.03Å; L140-L191 HydrophobicContact CD1-CD2 3.47Å; L140-L191 VanDerWaalsContact CD1-CD2 3.47Å; L140-L191 HydrophobicContact CD1-CG 3.94Å; L140-L195 HydrophobicContact CD1-CD1 4.48Å; L140-L195 HydrophobicContact CD2-CD1 4.17Å
141Q85.7Confident87.5Confident169 Ų16946.7 Ų46.779%0.7925%0.249SC*.THydrogen-bonded Turntrans-90.3-5.2174.1-65.61733.100112.9K137 K138 F139K137-Q141 WeakPolarHBondContact O-CG 3.13Å; K137-Q141 PolarHBondContact O-N 3.34Å; K138-Q141 PolarHBondContact O-N 3.4Å; K138-Q141 VanDerWaalsContact O-N 3.16Å; F139-Q141 PolarHBondContact O-N 2.96Å
142G84.5Confident87.9Confident46 Ų4643 Ų4347%0.47423%0.232SC..SBendtrans-84.4-155-178.200000114.3F139F139-G142 PolarHBondContact O-N 2.91Å
143T86Confident88.3Confident71 Ų7143 Ų4344%0.43623%0.233SC..  trans-68.8169.3173.2740000111.2E145 H146 C147T143-E145 PolarHBondContact O-N 3.38Å; T143-H146 PolarHBondContact O-N 3.43Å; T143-H146 VanDerWaalsContact O-N 3.08Å; T143-H146 PolarHBondContact OG1-N 3.27Å; T143-H146 PolarHBondContact OG1-ND1 3.35Å; T143-C147 PolarHBondContact O-N 2.97Å
144V84.3Confident88.9Confident64 Ų6442 Ų4239%0.38823%0.228SC..Hα-helixtrans-55.9-41.2176.2-179.10000111.3H146 C147 I148 D210 L214V144-H146 PolarHBondContact O-N 2.99Å; V144-C147 WeakPolarHBondContact O-CB 3.46Å; V144-C147 PolarHBondContact O-N 2.87Å; V144-C147 VanDerWaalsContact O-N 3.16Å; V144-I148 HydrophobicContact CG1-CD1 4.17Å; V144-I148 WeakPolarHBondContact O-CG1 3.5Å; V144-I148 PolarHBondContact O-N 3.27Å; V144-D210 HydrophobicContact CG1-CB 3.89Å; V144-L214 HydrophobicContact CG1-CD2 4.36Å
145E86.6Confident89.3Confident65 Ų6539.4 Ų39.430%0.30421%0.206SC..Hα-helixtrans-59.8-43.9175.8-58.1164145.300111.9P97 T143 C147 I148 I149P97-E145 HydrophobicContact CB-CB 3.99Å; T143-E145 PolarHBondContact O-N 3.38Å; E145-C147 VanDerWaalsContact C-N 3.33Å; E145-I148 PolarHBondContact O-N 2.94Å; E145-I149 WeakPolarHBondContact O-CG1 3.36Å; E145-I149 PolarHBondContact O-N 3.37Å; E145-I149 VanDerWaalsContact O-N 3.07Å
146H89.3Confident89.7Confident44 Ų4439.1 Ų39.120%0.20420%0.203CC..Hα-helixtrans-66-38.2175.4-66.784.4000111.5A94 F139 T143 V144 I149 G150A94-H146 PolarHBondContact O-NE2 3.1Å; A94-H146 VanDerWaalsContact O-NE2 3.09Å; F139-H146 HydrophobicContact CD1-CB 4.45Å; F139-H146 CarbonylContact O-C 3.48Å; T143-H146 PolarHBondContact O-N 3.43Å; T143-H146 VanDerWaalsContact O-N 3.08Å; T143-H146 PolarHBondContact OG1-N 3.27Å; T143-H146 PolarHBondContact OG1-ND1 3.35Å; V144-H146 PolarHBondContact O-N 2.99Å; H146-I149 PolarHBondContact O-N 2.89Å; H146-G150 PolarHBondContact O-N 2.81Å
147C89.4Confident90Very high11 Ų1139 Ų397%0.07420%0.203CC..Hα-helixtrans-61.6-45.5175.8-165.80000110.9F139 T143 V144 E145 I149 G150 V151 L214F139-C147 PolarHBondContact O-N 3.24Å; T143-C147 PolarHBondContact O-N 2.97Å; V144-C147 WeakPolarHBondContact O-CB 3.46Å; V144-C147 PolarHBondContact O-N 2.87Å; V144-C147 VanDerWaalsContact O-N 3.16Å; E145-C147 VanDerWaalsContact C-N 3.33Å; C147-I149 PolarHBondContact O-N 3.47Å; C147-G150 PolarHBondContact O-N 3.44Å; C147-V151 VanDerWaalsContact O-CG2 3.3Å; C147-V151 WeakPolarHBondContact O-CG2 3.45Å; C147-V151 PolarHBondContact O-N 2.98Å; C147-L214 HydrophobicContact CB-CD1 4.2Å
148I89.7Confident90.3Very high17 Ų1734.2 Ų34.29%0.08718%0.182CC..Hα-helixtrans-56-50.4175-69.7165.7000110.3V144 E145 G150 V151 I152 L214 Q217V144-I148 HydrophobicContact CG1-CD1 4.17Å; V144-I148 WeakPolarHBondContact O-CG1 3.5Å; V144-I148 PolarHBondContact O-N 3.27Å; E145-I148 PolarHBondContact O-N 2.94Å; I148-G150 VanDerWaalsContact C-N 3.33Å; I148-G150 PolarHBondContact O-N 3.31Å; I148-V151 PolarHBondContact O-N 3.4Å; I148-I152 HydrophobicContact CG2-CD1 3.75Å; I148-I152 HydrophobicContact CG2-CG1 4.41Å; I148-I152 VanDerWaalsContact O-CG1 3.29Å; I148-I152 WeakPolarHBondContact O-CG1 3.4Å; I148-I152 PolarHBondContact O-N 3.08Å; I148-L214 HydrophobicContact CD1-CB 4.44Å; I148-L214 HydrophobicContact CG1-CB 3.9Å; I148-L214 HydrophobicContact CG1-CD1 4.02Å; I148-Q217 HydrophobicContact CG2-CG 4.28Å
149I91.2Very high90.5Very high4 Ų431.6 Ų31.62%0.02117%0.172CC..Hα-helixtrans-58.1-46.7177.5-70163.9000110.8V93 P97 I104 F139 E145 H146 C147 V151 I152 I153V93-I149 HydrophobicContact CG1-CD1 4.09Å; V93-I149 HydrophobicContact CG1-CG1 4.32Å; V93-I149 HydrophobicContact CG1-CG2 3.55Å; P97-I149 HydrophobicContact CB-CD1 3.89Å; I104-I149 HydrophobicContact CG2-CG1 4.45Å; F139-I149 HydrophobicContact CD1-CB 4.41Å; F139-I149 HydrophobicContact CD1-CG2 3.93Å; F139-I149 HydrophobicContact CE1-CG2 3.83Å; E145-I149 WeakPolarHBondContact O-CG1 3.36Å; E145-I149 PolarHBondContact O-N 3.37Å; E145-I149 VanDerWaalsContact O-N 3.07Å; H146-I149 PolarHBondContact O-N 2.89Å; C147-I149 PolarHBondContact O-N 3.47Å; I149-V151 VanDerWaalsContact C-N 3.31Å; I149-V151 PolarHBondContact O-N 2.88Å; I149-I152 PolarHBondContact O-N 2.83Å; I149-I153 HydrophobicContact CG2-CD1 4.02Å; I149-I153 WeakPolarHBondContact O-CG1 3.35Å; I149-I153 PolarHBondContact O-N 2.85Å
150G93.4Very high90.7Very high0 Ų031.5 Ų31.50%017%0.172CC..Hα-helixtrans-57.5-42.9177.300000112.5V136 H146 C147 I148 I153 L154V136-G150 VanDerWaalsContact CG1-O 3.25Å; V136-G150 WeakPolarHBondContact CG1-O 3.32Å; H146-G150 PolarHBondContact O-N 2.81Å; C147-G150 PolarHBondContact O-N 3.44Å; I148-G150 VanDerWaalsContact C-N 3.33Å; I148-G150 PolarHBondContact O-N 3.31Å; G150-I153 PolarHBondContact O-N 3.5Å; G150-L154 PolarHBondContact O-N 3.42Å; G150-L154 VanDerWaalsContact O-N 3.17Å
151V93Very high90.9Very high0 Ų030.1 Ų30.10%017%0.165CC..Hα-helixtrans-67.5-40.7177.21760000111.7L140 C147 I148 I149 I153 L154 C155 L195 L214 Q217 V218 L221L140-V151 HydrophobicContact CD2-CG2 3.94Å; C147-V151 VanDerWaalsContact O-CG2 3.3Å; C147-V151 WeakPolarHBondContact O-CG2 3.45Å; C147-V151 PolarHBondContact O-N 2.98Å; I148-V151 PolarHBondContact O-N 3.4Å; I149-V151 VanDerWaalsContact C-N 3.31Å; I149-V151 PolarHBondContact O-N 2.88Å; V151-I153 VanDerWaalsContact C-N 3.31Å; V151-I153 PolarHBondContact O-N 3.41Å; V151-L154 PolarHBondContact O-N 3.04Å; V151-C155 WeakPolarHBondContact O-CB 3.36Å; V151-C155 PolarHBondContact O-N 3.01Å; V151-L195 HydrophobicContact CG2-CD1 4.08Å; V151-L214 HydrophobicContact CG2-CD1 4.22Å; V151-Q217 HydrophobicContact CB-CB 4.31Å; V151-Q217 HydrophobicContact CG1-CB 3.68Å; V151-Q217 WeakPolarHBondContact CG1-O 3.39Å; V151-V218 HydrophobicContact CB-CG2 4.45Å; V151-V218 HydrophobicContact CG1-CB 4.41Å; V151-V218 HydrophobicContact CG1-CG2 3.87Å; V151-V218 HydrophobicContact CG2-CG2 3.78Å; V151-L221 HydrophobicContact CG1-CB 4.12Å; V151-L221 HydrophobicContact CG1-CD2 4.04Å
152I93.2Very high91Very high16 Ų1624.1 Ų24.18%0.08214%0.138CC..Hα-helixtrans-61.4-41.8175.2-63.6165.8000110.1I108 I148 I149 L154 C155 E156 Q217I108-I152 HydrophobicContact CD1-CB 3.84Å; I108-I152 HydrophobicContact CD1-CG2 3.45Å; I108-I152 VanDerWaalsContact CD1-CG2 3.45Å; I108-I152 HydrophobicContact CG2-CG2 4.33Å; I148-I152 HydrophobicContact CG2-CD1 3.75Å; I148-I152 HydrophobicContact CG2-CG1 4.41Å; I148-I152 VanDerWaalsContact O-CG1 3.29Å; I148-I152 WeakPolarHBondContact O-CG1 3.4Å; I148-I152 PolarHBondContact O-N 3.08Å; I149-I152 PolarHBondContact O-N 2.83Å; I152-L154 PolarHBondContact O-N 3.37Å; I152-C155 PolarHBondContact O-N 3.29Å; I152-E156 HydrophobicContact CG2-CG 4.14Å; I152-E156 WeakPolarHBondContact O-CB 3.48Å; I152-E156 WeakPolarHBondContact O-CG 3.24Å; I152-E156 PolarHBondContact O-N 3.15Å; I152-Q217 HydrophobicContact CD1-CG 4.33Å; I152-Q217 HydrophobicContact CG1-CB 4.45Å; I152-Q217 HydrophobicContact CG1-CG 3.89Å
153I94.3Very high91Very high3 Ų326.5 Ų26.52%0.01514%0.139CC..Hα-helixtrans-57.3-47.3175.3-65.7164.5000111.2L90 I108 I132 V136 F139 I149 G150 V151 C155 L157L90-I153 HydrophobicContact CD2-CD1 3.98Å; I108-I153 HydrophobicContact CD1-CG1 3.78Å; I108-I153 HydrophobicContact CG1-CG1 3.77Å; I108-I153 HydrophobicContact CG2-CB 4.33Å; I108-I153 HydrophobicContact CG2-CG1 4Å; I132-I153 HydrophobicContact CD1-CG2 4.15Å; I132-I153 HydrophobicContact CG1-CG2 4.5Å; V136-I153 HydrophobicContact CG2-CB 4.02Å; V136-I153 HydrophobicContact CG2-CD1 4.28Å; V136-I153 HydrophobicContact CG2-CG2 3.48Å; V136-I153 VanDerWaalsContact CG2-CG2 3.48Å; F139-I153 HydrophobicContact CE2-CD1 4.49Å; F139-I153 HydrophobicContact CZ-CD1 4.45Å; I149-I153 HydrophobicContact CG2-CD1 4.02Å; I149-I153 WeakPolarHBondContact O-CG1 3.35Å; I149-I153 PolarHBondContact O-N 2.85Å; G150-I153 PolarHBondContact O-N 3.5Å; V151-I153 VanDerWaalsContact C-N 3.31Å; V151-I153 PolarHBondContact O-N 3.41Å; I153-C155 VanDerWaalsContact C-N 3.32Å; I153-C155 PolarHBondContact O-N 2.97Å; I153-L157 WeakPolarHBondContact O-CB 3.23Å; I153-L157 PolarHBondContact O-N 3.32Å
154L95Very high90.4Very high3 Ų325.4 Ų25.42%0.01613%0.132CC..Hα-helixtrans-65.7-36.8178.3-62.3177.5000112.3V136 G150 V151 I152 T158 I188 L191 L221V136-L154 HydrophobicContact CB-CD2 4.16Å; V136-L154 HydrophobicContact CG1-CD1 4.03Å; V136-L154 HydrophobicContact CG1-CD2 3.8Å; V136-L154 HydrophobicContact CG1-CG 3.71Å; V136-L154 HydrophobicContact CG2-CD2 4.35Å; G150-L154 PolarHBondContact O-N 3.42Å; G150-L154 VanDerWaalsContact O-N 3.17Å; V151-L154 PolarHBondContact O-N 3.04Å; I152-L154 PolarHBondContact O-N 3.37Å; L154-T158 WeakPolarHBondContact O-CB 3.41Å; L154-T158 PolarHBondContact O-N 2.65Å; L154-T158 PolarHBondContact O-OG1 3.38Å; L154-I188 HydrophobicContact CB-CG2 4.18Å; L154-I188 HydrophobicContact CD1-CG2 4.32Å; L154-I188 HydrophobicContact CD2-CD1 4.3Å; L154-I188 HydrophobicContact CD2-CG1 4.29Å; L154-L191 HydrophobicContact CD1-CD2 4.1Å; L154-L221 HydrophobicContact CB-CD1 3.7Å; L154-L221 HydrophobicContact CB-CD2 3.82Å; L154-L221 HydrophobicContact CB-CG 4.44Å; L154-L221 HydrophobicContact CD1-CD2 4.01Å
155C95.1Very high89.6Confident2 Ų224.9 Ų24.91%0.01413%0.127CC..Hα-helixtrans-66.8-52.4-178.6-171.50000110.2V151 I152 I153 L157 T158 Q159 L221 S224V151-C155 WeakPolarHBondContact O-CB 3.36Å; V151-C155 PolarHBondContact O-N 3.01Å; I152-C155 PolarHBondContact O-N 3.29Å; I153-C155 VanDerWaalsContact C-N 3.32Å; I153-C155 PolarHBondContact O-N 2.97Å; C155-L157 VanDerWaalsContact C-N 3.34Å; C155-L157 PolarHBondContact O-N 2.97Å; C155-T158 PolarHBondContact O-N 3.23Å; C155-Q159 WeakPolarHBondContact O-CG 3.43Å; C155-Q159 PolarHBondContact O-N 3.35Å; C155-Q159 PolarHBondContact SG-NE2 3.05Å; C155-L221 HydrophobicContact CB-CB 4.32Å; C155-L221 HydrophobicContact CB-CD1 4.19Å; C155-S224 PolarHBondContact SG-OG 3.26Å; C155-S224 VanDerWaalsContact SG-OG 3.38Å
156E94.6Very high88.4Confident23 Ų2329.4 Ų29.411%0.10714%0.143CC..Hα-helixtrans-63.5-39.1176.9-69.7-5412700112.3Q105 I108 A112 I152 T158 Q159 E160Q105-E156 PolarHBondContact NE2-OE1 2.93Å; Q105-E156 PolarHBondContact NE2-OE2 3.37Å; I108-E156 HydrophobicContact CG2-CB 3.6Å; I108-E156 HydrophobicContact CG2-CG 3.68Å; A112-E156 HydrophobicContact CB-CB 4.36Å; I152-E156 HydrophobicContact CG2-CG 4.14Å; I152-E156 WeakPolarHBondContact O-CB 3.48Å; I152-E156 WeakPolarHBondContact O-CG 3.24Å; I152-E156 PolarHBondContact O-N 3.15Å; E156-T158 VanDerWaalsContact C-N 3.33Å; E156-T158 PolarHBondContact O-N 3.08Å; E156-Q159 PolarHBondContact O-N 3.27Å; E156-E160 WeakPolarHBondContact O-CB 3.16Å; E156-E160 PolarHBondContact O-N 3.04Å
157L94.6Very high86.8Confident0 Ų031.9 Ų31.90%017%0.165CC..Hα-helixtrans-60.6-44.7174-179.662.7000111.2T115 I132 I153 C155 M161 F180T115-L157 HydrophobicContact CG2-CD1 3.58Å; T115-L157 HydrophobicContact CG2-CD2 4.48Å; I132-L157 HydrophobicContact CG2-CD2 3.86Å; I153-L157 WeakPolarHBondContact O-CB 3.23Å; I153-L157 PolarHBondContact O-N 3.32Å; C155-L157 VanDerWaalsContact C-N 3.34Å; C155-L157 PolarHBondContact O-N 2.97Å; L157-M161 HydrophobicContact CD1-CE 3.66Å; L157-M161 HydrophobicContact CD1-CG 4.1Å; L157-M161 HydrophobicContact CG-CG 4.41Å; L157-M161 VanDerWaalsContact O-CB 3.29Å; L157-M161 WeakPolarHBondContact O-CB 2.86Å; L157-M161 WeakPolarHBondContact O-CG 3.49Å; L157-M161 PolarHBondContact O-N 2.91Å; L157-F180 HydrophobicContact CD2-CE2 4.11Å; L157-F180 HydrophobicContact CG-CE2 4.14Å; L157-F180 HydrophobicContact CG-CZ 4.32Å
158T94.5Very high85.4Confident0 Ų034.7 Ų34.70%017%0.174CC..Hα-helixtrans-63.6-44.5179.1-58.80000111.3L154 C155 E156 N162 F180 L185 F228L154-T158 WeakPolarHBondContact O-CB 3.41Å; L154-T158 PolarHBondContact O-N 2.65Å; L154-T158 PolarHBondContact O-OG1 3.38Å; C155-T158 PolarHBondContact O-N 3.23Å; E156-T158 VanDerWaalsContact C-N 3.33Å; E156-T158 PolarHBondContact O-N 3.08Å; T158-N162 WeakPolarHBondContact O-CB 3.39Å; T158-N162 PolarHBondContact O-N 3.28Å; T158-F180 HydrophobicContact CG2-CE1 4.42Å; T158-L185 HydrophobicContact CG2-CD1 3.67Å; T158-F228 HydrophobicContact CG2-CD2 4.12Å
159Q92.6Very high84Confident76 Ų7636.7 Ų36.736%0.35519%0.188SC..Hα-helixtrans-65.6-49.1177.4-69.9178.112.600111.4C155 E156 M161 N162 L163 S224C155-Q159 WeakPolarHBondContact O-CG 3.43Å; C155-Q159 PolarHBondContact O-N 3.35Å; C155-Q159 PolarHBondContact SG-NE2 3.05Å; E156-Q159 PolarHBondContact O-N 3.27Å; Q159-M161 VanDerWaalsContact C-N 3.32Å; Q159-M161 PolarHBondContact O-N 3.22Å; Q159-N162 CarbonylContact O-C 3.58Å; Q159-N162 WeakPolarHBondContact O-CA 3.46Å; Q159-N162 WeakPolarHBondContact O-CB 3.41Å; Q159-N162 PolarHBondContact O-N 2.99Å; Q159-L163 WeakPolarHBondContact O-CG 3.45Å; Q159-L163 PolarHBondContact O-N 3.18Å; Q159-S224 PolarHBondContact NE2-OG 2.67Å; Q159-S224 VanDerWaalsContact NE2-OG 3.1Å
160E91.3Very high82.7Confident19 Ų1938.6 Ų38.69%0.08920%0.202CC..Hα-helixtrans-61-40.4179-174.657.4-124.600111.3A112 K113 K116 E156 N162 L163A112-E160 HydrophobicContact CB-CB 3.75Å; A112-E160 HydrophobicContact CB-CG 3.96Å; K113-E160 HydrophobicContact CG-CG 4.05Å; K116-E160 HydrophobicContact CB-CG 4.43Å; K116-E160 HydrophobicContact CD-CG 3.84Å; K116-E160 VanDerWaalsContact CD-O 3.27Å; K116-E160 WeakPolarHBondContact CD-O 3.45Å; K116-E160 WeakPolarHBondContact CD-OE1 3.43Å; K116-E160 VanDerWaalsContact CE-O 3.28Å; K116-E160 WeakPolarHBondContact CE-O 3.33Å; K116-E160 PolarHBondContact NZ-O 3.39Å; K116-E160 IonicContact NZ-OE1 3.62Å; K116-E160 PolarHBondContact NZ-OE1 3.36Å; E156-E160 WeakPolarHBondContact O-CB 3.16Å; E156-E160 PolarHBondContact O-N 3.04Å; E160-N162 PolarHBondContact O-N 2.77Å; E160-L163 PolarHBondContact O-N 2.92Å
161M90Very high81.3Confident0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-62.4-28.3173.7-72.2-68.6-178.600113.1T115 K116 W119 L157 Q159 H173 I176 F180 F228T115-M161 HydrophobicContact CG2-CE 3.89Å; K116-M161 HydrophobicContact CB-CE 4.01Å; K116-M161 HydrophobicContact CB-SD 3.94Å; K116-M161 HydrophobicContact CG-SD 4.08Å; W119-M161 HydrophobicContact CD2-CE 3.8Å; W119-M161 HydrophobicContact CE3-CE 3.27Å; W119-M161 HydrophobicContact CG-CE 4.39Å; W119-M161 HydrophobicContact CZ3-CE 3.69Å; L157-M161 HydrophobicContact CD1-CE 3.66Å; L157-M161 HydrophobicContact CD1-CG 4.1Å; L157-M161 HydrophobicContact CG-CG 4.41Å; L157-M161 VanDerWaalsContact O-CB 3.29Å; L157-M161 WeakPolarHBondContact O-CB 2.86Å; L157-M161 WeakPolarHBondContact O-CG 3.49Å; L157-M161 PolarHBondContact O-N 2.91Å; Q159-M161 VanDerWaalsContact C-N 3.32Å; Q159-M161 PolarHBondContact O-N 3.22Å; M161-H173 PolarHBondContact O-CE1 3.1Å; M161-H173 VanDerWaalsContact O-CE1 3.23Å; M161-I176 HydrophobicContact CE-CG2 4.41Å; M161-I176 HydrophobicContact SD-CG2 3.43Å; M161-I176 WeakPolarHBondContact SD-CG2 3.08Å; M161-F180 HydrophobicContact CB-CD1 3.59Å; M161-F180 HydrophobicContact CB-CE1 3.83Å; M161-F180 HydrophobicContact CB-CG 4.02Å; M161-F180 HydrophobicContact CB-CZ 4.47Å; M161-F180 HydrophobicContact CE-CD2 4.31Å; M161-F180 HydrophobicContact CG-CB 4.33Å; M161-F180 HydrophobicContact CG-CD1 3.79Å; M161-F180 HydrophobicContact CG-CD2 3.93Å; M161-F180 HydrophobicContact CG-CE1 3.98Å; M161-F180 HydrophobicContact CG-CE2 4.15Å; M161-F180 HydrophobicContact CG-CG 3.75Å; M161-F180 HydrophobicContact CG-CZ 4.17Å; M161-F180 HydrophobicContact SD-CB 4.24Å; M161-F180 HydrophobicContact SD-CD2 4.42Å; M161-F180 HydrophobicContact SD-CG 4.24Å; M161-F228 HydrophobicContact CB-CE2 4.08Å
162N88.3Confident80.2Confident43 Ų4343.9 Ų43.923%0.2323%0.226CC..Hα-helixtrans-87-23.6177.7-158.137.8000113.4T158 Q159 E160 V164 N227 F228 D229T158-N162 WeakPolarHBondContact O-CB 3.39Å; T158-N162 PolarHBondContact O-N 3.28Å; Q159-N162 CarbonylContact O-C 3.58Å; Q159-N162 WeakPolarHBondContact O-CA 3.46Å; Q159-N162 WeakPolarHBondContact O-CB 3.41Å; Q159-N162 PolarHBondContact O-N 2.99Å; E160-N162 PolarHBondContact O-N 2.77Å; N162-V164 PolarHBondContact O-N 2.78Å; N162-N227 PolarHBondContact ND2-O 3.34Å; N162-F228 HydrophobicContact CB-CD2 3.77Å; N162-F228 HydrophobicContact CB-CE2 3.74Å; N162-D229 PolarHBondContact OD1-N 3.18Å
163L84.4Confident79.5Confident96 Ų9644.1 Ų44.150%0.50323%0.227SC..SBendtrans-69.7122.5-179-75.5172.1000112K116 Q159 E160 D165 H173K116-L163 PolarHBondContact NZ-O 2.87Å; Q159-L163 WeakPolarHBondContact O-CG 3.45Å; Q159-L163 PolarHBondContact O-N 3.18Å; E160-L163 PolarHBondContact O-N 2.92Å; L163-D165 PolarHBondContact O-N 3.46Å; L163-H173 PolarHBondContact O-CE1 3.25Å; L163-H173 PolarHBondContact O-ND1 3.49Å
164V73.2Confident78.6Confident48 Ų4846.6 Ų46.629%0.29124%0.236SC..  trans-76.3115.4174.2-174.30000109.3N162N162-V164 PolarHBondContact O-N 2.78Å
165D67.4Low77.8Confident52 Ų5250.9 Ų50.928%0.27826%0.255SS..  trans-89.4104.7174-179.1-0.3000109.9L163 S167 R168L163-D165 PolarHBondContact O-N 3.46Å; D165-S167 PolarHBondContact O-N 3.44Å; D165-S167 WeakPolarHBondContact OD1-CB 3.42Å; D165-S167 PolarHBondContact OD1-N 3.09Å; D165-S167 PolarHBondContact OD1-OG 3.44Å; D165-S167 PolarHBondContact OD2-OG 3.2Å; D165-S167 VanDerWaalsContact OD2-OG 3.13Å; D165-R168 PolarHBondContact O-N 3.03Å; D165-R168 WeakPolarHBondContact OD2-CD 3.18Å; D165-R168 IonicContact OD2-NE 3.18Å; D165-R168 PolarHBondContact OD2-NE 3.5Å
166Y61.4Low77.3Confident161 Ų16151.2 Ų51.263%0.63126%0.256SS*.THydrogen-bonded Turntrans-64.8-13.8-179.6-63.4-76.1000114.2R168 L925Y166-R168 PolarHBondContact O-N 3.45Å; Y166-L925 HydrophobicContact CD1-CD1 4.03Å; Y166-L925 HydrophobicContact CE1-CD1 3.99Å
167S56.8Low76.9Confident96 Ų9650.5 Ų50.567%0.67126%0.255SS*.THydrogen-bonded Turntrans-77.5-9.1176.572.30000113.4D165D165-S167 PolarHBondContact O-N 3.44Å; D165-S167 WeakPolarHBondContact OD1-CB 3.42Å; D165-S167 PolarHBondContact OD1-N 3.09Å; D165-S167 PolarHBondContact OD1-OG 3.44Å; D165-S167 PolarHBondContact OD2-OG 3.2Å; D165-S167 VanDerWaalsContact OD2-OG 3.13Å
168R59.4Low76.5Confident69 Ų6953.2 Ų53.226%0.2627%0.271SS..SBendtrans-128.9157.1-173.5-65.6172.7-172-114.5-3.4111T72 D165 Y166 S170T72-R168 PolarHBondContact O-NH2 2.87Å; D165-R168 PolarHBondContact O-N 3.03Å; D165-R168 WeakPolarHBondContact OD2-CD 3.18Å; D165-R168 IonicContact OD2-NE 3.18Å; D165-R168 PolarHBondContact OD2-NE 3.5Å; Y166-R168 PolarHBondContact O-N 3.45Å; R168-S170 PolarHBondContact O-N 3.1Å; R168-S170 VanDerWaalsContact O-N 3.12Å
169P59.2Low76.1Confident60 Ų6054.1 Ų54.139%0.3928%0.277SS..  trans-56.1121.1178.2-24.233.4000111.2A171 K172P169-A171 PolarHBondContact O-N 3.31Å; P169-K172 PolarHBondContact O-N 3.09Å
170S64.2Low76.1Confident43 Ų4350.5 Ų50.530%0.30126%0.26SS..Hα-helixtrans-51.3-31.6-177.8169.50000112.4R168 H173 R174R168-S170 PolarHBondContact O-N 3.1Å; R168-S170 VanDerWaalsContact O-N 3.12Å; S170-H173 WeakPolarHBondContact O-CB 3.29Å; S170-H173 PolarHBondContact O-N 3Å; S170-R174 WeakPolarHBondContact O-CG 3.35Å; S170-R174 PolarHBondContact O-N 3.03Å
171A64.8Low76Confident9 Ų952 Ų527%0.07427%0.265CS..Hα-helixtrans-57.8-46.4173.900000116.5P169 H173 R174 K175 F992 E993P169-A171 PolarHBondContact O-N 3.31Å; A171-H173 VanDerWaalsContact C-N 3.26Å; A171-H173 PolarHBondContact O-N 3.23Å; A171-R174 PolarHBondContact O-N 2.98Å; A171-K175 WeakPolarHBondContact O-CB 3.24Å; A171-K175 PolarHBondContact O-N 2.84Å; A171-F992 HydrophobicContact CB-CB 3.26Å; A171-F992 WeakPolarHBondContact CB-O 3.44Å; A171-E993 HydrophobicContact CB-CG 4.12Å
172K69.6Low75.8Confident102 Ų10256.4 Ų56.444%0.44329%0.289SS..Hα-helixtrans-63.2-42.4179.9-176.4175.5177.6174.90108.6P169 K175 I176P169-K172 PolarHBondContact O-N 3.09Å; K172-K175 PolarHBondContact O-N 3.36Å; K172-I176 HydrophobicContact CG-CD1 3.93Å; K172-I176 WeakPolarHBondContact O-CD1 3.44Å; K172-I176 WeakPolarHBondContact O-CG1 3.49Å; K172-I176 PolarHBondContact O-N 3.16Å
173H78.4Confident75.8Confident22 Ų2257.6 Ų57.610%0.10230%0.298CS..Hα-helixtrans-58.7-52.2172168.869.3000111.8M161 L163 S170 A171 K175 I176 A177M161-H173 PolarHBondContact O-CE1 3.1Å; M161-H173 VanDerWaalsContact O-CE1 3.23Å; L163-H173 PolarHBondContact O-CE1 3.25Å; L163-H173 PolarHBondContact O-ND1 3.49Å; S170-H173 WeakPolarHBondContact O-CB 3.29Å; S170-H173 PolarHBondContact O-N 3Å; A171-H173 VanDerWaalsContact C-N 3.26Å; A171-H173 PolarHBondContact O-N 3.23Å; H173-K175 VanDerWaalsContact C-N 3.3Å; H173-K175 PolarHBondContact O-N 3.42Å; H173-I176 PolarHBondContact O-N 3.25Å; H173-I176 VanDerWaalsContact O-N 3.09Å; H173-A177 WeakPolarHBondContact O-CB 3.41Å; H173-A177 PolarHBondContact O-N 3.47Å
174R75.6Confident76.1Confident55 Ų5553.4 Ų53.421%0.20828%0.276CS..Hα-helixtrans-56.4-41.5177.3-74.3-171.3-64.1168.83.2112.8S170 A171 T178 F992 D994S170-R174 WeakPolarHBondContact O-CG 3.35Å; S170-R174 PolarHBondContact O-N 3.03Å; A171-R174 PolarHBondContact O-N 2.98Å; R174-T178 WeakPolarHBondContact O-CB 3.46Å; R174-T178 PolarHBondContact O-N 3.1Å; R174-T178 PolarHBondContact O-OG1 3.32Å; R174-F992 PolarHBondContact NH2-O 2.65Å; R174-D994 IonicContact CZ-OD2 3.51Å; R174-D994 IonicContact NH1-OD2 2.66Å; R174-D994 PolarHBondContact NH1-OD2 3.3Å
175K78.4Confident77Confident92 Ų9251.1 Ų51.140%0.426%0.263SS..Hα-helixtrans-63-45.2176.5-167.8-172.4176.7175.60111.4F120 A171 K172 H173 S179F120-K175 HydrophobicContact CD2-CD 4.5Å; F120-K175 HydrophobicContact CE2-CB 4.21Å; F120-K175 HydrophobicContact CE2-CD 3.87Å; F120-K175 HydrophobicContact CE2-CG 3.7Å; F120-K175 HydrophobicContact CZ-CD 3.99Å; F120-K175 HydrophobicContact CZ-CG 3.66Å; A171-K175 WeakPolarHBondContact O-CB 3.24Å; A171-K175 PolarHBondContact O-N 2.84Å; K172-K175 PolarHBondContact O-N 3.36Å; H173-K175 VanDerWaalsContact C-N 3.3Å; H173-K175 PolarHBondContact O-N 3.42Å; K175-S179 WeakPolarHBondContact O-CB 3.38Å; K175-S179 PolarHBondContact O-N 3.03Å
176I83.8Confident78.2Confident9 Ų951.6 Ų51.65%0.04626%0.262CS..Hα-helixtrans-62.5-52.6177.1-68.2162.5000110K116 W119 F120 M161 K172 H173 T178 S179 F180K116-I176 HydrophobicContact CG-CG2 4.23Å; K116-I176 WeakPolarHBondContact O-CD1 3.47Å; W119-I176 HydrophobicContact CB-CG1 4.19Å; W119-I176 HydrophobicContact CB-CG2 3.9Å; W119-I176 HydrophobicContact CG-CG2 3.84Å; F120-I176 HydrophobicContact CD2-CG1 3.87Å; F120-I176 HydrophobicContact CE2-CB 4.34Å; F120-I176 HydrophobicContact CE2-CG1 3.69Å; M161-I176 HydrophobicContact CE-CG2 4.41Å; M161-I176 HydrophobicContact SD-CG2 3.43Å; M161-I176 WeakPolarHBondContact SD-CG2 3.08Å; K172-I176 HydrophobicContact CG-CD1 3.93Å; K172-I176 WeakPolarHBondContact O-CD1 3.44Å; K172-I176 WeakPolarHBondContact O-CG1 3.49Å; K172-I176 PolarHBondContact O-N 3.16Å; H173-I176 PolarHBondContact O-N 3.25Å; H173-I176 VanDerWaalsContact O-N 3.09Å; I176-T178 PolarHBondContact O-N 2.91Å; I176-S179 PolarHBondContact O-N 3.22Å; I176-F180 WeakPolarHBondContact O-CB 3.35Å; I176-F180 PolarHBondContact O-N 3.47Å
177A87.3Confident79.7Confident9 Ų948.2 Ų48.27%0.07426%0.255CS..Hα-helixtrans-58.7-44.9-179.700000112H173 F180 R181 F228H173-A177 WeakPolarHBondContact O-CB 3.41Å; H173-A177 PolarHBondContact O-N 3.47Å; A177-F180 PolarHBondContact O-N 2.9Å; A177-R181 VanDerWaalsContact O-CB 3.25Å; A177-R181 WeakPolarHBondContact O-CB 3.15Å; A177-R181 PolarHBondContact O-N 3.41Å; A177-F228 HydrophobicContact CB-CE1 4.31Å; A177-F228 HydrophobicContact CB-CZ 3.95Å
178T85.1Confident81.4Confident56 Ų5643.7 Ų43.734%0.34422%0.223SC..Hα-helixtrans-61.7-46.6176.1-57.70000111.2R174 I176 R181 D182R174-T178 WeakPolarHBondContact O-CB 3.46Å; R174-T178 PolarHBondContact O-N 3.1Å; R174-T178 PolarHBondContact O-OG1 3.32Å; I176-T178 PolarHBondContact O-N 2.91Å; T178-R181 WeakPolarHBondContact O-CB 3.17Å; T178-R181 PolarHBondContact O-N 3.41Å; T178-D182 WeakPolarHBondContact O-CB 3.43Å; T178-D182 VanDerWaalsContact O-CG 3.27Å; T178-D182 PolarHBondContact O-N 2.95Å
179S87.7Confident83.1Confident19 Ų1940.4 Ų40.413%0.13321%0.211CC..Hα-helixtrans-65.7-40.2178.2175.30000112.2W119 R130 K175 I176 D182 T183W119-S179 PolarHBondContact NE1-OG 3.02Å; W119-S179 VanDerWaalsContact NE1-OG 3.1Å; R130-S179 PolarHBondContact NH2-OG 3.36Å; K175-S179 WeakPolarHBondContact O-CB 3.38Å; K175-S179 PolarHBondContact O-N 3.03Å; I176-S179 PolarHBondContact O-N 3.22Å; S179-D182 PolarHBondContact O-N 3.15Å; S179-T183 WeakPolarHBondContact O-CB 3.38Å; S179-T183 VanDerWaalsContact O-CG2 3.29Å; S179-T183 WeakPolarHBondContact O-CG2 3.35Å; S179-T183 PolarHBondContact O-N 3.25Å; S179-T183 PolarHBondContact O-OG1 3.42Å
180F91.6Very high84.7Confident0 Ų040.8 Ų40.80%021%0.212CC..Hα-helixtrans-63.4-45175.2176-106.8000111.8W119 L157 T158 M161 I176 A177 D182 T183 S184 L185 I188 F228W119-F180 HydrophobicContact CH2-CB 4.47Å; W119-F180 AromaticContact CH2-CD2 3.57Å; W119-F180 HydrophobicContact CH2-CD2 3.57Å; W119-F180 HydrophobicContact CH2-CE2 4.37Å; W119-F180 HydrophobicContact CZ2-CB 3.92Å; W119-F180 AromaticContact CZ2-CD2 3.89Å; W119-F180 HydrophobicContact CZ2-CD2 3.89Å; W119-F180 HydrophobicContact CZ2-CG 4.42Å; W119-F180 HydrophobicContact CZ3-CD2 4.09Å; L157-F180 HydrophobicContact CD2-CE2 4.11Å; L157-F180 HydrophobicContact CG-CE2 4.14Å; L157-F180 HydrophobicContact CG-CZ 4.32Å; T158-F180 HydrophobicContact CG2-CE1 4.42Å; M161-F180 HydrophobicContact CB-CD1 3.59Å; M161-F180 HydrophobicContact CB-CE1 3.83Å; M161-F180 HydrophobicContact CB-CG 4.02Å; M161-F180 HydrophobicContact CB-CZ 4.47Å; M161-F180 HydrophobicContact CE-CD2 4.31Å; M161-F180 HydrophobicContact CG-CB 4.33Å; M161-F180 HydrophobicContact CG-CD1 3.79Å; M161-F180 HydrophobicContact CG-CD2 3.93Å; M161-F180 HydrophobicContact CG-CE1 3.98Å; M161-F180 HydrophobicContact CG-CE2 4.15Å; M161-F180 HydrophobicContact CG-CG 3.75Å; M161-F180 HydrophobicContact CG-CZ 4.17Å; M161-F180 HydrophobicContact SD-CB 4.24Å; M161-F180 HydrophobicContact SD-CD2 4.42Å; M161-F180 HydrophobicContact SD-CG 4.24Å; I176-F180 WeakPolarHBondContact O-CB 3.35Å; I176-F180 PolarHBondContact O-N 3.47Å; A177-F180 PolarHBondContact O-N 2.9Å; F180-D182 VanDerWaalsContact C-N 3.32Å; F180-D182 PolarHBondContact O-N 3.33Å; F180-T183 PolarHBondContact O-N 2.9Å; F180-S184 WeakPolarHBondContact O-CB 3.34Å; F180-S184 PolarHBondContact O-N 3.17Å; F180-L185 HydrophobicContact CD1-CB 4.39Å; F180-L185 HydrophobicContact CE1-CB 4.22Å; F180-L185 HydrophobicContact CE1-CD1 3.81Å; F180-L185 HydrophobicContact CE1-CG 4.47Å; F180-L185 HydrophobicContact CZ-CD1 4.32Å; F180-L185 PolarHBondContact O-N 2.73Å; F180-I188 HydrophobicContact CE2-CD1 3.94Å; F180-I188 HydrophobicContact CZ-CD1 3.7Å; F180-F228 AromaticContact CD1-CE2 3.79Å; F180-F228 HydrophobicContact CD1-CE2 3.79Å; F180-F228 AromaticContact CD1-CZ 3.92Å; F180-F228 HydrophobicContact CD1-CZ 3.92Å; F180-F228 AromaticContact CE1-CE2 4Å; F180-F228 HydrophobicContact CE1-CE2 4Å
181R89.4Confident86Confident50 Ų5040.6 Ų40.619%0.18921%0.207CC..Iπ-helixtrans-53.4-48.6173.5-179.9-160.673-166.4-1.1111.8A177 T178 L185 F228 F230 P248A177-R181 VanDerWaalsContact O-CB 3.25Å; A177-R181 WeakPolarHBondContact O-CB 3.15Å; A177-R181 PolarHBondContact O-N 3.41Å; T178-R181 WeakPolarHBondContact O-CB 3.17Å; T178-R181 PolarHBondContact O-N 3.41Å; R181-L185 HydrophobicContact CG-CD2 4.43Å; R181-F228 HydrophobicContact CB-CE1 4.02Å; R181-F230 HydrophobicContact CG-CD1 3.8Å; R181-F230 HydrophobicContact CG-CE1 4.3Å; R181-F230 PolarHBondContact NH1-O 3.48Å; R181-P248 HydrophobicContact CG-CG 4.21Å
182D86.2Confident87.3Confident94 Ų9440.1 Ų40.150%0.50320%0.204SC..Iπ-helixtrans-79.2-29.7-172.4-67-20.5000113.5T178 S179 F180T178-D182 WeakPolarHBondContact O-CB 3.43Å; T178-D182 VanDerWaalsContact O-CG 3.27Å; T178-D182 PolarHBondContact O-N 2.95Å; S179-D182 PolarHBondContact O-N 3.15Å; F180-D182 VanDerWaalsContact C-N 3.32Å; F180-D182 PolarHBondContact O-N 3.33Å
183T87.4Confident88.4Confident67 Ų6735.9 Ų35.941%0.41119%0.187SC..Iπ-helixtrans-98.4-31.3-174.157.90000114.4S179 F180S179-T183 WeakPolarHBondContact O-CB 3.38Å; S179-T183 VanDerWaalsContact O-CG2 3.29Å; S179-T183 WeakPolarHBondContact O-CG2 3.35Å; S179-T183 PolarHBondContact O-N 3.25Å; S179-T183 PolarHBondContact O-OG1 3.42Å; F180-T183 PolarHBondContact O-N 2.9Å
184S90.5Very high89Confident8 Ų836.8 Ų36.86%0.05620%0.195CC..Iπ-helixtrans-132.7-41.3-159.4-65.40000113.5I133 F180 K186 D187 I188I133-S184 WeakPolarHBondContact CD1-OG 3.29Å; F180-S184 WeakPolarHBondContact O-CB 3.34Å; F180-S184 PolarHBondContact O-N 3.17Å; S184-K186 VanDerWaalsContact C-N 3.3Å; S184-K186 PolarHBondContact O-N 2.84Å; S184-D187 PolarHBondContact O-N 3.47Å; S184-D187 VanDerWaalsContact O-N 3.1Å; S184-I188 WeakPolarHBondContact O-CG1 3.09Å; S184-I188 PolarHBondContact O-N 3.5Å; S184-I188 VanDerWaalsContact O-N 3.1Å
185L93.1Very high89.7Confident0 Ų035 Ų350%019%0.19CC..Iπ-helixtrans-62.1-36.2-169.5-174.561.8000113.1T158 F180 R181 D187 I188 L189 C225 F228 F230 W251T158-L185 HydrophobicContact CG2-CD1 3.67Å; F180-L185 HydrophobicContact CD1-CB 4.39Å; F180-L185 HydrophobicContact CE1-CB 4.22Å; F180-L185 HydrophobicContact CE1-CD1 3.81Å; F180-L185 HydrophobicContact CE1-CG 4.47Å; F180-L185 HydrophobicContact CZ-CD1 4.32Å; F180-L185 PolarHBondContact O-N 2.73Å; R181-L185 HydrophobicContact CG-CD2 4.43Å; L185-D187 PolarHBondContact O-N 3.01Å; L185-I188 PolarHBondContact O-N 3.42Å; L185-L189 PolarHBondContact O-N 2.87Å; L185-C225 HydrophobicContact CD1-CB 4.03Å; L185-F228 HydrophobicContact CD2-CB 3.75Å; L185-F228 HydrophobicContact CD2-CD1 3.73Å; L185-F228 HydrophobicContact CD2-CD2 3.9Å; L185-F228 HydrophobicContact CD2-CE1 4.32Å; L185-F228 HydrophobicContact CD2-CE2 4.46Å; L185-F228 HydrophobicContact CD2-CG 3.5Å; L185-F230 HydrophobicContact CD2-CE1 3.93Å; L185-F230 HydrophobicContact CD2-CZ 4.46Å; L185-W251 HydrophobicContact CB-CZ2 4.05Å; L185-W251 HydrophobicContact CD2-CH2 3.87Å; L185-W251 HydrophobicContact CD2-CZ2 3.95Å; L185-W251 HydrophobicContact CG-CH2 3.7Å; L185-W251 HydrophobicContact CG-CZ2 3.71Å
186K92.5Very high90.3Very high63 Ų6330.7 Ų30.727%0.27417%0.171SC..Hα-helixtrans-59.6-46.8175.8-170.7179.8168.3179.30111.5S184 I188 L189 V190 T250 W251 I254S184-K186 VanDerWaalsContact C-N 3.3Å; S184-K186 PolarHBondContact O-N 2.84Å; K186-I188 VanDerWaalsContact C-N 3.32Å; K186-I188 PolarHBondContact O-N 2.88Å; K186-L189 PolarHBondContact O-N 2.95Å; K186-V190 WeakPolarHBondContact O-CG2 3.37Å; K186-V190 PolarHBondContact O-N 3.49Å; K186-T250 WeakPolarHBondContact CE-O 3.38Å; K186-T250 PolarHBondContact NZ-O 3.49Å; K186-W251 HydrophobicContact CB-CZ2 4.12Å; K186-W251 HydrophobicContact CG-CD2 4.47Å; K186-W251 HydrophobicContact CG-CG 4.28Å; K186-I254 HydrophobicContact CG-CD1 4.03Å
187D91.9Very high90.5Very high89 Ų8933.7 Ų33.748%0.47618%0.184SC..Hα-helixtrans-68.1-36.2-177.2-67-13.7000111.2S184 L185 V190 L191S184-D187 PolarHBondContact O-N 3.47Å; S184-D187 VanDerWaalsContact O-N 3.1Å; L185-D187 PolarHBondContact O-N 3.01Å; D187-V190 PolarHBondContact O-N 3.2Å; D187-L191 WeakPolarHBondContact O-CB 3.36Å; D187-L191 PolarHBondContact O-N 3.47Å
188I94Very high90.5Very high1 Ų139.1 Ų39.11%0.00521%0.208CC..Hα-helixtrans-61.1-46.2173.3-65.8171.5000110.6I133 L154 F180 S184 L185 K186 L191 A192 L221I133-I188 HydrophobicContact CD1-CD1 4.37Å; L154-I188 HydrophobicContact CB-CG2 4.18Å; L154-I188 HydrophobicContact CD1-CG2 4.32Å; L154-I188 HydrophobicContact CD2-CD1 4.3Å; L154-I188 HydrophobicContact CD2-CG1 4.29Å; F180-I188 HydrophobicContact CE2-CD1 3.94Å; F180-I188 HydrophobicContact CZ-CD1 3.7Å; S184-I188 WeakPolarHBondContact O-CG1 3.09Å; S184-I188 PolarHBondContact O-N 3.5Å; S184-I188 VanDerWaalsContact O-N 3.1Å; L185-I188 PolarHBondContact O-N 3.42Å; K186-I188 VanDerWaalsContact C-N 3.32Å; K186-I188 PolarHBondContact O-N 2.88Å; I188-L191 PolarHBondContact O-N 2.96Å; I188-A192 WeakPolarHBondContact O-CB 3.41Å; I188-A192 PolarHBondContact O-N 2.7Å; I188-L221 HydrophobicContact CG2-CD1 3.67Å; I188-L221 HydrophobicContact CG2-CD2 4.15Å; I188-L221 HydrophobicContact CG2-CG 4.16Å
189L93.6Very high90.3Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-62.6-46.2177.5176.664.5000111.9L185 K186 L191 A192 C193 V222 C225 L226 W251 I254L185-L189 PolarHBondContact O-N 2.87Å; K186-L189 PolarHBondContact O-N 2.95Å; L189-L191 VanDerWaalsContact C-N 3.3Å; L189-L191 PolarHBondContact O-N 3.27Å; L189-A192 PolarHBondContact O-N 3.38Å; L189-C193 PolarHBondContact O-N 3.1Å; L189-C193 PolarHBondContact O-SG 2.94Å; L189-V222 HydrophobicContact CD1-CB 4.46Å; L189-V222 HydrophobicContact CD1-CG1 3.96Å; L189-V222 HydrophobicContact CD1-CG2 4.38Å; L189-C225 HydrophobicContact CB-CB 4.23Å; L189-C225 HydrophobicContact CD1-CB 4.16Å; L189-L226 HydrophobicContact CD2-CD2 4.35Å; L189-W251 HydrophobicContact CB-CH2 4.43Å; L189-W251 HydrophobicContact CB-CZ3 4.5Å; L189-W251 HydrophobicContact CD2-CE3 3.6Å; L189-W251 HydrophobicContact CD2-CH2 4.07Å; L189-W251 HydrophobicContact CD2-CZ3 3.34Å; L189-W251 HydrophobicContact CG-CZ3 4.5Å; L189-I254 HydrophobicContact CD2-CD1 4.43Å
190V92.6Very high89.9Confident68 Ų6839.3 Ų39.341%0.41221%0.206SC..Hα-helixtrans-60.7-43.5178.6171.20000110.5K186 D187 C193 S194 I254K186-V190 WeakPolarHBondContact O-CG2 3.37Å; K186-V190 PolarHBondContact O-N 3.49Å; D187-V190 PolarHBondContact O-N 3.2Å; V190-C193 PolarHBondContact O-N 3.5Å; V190-S194 WeakPolarHBondContact O-CB 3.27Å; V190-S194 PolarHBondContact O-N 3.47Å; V190-I254 HydrophobicContact CG2-CD1 3.65Å; V190-I254 HydrophobicContact CG2-CG1 4.27Å
191L91.6Very high89.3Confident39 Ų3943.4 Ų43.420%0.20424%0.24CC..Hα-helixtrans-61.1-48.1176.1-178.460.5000111.5L140 L154 D187 I188 L189 C193 S194 L195L140-L191 HydrophobicContact CD1-CD1 4.03Å; L140-L191 HydrophobicContact CD1-CD2 3.47Å; L140-L191 VanDerWaalsContact CD1-CD2 3.47Å; L140-L191 HydrophobicContact CD1-CG 3.94Å; L154-L191 HydrophobicContact CD1-CD2 4.1Å; D187-L191 WeakPolarHBondContact O-CB 3.36Å; D187-L191 PolarHBondContact O-N 3.47Å; I188-L191 PolarHBondContact O-N 2.96Å; L189-L191 VanDerWaalsContact C-N 3.3Å; L189-L191 PolarHBondContact O-N 3.27Å; L191-C193 PolarHBondContact O-N 2.84Å; L191-S194 PolarHBondContact O-N 2.9Å; L191-S194 VanDerWaalsContact O-N 3.14Å; L191-S194 PolarHBondContact O-OG 2.94Å; L191-L195 WeakPolarHBondContact O-CG 3.3Å; L191-L195 PolarHBondContact O-N 2.74Å
192A93.4Very high88.7Confident0 Ų048.6 Ų48.60%026%0.264CS..Hα-helixtrans-59.7-44.1177.300000112I188 L189 S194 L195 L196 V218 L221 V222I188-A192 WeakPolarHBondContact O-CB 3.41Å; I188-A192 PolarHBondContact O-N 2.7Å; L189-A192 PolarHBondContact O-N 3.38Å; A192-S194 VanDerWaalsContact C-N 3.33Å; A192-S194 PolarHBondContact O-N 3.45Å; A192-L195 PolarHBondContact O-N 3.47Å; A192-L196 PolarHBondContact O-N 2.99Å; A192-V218 HydrophobicContact CB-CG1 4.1Å; A192-V218 VanDerWaalsContact O-CG1 3.28Å; A192-V218 WeakPolarHBondContact O-CG1 3.45Å; A192-L221 HydrophobicContact CB-CD2 3.79Å; A192-L221 HydrophobicContact CB-CG 4.03Å; A192-V222 HydrophobicContact CB-CG2 3.65Å
193C92.5Very high87.8Confident12 Ų1250.2 Ų50.28%0.08128%0.28CS..Hα-helixtrans-62.8-39.8175.1-65.70000111.9L189 V190 L191 L196 K197L189-C193 PolarHBondContact O-N 3.1Å; L189-C193 PolarHBondContact O-SG 2.94Å; V190-C193 PolarHBondContact O-N 3.5Å; L191-C193 PolarHBondContact O-N 2.84Å; C193-L196 PolarHBondContact O-N 3.17Å; C193-K197 WeakPolarHBondContact O-CG 3.45Å; C193-K197 PolarHBondContact O-N 3.36Å
194S91Very high86.8Confident41 Ų4149.1 Ų49.129%0.28727%0.271SS..Hα-helixtrans-64.7-38.7177.277.60000112.4V190 L191 A192 K197 Q198V190-S194 WeakPolarHBondContact O-CB 3.27Å; V190-S194 PolarHBondContact O-N 3.47Å; L191-S194 PolarHBondContact O-N 2.9Å; L191-S194 VanDerWaalsContact O-N 3.14Å; L191-S194 PolarHBondContact O-OG 2.94Å; A192-S194 VanDerWaalsContact C-N 3.33Å; A192-S194 PolarHBondContact O-N 3.45Å; S194-K197 PolarHBondContact O-N 2.92Å; S194-Q198 WeakPolarHBondContact O-CG 3.25Å; S194-Q198 PolarHBondContact O-N 3.26Å
195L89.7Confident85.9Confident18 Ų1852.5 Ų52.59%0.09429%0.288CS..Hα-helixtrans-63.5-44174.5-70.6172000110.9L140 V151 L191 A192 K197 Q198 V199 V218L140-L195 HydrophobicContact CD1-CD1 4.48Å; L140-L195 HydrophobicContact CD2-CD1 4.17Å; V151-L195 HydrophobicContact CG2-CD1 4.08Å; L191-L195 WeakPolarHBondContact O-CG 3.3Å; L191-L195 PolarHBondContact O-N 2.74Å; A192-L195 PolarHBondContact O-N 3.47Å; L195-K197 PolarHBondContact O-N 3.26Å; L195-Q198 PolarHBondContact O-N 2.79Å; L195-V199 VanDerWaalsContact O-CG2 3.3Å; L195-V199 WeakPolarHBondContact O-CG2 3.36Å; L195-V199 PolarHBondContact O-N 3.38Å; L195-V218 HydrophobicContact CB-CG1 4.23Å; L195-V218 HydrophobicContact CB-CG2 4.38Å; L195-V218 HydrophobicContact CD1-CG2 4.33Å
196L90.9Very high84.6Confident1 Ų156.1 Ų56.11%0.00531%0.307CS..Hα-helixtrans-61.3-43.1174.7-69.8173.9000112.3A192 C193 Q198 V199 L200 V218 L219 V222 L263 F264 L267A192-L196 PolarHBondContact O-N 2.99Å; C193-L196 PolarHBondContact O-N 3.17Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 2.99Å; L196-V199 PolarHBondContact O-N 3.47Å; L196-L200 WeakPolarHBondContact O-CB 3.15Å; L196-L200 PolarHBondContact O-N 3.01Å; L196-V218 HydrophobicContact CD1-CG1 4.16Å; L196-V218 HydrophobicContact CD2-CB 4.01Å; L196-V218 HydrophobicContact CD2-CG1 3.72Å; L196-V218 HydrophobicContact CG-CB 4.37Å; L196-V218 HydrophobicContact CG-CG1 3.53Å; L196-L219 HydrophobicContact CD1-CD2 3.99Å; L196-L219 HydrophobicContact CD2-CD2 4.32Å; L196-L219 HydrophobicContact CD2-CG 4.3Å; L196-V222 HydrophobicContact CD1-CG2 3.99Å; L196-L263 HydrophobicContact CB-CD1 4.4Å; L196-L263 HydrophobicContact CB-CD2 4.06Å; L196-F264 HydrophobicContact CD1-CE1 3.83Å; L196-F264 HydrophobicContact CD1-CZ 4.03Å; L196-L267 HydrophobicContact CB-CD1 4.27Å; L196-L267 HydrophobicContact CD1-CD1 3.98Å; L196-L267 HydrophobicContact CD2-CD1 4.22Å; L196-L267 HydrophobicContact CG-CD1 4.37Å
197K89.2Confident83.5Confident72 Ų7261.5 Ų61.531%0.31333%0.333SS..Hα-helixtrans-59.7-43.2175.4-72.2-173.8-178.7-171.60111.4C193 S194 L195 L200 A201 E259 L263C193-K197 WeakPolarHBondContact O-CG 3.45Å; C193-K197 PolarHBondContact O-N 3.36Å; S194-K197 PolarHBondContact O-N 2.92Å; L195-K197 PolarHBondContact O-N 3.26Å; K197-L200 PolarHBondContact O-N 2.7Å; K197-A201 WeakPolarHBondContact O-CB 3.44Å; K197-A201 PolarHBondContact O-N 3.48Å; K197-E259 IonicContact NZ-OE2 3.38Å; K197-E259 PolarHBondContact NZ-OE2 3.42Å; K197-L263 HydrophobicContact CG-CD1 4.08Å; K197-L263 HydrophobicContact CG-CD2 3.79Å
198Q85.7Confident83Confident123 Ų12359.7 Ų59.758%0.57532%0.324SS*.Hα-helixtrans-65.7-39.3178.1-72.5175.314.600112.8S194 L195 L196 A201S194-Q198 WeakPolarHBondContact O-CG 3.25Å; S194-Q198 PolarHBondContact O-N 3.26Å; L195-Q198 PolarHBondContact O-N 2.79Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 2.99Å; Q198-A201 PolarHBondContact O-N 3.34Å
199V81Confident82.3Confident30 Ų3067.2 Ų67.218%0.18236%0.359CS..Hα-helixtrans-67.5-40.6177.5172.90000110.8L195 L196 A201 K202 L204 L214 V215L195-V199 VanDerWaalsContact O-CG2 3.3Å; L195-V199 WeakPolarHBondContact O-CG2 3.36Å; L195-V199 PolarHBondContact O-N 3.38Å; L196-V199 PolarHBondContact O-N 3.47Å; V199-A201 VanDerWaalsContact C-N 3.33Å; V199-A201 PolarHBondContact O-N 3.46Å; V199-K202 PolarHBondContact O-N 3.5Å; V199-L204 HydrophobicContact CG1-CD2 3.57Å; V199-L214 HydrophobicContact CG2-CD2 4.3Å; V199-V215 HydrophobicContact CG1-CG2 3.59Å
200L79.9Confident81.7Confident49 Ų4970.8 Ų70.826%0.25738%0.378SS..Hα-helixtrans-72.3-23.9177.4-165.469.2000113.3L196 K197 K202 L204 L263 N266 L267L196-L200 WeakPolarHBondContact O-CB 3.15Å; L196-L200 PolarHBondContact O-N 3.01Å; K197-L200 PolarHBondContact O-N 2.7Å; L200-K202 PolarHBondContact O-N 2.92Å; L200-L204 HydrophobicContact CD1-CD1 3.96Å; L200-L263 HydrophobicContact CD2-CD1 3.85Å; L200-N266 HydrophobicContact CD2-CB 4.07Å; L200-L267 HydrophobicContact CD1-CD2 4.18Å
201A80Confident81.2Confident86 Ų8670.7 Ų70.771%0.71137%0.373SS*.THydrogen-bonded Turntrans-68.8-17.2177.700000113.4K197 Q198 V199K197-A201 WeakPolarHBondContact O-CB 3.44Å; K197-A201 PolarHBondContact O-N 3.48Å; Q198-A201 PolarHBondContact O-N 3.34Å; V199-A201 VanDerWaalsContact C-N 3.33Å; V199-A201 PolarHBondContact O-N 3.46Å
202K75.1Confident80.9Confident159 Ų15972.1 Ų72.169%0.69138%0.379SS*.SBendtrans-103.8148.2173.3-64.3178-177.2175.40108.9V199 L200 L204V199-K202 PolarHBondContact O-N 3.5Å; L200-K202 PolarHBondContact O-N 2.92Å; K202-L204 PolarHBondContact O-N 3.34Å
203P68.2Low80.6Confident129 Ų12973.8 Ų73.884%0.83839%0.39SS*.  trans-58.1114.517223.3-30.8000108.8N205P203-N205 PolarHBondContact O-N 3.33Å; P203-N205 VanDerWaalsContact O-N 3.08Å
204L66.1Low80.5Confident43 Ų4374.1 Ų74.123%0.22539%0.391CS..  trans-57.9111.3-179.1-75.1163.8000109.2V199 L200 K202 L206 L271V199-L204 HydrophobicContact CG1-CD2 3.57Å; L200-L204 HydrophobicContact CD1-CD1 3.96Å; K202-L204 PolarHBondContact O-N 3.34Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-L206 HydrophobicContact CB-CD2 4.36Å; L204-L206 HydrophobicContact CB-CG 4.49Å; L204-L206 PolarHBondContact O-N 3.36Å; L204-L206 VanDerWaalsContact O-N 3.07Å; L204-L271 HydrophobicContact CD1-CD2 4.18Å
205N72Confident80.5Confident80 Ų8072.4 Ų72.443%0.42838%0.379SS..  trans-81.886.7170.7-173.75000108.6P203 Q207 D208P203-N205 PolarHBondContact O-N 3.33Å; P203-N205 VanDerWaalsContact O-N 3.08Å; N205-Q207 PolarHBondContact O-N 2.87Å; N205-Q207 PolarHBondContact OD1-N 2.88Å; N205-D208 HydrophobicContact CB-CB 4.31Å; N205-D208 WeakPolarHBondContact O-CB 3.41Å; N205-D208 PolarHBondContact O-N 3.27Å
206L66.4Low80.6Confident75 Ų7573.6 Ų73.639%0.39338%0.384SS..THydrogen-bonded Turntrans-62.7-6.7-179.8-64.7176.5000113.8L204 Q212 L271L204-L206 VanDerWaalsContact C-N 3.33Å; L204-L206 HydrophobicContact CB-CD2 4.36Å; L204-L206 HydrophobicContact CB-CG 4.49Å; L204-L206 PolarHBondContact O-N 3.36Å; L204-L206 VanDerWaalsContact O-N 3.07Å; L206-Q212 PolarHBondContact O-NE2 2.87Å; L206-L271 HydrophobicContact CD2-CD2 4.44Å
207Q69.5Low80.7Confident177 Ų17774.8 Ų74.883%0.82739%0.39SS*.THydrogen-bonded Turntrans-86.2-16.3172.9-62.9-175.5-6.700113.1N205 Q209N205-Q207 PolarHBondContact O-N 2.87Å; N205-Q207 PolarHBondContact OD1-N 2.88Å; Q207-Q209 PolarHBondContact O-N 3.1Å
208D79.8Confident81Confident50 Ų5071.4 Ų71.427%0.26738%0.376SS..  trans-81.1108.4-179.9-173.4-20000110N205 D210 Q211 Q212N205-D208 HydrophobicContact CB-CB 4.31Å; N205-D208 WeakPolarHBondContact O-CB 3.41Å; N205-D208 PolarHBondContact O-N 3.27Å; D208-D210 PolarHBondContact O-N 3.21Å; D208-D210 WeakPolarHBondContact OD1-CB 3.49Å; D208-D210 PolarHBondContact OD1-N 3.15Å; D208-Q211 HydrophobicContact CB-CB 4.06Å; D208-Q211 HydrophobicContact CB-CG 4.04Å; D208-Q211 PolarHBondContact O-N 2.92Å; D208-Q211 PolarHBondContact OD1-N 3.46Å; D208-Q211 WeakPolarHBondContact OD2-CG 3.44Å; D208-Q211 PolarHBondContact OD2-NE2 3.31Å; D208-Q212 PolarHBondContact O-N 3.32Å
209Q80.6Confident81.5Confident160 Ų16065.6 Ų65.675%0.74835%0.348SS*.Hα-helixtrans-61-33.1-179.4-71.9-172.5-1500112.4Q207 Q212 S213Q207-Q209 PolarHBondContact O-N 3.1Å; Q209-Q212 PolarHBondContact O-N 3.46Å; Q209-S213 VanDerWaalsContact O-CB 3.28Å; Q209-S213 WeakPolarHBondContact O-CB 3.24Å; Q209-S213 PolarHBondContact O-N 3.16Å
210D80.7Confident82.1Confident75 Ų7567.8 Ų67.840%0.40136%0.355SS..Hα-helixtrans-72-39.1-179.7-66.7-31.9000110.6V144 D208 S213 L214V144-D210 HydrophobicContact CG1-CB 3.89Å; D208-D210 PolarHBondContact O-N 3.21Å; D208-D210 WeakPolarHBondContact OD1-CB 3.49Å; D208-D210 PolarHBondContact OD1-N 3.15Å; D210-S213 PolarHBondContact O-N 3.33Å; D210-L214 WeakPolarHBondContact O-CB 3.4Å; D210-L214 PolarHBondContact O-N 2.99Å
211Q82.3Confident82.9Confident66 Ų6665.5 Ų65.531%0.30834%0.343SS..Hα-helixtrans-65-43.4173.5-71.4-173.413.600112.1D208 S213 L214 V215D208-Q211 HydrophobicContact CB-CB 4.06Å; D208-Q211 HydrophobicContact CB-CG 4.04Å; D208-Q211 PolarHBondContact O-N 2.92Å; D208-Q211 PolarHBondContact OD1-N 3.46Å; D208-Q211 WeakPolarHBondContact OD2-CG 3.44Å; D208-Q211 PolarHBondContact OD2-NE2 3.31Å; Q211-S213 VanDerWaalsContact C-N 3.33Å; Q211-S213 PolarHBondContact O-N 2.87Å; Q211-L214 PolarHBondContact O-N 3.47Å; Q211-V215 WeakPolarHBondContact O-CG2 3.33Å; Q211-V215 PolarHBondContact O-N 3.46Å
212Q85.3Confident83.7Confident69 Ų6961.4 Ų61.432%0.32231%0.31SS..Hα-helixtrans-61.2-44175.5-71.8-165.4-7.800111.6L206 D208 Q209 V215 M216 L275L206-Q212 PolarHBondContact O-NE2 2.87Å; D208-Q212 PolarHBondContact O-N 3.32Å; Q209-Q212 PolarHBondContact O-N 3.46Å; Q212-V215 PolarHBondContact O-N 3.48Å; Q212-M216 WeakPolarHBondContact O-CB 3.38Å; Q212-M216 PolarHBondContact O-N 3.24Å; Q212-L275 HydrophobicContact CB-CD1 4.33Å; Q212-L275 HydrophobicContact CG-CD1 4.44Å
213S87.5Confident84.6Confident35 Ų3555.1 Ų55.125%0.24528%0.283CS..Hα-helixtrans-60.9-44.8176.8-173.60000111.2Q209 D210 Q211 M216 Q217Q209-S213 VanDerWaalsContact O-CB 3.28Å; Q209-S213 WeakPolarHBondContact O-CB 3.24Å; Q209-S213 PolarHBondContact O-N 3.16Å; D210-S213 PolarHBondContact O-N 3.33Å; Q211-S213 VanDerWaalsContact C-N 3.33Å; Q211-S213 PolarHBondContact O-N 2.87Å; S213-M216 WeakPolarHBondContact O-CB 3.25Å; S213-M216 PolarHBondContact O-N 3.49Å; S213-Q217 WeakPolarHBondContact O-CG 3.24Å; S213-Q217 PolarHBondContact O-N 2.94Å
214L89.3Confident85.8Confident19 Ų1949.7 Ų49.710%0.09925%0.248CC..Hα-helixtrans-59.5-50.4175.8-179.463000111.6V144 C147 I148 V151 V199 D210 Q211 M216 Q217 V218V144-L214 HydrophobicContact CG1-CD2 4.36Å; C147-L214 HydrophobicContact CB-CD1 4.2Å; I148-L214 HydrophobicContact CD1-CB 4.44Å; I148-L214 HydrophobicContact CG1-CB 3.9Å; I148-L214 HydrophobicContact CG1-CD1 4.02Å; V151-L214 HydrophobicContact CG2-CD1 4.22Å; V199-L214 HydrophobicContact CG2-CD2 4.3Å; D210-L214 WeakPolarHBondContact O-CB 3.4Å; D210-L214 PolarHBondContact O-N 2.99Å; Q211-L214 PolarHBondContact O-N 3.47Å; L214-M216 VanDerWaalsContact C-N 3.3Å; L214-M216 PolarHBondContact O-N 3.08Å; L214-Q217 PolarHBondContact O-N 3.3Å; L214-V218 HydrophobicContact CD1-CG2 4.01Å; L214-V218 HydrophobicContact CG-CG2 4.35Å; L214-V218 VanDerWaalsContact O-CG2 3.23Å; L214-V218 WeakPolarHBondContact O-CG2 3.09Å; L214-V218 PolarHBondContact O-N 2.98Å
215V90.9Very high87.2Confident4 Ų447.6 Ų47.62%0.02424%0.238CC..Hα-helixtrans-58.6-43.6178173.30000111.1V199 Q211 Q212 Q217 V218 L219 L271 L275V199-V215 HydrophobicContact CG1-CG2 3.59Å; Q211-V215 WeakPolarHBondContact O-CG2 3.33Å; Q211-V215 PolarHBondContact O-N 3.46Å; Q212-V215 PolarHBondContact O-N 3.48Å; V215-Q217 PolarHBondContact O-N 2.8Å; V215-V218 PolarHBondContact O-N 3.16Å; V215-L219 HydrophobicContact CG1-CD1 3.87Å; V215-L219 HydrophobicContact CG1-CG 4.35Å; V215-L219 WeakPolarHBondContact O-CB 3.41Å; V215-L219 WeakPolarHBondContact O-CG 3.45Å; V215-L219 PolarHBondContact O-N 3.2Å; V215-L271 HydrophobicContact CG1-CD1 3.9Å; V215-L271 HydrophobicContact CG1-CD2 4.05Å; V215-L275 HydrophobicContact CB-CD1 4.49Å; V215-L275 HydrophobicContact CG1-CD1 4.29Å
216M92.4Very high88.2Confident43 Ų4343.9 Ų43.921%0.21222%0.217CC..Hα-helixtrans-57.4-50.3177-172.8178.953.500111.6Q212 S213 L214 V218 L219 K220 L275 L278Q212-M216 WeakPolarHBondContact O-CB 3.38Å; Q212-M216 PolarHBondContact O-N 3.24Å; S213-M216 WeakPolarHBondContact O-CB 3.25Å; S213-M216 PolarHBondContact O-N 3.49Å; L214-M216 VanDerWaalsContact C-N 3.3Å; L214-M216 PolarHBondContact O-N 3.08Å; M216-V218 VanDerWaalsContact C-N 3.35Å; M216-L219 PolarHBondContact O-N 2.96Å; M216-K220 HydrophobicContact CG-CD 4.41Å; M216-K220 WeakPolarHBondContact O-CG 3.2Å; M216-K220 PolarHBondContact O-N 2.96Å; M216-L275 HydrophobicContact CB-CD2 3.52Å; M216-L275 HydrophobicContact CG-CD2 3.92Å; M216-L278 HydrophobicContact CG-CD1 3.87Å
217Q93Very high89.3Confident26 Ų2643.9 Ų43.912%0.12122%0.218CC..Hα-helixtrans-67.5-36.9-178-63.7-60-9.500111.7I148 V151 I152 S213 L214 V215 K220 L221I148-Q217 HydrophobicContact CG2-CG 4.28Å; V151-Q217 HydrophobicContact CB-CB 4.31Å; V151-Q217 HydrophobicContact CG1-CB 3.68Å; V151-Q217 WeakPolarHBondContact CG1-O 3.39Å; I152-Q217 HydrophobicContact CD1-CG 4.33Å; I152-Q217 HydrophobicContact CG1-CB 4.45Å; I152-Q217 HydrophobicContact CG1-CG 3.89Å; S213-Q217 WeakPolarHBondContact O-CG 3.24Å; S213-Q217 PolarHBondContact O-N 2.94Å; L214-Q217 PolarHBondContact O-N 3.3Å; V215-Q217 PolarHBondContact O-N 2.8Å; Q217-K220 PolarHBondContact O-N 3.37Å; Q217-L221 WeakPolarHBondContact O-CB 3.32Å; Q217-L221 PolarHBondContact O-N 2.79Å
218V94.8Very high90.3Very high2 Ų235.7 Ų35.71%0.01218%0.18CC..Hα-helixtrans-69.1-39.2177.9-177.90000110.9V151 A192 L195 L196 L214 V215 M216 L221 V222V151-V218 HydrophobicContact CB-CG2 4.45Å; V151-V218 HydrophobicContact CG1-CB 4.41Å; V151-V218 HydrophobicContact CG1-CG2 3.87Å; V151-V218 HydrophobicContact CG2-CG2 3.78Å; A192-V218 HydrophobicContact CB-CG1 4.1Å; A192-V218 VanDerWaalsContact O-CG1 3.28Å; A192-V218 WeakPolarHBondContact O-CG1 3.45Å; L195-V218 HydrophobicContact CB-CG1 4.23Å; L195-V218 HydrophobicContact CB-CG2 4.38Å; L195-V218 HydrophobicContact CD1-CG2 4.33Å; L196-V218 HydrophobicContact CD1-CG1 4.16Å; L196-V218 HydrophobicContact CD2-CB 4.01Å; L196-V218 HydrophobicContact CD2-CG1 3.72Å; L196-V218 HydrophobicContact CG-CB 4.37Å; L196-V218 HydrophobicContact CG-CG1 3.53Å; L214-V218 HydrophobicContact CD1-CG2 4.01Å; L214-V218 HydrophobicContact CG-CG2 4.35Å; L214-V218 VanDerWaalsContact O-CG2 3.23Å; L214-V218 WeakPolarHBondContact O-CG2 3.09Å; L214-V218 PolarHBondContact O-N 2.98Å; V215-V218 PolarHBondContact O-N 3.16Å; M216-V218 VanDerWaalsContact C-N 3.35Å; V218-L221 WeakPolarHBondContact O-CB 3.29Å; V218-L221 PolarHBondContact O-N 2.71Å; V218-V222 WeakPolarHBondContact O-CG2 3.45Å; V218-V222 PolarHBondContact O-N 2.7Å
219L95.8Very high90.5Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-64.3-41.9173.3-73.7171.6000112L196 V215 M216 L221 V222 L223 F264 L267 L271 L275 L278 A279L196-L219 HydrophobicContact CD1-CD2 3.99Å; L196-L219 HydrophobicContact CD2-CD2 4.32Å; L196-L219 HydrophobicContact CD2-CG 4.3Å; V215-L219 HydrophobicContact CG1-CD1 3.87Å; V215-L219 HydrophobicContact CG1-CG 4.35Å; V215-L219 WeakPolarHBondContact O-CB 3.41Å; V215-L219 WeakPolarHBondContact O-CG 3.45Å; V215-L219 PolarHBondContact O-N 3.2Å; M216-L219 PolarHBondContact O-N 2.96Å; L219-L221 VanDerWaalsContact C-N 3.29Å; L219-L221 PolarHBondContact O-N 2.96Å; L219-V222 PolarHBondContact O-N 3.5Å; L219-L223 WeakPolarHBondContact O-CB 3.43Å; L219-L223 PolarHBondContact O-N 3.39Å; L219-F264 HydrophobicContact CD2-CD1 4.34Å; L219-F264 HydrophobicContact CD2-CE1 4.11Å; L219-L267 HydrophobicContact CD2-CD1 4.31Å; L219-L271 HydrophobicContact CD1-CD1 4.06Å; L219-L275 WeakPolarHBondContact CD1-O 3.26Å; L219-L278 HydrophobicContact CB-CB 3.9Å; L219-L278 HydrophobicContact CB-CD1 4.28Å; L219-L278 HydrophobicContact CD1-CB 3.99Å; L219-A279 HydrophobicContact CD1-CB 4.44Å; L219-A279 HydrophobicContact CD2-CB 4.29Å
220K95.5Very high90.6Very high77 Ų7727.6 Ų27.634%0.33514%0.141SC..Hα-helixtrans-60-39.4172.8-75.1177.5178.1-1790111.9M216 Q217 L223 S224 L278M216-K220 HydrophobicContact CG-CD 4.41Å; M216-K220 WeakPolarHBondContact O-CG 3.2Å; M216-K220 PolarHBondContact O-N 2.96Å; Q217-K220 PolarHBondContact O-N 3.37Å; K220-L223 PolarHBondContact O-N 3.5Å; K220-S224 WeakPolarHBondContact O-CB 3.39Å; K220-S224 PolarHBondContact O-N 2.83Å; K220-S224 PolarHBondContact O-OG 3.34Å; K220-L278 HydrophobicContact CG-CD1 4.13Å; K220-L278 HydrophobicContact CG-CD2 4.39Å
221L96.3Very high90.2Very high1 Ų129.4 Ų29.41%0.00515%0.15CC..Hα-helixtrans-63.5-49.7175.9175.459.6000111.3V151 L154 C155 I188 A192 Q217 V218 L219 L223 S224 C225V151-L221 HydrophobicContact CG1-CB 4.12Å; V151-L221 HydrophobicContact CG1-CD2 4.04Å; L154-L221 HydrophobicContact CB-CD1 3.7Å; L154-L221 HydrophobicContact CB-CD2 3.82Å; L154-L221 HydrophobicContact CB-CG 4.44Å; L154-L221 HydrophobicContact CD1-CD2 4.01Å; C155-L221 HydrophobicContact CB-CB 4.32Å; C155-L221 HydrophobicContact CB-CD1 4.19Å; I188-L221 HydrophobicContact CG2-CD1 3.67Å; I188-L221 HydrophobicContact CG2-CD2 4.15Å; I188-L221 HydrophobicContact CG2-CG 4.16Å; A192-L221 HydrophobicContact CB-CD2 3.79Å; A192-L221 HydrophobicContact CB-CG 4.03Å; Q217-L221 WeakPolarHBondContact O-CB 3.32Å; Q217-L221 PolarHBondContact O-N 2.79Å; V218-L221 WeakPolarHBondContact O-CB 3.29Å; V218-L221 PolarHBondContact O-N 2.71Å; L219-L221 VanDerWaalsContact C-N 3.29Å; L219-L221 PolarHBondContact O-N 2.96Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 2.84Å; L221-S224 PolarHBondContact O-N 3.18Å; L221-C225 PolarHBondContact O-N 3.21Å; L221-C225 PolarHBondContact O-SG 2.87Å
222V96Very high89.5Confident0 Ų027.8 Ų27.80%015%0.152CC..Hα-helixtrans-56-49.5176172.10000110.5L189 A192 L196 V218 L219 S224 C225 L226 F264 C282L189-V222 HydrophobicContact CD1-CB 4.46Å; L189-V222 HydrophobicContact CD1-CG1 3.96Å; L189-V222 HydrophobicContact CD1-CG2 4.38Å; A192-V222 HydrophobicContact CB-CG2 3.65Å; L196-V222 HydrophobicContact CD1-CG2 3.99Å; V218-V222 WeakPolarHBondContact O-CG2 3.45Å; V218-V222 PolarHBondContact O-N 2.7Å; L219-V222 PolarHBondContact O-N 3.5Å; V222-S224 VanDerWaalsContact C-N 3.32Å; V222-S224 PolarHBondContact O-N 3.12Å; V222-C225 WeakPolarHBondContact O-CB 3.34Å; V222-C225 PolarHBondContact O-N 3.22Å; V222-C225 VanDerWaalsContact O-N 3.15Å; V222-L226 HydrophobicContact CG1-CD1 3.81Å; V222-L226 HydrophobicContact CG1-CG 4.31Å; V222-L226 WeakPolarHBondContact O-CG 3.33Å; V222-L226 PolarHBondContact O-N 2.94Å; V222-F264 HydrophobicContact CG1-CE1 3.9Å; V222-F264 HydrophobicContact CG1-CZ 3.69Å; V222-F264 HydrophobicContact CG2-CZ 4.29Å; V222-C282 HydrophobicContact CG1-CB 4.36Å
223L94.7Very high88.2Confident27 Ų2728.7 Ų28.714%0.14117%0.166CC..Hα-helixtrans-59.7-42.8178.6-174.760.5000111.6L219 K220 L221 C225 L226 N227 L278 Q285L219-L223 WeakPolarHBondContact O-CB 3.43Å; L219-L223 PolarHBondContact O-N 3.39Å; K220-L223 PolarHBondContact O-N 3.5Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 2.84Å; L223-C225 VanDerWaalsContact C-N 3.31Å; L223-C225 PolarHBondContact O-N 2.69Å; L223-L226 PolarHBondContact O-N 3.48Å; L223-N227 VanDerWaalsContact O-CB 3.31Å; L223-N227 WeakPolarHBondContact O-CB 3.25Å; L223-N227 PolarHBondContact O-N 3.25Å; L223-L278 HydrophobicContact CD2-CD2 4.41Å; L223-Q285 HydrophobicContact CD1-CG 3.82Å
224S94Very high86.6Confident14 Ų1430.2 Ų30.210%0.09818%0.176CC..Hα-helixtrans-62.3-38.1176.3-55.70000111.8C155 Q159 K220 L221 V222 F228C155-S224 PolarHBondContact SG-OG 3.26Å; C155-S224 VanDerWaalsContact SG-OG 3.38Å; Q159-S224 PolarHBondContact NE2-OG 2.67Å; Q159-S224 VanDerWaalsContact NE2-OG 3.1Å; K220-S224 WeakPolarHBondContact O-CB 3.39Å; K220-S224 PolarHBondContact O-N 2.83Å; K220-S224 PolarHBondContact O-OG 3.34Å; L221-S224 PolarHBondContact O-N 3.18Å; V222-S224 VanDerWaalsContact C-N 3.32Å; V222-S224 PolarHBondContact O-N 3.12Å; S224-F228 PolarHBondContact O-N 3.05Å
225C94.9Very high84.7Confident0 Ų033.2 Ų33.20%020%0.204CC..Hα-helixtrans-67.4-38.7175.1-64.70000112.4L185 L189 L221 V222 L223 F228 F230L185-C225 HydrophobicContact CD1-CB 4.03Å; L189-C225 HydrophobicContact CB-CB 4.23Å; L189-C225 HydrophobicContact CD1-CB 4.16Å; L221-C225 PolarHBondContact O-N 3.21Å; L221-C225 PolarHBondContact O-SG 2.87Å; V222-C225 WeakPolarHBondContact O-CB 3.34Å; V222-C225 PolarHBondContact O-N 3.22Å; V222-C225 VanDerWaalsContact O-N 3.15Å; L223-C225 VanDerWaalsContact C-N 3.31Å; L223-C225 PolarHBondContact O-N 2.69Å; C225-F228 WeakPolarHBondContact O-CB 3.49Å; C225-F230 WeakPolarHBondContact O-CZ 3.28Å
226L92Very high82.8Confident1 Ų137.5 Ų37.51%0.00523%0.226CC..Hα-helixtrans-76.4-30.1-179.7-66.4174.9000112.8L189 V222 L223 F228 V245 I247 F255 C282 Q285 F286L189-L226 HydrophobicContact CD2-CD2 4.35Å; V222-L226 HydrophobicContact CG1-CD1 3.81Å; V222-L226 HydrophobicContact CG1-CG 4.31Å; V222-L226 WeakPolarHBondContact O-CG 3.33Å; V222-L226 PolarHBondContact O-N 2.94Å; L223-L226 PolarHBondContact O-N 3.48Å; L226-F228 VanDerWaalsContact C-N 3.27Å; L226-F228 PolarHBondContact O-N 2.76Å; L226-V245 WeakPolarHBondContact O-CG1 3.34Å; L226-I247 HydrophobicContact CD2-CD1 4.45Å; L226-F255 HydrophobicContact CD2-CZ 3.95Å; L226-C282 HydrophobicContact CD1-CB 4.41Å; L226-Q285 HydrophobicContact CB-CB 3.7Å; L226-Q285 HydrophobicContact CB-CG 4.04Å; L226-Q285 HydrophobicContact CD1-CB 3.92Å; L226-Q285 HydrophobicContact CG-CB 4.37Å; L226-F286 HydrophobicContact CD1-CD2 4.16Å; L226-F286 HydrophobicContact CD1-CE1 4.45Å; L226-F286 HydrophobicContact CD1-CE2 3.77Å; L226-F286 HydrophobicContact CD1-CZ 3.92Å; L226-F286 HydrophobicContact CD2-CE1 4.43Å
227N90Very high80.5Confident76 Ų7645 Ų4541%0.40626%0.261SS..THydrogen-bonded Turntrans-83.12.8176-75-14.4000113.9N162 L223 D229 Q285N162-N227 PolarHBondContact ND2-O 3.34Å; L223-N227 VanDerWaalsContact O-CB 3.31Å; L223-N227 WeakPolarHBondContact O-CB 3.25Å; L223-N227 PolarHBondContact O-N 3.25Å; N227-D229 PolarHBondContact O-N 3.43Å; N227-Q285 VanDerWaalsContact OD1-CG 3.28Å; N227-Q285 WeakPolarHBondContact OD1-CG 3.32Å; N227-Q285 PolarHBondContact OD1-NE2 2.98Å; N227-Q285 VanDerWaalsContact OD1-NE2 3.1Å; N227-Q285 PolarHBondContact OD1-OE1 3.37Å
228F89.9Confident78.2Confident5 Ų548.2 Ų48.22%0.02229%0.286CS..SBendtrans-62.3136.8179.6-162.8-90.5000110.8T158 M161 N162 A177 F180 R181 L185 S224 C225 L226 F230T158-F228 HydrophobicContact CG2-CD2 4.12Å; M161-F228 HydrophobicContact CB-CE2 4.08Å; N162-F228 HydrophobicContact CB-CD2 3.77Å; N162-F228 HydrophobicContact CB-CE2 3.74Å; A177-F228 HydrophobicContact CB-CE1 4.31Å; A177-F228 HydrophobicContact CB-CZ 3.95Å; F180-F228 AromaticContact CD1-CE2 3.79Å; F180-F228 HydrophobicContact CD1-CE2 3.79Å; F180-F228 AromaticContact CD1-CZ 3.92Å; F180-F228 HydrophobicContact CD1-CZ 3.92Å; F180-F228 AromaticContact CE1-CE2 4Å; F180-F228 HydrophobicContact CE1-CE2 4Å; R181-F228 HydrophobicContact CB-CE1 4.02Å; L185-F228 HydrophobicContact CD2-CB 3.75Å; L185-F228 HydrophobicContact CD2-CD1 3.73Å; L185-F228 HydrophobicContact CD2-CD2 3.9Å; L185-F228 HydrophobicContact CD2-CE1 4.32Å; L185-F228 HydrophobicContact CD2-CE2 4.46Å; L185-F228 HydrophobicContact CD2-CG 3.5Å; S224-F228 PolarHBondContact O-N 3.05Å; C225-F228 WeakPolarHBondContact O-CB 3.49Å; L226-F228 VanDerWaalsContact C-N 3.27Å; L226-F228 PolarHBondContact O-N 2.76Å; F228-F230 HydrophobicContact CB-CE1 4.34Å; F228-F230 HydrophobicContact CB-CE2 4.22Å; F228-F230 HydrophobicContact CB-CZ 4.03Å; F228-F230 HydrophobicContact CD1-CD1 4.4Å; F228-F230 WeakPolarHBondContact O-CD2 3.33Å; F228-F230 WeakPolarHBondContact O-CE2 3.35Å; F228-F230 PolarHBondContact O-N 3.21Å
229D84.7Confident76Confident32 Ų3251 Ų5117%0.17131%0.309CS..  trans-75.491.6174.4-177.65.1000109.7N162 N227 L231 G232 S233 S234N162-D229 PolarHBondContact OD1-N 3.18Å; N227-D229 PolarHBondContact O-N 3.43Å; D229-L231 PolarHBondContact O-N 3.29Å; D229-L231 PolarHBondContact OD1-N 2.9Å; D229-G232 PolarHBondContact OD1-N 2.91Å; D229-G232 WeakPolarHBondContact OD2-CA 3.4Å; D229-G232 PolarHBondContact OD2-N 3.08Å; D229-G232 VanDerWaalsContact OD2-N 3.16Å; D229-S233 PolarHBondContact OD2-N 3.46Å; D229-S234 PolarHBondContact OD2-N 3.22Å; D229-S234 PolarHBondContact OD2-OG 2.95Å
230F82.8Confident74Confident7 Ų755.5 Ų55.53%0.03133%0.333CS..SBendtrans-66.5-18.8-179.1-61.8-80.7000113.7R181 L185 C225 F228 V245 Q246 I247 P248 W251R181-F230 HydrophobicContact CG-CD1 3.8Å; R181-F230 HydrophobicContact CG-CE1 4.3Å; R181-F230 PolarHBondContact NH1-O 3.48Å; L185-F230 HydrophobicContact CD2-CE1 3.93Å; L185-F230 HydrophobicContact CD2-CZ 4.46Å; C225-F230 WeakPolarHBondContact O-CZ 3.28Å; F228-F230 HydrophobicContact CB-CE1 4.34Å; F228-F230 HydrophobicContact CB-CE2 4.22Å; F228-F230 HydrophobicContact CB-CZ 4.03Å; F228-F230 HydrophobicContact CD1-CD1 4.4Å; F228-F230 WeakPolarHBondContact O-CD2 3.33Å; F228-F230 WeakPolarHBondContact O-CE2 3.35Å; F228-F230 PolarHBondContact O-N 3.21Å; F230-V245 HydrophobicContact CD2-CG1 3.85Å; F230-V245 HydrophobicContact CE2-CG1 3.62Å; F230-Q246 WeakPolarHBondContact CB-O 3.36Å; F230-I247 HydrophobicContact CD2-CD1 4.29Å; F230-I247 HydrophobicContact CE1-CD1 4.46Å; F230-I247 HydrophobicContact CE2-CD1 3.52Å; F230-I247 HydrophobicContact CZ-CD1 3.6Å; F230-P248 HydrophobicContact CD1-CG 3.73Å; F230-P248 HydrophobicContact CE1-CG 4.19Å; F230-W251 AromaticContact CE1-CH2 3.78Å; F230-W251 HydrophobicContact CE1-CH2 3.78Å; F230-W251 HydrophobicContact CE1-CZ2 4.03Å; F230-W251 HydrophobicContact CE1-CZ3 4.07Å; F230-W251 AromaticContact CZ-CH2 3.91Å; F230-W251 HydrophobicContact CZ-CH2 3.91Å; F230-W251 AromaticContact CZ-CZ3 3.88Å; F230-W251 HydrophobicContact CZ-CZ3 3.88Å
231L73.1Confident72.6Confident113 Ų11354.6 Ų54.659%0.59233%0.332SS*.SBendtrans-103.8-23.6-178.5-70.3-177.1000113.8D229 Q246D229-L231 PolarHBondContact O-N 3.29Å; D229-L231 PolarHBondContact OD1-N 2.9Å; L231-Q246 HydrophobicContact CD1-CB 4.09Å; L231-Q246 HydrophobicContact CD1-CG 3.65Å; L231-Q246 HydrophobicContact CD2-CB 4.41Å; L231-Q246 HydrophobicContact CG-CB 3.94Å; L231-Q246 HydrophobicContact CG-CG 4.08Å
232G67.1Low71Confident33 Ų3355 Ų5534%0.3433%0.334SS..SBendtrans73.433-171.400000112.6D229D229-G232 PolarHBondContact OD1-N 2.91Å; D229-G232 WeakPolarHBondContact OD2-CA 3.4Å; D229-G232 PolarHBondContact OD2-N 3.08Å; D229-G232 VanDerWaalsContact OD2-N 3.16Å
233S57.2Low69.9Low88 Ų8858.6 Ų58.662%0.61536%0.359SS*.  trans-107-11.5-176.862.50000114.4D229 A235D229-S233 PolarHBondContact OD2-N 3.46Å; S233-A235 VanDerWaalsContact C-N 3.26Å; S233-A235 PolarHBondContact O-N 3.15Å
234S54.3Low69.2Low67 Ų6759.5 Ų59.547%0.46937%0.365SS..  trans-77.175.1-179.964.60000110.9D229 D236D229-S234 PolarHBondContact OD2-N 3.22Å; D229-S234 PolarHBondContact OD2-OG 2.95Å; S234-D236 VanDerWaalsContact C-N 3.33Å
235A50.3Low68.6Low82 Ų8259.7 Ų59.768%0.67837%0.366SS*.  trans-87.7-6168.200000112.5S233S233-A235 VanDerWaalsContact C-N 3.26Å; S233-A235 PolarHBondContact O-N 3.15Å
236D49.5Very low68.1Low93 Ų9362.4 Ų62.450%0.49738%0.379SS..  trans-128.8107-171.8-164.3-5.5000110.6S234 S238 A239S234-D236 VanDerWaalsContact C-N 3.33Å; D236-S238 PolarHBondContact O-N 3.13Å; D236-S238 WeakPolarHBondContact OD1-CB 3.38Å; D236-S238 PolarHBondContact OD1-N 3.26Å; D236-S238 PolarHBondContact OD1-OG 3.03Å; D236-S238 PolarHBondContact OD2-OG 3.16Å; D236-S238 VanDerWaalsContact OD2-OG 3.13Å; D236-A239 WeakPolarHBondContact O-CB 3.36Å; D236-A239 PolarHBondContact O-N 3.3Å
237E44.9Very low67.8Low200 Ų20063 Ų6394%0.93538%0.381SS*.THydrogen-bonded Turntrans-64.9-13.7172.2-68.1-171.1168.300112.3A239E237-A239 VanDerWaalsContact C-N 3.32Å
238S45.2Very low67.7Low95 Ų9560.3 Ų60.366%0.66437%0.369SS*.THydrogen-bonded Turntrans-87.53.717575.60000114.2D236D236-S238 PolarHBondContact O-N 3.13Å; D236-S238 WeakPolarHBondContact OD1-CB 3.38Å; D236-S238 PolarHBondContact OD1-N 3.26Å; D236-S238 PolarHBondContact OD1-OG 3.03Å; D236-S238 PolarHBondContact OD2-OG 3.16Å; D236-S238 VanDerWaalsContact OD2-OG 3.13Å
239A48.8Very low67.5Low59 Ų5965.5 Ų65.549%0.48840%0.401SS..SBendtrans-61.1140.517700000111.9D236 E237 D241D236-A239 WeakPolarHBondContact O-CB 3.36Å; D236-A239 PolarHBondContact O-N 3.3Å; E237-A239 VanDerWaalsContact C-N 3.32Å; A239-D241 PolarHBondContact O-N 2.82Å
240D54.1Low67.6Low95 Ų9568 Ų6851%0.50842%0.417SS..  trans-53122.1-176.8-161.711.6000111.4L242 C243 R385D240-L242 PolarHBondContact O-N 3.44Å; D240-C243 PolarHBondContact O-N 3.46Å; D240-C243 PolarHBondContact O-SG 2.93Å; D240-R385 IonicContact OD2-NH2 3.21Å
241D64.1Low68Low59 Ų5967.8 Ų67.832%0.31642%0.416SS..THydrogen-bonded Turntrans-68.127.4-178.6-178.637.5000112.8A239 R331 R335 Y378A239-D241 PolarHBondContact O-N 2.82Å; D241-R331 IonicContact OD1-CZ 3.34Å; D241-R331 IonicContact OD1-NH2 3.89Å; D241-R331 PolarHBondContact OD1-NH2 3.43Å; D241-R331 IonicContact OD2-CZ 3.61Å; D241-R331 IonicContact OD2-NE 2.78Å; D241-R331 PolarHBondContact OD2-NE 3.29Å; D241-R331 IonicContact OD2-NH2 2.79Å; D241-R331 PolarHBondContact OD2-NH2 3.46Å; D241-R331 VanDerWaalsContact OD2-NH2 3.13Å; D241-R335 PolarHBondContact O-NE 2.63Å; D241-R335 PolarHBondContact O-NH2 2.68Å; D241-R335 IonicContact OD1-NH2 2.65Å; D241-R335 PolarHBondContact OD1-NH2 3.17Å; D241-Y378 PolarHBondContact OD2-OH 2.93Å
242L63Low68.8Low8 Ų866.5 Ų66.54%0.04240%0.403CS..THydrogen-bonded Turntrans-122.89.7178.2-68.7169.3000112.1D240 A334 T338 Y378 T381D240-L242 PolarHBondContact O-N 3.44Å; L242-A334 HydrophobicContact CD2-CB 3.96Å; L242-T338 HydrophobicContact CB-CG2 4.34Å; L242-T338 VanDerWaalsContact O-CG2 3.3Å; L242-T338 WeakPolarHBondContact O-CG2 3.44Å; L242-Y378 HydrophobicContact CD2-CD1 4.14Å; L242-Y378 HydrophobicContact CD2-CE1 4.32Å; L242-T381 HydrophobicContact CD1-CG2 3.7Å
243C73.1Confident69.8Low77 Ų7768.9 Ų68.952%0.5241%0.412SS..PPolyproline II helixtrans-67.3137.7-179.6-69.50000113.5D240 R335D240-C243 PolarHBondContact O-N 3.46Å; D240-C243 PolarHBondContact O-SG 2.93Å; C243-R335 PolarHBondContact O-NH1 3.27Å
244T80.2Confident71.3Confident45 Ų4565.3 Ų65.328%0.27639%0.386SS..PPolyproline II helixtrans-70.1137.117557.90000111.8S288 N339T244-S288 CarbonylContact C-O 3.57Å; T244-S288 VanDerWaalsContact CA-O 3.28Å; T244-S288 WeakPolarHBondContact CA-O 3.49Å; T244-N339 HydrophobicContact CG2-CB 4.43Å
245V82.6Confident73Confident18 Ų1862.3 Ų62.311%0.10936%0.364CS..BIsolated β-bridgetrans-76.2126.7173.9-1740000109.5L226 F230 I247 S288 R290L226-V245 WeakPolarHBondContact O-CG1 3.34Å; F230-V245 HydrophobicContact CD2-CG1 3.85Å; F230-V245 HydrophobicContact CE2-CG1 3.62Å; V245-I247 VanDerWaalsContact C-N 3.32Å; V245-I247 HydrophobicContact CB-CG1 4.45Å; V245-I247 HydrophobicContact CG1-CD1 3.57Å; V245-I247 HydrophobicContact CG1-CG1 3.85Å; V245-I247 PolarHBondContact O-N 3.31Å; V245-S288 PolarHBondContact N-O 2.76Å; V245-R290 PolarHBondContact O-N 3.42Å; V245-R290 VanDerWaalsContact O-N 3.08Å
246Q82.8Confident74.7Confident57 Ų5760.6 Ų60.627%0.26634%0.343SS..  trans-94.160-174.1-61-81.5-1.900111F230 L231F230-Q246 WeakPolarHBondContact CB-O 3.36Å; L231-Q246 HydrophobicContact CD1-CB 4.09Å; L231-Q246 HydrophobicContact CD1-CG 3.65Å; L231-Q246 HydrophobicContact CD2-CB 4.41Å; L231-Q246 HydrophobicContact CG-CB 3.94Å; L231-Q246 HydrophobicContact CG-CG 4.08Å
247I87.2Confident76.5Confident13 Ų1360.4 Ų60.47%0.06734%0.34CS..  trans-55.9133.6-179.9-60.7-66000110.8L226 F230 V245 W251 F255 T289 L293L226-I247 HydrophobicContact CD2-CD1 4.45Å; F230-I247 HydrophobicContact CD2-CD1 4.29Å; F230-I247 HydrophobicContact CE1-CD1 4.46Å; F230-I247 HydrophobicContact CE2-CD1 3.52Å; F230-I247 HydrophobicContact CZ-CD1 3.6Å; V245-I247 VanDerWaalsContact C-N 3.32Å; V245-I247 HydrophobicContact CB-CG1 4.45Å; V245-I247 HydrophobicContact CG1-CD1 3.57Å; V245-I247 HydrophobicContact CG1-CG1 3.85Å; V245-I247 PolarHBondContact O-N 3.31Å; I247-W251 HydrophobicContact CD1-CE3 4.25Å; I247-W251 HydrophobicContact CD1-CZ3 4.35Å; I247-W251 HydrophobicContact CG2-CB 3.53Å; I247-W251 HydrophobicContact CG2-CD2 4.19Å; I247-W251 HydrophobicContact CG2-CE3 3.96Å; I247-W251 HydrophobicContact CG2-CG 4.07Å; I247-F255 HydrophobicContact CD1-CZ 3.94Å; I247-F255 HydrophobicContact CG1-CE1 4.44Å; I247-F255 HydrophobicContact CG1-CE2 4.44Å; I247-F255 HydrophobicContact CG1-CZ 3.9Å; I247-F255 HydrophobicContact CG2-CD2 4.47Å; I247-F255 HydrophobicContact CG2-CE2 3.79Å; I247-F255 HydrophobicContact CG2-CZ 4.11Å; I247-T289 HydrophobicContact CB-CG2 4.13Å; I247-T289 HydrophobicContact CG1-CG2 3.82Å; I247-L293 HydrophobicContact CB-CD2 4.24Å; I247-L293 HydrophobicContact CG2-CD2 4.19Å
248P87.5Confident77.9Confident21 Ų2153.5 Ų53.514%0.13631%0.312CS..  trans-57.8145175.7-26.635.2000112.7R181 F230 T250 W251R181-P248 HydrophobicContact CG-CG 4.21Å; F230-P248 HydrophobicContact CD1-CG 3.73Å; F230-P248 HydrophobicContact CE1-CG 4.19Å; P248-T250 PolarHBondContact O-N 2.96Å; P248-T250 VanDerWaalsContact O-N 3.13Å; P248-W251 WeakPolarHBondContact O-CB 3.34Å; P248-W251 PolarHBondContact O-N 3.39Å
249T85.6Confident79.8Confident113 Ų11354.7 Ų54.769%0.69331%0.307SS*.G310 helixtrans-59.3-28.7179.250.50000113.2W251 R252 L293T249-W251 PolarHBondContact O-N 3.35Å; T249-R252 WeakPolarHBondContact O-CB 3.27Å; T249-R252 PolarHBondContact O-N 2.9Å; T249-R252 VanDerWaalsContact O-N 3.15Å; T249-L293 HydrophobicContact CG2-CD1 4.27Å
250T87Confident81.8Confident85 Ų8552.2 Ų52.252%0.52129%0.286SS..G310 helixtrans-64.5-18.1175.954.50000113.5K186 P248K186-T250 WeakPolarHBondContact CE-O 3.38Å; K186-T250 PolarHBondContact NZ-O 3.49Å; P248-T250 PolarHBondContact O-N 2.96Å; P248-T250 VanDerWaalsContact O-N 3.13Å
251W90.3Very high83.6Confident2 Ų247.8 Ų47.81%0.00826%0.262CS..G310 helixtrans-91.3-11.3178.1-68.532.9000112.6L185 K186 L189 F230 I247 P248 T249 T253 I254 F255L185-W251 HydrophobicContact CB-CZ2 4.05Å; L185-W251 HydrophobicContact CD2-CH2 3.87Å; L185-W251 HydrophobicContact CD2-CZ2 3.95Å; L185-W251 HydrophobicContact CG-CH2 3.7Å; L185-W251 HydrophobicContact CG-CZ2 3.71Å; K186-W251 HydrophobicContact CB-CZ2 4.12Å; K186-W251 HydrophobicContact CG-CD2 4.47Å; K186-W251 HydrophobicContact CG-CG 4.28Å; L189-W251 HydrophobicContact CB-CH2 4.43Å; L189-W251 HydrophobicContact CB-CZ3 4.5Å; L189-W251 HydrophobicContact CD2-CE3 3.6Å; L189-W251 HydrophobicContact CD2-CH2 4.07Å; L189-W251 HydrophobicContact CD2-CZ3 3.34Å; L189-W251 HydrophobicContact CG-CZ3 4.5Å; F230-W251 AromaticContact CE1-CH2 3.78Å; F230-W251 HydrophobicContact CE1-CH2 3.78Å; F230-W251 HydrophobicContact CE1-CZ2 4.03Å; F230-W251 HydrophobicContact CE1-CZ3 4.07Å; F230-W251 AromaticContact CZ-CH2 3.91Å; F230-W251 HydrophobicContact CZ-CH2 3.91Å; F230-W251 AromaticContact CZ-CZ3 3.88Å; F230-W251 HydrophobicContact CZ-CZ3 3.88Å; I247-W251 HydrophobicContact CD1-CE3 4.25Å; I247-W251 HydrophobicContact CD1-CZ3 4.35Å; I247-W251 HydrophobicContact CG2-CB 3.53Å; I247-W251 HydrophobicContact CG2-CD2 4.19Å; I247-W251 HydrophobicContact CG2-CE3 3.96Å; I247-W251 HydrophobicContact CG2-CG 4.07Å; P248-W251 WeakPolarHBondContact O-CB 3.34Å; P248-W251 PolarHBondContact O-N 3.39Å; T249-W251 PolarHBondContact O-N 3.35Å; W251-T253 PolarHBondContact O-N 2.87Å; W251-I254 HydrophobicContact CB-CD1 4.49Å; W251-I254 WeakPolarHBondContact O-CB 3.49Å; W251-I254 PolarHBondContact O-N 3.28Å; W251-F255 HydrophobicContact CB-CE2 4.24Å; W251-F255 HydrophobicContact CE3-CE2 4.19Å; W251-F255 WeakPolarHBondContact O-CD2 3.32Å
252R89.7Confident84.9Confident86 Ų8648.1 Ų48.133%0.32526%0.264SS..Hα-helixtrans-46.4-39-176.7177177.8167.4-173.8-14.2113.2T249 I254 F255 L256 L293 E298T249-R252 WeakPolarHBondContact O-CB 3.27Å; T249-R252 PolarHBondContact O-N 2.9Å; T249-R252 VanDerWaalsContact O-N 3.15Å; R252-I254 VanDerWaalsContact C-N 3.33Å; R252-I254 PolarHBondContact O-N 2.93Å; R252-F255 PolarHBondContact O-N 3.39Å; R252-L256 HydrophobicContact CG-CD1 3.76Å; R252-L256 HydrophobicContact CG-CG 4.25Å; R252-L256 WeakPolarHBondContact O-CG 3.46Å; R252-L256 PolarHBondContact O-N 3.28Å; R252-L293 HydrophobicContact CB-CD1 4.09Å; R252-L293 HydrophobicContact CB-CG 4.25Å; R252-L293 WeakPolarHBondContact CD-O 3.16Å; R252-L293 HydrophobicContact CG-CG 4.4Å; R252-E298 IonicContact CZ-OE1 2.88Å; R252-E298 IonicContact CZ-OE2 2.66Å; R252-E298 IonicContact NE-OE1 3.13Å; R252-E298 IonicContact NE-OE2 3.57Å; R252-E298 PolarHBondContact NE-OE2 3.39Å; R252-E298 IonicContact NH2-OE1 3.48Å; R252-E298 PolarHBondContact NH2-OE1 3.06Å; R252-E298 IonicContact NH2-OE2 3.6Å; R252-E298 PolarHBondContact NH2-OE2 2.85Å
253T88.9Confident86.3Confident84 Ų8448.1 Ų48.152%0.51526%0.264SS..Hα-helixtrans-59.8-39.9-18056.30000112.8W251 F255 L256 E257W251-T253 PolarHBondContact O-N 2.87Å; T253-F255 VanDerWaalsContact C-N 3.29Å; T253-F255 PolarHBondContact O-N 3.41Å; T253-L256 PolarHBondContact O-N 3.08Å; T253-E257 PolarHBondContact O-N 3.4Å
254I89.2Confident87.4Confident13 Ų1344.5 Ų44.57%0.06724%0.239CC..Hα-helixtrans-62.6-38.7-178.9-57.4170.8000110.8K186 L189 V190 W251 R252 T260K186-I254 HydrophobicContact CG-CD1 4.03Å; L189-I254 HydrophobicContact CD2-CD1 4.43Å; V190-I254 HydrophobicContact CG2-CD1 3.65Å; V190-I254 HydrophobicContact CG2-CG1 4.27Å; W251-I254 HydrophobicContact CB-CD1 4.49Å; W251-I254 WeakPolarHBondContact O-CB 3.49Å; W251-I254 PolarHBondContact O-N 3.28Å; R252-I254 VanDerWaalsContact C-N 3.33Å; R252-I254 PolarHBondContact O-N 2.93Å; I254-T260 HydrophobicContact CG2-CG2 4.42Å; I254-T260 WeakPolarHBondContact O-CB 3.35Å; I254-T260 PolarHBondContact O-OG1 3.39Å
255F88.7Confident88Confident3 Ų342.5 Ų42.51%0.01323%0.227CC..Hα-helixtrans-79.4-24-178.4-70.3-106.3000112.6L226 I247 W251 R252 T253 F286 T289 F294 Y302L226-F255 HydrophobicContact CD2-CZ 3.95Å; I247-F255 HydrophobicContact CD1-CZ 3.94Å; I247-F255 HydrophobicContact CG1-CE1 4.44Å; I247-F255 HydrophobicContact CG1-CE2 4.44Å; I247-F255 HydrophobicContact CG1-CZ 3.9Å; I247-F255 HydrophobicContact CG2-CD2 4.47Å; I247-F255 HydrophobicContact CG2-CE2 3.79Å; I247-F255 HydrophobicContact CG2-CZ 4.11Å; W251-F255 HydrophobicContact CB-CE2 4.24Å; W251-F255 HydrophobicContact CE3-CE2 4.19Å; W251-F255 WeakPolarHBondContact O-CD2 3.32Å; R252-F255 PolarHBondContact O-N 3.39Å; T253-F255 VanDerWaalsContact C-N 3.29Å; T253-F255 PolarHBondContact O-N 3.41Å; F255-F286 AromaticContact CD1-CD1 3.61Å; F255-F286 HydrophobicContact CD1-CD1 3.61Å; F255-F286 AromaticContact CD1-CE1 3.99Å; F255-F286 HydrophobicContact CD1-CE1 3.99Å; F255-F286 AromaticContact CE1-CD1 3.31Å; F255-F286 HydrophobicContact CE1-CD1 3.31Å; F255-F286 AromaticContact CE1-CE1 3.61Å; F255-F286 HydrophobicContact CE1-CE1 3.61Å; F255-F286 HydrophobicContact CE1-CG 4.44Å; F255-F286 HydrophobicContact CZ-CD1 4.14Å; F255-F286 HydrophobicContact CZ-CE1 4Å; F255-T289 HydrophobicContact CD1-CG2 4.21Å; F255-T289 HydrophobicContact CE1-CG2 4.15Å; F255-T289 WeakPolarHBondContact CE1-OG1 3.27Å; F255-F294 HydrophobicContact CB-CE1 3.88Å; F255-F294 HydrophobicContact CB-CZ 3.93Å; F255-Y302 HydrophobicContact CB-CE2 4.2Å; F255-Y302 HydrophobicContact CD1-CE2 4.49Å; F255-Y302 VanDerWaalsContact O-CD2 3.24Å; F255-Y302 WeakPolarHBondContact O-CD2 3.5Å; F255-Y302 VanDerWaalsContact O-CE2 3.23Å; F255-Y302 WeakPolarHBondContact O-CE2 3.34Å
256L87Confident88.4Confident46 Ų4644.2 Ų44.224%0.24124%0.235CC..Hα-helixtrans-82.7-17.6178.2-69.8177.5000113.4R252 T253 P258 F294 E298R252-L256 HydrophobicContact CG-CD1 3.76Å; R252-L256 HydrophobicContact CG-CG 4.25Å; R252-L256 WeakPolarHBondContact O-CG 3.46Å; R252-L256 PolarHBondContact O-N 3.28Å; T253-L256 PolarHBondContact O-N 3.08Å; L256-P258 WeakPolarHBondContact O-CD 3.42Å; L256-F294 HydrophobicContact CD2-CD1 3.72Å; L256-F294 HydrophobicContact CD2-CE1 3.99Å; L256-F294 HydrophobicContact CG-CD1 4.31Å; L256-F294 HydrophobicContact CG-CE1 4.34Å; L256-E298 HydrophobicContact CD1-CG 4.2Å; L256-E298 WeakPolarHBondContact CD1-OE1 3.32Å; L256-E298 HydrophobicContact CD2-CB 3.74Å; L256-E298 HydrophobicContact CD2-CG 3.9Å
257E85.9Confident88.8Confident90 Ų9041.5 Ų41.542%0.42122%0.223SC..  trans-66116.5172.3-75.5174.5-15500110T253 E259 T260T253-E257 PolarHBondContact O-N 3.4Å; E257-E259 PolarHBondContact O-N 3.4Å; E257-T260 WeakPolarHBondContact O-CB 3.17Å; E257-T260 PolarHBondContact O-N 3.5Å; E257-T260 VanDerWaalsContact O-N 3.09Å; E257-T260 PolarHBondContact O-OG1 3Å
258P75.9Confident89.1Confident54 Ų5441.3 Ų41.335%0.35122%0.221SC..Hα-helixtrans-58.1-35.7-178.2-22.532.6000112.6L256 T260 L261 D262L256-P258 WeakPolarHBondContact O-CD 3.42Å; P258-T260 PolarHBondContact O-N 3.01Å; P258-T260 VanDerWaalsContact O-N 3.14Å; P258-L261 PolarHBondContact O-N 2.86Å; P258-D262 PolarHBondContact O-N 3.26Å
259E85.2Confident89.3Confident121 Ų12142.8 Ų42.857%0.56523%0.226SC*.Hα-helixtrans-58.9-25.7179.3-61.7178.4-173.400113.4K197 E257 L263K197-E259 IonicContact NZ-OE2 3.38Å; K197-E259 PolarHBondContact NZ-OE2 3.42Å; E257-E259 PolarHBondContact O-N 3.4Å; E259-L263 WeakPolarHBondContact O-CB 3.49Å; E259-L263 PolarHBondContact O-N 3.19Å
260T89.3Confident89.4Confident6 Ų640 Ų404%0.03721%0.211CC..Hα-helixtrans-68.7-53.2-177.5-56.90000110.7I254 E257 P258 L263 F264 F286I254-T260 HydrophobicContact CG2-CG2 4.42Å; I254-T260 WeakPolarHBondContact O-CB 3.35Å; I254-T260 PolarHBondContact O-OG1 3.39Å; E257-T260 WeakPolarHBondContact O-CB 3.17Å; E257-T260 PolarHBondContact O-N 3.5Å; E257-T260 VanDerWaalsContact O-N 3.09Å; E257-T260 PolarHBondContact O-OG1 3Å; P258-T260 PolarHBondContact O-N 3.01Å; P258-T260 VanDerWaalsContact O-N 3.14Å; T260-L263 WeakPolarHBondContact O-CB 3.35Å; T260-L263 PolarHBondContact O-N 2.97Å; T260-F264 HydrophobicContact CG2-CE2 4.29Å; T260-F264 WeakPolarHBondContact O-CD2 3.5Å; T260-F286 HydrophobicContact CG2-CE1 3.96Å; T260-F286 HydrophobicContact CG2-CZ 3.97Å
261L91.8Very high89.4Confident3 Ų336.7 Ų36.72%0.01619%0.19CC..Hα-helixtrans-65.7-42.5177.2-73.2-179.9000111.2P258 L263 F264 F265 L283 F286 Y302 N305 L306P258-L261 PolarHBondContact O-N 2.86Å; L261-L263 PolarHBondContact O-N 3.41Å; L261-F264 PolarHBondContact O-N 3.1Å; L261-F264 VanDerWaalsContact O-N 3.14Å; L261-F265 HydrophobicContact CB-CD2 4.33Å; L261-F265 HydrophobicContact CB-CE2 4.22Å; L261-F265 WeakPolarHBondContact O-CD2 3.36Å; L261-F265 PolarHBondContact O-N 2.89Å; L261-L283 HydrophobicContact CD2-CD2 4.35Å; L261-F286 HydrophobicContact CD2-CB 3.85Å; L261-F286 HydrophobicContact CD2-CD1 4.34Å; L261-F286 HydrophobicContact CD2-CG 4Å; L261-Y302 HydrophobicContact CD1-CD2 3.88Å; L261-Y302 HydrophobicContact CD1-CE2 3.55Å; L261-Y302 HydrophobicContact CD2-CE2 4.24Å; L261-Y302 HydrophobicContact CG-CE2 3.98Å; L261-N305 HydrophobicContact CD1-CB 3.78Å; L261-L306 HydrophobicContact CD1-CD2 3.88Å; L261-L306 HydrophobicContact CD1-CG 4.13Å; L261-L306 HydrophobicContact CD2-CD2 3.87Å
262D92.1Very high89.3Confident66 Ų6638.4 Ų38.435%0.35320%0.202SC..Hα-helixtrans-58.9-37.1179-72.5-26.6000111.5P258 N266P258-D262 PolarHBondContact O-N 3.26Å; D262-N266 VanDerWaalsContact O-CB 3.24Å; D262-N266 WeakPolarHBondContact O-CB 3.41Å; D262-N266 PolarHBondContact O-N 3.4Å; D262-N266 PolarHBondContact O-ND2 3.24Å
263L92.7Very high89.1Confident8 Ų837.5 Ų37.54%0.04221%0.207CC..Hα-helixtrans-56-52.1174175.265.4000111.6L196 K197 L200 E259 T260 L261 N266 L267L196-L263 HydrophobicContact CB-CD1 4.4Å; L196-L263 HydrophobicContact CB-CD2 4.06Å; K197-L263 HydrophobicContact CG-CD1 4.08Å; K197-L263 HydrophobicContact CG-CD2 3.79Å; L200-L263 HydrophobicContact CD2-CD1 3.85Å; E259-L263 WeakPolarHBondContact O-CB 3.49Å; E259-L263 PolarHBondContact O-N 3.19Å; T260-L263 WeakPolarHBondContact O-CB 3.35Å; T260-L263 PolarHBondContact O-N 2.97Å; L261-L263 PolarHBondContact O-N 3.41Å; L263-N266 PolarHBondContact O-N 3.36Å; L263-L267 HydrophobicContact CD1-CD1 4.09Å; L263-L267 HydrophobicContact CD1-CG 4.33Å; L263-L267 HydrophobicContact CG-CD1 3.98Å; L263-L267 WeakPolarHBondContact O-CB 3.4Å; L263-L267 VanDerWaalsContact O-CG 3.23Å; L263-L267 WeakPolarHBondContact O-CG 3.25Å; L263-L267 PolarHBondContact O-N 3.13Å
264F94.9Very high89Confident0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-71.7-35.6-176.9-68.1-82000112.9L196 L219 V222 T260 L261 L267 Y268 C282 L283 F286L196-F264 HydrophobicContact CD1-CE1 3.83Å; L196-F264 HydrophobicContact CD1-CZ 4.03Å; L219-F264 HydrophobicContact CD2-CD1 4.34Å; L219-F264 HydrophobicContact CD2-CE1 4.11Å; V222-F264 HydrophobicContact CG1-CE1 3.9Å; V222-F264 HydrophobicContact CG1-CZ 3.69Å; V222-F264 HydrophobicContact CG2-CZ 4.29Å; T260-F264 HydrophobicContact CG2-CE2 4.29Å; T260-F264 WeakPolarHBondContact O-CD2 3.5Å; L261-F264 PolarHBondContact O-N 3.1Å; L261-F264 VanDerWaalsContact O-N 3.14Å; F264-L267 HydrophobicContact CD1-CD1 4.26Å; F264-L267 PolarHBondContact O-N 3.1Å; F264-Y268 PolarHBondContact O-N 3.21Å; F264-C282 HydrophobicContact CD1-CB 3.72Å; F264-C282 HydrophobicContact CE1-CB 3.83Å; F264-C282 HydrophobicContact CG-CB 4.45Å; F264-L283 HydrophobicContact CB-CD1 4.4Å; F264-L283 HydrophobicContact CB-CD2 3.68Å; F264-L283 HydrophobicContact CB-CG 3.83Å; F264-F286 HydrophobicContact CD1-CE2 4.42Å; F264-F286 HydrophobicContact CD2-CD2 4.11Å; F264-F286 AromaticContact CD2-CE2 3.36Å; F264-F286 HydrophobicContact CD2-CE2 3.36Å; F264-F286 AromaticContact CD2-CZ 3.96Å; F264-F286 HydrophobicContact CD2-CZ 3.96Å; F264-F286 HydrophobicContact CE1-CE2 4.33Å; F264-F286 HydrophobicContact CE2-CD2 4.42Å; F264-F286 AromaticContact CE2-CE2 3.29Å; F264-F286 HydrophobicContact CE2-CE2 3.29Å; F264-F286 AromaticContact CE2-CZ 3.51Å; F264-F286 HydrophobicContact CE2-CZ 3.51Å; F264-F286 AromaticContact CG-CE2 4Å; F264-F286 HydrophobicContact CG-CE2 4Å; F264-F286 AromaticContact CZ-CE2 3.82Å; F264-F286 HydrophobicContact CZ-CE2 3.82Å; F264-F286 HydrophobicContact CZ-CZ 4.14Å
265F94.2Very high89Confident4 Ų438.8 Ų38.82%0.01821%0.21CC..Hα-helixtrans-64.3-40.2171.3-74.1-62.3000112L261 Y268 H269 L283 G309 I313 F332L261-F265 HydrophobicContact CB-CD2 4.33Å; L261-F265 HydrophobicContact CB-CE2 4.22Å; L261-F265 WeakPolarHBondContact O-CD2 3.36Å; L261-F265 PolarHBondContact O-N 2.89Å; F265-Y268 PolarHBondContact O-N 3.41Å; F265-H269 PolarHBondContact O-CD2 3.39Å; F265-H269 PolarHBondContact O-N 2.87Å; F265-L283 HydrophobicContact CD1-CD1 3.58Å; F265-L283 HydrophobicContact CD1-CD2 4.2Å; F265-L283 HydrophobicContact CD2-CD2 4.09Å; F265-L283 HydrophobicContact CE1-CD1 3.57Å; F265-L283 HydrophobicContact CE1-CD2 3.93Å; F265-L283 HydrophobicContact CE1-CG 4.35Å; F265-L283 HydrophobicContact CE2-CD2 3.81Å; F265-L283 HydrophobicContact CG-CD1 4.23Å; F265-L283 HydrophobicContact CG-CD2 4.25Å; F265-L283 HydrophobicContact CZ-CD1 4.23Å; F265-L283 HydrophobicContact CZ-CD2 3.71Å; F265-G309 VanDerWaalsContact CE1-CA 3.47Å; F265-I313 HydrophobicContact CD1-CD1 4.13Å; F265-I313 HydrophobicContact CE1-CD1 4.04Å; F265-F332 AromaticContact CE1-CE1 3.9Å; F265-F332 HydrophobicContact CE1-CE1 3.9Å; F265-F332 HydrophobicContact CE1-CZ 4.35Å; F265-F332 HydrophobicContact CZ-CE1 4.01Å; F265-F332 AromaticContact CZ-CZ 3.98Å; F265-F332 HydrophobicContact CZ-CZ 3.98Å
266N91.5Very high89.2Confident53 Ų5338.8 Ų38.828%0.28321%0.21SC..Hα-helixtrans-67.3-39.2175.9-71.3-27.4000112.1L200 D262 L263 H269 S270 R312L200-N266 HydrophobicContact CD2-CB 4.07Å; D262-N266 VanDerWaalsContact O-CB 3.24Å; D262-N266 WeakPolarHBondContact O-CB 3.41Å; D262-N266 PolarHBondContact O-N 3.4Å; D262-N266 PolarHBondContact O-ND2 3.24Å; L263-N266 PolarHBondContact O-N 3.36Å; N266-H269 PolarHBondContact O-N 3.07Å; N266-S270 WeakPolarHBondContact O-CB 3.45Å; N266-S270 PolarHBondContact O-N 3.38Å; N266-S270 PolarHBondContact O-OG 3.41Å; N266-R312 PolarHBondContact OD1-NH1 3.41Å
267L91.4Very high89.6Confident1 Ų139.6 Ų39.61%0.00521%0.213CC..Hα-helixtrans-61.1-46.5174-73.4167.7000111L196 L200 L219 L263 F264 H269 S270 L271 A279L196-L267 HydrophobicContact CB-CD1 4.27Å; L196-L267 HydrophobicContact CD1-CD1 3.98Å; L196-L267 HydrophobicContact CD2-CD1 4.22Å; L196-L267 HydrophobicContact CG-CD1 4.37Å; L200-L267 HydrophobicContact CD1-CD2 4.18Å; L219-L267 HydrophobicContact CD2-CD1 4.31Å; L263-L267 HydrophobicContact CD1-CD1 4.09Å; L263-L267 HydrophobicContact CD1-CG 4.33Å; L263-L267 HydrophobicContact CG-CD1 3.98Å; L263-L267 WeakPolarHBondContact O-CB 3.4Å; L263-L267 VanDerWaalsContact O-CG 3.23Å; L263-L267 WeakPolarHBondContact O-CG 3.25Å; L263-L267 PolarHBondContact O-N 3.13Å; F264-L267 HydrophobicContact CD1-CD1 4.26Å; F264-L267 PolarHBondContact O-N 3.1Å; L267-H269 VanDerWaalsContact C-N 3.28Å; L267-H269 PolarHBondContact O-N 2.86Å; L267-S270 PolarHBondContact O-N 2.82Å; L267-S270 VanDerWaalsContact O-N 3.14Å; L267-L271 HydrophobicContact CB-CD1 3.87Å; L267-L271 HydrophobicContact CD2-CD1 3.95Å; L267-L271 HydrophobicContact CD2-CG 4.45Å; L267-L271 HydrophobicContact CG-CD1 4.48Å; L267-L271 WeakPolarHBondContact O-CB 3.34Å; L267-L271 WeakPolarHBondContact O-CD1 3.43Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 3.48Å; L267-A279 HydrophobicContact CB-CB 4.12Å
268Y92.7Very high90Very high8 Ų836.7 Ų36.73%0.03120%0.2CC..Hα-helixtrans-53.6-45176.1170.6-100.3000112.4F264 F265 S276 L280 I313 N325F264-Y268 PolarHBondContact O-N 3.21Å; F265-Y268 PolarHBondContact O-N 3.41Å; Y268-S276 WeakPolarHBondContact O-CB 3.31Å; Y268-L280 HydrophobicContact CD2-CB 4.21Å; Y268-L280 HydrophobicContact CD2-CD2 4.39Å; Y268-L280 HydrophobicContact CE2-CD2 4.01Å; Y268-I313 HydrophobicContact CD1-CD1 4.08Å; Y268-I313 HydrophobicContact CD1-CG1 3.91Å; Y268-I313 HydrophobicContact CE1-CB 4.38Å; Y268-I313 HydrophobicContact CE1-CD1 4.07Å; Y268-I313 HydrophobicContact CE1-CG1 3.69Å; Y268-I313 HydrophobicContact CE1-CG2 3.99Å; Y268-N325 HydrophobicContact CE2-CB 4.43Å
269H90.5Very high90.9Very high53 Ų5334.1 Ų34.125%0.24518%0.183CC..Hα-helixtrans-77.7-18.1-178.7-67.5-53.8000115F265 N266 L267 R312F265-H269 PolarHBondContact O-CD2 3.39Å; F265-H269 PolarHBondContact O-N 2.87Å; N266-H269 PolarHBondContact O-N 3.07Å; L267-H269 VanDerWaalsContact C-N 3.28Å; L267-H269 PolarHBondContact O-N 2.86Å; H269-R312 PolarHBondContact CD2-NE 2.83Å; H269-R312 VanDerWaalsContact NE2-CD 3.31Å; H269-R312 WeakPolarHBondContact NE2-CD 3.13Å; H269-R312 WeakPolarHBondContact NE2-CG 3.3Å; H269-R312 PolarHBondContact NE2-NE 2.84Å
270S87.8Confident91.4Very high54 Ų5428.3 Ų28.338%0.37816%0.156SC..Hα-helixtrans-102.4-15-174.7-50.20000113.3N266 L267N266-S270 WeakPolarHBondContact O-CB 3.45Å; N266-S270 PolarHBondContact O-N 3.38Å; N266-S270 PolarHBondContact O-OG 3.41Å; L267-S270 PolarHBondContact O-N 2.82Å; L267-S270 VanDerWaalsContact O-N 3.14Å
271L88.8Confident91.6Very high16 Ų1628.6 Ų28.68%0.08416%0.158CC..SBendtrans-102.9153.6-172-67.9175.5000112.6L204 L206 V215 L219 L267 L275L204-L271 HydrophobicContact CD1-CD2 4.18Å; L206-L271 HydrophobicContact CD2-CD2 4.44Å; V215-L271 HydrophobicContact CG1-CD1 3.9Å; V215-L271 HydrophobicContact CG1-CD2 4.05Å; L219-L271 HydrophobicContact CD1-CD1 4.06Å; L267-L271 HydrophobicContact CB-CD1 3.87Å; L267-L271 HydrophobicContact CD2-CD1 3.95Å; L267-L271 HydrophobicContact CD2-CG 4.45Å; L267-L271 HydrophobicContact CG-CD1 4.48Å; L267-L271 WeakPolarHBondContact O-CB 3.34Å; L267-L271 WeakPolarHBondContact O-CD1 3.43Å; L267-L271 WeakPolarHBondContact O-CG 3.44Å; L267-L271 PolarHBondContact O-N 3.48Å; L271-L275 HydrophobicContact CB-CB 3.94Å; L271-L275 HydrophobicContact CD1-CB 4.05Å; L271-L275 HydrophobicContact CD2-CD1 4.23Å; L271-L275 HydrophobicContact CG-CB 4.4Å
272P87.7Confident91.8Very high38 Ų3828.4 Ų28.425%0.24716%0.158CC..  trans-68.1161.7173.629.2-36.2000112.1L274 L275 S276P272-L274 PolarHBondContact O-N 2.89Å; P272-L274 VanDerWaalsContact O-N 3.13Å; P272-L275 HydrophobicContact CG-CB 4.37Å; P272-L275 HydrophobicContact CG-CD1 3.95Å; P272-L275 HydrophobicContact CG-CG 4.16Å; P272-L275 PolarHBondContact O-N 3.01Å; P272-S276 PolarHBondContact O-N 3.38Å; P272-S276 PolarHBondContact O-OG 3.48Å
273P85.5Confident92Very high66 Ų6625.3 Ų25.343%0.42914%0.141SC..Hα-helixtrans-47.7-46.9-169.8-31.835.7000116.1L275 S276 Q277 D322P273-L275 VanDerWaalsContact C-N 3.29Å; P273-L275 PolarHBondContact O-N 3.38Å; P273-S276 VanDerWaalsContact CA-OG 3.26Å; P273-S276 WeakPolarHBondContact CA-OG 3.39Å; P273-S276 PolarHBondContact O-N 2.99Å; P273-S276 PolarHBondContact O-OG 2.92Å; P273-Q277 WeakPolarHBondContact O-CB 3.45Å; P273-Q277 PolarHBondContact O-N 3.09Å; P273-D322 HydrophobicContact CB-CB 4.05Å
274L85.7Confident92.1Very high118 Ų11824.9 Ų24.962%0.61814%0.139SC*.Hα-helixtrans-60.6-37.2179.9-178.664.8000112.9P272P272-L274 PolarHBondContact O-N 2.89Å; P272-L274 VanDerWaalsContact O-N 3.13Å
275L90.3Very high92Very high7 Ų725.5 Ų25.54%0.03714%0.141CC..Hα-helixtrans-87.3-35.6-178.7-60.3-176.9000111.5Q212 V215 M216 L219 L271 P272 P273 Q277 L278 A279Q212-L275 HydrophobicContact CB-CD1 4.33Å; Q212-L275 HydrophobicContact CG-CD1 4.44Å; V215-L275 HydrophobicContact CB-CD1 4.49Å; V215-L275 HydrophobicContact CG1-CD1 4.29Å; M216-L275 HydrophobicContact CB-CD2 3.52Å; M216-L275 HydrophobicContact CG-CD2 3.92Å; L219-L275 WeakPolarHBondContact CD1-O 3.26Å; L271-L275 HydrophobicContact CB-CB 3.94Å; L271-L275 HydrophobicContact CD1-CB 4.05Å; L271-L275 HydrophobicContact CD2-CD1 4.23Å; L271-L275 HydrophobicContact CG-CB 4.4Å; P272-L275 HydrophobicContact CG-CB 4.37Å; P272-L275 HydrophobicContact CG-CD1 3.95Å; P272-L275 HydrophobicContact CG-CG 4.16Å; P272-L275 PolarHBondContact O-N 3.01Å; P273-L275 VanDerWaalsContact C-N 3.29Å; P273-L275 PolarHBondContact O-N 3.38Å; L275-Q277 PolarHBondContact O-N 2.9Å; L275-L278 PolarHBondContact O-N 3.35Å; L275-A279 PolarHBondContact O-N 3.46Å; L275-A279 VanDerWaalsContact O-N 3.1Å
276S92.6Very high91.9Very high3 Ų325.3 Ų25.32%0.02114%0.141CC..Hα-helixtrans-63-33.5174.668.10000111.2Y268 P272 P273 L278 A279 L280 N325Y268-S276 WeakPolarHBondContact O-CB 3.31Å; P272-S276 PolarHBondContact O-N 3.38Å; P272-S276 PolarHBondContact O-OG 3.48Å; P273-S276 VanDerWaalsContact CA-OG 3.26Å; P273-S276 WeakPolarHBondContact CA-OG 3.39Å; P273-S276 PolarHBondContact O-N 2.99Å; P273-S276 PolarHBondContact O-OG 2.92Å; S276-L278 PolarHBondContact O-N 2.95Å; S276-A279 PolarHBondContact O-N 3.12Å; S276-L280 WeakPolarHBondContact O-CB 3.22Å; S276-L280 PolarHBondContact O-N 2.87Å; S276-N325 VanDerWaalsContact C-OD1 3.28Å; S276-N325 VanDerWaalsContact OG-CG 3.28Å; S276-N325 PolarHBondContact OG-ND2 3.45Å; S276-N325 PolarHBondContact OG-OD1 3.09Å
277Q94.6Very high92Very high62 Ų6222.8 Ų22.829%0.2913%0.127SC..Hα-helixtrans-59.6-47.1174.6-178.4-175.6-9.300110.8P273 L275 A279 L280 S281 N325 E328P273-Q277 WeakPolarHBondContact O-CB 3.45Å; P273-Q277 PolarHBondContact O-N 3.09Å; L275-Q277 PolarHBondContact O-N 2.9Å; Q277-A279 PolarHBondContact O-N 2.67Å; Q277-L280 CarbonylContact O-C 3.58Å; Q277-L280 WeakPolarHBondContact O-CB 3.31Å; Q277-L280 PolarHBondContact O-N 3.36Å; Q277-L280 VanDerWaalsContact O-N 3.16Å; Q277-S281 PolarHBondContact O-N 2.71Å; Q277-S281 PolarHBondContact O-OG 2.81Å; Q277-N325 WeakPolarHBondContact CA-OD1 3.22Å; Q277-N325 PolarHBondContact N-OD1 3.21Å; Q277-E328 HydrophobicContact CG-CG 3.93Å
278L94.4Very high92Very high29 Ų2922.8 Ų22.815%0.15213%0.127CC..Hα-helixtrans-64.7-38.3177.8-68.2173.1000112.4M216 L219 K220 L223 L275 S276 L280 S281 C282M216-L278 HydrophobicContact CG-CD1 3.87Å; L219-L278 HydrophobicContact CB-CB 3.9Å; L219-L278 HydrophobicContact CB-CD1 4.28Å; L219-L278 HydrophobicContact CD1-CB 3.99Å; K220-L278 HydrophobicContact CG-CD1 4.13Å; K220-L278 HydrophobicContact CG-CD2 4.39Å; L223-L278 HydrophobicContact CD2-CD2 4.41Å; L275-L278 PolarHBondContact O-N 3.35Å; S276-L278 PolarHBondContact O-N 2.95Å; L278-L280 VanDerWaalsContact C-N 3.28Å; L278-L280 PolarHBondContact O-N 3.4Å; L278-S281 PolarHBondContact O-N 3.26Å; L278-C282 PolarHBondContact O-N 3.41Å; L278-C282 PolarHBondContact O-SG 2.93Å
279A95.1Very high91.9Very high0 Ų022.5 Ų22.50%013%0.126CC..Hα-helixtrans-61.9-39.6173.800000111.1L219 L267 L275 S276 Q277 C282 L283L219-A279 HydrophobicContact CD1-CB 4.44Å; L219-A279 HydrophobicContact CD2-CB 4.29Å; L267-A279 HydrophobicContact CB-CB 4.12Å; L275-A279 PolarHBondContact O-N 3.46Å; L275-A279 VanDerWaalsContact O-N 3.1Å; S276-A279 PolarHBondContact O-N 3.12Å; Q277-A279 PolarHBondContact O-N 2.67Å; A279-C282 WeakPolarHBondContact O-CB 3.28Å; A279-C282 PolarHBondContact O-N 3.2Å; A279-L283 PolarHBondContact O-N 3.29Å; A279-L283 VanDerWaalsContact O-N 3.1Å
280L95.3Very high91.8Very high0 Ų025.4 Ų25.40%014%0.135CC..Hα-helixtrans-70.5-38.3176.6-16556.6000112.3Y268 S276 Q277 L278 C282 L283 V284 I313 N325 E328 F329 F332Y268-L280 HydrophobicContact CD2-CB 4.21Å; Y268-L280 HydrophobicContact CD2-CD2 4.39Å; Y268-L280 HydrophobicContact CE2-CD2 4.01Å; S276-L280 WeakPolarHBondContact O-CB 3.22Å; S276-L280 PolarHBondContact O-N 2.87Å; Q277-L280 CarbonylContact O-C 3.58Å; Q277-L280 WeakPolarHBondContact O-CB 3.31Å; Q277-L280 PolarHBondContact O-N 3.36Å; Q277-L280 VanDerWaalsContact O-N 3.16Å; L278-L280 VanDerWaalsContact C-N 3.28Å; L278-L280 PolarHBondContact O-N 3.4Å; L280-C282 VanDerWaalsContact C-N 3.27Å; L280-C282 PolarHBondContact O-N 3.28Å; L280-L283 HydrophobicContact CD1-CB 4.3Å; L280-L283 HydrophobicContact CD1-CD1 3.88Å; L280-L283 CarbonylContact O-C 3.58Å; L280-L283 WeakPolarHBondContact O-CA 3.37Å; L280-L283 WeakPolarHBondContact O-CB 3.34Å; L280-L283 PolarHBondContact O-N 2.89Å; L280-V284 WeakPolarHBondContact O-CG2 3.46Å; L280-V284 PolarHBondContact O-N 2.9Å; L280-I313 HydrophobicContact CD1-CD1 4.08Å; L280-N325 VanDerWaalsContact CD2-O 3.24Å; L280-N325 WeakPolarHBondContact CD2-O 3.42Å; L280-E328 HydrophobicContact CB-CB 4.1Å; L280-E328 HydrophobicContact CD2-CB 3.84Å; L280-E328 HydrophobicContact CG-CB 3.83Å; L280-F329 HydrophobicContact CD1-CD2 4.44Å; L280-F329 HydrophobicContact CD2-CB 3.85Å; L280-F332 HydrophobicContact CD1-CD1 4.12Å
281S95Very high91.8Very high11 Ų1125 Ų258%0.07713%0.125CC..Hα-helixtrans-58.9-37.8170.4-62.80000112.6Q277 L278 V284 Q285 E328Q277-S281 PolarHBondContact O-N 2.71Å; Q277-S281 PolarHBondContact O-OG 2.81Å; L278-S281 PolarHBondContact O-N 3.26Å; S281-V284 WeakPolarHBondContact O-CB 3.32Å; S281-V284 PolarHBondContact O-N 2.75Å; S281-Q285 PolarHBondContact O-N 2.9Å; S281-E328 WeakPolarHBondContact CA-OE2 3.39Å; S281-E328 WeakPolarHBondContact CB-OE2 3.33Å; S281-E328 WeakPolarHBondContact OG-CG 3.43Å; S281-E328 PolarHBondContact OG-OE2 2.67Å
282C95.4Very high91.8Very high0 Ų027.9 Ų27.90%015%0.146CC..Hα-helixtrans-62.8-44.8172.1-63.40000110.8V222 L226 F264 L278 A279 L280 V284 Q285 F286V222-C282 HydrophobicContact CG1-CB 4.36Å; L226-C282 HydrophobicContact CD1-CB 4.41Å; F264-C282 HydrophobicContact CD1-CB 3.72Å; F264-C282 HydrophobicContact CE1-CB 3.83Å; F264-C282 HydrophobicContact CG-CB 4.45Å; L278-C282 PolarHBondContact O-N 3.41Å; L278-C282 PolarHBondContact O-SG 2.93Å; A279-C282 WeakPolarHBondContact O-CB 3.28Å; A279-C282 PolarHBondContact O-N 3.2Å; L280-C282 VanDerWaalsContact C-N 3.27Å; L280-C282 PolarHBondContact O-N 3.28Å; C282-V284 VanDerWaalsContact C-N 3.31Å; C282-V284 PolarHBondContact O-N 2.82Å; C282-Q285 PolarHBondContact O-N 2.9Å; C282-F286 HydrophobicContact CB-CD2 4.47Å; C282-F286 HydrophobicContact CB-CE2 4.28Å; C282-F286 WeakPolarHBondContact O-CD2 3.39Å; C282-F286 PolarHBondContact O-N 3.05Å
283L95.4Very high91.8Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-59.7-38175.7-71.2167.5000112.7L261 F264 F265 A279 L280 Q285 F286 A287L261-L283 HydrophobicContact CD2-CD2 4.35Å; F264-L283 HydrophobicContact CB-CD1 4.4Å; F264-L283 HydrophobicContact CB-CD2 3.68Å; F264-L283 HydrophobicContact CB-CG 3.83Å; F265-L283 HydrophobicContact CD1-CD1 3.58Å; F265-L283 HydrophobicContact CD1-CD2 4.2Å; F265-L283 HydrophobicContact CD2-CD2 4.09Å; F265-L283 HydrophobicContact CE1-CD1 3.57Å; F265-L283 HydrophobicContact CE1-CD2 3.93Å; F265-L283 HydrophobicContact CE1-CG 4.35Å; F265-L283 HydrophobicContact CE2-CD2 3.81Å; F265-L283 HydrophobicContact CG-CD1 4.23Å; F265-L283 HydrophobicContact CG-CD2 4.25Å; F265-L283 HydrophobicContact CZ-CD1 4.23Å; F265-L283 HydrophobicContact CZ-CD2 3.71Å; A279-L283 PolarHBondContact O-N 3.29Å; A279-L283 VanDerWaalsContact O-N 3.1Å; L280-L283 HydrophobicContact CD1-CB 4.3Å; L280-L283 HydrophobicContact CD1-CD1 3.88Å; L280-L283 CarbonylContact O-C 3.58Å; L280-L283 WeakPolarHBondContact O-CA 3.37Å; L280-L283 WeakPolarHBondContact O-CB 3.34Å; L280-L283 PolarHBondContact O-N 2.89Å; L283-Q285 VanDerWaalsContact C-N 3.29Å; L283-Q285 PolarHBondContact O-N 3.02Å; L283-F286 PolarHBondContact O-N 3.44Å; L283-A287 WeakPolarHBondContact O-CB 3.41Å; L283-A287 PolarHBondContact O-N 2.94Å
284V94.8Very high92.1Very high0 Ų024.1 Ų24.10%012%0.12CC..Hα-helixtrans-57.2-43.3172.61750000110.8L280 S281 C282 A287 S288 E328 R331 F332 R335L280-V284 WeakPolarHBondContact O-CG2 3.46Å; L280-V284 PolarHBondContact O-N 2.9Å; S281-V284 WeakPolarHBondContact O-CB 3.32Å; S281-V284 PolarHBondContact O-N 2.75Å; C282-V284 VanDerWaalsContact C-N 3.31Å; C282-V284 PolarHBondContact O-N 2.82Å; V284-A287 PolarHBondContact O-N 2.93Å; V284-S288 WeakPolarHBondContact O-CB 3.34Å; V284-S288 PolarHBondContact O-N 3.48Å; V284-S288 PolarHBondContact O-OG 2.66Å; V284-E328 VanDerWaalsContact CG2-O 3.26Å; V284-E328 WeakPolarHBondContact CG2-O 3.39Å; V284-R331 HydrophobicContact CG1-CB 4.2Å; V284-R331 HydrophobicContact CG2-CB 4.11Å; V284-F332 HydrophobicContact CG2-CB 3.82Å; V284-R335 HydrophobicContact CG1-CG 3.97Å
285Q92.9Very high92.3Very high12 Ų1220.6 Ų20.66%0.05611%0.105CC..Hα-helixtrans-71.4-38.8177.8-59.6-49.8-34.300112.8L223 L226 N227 S281 C282 L283 A287 S288 T289L223-Q285 HydrophobicContact CD1-CG 3.82Å; L226-Q285 HydrophobicContact CB-CB 3.7Å; L226-Q285 HydrophobicContact CB-CG 4.04Å; L226-Q285 HydrophobicContact CD1-CB 3.92Å; L226-Q285 HydrophobicContact CG-CB 4.37Å; N227-Q285 VanDerWaalsContact OD1-CG 3.28Å; N227-Q285 WeakPolarHBondContact OD1-CG 3.32Å; N227-Q285 PolarHBondContact OD1-NE2 2.98Å; N227-Q285 VanDerWaalsContact OD1-NE2 3.1Å; N227-Q285 PolarHBondContact OD1-OE1 3.37Å; S281-Q285 PolarHBondContact O-N 2.9Å; C282-Q285 PolarHBondContact O-N 2.9Å; L283-Q285 VanDerWaalsContact C-N 3.29Å; L283-Q285 PolarHBondContact O-N 3.02Å; Q285-A287 VanDerWaalsContact C-N 3.29Å; Q285-A287 PolarHBondContact O-N 3.01Å; Q285-S288 WeakPolarHBondContact O-CB 3.47Å; Q285-S288 PolarHBondContact O-N 3.03Å; Q285-S288 VanDerWaalsContact O-N 3.08Å; Q285-T289 PolarHBondContact O-N 3.13Å; Q285-T289 PolarHBondContact O-OG1 3.39Å
286F93.3Very high92.1Very high1 Ų124 Ų240%0.00413%0.13CC..Hα-helixtrans-58.2-41.7171.5-78.4-65.9000112L226 F255 T260 L261 F264 C282 L283 S288 T289 Y302L226-F286 HydrophobicContact CD1-CD2 4.16Å; L226-F286 HydrophobicContact CD1-CE1 4.45Å; L226-F286 HydrophobicContact CD1-CE2 3.77Å; L226-F286 HydrophobicContact CD1-CZ 3.92Å; L226-F286 HydrophobicContact CD2-CE1 4.43Å; F255-F286 AromaticContact CD1-CD1 3.61Å; F255-F286 HydrophobicContact CD1-CD1 3.61Å; F255-F286 AromaticContact CD1-CE1 3.99Å; F255-F286 HydrophobicContact CD1-CE1 3.99Å; F255-F286 AromaticContact CE1-CD1 3.31Å; F255-F286 HydrophobicContact CE1-CD1 3.31Å; F255-F286 AromaticContact CE1-CE1 3.61Å; F255-F286 HydrophobicContact CE1-CE1 3.61Å; F255-F286 HydrophobicContact CE1-CG 4.44Å; F255-F286 HydrophobicContact CZ-CD1 4.14Å; F255-F286 HydrophobicContact CZ-CE1 4Å; T260-F286 HydrophobicContact CG2-CE1 3.96Å; T260-F286 HydrophobicContact CG2-CZ 3.97Å; L261-F286 HydrophobicContact CD2-CB 3.85Å; L261-F286 HydrophobicContact CD2-CD1 4.34Å; L261-F286 HydrophobicContact CD2-CG 4Å; F264-F286 HydrophobicContact CD1-CE2 4.42Å; F264-F286 HydrophobicContact CD2-CD2 4.11Å; F264-F286 AromaticContact CD2-CE2 3.36Å; F264-F286 HydrophobicContact CD2-CE2 3.36Å; F264-F286 AromaticContact CD2-CZ 3.96Å; F264-F286 HydrophobicContact CD2-CZ 3.96Å; F264-F286 HydrophobicContact CE1-CE2 4.33Å; F264-F286 HydrophobicContact CE2-CD2 4.42Å; F264-F286 AromaticContact CE2-CE2 3.29Å; F264-F286 HydrophobicContact CE2-CE2 3.29Å; F264-F286 AromaticContact CE2-CZ 3.51Å; F264-F286 HydrophobicContact CE2-CZ 3.51Å; F264-F286 AromaticContact CG-CE2 4Å; F264-F286 HydrophobicContact CG-CE2 4Å; F264-F286 AromaticContact CZ-CE2 3.82Å; F264-F286 HydrophobicContact CZ-CE2 3.82Å; F264-F286 HydrophobicContact CZ-CZ 4.14Å; C282-F286 HydrophobicContact CB-CD2 4.47Å; C282-F286 HydrophobicContact CB-CE2 4.28Å; C282-F286 WeakPolarHBondContact O-CD2 3.39Å; C282-F286 PolarHBondContact O-N 3.05Å; L283-F286 PolarHBondContact O-N 3.44Å; F286-S288 VanDerWaalsContact C-N 3.28Å; F286-S288 PolarHBondContact O-N 3.23Å; F286-T289 WeakPolarHBondContact O-CB 3.44Å; F286-T289 PolarHBondContact O-N 3.39Å; F286-T289 PolarHBondContact O-OG1 3.4Å; F286-Y302 PolarHBondContact O-OH 3.36Å
287A92.8Very high92Very high0 Ų028.5 Ų28.50%016%0.159CC..Hα-helixtrans-69-27.2175.900000113.3L283 V284 Q285 T289 L306 F332 R335 N339L283-A287 WeakPolarHBondContact O-CB 3.41Å; L283-A287 PolarHBondContact O-N 2.94Å; V284-A287 PolarHBondContact O-N 2.93Å; Q285-A287 VanDerWaalsContact C-N 3.29Å; Q285-A287 PolarHBondContact O-N 3.01Å; A287-T289 VanDerWaalsContact C-N 3.31Å; A287-L306 HydrophobicContact CB-CD1 4.48Å; A287-F332 HydrophobicContact CB-CD2 3.44Å; A287-F332 VanDerWaalsContact CB-CD2 3.44Å; A287-F332 HydrophobicContact CB-CE2 3.39Å; A287-R335 HydrophobicContact CB-CB 4.19Å; A287-N339 PolarHBondContact O-ND2 2.99Å
288S91.9Very high91.8Very high1 Ų127.9 Ų27.91%0.00716%0.156CC..Hα-helixtrans-82.3-6.3-179.4-61.40000113.8T244 V245 V284 Q285 F286 R290 R335T244-S288 CarbonylContact C-O 3.57Å; T244-S288 VanDerWaalsContact CA-O 3.28Å; T244-S288 WeakPolarHBondContact CA-O 3.49Å; V245-S288 PolarHBondContact N-O 2.76Å; V284-S288 WeakPolarHBondContact O-CB 3.34Å; V284-S288 PolarHBondContact O-N 3.48Å; V284-S288 PolarHBondContact O-OG 2.66Å; Q285-S288 WeakPolarHBondContact O-CB 3.47Å; Q285-S288 PolarHBondContact O-N 3.03Å; Q285-S288 VanDerWaalsContact O-N 3.08Å; F286-S288 VanDerWaalsContact C-N 3.28Å; F286-S288 PolarHBondContact O-N 3.23Å; S288-R290 PolarHBondContact O-N 3.33Å; S288-R335 VanDerWaalsContact CB-NH1 3.34Å; S288-R335 WeakPolarHBondContact OG-CD 3.28Å; S288-R335 VanDerWaalsContact OG-CG 3.27Å; S288-R335 WeakPolarHBondContact OG-CG 3.43Å; S288-R335 PolarHBondContact OG-NH1 3.33Å
289T90.4Very high91.6Very high1 Ų128.9 Ų28.91%0.00616%0.158CC..BIsolated β-bridgetrans-64.7118.7-179.8-640000111I247 F255 Q285 F286 A287 R291 L293 F294 N339I247-T289 HydrophobicContact CB-CG2 4.13Å; I247-T289 HydrophobicContact CG1-CG2 3.82Å; F255-T289 HydrophobicContact CD1-CG2 4.21Å; F255-T289 HydrophobicContact CE1-CG2 4.15Å; F255-T289 WeakPolarHBondContact CE1-OG1 3.27Å; Q285-T289 PolarHBondContact O-N 3.13Å; Q285-T289 PolarHBondContact O-OG1 3.39Å; F286-T289 WeakPolarHBondContact O-CB 3.44Å; F286-T289 PolarHBondContact O-N 3.39Å; F286-T289 PolarHBondContact O-OG1 3.4Å; A287-T289 VanDerWaalsContact C-N 3.31Å; T289-R291 PolarHBondContact O-N 3.24Å; T289-L293 HydrophobicContact CG2-CD2 3.48Å; T289-L293 VanDerWaalsContact CG2-CD2 3.48Å; T289-F294 HydrophobicContact CG2-CE2 4.25Å; T289-F294 HydrophobicContact CG2-CZ 4.19Å; T289-N339 PolarHBondContact O-ND2 2.87Å
290R88.2Confident91.4Very high115 Ų11531.8 Ų31.843%0.43418%0.182SC..  trans-50125.8-171.9-174.5-180176.9-174.7-1.4112.7V245 S288 S292 L293V245-R290 PolarHBondContact O-N 3.42Å; V245-R290 VanDerWaalsContact O-N 3.08Å; S288-R290 PolarHBondContact O-N 3.33Å; R290-S292 VanDerWaalsContact CD-OG 3.27Å; R290-S292 WeakPolarHBondContact CD-OG 3.36Å; R290-S292 WeakPolarHBondContact CG-OG 3.46Å; R290-S292 PolarHBondContact NE-OG 3.35Å; R290-S292 PolarHBondContact O-N 3.11Å; R290-L293 VanDerWaalsContact O-CB 3.28Å; R290-L293 WeakPolarHBondContact O-CB 3.43Å; R290-L293 PolarHBondContact O-N 3.33Å
291R88Confident91.2Very high46 Ų4637.7 Ų37.717%0.17421%0.208CC..G310 helixtrans-57.3-22-176.270.7-178.5-87.2-124.17.3116.3T289 L293 F294 R299 N339 Y340 Q341 E344T289-R291 PolarHBondContact O-N 3.24Å; R291-L293 PolarHBondContact O-N 2.95Å; R291-F294 PolarHBondContact O-N 3.22Å; R291-R299 VanDerWaalsContact NH2-NH1 3.17Å; R291-N339 WeakPolarHBondContact CD-O 3.4Å; R291-N339 PolarHBondContact N-OD1 3.4Å; R291-Y340 HydrophobicContact CB-CD1 4.1Å; R291-Y340 HydrophobicContact CB-CE1 3.96Å; R291-Q341 VanDerWaalsContact NH1-CG 3.34Å; R291-E344 IonicContact CZ-OE1 2.84Å; R291-E344 IonicContact CZ-OE2 2.78Å; R291-E344 IonicContact NE-OE1 3.75Å; R291-E344 PolarHBondContact NE-OE1 2.91Å; R291-E344 IonicContact NE-OE2 3.7Å; R291-E344 PolarHBondContact NE-OE2 3.27Å; R291-E344 IonicContact NH2-OE1 3.85Å; R291-E344 PolarHBondContact NH2-OE1 2.75Å; R291-E344 IonicContact NH2-OE2 3.13Å; R291-E344 PolarHBondContact NH2-OE2 2.82Å
292S87.9Confident91.1Very high75 Ų7537.5 Ų37.552%0.52421%0.205SC..G310 helixtrans-73-9.8177.161.40000113.7R290 F294R290-S292 VanDerWaalsContact CD-OG 3.27Å; R290-S292 WeakPolarHBondContact CD-OG 3.36Å; R290-S292 WeakPolarHBondContact CG-OG 3.46Å; R290-S292 PolarHBondContact NE-OG 3.35Å; R290-S292 PolarHBondContact O-N 3.11Å; S292-F294 PolarHBondContact O-N 3.48Å
293L88.4Confident91Very high16 Ų1637.6 Ų37.68%0.08421%0.206CC..G310 helixtrans-62.5-31.9171-176.965.3000111.7I247 T249 R252 T289 R290 R291I247-L293 HydrophobicContact CB-CD2 4.24Å; I247-L293 HydrophobicContact CG2-CD2 4.19Å; T249-L293 HydrophobicContact CG2-CD1 4.27Å; R252-L293 HydrophobicContact CB-CD1 4.09Å; R252-L293 HydrophobicContact CB-CG 4.25Å; R252-L293 WeakPolarHBondContact CD-O 3.16Å; R252-L293 HydrophobicContact CG-CG 4.4Å; T289-L293 HydrophobicContact CG2-CD2 3.48Å; T289-L293 VanDerWaalsContact CG2-CD2 3.48Å; R290-L293 VanDerWaalsContact O-CB 3.28Å; R290-L293 WeakPolarHBondContact O-CB 3.43Å; R290-L293 PolarHBondContact O-N 3.33Å; R291-L293 PolarHBondContact O-N 2.95Å
294F90.9Very high90.9Very high9 Ų938.3 Ų38.34%0.03921%0.213CC..SBendtrans-101.5144.1-174.3-51.4-64.3000111.4F255 L256 T289 R291 S292 E298 R299 Y302F255-F294 HydrophobicContact CB-CE1 3.88Å; F255-F294 HydrophobicContact CB-CZ 3.93Å; L256-F294 HydrophobicContact CD2-CD1 3.72Å; L256-F294 HydrophobicContact CD2-CE1 3.99Å; L256-F294 HydrophobicContact CG-CD1 4.31Å; L256-F294 HydrophobicContact CG-CE1 4.34Å; T289-F294 HydrophobicContact CG2-CE2 4.25Å; T289-F294 HydrophobicContact CG2-CZ 4.19Å; R291-F294 PolarHBondContact O-N 3.22Å; S292-F294 PolarHBondContact O-N 3.48Å; F294-E298 HydrophobicContact CB-CB 4.16Å; F294-R299 HydrophobicContact CB-CB 3.87Å; F294-Y302 HydrophobicContact CD2-CD1 4.38Å; F294-Y302 AromaticContact CE2-CD1 3.71Å; F294-Y302 HydrophobicContact CE2-CD1 3.71Å; F294-Y302 AromaticContact CE2-CE1 3.86Å; F294-Y302 HydrophobicContact CE2-CE1 3.86Å; F294-Y302 HydrophobicContact CE2-CG 4.18Å; F294-Y302 AromaticContact CZ-CD1 3.96Å; F294-Y302 HydrophobicContact CZ-CD1 3.96Å; F294-Y302 HydrophobicContact CZ-CD2 4.25Å; F294-Y302 AromaticContact CZ-CE1 3.96Å; F294-Y302 HydrophobicContact CZ-CE1 3.96Å; F294-Y302 HydrophobicContact CZ-CE2 4.27Å; F294-Y302 HydrophobicContact CZ-CG 4.09Å
295S90.2Very high90.8Very high44 Ų4440.3 Ų40.331%0.30822%0.224SC..  trans-67.8163.4165.466.40000110.8E298 R299S295-E298 WeakPolarHBondContact CB-OE2 3.46Å; S295-E298 PolarHBondContact N-OE2 3.46Å; S295-E298 PolarHBondContact O-N 3.02Å; S295-E298 VanDerWaalsContact OG-CG 3.28Å; S295-E298 WeakPolarHBondContact OG-CG 3.11Å; S295-E298 PolarHBondContact OG-OE2 2.87Å; S295-R299 VanDerWaalsContact O-CB 3.23Å; S295-R299 WeakPolarHBondContact O-CB 3.45Å; S295-R299 PolarHBondContact O-N 2.95Å
296S87.2Confident90.8Very high79 Ų7939.8 Ų39.855%0.55222%0.221SC*.Hα-helixtrans-52.4-48.5-178.1-161.90000115.1A300S296-A300 PolarHBondContact O-N 3.26Å
297P89.6Confident90.9Very high98 Ų9840 Ų4064%0.63622%0.222SC*.Hα-helixtrans-68.6-39.3179.526.3-34.3000112.8R299 A300 K301P297-R299 VanDerWaalsContact C-N 3.34Å; P297-R299 PolarHBondContact O-N 3.25Å; P297-A300 PolarHBondContact O-N 3.45Å; P297-K301 PolarHBondContact O-N 3.32Å; P297-K301 VanDerWaalsContact O-N 3.12Å
298E90.9Very high91Very high49 Ų4945.9 Ų45.923%0.22925%0.248CC..Hα-helixtrans-64.2-40.9177.2-73.4167.7164.300112R252 L256 F294 S295 A300 K301 Y302R252-E298 IonicContact CZ-OE1 2.88Å; R252-E298 IonicContact CZ-OE2 2.66Å; R252-E298 IonicContact NE-OE1 3.13Å; R252-E298 IonicContact NE-OE2 3.57Å; R252-E298 PolarHBondContact NE-OE2 3.39Å; R252-E298 IonicContact NH2-OE1 3.48Å; R252-E298 PolarHBondContact NH2-OE1 3.06Å; R252-E298 IonicContact NH2-OE2 3.6Å; R252-E298 PolarHBondContact NH2-OE2 2.85Å; L256-E298 HydrophobicContact CD1-CG 4.2Å; L256-E298 WeakPolarHBondContact CD1-OE1 3.32Å; L256-E298 HydrophobicContact CD2-CB 3.74Å; L256-E298 HydrophobicContact CD2-CG 3.9Å; F294-E298 HydrophobicContact CB-CB 4.16Å; S295-E298 WeakPolarHBondContact CB-OE2 3.46Å; S295-E298 PolarHBondContact N-OE2 3.46Å; S295-E298 PolarHBondContact O-N 3.02Å; S295-E298 VanDerWaalsContact OG-CG 3.28Å; S295-E298 WeakPolarHBondContact OG-CG 3.11Å; S295-E298 PolarHBondContact OG-OE2 2.87Å; E298-A300 VanDerWaalsContact C-N 3.34Å; E298-A300 PolarHBondContact O-N 3.09Å; E298-K301 PolarHBondContact O-N 2.96Å; E298-Y302 WeakPolarHBondContact O-CB 3.47Å; E298-Y302 PolarHBondContact O-N 3.41Å
299R91.1Very high91.1Very high50 Ų5046.1 Ų46.119%0.18925%0.251CS..Hα-helixtrans-61-43.9177.7-175.6173.655.9-172.78111.3R291 F294 S295 P297 K301 Y302 L303 Y340 E344R291-R299 VanDerWaalsContact NH2-NH1 3.17Å; F294-R299 HydrophobicContact CB-CB 3.87Å; S295-R299 VanDerWaalsContact O-CB 3.23Å; S295-R299 WeakPolarHBondContact O-CB 3.45Å; S295-R299 PolarHBondContact O-N 2.95Å; P297-R299 VanDerWaalsContact C-N 3.34Å; P297-R299 PolarHBondContact O-N 3.25Å; R299-K301 VanDerWaalsContact C-N 3.34Å; R299-Y302 PolarHBondContact O-N 3.31Å; R299-L303 WeakPolarHBondContact O-CB 3.35Å; R299-L303 PolarHBondContact O-N 3.34Å; R299-Y340 HydrophobicContact CG-CD1 4.33Å; R299-Y340 HydrophobicContact CG-CE1 4.03Å; R299-E344 VanDerWaalsContact CD-OE1 3.3Å; R299-E344 WeakPolarHBondContact CD-OE1 3.35Å; R299-E344 IonicContact CZ-OE1 3.25Å; R299-E344 IonicContact NE-OE1 2.83Å; R299-E344 PolarHBondContact NE-OE1 3.5Å; R299-E344 IonicContact NH1-OE1 2.76Å; R299-E344 PolarHBondContact NH1-OE1 3.34Å; R299-E344 IonicContact NH2-OE1 3.62Å; R299-E344 PolarHBondContact NH2-OE1 3.06Å
300A90.1Very high91.3Very high61 Ų6146.1 Ų46.150%0.50425%0.251SS..Hα-helixtrans-61.7-43.1175.700000111.5S296 P297 E298 G304S296-A300 PolarHBondContact O-N 3.26Å; P297-A300 PolarHBondContact O-N 3.45Å; E298-A300 VanDerWaalsContact C-N 3.34Å; E298-A300 PolarHBondContact O-N 3.09Å; A300-G304 PolarHBondContact O-N 3.06Å
301K90.7Very high91.7Very high124 Ų12442.4 Ų42.454%0.53924%0.238SC..Hα-helixtrans-63.4-48.2176.3-174-177.2178.9-172.70112.3P297 E298 R299 G304 N305P297-K301 PolarHBondContact O-N 3.32Å; P297-K301 VanDerWaalsContact O-N 3.12Å; E298-K301 PolarHBondContact O-N 2.96Å; R299-K301 VanDerWaalsContact C-N 3.34Å; K301-G304 PolarHBondContact O-N 3.45Å; K301-N305 PolarHBondContact O-N 3.02Å; K301-N305 VanDerWaalsContact O-N 3.08Å
302Y92.9Very high92Very high6 Ų645.2 Ų45.22%0.02425%0.248CC..Hα-helixtrans-64.2-43.8-179.5-174.9-101.3000111.6F255 L261 F286 F294 E298 R299 G304 N305 L306 Y340F255-Y302 HydrophobicContact CB-CE2 4.2Å; F255-Y302 HydrophobicContact CD1-CE2 4.49Å; F255-Y302 VanDerWaalsContact O-CD2 3.24Å; F255-Y302 WeakPolarHBondContact O-CD2 3.5Å; F255-Y302 VanDerWaalsContact O-CE2 3.23Å; F255-Y302 WeakPolarHBondContact O-CE2 3.34Å; L261-Y302 HydrophobicContact CD1-CD2 3.88Å; L261-Y302 HydrophobicContact CD1-CE2 3.55Å; L261-Y302 HydrophobicContact CD2-CE2 4.24Å; L261-Y302 HydrophobicContact CG-CE2 3.98Å; F286-Y302 PolarHBondContact O-OH 3.36Å; F294-Y302 HydrophobicContact CD2-CD1 4.38Å; F294-Y302 AromaticContact CE2-CD1 3.71Å; F294-Y302 HydrophobicContact CE2-CD1 3.71Å; F294-Y302 AromaticContact CE2-CE1 3.86Å; F294-Y302 HydrophobicContact CE2-CE1 3.86Å; F294-Y302 HydrophobicContact CE2-CG 4.18Å; F294-Y302 AromaticContact CZ-CD1 3.96Å; F294-Y302 HydrophobicContact CZ-CD1 3.96Å; F294-Y302 HydrophobicContact CZ-CD2 4.25Å; F294-Y302 AromaticContact CZ-CE1 3.96Å; F294-Y302 HydrophobicContact CZ-CE1 3.96Å; F294-Y302 HydrophobicContact CZ-CE2 4.27Å; F294-Y302 HydrophobicContact CZ-CG 4.09Å; E298-Y302 WeakPolarHBondContact O-CB 3.47Å; E298-Y302 PolarHBondContact O-N 3.41Å; R299-Y302 PolarHBondContact O-N 3.31Å; Y302-G304 VanDerWaalsContact C-N 3.34Å; Y302-G304 PolarHBondContact O-N 3.43Å; Y302-N305 PolarHBondContact O-N 2.61Å; Y302-L306 HydrophobicContact CD1-CD1 3.99Å; Y302-L306 HydrophobicContact CD1-CG 4.46Å; Y302-L306 HydrophobicContact CE1-CD1 3.68Å; Y302-L306 HydrophobicContact CE1-CG 4.21Å; Y302-L306 PolarHBondContact O-N 2.92Å; Y302-L306 VanDerWaalsContact O-N 3.08Å; Y302-Y340 VanDerWaalsContact CD1-OH 3.27Å; Y302-Y340 WeakPolarHBondContact CD1-OH 3.34Å; Y302-Y340 WeakPolarHBondContact CE1-OH 3.38Å
303L93.1Very high92.3Very high2 Ų241.6 Ų41.61%0.0122%0.223CC..Hα-helixtrans-61.6-42.3174.3-17658.6000111.7R299 N305 L306 I307 L336 Y340 E344 L345 V348R299-L303 WeakPolarHBondContact O-CB 3.35Å; R299-L303 PolarHBondContact O-N 3.34Å; L303-N305 VanDerWaalsContact C-N 3.3Å; L303-N305 PolarHBondContact O-N 3.25Å; L303-L306 PolarHBondContact O-N 3.2Å; L303-I307 HydrophobicContact CD1-CG1 4.27Å; L303-I307 HydrophobicContact CG-CG1 4.41Å; L303-I307 WeakPolarHBondContact O-CG1 3.3Å; L303-I307 PolarHBondContact O-N 3.44Å; L303-L336 HydrophobicContact CD1-CD2 4.37Å; L303-Y340 HydrophobicContact CB-CE1 4.44Å; L303-Y340 HydrophobicContact CD1-CD1 4.07Å; L303-Y340 HydrophobicContact CD1-CD2 3.74Å; L303-Y340 HydrophobicContact CD1-CE1 4.34Å; L303-Y340 HydrophobicContact CD1-CE2 4.04Å; L303-Y340 HydrophobicContact CD1-CG 3.76Å; L303-Y340 HydrophobicContact CD2-CD1 4.11Å; L303-Y340 HydrophobicContact CD2-CG 4.22Å; L303-Y340 HydrophobicContact CG-CD1 4.48Å; L303-E344 HydrophobicContact CD2-CB 4.01Å; L303-L345 HydrophobicContact CD1-CD2 3.84Å; L303-L345 HydrophobicContact CD2-CD2 4.05Å; L303-L345 HydrophobicContact CD2-CG 4.49Å; L303-L345 HydrophobicContact CG-CD2 4.31Å; L303-V348 HydrophobicContact CD2-CG2 4.03Å; L303-V348 HydrophobicContact CG-CG2 4Å
304G93.4Very high92.6Very high15 Ų1541.7 Ų41.716%0.15522%0.224CC..Hα-helixtrans-56.8-42.3174.300000112.9A300 K301 Y302 I307 K308A300-G304 PolarHBondContact O-N 3.06Å; K301-G304 PolarHBondContact O-N 3.45Å; Y302-G304 VanDerWaalsContact C-N 3.34Å; Y302-G304 PolarHBondContact O-N 3.43Å; G304-I307 PolarHBondContact O-N 2.85Å; G304-K308 WeakPolarHBondContact O-CB 3.42Å; G304-K308 PolarHBondContact O-N 3.39Å
305N92.6Very high92.7Very high43 Ų4346.6 Ų46.623%0.2325%0.247CC..Hα-helixtrans-65.7-41.2176.4-70.1-13.3000112.6L261 K301 Y302 L303 K308 G309L261-N305 HydrophobicContact CD1-CB 3.78Å; K301-N305 PolarHBondContact O-N 3.02Å; K301-N305 VanDerWaalsContact O-N 3.08Å; Y302-N305 PolarHBondContact O-N 2.61Å; L303-N305 VanDerWaalsContact C-N 3.3Å; L303-N305 PolarHBondContact O-N 3.25Å; N305-K308 PolarHBondContact O-N 3.11Å; N305-G309 PolarHBondContact O-N 3.48Å
306L94.3Very high92.7Very high0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-61.4-46.8175-69.6174.8000111.5L261 A287 Y302 L303 K308 G309 V310 F332 L336 Y340L261-L306 HydrophobicContact CD1-CD2 3.88Å; L261-L306 HydrophobicContact CD1-CG 4.13Å; L261-L306 HydrophobicContact CD2-CD2 3.87Å; A287-L306 HydrophobicContact CB-CD1 4.48Å; Y302-L306 HydrophobicContact CD1-CD1 3.99Å; Y302-L306 HydrophobicContact CD1-CG 4.46Å; Y302-L306 HydrophobicContact CE1-CD1 3.68Å; Y302-L306 HydrophobicContact CE1-CG 4.21Å; Y302-L306 PolarHBondContact O-N 2.92Å; Y302-L306 VanDerWaalsContact O-N 3.08Å; L303-L306 PolarHBondContact O-N 3.2Å; L306-K308 PolarHBondContact O-N 3.21Å; L306-G309 PolarHBondContact O-N 3.39Å; L306-V310 WeakPolarHBondContact O-CG2 3.36Å; L306-V310 PolarHBondContact O-N 3.27Å; L306-F332 HydrophobicContact CD2-CE2 4.19Å; L306-F332 HydrophobicContact CD2-CZ 4.14Å; L306-L336 HydrophobicContact CB-CD2 4.09Å; L306-L336 HydrophobicContact CD1-CD2 4.04Å; L306-Y340 HydrophobicContact CD1-CE2 4.06Å
307I94.8Very high92.7Very high5 Ų547.7 Ų47.73%0.02625%0.247CC..Hα-helixtrans-64.1-40.6179.4-66.9-64.5000111.3L303 G304 G309 V310 K311 L336 L345 V348 E350 V354L303-I307 HydrophobicContact CD1-CG1 4.27Å; L303-I307 HydrophobicContact CG-CG1 4.41Å; L303-I307 WeakPolarHBondContact O-CG1 3.3Å; L303-I307 PolarHBondContact O-N 3.44Å; G304-I307 PolarHBondContact O-N 2.85Å; I307-G309 VanDerWaalsContact C-N 3.31Å; I307-G309 PolarHBondContact O-N 3.37Å; I307-V310 PolarHBondContact O-N 3.46Å; I307-K311 WeakPolarHBondContact O-CB 3.42Å; I307-K311 PolarHBondContact O-N 3.44Å; I307-L336 HydrophobicContact CD1-CD1 3.94Å; I307-L345 HydrophobicContact CD1-CD2 4.01Å; I307-V348 HydrophobicContact CB-CG1 4.14Å; I307-V348 HydrophobicContact CG1-CG1 4.38Å; I307-V348 HydrophobicContact CG2-CG1 4.02Å; I307-E350 HydrophobicContact CG2-CB 4.35Å; I307-V354 HydrophobicContact CG2-CB 4.11Å; I307-V354 HydrophobicContact CG2-CG1 4.18Å; I307-V354 HydrophobicContact CG2-CG2 3.79Å
308K93.5Very high92.4Very high125 Ų12550.4 Ų50.454%0.54325%0.251SS..Hα-helixtrans-60.1-41173.4-175.8-175.4177.3-169.90112G304 N305 L306 K311 R312G304-K308 WeakPolarHBondContact O-CB 3.42Å; G304-K308 PolarHBondContact O-N 3.39Å; N305-K308 PolarHBondContact O-N 3.11Å; L306-K308 PolarHBondContact O-N 3.21Å; K308-K311 WeakPolarHBondContact O-CB 3.23Å; K308-K311 PolarHBondContact O-N 2.98Å; K308-R312 PolarHBondContact O-N 2.72Å; K308-R312 VanDerWaalsContact O-N 3.09Å
309G94.1Very high92.1Very high6 Ų649.3 Ų49.36%0.06225%0.253CS..Hα-helixtrans-67.8-41.3175.800000113.1F265 N305 L306 I307 K311 R312 I313F265-G309 VanDerWaalsContact CE1-CA 3.47Å; N305-G309 PolarHBondContact O-N 3.48Å; L306-G309 PolarHBondContact O-N 3.39Å; I307-G309 VanDerWaalsContact C-N 3.31Å; I307-G309 PolarHBondContact O-N 3.37Å; G309-K311 VanDerWaalsContact C-N 3.33Å; G309-K311 PolarHBondContact O-N 3.1Å; G309-R312 PolarHBondContact O-N 2.78Å; G309-I313 WeakPolarHBondContact O-CG1 3.3Å; G309-I313 PolarHBondContact O-N 3.2Å; G309-I313 VanDerWaalsContact O-N 3.09Å
310V95.6Very high92Very high0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-58.7-45172167.60000111.3L306 I307 R312 I313 L314 F329 F332 L333 L336 V354 I358L306-V310 WeakPolarHBondContact O-CG2 3.36Å; L306-V310 PolarHBondContact O-N 3.27Å; I307-V310 PolarHBondContact O-N 3.46Å; V310-R312 VanDerWaalsContact C-N 3.33Å; V310-R312 PolarHBondContact O-N 3.4Å; V310-I313 PolarHBondContact O-N 2.72Å; V310-L314 HydrophobicContact CG1-CD1 3.75Å; V310-L314 HydrophobicContact CG1-CG 4.44Å; V310-L314 WeakPolarHBondContact O-CG 3.41Å; V310-L314 PolarHBondContact O-N 3.25Å; V310-F329 HydrophobicContact CG1-CE2 4.49Å; V310-F329 HydrophobicContact CG1-CZ 4.14Å; V310-F332 HydrophobicContact CG2-CD1 4.07Å; V310-F332 HydrophobicContact CG2-CE1 3.4Å; V310-F332 VanDerWaalsContact CG2-CE1 3.4Å; V310-F332 HydrophobicContact CG2-CE2 4.32Å; V310-F332 HydrophobicContact CG2-CZ 3.55Å; V310-L333 HydrophobicContact CG1-CD2 3.64Å; V310-L333 HydrophobicContact CG2-CD2 4.19Å; V310-L336 HydrophobicContact CG2-CD1 3.94Å; V310-V354 HydrophobicContact CG1-CG1 3.92Å; V310-I358 HydrophobicContact CG1-CD1 4.32Å; V310-I358 HydrophobicContact CG1-CG1 4.44Å
311K95.8Very high91.8Very high38 Ų3849 Ų4917%0.16525%0.254CS..Hα-helixtrans-53.7-51.5175.1-171.6178.5163.8172.50111.1I307 K308 G309 I313 L314 E315 E353 V354 L357I307-K311 WeakPolarHBondContact O-CB 3.42Å; I307-K311 PolarHBondContact O-N 3.44Å; K308-K311 WeakPolarHBondContact O-CB 3.23Å; K308-K311 PolarHBondContact O-N 2.98Å; G309-K311 VanDerWaalsContact C-N 3.33Å; G309-K311 PolarHBondContact O-N 3.1Å; K311-I313 VanDerWaalsContact C-N 3.29Å; K311-I313 PolarHBondContact O-N 2.83Å; K311-L314 PolarHBondContact O-N 3.08Å; K311-L314 VanDerWaalsContact O-N 3.1Å; K311-E315 VanDerWaalsContact CE-CD 3.46Å; K311-E315 WeakPolarHBondContact CE-OE1 3.28Å; K311-E315 HydrophobicContact CG-CG 4.3Å; K311-E315 IonicContact NZ-OE1 2.94Å; K311-E315 WeakPolarHBondContact O-CG 3.21Å; K311-E315 PolarHBondContact O-N 3.26Å; K311-E353 VanDerWaalsContact CE-CD 3.46Å; K311-E353 WeakPolarHBondContact CE-OE1 3.48Å; K311-E353 WeakPolarHBondContact CE-OE2 3.45Å; K311-E353 IonicContact NZ-OE1 3.6Å; K311-E353 PolarHBondContact NZ-OE1 3.49Å; K311-E353 IonicContact NZ-OE2 3.55Å; K311-E353 PolarHBondContact NZ-OE2 3Å; K311-V354 HydrophobicContact CB-CG2 3.57Å; K311-V354 HydrophobicContact CD-CG2 4.16Å; K311-V354 HydrophobicContact CG-CG2 3.9Å; K311-L357 HydrophobicContact CG-CD1 4.2Å
312R94.6Very high91.8Very high104 Ų10445.2 Ų45.239%0.39224%0.24SC..Hα-helixtrans-59.7-37.4-179-170.3-175.2174.4-171.9-4.2112.8N266 H269 K308 G309 V310 N316N266-R312 PolarHBondContact OD1-NH1 3.41Å; H269-R312 PolarHBondContact CD2-NE 2.83Å; H269-R312 VanDerWaalsContact NE2-CD 3.31Å; H269-R312 WeakPolarHBondContact NE2-CD 3.13Å; H269-R312 WeakPolarHBondContact NE2-CG 3.3Å; H269-R312 PolarHBondContact NE2-NE 2.84Å; K308-R312 PolarHBondContact O-N 2.72Å; K308-R312 VanDerWaalsContact O-N 3.09Å; G309-R312 PolarHBondContact O-N 2.78Å; V310-R312 VanDerWaalsContact C-N 3.33Å; V310-R312 PolarHBondContact O-N 3.4Å; R312-N316 PolarHBondContact O-N 3.21Å
313I95.6Very high91.6Very high0 Ų048.3 Ų48.30%026%0.26CS..Hα-helixtrans-68.3-42.7175.6-64.8173000110.9F265 Y268 L280 G309 V310 K311 N316 L320 F329F265-I313 HydrophobicContact CD1-CD1 4.13Å; F265-I313 HydrophobicContact CE1-CD1 4.04Å; Y268-I313 HydrophobicContact CD1-CD1 4.08Å; Y268-I313 HydrophobicContact CD1-CG1 3.91Å; Y268-I313 HydrophobicContact CE1-CB 4.38Å; Y268-I313 HydrophobicContact CE1-CD1 4.07Å; Y268-I313 HydrophobicContact CE1-CG1 3.69Å; Y268-I313 HydrophobicContact CE1-CG2 3.99Å; L280-I313 HydrophobicContact CD1-CD1 4.08Å; G309-I313 WeakPolarHBondContact O-CG1 3.3Å; G309-I313 PolarHBondContact O-N 3.2Å; G309-I313 VanDerWaalsContact O-N 3.09Å; V310-I313 PolarHBondContact O-N 2.72Å; K311-I313 VanDerWaalsContact C-N 3.29Å; K311-I313 PolarHBondContact O-N 2.83Å; I313-N316 CarbonylContact O-C 3.48Å; I313-N316 PolarHBondContact O-N 2.75Å; I313-N316 VanDerWaalsContact O-O 3.11Å; I313-L320 HydrophobicContact CG2-CD1 4.11Å; I313-L320 HydrophobicContact CG2-CD2 4.13Å; I313-L320 HydrophobicContact CG2-CG 4.24Å; I313-F329 HydrophobicContact CB-CE2 3.9Å; I313-F329 HydrophobicContact CB-CZ 4.29Å; I313-F329 HydrophobicContact CD1-CD2 4.14Å; I313-F329 HydrophobicContact CD1-CE2 3.95Å; I313-F329 HydrophobicContact CG2-CD2 3.87Å; I313-F329 HydrophobicContact CG2-CE1 4.48Å; I313-F329 HydrophobicContact CG2-CE2 3.61Å; I313-F329 HydrophobicContact CG2-CG 4.44Å; I313-F329 HydrophobicContact CG2-CZ 3.95Å
314L94.7Very high91.4Very high18 Ų1848.9 Ų48.99%0.09427%0.267CS..Hα-helixtrans-70.2-32.6179.6-70.8169.5000113.3V310 K311 N316 F329 L357 I358 F361V310-L314 HydrophobicContact CG1-CD1 3.75Å; V310-L314 HydrophobicContact CG1-CG 4.44Å; V310-L314 WeakPolarHBondContact O-CG 3.41Å; V310-L314 PolarHBondContact O-N 3.25Å; K311-L314 PolarHBondContact O-N 3.08Å; K311-L314 VanDerWaalsContact O-N 3.1Å; L314-N316 VanDerWaalsContact C-N 3.3Å; L314-F329 HydrophobicContact CD1-CZ 4.33Å; L314-F329 HydrophobicContact CD2-CE1 3.59Å; L314-F329 HydrophobicContact CD2-CZ 3.84Å; L314-F329 HydrophobicContact CG-CE1 4.1Å; L314-F329 HydrophobicContact CG-CZ 3.79Å; L314-L357 HydrophobicContact CB-CB 4Å; L314-L357 HydrophobicContact CB-CD1 4.08Å; L314-L357 HydrophobicContact CD1-CB 3.67Å; L314-L357 HydrophobicContact CG-CB 4.37Å; L314-I358 HydrophobicContact CD1-CG1 3.67Å; L314-F361 HydrophobicContact CD2-CB 3.78Å; L314-F361 HydrophobicContact CD2-CD2 4.21Å; L314-F361 HydrophobicContact CD2-CG 3.92Å
315E92.9Very high91.4Very high112 Ų11248.2 Ų48.252%0.52326%0.259SS..Hα-helixtrans-71.3-24.9174.3-72.9177.5146.900112.7K311 L357K311-E315 VanDerWaalsContact CE-CD 3.46Å; K311-E315 WeakPolarHBondContact CE-OE1 3.28Å; K311-E315 HydrophobicContact CG-CG 4.3Å; K311-E315 IonicContact NZ-OE1 2.94Å; K311-E315 WeakPolarHBondContact O-CG 3.21Å; K311-E315 PolarHBondContact O-N 3.26Å; E315-L357 HydrophobicContact CG-CD1 4.26Å
316N89.8Confident91.4Very high73 Ų7347 Ų4739%0.3925%0.252SS..SBendtrans-12775.6175-172.97.3000111.5R312 I313 L314 Q318R312-N316 PolarHBondContact O-N 3.21Å; I313-N316 CarbonylContact O-C 3.48Å; I313-N316 PolarHBondContact O-N 2.75Å; I313-N316 VanDerWaalsContact O-O 3.11Å; L314-N316 VanDerWaalsContact C-N 3.3Å; N316-Q318 PolarHBondContact O-N 3Å; N316-Q318 VanDerWaalsContact O-N 3.12Å
317P86.1Confident91.3Very high72 Ų7249.5 Ų49.547%0.46826%0.263SS..G310 helixtrans-77.65.8-170.332.5-37.1000114.3G319 L320P317-G319 PolarHBondContact O-N 2.92Å; P317-G319 VanDerWaalsContact O-N 3.15Å; P317-L320 HydrophobicContact CB-CD1 4.23Å; P317-L320 WeakPolarHBondContact O-CB 3.4Å; P317-L320 PolarHBondContact O-N 3.44Å
318Q83.3Confident91.3Very high155 Ų15549.8 Ų49.872%0.72427%0.265SS*.G310 helixtrans-55.2-36-176.5-68.5-177.7-4.500112.9N316 L320 S321N316-Q318 PolarHBondContact O-N 3Å; N316-Q318 VanDerWaalsContact O-N 3.12Å; Q318-L320 VanDerWaalsContact C-N 3.26Å; Q318-L320 PolarHBondContact O-N 2.93Å; Q318-S321 PolarHBondContact O-OG 3.19Å; Q318-S321 VanDerWaalsContact O-OG 3.05Å
319G84.9Confident91.4Very high27 Ų2743.9 Ų43.928%0.27824%0.239SC..G310 helixtrans-69.5-20.2176.900000114.2P317 S321 N325P317-G319 PolarHBondContact O-N 2.92Å; P317-G319 VanDerWaalsContact O-N 3.15Å; G319-S321 VanDerWaalsContact C-N 3.31Å; G319-S321 PolarHBondContact O-N 3.34Å; G319-N325 WeakPolarHBondContact O-CB 3.42Å; G319-N325 PolarHBondContact O-ND2 3.17Å
320L88.9Confident91.4Very high12 Ų1243.6 Ų43.66%0.06324%0.236CC..G310 helixtrans-83.3-4-177.3-59.4177.2000113.4I313 P317 Q318 D322 F329 F361I313-L320 HydrophobicContact CG2-CD1 4.11Å; I313-L320 HydrophobicContact CG2-CD2 4.13Å; I313-L320 HydrophobicContact CG2-CG 4.24Å; P317-L320 HydrophobicContact CB-CD1 4.23Å; P317-L320 WeakPolarHBondContact O-CB 3.4Å; P317-L320 PolarHBondContact O-N 3.44Å; Q318-L320 VanDerWaalsContact C-N 3.26Å; Q318-L320 PolarHBondContact O-N 2.93Å; L320-D322 PolarHBondContact O-N 3Å; L320-F329 HydrophobicContact CD1-CD1 3.93Å; L320-F329 HydrophobicContact CD1-CE1 4.11Å; L320-F329 HydrophobicContact CD2-CB 3.61Å; L320-F329 HydrophobicContact CD2-CD1 3.85Å; L320-F329 HydrophobicContact CD2-CD2 4.47Å; L320-F329 HydrophobicContact CD2-CG 3.72Å; L320-F361 HydrophobicContact CD1-CD2 4.27Å; L320-F361 HydrophobicContact CD1-CE2 3.74Å; L320-F361 HydrophobicContact CD1-CZ 4.34Å
321S86.8Confident91.3Very high92 Ų9245 Ų4564%0.64324%0.241SC*.G310 helixtrans-72.6-12.6169.566.20000112.8Q318 G319 F371Q318-S321 PolarHBondContact O-OG 3.19Å; Q318-S321 VanDerWaalsContact O-OG 3.05Å; G319-S321 VanDerWaalsContact C-N 3.31Å; G319-S321 PolarHBondContact O-N 3.34Å; S321-F371 VanDerWaalsContact O-CZ 3.25Å; S321-F371 WeakPolarHBondContact O-CZ 3.32Å
322D89.7Confident91.3Very high45 Ų4543.2 Ų43.224%0.24123%0.234CC..SBendtrans-85.1129.2171.9176.684.4000110.4P273 L320 G324 N325 Y326P273-D322 HydrophobicContact CB-CB 4.05Å; L320-D322 PolarHBondContact O-N 3Å; D322-G324 VanDerWaalsContact C-N 3.28Å; D322-G324 PolarHBondContact O-N 2.88Å; D322-G324 WeakPolarHBondContact OD2-CA 3.27Å; D322-G324 PolarHBondContact OD2-N 3.4Å; D322-N325 HydrophobicContact CB-CB 4.21Å; D322-N325 PolarHBondContact O-N 3.36Å; D322-N325 PolarHBondContact OD2-N 3.25Å; D322-Y326 WeakPolarHBondContact O-CB 3.5Å; D322-Y326 PolarHBondContact O-N 2.98Å
323P88.8Confident91.3Very high70 Ų7038.3 Ų38.346%0.45522%0.215SC..Hα-helixtrans-58-35.4-178-24.232.2000114.3H327 F371P323-H327 WeakPolarHBondContact O-CB 3.48Å; P323-H327 PolarHBondContact O-N 2.8Å; P323-F371 HydrophobicContact CB-CE1 4.25Å; P323-F371 HydrophobicContact CB-CZ 4.45Å; P323-F371 HydrophobicContact CG-CE1 3.96Å; P323-F371 HydrophobicContact CG-CE2 4.47Å; P323-F371 HydrophobicContact CG-CZ 3.68Å
324G90.2Very high91.2Very high14 Ų1438.3 Ų38.314%0.14422%0.215CC..Hα-helixtrans-69.5-49.1-179.500000111.7D322 Y326 H327 E328D322-G324 VanDerWaalsContact C-N 3.28Å; D322-G324 PolarHBondContact O-N 2.88Å; D322-G324 WeakPolarHBondContact OD2-CA 3.27Å; D322-G324 PolarHBondContact OD2-N 3.4Å; G324-Y326 VanDerWaalsContact C-N 3.33Å; G324-Y326 PolarHBondContact O-N 3.46Å; G324-H327 PolarHBondContact O-N 2.8Å; G324-E328 WeakPolarHBondContact O-CG 3.35Å; G324-E328 PolarHBondContact O-N 3.2Å; G324-E328 VanDerWaalsContact O-N 3.09Å
325N92.6Very high91Very high1 Ų138 Ų381%0.00521%0.213CC..Hα-helixtrans-60-43.8173.1-75.8-31.2000111.9Y268 S276 Q277 L280 G319 D322 H327 E328 F329Y268-N325 HydrophobicContact CE2-CB 4.43Å; S276-N325 VanDerWaalsContact C-OD1 3.28Å; S276-N325 VanDerWaalsContact OG-CG 3.28Å; S276-N325 PolarHBondContact OG-ND2 3.45Å; S276-N325 PolarHBondContact OG-OD1 3.09Å; Q277-N325 WeakPolarHBondContact CA-OD1 3.22Å; Q277-N325 PolarHBondContact N-OD1 3.21Å; L280-N325 VanDerWaalsContact CD2-O 3.24Å; L280-N325 WeakPolarHBondContact CD2-O 3.42Å; G319-N325 WeakPolarHBondContact O-CB 3.42Å; G319-N325 PolarHBondContact O-ND2 3.17Å; D322-N325 HydrophobicContact CB-CB 4.21Å; D322-N325 PolarHBondContact O-N 3.36Å; D322-N325 PolarHBondContact OD2-N 3.25Å; N325-H327 VanDerWaalsContact C-N 3.35Å; N325-H327 PolarHBondContact O-N 3.02Å; N325-E328 PolarHBondContact O-N 3.41Å; N325-F329 VanDerWaalsContact O-CB 3.31Å; N325-F329 WeakPolarHBondContact O-CB 3.39Å; N325-F329 PolarHBondContact O-N 3.43Å
326Y92.7Very high90.9Very high19 Ų1932.9 Ų32.98%0.07519%0.189CC..Hα-helixtrans-58.5-46.8178.4176.2-96.5000111.8D322 G324 F329 C330 F361 S365 A372 S375D322-Y326 WeakPolarHBondContact O-CB 3.5Å; D322-Y326 PolarHBondContact O-N 2.98Å; G324-Y326 VanDerWaalsContact C-N 3.33Å; G324-Y326 PolarHBondContact O-N 3.46Å; Y326-F329 PolarHBondContact O-N 3.46Å; Y326-C330 PolarHBondContact O-N 2.84Å; Y326-C330 PolarHBondContact O-SG 2.7Å; Y326-F361 HydrophobicContact CD2-CE2 4.08Å; Y326-F361 AromaticContact CD2-CZ 3.73Å; Y326-F361 HydrophobicContact CD2-CZ 3.73Å; Y326-F361 HydrophobicContact CE2-CE1 4.33Å; Y326-F361 AromaticContact CE2-CE2 3.8Å; Y326-F361 HydrophobicContact CE2-CE2 3.8Å; Y326-F361 AromaticContact CE2-CZ 3.39Å; Y326-F361 HydrophobicContact CE2-CZ 3.39Å; Y326-S365 WeakPolarHBondContact CE2-OG 3.47Å; Y326-S365 WeakPolarHBondContact OH-CB 3.37Å; Y326-S365 PolarHBondContact OH-OG 2.86Å; Y326-A372 HydrophobicContact CD1-CB 3.77Å; Y326-A372 HydrophobicContact CE1-CB 3.66Å; Y326-S375 VanDerWaalsContact CE1-CB 3.49Å
327H92.6Very high90.9Very high52 Ų5230.5 Ų30.524%0.24118%0.175CC..Hα-helixtrans-61.8-50.5178.7-178.374.6000112.2P323 G324 N325 F329 C330 R331 S375 Y378P323-H327 WeakPolarHBondContact O-CB 3.48Å; P323-H327 PolarHBondContact O-N 2.8Å; G324-H327 PolarHBondContact O-N 2.8Å; N325-H327 VanDerWaalsContact C-N 3.35Å; N325-H327 PolarHBondContact O-N 3.02Å; H327-F329 VanDerWaalsContact C-N 3.27Å; H327-F329 PolarHBondContact O-N 2.87Å; H327-C330 WeakPolarHBondContact O-CB 3.36Å; H327-C330 PolarHBondContact O-N 3.05Å; H327-R331 PolarHBondContact O-N 2.86Å; H327-S375 WeakPolarHBondContact CA-OG 3.48Å; H327-S375 PolarHBondContact ND1-OG 3.47Å; H327-Y378 AromaticContact CE1-CE2 3.61Å
328E93.7Very high90.9Very high11 Ų1129 Ų295%0.05116%0.164CC..Hα-helixtrans-64.5-32.6179.5-68.9-61.5122.300112.1Q277 L280 S281 V284 G324 N325 R331 F332Q277-E328 HydrophobicContact CG-CG 3.93Å; L280-E328 HydrophobicContact CB-CB 4.1Å; L280-E328 HydrophobicContact CD2-CB 3.84Å; L280-E328 HydrophobicContact CG-CB 3.83Å; S281-E328 WeakPolarHBondContact CA-OE2 3.39Å; S281-E328 WeakPolarHBondContact CB-OE2 3.33Å; S281-E328 WeakPolarHBondContact OG-CG 3.43Å; S281-E328 PolarHBondContact OG-OE2 2.67Å; V284-E328 VanDerWaalsContact CG2-O 3.26Å; V284-E328 WeakPolarHBondContact CG2-O 3.39Å; G324-E328 WeakPolarHBondContact O-CG 3.35Å; G324-E328 PolarHBondContact O-N 3.2Å; G324-E328 VanDerWaalsContact O-N 3.09Å; N325-E328 PolarHBondContact O-N 3.41Å; E328-R331 VanDerWaalsContact CD-NH1 3.35Å; E328-R331 PolarHBondContact O-N 2.75Å; E328-R331 IonicContact OE1-CZ 2.68Å; E328-R331 IonicContact OE1-NH1 3.33Å; E328-R331 PolarHBondContact OE1-NH1 3Å; E328-R331 IonicContact OE2-NH1 3.25Å; E328-R331 PolarHBondContact OE2-NH1 2.85Å; E328-R331 VanDerWaalsContact OE2-NH1 3.09Å; E328-F332 WeakPolarHBondContact O-CB 3.2Å; E328-F332 PolarHBondContact O-N 3.2Å
329F95.7Very high91.1Very high0 Ų022.2 Ų22.20%013%0.133CC..Hα-helixtrans-67.3-43.7173.7-168.4-117.7000112.1L280 V310 I313 L314 L320 N325 Y326 H327 R331 F332 L333 F361L280-F329 HydrophobicContact CD1-CD2 4.44Å; L280-F329 HydrophobicContact CD2-CB 3.85Å; V310-F329 HydrophobicContact CG1-CE2 4.49Å; V310-F329 HydrophobicContact CG1-CZ 4.14Å; I313-F329 HydrophobicContact CB-CE2 3.9Å; I313-F329 HydrophobicContact CB-CZ 4.29Å; I313-F329 HydrophobicContact CD1-CD2 4.14Å; I313-F329 HydrophobicContact CD1-CE2 3.95Å; I313-F329 HydrophobicContact CG2-CD2 3.87Å; I313-F329 HydrophobicContact CG2-CE1 4.48Å; I313-F329 HydrophobicContact CG2-CE2 3.61Å; I313-F329 HydrophobicContact CG2-CG 4.44Å; I313-F329 HydrophobicContact CG2-CZ 3.95Å; L314-F329 HydrophobicContact CD1-CZ 4.33Å; L314-F329 HydrophobicContact CD2-CE1 3.59Å; L314-F329 HydrophobicContact CD2-CZ 3.84Å; L314-F329 HydrophobicContact CG-CE1 4.1Å; L314-F329 HydrophobicContact CG-CZ 3.79Å; L320-F329 HydrophobicContact CD1-CD1 3.93Å; L320-F329 HydrophobicContact CD1-CE1 4.11Å; L320-F329 HydrophobicContact CD2-CB 3.61Å; L320-F329 HydrophobicContact CD2-CD1 3.85Å; L320-F329 HydrophobicContact CD2-CD2 4.47Å; L320-F329 HydrophobicContact CD2-CG 3.72Å; N325-F329 VanDerWaalsContact O-CB 3.31Å; N325-F329 WeakPolarHBondContact O-CB 3.39Å; N325-F329 PolarHBondContact O-N 3.43Å; Y326-F329 PolarHBondContact O-N 3.46Å; H327-F329 VanDerWaalsContact C-N 3.27Å; H327-F329 PolarHBondContact O-N 2.87Å; F329-R331 VanDerWaalsContact C-N 3.3Å; F329-R331 PolarHBondContact O-N 2.74Å; F329-F332 HydrophobicContact CD2-CD1 4.22Å; F329-F332 HydrophobicContact CE2-CD1 4.3Å; F329-F332 WeakPolarHBondContact O-CB 3.27Å; F329-F332 PolarHBondContact O-N 3.01Å; F329-F332 VanDerWaalsContact O-N 3.13Å; F329-L333 HydrophobicContact CD1-CD1 4.11Å; F329-L333 HydrophobicContact CD1-CG 4.4Å; F329-L333 HydrophobicContact CE1-CD1 3.7Å; F329-L333 HydrophobicContact CE1-CD2 4.3Å; F329-L333 HydrophobicContact CE1-CG 4.06Å; F329-L333 HydrophobicContact CE2-CD2 4.36Å; F329-L333 HydrophobicContact CZ-CD1 4.18Å; F329-L333 HydrophobicContact CZ-CD2 3.92Å; F329-L333 HydrophobicContact CZ-CG 4.12Å; F329-L333 WeakPolarHBondContact O-CG 3.28Å; F329-L333 PolarHBondContact O-N 3.18Å; F329-F361 HydrophobicContact CD1-CD1 4.49Å; F329-F361 AromaticContact CD1-CE1 3.81Å; F329-F361 HydrophobicContact CD1-CE1 3.81Å; F329-F361 HydrophobicContact CD1-CE2 4.41Å; F329-F361 AromaticContact CD1-CZ 3.76Å; F329-F361 HydrophobicContact CD1-CZ 3.76Å; F329-F361 HydrophobicContact CE1-CD1 4.26Å; F329-F361 HydrophobicContact CE1-CE1 4.03Å; F329-F361 HydrophobicContact CE1-CZ 4.23Å
330C94.4Very high91.4Very high0 Ų021 Ų210%012%0.12CC..Hα-helixtrans-57.6-44.4173.9-65.10000111.2Y326 H327 L333 A334 Y378 L379Y326-C330 PolarHBondContact O-N 2.84Å; Y326-C330 PolarHBondContact O-SG 2.7Å; H327-C330 WeakPolarHBondContact O-CB 3.36Å; H327-C330 PolarHBondContact O-N 3.05Å; C330-L333 PolarHBondContact O-N 3.01Å; C330-A334 PolarHBondContact O-N 3.36Å; C330-A334 VanDerWaalsContact O-N 3.11Å; C330-Y378 WeakPolarHBondContact O-CB 3.48Å; C330-L379 HydrophobicContact CB-CD2 4.3Å; C330-L379 HydrophobicContact CB-CG 4.35Å
331R93.6Very high91.4Very high31 Ų3125.7 Ų25.712%0.11714%0.142CC..Hα-helixtrans-58-49.1173.2-69.7177.875.5-146.21.7110.9D241 V284 H327 E328 F329 L333 A334 R335 Y378D241-R331 IonicContact OD1-CZ 3.34Å; D241-R331 IonicContact OD1-NH2 3.89Å; D241-R331 PolarHBondContact OD1-NH2 3.43Å; D241-R331 IonicContact OD2-CZ 3.61Å; D241-R331 IonicContact OD2-NE 2.78Å; D241-R331 PolarHBondContact OD2-NE 3.29Å; D241-R331 IonicContact OD2-NH2 2.79Å; D241-R331 PolarHBondContact OD2-NH2 3.46Å; D241-R331 VanDerWaalsContact OD2-NH2 3.13Å; V284-R331 HydrophobicContact CG1-CB 4.2Å; V284-R331 HydrophobicContact CG2-CB 4.11Å; H327-R331 PolarHBondContact O-N 2.86Å; E328-R331 VanDerWaalsContact CD-NH1 3.35Å; E328-R331 PolarHBondContact O-N 2.75Å; E328-R331 IonicContact OE1-CZ 2.68Å; E328-R331 IonicContact OE1-NH1 3.33Å; E328-R331 PolarHBondContact OE1-NH1 3Å; E328-R331 IonicContact OE2-NH1 3.25Å; E328-R331 PolarHBondContact OE2-NH1 2.85Å; E328-R331 VanDerWaalsContact OE2-NH1 3.09Å; F329-R331 VanDerWaalsContact C-N 3.3Å; F329-R331 PolarHBondContact O-N 2.74Å; R331-L333 VanDerWaalsContact C-N 3.34Å; R331-L333 PolarHBondContact O-N 3.11Å; R331-A334 PolarHBondContact O-N 3Å; R331-R335 VanDerWaalsContact O-CG 3.32Å; R331-R335 WeakPolarHBondContact O-CG 2.95Å; R331-R335 PolarHBondContact O-N 3.18Å; R331-Y378 HydrophobicContact CG-CD1 4.02Å; R331-Y378 HydrophobicContact CG-CD2 3.86Å; R331-Y378 HydrophobicContact CG-CE1 3.74Å; R331-Y378 HydrophobicContact CG-CE2 3.6Å; R331-Y378 HydrophobicContact CG-CG 4.06Å
332F94.9Very high91.6Very high0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-56.3-47.3-179.7179.9-159.3000111.6F265 L280 V284 A287 L306 V310 E328 F329 A334 R335 L336F265-F332 AromaticContact CE1-CE1 3.9Å; F265-F332 HydrophobicContact CE1-CE1 3.9Å; F265-F332 HydrophobicContact CE1-CZ 4.35Å; F265-F332 HydrophobicContact CZ-CE1 4.01Å; F265-F332 AromaticContact CZ-CZ 3.98Å; F265-F332 HydrophobicContact CZ-CZ 3.98Å; L280-F332 HydrophobicContact CD1-CD1 4.12Å; V284-F332 HydrophobicContact CG2-CB 3.82Å; A287-F332 HydrophobicContact CB-CD2 3.44Å; A287-F332 VanDerWaalsContact CB-CD2 3.44Å; A287-F332 HydrophobicContact CB-CE2 3.39Å; L306-F332 HydrophobicContact CD2-CE2 4.19Å; L306-F332 HydrophobicContact CD2-CZ 4.14Å; V310-F332 HydrophobicContact CG2-CD1 4.07Å; V310-F332 HydrophobicContact CG2-CE1 3.4Å; V310-F332 VanDerWaalsContact CG2-CE1 3.4Å; V310-F332 HydrophobicContact CG2-CE2 4.32Å; V310-F332 HydrophobicContact CG2-CZ 3.55Å; E328-F332 WeakPolarHBondContact O-CB 3.2Å; E328-F332 PolarHBondContact O-N 3.2Å; F329-F332 HydrophobicContact CD2-CD1 4.22Å; F329-F332 HydrophobicContact CE2-CD1 4.3Å; F329-F332 WeakPolarHBondContact O-CB 3.27Å; F329-F332 PolarHBondContact O-N 3.01Å; F329-F332 VanDerWaalsContact O-N 3.13Å; F332-A334 PolarHBondContact O-N 2.79Å; F332-R335 PolarHBondContact O-N 3Å; F332-L336 HydrophobicContact CD2-CG 4.5Å; F332-L336 HydrophobicContact CE2-CD2 4.04Å; F332-L336 HydrophobicContact CE2-CG 4.2Å; F332-L336 PolarHBondContact O-N 2.95Å
333L95.3Very high91.6Very high1 Ų120.4 Ų20.41%0.00511%0.112CC..Hα-helixtrans-60.2-45.8177.4-65.2-179.9000112.1V310 F329 C330 R331 R335 L336 I358 F361 L379 L382V310-L333 HydrophobicContact CG1-CD2 3.64Å; V310-L333 HydrophobicContact CG2-CD2 4.19Å; F329-L333 HydrophobicContact CD1-CD1 4.11Å; F329-L333 HydrophobicContact CD1-CG 4.4Å; F329-L333 HydrophobicContact CE1-CD1 3.7Å; F329-L333 HydrophobicContact CE1-CD2 4.3Å; F329-L333 HydrophobicContact CE1-CG 4.06Å; F329-L333 HydrophobicContact CE2-CD2 4.36Å; F329-L333 HydrophobicContact CZ-CD1 4.18Å; F329-L333 HydrophobicContact CZ-CD2 3.92Å; F329-L333 HydrophobicContact CZ-CG 4.12Å; F329-L333 WeakPolarHBondContact O-CG 3.28Å; F329-L333 PolarHBondContact O-N 3.18Å; C330-L333 PolarHBondContact O-N 3.01Å; R331-L333 VanDerWaalsContact C-N 3.34Å; R331-L333 PolarHBondContact O-N 3.11Å; L333-R335 VanDerWaalsContact C-N 3.3Å; L333-R335 PolarHBondContact O-N 3.18Å; L333-L336 HydrophobicContact CD2-CD1 4.47Å; L333-L336 WeakPolarHBondContact O-CB 3.22Å; L333-L336 PolarHBondContact O-N 3.4Å; L333-I358 HydrophobicContact CD1-CG1 4.5Å; L333-I358 HydrophobicContact CD1-CG2 4.32Å; L333-I358 HydrophobicContact CD2-CD1 3.93Å; L333-I358 HydrophobicContact CD2-CG1 4.05Å; L333-F361 HydrophobicContact CD1-CD1 4.01Å; L333-F361 HydrophobicContact CD1-CE1 4.08Å; L333-L379 HydrophobicContact CD1-CD2 3.98Å; L333-L382 HydrophobicContact CB-CD2 3.89Å; L333-L382 WeakPolarHBondContact O-CD1 3.16Å
334A93.4Very high91.7Very high0 Ų018.3 Ų18.30%010%0.096CC..Hα-helixtrans-60.6-37.6176.900000112.7L242 C330 R331 F332 L336 T338 Y378L242-A334 HydrophobicContact CD2-CB 3.96Å; C330-A334 PolarHBondContact O-N 3.36Å; C330-A334 VanDerWaalsContact O-N 3.11Å; R331-A334 PolarHBondContact O-N 3Å; F332-A334 PolarHBondContact O-N 2.79Å; A334-L336 VanDerWaalsContact C-N 3.32Å; A334-L336 PolarHBondContact O-N 3.5Å; A334-T338 WeakPolarHBondContact O-CB 3.29Å; A334-T338 PolarHBondContact O-N 3.43Å; A334-T338 VanDerWaalsContact O-N 3.16Å; A334-T338 PolarHBondContact O-OG1 2.81Å; A334-Y378 HydrophobicContact CB-CD1 4.1Å; A334-Y378 HydrophobicContact CB-CG 4.47Å; A334-Y378 WeakPolarHBondContact CB-O 3.32Å
335R91.3Very high91.7Very high11 Ų1117.9 Ų17.94%0.0429%0.09CC..Hα-helixtrans-64.1-33.8177.8-65.4-50.6-170.4116.3-5.8112.5D241 C243 V284 A287 S288 R331 F332 L333 K337 T338 N339D241-R335 PolarHBondContact O-NE 2.63Å; D241-R335 PolarHBondContact O-NH2 2.68Å; D241-R335 IonicContact OD1-NH2 2.65Å; D241-R335 PolarHBondContact OD1-NH2 3.17Å; C243-R335 PolarHBondContact O-NH1 3.27Å; V284-R335 HydrophobicContact CG1-CG 3.97Å; A287-R335 HydrophobicContact CB-CB 4.19Å; S288-R335 VanDerWaalsContact CB-NH1 3.34Å; S288-R335 WeakPolarHBondContact OG-CD 3.28Å; S288-R335 VanDerWaalsContact OG-CG 3.27Å; S288-R335 WeakPolarHBondContact OG-CG 3.43Å; S288-R335 PolarHBondContact OG-NH1 3.33Å; R331-R335 VanDerWaalsContact O-CG 3.32Å; R331-R335 WeakPolarHBondContact O-CG 2.95Å; R331-R335 PolarHBondContact O-N 3.18Å; F332-R335 PolarHBondContact O-N 3Å; L333-R335 VanDerWaalsContact C-N 3.3Å; L333-R335 PolarHBondContact O-N 3.18Å; R335-K337 PolarHBondContact O-N 2.84Å; R335-T338 PolarHBondContact O-N 2.87Å; R335-N339 VanDerWaalsContact O-CB 3.32Å; R335-N339 WeakPolarHBondContact O-CB 3.32Å; R335-N339 PolarHBondContact O-N 3.28Å
336L90.3Very high91.7Very high5 Ų518.2 Ų18.23%0.0269%0.092CC..Hα-helixtrans-56.9-52.1177.6-70.8175.9000112.2L303 L306 I307 V310 F332 L333 A334 Y340L303-L336 HydrophobicContact CD1-CD2 4.37Å; L306-L336 HydrophobicContact CB-CD2 4.09Å; L306-L336 HydrophobicContact CD1-CD2 4.04Å; I307-L336 HydrophobicContact CD1-CD1 3.94Å; V310-L336 HydrophobicContact CG2-CD1 3.94Å; F332-L336 HydrophobicContact CD2-CG 4.5Å; F332-L336 HydrophobicContact CE2-CD2 4.04Å; F332-L336 HydrophobicContact CE2-CG 4.2Å; F332-L336 PolarHBondContact O-N 2.95Å; L333-L336 HydrophobicContact CD2-CD1 4.47Å; L333-L336 WeakPolarHBondContact O-CB 3.22Å; L333-L336 PolarHBondContact O-N 3.4Å; A334-L336 VanDerWaalsContact C-N 3.32Å; A334-L336 PolarHBondContact O-N 3.5Å; L336-Y340 WeakPolarHBondContact O-CB 3.36Å; L336-Y340 WeakPolarHBondContact O-CD2 3.46Å; L336-Y340 PolarHBondContact O-N 3.28Å
337K89.9Confident91.6Very high23 Ų2322.9 Ų22.910%0.112%0.118CC..Hα-helixtrans-76-27.6-179.217858.7-165.258.90113.5R335 L345 L382 R385 M386 S389R335-K337 PolarHBondContact O-N 2.84Å; K337-L345 HydrophobicContact CD-CD1 4.1Å; K337-L382 HydrophobicContact CB-CD1 3.45Å; K337-L382 VanDerWaalsContact CB-CD1 3.45Å; K337-L382 HydrophobicContact CG-CD1 4.41Å; K337-R385 WeakPolarHBondContact CE-O 3.3Å; K337-R385 HydrophobicContact CG-CB 3.74Å; K337-R385 PolarHBondContact NZ-O 3.24Å; K337-R385 VanDerWaalsContact NZ-O 3.13Å; K337-M386 HydrophobicContact CB-CE 4.37Å; K337-M386 HydrophobicContact CB-CG 4.2Å; K337-M386 HydrophobicContact CD-CG 3.78Å; K337-M386 HydrophobicContact CG-CG 3.69Å; K337-S389 WeakPolarHBondContact CE-OG 3.32Å
338T86.1Confident91.5Very high39 Ų3921.1 Ų21.124%0.23911%0.111CC..Hα-helixtrans-67.2-40.5177.8-57.70000111.4L242 A334 R335 R385L242-T338 HydrophobicContact CB-CG2 4.34Å; L242-T338 VanDerWaalsContact O-CG2 3.3Å; L242-T338 WeakPolarHBondContact O-CG2 3.44Å; A334-T338 WeakPolarHBondContact O-CB 3.29Å; A334-T338 PolarHBondContact O-N 3.43Å; A334-T338 VanDerWaalsContact O-N 3.16Å; A334-T338 PolarHBondContact O-OG1 2.81Å; R335-T338 PolarHBondContact O-N 2.87Å; T338-R385 PolarHBondContact OG1-NH1 3.09Å
339N87.4Confident91.3Very high13 Ų1330.1 Ų30.17%0.0715%0.15CC..Hα-helixtrans-89.3-39.8-176.7-170.720.6000112.4T244 A287 T289 R291 R335T244-N339 HydrophobicContact CG2-CB 4.43Å; A287-N339 PolarHBondContact O-ND2 2.99Å; T289-N339 PolarHBondContact O-ND2 2.87Å; R291-N339 WeakPolarHBondContact CD-O 3.4Å; R291-N339 PolarHBondContact N-OD1 3.4Å; R335-N339 VanDerWaalsContact O-CB 3.32Å; R335-N339 WeakPolarHBondContact O-CB 3.32Å; R335-N339 PolarHBondContact O-N 3.28Å
340Y90.2Very high91Very high3 Ų333.4 Ų33.41%0.01217%0.165CC..SBendtrans-104.2146.2-175.8-58.7-85.7000112.8R291 R299 Y302 L303 L306 L336R291-Y340 HydrophobicContact CB-CD1 4.1Å; R291-Y340 HydrophobicContact CB-CE1 3.96Å; R299-Y340 HydrophobicContact CG-CD1 4.33Å; R299-Y340 HydrophobicContact CG-CE1 4.03Å; Y302-Y340 VanDerWaalsContact CD1-OH 3.27Å; Y302-Y340 WeakPolarHBondContact CD1-OH 3.34Å; Y302-Y340 WeakPolarHBondContact CE1-OH 3.38Å; L303-Y340 HydrophobicContact CB-CE1 4.44Å; L303-Y340 HydrophobicContact CD1-CD1 4.07Å; L303-Y340 HydrophobicContact CD1-CD2 3.74Å; L303-Y340 HydrophobicContact CD1-CE1 4.34Å; L303-Y340 HydrophobicContact CD1-CE2 4.04Å; L303-Y340 HydrophobicContact CD1-CG 3.76Å; L303-Y340 HydrophobicContact CD2-CD1 4.11Å; L303-Y340 HydrophobicContact CD2-CG 4.22Å; L303-Y340 HydrophobicContact CG-CD1 4.48Å; L306-Y340 HydrophobicContact CD1-CE2 4.06Å; L336-Y340 WeakPolarHBondContact O-CB 3.36Å; L336-Y340 WeakPolarHBondContact O-CD2 3.46Å; L336-Y340 PolarHBondContact O-N 3.28Å
341Q90.9Very high91Very high109 Ų10934 Ų3451%0.50917%0.167SC..  trans-74.2146.5177.3-79.2169.8-18.600110.6R291 G343 E344 L345R291-Q341 VanDerWaalsContact NH1-CG 3.34Å; Q341-G343 VanDerWaalsContact C-N 3.26Å; Q341-G343 PolarHBondContact O-N 3.07Å; Q341-E344 HydrophobicContact CB-CG 4.05Å; Q341-E344 PolarHBondContact N-OE2 2.92Å; Q341-E344 WeakPolarHBondContact O-CB 3.32Å; Q341-E344 PolarHBondContact O-N 3.2Å; Q341-L345 PolarHBondContact O-N 3.13Å
342L90.1Very high90.9Very high3 Ų335.1 Ų35.12%0.01618%0.184CC..Hα-helixtrans-57.2-41.617717959.5000111.6E344 L345 V346 S389 V390 V393 H399 L401L342-E344 PolarHBondContact O-N 3.45Å; L342-E344 VanDerWaalsContact O-N 3.07Å; L342-L345 PolarHBondContact O-N 2.81Å; L342-L345 VanDerWaalsContact O-N 3.08Å; L342-V346 HydrophobicContact CD1-CG2 3.95Å; L342-V346 HydrophobicContact CG-CG2 4.23Å; L342-V346 VanDerWaalsContact O-CG2 3.31Å; L342-V346 WeakPolarHBondContact O-CG2 3.04Å; L342-V346 PolarHBondContact O-N 3.39Å; L342-V346 VanDerWaalsContact O-N 3.07Å; L342-S389 VanDerWaalsContact CB-OG 3.24Å; L342-S389 WeakPolarHBondContact CB-OG 3.39Å; L342-S389 WeakPolarHBondContact CD2-OG 3.48Å; L342-V390 HydrophobicContact CD2-CG2 4.24Å; L342-V393 HydrophobicContact CB-CG2 3.99Å; L342-V393 HydrophobicContact CD2-CG2 3.52Å; L342-V393 HydrophobicContact CG-CG2 3.72Å; L342-H399 HydrophobicContact CD2-CB 4.48Å; L342-L401 HydrophobicContact CD1-CD1 4.34Å; L342-L401 HydrophobicContact CD2-CD1 3.59Å
343G89.4Confident90.9Very high23 Ų2339.6 Ų39.624%0.23721%0.205CC..Hα-helixtrans-60.1-19.1175.600000114.8Q341 L347Q341-G343 VanDerWaalsContact C-N 3.26Å; Q341-G343 PolarHBondContact O-N 3.07Å; G343-L347 WeakPolarHBondContact O-CD1 3.47Å; G343-L347 VanDerWaalsContact O-CG 3.31Å; G343-L347 WeakPolarHBondContact O-CG 3.25Å
344E90.1Very high90.9Very high27 Ų2739.7 Ų39.713%0.12621%0.205CC..Hα-helixtrans-87.3-39.1173.5-57.5177.6124.300112R291 R299 L303 Q341 L342 V346 L347R291-E344 IonicContact CZ-OE1 2.84Å; R291-E344 IonicContact CZ-OE2 2.78Å; R291-E344 IonicContact NE-OE1 3.75Å; R291-E344 PolarHBondContact NE-OE1 2.91Å; R291-E344 IonicContact NE-OE2 3.7Å; R291-E344 PolarHBondContact NE-OE2 3.27Å; R291-E344 IonicContact NH2-OE1 3.85Å; R291-E344 PolarHBondContact NH2-OE1 2.75Å; R291-E344 IonicContact NH2-OE2 3.13Å; R291-E344 PolarHBondContact NH2-OE2 2.82Å; R299-E344 VanDerWaalsContact CD-OE1 3.3Å; R299-E344 WeakPolarHBondContact CD-OE1 3.35Å; R299-E344 IonicContact CZ-OE1 3.25Å; R299-E344 IonicContact NE-OE1 2.83Å; R299-E344 PolarHBondContact NE-OE1 3.5Å; R299-E344 IonicContact NH1-OE1 2.76Å; R299-E344 PolarHBondContact NH1-OE1 3.34Å; R299-E344 IonicContact NH2-OE1 3.62Å; R299-E344 PolarHBondContact NH2-OE1 3.06Å; L303-E344 HydrophobicContact CD2-CB 4.01Å; Q341-E344 HydrophobicContact CB-CG 4.05Å; Q341-E344 PolarHBondContact N-OE2 2.92Å; Q341-E344 WeakPolarHBondContact O-CB 3.32Å; Q341-E344 PolarHBondContact O-N 3.2Å; L342-E344 PolarHBondContact O-N 3.45Å; L342-E344 VanDerWaalsContact O-N 3.07Å; E344-V346 VanDerWaalsContact C-N 3.31Å; E344-V346 PolarHBondContact O-N 3.44Å; E344-L347 PolarHBondContact O-N 3.12Å
345L91.7Very high91Very high4 Ų439.8 Ų39.82%0.02121%0.206CC..Hα-helixtrans-59.9-44.9177.7-71167.6000110.6L303 I307 K337 Q341 L342 L347 V348 Y351 M386L303-L345 HydrophobicContact CD1-CD2 3.84Å; L303-L345 HydrophobicContact CD2-CD2 4.05Å; L303-L345 HydrophobicContact CD2-CG 4.49Å; L303-L345 HydrophobicContact CG-CD2 4.31Å; I307-L345 HydrophobicContact CD1-CD2 4.01Å; K337-L345 HydrophobicContact CD-CD1 4.1Å; Q341-L345 PolarHBondContact O-N 3.13Å; L342-L345 PolarHBondContact O-N 2.81Å; L342-L345 VanDerWaalsContact O-N 3.08Å; L345-L347 PolarHBondContact O-N 3.29Å; L345-V348 WeakPolarHBondContact O-CB 3.43Å; L345-V348 PolarHBondContact O-N 3.19Å; L345-V348 VanDerWaalsContact O-N 3.11Å; L345-Y351 HydrophobicContact CB-CD2 4.05Å; L345-Y351 HydrophobicContact CB-CE2 3.96Å; L345-Y351 VanDerWaalsContact O-CB 3.3Å; L345-Y351 WeakPolarHBondContact O-CB 3.21Å; L345-Y351 VanDerWaalsContact O-CD2 3.3Å; L345-Y351 WeakPolarHBondContact O-CD2 3.21Å; L345-M386 HydrophobicContact CD1-CE 4.29Å
346V91.9Very high91.3Very high9 Ų939.7 Ų39.76%0.05521%0.208CC..THydrogen-bonded Turntrans-66-24.2-177.9-174.60000112.4L342 E344 V348 Y351 E397 P398 H399L342-V346 HydrophobicContact CD1-CG2 3.95Å; L342-V346 HydrophobicContact CG-CG2 4.23Å; L342-V346 VanDerWaalsContact O-CG2 3.31Å; L342-V346 WeakPolarHBondContact O-CG2 3.04Å; L342-V346 PolarHBondContact O-N 3.39Å; L342-V346 VanDerWaalsContact O-N 3.07Å; E344-V346 VanDerWaalsContact C-N 3.31Å; E344-V346 PolarHBondContact O-N 3.44Å; V346-V348 VanDerWaalsContact C-N 3.29Å; V346-V348 PolarHBondContact O-N 3.23Å; V346-Y351 HydrophobicContact CB-CD1 4.27Å; V346-Y351 HydrophobicContact CB-CE1 4.22Å; V346-Y351 HydrophobicContact CG1-CD1 4.2Å; V346-Y351 HydrophobicContact CG1-CE1 4.2Å; V346-Y351 HydrophobicContact CG2-CD1 4.26Å; V346-Y351 HydrophobicContact CG2-CE1 3.72Å; V346-Y351 HydrophobicContact CG2-CE2 4.42Å; V346-E397 HydrophobicContact CG1-CB 3.47Å; V346-E397 VanDerWaalsContact CG1-CB 3.47Å; V346-E397 WeakPolarHBondContact CG1-O 3.48Å; V346-P398 WeakPolarHBondContact CG1-O 3.39Å; V346-H399 HydrophobicContact CG2-CB 4Å
347L90.2Very high91.6Very high117 Ų11741.6 Ų41.661%0.61322%0.218SC*.THydrogen-bonded Turntrans-79.9-8.1177.4-66.9172.5000113.6G343 E344 L345 E397G343-L347 WeakPolarHBondContact O-CD1 3.47Å; G343-L347 VanDerWaalsContact O-CG 3.31Å; G343-L347 WeakPolarHBondContact O-CG 3.25Å; E344-L347 PolarHBondContact O-N 3.12Å; L345-L347 PolarHBondContact O-N 3.29Å; L347-E397 HydrophobicContact CD2-CG 4.27Å
348V91.3Very high91.9Very high15 Ų1540.9 Ų40.99%0.09122%0.215CC..SBendtrans-75.5130.9175.2-178.30000109L303 I307 L345 V346 E350 Y351L303-V348 HydrophobicContact CD2-CG2 4.03Å; L303-V348 HydrophobicContact CG-CG2 4Å; I307-V348 HydrophobicContact CB-CG1 4.14Å; I307-V348 HydrophobicContact CG1-CG1 4.38Å; I307-V348 HydrophobicContact CG2-CG1 4.02Å; L345-V348 WeakPolarHBondContact O-CB 3.43Å; L345-V348 PolarHBondContact O-N 3.19Å; L345-V348 VanDerWaalsContact O-N 3.11Å; V346-V348 VanDerWaalsContact C-N 3.29Å; V346-V348 PolarHBondContact O-N 3.23Å; V348-E350 VanDerWaalsContact C-N 3.26Å; V348-E350 PolarHBondContact O-N 3.32Å; V348-Y351 WeakPolarHBondContact O-CB 3.36Å; V348-Y351 PolarHBondContact O-N 2.9Å
349K88.6Confident92.4Very high200 Ų20039 Ų3987%0.8720%0.204SC*.THydrogen-bonded Turntrans-56-39-173.2-67.2-177.1178.2-176.90113.3Y351K349-Y351 VanDerWaalsContact C-N 3.3Å; K349-Y351 PolarHBondContact O-N 3.15Å
350E90.7Very high92.8Very high69 Ų6943 Ų4332%0.32223%0.225SC..THydrogen-bonded Turntrans-850.7-177.9-60.979-176.200113.3I307 V348 A352 E353 V354I307-E350 HydrophobicContact CG2-CB 4.35Å; V348-E350 VanDerWaalsContact C-N 3.26Å; V348-E350 PolarHBondContact O-N 3.32Å; E350-A352 PolarHBondContact O-N 3.15Å; E350-E353 PolarHBondContact O-N 2.71Å; E350-V354 HydrophobicContact CB-CG2 4.37Å; E350-V354 WeakPolarHBondContact O-CG2 3.4Å; E350-V354 PolarHBondContact O-N 3.28Å
351Y93.2Very high93Very high11 Ų1144.2 Ų44.24%0.04323%0.23CC..Hα-helixtrans-55.9-50-172.7172.8-101.5000113.4L345 V346 V348 K349 E353 V354 I355 H399L345-Y351 HydrophobicContact CB-CD2 4.05Å; L345-Y351 HydrophobicContact CB-CE2 3.96Å; L345-Y351 VanDerWaalsContact O-CB 3.3Å; L345-Y351 WeakPolarHBondContact O-CB 3.21Å; L345-Y351 VanDerWaalsContact O-CD2 3.3Å; L345-Y351 WeakPolarHBondContact O-CD2 3.21Å; V346-Y351 HydrophobicContact CB-CD1 4.27Å; V346-Y351 HydrophobicContact CB-CE1 4.22Å; V346-Y351 HydrophobicContact CG1-CD1 4.2Å; V346-Y351 HydrophobicContact CG1-CE1 4.2Å; V346-Y351 HydrophobicContact CG2-CD1 4.26Å; V346-Y351 HydrophobicContact CG2-CE1 3.72Å; V346-Y351 HydrophobicContact CG2-CE2 4.42Å; V348-Y351 WeakPolarHBondContact O-CB 3.36Å; V348-Y351 PolarHBondContact O-N 2.9Å; K349-Y351 VanDerWaalsContact C-N 3.3Å; K349-Y351 PolarHBondContact O-N 3.15Å; Y351-E353 PolarHBondContact O-N 3.39Å; Y351-V354 PolarHBondContact O-N 3.44Å; Y351-V354 VanDerWaalsContact O-N 3.16Å; Y351-I355 HydrophobicContact CD1-CG2 4.44Å; Y351-I355 HydrophobicContact CE1-CB 4.42Å; Y351-I355 HydrophobicContact CE1-CG2 4.07Å; Y351-I355 HydrophobicContact CE2-CB 4.13Å; Y351-I355 HydrophobicContact CE2-CG1 4.44Å; Y351-I355 VanDerWaalsContact O-CG2 3.32Å; Y351-I355 WeakPolarHBondContact O-CG2 3.31Å; Y351-I355 PolarHBondContact O-N 3.42Å; Y351-H399 PolarHBondContact OH-O 2.67Å
352A92.8Very high93.2Very high56 Ų5639 Ų3946%0.46321%0.206SC..Hα-helixtrans-59.3-36.8-174.300000112.6E350 I355 L400E350-A352 PolarHBondContact O-N 3.15Å; A352-I355 WeakPolarHBondContact O-CG2 3.3Å; A352-L400 HydrophobicContact CB-CD1 3.94Å
353E94.1Very high93.5Very high94 Ų9440.3 Ų40.344%0.43921%0.212SC..Hα-helixtrans-75.1-45.3176.6-171.7-179176.600111.2K311 E350 Y351 G356 L357K311-E353 VanDerWaalsContact CE-CD 3.46Å; K311-E353 WeakPolarHBondContact CE-OE1 3.48Å; K311-E353 WeakPolarHBondContact CE-OE2 3.45Å; K311-E353 IonicContact NZ-OE1 3.6Å; K311-E353 PolarHBondContact NZ-OE1 3.49Å; K311-E353 IonicContact NZ-OE2 3.55Å; K311-E353 PolarHBondContact NZ-OE2 3Å; E350-E353 PolarHBondContact O-N 2.71Å; Y351-E353 PolarHBondContact O-N 3.39Å; E353-G356 PolarHBondContact O-N 3.35Å; E353-L357 WeakPolarHBondContact O-CG 3.27Å; E353-L357 PolarHBondContact O-N 3.13Å
354V95.5Very high93.6Very high3 Ų342.5 Ų42.52%0.01822%0.221CC..Hα-helixtrans-66.3-40.5-177.9172.90000112.1I307 V310 K311 E350 Y351 G356 L357 I358I307-V354 HydrophobicContact CG2-CB 4.11Å; I307-V354 HydrophobicContact CG2-CG1 4.18Å; I307-V354 HydrophobicContact CG2-CG2 3.79Å; V310-V354 HydrophobicContact CG1-CG1 3.92Å; K311-V354 HydrophobicContact CB-CG2 3.57Å; K311-V354 HydrophobicContact CD-CG2 4.16Å; K311-V354 HydrophobicContact CG-CG2 3.9Å; E350-V354 HydrophobicContact CB-CG2 4.37Å; E350-V354 WeakPolarHBondContact O-CG2 3.4Å; E350-V354 PolarHBondContact O-N 3.28Å; Y351-V354 PolarHBondContact O-N 3.44Å; Y351-V354 VanDerWaalsContact O-N 3.16Å; V354-G356 VanDerWaalsContact C-N 3.27Å; V354-G356 PolarHBondContact O-N 3.05Å; V354-L357 PolarHBondContact O-N 3.39Å; V354-I358 HydrophobicContact CG1-CD1 3.71Å; V354-I358 HydrophobicContact CG1-CG1 4.18Å; V354-I358 VanDerWaalsContact O-CG1 3.27Å; V354-I358 WeakPolarHBondContact O-CG1 3.34Å; V354-I358 PolarHBondContact O-N 2.68Å
355I95.9Very high93.7Very high2 Ų241.5 Ų41.51%0.0122%0.218CC..Hα-helixtrans-64.5-35.1177.5-167.661.2000111.3Y351 A352 I358 A359 W383 M386 L400 Y404Y351-I355 HydrophobicContact CD1-CG2 4.44Å; Y351-I355 HydrophobicContact CE1-CB 4.42Å; Y351-I355 HydrophobicContact CE1-CG2 4.07Å; Y351-I355 HydrophobicContact CE2-CB 4.13Å; Y351-I355 HydrophobicContact CE2-CG1 4.44Å; Y351-I355 VanDerWaalsContact O-CG2 3.32Å; Y351-I355 WeakPolarHBondContact O-CG2 3.31Å; Y351-I355 PolarHBondContact O-N 3.42Å; A352-I355 WeakPolarHBondContact O-CG2 3.3Å; I355-I358 PolarHBondContact O-N 3.38Å; I355-A359 WeakPolarHBondContact O-CB 2.99Å; I355-A359 PolarHBondContact O-N 2.93Å; I355-W383 HydrophobicContact CD1-CH2 3.71Å; I355-W383 HydrophobicContact CD1-CZ2 4.28Å; I355-W383 HydrophobicContact CD1-CZ3 4.26Å; I355-W383 HydrophobicContact CG1-CH2 4.17Å; I355-M386 HydrophobicContact CD1-CE 3.93Å; I355-M386 HydrophobicContact CD1-SD 3.78Å; I355-L400 HydrophobicContact CG2-CB 4.47Å; I355-L400 HydrophobicContact CG2-CD1 4.04Å; I355-Y404 HydrophobicContact CG1-CD2 4.33Å; I355-Y404 HydrophobicContact CG2-CD2 4.42Å; I355-Y404 HydrophobicContact CG2-CE2 3.98Å
356G96.6Very high93.7Very high8 Ų841.3 Ų41.38%0.08222%0.217CC..Hα-helixtrans-64.6-43172.200000112.7E353 V354 A359 N360 Y404E353-G356 PolarHBondContact O-N 3.35Å; V354-G356 VanDerWaalsContact C-N 3.27Å; V354-G356 PolarHBondContact O-N 3.05Å; G356-A359 PolarHBondContact O-N 3.46Å; G356-N360 PolarHBondContact O-N 2.84Å; G356-N360 PolarHBondContact O-ND2 3.08Å; G356-Y404 WeakPolarHBondContact CA-OH 3.13Å
357L96.7Very high93.6Very high46 Ų4645.5 Ų45.524%0.24124%0.235CC..Hα-helixtrans-63.7-41.5174-67.6173.7000112.1K311 L314 E315 E353 V354 A359 N360 F361K311-L357 HydrophobicContact CG-CD1 4.2Å; L314-L357 HydrophobicContact CB-CB 4Å; L314-L357 HydrophobicContact CB-CD1 4.08Å; L314-L357 HydrophobicContact CD1-CB 3.67Å; L314-L357 HydrophobicContact CG-CB 4.37Å; E315-L357 HydrophobicContact CG-CD1 4.26Å; E353-L357 WeakPolarHBondContact O-CG 3.27Å; E353-L357 PolarHBondContact O-N 3.13Å; V354-L357 PolarHBondContact O-N 3.39Å; L357-A359 VanDerWaalsContact C-N 3.34Å; L357-N360 PolarHBondContact O-N 3.43Å; L357-F361 WeakPolarHBondContact O-CB 3.31Å; L357-F361 PolarHBondContact O-N 3.43Å
358I96.6Very high93.3Very high8 Ų845.7 Ų45.74%0.04123%0.233CC..Hα-helixtrans-64-40176.1-68.5168.6000110.7V310 L314 L333 V354 I355 F361 T362 L382 W383V310-I358 HydrophobicContact CG1-CD1 4.32Å; V310-I358 HydrophobicContact CG1-CG1 4.44Å; L314-I358 HydrophobicContact CD1-CG1 3.67Å; L333-I358 HydrophobicContact CD1-CG1 4.5Å; L333-I358 HydrophobicContact CD1-CG2 4.32Å; L333-I358 HydrophobicContact CD2-CD1 3.93Å; L333-I358 HydrophobicContact CD2-CG1 4.05Å; V354-I358 HydrophobicContact CG1-CD1 3.71Å; V354-I358 HydrophobicContact CG1-CG1 4.18Å; V354-I358 VanDerWaalsContact O-CG1 3.27Å; V354-I358 WeakPolarHBondContact O-CG1 3.34Å; V354-I358 PolarHBondContact O-N 2.68Å; I355-I358 PolarHBondContact O-N 3.38Å; I358-F361 PolarHBondContact O-N 3.19Å; I358-T362 WeakPolarHBondContact O-CB 3.38Å; I358-T362 PolarHBondContact O-N 3.04Å; I358-T362 PolarHBondContact O-OG1 3.04Å; I358-L382 HydrophobicContact CG2-CD2 3.86Å; I358-W383 HydrophobicContact CG2-CZ2 3.95Å
359A96.4Very high92.6Very high0 Ų046.9 Ų46.90%024%0.236CC..Hα-helixtrans-62.5-48.6175.900000111.2I355 G356 L357 F361 T362 I363 W383 Y404 I408I355-A359 WeakPolarHBondContact O-CB 2.99Å; I355-A359 PolarHBondContact O-N 2.93Å; G356-A359 PolarHBondContact O-N 3.46Å; L357-A359 VanDerWaalsContact C-N 3.34Å; A359-F361 VanDerWaalsContact C-N 3.34Å; A359-F361 PolarHBondContact O-N 3.07Å; A359-T362 PolarHBondContact O-N 2.99Å; A359-I363 VanDerWaalsContact O-CG1 3.32Å; A359-I363 WeakPolarHBondContact O-CG1 3.27Å; A359-I363 PolarHBondContact O-N 3.39Å; A359-W383 HydrophobicContact CB-CH2 3.97Å; A359-W383 HydrophobicContact CB-CZ2 4Å; A359-Y404 HydrophobicContact CB-CD1 3.42Å; A359-Y404 VanDerWaalsContact CB-CD1 3.42Å; A359-Y404 HydrophobicContact CB-CD2 4.41Å; A359-Y404 HydrophobicContact CB-CE1 4.05Å; A359-Y404 HydrophobicContact CB-CG 3.64Å; A359-I408 HydrophobicContact CB-CD1 4.42Å
360N95.7Very high91.9Very high96 Ų9643.5 Ų43.551%0.51322%0.223SC..Hα-helixtrans-60.8-42.9176.8-71.6-19.4000112.2G356 L357 I363 T364G356-N360 PolarHBondContact O-N 2.84Å; G356-N360 PolarHBondContact O-ND2 3.08Å; L357-N360 PolarHBondContact O-N 3.43Å; N360-I363 PolarHBondContact O-N 3.47Å; N360-T364 WeakPolarHBondContact O-CB 3.41Å; N360-T364 PolarHBondContact O-N 3.01Å; N360-T364 PolarHBondContact O-OG1 3.07Å
361F95.1Very high90.9Very high28 Ų2845.1 Ų45.112%0.12323%0.23CC..Hα-helixtrans-59.1-49173.6176.6-107.8000110.9L314 L320 Y326 F329 L333 L357 I358 A359 I363 T364 S365 L379L314-F361 HydrophobicContact CD2-CB 3.78Å; L314-F361 HydrophobicContact CD2-CD2 4.21Å; L314-F361 HydrophobicContact CD2-CG 3.92Å; L320-F361 HydrophobicContact CD1-CD2 4.27Å; L320-F361 HydrophobicContact CD1-CE2 3.74Å; L320-F361 HydrophobicContact CD1-CZ 4.34Å; Y326-F361 HydrophobicContact CD2-CE2 4.08Å; Y326-F361 AromaticContact CD2-CZ 3.73Å; Y326-F361 HydrophobicContact CD2-CZ 3.73Å; Y326-F361 HydrophobicContact CE2-CE1 4.33Å; Y326-F361 AromaticContact CE2-CE2 3.8Å; Y326-F361 HydrophobicContact CE2-CE2 3.8Å; Y326-F361 AromaticContact CE2-CZ 3.39Å; Y326-F361 HydrophobicContact CE2-CZ 3.39Å; F329-F361 HydrophobicContact CD1-CD1 4.49Å; F329-F361 AromaticContact CD1-CE1 3.81Å; F329-F361 HydrophobicContact CD1-CE1 3.81Å; F329-F361 HydrophobicContact CD1-CE2 4.41Å; F329-F361 AromaticContact CD1-CZ 3.76Å; F329-F361 HydrophobicContact CD1-CZ 3.76Å; F329-F361 HydrophobicContact CE1-CD1 4.26Å; F329-F361 HydrophobicContact CE1-CE1 4.03Å; F329-F361 HydrophobicContact CE1-CZ 4.23Å; L333-F361 HydrophobicContact CD1-CD1 4.01Å; L333-F361 HydrophobicContact CD1-CE1 4.08Å; L357-F361 WeakPolarHBondContact O-CB 3.31Å; L357-F361 PolarHBondContact O-N 3.43Å; I358-F361 PolarHBondContact O-N 3.19Å; A359-F361 VanDerWaalsContact C-N 3.34Å; A359-F361 PolarHBondContact O-N 3.07Å; F361-I363 PolarHBondContact O-N 3.3Å; F361-T364 PolarHBondContact O-N 2.93Å; F361-S365 VanDerWaalsContact O-CB 3.29Å; F361-S365 WeakPolarHBondContact O-CB 3.39Å; F361-S365 PolarHBondContact O-N 3.29Å; F361-S365 PolarHBondContact O-OG 2.96Å; F361-S365 VanDerWaalsContact O-OG 3.05Å; F361-L379 HydrophobicContact CD1-CD2 4.31Å; F361-L379 HydrophobicContact CE1-CD1 4.26Å; F361-L379 HydrophobicContact CE1-CD2 4.03Å
362T95.1Very high89.7Confident0 Ų045.4 Ų45.40%023%0.234CC..Hα-helixtrans-59.7-45.9178.8-55.70000111.9I358 A359 S365 L366 L379 W383 I408I358-T362 WeakPolarHBondContact O-CB 3.38Å; I358-T362 PolarHBondContact O-N 3.04Å; I358-T362 PolarHBondContact O-OG1 3.04Å; A359-T362 PolarHBondContact O-N 2.99Å; T362-S365 WeakPolarHBondContact O-CB 3.32Å; T362-S365 PolarHBondContact O-N 3.13Å; T362-L366 HydrophobicContact CG2-CD1 4.03Å; T362-L366 HydrophobicContact CG2-CG 4.36Å; T362-L366 WeakPolarHBondContact O-CB 3.43Å; T362-L366 VanDerWaalsContact O-CG 3.25Å; T362-L366 WeakPolarHBondContact O-CG 3.31Å; T362-L366 PolarHBondContact O-N 3.03Å; T362-L379 HydrophobicContact CG2-CB 4.23Å; T362-L379 HydrophobicContact CG2-CD1 4.47Å; T362-W383 PolarHBondContact OG1-NE1 2.98Å; T362-I408 HydrophobicContact CG2-CD1 4.42Å; T362-I408 HydrophobicContact CG2-CG1 4.28Å; T362-I408 HydrophobicContact CG2-CG2 3.97Å
363I95.2Very high88.7Confident30 Ų3046 Ų4615%0.15423%0.233CC..Hα-helixtrans-60.6-47.9178.8-70.8165.4000110.4A359 N360 F361 S365 L366 Q367 E407 I408 A411A359-I363 VanDerWaalsContact O-CG1 3.32Å; A359-I363 WeakPolarHBondContact O-CG1 3.27Å; A359-I363 PolarHBondContact O-N 3.39Å; N360-I363 PolarHBondContact O-N 3.47Å; F361-I363 PolarHBondContact O-N 3.3Å; I363-S365 VanDerWaalsContact C-N 3.34Å; I363-S365 PolarHBondContact O-N 3.23Å; I363-L366 PolarHBondContact O-N 3.26Å; I363-Q367 WeakPolarHBondContact O-CG 3.2Å; I363-Q367 PolarHBondContact O-N 2.98Å; I363-E407 HydrophobicContact CD1-CB 3.95Å; I363-I408 HydrophobicContact CD1-CG1 4.49Å; I363-I408 HydrophobicContact CG1-CG1 4.03Å; I363-A411 HydrophobicContact CB-CB 4.24Å; I363-A411 HydrophobicContact CG1-CB 4.02Å; I363-A411 HydrophobicContact CG2-CB 3.84Å
364T92.2Very high88Confident69 Ų6947 Ų4742%0.42324%0.242SC..Hα-helixtrans-61.9-43.7178.9-52.50000110.9N360 F361 L366 Q367 H368N360-T364 WeakPolarHBondContact O-CB 3.41Å; N360-T364 PolarHBondContact O-N 3.01Å; N360-T364 PolarHBondContact O-OG1 3.07Å; F361-T364 PolarHBondContact O-N 2.93Å; T364-L366 VanDerWaalsContact C-N 3.33Å; T364-L366 PolarHBondContact O-N 3.34Å; T364-Q367 PolarHBondContact O-N 2.96Å; T364-H368 PolarHBondContact O-N 2.97Å; T364-H368 PolarHBondContact O-ND1 3.05Å
365S91.9Very high87.6Confident7 Ų747 Ų475%0.04924%0.242CC..Hα-helixtrans-59.2-40174.8-75.20000113.4Y326 F361 T362 I363 Q367 H368Y326-S365 WeakPolarHBondContact CE2-OG 3.47Å; Y326-S365 WeakPolarHBondContact OH-CB 3.37Å; Y326-S365 PolarHBondContact OH-OG 2.86Å; F361-S365 VanDerWaalsContact O-CB 3.29Å; F361-S365 WeakPolarHBondContact O-CB 3.39Å; F361-S365 PolarHBondContact O-N 3.29Å; F361-S365 PolarHBondContact O-OG 2.96Å; F361-S365 VanDerWaalsContact O-OG 3.05Å; T362-S365 WeakPolarHBondContact O-CB 3.32Å; T362-S365 PolarHBondContact O-N 3.13Å; I363-S365 VanDerWaalsContact C-N 3.34Å; I363-S365 PolarHBondContact O-N 3.23Å; S365-Q367 VanDerWaalsContact C-N 3.35Å; S365-H368 CarbonylContact O-C 3.59Å
366L91.7Very high87.2Confident0 Ų047.1 Ų47.10%024%0.242CC..Hα-helixtrans-71.6-31.1178.7-73.1174.6000112.7T362 I363 T364 V376 I408 A411 F412 S415T362-L366 HydrophobicContact CG2-CD1 4.03Å; T362-L366 HydrophobicContact CG2-CG 4.36Å; T362-L366 WeakPolarHBondContact O-CB 3.43Å; T362-L366 VanDerWaalsContact O-CG 3.25Å; T362-L366 WeakPolarHBondContact O-CG 3.31Å; T362-L366 PolarHBondContact O-N 3.03Å; I363-L366 PolarHBondContact O-N 3.26Å; T364-L366 VanDerWaalsContact C-N 3.33Å; T364-L366 PolarHBondContact O-N 3.34Å; L366-V376 HydrophobicContact CD2-CG1 3.59Å; L366-I408 HydrophobicContact CD1-CG2 3.88Å; L366-A411 HydrophobicContact CD1-CB 4.49Å; L366-F412 HydrophobicContact CD1-CB 4.03Å; L366-F412 HydrophobicContact CD1-CD2 4.49Å; L366-F412 HydrophobicContact CD2-CD2 3.74Å; L366-F412 HydrophobicContact CD2-CE2 4.47Å; L366-S415 WeakPolarHBondContact O-CB 3.48Å; L366-S415 PolarHBondContact O-OG 3.49Å
367Q89.9Confident86.9Confident96 Ų9648.1 Ų48.145%0.44925%0.245SC..Hα-helixtrans-72.4-36.2175.1-70.9169.7-15.300111.9I363 T364 S365 W369I363-Q367 WeakPolarHBondContact O-CG 3.2Å; I363-Q367 PolarHBondContact O-N 2.98Å; T364-Q367 PolarHBondContact O-N 2.96Å; S365-Q367 VanDerWaalsContact C-N 3.35Å; Q367-W369 VanDerWaalsContact C-N 3.29Å; Q367-W369 PolarHBondContact O-N 2.85Å
368H85.3Confident86.7Confident122 Ų12247.2 Ų47.257%0.56524%0.238SC*.  trans-90.959176.2-62.482.9000111.5T364 S365 E370 F371T364-H368 PolarHBondContact O-N 2.97Å; T364-H368 PolarHBondContact O-ND1 3.05Å; S365-H368 CarbonylContact O-C 3.59Å; H368-E370 PolarHBondContact O-N 3.45Å; H368-E370 VanDerWaalsContact O-N 3.15Å; H368-F371 PolarHBondContact O-N 3.43Å
369W75.8Confident86.5Confident40 Ų4046.8 Ų46.815%0.15224%0.236CC..THydrogen-bonded Turntrans-63.2-20.8-172.659.4-90000114.5Q367 F371 I422 V423 L428Q367-W369 VanDerWaalsContact C-N 3.29Å; Q367-W369 PolarHBondContact O-N 2.85Å; W369-F371 PolarHBondContact O-N 2.86Å; W369-I422 HydrophobicContact CZ2-CB 4.18Å; W369-I422 HydrophobicContact CZ2-CD1 4.2Å; W369-I422 HydrophobicContact CZ2-CG2 4.16Å; W369-V423 HydrophobicContact CH2-CG2 3.79Å; W369-V423 HydrophobicContact CZ2-CG2 4.48Å; W369-V423 HydrophobicContact CZ3-CG2 4.34Å; W369-L428 HydrophobicContact CH2-CD1 4.13Å
370E73.9Confident86.4Confident129 Ų12946.9 Ų46.960%0.60324%0.236SC*.THydrogen-bonded Turntrans-71.2-25.5-179.3-61.6174.916900113.7H368H368-E370 PolarHBondContact O-N 3.45Å; H368-E370 VanDerWaalsContact O-N 3.15Å
371F68.9Low86.2Confident103 Ų10342.5 Ų42.545%0.45221%0.213SC..SBendtrans-81-34.7-161.5-164.5-102.2000114.4S321 P323 H368 W369S321-F371 VanDerWaalsContact O-CZ 3.25Å; S321-F371 WeakPolarHBondContact O-CZ 3.32Å; P323-F371 HydrophobicContact CB-CE1 4.25Å; P323-F371 HydrophobicContact CB-CZ 4.45Å; P323-F371 HydrophobicContact CG-CE1 3.96Å; P323-F371 HydrophobicContact CG-CE2 4.47Å; P323-F371 HydrophobicContact CG-CZ 3.68Å; H368-F371 PolarHBondContact O-N 3.43Å; W369-F371 PolarHBondContact O-N 2.86Å
372A69.2Low86.2Confident16 Ų1641.2 Ų41.213%0.13221%0.208CC..  trans-167.278.6-177.400000112.7Y326 N374 S375Y326-A372 HydrophobicContact CD1-CB 3.77Å; Y326-A372 HydrophobicContact CE1-CB 3.66Å; A372-N374 VanDerWaalsContact C-N 3.3Å; A372-N374 PolarHBondContact O-N 2.98Å; A372-S375 PolarHBondContact O-N 3.23Å; A372-S375 VanDerWaalsContact O-N 3.15Å
373P70.9Confident86.2Confident68 Ų6841.2 Ų41.244%0.44221%0.208SC..Hα-helixtrans-60.2-37.6-175.922.7-33.1000113S375 V376P373-S375 PolarHBondContact O-N 3.03Å; P373-V376 WeakPolarHBondContact O-CB 3.41Å; P373-V376 PolarHBondContact O-N 2.68Å
374N79.7Confident86.1Confident117 Ų11741.9 Ų41.963%0.62621%0.21SC*.Hα-helixtrans-65.9-24.8-179.4-64.9-24.2000113.4A372A372-N374 VanDerWaalsContact C-N 3.3Å; A372-N374 PolarHBondContact O-N 2.98Å
375S87.6Confident86Confident3 Ų342 Ų422%0.02120%0.203CC..Hα-helixtrans-80.2-26.6-179.9-59.60000112.5Y326 H327 A372 P373 H377 Y378Y326-S375 VanDerWaalsContact CE1-CB 3.49Å; H327-S375 WeakPolarHBondContact CA-OG 3.48Å; H327-S375 PolarHBondContact ND1-OG 3.47Å; A372-S375 PolarHBondContact O-N 3.23Å; A372-S375 VanDerWaalsContact O-N 3.15Å; P373-S375 PolarHBondContact O-N 3.03Å; S375-H377 PolarHBondContact O-N 3.34Å; S375-Y378 PolarHBondContact O-N 3.03Å; S375-Y378 VanDerWaalsContact O-N 3.12Å
376V87.6Confident86.1Confident3 Ų341.9 Ų41.92%0.01820%0.202CC..Hα-helixtrans-59.9-33.3179.3175.80000111.2L366 P373 Y378 L379 L380L366-V376 HydrophobicContact CD2-CG1 3.59Å; P373-V376 WeakPolarHBondContact O-CB 3.41Å; P373-V376 PolarHBondContact O-N 2.68Å; V376-Y378 VanDerWaalsContact C-N 3.26Å; V376-Y378 PolarHBondContact O-N 2.77Å; V376-L379 PolarHBondContact O-N 3.47Å; V376-L379 VanDerWaalsContact O-N 3.13Å; V376-L380 HydrophobicContact CG1-CD1 3.9Å; V376-L380 HydrophobicContact CG1-CG 4Å; V376-L380 PolarHBondContact O-N 3.5Å
377H88.9Confident86Confident29 Ų2942.6 Ų42.613%0.13421%0.206CC..Hα-helixtrans-50.4-44.5174.3172.188.6000112.7S375 L380 T381 Q440 Q444S375-H377 PolarHBondContact O-N 3.34Å; H377-L380 PolarHBondContact O-N 3.42Å; H377-T381 WeakPolarHBondContact O-CB 3.31Å; H377-T381 PolarHBondContact O-N 3.21Å; H377-T381 PolarHBondContact O-OG1 2.93Å; H377-Q440 PolarHBondContact CE1-NE2 3.42Å; H377-Q440 PolarHBondContact ND1-NE2 3.16Å; H377-Q440 PolarHBondContact ND1-OE1 3.25Å; H377-Q444 PolarHBondContact CE1-NE2 2.89Å; H377-Q444 PolarHBondContact ND1-NE2 3.02Å
378Y92.1Very high86Confident27 Ų2740.4 Ų40.411%0.10620%0.204CC..Hα-helixtrans-69.5-37.7-178.4-64.6-74.5000111.8D241 L242 H327 C330 R331 A334 S375 V376 T381 L382D241-Y378 PolarHBondContact OD2-OH 2.93Å; L242-Y378 HydrophobicContact CD2-CD1 4.14Å; L242-Y378 HydrophobicContact CD2-CE1 4.32Å; H327-Y378 AromaticContact CE1-CE2 3.61Å; C330-Y378 WeakPolarHBondContact O-CB 3.48Å; R331-Y378 HydrophobicContact CG-CD1 4.02Å; R331-Y378 HydrophobicContact CG-CD2 3.86Å; R331-Y378 HydrophobicContact CG-CE1 3.74Å; R331-Y378 HydrophobicContact CG-CE2 3.6Å; R331-Y378 HydrophobicContact CG-CG 4.06Å; A334-Y378 HydrophobicContact CB-CD1 4.1Å; A334-Y378 HydrophobicContact CB-CG 4.47Å; A334-Y378 WeakPolarHBondContact CB-O 3.32Å; S375-Y378 PolarHBondContact O-N 3.03Å; S375-Y378 VanDerWaalsContact O-N 3.12Å; V376-Y378 VanDerWaalsContact C-N 3.26Å; V376-Y378 PolarHBondContact O-N 2.77Å; Y378-T381 PolarHBondContact O-N 3.2Å; Y378-L382 WeakPolarHBondContact O-CB 3.34Å; Y378-L382 PolarHBondContact O-N 3.13Å
379L94Very high86.2Confident0 Ų035.5 Ų35.50%018%0.184CC..Hα-helixtrans-66.6-47175.7-61179.2000111.1C330 L333 F361 T362 V376 T381 L382 W383C330-L379 HydrophobicContact CB-CD2 4.3Å; C330-L379 HydrophobicContact CB-CG 4.35Å; L333-L379 HydrophobicContact CD1-CD2 3.98Å; F361-L379 HydrophobicContact CD1-CD2 4.31Å; F361-L379 HydrophobicContact CE1-CD1 4.26Å; F361-L379 HydrophobicContact CE1-CD2 4.03Å; T362-L379 HydrophobicContact CG2-CB 4.23Å; T362-L379 HydrophobicContact CG2-CD1 4.47Å; V376-L379 PolarHBondContact O-N 3.47Å; V376-L379 VanDerWaalsContact O-N 3.13Å; L379-T381 VanDerWaalsContact C-N 3.31Å; L379-T381 PolarHBondContact O-N 2.86Å; L379-L382 VanDerWaalsContact O-CB 3.3Å; L379-L382 WeakPolarHBondContact O-CB 3.4Å; L379-L382 PolarHBondContact O-N 2.92Å; L379-W383 PolarHBondContact O-N 3.33Å; L379-W383 VanDerWaalsContact O-N 3.14Å
380L93.2Very high86.7Confident1 Ų135.3 Ų35.31%0.00519%0.187CC..Hα-helixtrans-63.7-38.8176.8-67.3179000111.7V376 H377 L382 W383 Q384 F412 Q441 Q444V376-L380 HydrophobicContact CG1-CD1 3.9Å; V376-L380 HydrophobicContact CG1-CG 4Å; V376-L380 PolarHBondContact O-N 3.5Å; H377-L380 PolarHBondContact O-N 3.42Å; L380-L382 VanDerWaalsContact C-N 3.35Å; L380-L382 PolarHBondContact O-N 3.48Å; L380-W383 PolarHBondContact O-N 2.75Å; L380-Q384 VanDerWaalsContact O-CB 3.27Å; L380-Q384 WeakPolarHBondContact O-CB 3.41Å; L380-Q384 PolarHBondContact O-N 2.75Å; L380-F412 HydrophobicContact CD1-CD2 4.24Å; L380-F412 HydrophobicContact CD1-CE2 3.82Å; L380-F412 HydrophobicContact CD2-CD2 4.14Å; L380-Q441 HydrophobicContact CD1-CB 3.79Å; L380-Q441 HydrophobicContact CD1-CG 3.86Å; L380-Q444 HydrophobicContact CB-CB 3.8Å; L380-Q444 HydrophobicContact CB-CG 4.48Å; L380-Q444 VanDerWaalsContact CB-OE1 3.3Å
381T92.3Very high87.1Confident4 Ų433.7 Ų33.73%0.02519%0.188CC..Hα-helixtrans-62-41.3174.1-590000112.3L242 H377 Y378 L379 W383 Q384 R385 Q444L242-T381 HydrophobicContact CD1-CG2 3.7Å; H377-T381 WeakPolarHBondContact O-CB 3.31Å; H377-T381 PolarHBondContact O-N 3.21Å; H377-T381 PolarHBondContact O-OG1 2.93Å; Y378-T381 PolarHBondContact O-N 3.2Å; L379-T381 VanDerWaalsContact C-N 3.31Å; L379-T381 PolarHBondContact O-N 2.86Å; T381-W383 PolarHBondContact O-N 3.18Å; T381-Q384 PolarHBondContact O-N 3.16Å; T381-R385 HydrophobicContact CG2-CG 4.22Å; T381-R385 WeakPolarHBondContact O-CB 3.43Å; T381-R385 VanDerWaalsContact O-CG 3.32Å; T381-R385 WeakPolarHBondContact O-CG 3.3Å; T381-R385 PolarHBondContact O-N 2.95Å; T381-Q444 PolarHBondContact OG1-NE2 3.48Å
382L94.4Very high87.8Confident2 Ų236.6 Ų36.61%0.0120%0.2CC..Hα-helixtrans-54.9-53.4174.9171.364.4000110.4L333 K337 I358 Y378 L379 L380 R385 M386L333-L382 HydrophobicContact CB-CD2 3.89Å; L333-L382 WeakPolarHBondContact O-CD1 3.16Å; K337-L382 HydrophobicContact CB-CD1 3.45Å; K337-L382 VanDerWaalsContact CB-CD1 3.45Å; K337-L382 HydrophobicContact CG-CD1 4.41Å; I358-L382 HydrophobicContact CG2-CD2 3.86Å; Y378-L382 WeakPolarHBondContact O-CB 3.34Å; Y378-L382 PolarHBondContact O-N 3.13Å; L379-L382 VanDerWaalsContact O-CB 3.3Å; L379-L382 WeakPolarHBondContact O-CB 3.4Å; L379-L382 PolarHBondContact O-N 2.92Å; L380-L382 VanDerWaalsContact C-N 3.35Å; L380-L382 PolarHBondContact O-N 3.48Å; L382-R385 PolarHBondContact O-N 2.88Å; L382-M386 HydrophobicContact CD1-CE 3.61Å; L382-M386 HydrophobicContact CD1-CG 4.34Å; L382-M386 HydrophobicContact CD1-SD 4.17Å; L382-M386 HydrophobicContact CG-CE 4.22Å; L382-M386 HydrophobicContact CG-SD 4.28Å; L382-M386 WeakPolarHBondContact O-CB 3.39Å; L382-M386 VanDerWaalsContact O-CG 3.31Å; L382-M386 WeakPolarHBondContact O-CG 3.44Å; L382-M386 PolarHBondContact O-N 2.67Å
383W95.4Very high88.4Confident0 Ų037.3 Ų37.30%020%0.203CC..Hα-helixtrans-67.8-42.4-178.2-70.8106.6000112.4I355 I358 A359 T362 L379 L380 T381 R385 M386 V387 L401 I408 V448I355-W383 HydrophobicContact CD1-CH2 3.71Å; I355-W383 HydrophobicContact CD1-CZ2 4.28Å; I355-W383 HydrophobicContact CD1-CZ3 4.26Å; I355-W383 HydrophobicContact CG1-CH2 4.17Å; I358-W383 HydrophobicContact CG2-CZ2 3.95Å; A359-W383 HydrophobicContact CB-CH2 3.97Å; A359-W383 HydrophobicContact CB-CZ2 4Å; T362-W383 PolarHBondContact OG1-NE1 2.98Å; L379-W383 PolarHBondContact O-N 3.33Å; L379-W383 VanDerWaalsContact O-N 3.14Å; L380-W383 PolarHBondContact O-N 2.75Å; T381-W383 PolarHBondContact O-N 3.18Å; W383-R385 VanDerWaalsContact C-N 3.34Å; W383-R385 PolarHBondContact O-N 2.88Å; W383-M386 HydrophobicContact CE3-SD 4.44Å; W383-M386 PolarHBondContact O-N 2.91Å; W383-V387 WeakPolarHBondContact O-CG2 3.48Å; W383-V387 PolarHBondContact O-N 3.42Å; W383-L401 HydrophobicContact CE3-CD2 4.13Å; W383-L401 HydrophobicContact CZ3-CD2 3.62Å; W383-I408 HydrophobicContact CD2-CD1 3.33Å; W383-I408 HydrophobicContact CE3-CD1 3.61Å; W383-I408 HydrophobicContact CG-CD1 3.97Å; W383-I408 HydrophobicContact CH2-CD1 3.49Å; W383-I408 VanDerWaalsContact CH2-CD1 3.49Å; W383-I408 HydrophobicContact CZ2-CD1 3.21Å; W383-I408 HydrophobicContact CZ3-CD1 3.67Å; W383-V448 HydrophobicContact CB-CG1 4.29Å; W383-V448 HydrophobicContact CB-CG2 3.7Å
384Q92.9Very high88.8Confident43 Ų4344 Ų4420%0.20123%0.225CC..Hα-helixtrans-54.6-50.9174.1-175-162.925.400110.4L380 T381 M386 V387 A388 Q444 T447 V448L380-Q384 VanDerWaalsContact O-CB 3.27Å; L380-Q384 WeakPolarHBondContact O-CB 3.41Å; L380-Q384 PolarHBondContact O-N 2.75Å; T381-Q384 PolarHBondContact O-N 3.16Å; Q384-M386 PolarHBondContact O-N 2.94Å; Q384-V387 PolarHBondContact O-N 3.36Å; Q384-A388 VanDerWaalsContact O-CB 3.22Å; Q384-A388 WeakPolarHBondContact O-CB 3.45Å; Q384-A388 PolarHBondContact O-N 3.24Å; Q384-Q444 HydrophobicContact CB-CB 4.38Å; Q384-T447 HydrophobicContact CG-CG2 4.35Å; Q384-V448 HydrophobicContact CB-CG2 4.36Å
385R91.4Very high88.6Confident71 Ų7140.1 Ų40.127%0.26821%0.207SC..Hα-helixtrans-69.5-31.5-179.6-70.3-176.7175.6178.4-0.2112.6D240 K337 T338 T381 L382 W383 S389D240-R385 IonicContact OD2-NH2 3.21Å; K337-R385 WeakPolarHBondContact CE-O 3.3Å; K337-R385 HydrophobicContact CG-CB 3.74Å; K337-R385 PolarHBondContact NZ-O 3.24Å; K337-R385 VanDerWaalsContact NZ-O 3.13Å; T338-R385 PolarHBondContact OG1-NH1 3.09Å; T381-R385 HydrophobicContact CG2-CG 4.22Å; T381-R385 WeakPolarHBondContact O-CB 3.43Å; T381-R385 VanDerWaalsContact O-CG 3.32Å; T381-R385 WeakPolarHBondContact O-CG 3.3Å; T381-R385 PolarHBondContact O-N 2.95Å; L382-R385 PolarHBondContact O-N 2.88Å; W383-R385 VanDerWaalsContact C-N 3.34Å; W383-R385 PolarHBondContact O-N 2.88Å; R385-S389 PolarHBondContact O-N 3.46Å; R385-S389 PolarHBondContact O-OG 2.99Å
386M92.6Very high88.2Confident6 Ų645.1 Ų45.13%0.0325%0.249CC..Hα-helixtrans-64.5-55.8173-81.2-173.4171.500110.4K337 L345 I355 L382 W383 Q384 A388 S389 V390 L401K337-M386 HydrophobicContact CB-CE 4.37Å; K337-M386 HydrophobicContact CB-CG 4.2Å; K337-M386 HydrophobicContact CD-CG 3.78Å; K337-M386 HydrophobicContact CG-CG 3.69Å; L345-M386 HydrophobicContact CD1-CE 4.29Å; I355-M386 HydrophobicContact CD1-CE 3.93Å; I355-M386 HydrophobicContact CD1-SD 3.78Å; L382-M386 HydrophobicContact CD1-CE 3.61Å; L382-M386 HydrophobicContact CD1-CG 4.34Å; L382-M386 HydrophobicContact CD1-SD 4.17Å; L382-M386 HydrophobicContact CG-CE 4.22Å; L382-M386 HydrophobicContact CG-SD 4.28Å; L382-M386 WeakPolarHBondContact O-CB 3.39Å; L382-M386 VanDerWaalsContact O-CG 3.31Å; L382-M386 WeakPolarHBondContact O-CG 3.44Å; L382-M386 PolarHBondContact O-N 2.67Å; W383-M386 HydrophobicContact CE3-SD 4.44Å; W383-M386 PolarHBondContact O-N 2.91Å; Q384-M386 PolarHBondContact O-N 2.94Å; M386-A388 PolarHBondContact O-N 3.43Å; M386-S389 PolarHBondContact O-N 2.83Å; M386-S389 VanDerWaalsContact O-N 3.09Å; M386-S389 PolarHBondContact O-OG 3.45Å; M386-V390 PolarHBondContact O-N 2.93Å; M386-L401 HydrophobicContact CB-CD1 3.86Å; M386-L401 HydrophobicContact CB-CD2 4.09Å; M386-L401 HydrophobicContact SD-CD2 4.01Å
387V90.8Very high88Confident14 Ų1450.3 Ų50.39%0.08527%0.273CS..Hα-helixtrans-63.2-44.6-178.2173.80000111.8W383 Q384 S389 V390 A405 T447 C451W383-V387 WeakPolarHBondContact O-CG2 3.48Å; W383-V387 PolarHBondContact O-N 3.42Å; Q384-V387 PolarHBondContact O-N 3.36Å; V387-S389 PolarHBondContact O-N 2.85Å; V387-V390 WeakPolarHBondContact O-CB 3.45Å; V387-V390 WeakPolarHBondContact O-CG2 3.03Å; V387-V390 PolarHBondContact O-N 3.18Å; V387-A405 HydrophobicContact CG2-CB 3.96Å; V387-T447 HydrophobicContact CB-CG2 4.35Å; V387-T447 HydrophobicContact CG1-CG2 4.12Å; V387-T447 WeakPolarHBondContact CG1-O 3.45Å; V387-C451 HydrophobicContact CG1-CB 3.78Å; V387-C451 HydrophobicContact CG2-CB 4.19Å
388A89.1Confident87.9Confident50 Ų5052.9 Ų52.941%0.41329%0.292SS..Hα-helixtrans-57-24.4176.500000113.3Q384 M386 T447Q384-A388 VanDerWaalsContact O-CB 3.22Å; Q384-A388 WeakPolarHBondContact O-CB 3.45Å; Q384-A388 PolarHBondContact O-N 3.24Å; M386-A388 PolarHBondContact O-N 3.43Å; A388-T447 HydrophobicContact CB-CG2 4.04Å
389S88.4Confident87.8Confident19 Ų1953.1 Ų53.113%0.13329%0.294CS..THydrogen-bonded Turntrans-90.6-9.2-179.167.80000114.9K337 L342 R385 M386 V387 P391 F392K337-S389 WeakPolarHBondContact CE-OG 3.32Å; L342-S389 VanDerWaalsContact CB-OG 3.24Å; L342-S389 WeakPolarHBondContact CB-OG 3.39Å; L342-S389 WeakPolarHBondContact CD2-OG 3.48Å; R385-S389 PolarHBondContact O-N 3.46Å; R385-S389 PolarHBondContact O-OG 2.99Å; M386-S389 PolarHBondContact O-N 2.83Å; M386-S389 VanDerWaalsContact O-N 3.09Å; M386-S389 PolarHBondContact O-OG 3.45Å; V387-S389 PolarHBondContact O-N 2.85Å; S389-P391 VanDerWaalsContact C-CD 3.49Å; S389-F392 PolarHBondContact O-N 3.25Å
390V87.4Confident87.7Confident37 Ų3755.5 Ų55.522%0.22431%0.307CS..G310 helixtrans-52.5-47.3-179.2170.70000112.8L342 M386 V387 F392 V393 L401L342-V390 HydrophobicContact CD2-CG2 4.24Å; M386-V390 PolarHBondContact O-N 2.93Å; V387-V390 WeakPolarHBondContact O-CB 3.45Å; V387-V390 WeakPolarHBondContact O-CG2 3.03Å; V387-V390 PolarHBondContact O-N 3.18Å; V390-F392 PolarHBondContact O-N 3.34Å; V390-V393 PolarHBondContact O-N 3.26Å; V390-V393 VanDerWaalsContact O-N 3.07Å; V390-L401 HydrophobicContact CG2-CB 4.47Å; V390-L401 HydrophobicContact CG2-CD1 3.56Å
391P82.4Confident87.6Confident95 Ų9555.4 Ų55.462%0.61731%0.306SS*.G310 helixtrans-61.5-17-178.9-23.435.1000114.5S389S389-P391 VanDerWaalsContact C-CD 3.49Å
392F83.3Confident87.5Confident164 Ų16458.1 Ų58.172%0.71932%0.321SS*.G310 helixtrans-101-2.1-177.1-53.7-77.2000113.2S389 V390 K394S389-F392 PolarHBondContact O-N 3.25Å; V390-F392 PolarHBondContact O-N 3.34Å; F392-K394 PolarHBondContact O-N 3.12Å
393V82.6Confident87.5Confident31 Ų3162.2 Ų62.219%0.18835%0.346CS..  trans-76.8117.3178.1-178.80000109.4L342 V390L342-V393 HydrophobicContact CB-CG2 3.99Å; L342-V393 HydrophobicContact CD2-CG2 3.52Å; L342-V393 HydrophobicContact CG-CG2 3.72Å; V390-V393 PolarHBondContact O-N 3.26Å; V390-V393 VanDerWaalsContact O-N 3.07Å
394K79.3Confident87.5Confident208 Ų20864.8 Ų64.890%0.90436%0.356SS*.  trans-99.7-2.1174.5-61.5-175.2179.7-177.10113.5F392F392-K394 PolarHBondContact O-N 3.12Å
395S75.1Confident87.5Confident35 Ų3562.7 Ų62.725%0.24535%0.346CS..  trans-67.8144.2-178.8-169.50000110.3E397S395-E397 VanDerWaalsContact C-N 3.3Å; S395-E397 PolarHBondContact OG-N 3.26Å
396A79Confident87.6Confident109 Ų10959.9 Ų59.990%0.90134%0.337SS*.SBendtrans-76.3-21.317300000112.5
397E82.5Confident87.8Confident111 Ų11164 Ų6452%0.51936%0.356SS..SBendtrans-70.5140.6179.2-64.1-64160.900111.2V346 L347 S395V346-E397 HydrophobicContact CG1-CB 3.47Å; V346-E397 VanDerWaalsContact CG1-CB 3.47Å; V346-E397 WeakPolarHBondContact CG1-O 3.48Å; L347-E397 HydrophobicContact CD2-CG 4.27Å; S395-E397 VanDerWaalsContact C-N 3.3Å; S395-E397 PolarHBondContact OG-N 3.26Å
398P87.5Confident88Confident84 Ų8463.3 Ų63.355%0.54535%0.352SS..  trans-73.3131.8-175.629.5-34.2000111.9V346 L400V346-P398 WeakPolarHBondContact CG1-O 3.39Å; P398-L400 HydrophobicContact CB-CD2 4.24Å
399H90Very high88.3Confident31 Ų3161 Ų6114%0.14433%0.333CS..  trans-80.5-14.4176.955.974.6000114.2L342 V346 Y351 L401 D402L342-H399 HydrophobicContact CD2-CB 4.48Å; V346-H399 HydrophobicContact CG2-CB 4Å; Y351-H399 PolarHBondContact OH-O 2.67Å; H399-L401 HydrophobicContact CB-CD1 4.49Å; H399-L401 HydrophobicContact CB-CG 4.27Å; H399-L401 WeakPolarHBondContact ND1-CB 2.81Å; H399-L401 PolarHBondContact ND1-N 3.37Å; H399-L401 PolarHBondContact O-N 3.28Å; H399-D402 IonicContact CE1-OD1 2.67Å; H399-D402 IonicContact CE1-OD2 2.86Å; H399-D402 PolarHBondContact CE1-OD2 3.27Å; H399-D402 IonicContact NE2-OD2 2.69Å
400L92.7Very high88.7Confident50 Ų5064.7 Ų64.726%0.26235%0.347SS..  trans58.9-1.2179.5-54176.8000116.4A352 I355 P398 D402 T403 Y404A352-L400 HydrophobicContact CB-CD1 3.94Å; I355-L400 HydrophobicContact CG2-CB 4.47Å; I355-L400 HydrophobicContact CG2-CD1 4.04Å; P398-L400 HydrophobicContact CB-CD2 4.24Å; L400-D402 PolarHBondContact O-N 2.93Å; L400-T403 WeakPolarHBondContact O-CB 3.43Å; L400-T403 PolarHBondContact O-N 2.99Å; L400-Y404 HydrophobicContact CB-CD2 4.03Å; L400-Y404 HydrophobicContact CB-CE2 3.85Å; L400-Y404 HydrophobicContact CD1-CE2 4.27Å; L400-Y404 WeakPolarHBondContact O-CD2 3.36Å; L400-Y404 PolarHBondContact O-N 2.92Å
401L91.5Very high89Confident0 Ų063.2 Ų63.20%034%0.338CS..Hα-helixtrans-58.9-32.1178.2-58.1177.8000113.3L342 W383 M386 V390 H399 T403 Y404 A405L342-L401 HydrophobicContact CD1-CD1 4.34Å; L342-L401 HydrophobicContact CD2-CD1 3.59Å; W383-L401 HydrophobicContact CE3-CD2 4.13Å; W383-L401 HydrophobicContact CZ3-CD2 3.62Å; M386-L401 HydrophobicContact CB-CD1 3.86Å; M386-L401 HydrophobicContact CB-CD2 4.09Å; M386-L401 HydrophobicContact SD-CD2 4.01Å; V390-L401 HydrophobicContact CG2-CB 4.47Å; V390-L401 HydrophobicContact CG2-CD1 3.56Å; H399-L401 HydrophobicContact CB-CD1 4.49Å; H399-L401 HydrophobicContact CB-CG 4.27Å; H399-L401 WeakPolarHBondContact ND1-CB 2.81Å; H399-L401 PolarHBondContact ND1-N 3.37Å; H399-L401 PolarHBondContact O-N 3.28Å; L401-T403 PolarHBondContact O-N 2.77Å; L401-Y404 PolarHBondContact O-N 3.26Å; L401-A405 WeakPolarHBondContact O-CB 3.34Å; L401-A405 PolarHBondContact O-N 3.12Å
402D89.8Confident89.6Confident61 Ų6158.7 Ų58.733%0.32631%0.308SS..Hα-helixtrans-66.4-18176.2-49.8-38.1000112.8H399 L400 P406 C451 E452H399-D402 IonicContact CE1-OD1 2.67Å; H399-D402 IonicContact CE1-OD2 2.86Å; H399-D402 PolarHBondContact CE1-OD2 3.27Å; H399-D402 IonicContact NE2-OD2 2.69Å; L400-D402 PolarHBondContact O-N 2.93Å; D402-P406 WeakPolarHBondContact O-CD 3.22Å; D402-P406 WeakPolarHBondContact O-CG 3.19Å; D402-C451 PolarHBondContact OD1-SG 3.1Å; D402-C451 VanDerWaalsContact OD1-SG 3.4Å; D402-E452 HydrophobicContact CB-CG 3.9Å; D402-E452 WeakPolarHBondContact O-CG 3.45Å
403T93.1Very high90.2Very high87 Ų8750.9 Ų50.953%0.53427%0.274SS..Hα-helixtrans-89.1-46.6173.7-55.10000111.2L400 L401L400-T403 WeakPolarHBondContact O-CB 3.43Å; L400-T403 PolarHBondContact O-N 2.99Å; L401-T403 PolarHBondContact O-N 2.77Å
404Y95.4Very high90.8Very high54 Ų5451 Ų5121%0.21228%0.275CS..Hα-helixtrans-88.8-33.8-170.7-64.2-59.2000114.8I355 G356 A359 L400 L401 E407 I408I355-Y404 HydrophobicContact CG1-CD2 4.33Å; I355-Y404 HydrophobicContact CG2-CD2 4.42Å; I355-Y404 HydrophobicContact CG2-CE2 3.98Å; G356-Y404 WeakPolarHBondContact CA-OH 3.13Å; A359-Y404 HydrophobicContact CB-CD1 3.42Å; A359-Y404 VanDerWaalsContact CB-CD1 3.42Å; A359-Y404 HydrophobicContact CB-CD2 4.41Å; A359-Y404 HydrophobicContact CB-CE1 4.05Å; A359-Y404 HydrophobicContact CB-CG 3.64Å; L400-Y404 HydrophobicContact CB-CD2 4.03Å; L400-Y404 HydrophobicContact CB-CE2 3.85Å; L400-Y404 HydrophobicContact CD1-CE2 4.27Å; L400-Y404 WeakPolarHBondContact O-CD2 3.36Å; L400-Y404 PolarHBondContact O-N 2.92Å; L401-Y404 PolarHBondContact O-N 3.26Å; Y404-E407 PolarHBondContact O-N 3.17Å; Y404-I408 WeakPolarHBondContact O-CD1 3.3Å; Y404-I408 WeakPolarHBondContact O-CG1 3.35Å; Y404-I408 PolarHBondContact O-N 3.2Å
405A93.8Very high91.5Very high0 Ų041.1 Ų41.10%023%0.232CC..Hα-helixtrans-59.6-4318000000112.4V387 L401 E407 I408 T409 V448 C451V387-A405 HydrophobicContact CG2-CB 3.96Å; L401-A405 WeakPolarHBondContact O-CB 3.34Å; L401-A405 PolarHBondContact O-N 3.12Å; A405-E407 PolarHBondContact O-N 2.99Å; A405-I408 PolarHBondContact O-N 3.44Å; A405-T409 PolarHBondContact O-N 3.19Å; A405-T409 PolarHBondContact O-OG1 3.26Å; A405-V448 HydrophobicContact CB-CG1 3.89Å; A405-C451 HydrophobicContact CB-CB 3.82Å
406P94.1Very high92.3Very high12 Ų1240.1 Ų40.18%0.07822%0.223CC..Hα-helixtrans-63.2-38.7175.7-26.238.6000113.5D402 I408 T409 K410 E452 K455D402-P406 WeakPolarHBondContact O-CD 3.22Å; D402-P406 WeakPolarHBondContact O-CG 3.19Å; P406-I408 VanDerWaalsContact C-N 3.33Å; P406-I408 PolarHBondContact O-N 2.86Å; P406-T409 PolarHBondContact O-N 2.85Å; P406-K410 VanDerWaalsContact O-CB 3.28Å; P406-K410 WeakPolarHBondContact O-CB 3.45Å; P406-K410 PolarHBondContact O-N 3.44Å; P406-E452 HydrophobicContact CG-CB 3.75Å; P406-E452 HydrophobicContact CG-CG 4.05Å; P406-K455 HydrophobicContact CB-CD 4.27Å; P406-K455 HydrophobicContact CG-CD 4.35Å
407E95.7Very high93.1Very high91 Ų9135.4 Ų35.443%0.42518%0.183SC..Hα-helixtrans-65.5-37.5177.2-66.7-60.1141.300111.7I363 Y404 A405 K410 A411I363-E407 HydrophobicContact CD1-CB 3.95Å; Y404-E407 PolarHBondContact O-N 3.17Å; A405-E407 PolarHBondContact O-N 2.99Å; E407-K410 PolarHBondContact O-N 2.61Å; E407-A411 WeakPolarHBondContact O-CB 3.33Å; E407-A411 PolarHBondContact O-N 3.2Å
408I95.7Very high93.5Very high0 Ų035.6 Ų35.60%018%0.183CC..Hα-helixtrans-70.2-43.6176.5-68.7160.1000111.1A359 T362 I363 L366 W383 Y404 A405 P406 K410 A411 F412A359-I408 HydrophobicContact CB-CD1 4.42Å; T362-I408 HydrophobicContact CG2-CD1 4.42Å; T362-I408 HydrophobicContact CG2-CG1 4.28Å; T362-I408 HydrophobicContact CG2-CG2 3.97Å; I363-I408 HydrophobicContact CD1-CG1 4.49Å; I363-I408 HydrophobicContact CG1-CG1 4.03Å; L366-I408 HydrophobicContact CD1-CG2 3.88Å; W383-I408 HydrophobicContact CD2-CD1 3.33Å; W383-I408 HydrophobicContact CE3-CD1 3.61Å; W383-I408 HydrophobicContact CG-CD1 3.97Å; W383-I408 HydrophobicContact CH2-CD1 3.49Å; W383-I408 VanDerWaalsContact CH2-CD1 3.49Å; W383-I408 HydrophobicContact CZ2-CD1 3.21Å; W383-I408 HydrophobicContact CZ3-CD1 3.67Å; Y404-I408 WeakPolarHBondContact O-CD1 3.3Å; Y404-I408 WeakPolarHBondContact O-CG1 3.35Å; Y404-I408 PolarHBondContact O-N 3.2Å; A405-I408 PolarHBondContact O-N 3.44Å; P406-I408 VanDerWaalsContact C-N 3.33Å; P406-I408 PolarHBondContact O-N 2.86Å; I408-K410 VanDerWaalsContact C-N 3.31Å; I408-K410 PolarHBondContact O-N 3.05Å; I408-A411 PolarHBondContact O-N 3.18Å; I408-F412 WeakPolarHBondContact O-CB 3.35Å; I408-F412 PolarHBondContact O-N 3.28Å
409T94.9Very high93.7Very high2 Ų231.6 Ų31.61%0.01216%0.158CC..Hα-helixtrans-59.5-45.1173.9-65.40000110.7A405 P406 F412 I413 L445 S449 T456A405-T409 PolarHBondContact O-N 3.19Å; A405-T409 PolarHBondContact O-OG1 3.26Å; P406-T409 PolarHBondContact O-N 2.85Å; T409-F412 PolarHBondContact O-N 3.38Å; T409-I413 HydrophobicContact CG2-CD1 3.7Å; T409-I413 HydrophobicContact CG2-CG1 4.45Å; T409-I413 VanDerWaalsContact O-CG1 3.23Å; T409-I413 WeakPolarHBondContact O-CG1 3.14Å; T409-I413 PolarHBondContact O-N 3.14Å; T409-L445 HydrophobicContact CG2-CD1 4.44Å; T409-S449 WeakPolarHBondContact OG1-CA 3.27Å; T409-T456 HydrophobicContact CG2-CG2 3.95Å
410K96.2Very high93.8Very high97 Ų9730.2 Ų30.242%0.42215%0.152SC..Hα-helixtrans-58.6-50.4174.7178.2179.9176.2-1710111.6P406 E407 I408 F412 I413 T414 L459P406-K410 VanDerWaalsContact O-CB 3.28Å; P406-K410 WeakPolarHBondContact O-CB 3.45Å; P406-K410 PolarHBondContact O-N 3.44Å; E407-K410 PolarHBondContact O-N 2.61Å; I408-K410 VanDerWaalsContact C-N 3.31Å; I408-K410 PolarHBondContact O-N 3.05Å; K410-F412 VanDerWaalsContact C-N 3.33Å; K410-F412 PolarHBondContact O-N 3.31Å; K410-I413 PolarHBondContact O-N 3.24Å; K410-T414 HydrophobicContact CG-CG2 4.39Å; K410-T414 WeakPolarHBondContact O-CG2 3.24Å; K410-T414 PolarHBondContact O-N 3.19Å; K410-T414 PolarHBondContact O-OG1 2.87Å; K410-T414 VanDerWaalsContact O-OG1 3.04Å; K410-L459 HydrophobicContact CB-CD2 3.74Å; K410-L459 HydrophobicContact CG-CD2 3.74Å
411A95.6Very high93.8Very high5 Ų528.6 Ų28.64%0.04115%0.145CC..Hα-helixtrans-59.9-40.9179.500000112.6I363 L366 E407 I408 T414 S415I363-A411 HydrophobicContact CB-CB 4.24Å; I363-A411 HydrophobicContact CG1-CB 4.02Å; I363-A411 HydrophobicContact CG2-CB 3.84Å; L366-A411 HydrophobicContact CD1-CB 4.49Å; E407-A411 WeakPolarHBondContact O-CB 3.33Å; E407-A411 PolarHBondContact O-N 3.2Å; I408-A411 PolarHBondContact O-N 3.18Å; A411-T414 PolarHBondContact O-OG1 3.04Å; A411-S415 VanDerWaalsContact O-CB 3.22Å; A411-S415 WeakPolarHBondContact O-CB 3.35Å; A411-S415 PolarHBondContact O-N 3.34Å; A411-S415 PolarHBondContact O-OG 3.09Å
412F94.9Very high93.7Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-61.6-50.4174.5-175.6-81.6000111.1L366 L380 I408 T409 K410 S415 R416 Q441 L445 W494 L498L366-F412 HydrophobicContact CD1-CB 4.03Å; L366-F412 HydrophobicContact CD1-CD2 4.49Å; L366-F412 HydrophobicContact CD2-CD2 3.74Å; L366-F412 HydrophobicContact CD2-CE2 4.47Å; L380-F412 HydrophobicContact CD1-CD2 4.24Å; L380-F412 HydrophobicContact CD1-CE2 3.82Å; L380-F412 HydrophobicContact CD2-CD2 4.14Å; I408-F412 WeakPolarHBondContact O-CB 3.35Å; I408-F412 PolarHBondContact O-N 3.28Å; T409-F412 PolarHBondContact O-N 3.38Å; K410-F412 VanDerWaalsContact C-N 3.33Å; K410-F412 PolarHBondContact O-N 3.31Å; F412-S415 PolarHBondContact O-OG 3.09Å; F412-R416 HydrophobicContact CD1-CG 4.14Å; F412-R416 HydrophobicContact CE1-CG 3.81Å; F412-R416 HydrophobicContact CZ-CG 4.1Å; F412-R416 VanDerWaalsContact O-CG 3.26Å; F412-R416 WeakPolarHBondContact O-CG 3.3Å; F412-R416 PolarHBondContact O-N 2.68Å; F412-R416 VanDerWaalsContact O-N 3.15Å; F412-Q441 HydrophobicContact CE2-CB 4.43Å; F412-Q441 HydrophobicContact CZ-CB 4.3Å; F412-L445 HydrophobicContact CB-CD1 4.04Å; F412-L445 HydrophobicContact CD1-CD1 4.26Å; F412-L445 HydrophobicContact CD1-CD2 3.33Å; F412-L445 HydrophobicContact CD1-CG 4.38Å; F412-L445 HydrophobicContact CE1-CD2 3.58Å; F412-L445 HydrophobicContact CG-CD1 4.01Å; F412-L445 HydrophobicContact CG-CD2 3.95Å; F412-L445 HydrophobicContact CZ-CD2 4.37Å; F412-W494 HydrophobicContact CE1-CZ3 4.45Å; F412-L498 HydrophobicContact CD1-CD2 4.31Å; F412-L498 HydrophobicContact CE1-CD2 4.15Å
413I95.3Very high93.7Very high1 Ų128.8 Ų28.81%0.00515%0.146CC..Hα-helixtrans-61.4-51.4-177.8-67.1166.2000110T409 K410 S415 R416 L417 L459 L460 L463 L498T409-I413 HydrophobicContact CG2-CD1 3.7Å; T409-I413 HydrophobicContact CG2-CG1 4.45Å; T409-I413 VanDerWaalsContact O-CG1 3.23Å; T409-I413 WeakPolarHBondContact O-CG1 3.14Å; T409-I413 PolarHBondContact O-N 3.14Å; K410-I413 PolarHBondContact O-N 3.24Å; I413-S415 PolarHBondContact O-N 3.49Å; I413-R416 PolarHBondContact O-N 3.21Å; I413-L417 HydrophobicContact CG2-CD1 4.1Å; I413-L417 WeakPolarHBondContact O-CG 3.47Å; I413-L417 PolarHBondContact O-N 3.48Å; I413-L417 VanDerWaalsContact O-N 3.17Å; I413-L459 HydrophobicContact CD1-CD2 4.07Å; I413-L460 HydrophobicContact CD1-CD2 3.81Å; I413-L460 HydrophobicContact CD1-CG 4.26Å; I413-L460 HydrophobicContact CG1-CD2 4.49Å; I413-L460 HydrophobicContact CG2-CD2 4.36Å; I413-L463 HydrophobicContact CG2-CD1 3.56Å; I413-L498 HydrophobicContact CB-CD1 4.3Å; I413-L498 HydrophobicContact CG1-CD1 3.9Å; I413-L498 HydrophobicContact CG1-CD2 4.08Å; I413-L498 HydrophobicContact CG2-CD1 3.94Å
414T95.2Very high93.5Very high32 Ų3226.5 Ų26.520%0.19613%0.131CC..Hα-helixtrans-64.9-41.2-17755.80000111.7K410 A411 R416 L417 E418K410-T414 HydrophobicContact CG-CG2 4.39Å; K410-T414 WeakPolarHBondContact O-CG2 3.24Å; K410-T414 PolarHBondContact O-N 3.19Å; K410-T414 PolarHBondContact O-OG1 2.87Å; K410-T414 VanDerWaalsContact O-OG1 3.04Å; A411-T414 PolarHBondContact O-OG1 3.04Å; T414-R416 VanDerWaalsContact C-N 3.34Å; T414-R416 PolarHBondContact O-N 3.13Å; T414-L417 PolarHBondContact O-N 3.39Å; T414-L417 VanDerWaalsContact O-N 3.16Å; T414-E418 WeakPolarHBondContact O-CB 3.33Å; T414-E418 VanDerWaalsContact O-CG 3.3Å; T414-E418 WeakPolarHBondContact O-CG 3.48Å; T414-E418 PolarHBondContact O-N 2.86Å
415S93.2Very high93.2Very high1 Ų131.5 Ų31.51%0.00715%0.15CC..Hα-helixtrans-65.3-36.8-17977.30000112.6L366 A411 F412 I413 S419L366-S415 WeakPolarHBondContact O-CB 3.48Å; L366-S415 PolarHBondContact O-OG 3.49Å; A411-S415 VanDerWaalsContact O-CB 3.22Å; A411-S415 WeakPolarHBondContact O-CB 3.35Å; A411-S415 PolarHBondContact O-N 3.34Å; A411-S415 PolarHBondContact O-OG 3.09Å; F412-S415 PolarHBondContact O-OG 3.09Å; I413-S415 PolarHBondContact O-N 3.49Å; S415-S419 WeakPolarHBondContact O-CB 3.49Å; S415-S419 PolarHBondContact O-N 3.5Å
416R93Very high92.9Very high14 Ų1436.5 Ų36.55%0.05318%0.177CC..Hα-helixtrans-68.8-32.4173.7-63.4-61.9179.1-97.43.7113.2F412 I413 T414 S419 V420 Q441 W494F412-R416 HydrophobicContact CD1-CG 4.14Å; F412-R416 HydrophobicContact CE1-CG 3.81Å; F412-R416 HydrophobicContact CZ-CG 4.1Å; F412-R416 VanDerWaalsContact O-CG 3.26Å; F412-R416 WeakPolarHBondContact O-CG 3.3Å; F412-R416 PolarHBondContact O-N 2.68Å; F412-R416 VanDerWaalsContact O-N 3.15Å; I413-R416 PolarHBondContact O-N 3.21Å; T414-R416 VanDerWaalsContact C-N 3.34Å; T414-R416 PolarHBondContact O-N 3.13Å; R416-S419 PolarHBondContact O-OG 3.36Å; R416-V420 WeakPolarHBondContact O-CG2 3.41Å; R416-Q441 VanDerWaalsContact NH2-OE1 3.1Å; R416-W494 HydrophobicContact CB-CD2 3.89Å; R416-W494 HydrophobicContact CB-CE3 4.03Å; R416-W494 HydrophobicContact CB-CG 4.36Å; R416-W494 HydrophobicContact CB-CZ2 4.38Å; R416-W494 HydrophobicContact CB-CZ3 4.35Å; R416-W494 HydrophobicContact CG-CD2 4.46Å; R416-W494 HydrophobicContact CG-CE3 4.24Å; R416-W494 HydrophobicContact CG-CH2 4.09Å; R416-W494 HydrophobicContact CG-CZ2 4.3Å; R416-W494 HydrophobicContact CG-CZ3 4.05Å
417L93.9Very high92.4Very high10 Ų1043 Ų435%0.05221%0.211CC..Hα-helixtrans-76.8-32.4175.8-62.5176.9000113I413 T414 L463 R491 W494 L495I413-L417 HydrophobicContact CG2-CD1 4.1Å; I413-L417 WeakPolarHBondContact O-CG 3.47Å; I413-L417 PolarHBondContact O-N 3.48Å; I413-L417 VanDerWaalsContact O-N 3.17Å; T414-L417 PolarHBondContact O-N 3.39Å; T414-L417 VanDerWaalsContact O-N 3.16Å; L417-L463 HydrophobicContact CD1-CB 4.31Å; L417-L463 HydrophobicContact CD1-CD1 3.84Å; L417-L463 HydrophobicContact CD1-CD2 4.29Å; L417-L463 HydrophobicContact CD1-CG 4.39Å; L417-R491 HydrophobicContact CB-CG 4.38Å; L417-R491 HydrophobicContact CD2-CB 3.99Å; L417-R491 HydrophobicContact CD2-CG 4.12Å; L417-R491 WeakPolarHBondContact CD2-O 3.48Å; L417-R491 PolarHBondContact O-NE 2.9Å; L417-W494 HydrophobicContact CD2-CB 3.87Å; L417-L495 HydrophobicContact CD1-CD2 4.03Å; L417-L495 HydrophobicContact CD1-CG 4.33Å; L417-L495 HydrophobicContact CD2-CD1 4.31Å; L417-L495 HydrophobicContact CD2-CD2 4.34Å; L417-L495 HydrophobicContact CD2-CG 3.86Å
418E92.7Very high91.9Very high115 Ų11542.3 Ų42.354%0.53721%0.21SC..Hα-helixtrans-70.3-41.2174-73.2168.9-175.500110.9T414 V420 A421T414-E418 WeakPolarHBondContact O-CB 3.33Å; T414-E418 VanDerWaalsContact O-CG 3.3Å; T414-E418 WeakPolarHBondContact O-CG 3.48Å; T414-E418 PolarHBondContact O-N 2.86Å; E418-V420 VanDerWaalsContact C-N 3.26Å; E418-V420 PolarHBondContact O-N 2.84Å; E418-A421 PolarHBondContact O-N 3.4Å
419S90.8Very high91.4Very high1 Ų150.5 Ų50.51%0.00725%0.248CC..Hα-helixtrans-59.9-33.9179.672.10000113S415 R416 A421 I422 V423S415-S419 WeakPolarHBondContact O-CB 3.49Å; S415-S419 PolarHBondContact O-N 3.5Å; R416-S419 PolarHBondContact O-OG 3.36Å; S419-A421 PolarHBondContact O-N 3.22Å; S419-I422 PolarHBondContact O-N 3.5Å; S419-V423 VanDerWaalsContact O-CG2 3.31Å; S419-V423 WeakPolarHBondContact O-CG2 3.47Å; S419-V423 PolarHBondContact O-N 2.96Å
420V92.6Very high90.9Very high2 Ų251 Ų511%0.01225%0.25CS..Hα-helixtrans-54.3-42178175.30000111.9R416 E418 I422 V424 I487 R491R416-V420 WeakPolarHBondContact O-CG2 3.41Å; E418-V420 VanDerWaalsContact C-N 3.26Å; E418-V420 PolarHBondContact O-N 2.84Å; V420-I422 VanDerWaalsContact C-N 3.31Å; V420-I422 PolarHBondContact O-N 2.83Å; V420-V424 HydrophobicContact CG1-CG2 4.22Å; V420-V424 WeakPolarHBondContact O-CB 3.18Å; V420-V424 VanDerWaalsContact O-CG2 3.23Å; V420-V424 WeakPolarHBondContact O-CG2 3.38Å; V420-V424 PolarHBondContact O-N 2.9Å; V420-I487 HydrophobicContact CG1-CG2 4.38Å; V420-I487 WeakPolarHBondContact CG1-O 3.22Å; V420-R491 HydrophobicContact CB-CG 4.08Å; V420-R491 HydrophobicContact CG1-CG 4.2Å; V420-R491 HydrophobicContact CG2-CG 4.21Å
421A91.5Very high90.4Very high15 Ų1548.2 Ų48.212%0.12424%0.242CC..Hα-helixtrans-67.2-35.3-178.800000112E418 S419 R425 I487E418-A421 PolarHBondContact O-N 3.4Å; S419-A421 PolarHBondContact O-N 3.22Å; A421-R425 VanDerWaalsContact O-CB 3.27Å; A421-R425 WeakPolarHBondContact O-CB 3.06Å; A421-R425 WeakPolarHBondContact O-CD 3.22Å; A421-R425 WeakPolarHBondContact O-CG 3.06Å; A421-R425 PolarHBondContact O-N 2.94Å; A421-I487 HydrophobicContact CB-CD1 4.3Å; A421-I487 HydrophobicContact CB-CG2 4.21Å
422I90.3Very high89.9Confident58 Ų5848.4 Ų48.430%0.29724%0.243SC..Hα-helixtrans-71.3-52.3177.9-57.7173.4000109.2W369 S419 V420 V424 R425 D426 L428W369-I422 HydrophobicContact CZ2-CB 4.18Å; W369-I422 HydrophobicContact CZ2-CD1 4.2Å; W369-I422 HydrophobicContact CZ2-CG2 4.16Å; S419-I422 PolarHBondContact O-N 3.5Å; V420-I422 VanDerWaalsContact C-N 3.31Å; V420-I422 PolarHBondContact O-N 2.83Å; I422-V424 VanDerWaalsContact C-N 3.32Å; I422-V424 PolarHBondContact O-N 3.2Å; I422-R425 PolarHBondContact O-N 3.37Å; I422-D426 WeakPolarHBondContact CG2-OD2 3.29Å; I422-D426 WeakPolarHBondContact O-CB 3.18Å; I422-D426 PolarHBondContact O-N 3.18Å; I422-L428 HydrophobicContact CG2-CD1 3.98Å
423V89.4Confident89.5Confident7 Ų753.2 Ų53.24%0.04227%0.269CS..Hα-helixtrans-53.5-47.3179.2169.80000111.8W369 S419 N427 L428 D430W369-V423 HydrophobicContact CH2-CG2 3.79Å; W369-V423 HydrophobicContact CZ2-CG2 4.48Å; W369-V423 HydrophobicContact CZ3-CG2 4.34Å; S419-V423 VanDerWaalsContact O-CG2 3.31Å; S419-V423 WeakPolarHBondContact O-CG2 3.47Å; S419-V423 PolarHBondContact O-N 2.96Å; V423-N427 VanDerWaalsContact O-CA 3.3Å; V423-N427 WeakPolarHBondContact O-CA 3.47Å; V423-N427 PolarHBondContact O-N 3.18Å; V423-L428 HydrophobicContact CG2-CB 4.47Å; V423-L428 PolarHBondContact O-N 2.96Å; V423-L428 VanDerWaalsContact O-N 3.09Å; V423-D430 HydrophobicContact CG1-CB 3.84Å
424V88.5Confident89.1Confident39 Ų3956.8 Ų56.824%0.23629%0.288CS..Hα-helixtrans-71.3-37.9-178.4174.50000112.3V420 I422 V483 A486 I487V420-V424 HydrophobicContact CG1-CG2 4.22Å; V420-V424 WeakPolarHBondContact O-CB 3.18Å; V420-V424 VanDerWaalsContact O-CG2 3.23Å; V420-V424 WeakPolarHBondContact O-CG2 3.38Å; V420-V424 PolarHBondContact O-N 2.9Å; I422-V424 VanDerWaalsContact C-N 3.32Å; I422-V424 PolarHBondContact O-N 3.2Å; V424-V483 HydrophobicContact CG1-CG1 4.14Å; V424-A486 HydrophobicContact CG1-CB 4.03Å; V424-I487 HydrophobicContact CB-CG1 3.94Å; V424-I487 HydrophobicContact CG1-CG1 3.92Å; V424-I487 HydrophobicContact CG2-CG1 4.31Å
425R89.6Confident88.5Confident159 Ų15957.8 Ų57.860%0.629%0.294SS*.Hα-helixtrans-77.5-38.8-177.5-72.7174.6179.1-175.1-1.4112.5A421 I422 V483 I487A421-R425 VanDerWaalsContact O-CB 3.27Å; A421-R425 WeakPolarHBondContact O-CB 3.06Å; A421-R425 WeakPolarHBondContact O-CD 3.22Å; A421-R425 WeakPolarHBondContact O-CG 3.06Å; A421-R425 PolarHBondContact O-N 2.94Å; I422-R425 PolarHBondContact O-N 3.37Å; R425-V483 HydrophobicContact CG-CG1 4.38Å; R425-I487 HydrophobicContact CG-CD1 4.37Å
426D87.9Confident88.2Confident106 Ų10661 Ų6157%0.56732%0.321SS*.Hα-helixtrans-95.41-175-60.4-17.7000112.1I422 L428I422-D426 WeakPolarHBondContact CG2-OD2 3.29Å; I422-D426 WeakPolarHBondContact O-CB 3.18Å; I422-D426 PolarHBondContact O-N 3.18Å; D426-L428 VanDerWaalsContact C-N 3.26Å; D426-L428 HydrophobicContact CB-CD1 4.33Å; D426-L428 HydrophobicContact CB-CD2 4.37Å; D426-L428 HydrophobicContact CB-CG 3.94Å; D426-L428 PolarHBondContact O-N 3.47Å
427N84.3Confident87.8Confident147 Ų14762 Ų6279%0.78633%0.328SS*.THydrogen-bonded Turntrans50.943.5-176.5-65.4-54.5000112.7V423V423-N427 VanDerWaalsContact O-CA 3.3Å; V423-N427 WeakPolarHBondContact O-CA 3.47Å; V423-N427 PolarHBondContact O-N 3.18Å
428L85.1Confident87.5Confident78 Ų7861.9 Ų61.941%0.40833%0.328SS..PPolyproline II helixtrans-77.3164.4174.3-55.9176.3000110.5W369 I422 V423 D426 D430W369-L428 HydrophobicContact CH2-CD1 4.13Å; I422-L428 HydrophobicContact CG2-CD1 3.98Å; V423-L428 HydrophobicContact CG2-CB 4.47Å; V423-L428 PolarHBondContact O-N 2.96Å; V423-L428 VanDerWaalsContact O-N 3.09Å; D426-L428 VanDerWaalsContact C-N 3.26Å; D426-L428 HydrophobicContact CB-CD1 4.33Å; D426-L428 HydrophobicContact CB-CD2 4.37Å; D426-L428 HydrophobicContact CB-CG 3.94Å; D426-L428 PolarHBondContact O-N 3.47Å; L428-D430 PolarHBondContact O-N 3.16Å
429E84Confident87.3Confident172 Ų17258.2 Ų58.280%0.80431%0.31SS*.PPolyproline II helixtrans-61.7127.2172-170.2173.1-173.900109.7P431E429-P431 WeakPolarHBondContact O-CD 3.32Å
430D85Confident87.2Confident11 Ų1162.4 Ų62.46%0.05933%0.329CS..PPolyproline II helixtrans-79.8123.7-177.6-169.7-26.1000109.8V423 L428 L432 D433 K544V423-D430 HydrophobicContact CG1-CB 3.84Å; L428-D430 PolarHBondContact O-N 3.16Å; D430-L432 PolarHBondContact O-N 3.27Å; D430-L432 WeakPolarHBondContact OD1-CB 3.44Å; D430-L432 PolarHBondContact OD1-N 2.82Å; D430-D433 WeakPolarHBondContact O-CB 3.28Å; D430-D433 PolarHBondContact O-N 2.96Å; D430-K544 IonicContact OD2-NZ 3.17Å; D430-K544 PolarHBondContact OD2-NZ 3.45Å
431P84.7Confident87.1Confident39 Ų3962.8 Ų62.825%0.25333%0.331SS..G310 helixtrans-55.6-25.7175.9-25.234.1000114.1E429 D433 D434 V438 W494E429-P431 WeakPolarHBondContact O-CD 3.32Å; P431-D433 PolarHBondContact O-N 3.2Å; P431-D434 PolarHBondContact O-N 2.92Å; P431-V438 WeakPolarHBondContact O-CG2 3.41Å; P431-W494 HydrophobicContact CB-CZ2 4.22Å
432L86.3Confident87.1Confident10 Ų1062.1 Ų62.15%0.05233%0.325CS..G310 helixtrans-67.3-19.2176.5-70.7177.5000113.9D430 D434 V438 A493 W494 Y497D430-L432 PolarHBondContact O-N 3.27Å; D430-L432 WeakPolarHBondContact OD1-CB 3.44Å; D430-L432 PolarHBondContact OD1-N 2.82Å; L432-D434 VanDerWaalsContact C-N 3.34Å; L432-V438 HydrophobicContact CD2-CG1 4.41Å; L432-A493 HydrophobicContact CD1-CB 4.04Å; L432-W494 HydrophobicContact CD1-CG 4.5Å; L432-W494 HydrophobicContact CD2-CD2 3.92Å; L432-W494 HydrophobicContact CD2-CE3 4.37Å; L432-W494 HydrophobicContact CD2-CG 4.39Å; L432-W494 HydrophobicContact CD2-CH2 4.16Å; L432-W494 HydrophobicContact CD2-CZ2 3.68Å; L432-W494 HydrophobicContact CD2-CZ3 4.48Å; L432-W494 HydrophobicContact CG-CD2 4.49Å; L432-W494 HydrophobicContact CG-CZ2 4.05Å; L432-Y497 HydrophobicContact CD2-CD2 3.8Å; L432-Y497 HydrophobicContact CD2-CE2 3.84Å
433D85.7Confident87Confident101 Ų10165.8 Ų65.854%0.5434%0.341SS..G310 helixtrans-74-28.8179.4-61.8-22.8000110.9D430 P431 T435 K544D430-D433 WeakPolarHBondContact O-CB 3.28Å; D430-D433 PolarHBondContact O-N 2.96Å; P431-D433 PolarHBondContact O-N 3.2Å; D433-T435 VanDerWaalsContact C-N 3.35Å; D433-T435 PolarHBondContact O-N 3.5Å; D433-T435 VanDerWaalsContact O-N 3.13Å; D433-K544 IonicContact OD1-NZ 2.88Å
434D86.2Confident87Confident76 Ų7665.8 Ų65.841%0.40634%0.341SS..  trans-85.872.4168.9-1742.9000111.8P431 L432 A436 T437 V438P431-D434 PolarHBondContact O-N 2.92Å; L432-D434 VanDerWaalsContact C-N 3.34Å; D434-A436 PolarHBondContact O-N 3.21Å; D434-A436 VanDerWaalsContact O-N 3.11Å; D434-A436 PolarHBondContact OD1-N 3.41Å; D434-T437 VanDerWaalsContact CG-OG1 3.31Å; D434-T437 PolarHBondContact O-N 3.32Å; D434-T437 PolarHBondContact OD1-N 3.14Å; D434-T437 WeakPolarHBondContact OD2-CB 3.33Å; D434-T437 PolarHBondContact OD2-OG1 3.49Å; D434-V438 WeakPolarHBondContact O-CG2 3.26Å; D434-V438 PolarHBondContact O-N 2.89Å
435T84.3Confident87.1Confident52 Ų5264 Ų6432%0.31933%0.33SS..Hα-helixtrans-56.8-27.5-179.757.70000114D433 F439D433-T435 VanDerWaalsContact C-N 3.35Å; D433-T435 PolarHBondContact O-N 3.5Å; D433-T435 VanDerWaalsContact O-N 3.13Å; T435-F439 HydrophobicContact CG2-CZ 4.43Å; T435-F439 VanDerWaalsContact O-CB 3.3Å; T435-F439 WeakPolarHBondContact O-CB 3.28Å; T435-F439 VanDerWaalsContact O-CD2 3.29Å; T435-F439 WeakPolarHBondContact O-CD2 3.43Å; T435-F439 WeakPolarHBondContact O-CG 3.49Å; T435-F439 PolarHBondContact O-N 2.93Å
436A85.8Confident87.1Confident70 Ų7057.1 Ų57.158%0.57931%0.306SS*.Hα-helixtrans-69.5-49.2-179.500000111D434 Q440D434-A436 PolarHBondContact O-N 3.21Å; D434-A436 VanDerWaalsContact O-N 3.11Å; D434-A436 PolarHBondContact OD1-N 3.41Å; A436-Q440 WeakPolarHBondContact O-CB 3.48Å; A436-Q440 PolarHBondContact O-N 2.86Å; A436-Q440 VanDerWaalsContact O-N 3.11Å
437T84.6Confident87.1Confident35 Ų3553.8 Ų53.822%0.21529%0.29CS..Hα-helixtrans-65.9-42.1177.1-61.30000111.3D434 Q440 Q441D434-T437 VanDerWaalsContact CG-OG1 3.31Å; D434-T437 PolarHBondContact O-N 3.32Å; D434-T437 PolarHBondContact OD1-N 3.14Å; D434-T437 WeakPolarHBondContact OD2-CB 3.33Å; D434-T437 PolarHBondContact OD2-OG1 3.49Å; T437-Q440 PolarHBondContact O-N 3.47Å; T437-Q441 HydrophobicContact CG2-CG 4.48Å; T437-Q441 WeakPolarHBondContact O-CG 3.27Å; T437-Q441 PolarHBondContact O-N 3.49Å
438V87.7Confident87.5Confident6 Ų646.8 Ų46.84%0.03625%0.252CS..Hα-helixtrans-61.3-48.2177.9172.20000111.3P431 L432 D434 Q440 Q441 L442 W494P431-V438 WeakPolarHBondContact O-CG2 3.41Å; L432-V438 HydrophobicContact CD2-CG1 4.41Å; D434-V438 WeakPolarHBondContact O-CG2 3.26Å; D434-V438 PolarHBondContact O-N 2.89Å; V438-Q440 VanDerWaalsContact C-N 3.3Å; V438-Q440 PolarHBondContact O-N 3.49Å; V438-Q441 PolarHBondContact O-N 3.41Å; V438-L442 HydrophobicContact CG1-CD1 3.71Å; V438-L442 HydrophobicContact CG1-CG 4.15Å; V438-L442 WeakPolarHBondContact O-CB 3.32Å; V438-L442 VanDerWaalsContact O-CG 3.24Å; V438-L442 WeakPolarHBondContact O-CG 3.41Å; V438-L442 PolarHBondContact O-N 2.89Å; V438-W494 HydrophobicContact CG1-CH2 4.06Å; V438-W494 HydrophobicContact CG1-CZ3 4.2Å; V438-W494 HydrophobicContact CG2-CH2 4.08Å
439F89.7Confident87.8Confident39 Ų3943.1 Ų43.117%0.17123%0.233CC..Hα-helixtrans-63.9-36.5179.9-65.9-12.2000112.2T435 L442 E443 Y497 W551T435-F439 HydrophobicContact CG2-CZ 4.43Å; T435-F439 VanDerWaalsContact O-CB 3.3Å; T435-F439 WeakPolarHBondContact O-CB 3.28Å; T435-F439 VanDerWaalsContact O-CD2 3.29Å; T435-F439 WeakPolarHBondContact O-CD2 3.43Å; T435-F439 WeakPolarHBondContact O-CG 3.49Å; T435-F439 PolarHBondContact O-N 2.93Å; F439-L442 HydrophobicContact CD1-CD1 4.36Å; F439-L442 PolarHBondContact O-N 3.31Å; F439-E443 WeakPolarHBondContact O-CB 3.25Å; F439-E443 PolarHBondContact O-N 2.74Å; F439-Y497 HydrophobicContact CE1-CD1 4.13Å; F439-Y497 AromaticContact CE1-CE1 3.54Å; F439-Y497 HydrophobicContact CE1-CE1 3.54Å; F439-Y497 HydrophobicContact CZ-CE1 4.18Å; F439-W551 HydrophobicContact CB-CH2 4.4Å; F439-W551 HydrophobicContact CD1-CE3 4.27Å; F439-W551 HydrophobicContact CD1-CH2 4.21Å; F439-W551 HydrophobicContact CD1-CZ2 4.5Å; F439-W551 HydrophobicContact CD1-CZ3 4.1Å; F439-W551 HydrophobicContact CD2-CZ3 4.03Å; F439-W551 HydrophobicContact CE1-CD2 4.23Å; F439-W551 AromaticContact CE1-CE3 3.97Å; F439-W551 HydrophobicContact CE1-CE3 3.97Å; F439-W551 HydrophobicContact CE1-CZ3 4.23Å; F439-W551 HydrophobicContact CE2-CE3 4.26Å; F439-W551 HydrophobicContact CE2-CZ3 4.15Å; F439-W551 HydrophobicContact CG-CH2 4.14Å; F439-W551 HydrophobicContact CG-CZ3 4.02Å; F439-W551 AromaticContact CZ-CE3 3.96Å; F439-W551 HydrophobicContact CZ-CE3 3.96Å; F439-W551 HydrophobicContact CZ-CZ3 4.25Å
440Q88.2Confident88Confident88 Ų8837 Ų3741%0.41120%0.202SC..Hα-helixtrans-64.6-45.8174.4-168.2-174.448.600112.1H377 A436 T437 V438 L442 E443 Q444H377-Q440 PolarHBondContact CE1-NE2 3.42Å; H377-Q440 PolarHBondContact ND1-NE2 3.16Å; H377-Q440 PolarHBondContact ND1-OE1 3.25Å; A436-Q440 WeakPolarHBondContact O-CB 3.48Å; A436-Q440 PolarHBondContact O-N 2.86Å; A436-Q440 VanDerWaalsContact O-N 3.11Å; T437-Q440 PolarHBondContact O-N 3.47Å; V438-Q440 VanDerWaalsContact C-N 3.3Å; V438-Q440 PolarHBondContact O-N 3.49Å; Q440-L442 VanDerWaalsContact C-N 3.34Å; Q440-L442 PolarHBondContact O-N 2.8Å; Q440-E443 PolarHBondContact O-N 2.89Å; Q440-Q444 VanDerWaalsContact O-CG 3.32Å; Q440-Q444 WeakPolarHBondContact O-CG 3.27Å; Q440-Q444 PolarHBondContact O-N 2.87Å; Q440-Q444 VanDerWaalsContact O-N 3.12Å
441Q90.4Very high88.1Confident11 Ų1136.9 Ų36.95%0.05120%0.203CC..Hα-helixtrans-63.6-41176.8-70.5-175.813.700111.8L380 F412 R416 T437 V438 Q444 L445L380-Q441 HydrophobicContact CD1-CB 3.79Å; L380-Q441 HydrophobicContact CD1-CG 3.86Å; F412-Q441 HydrophobicContact CE2-CB 4.43Å; F412-Q441 HydrophobicContact CZ-CB 4.3Å; R416-Q441 VanDerWaalsContact NH2-OE1 3.1Å; T437-Q441 HydrophobicContact CG2-CG 4.48Å; T437-Q441 WeakPolarHBondContact O-CG 3.27Å; T437-Q441 PolarHBondContact O-N 3.49Å; V438-Q441 PolarHBondContact O-N 3.41Å; Q441-Q444 PolarHBondContact O-N 2.82Å; Q441-L445 VanDerWaalsContact O-CB 3.32Å; Q441-L445 WeakPolarHBondContact O-CB 3.26Å; Q441-L445 PolarHBondContact O-N 3.47Å
442L90.7Very high88.3Confident0 Ų038.9 Ų38.90%021%0.209CC..Hα-helixtrans-62.6-45.7176.4-74.3176.9000111.1V438 F439 Q440 Q444 L445 C446 Y497 L498 T501V438-L442 HydrophobicContact CG1-CD1 3.71Å; V438-L442 HydrophobicContact CG1-CG 4.15Å; V438-L442 WeakPolarHBondContact O-CB 3.32Å; V438-L442 VanDerWaalsContact O-CG 3.24Å; V438-L442 WeakPolarHBondContact O-CG 3.41Å; V438-L442 PolarHBondContact O-N 2.89Å; F439-L442 HydrophobicContact CD1-CD1 4.36Å; F439-L442 PolarHBondContact O-N 3.31Å; Q440-L442 VanDerWaalsContact C-N 3.34Å; Q440-L442 PolarHBondContact O-N 2.8Å; L442-Q444 VanDerWaalsContact C-N 3.26Å; L442-Q444 PolarHBondContact O-N 3.44Å; L442-L445 PolarHBondContact O-N 2.81Å; L442-C446 VanDerWaalsContact O-CB 3.22Å; L442-C446 WeakPolarHBondContact O-CB 3.39Å; L442-C446 PolarHBondContact O-N 2.84Å; L442-Y497 HydrophobicContact CD1-CD1 4.18Å; L442-Y497 HydrophobicContact CD1-CG 4.28Å; L442-L498 HydrophobicContact CD2-CD2 3.83Å; L442-L498 HydrophobicContact CD2-CG 4.42Å; L442-T501 HydrophobicContact CB-CG2 3.85Å; L442-T501 WeakPolarHBondContact CB-OG1 3.35Å; L442-T501 HydrophobicContact CD2-CG2 4.31Å; L442-T501 WeakPolarHBondContact O-CG2 3.32Å
443E88.3Confident88.5Confident135 Ų13538.6 Ų38.663%0.63121%0.207SC*.Hα-helixtrans-59.9-36.2176.5-172177.3-179.900112.5F439 Q440 C446F439-E443 WeakPolarHBondContact O-CB 3.25Å; F439-E443 PolarHBondContact O-N 2.74Å; Q440-E443 PolarHBondContact O-N 2.89Å; E443-C446 VanDerWaalsContact O-CB 3.27Å; E443-C446 WeakPolarHBondContact O-CB 3.36Å
444Q90Very high88.8Confident8 Ų840 Ų404%0.03721%0.21CC..Hα-helixtrans-70.6-50174.9-66.9164.8-20.800112H377 L380 T381 Q384 Q440 Q441 L442 C446 T447H377-Q444 PolarHBondContact CE1-NE2 2.89Å; H377-Q444 PolarHBondContact ND1-NE2 3.02Å; L380-Q444 HydrophobicContact CB-CB 3.8Å; L380-Q444 HydrophobicContact CB-CG 4.48Å; L380-Q444 VanDerWaalsContact CB-OE1 3.3Å; T381-Q444 PolarHBondContact OG1-NE2 3.48Å; Q384-Q444 HydrophobicContact CB-CB 4.38Å; Q440-Q444 VanDerWaalsContact O-CG 3.32Å; Q440-Q444 WeakPolarHBondContact O-CG 3.27Å; Q440-Q444 PolarHBondContact O-N 2.87Å; Q440-Q444 VanDerWaalsContact O-N 3.12Å; Q441-Q444 PolarHBondContact O-N 2.82Å; L442-Q444 VanDerWaalsContact C-N 3.26Å; L442-Q444 PolarHBondContact O-N 3.44Å; Q444-C446 PolarHBondContact O-N 2.95Å; Q444-T447 PolarHBondContact O-N 3.04Å
445L90.9Very high89.1Confident2 Ų241.5 Ų41.51%0.0121%0.213CC..Hα-helixtrans-60.1-34.3179-175.972.1000111.7T409 F412 Q441 L442 T447 V448 S449 L498T409-L445 HydrophobicContact CG2-CD1 4.44Å; F412-L445 HydrophobicContact CB-CD1 4.04Å; F412-L445 HydrophobicContact CD1-CD1 4.26Å; F412-L445 HydrophobicContact CD1-CD2 3.33Å; F412-L445 HydrophobicContact CD1-CG 4.38Å; F412-L445 HydrophobicContact CE1-CD2 3.58Å; F412-L445 HydrophobicContact CG-CD1 4.01Å; F412-L445 HydrophobicContact CG-CD2 3.95Å; F412-L445 HydrophobicContact CZ-CD2 4.37Å; Q441-L445 VanDerWaalsContact O-CB 3.32Å; Q441-L445 WeakPolarHBondContact O-CB 3.26Å; Q441-L445 PolarHBondContact O-N 3.47Å; L442-L445 PolarHBondContact O-N 2.81Å; L445-T447 VanDerWaalsContact C-N 3.28Å; L445-T447 PolarHBondContact O-N 3.35Å; L445-V448 WeakPolarHBondContact O-CA 3.23Å; L445-V448 WeakPolarHBondContact O-CB 3.32Å; L445-V448 PolarHBondContact O-N 2.89Å; L445-S449 VanDerWaalsContact O-CB 3.32Å; L445-S449 WeakPolarHBondContact O-CB 3.35Å; L445-S449 PolarHBondContact O-N 3.21Å; L445-S449 PolarHBondContact O-OG 3.4Å; L445-L498 HydrophobicContact CD2-CD2 3.57Å
446C89.5Confident89.5Confident13 Ų1339.2 Ų39.29%0.08820%0.199CC..Hα-helixtrans-46.9-49.9179.2-175.60000112.5L442 E443 Q444 S449 R450 T501 G505L442-C446 VanDerWaalsContact O-CB 3.22Å; L442-C446 WeakPolarHBondContact O-CB 3.39Å; L442-C446 PolarHBondContact O-N 2.84Å; E443-C446 VanDerWaalsContact O-CB 3.27Å; E443-C446 WeakPolarHBondContact O-CB 3.36Å; Q444-C446 PolarHBondContact O-N 2.95Å; C446-S449 PolarHBondContact O-OG 3.38Å; C446-R450 WeakPolarHBondContact O-CG 3.27Å; C446-T501 HydrophobicContact CB-CG2 3.61Å; C446-T501 PolarHBondContact SG-O 3.28Å; C446-G505 WeakPolarHBondContact SG-CA 3.4Å
447T88.6Confident89.9Confident37 Ų3736.2 Ų36.223%0.22717%0.174CC..Hα-helixtrans-69.2-40.5178.6-55.60000111.8Q384 V387 A388 Q444 L445 R450Q384-T447 HydrophobicContact CG-CG2 4.35Å; V387-T447 HydrophobicContact CB-CG2 4.35Å; V387-T447 HydrophobicContact CG1-CG2 4.12Å; V387-T447 WeakPolarHBondContact CG1-O 3.45Å; A388-T447 HydrophobicContact CB-CG2 4.04Å; Q444-T447 PolarHBondContact O-N 3.04Å; L445-T447 VanDerWaalsContact C-N 3.28Å; L445-T447 PolarHBondContact O-N 3.35Å; T447-R450 PolarHBondContact O-N 2.95Å
448V91.8Very high90.5Very high0 Ų037.8 Ų37.80%018%0.183CC..Hα-helixtrans-63.3-45-179.3-174.50000110.9W383 Q384 A405 L445 R450 C451W383-V448 HydrophobicContact CB-CG1 4.29Å; W383-V448 HydrophobicContact CB-CG2 3.7Å; Q384-V448 HydrophobicContact CB-CG2 4.36Å; A405-V448 HydrophobicContact CB-CG1 3.89Å; L445-V448 WeakPolarHBondContact O-CA 3.23Å; L445-V448 WeakPolarHBondContact O-CB 3.32Å; L445-V448 PolarHBondContact O-N 2.89Å; V448-R450 PolarHBondContact O-N 2.91Å; V448-R450 VanDerWaalsContact O-N 3.15Å; V448-C451 VanDerWaalsContact O-CB 3.26Å; V448-C451 WeakPolarHBondContact O-CB 3.43Å; V448-C451 PolarHBondContact O-N 3.41Å
449S90.7Very high90.8Very high1 Ų138.9 Ų38.91%0.00719%0.189CC..Hα-helixtrans-63.9-20.3-176.973.90000114.4T409 L445 C446 T456 V502T409-S449 WeakPolarHBondContact OG1-CA 3.27Å; L445-S449 VanDerWaalsContact O-CB 3.32Å; L445-S449 WeakPolarHBondContact O-CB 3.35Å; L445-S449 PolarHBondContact O-N 3.21Å; L445-S449 PolarHBondContact O-OG 3.4Å; C446-S449 PolarHBondContact O-OG 3.38Å; S449-T456 WeakPolarHBondContact O-CB 3.26Å; S449-T456 PolarHBondContact O-OG1 2.98Å; S449-V502 VanDerWaalsContact OG-CG1 3.31Å; S449-V502 WeakPolarHBondContact OG-CG1 3.43Å
450R88.3Confident91.2Very high42 Ų4237 Ų3716%0.15818%0.181CC..THydrogen-bonded Turntrans-86.5-11.1178.8-74.2-89.4-170.580.6-9.6113.1C446 T447 V448 E452 Y453 V502 V503 G505 R506C446-R450 WeakPolarHBondContact O-CG 3.27Å; T447-R450 PolarHBondContact O-N 2.95Å; V448-R450 PolarHBondContact O-N 2.91Å; V448-R450 VanDerWaalsContact O-N 3.15Å; R450-E452 PolarHBondContact O-N 3.2Å; R450-Y453 HydrophobicContact CG-CD2 4.35Å; R450-V502 PolarHBondContact NE-O 2.96Å; R450-V502 PolarHBondContact NH2-O 2.91Å; R450-V503 PolarHBondContact NH2-O 3Å; R450-V503 VanDerWaalsContact NH2-O 3.08Å; R450-G505 VanDerWaalsContact CZ-C 3.43Å; R450-G505 PolarHBondContact NH1-O 3.25Å; R450-G505 VanDerWaalsContact NH2-C 3.34Å; R450-R506 VanDerWaalsContact NH1-N 3.11Å
451C87.8Confident91.6Very high10 Ų1034.1 Ų34.17%0.06817%0.169CC..THydrogen-bonded Turntrans-71120.7165.4-1730000107.8V387 D402 A405 V448V387-C451 HydrophobicContact CG1-CB 3.78Å; V387-C451 HydrophobicContact CG2-CB 4.19Å; D402-C451 PolarHBondContact OD1-SG 3.1Å; D402-C451 VanDerWaalsContact OD1-SG 3.4Å; A405-C451 HydrophobicContact CB-CB 3.82Å; V448-C451 VanDerWaalsContact O-CB 3.26Å; V448-C451 WeakPolarHBondContact O-CB 3.43Å; V448-C451 PolarHBondContact O-N 3.41Å
452E88.3Confident91.9Very high80 Ų8039.5 Ų39.537%0.37419%0.194SC..THydrogen-bonded Turntrans54.751.8-172.3-59.4-79.1118.800112.9D402 P406 R450 E454 K455D402-E452 HydrophobicContact CB-CG 3.9Å; D402-E452 WeakPolarHBondContact O-CG 3.45Å; P406-E452 HydrophobicContact CG-CB 3.75Å; P406-E452 HydrophobicContact CG-CG 4.05Å; R450-E452 PolarHBondContact O-N 3.2Å; E452-E454 PolarHBondContact O-N 3.24Å; E452-K455 HydrophobicContact CB-CD 4.08Å; E452-K455 WeakPolarHBondContact O-CB 3.32Å; E452-K455 PolarHBondContact O-N 3.17Å; E452-K455 IonicContact OE2-NZ 3.58Å; E452-K455 PolarHBondContact OE2-NZ 3.15Å
453Y90.6Very high92.2Very high4 Ų440.7 Ų40.72%0.01620%0.201CC..Hα-helixtrans-53.7-34-168.4-169.3-138.7000114.8R450 K455 T456 C457 V502 H515 M518 D519R450-Y453 HydrophobicContact CG-CD2 4.35Å; Y453-K455 VanDerWaalsContact C-N 3.27Å; Y453-K455 PolarHBondContact O-N 3.4Å; Y453-T456 WeakPolarHBondContact O-CB 3.33Å; Y453-T456 PolarHBondContact O-N 3.46Å; Y453-T456 VanDerWaalsContact O-N 3.12Å; Y453-C457 VanDerWaalsContact CE1-SG 3.51Å; Y453-C457 WeakPolarHBondContact CE2-SG 3.3Å; Y453-C457 PolarHBondContact O-N 2.89Å; Y453-C457 PolarHBondContact O-SG 3.25Å; Y453-C457 VanDerWaalsContact O-SG 3.4Å; Y453-V502 HydrophobicContact CE2-CB 3.94Å; Y453-V502 HydrophobicContact CE2-CG2 4.27Å; Y453-H515 HydrophobicContact CD1-CB 4.17Å; Y453-H515 AromaticContact CD1-CG 3.76Å; Y453-H515 AromaticContact CD1-ND1 3.78Å; Y453-H515 HydrophobicContact CE1-CB 4.38Å; Y453-M518 HydrophobicContact CD1-SD 4.1Å; Y453-M518 HydrophobicContact CE1-CB 4.33Å; Y453-D519 WeakPolarHBondContact CE1-OD1 3.26Å; Y453-D519 VanDerWaalsContact CZ-OD1 3.3Å; Y453-D519 PolarHBondContact OH-OD1 3.36Å
454E92.3Very high92.7Very high130 Ų13034.5 Ų34.561%0.60717%0.171SC*.Hα-helixtrans-53.5-42176.5-173.4179.5178.800112.9E452 C457 T458 M518E452-E454 PolarHBondContact O-N 3.24Å; E454-C457 PolarHBondContact O-N 2.79Å; E454-T458 WeakPolarHBondContact O-CB 3.38Å; E454-T458 PolarHBondContact O-N 3.16Å; E454-T458 PolarHBondContact O-OG1 3.4Å; E454-M518 HydrophobicContact CB-CE 3.73Å; E454-M518 HydrophobicContact CB-SD 4.29Å; E454-M518 HydrophobicContact CG-CE 3.81Å
455K92.7Very high93Very high109 Ų10936.6 Ų36.647%0.47418%0.183SC..Hα-helixtrans-66.4-43.1179.6-66.4176.1-179.4144.30110.8P406 E452 Y453 T458 L459P406-K455 HydrophobicContact CB-CD 4.27Å; P406-K455 HydrophobicContact CG-CD 4.35Å; E452-K455 HydrophobicContact CB-CD 4.08Å; E452-K455 WeakPolarHBondContact O-CB 3.32Å; E452-K455 PolarHBondContact O-N 3.17Å; E452-K455 IonicContact OE2-NZ 3.58Å; E452-K455 PolarHBondContact OE2-NZ 3.15Å; Y453-K455 VanDerWaalsContact C-N 3.27Å; Y453-K455 PolarHBondContact O-N 3.4Å; K455-T458 PolarHBondContact O-N 3.41Å; K455-L459 WeakPolarHBondContact O-CB 3.4Å; K455-L459 PolarHBondContact O-N 3.35Å
456T93.2Very high93.2Very high3 Ų341.7 Ų41.72%0.01821%0.207CC..Hα-helixtrans-62-48.4176.3-60.20000111.2T409 S449 Y453 T458 L459 L460 V502T409-T456 HydrophobicContact CG2-CG2 3.95Å; S449-T456 WeakPolarHBondContact O-CB 3.26Å; S449-T456 PolarHBondContact O-OG1 2.98Å; Y453-T456 WeakPolarHBondContact O-CB 3.33Å; Y453-T456 PolarHBondContact O-N 3.46Å; Y453-T456 VanDerWaalsContact O-N 3.12Å; T456-T458 PolarHBondContact O-N 3.03Å; T456-L459 PolarHBondContact O-N 2.58Å; T456-L460 HydrophobicContact CG2-CD1 4.07Å; T456-L460 HydrophobicContact CG2-CG 4.47Å; T456-L460 WeakPolarHBondContact O-CG 3.43Å; T456-L460 PolarHBondContact O-N 2.91Å; T456-V502 HydrophobicContact CG2-CG1 4.38Å
457C94.1Very high93.5Very high7 Ų741.4 Ų41.45%0.04720%0.204CC..Hα-helixtrans-60.4-45.6178.6-70.80000111.6Y453 E454 L459 L460 V461 M518Y453-C457 VanDerWaalsContact CE1-SG 3.51Å; Y453-C457 WeakPolarHBondContact CE2-SG 3.3Å; Y453-C457 PolarHBondContact O-N 2.89Å; Y453-C457 PolarHBondContact O-SG 3.25Å; Y453-C457 VanDerWaalsContact O-SG 3.4Å; E454-C457 PolarHBondContact O-N 2.79Å; C457-L459 VanDerWaalsContact C-N 3.32Å; C457-L459 PolarHBondContact O-N 3.23Å; C457-L460 PolarHBondContact O-N 2.58Å; C457-V461 WeakPolarHBondContact O-CB 3.05Å; C457-V461 WeakPolarHBondContact O-CG2 3.15Å; C457-V461 PolarHBondContact O-N 2.96Å; C457-M518 HydrophobicContact CB-CB 4.27Å; C457-M518 HydrophobicContact CB-CG 4.47Å; C457-M518 HydrophobicContact CB-SD 4.29Å
458T95.9Very high93.7Very high68 Ų6840.6 Ų40.642%0.41720%0.202SC..Hα-helixtrans-58.8-44.4177.6-58.40000111.3E454 K455 T456 Q462E454-T458 WeakPolarHBondContact O-CB 3.38Å; E454-T458 PolarHBondContact O-N 3.16Å; E454-T458 PolarHBondContact O-OG1 3.4Å; K455-T458 PolarHBondContact O-N 3.41Å; T456-T458 PolarHBondContact O-N 3.03Å; T458-Q462 VanDerWaalsContact O-CG 3.31Å; T458-Q462 WeakPolarHBondContact O-CG 3.23Å; T458-Q462 PolarHBondContact O-N 2.89Å; T458-Q462 VanDerWaalsContact O-N 3.08Å
459L96Very high93.8Very high29 Ų2945.6 Ų45.615%0.15223%0.225CC..Hα-helixtrans-62.5-48.4176.3176.465.4000111.9K410 I413 K455 T456 C457 V461 Q462 L463K410-L459 HydrophobicContact CB-CD2 3.74Å; K410-L459 HydrophobicContact CG-CD2 3.74Å; I413-L459 HydrophobicContact CD1-CD2 4.07Å; K455-L459 WeakPolarHBondContact O-CB 3.4Å; K455-L459 PolarHBondContact O-N 3.35Å; T456-L459 PolarHBondContact O-N 2.58Å; C457-L459 VanDerWaalsContact C-N 3.32Å; C457-L459 PolarHBondContact O-N 3.23Å; L459-V461 PolarHBondContact O-N 3.02Å; L459-Q462 PolarHBondContact O-N 3.36Å; L459-L463 HydrophobicContact CD1-CD1 3.72Å; L459-L463 HydrophobicContact CD1-CG 4.1Å; L459-L463 HydrophobicContact CG-CD1 3.84Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å; L459-L463 PolarHBondContact O-N 3.06Å
460L96.7Very high93.9Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-62.1-42.9179.9-74.6175.7000111.5I413 T456 C457 L463 F464 L495 L498 V502 L522I413-L460 HydrophobicContact CD1-CD2 3.81Å; I413-L460 HydrophobicContact CD1-CG 4.26Å; I413-L460 HydrophobicContact CG1-CD2 4.49Å; I413-L460 HydrophobicContact CG2-CD2 4.36Å; T456-L460 HydrophobicContact CG2-CD1 4.07Å; T456-L460 HydrophobicContact CG2-CG 4.47Å; T456-L460 WeakPolarHBondContact O-CG 3.43Å; T456-L460 PolarHBondContact O-N 2.91Å; C457-L460 PolarHBondContact O-N 2.58Å; L460-L463 PolarHBondContact O-N 2.85Å; L460-F464 WeakPolarHBondContact O-CB 3.31Å; L460-F464 PolarHBondContact O-N 2.96Å; L460-L495 HydrophobicContact CD2-CD2 4.23Å; L460-L498 HydrophobicContact CD2-CB 4.13Å; L460-L498 HydrophobicContact CD2-CD1 4.48Å; L460-V502 HydrophobicContact CD1-CG1 4.14Å; L460-V502 HydrophobicContact CD1-CG2 3.78Å; L460-L522 HydrophobicContact CB-CD2 3.77Å; L460-L522 HydrophobicContact CD1-CD1 4.29Å
461V96.8Very high94Very high28 Ų2846 Ų4617%0.1723%0.23CC..Hα-helixtrans-57.5-51.2175.2161.10000111C457 L459 L463 F464 D465 E521 L522 R525C457-V461 WeakPolarHBondContact O-CB 3.05Å; C457-V461 WeakPolarHBondContact O-CG2 3.15Å; C457-V461 PolarHBondContact O-N 2.96Å; L459-V461 PolarHBondContact O-N 3.02Å; V461-L463 PolarHBondContact O-N 3.23Å; V461-F464 PolarHBondContact O-N 2.56Å; V461-D465 WeakPolarHBondContact O-CB 3.41Å; V461-D465 VanDerWaalsContact O-CG 3.3Å; V461-D465 PolarHBondContact O-N 3.07Å; V461-E521 HydrophobicContact CG2-CG 4.22Å; V461-L522 HydrophobicContact CG2-CD2 3.73Å; V461-R525 VanDerWaalsContact CG1-NH2 3.25Å
462Q97.3Very high94.1Very high123 Ų12350 Ų5058%0.57525%0.248SC*.Hα-helixtrans-60.6-47-179-73.61770.200112.1T458 L459 Q466T458-Q462 VanDerWaalsContact O-CG 3.31Å; T458-Q462 WeakPolarHBondContact O-CG 3.23Å; T458-Q462 PolarHBondContact O-N 2.89Å; T458-Q462 VanDerWaalsContact O-N 3.08Å; L459-Q462 PolarHBondContact O-N 3.36Å; Q462-Q466 WeakPolarHBondContact O-CB 3.41Å; Q462-Q466 PolarHBondContact O-N 2.97Å; Q462-Q466 VanDerWaalsContact O-N 3.1Å
463L97.2Very high94.1Very high26 Ų2652.8 Ų52.814%0.13626%0.259CS..Hα-helixtrans-67-39.9179.3-68.1171.9000111.6I413 L417 L459 L460 V461 N467 L495I413-L463 HydrophobicContact CG2-CD1 3.56Å; L417-L463 HydrophobicContact CD1-CB 4.31Å; L417-L463 HydrophobicContact CD1-CD1 3.84Å; L417-L463 HydrophobicContact CD1-CD2 4.29Å; L417-L463 HydrophobicContact CD1-CG 4.39Å; L459-L463 HydrophobicContact CD1-CD1 3.72Å; L459-L463 HydrophobicContact CD1-CG 4.1Å; L459-L463 HydrophobicContact CG-CD1 3.84Å; L459-L463 WeakPolarHBondContact O-CG 3.4Å; L459-L463 PolarHBondContact O-N 3.06Å; L460-L463 PolarHBondContact O-N 2.85Å; V461-L463 PolarHBondContact O-N 3.23Å; L463-N467 PolarHBondContact O-N 3.03Å; L463-N467 PolarHBondContact O-ND2 3.4Å; L463-L495 HydrophobicContact CB-CD2 3.97Å
464F97.3Very high94Very high4 Ų454.4 Ų54.42%0.01827%0.268CS..Hα-helixtrans-64-50.5177.8-161.2-71.2000111.4L460 V461 Q466 N467 A468 L492 L495 I496 R525 V526 L529L460-F464 WeakPolarHBondContact O-CB 3.31Å; L460-F464 PolarHBondContact O-N 2.96Å; V461-F464 PolarHBondContact O-N 2.56Å; F464-Q466 VanDerWaalsContact C-N 3.3Å; F464-Q466 PolarHBondContact O-N 3.4Å; F464-N467 PolarHBondContact O-N 2.9Å; F464-A468 HydrophobicContact CD1-CB 4.08Å; F464-A468 HydrophobicContact CE1-CB 4.07Å; F464-A468 WeakPolarHBondContact O-CB 2.98Å; F464-A468 PolarHBondContact O-N 2.77Å; F464-L492 HydrophobicContact CZ-CD2 4.49Å; F464-L495 HydrophobicContact CD2-CB 3.89Å; F464-L495 HydrophobicContact CE2-CB 4.34Å; F464-I496 HydrophobicContact CE2-CG1 4Å; F464-I496 HydrophobicContact CZ-CG1 4.45Å; F464-R525 HydrophobicContact CD1-CB 3.66Å; F464-R525 HydrophobicContact CD1-CG 4.19Å; F464-R525 HydrophobicContact CE1-CB 3.63Å; F464-R525 HydrophobicContact CG-CB 4.22Å; F464-R525 HydrophobicContact CZ-CB 4.16Å; F464-V526 HydrophobicContact CE2-CG2 4.07Å; F464-V526 HydrophobicContact CZ-CG2 4.33Å; F464-L529 HydrophobicContact CE1-CB 4.42Å; F464-L529 HydrophobicContact CE1-CD2 4.33Å; F464-L529 HydrophobicContact CZ-CB 4.18Å; F464-L529 HydrophobicContact CZ-CD2 3.7Å
465D96.3Very high93.5Very high52 Ų5249.3 Ų49.328%0.27824%0.244SC..Hα-helixtrans-61.2-41.4-179-69.9-14.8000111.1V461 Q469 R525V461-D465 WeakPolarHBondContact O-CB 3.41Å; V461-D465 VanDerWaalsContact O-CG 3.3Å; V461-D465 PolarHBondContact O-N 3.07Å; D465-Q469 WeakPolarHBondContact O-CB 3.19Å; D465-Q469 WeakPolarHBondContact O-CG 3.37Å; D465-Q469 PolarHBondContact O-N 3.44Å; D465-R525 VanDerWaalsContact CG-NE 3.35Å; D465-R525 WeakPolarHBondContact OD1-CD 3.47Å; D465-R525 IonicContact OD1-CZ 3.17Å; D465-R525 IonicContact OD1-NE 2.75Å; D465-R525 PolarHBondContact OD1-NE 2.95Å; D465-R525 IonicContact OD1-NH2 2.9Å; D465-R525 IonicContact OD2-CZ 2.81Å; D465-R525 IonicContact OD2-NE 3.24Å; D465-R525 PolarHBondContact OD2-NE 3.4Å; D465-R525 IonicContact OD2-NH2 3.02Å; D465-R525 PolarHBondContact OD2-NH2 2.64Å
466Q96Very high93Very high110 Ų11050.6 Ų50.651%0.51425%0.251SS..Hα-helixtrans-61.9-50.6176.9-174-177.215.700112.3Q462 F464 N470Q462-Q466 WeakPolarHBondContact O-CB 3.41Å; Q462-Q466 PolarHBondContact O-N 2.97Å; Q462-Q466 VanDerWaalsContact O-N 3.1Å; F464-Q466 VanDerWaalsContact C-N 3.3Å; F464-Q466 PolarHBondContact O-N 3.4Å; Q466-N470 PolarHBondContact O-N 2.77Å; Q466-N470 VanDerWaalsContact O-N 3.11Å; Q466-N470 PolarHBondContact O-ND2 3.25Å
467N95Very high92.3Very high6 Ų652.6 Ų52.63%0.03227%0.269CS..Hα-helixtrans-72.5-35.7-177-70.6-77.3000111.8L463 F464 N470 Y471 Q488 R491 L492 L495L463-N467 PolarHBondContact O-N 3.03Å; L463-N467 PolarHBondContact O-ND2 3.4Å; F464-N467 PolarHBondContact O-N 2.9Å; N467-N470 PolarHBondContact O-N 3.24Å; N467-Y471 WeakPolarHBondContact O-CB 3.21Å; N467-Y471 PolarHBondContact O-N 3.01Å; N467-Q488 PolarHBondContact OD1-OE1 3.05Å; N467-R491 WeakPolarHBondContact OD1-CD 3.24Å; N467-L492 HydrophobicContact CB-CD2 4.09Å; N467-L492 HydrophobicContact CB-CG 4.49Å; N467-L495 HydrophobicContact CB-CD1 4.07Å
468A93.3Very high91Very high21 Ų2156 Ų5617%0.17430%0.297CS..Hα-helixtrans-65.6-41.8175.700000112F464 Y471 Q472 L492F464-A468 HydrophobicContact CD1-CB 4.08Å; F464-A468 HydrophobicContact CE1-CB 4.07Å; F464-A468 WeakPolarHBondContact O-CB 2.98Å; F464-A468 PolarHBondContact O-N 2.77Å; A468-Y471 PolarHBondContact O-N 2.9Å; A468-Q472 WeakPolarHBondContact O-CB 3.13Å; A468-Q472 PolarHBondContact O-N 3.46Å; A468-L492 HydrophobicContact CB-CD2 4.26Å
469Q93.7Very high89.5Confident105 Ų10559.4 Ų59.449%0.49132%0.321SS..Hα-helixtrans-64.2-40.6174.2-73.8172.825.200112.1D465 Q472 K473D465-Q469 WeakPolarHBondContact O-CB 3.19Å; D465-Q469 WeakPolarHBondContact O-CG 3.37Å; D465-Q469 PolarHBondContact O-N 3.44Å; Q469-Q472 PolarHBondContact O-N 3.06Å; Q469-K473 VanDerWaalsContact O-CG 3.3Å; Q469-K473 WeakPolarHBondContact O-CG 3.35Å; Q469-K473 PolarHBondContact O-N 3.28Å
470N92.4Very high88.1Confident51 Ų5161.6 Ų61.627%0.27335%0.35SS..Hα-helixtrans-64.5-44.2176.1-70.8-20.4000111.3Q466 N467 K473 L474 Q488Q466-N470 PolarHBondContact O-N 2.77Å; Q466-N470 VanDerWaalsContact O-N 3.11Å; Q466-N470 PolarHBondContact O-ND2 3.25Å; N467-N470 PolarHBondContact O-N 3.24Å; N470-K473 PolarHBondContact O-N 2.97Å; N470-L474 WeakPolarHBondContact O-CG 3.5Å; N470-L474 PolarHBondContact O-N 3.05Å; N470-Q488 HydrophobicContact CB-CG 4.28Å
471Y91.4Very high87.2Confident1 Ų165 Ų650%0.00437%0.367CS..Hα-helixtrans-58.6-48.2174-176.3-119.4000111.4N467 A468 K473 L474 L475 M485 Q488 E489 L492 L529 C540N467-Y471 WeakPolarHBondContact O-CB 3.21Å; N467-Y471 PolarHBondContact O-N 3.01Å; A468-Y471 PolarHBondContact O-N 2.9Å; Y471-K473 VanDerWaalsContact C-N 3.3Å; Y471-K473 PolarHBondContact O-N 3.38Å; Y471-L474 PolarHBondContact O-N 3.06Å; Y471-L475 HydrophobicContact CD1-CD1 3.74Å; Y471-L475 HydrophobicContact CD1-CG 4.29Å; Y471-L475 HydrophobicContact CD2-CG 4.42Å; Y471-L475 HydrophobicContact CE1-CD1 3.47Å; Y471-L475 VanDerWaalsContact CE1-CD1 3.47Å; Y471-L475 HydrophobicContact CE1-CD2 4.44Å; Y471-L475 HydrophobicContact CE1-CG 4.06Å; Y471-L475 HydrophobicContact CE2-CD1 4.49Å; Y471-L475 HydrophobicContact CE2-CD2 4.26Å; Y471-L475 HydrophobicContact CE2-CG 4.18Å; Y471-L475 HydrophobicContact CG-CD1 4.38Å; Y471-L475 HydrophobicContact CG-CG 4.47Å; Y471-L475 VanDerWaalsContact O-CB 3.28Å; Y471-L475 WeakPolarHBondContact O-CB 3.39Å; Y471-L475 VanDerWaalsContact O-CG 3.3Å; Y471-L475 WeakPolarHBondContact O-CG 3.48Å; Y471-L475 PolarHBondContact O-N 2.99Å; Y471-M485 HydrophobicContact CE2-CG 4.25Å; Y471-Q488 HydrophobicContact CD2-CB 4.04Å; Y471-E489 HydrophobicContact CD2-CG 4.11Å; Y471-E489 HydrophobicContact CE2-CG 3.4Å; Y471-E489 VanDerWaalsContact CE2-CG 3.4Å; Y471-E489 PolarHBondContact OH-OE1 3.18Å; Y471-E489 VanDerWaalsContact OH-OE1 3.13Å; Y471-L492 HydrophobicContact CD1-CD1 3.71Å; Y471-L492 HydrophobicContact CD2-CD1 4.31Å; Y471-L492 HydrophobicContact CE1-CD1 4.41Å; Y471-L492 HydrophobicContact CG-CD1 3.64Å; Y471-L529 HydrophobicContact CD1-CD1 4.23Å; Y471-L529 HydrophobicContact CE1-CD1 4.39Å; Y471-C540 PolarHBondContact OH-SG 3.31Å
472Q89Confident86.5Confident93 Ų9367.2 Ų67.244%0.43539%0.389SS..Hα-helixtrans-60.2-37.3177.1-169179.26.900112.4A468 Q469 L475 H476 L532A468-Q472 WeakPolarHBondContact O-CB 3.13Å; A468-Q472 PolarHBondContact O-N 3.46Å; Q469-Q472 PolarHBondContact O-N 3.06Å; Q472-L475 WeakPolarHBondContact O-CB 3.47Å; Q472-H476 PolarHBondContact O-CE1 2.95Å; Q472-H476 PolarHBondContact O-ND1 2.76Å; Q472-L532 HydrophobicContact CB-CD2 4.47Å; Q472-L532 HydrophobicContact CG-CD2 4.47Å
473K89.3Confident86Confident138 Ų13865.1 Ų65.160%0.638%0.384SS*.Hα-helixtrans-66.1-46.7174.8-72.6167.9-173.8169.80111.9Q469 N470 Y471 L475 H476 A477Q469-K473 VanDerWaalsContact O-CG 3.3Å; Q469-K473 WeakPolarHBondContact O-CG 3.35Å; Q469-K473 PolarHBondContact O-N 3.28Å; N470-K473 PolarHBondContact O-N 2.97Å; Y471-K473 VanDerWaalsContact C-N 3.3Å; Y471-K473 PolarHBondContact O-N 3.38Å; K473-L475 VanDerWaalsContact C-N 3.26Å; K473-L475 PolarHBondContact O-N 3.26Å; K473-H476 PolarHBondContact O-N 3Å; K473-H476 VanDerWaalsContact O-N 3.08Å; K473-A477 PolarHBondContact O-N 3.12Å
474L87.4Confident85.6Confident39 Ų3966.8 Ų66.820%0.20439%0.394CS..Hα-helixtrans-63.2-35178.6-70.2174.3000112.1N470 Y471 H476 A477 L481 D484 Q488N470-L474 WeakPolarHBondContact O-CG 3.5Å; N470-L474 PolarHBondContact O-N 3.05Å; Y471-L474 PolarHBondContact O-N 3.06Å; L474-H476 PolarHBondContact O-N 3.15Å; L474-A477 WeakPolarHBondContact O-CB 3.26Å; L474-A477 PolarHBondContact O-N 3.41Å; L474-L481 HydrophobicContact CD2-CB 4.3Å; L474-L481 HydrophobicContact CD2-CD1 3.82Å; L474-D484 HydrophobicContact CD1-CB 3.99Å; L474-D484 HydrophobicContact CD2-CB 4.25Å; L474-Q488 HydrophobicContact CD1-CB 4.43Å; L474-Q488 HydrophobicContact CD1-CG 3.53Å
475L82.9Confident85.1Confident22 Ų2269.3 Ų69.312%0.11541%0.406CS..THydrogen-bonded Turntrans-61.4-19.1173.9-86.6-175.8000114.2Y471 Q472 K473 L532 R536Y471-L475 HydrophobicContact CD1-CD1 3.74Å; Y471-L475 HydrophobicContact CD1-CG 4.29Å; Y471-L475 HydrophobicContact CD2-CG 4.42Å; Y471-L475 HydrophobicContact CE1-CD1 3.47Å; Y471-L475 VanDerWaalsContact CE1-CD1 3.47Å; Y471-L475 HydrophobicContact CE1-CD2 4.44Å; Y471-L475 HydrophobicContact CE1-CG 4.06Å; Y471-L475 HydrophobicContact CE2-CD1 4.49Å; Y471-L475 HydrophobicContact CE2-CD2 4.26Å; Y471-L475 HydrophobicContact CE2-CG 4.18Å; Y471-L475 HydrophobicContact CG-CD1 4.38Å; Y471-L475 HydrophobicContact CG-CG 4.47Å; Y471-L475 VanDerWaalsContact O-CB 3.28Å; Y471-L475 WeakPolarHBondContact O-CB 3.39Å; Y471-L475 VanDerWaalsContact O-CG 3.3Å; Y471-L475 WeakPolarHBondContact O-CG 3.48Å; Y471-L475 PolarHBondContact O-N 2.99Å; Q472-L475 WeakPolarHBondContact O-CB 3.47Å; K473-L475 VanDerWaalsContact C-N 3.26Å; K473-L475 PolarHBondContact O-N 3.26Å; L475-L532 HydrophobicContact CD1-CD2 4.32Å; L475-L532 HydrophobicContact CD1-CG 4.5Å; L475-R536 VanDerWaalsContact CB-NH1 3.31Å; L475-R536 PolarHBondContact O-NH1 3.03Å
476H81.5Confident84.8Confident136 Ų13668.5 Ų68.563%0.6341%0.406SS*.THydrogen-bonded Turntrans-103.6-2.4173.2-61.991.3000112.8Q472 K473 L474 R536Q472-H476 PolarHBondContact O-CE1 2.95Å; Q472-H476 PolarHBondContact O-ND1 2.76Å; K473-H476 PolarHBondContact O-N 3Å; K473-H476 VanDerWaalsContact O-N 3.08Å; L474-H476 PolarHBondContact O-N 3.15Å; H476-R536 PolarHBondContact CE1-NH2 2.99Å; H476-R536 PolarHBondContact NE2-NH2 3.42Å
477A78.2Confident84.6Confident46 Ų4663.5 Ų63.538%0.3838%0.383SS..SBendtrans-84.7163.6-178.800000112K473 L474 L481K473-A477 PolarHBondContact O-N 3.12Å; L474-A477 WeakPolarHBondContact O-CB 3.26Å; L474-A477 PolarHBondContact O-N 3.41Å; A477-L481 HydrophobicContact CB-CD1 3.67Å
478A66.7Low84.5Confident77 Ų7764 Ų6464%0.63639%0.385SS*.  trans-64.5151.2-176.800000113.1G480A478-G480 PolarHBondContact O-N 2.71Å
479P64.6Low84.5Confident141 Ų14163.7 Ų63.792%0.91638%0.38SS*.THydrogen-bonded Turntrans-63106.5176.124.4-32000110.2
480G67.1Low84.5Confident74 Ų7458.9 Ų58.976%0.76336%0.359SS*.THydrogen-bonded Turntrans167-16-175.300000114.1A478 A482A478-G480 PolarHBondContact O-N 2.71Å; G480-A482 PolarHBondContact O-N 2.93Å
481L77.7Confident84.7Confident71 Ų7159.3 Ų59.337%0.37236%0.357SS..  trans-97.235.1-179.9-64.2164.1000112.9L474 A477 V483 D484 M485L474-L481 HydrophobicContact CD2-CB 4.3Å; L474-L481 HydrophobicContact CD2-CD1 3.82Å; A477-L481 HydrophobicContact CB-CD1 3.67Å; L481-V483 VanDerWaalsContact C-N 3.27Å; L481-V483 PolarHBondContact O-N 3.08Å; L481-D484 HydrophobicContact CB-CB 4.45Å; L481-D484 WeakPolarHBondContact CD2-OD2 3.5Å; L481-D484 PolarHBondContact O-N 3.04Å; L481-M485 WeakPolarHBondContact O-CB 3.33Å; L481-M485 PolarHBondContact O-N 3.48Å
482A81.5Confident84.9Confident76 Ų7659.2 Ų59.263%0.62836%0.356SS*.Hα-helixtrans-57.9-38-174.200000113G480 A486G480-A482 PolarHBondContact O-N 2.93Å; A482-A486 WeakPolarHBondContact O-CB 3.37Å; A482-A486 PolarHBondContact O-N 2.78Å
483V86.8Confident85.2Confident78 Ų7854.8 Ų54.847%0.47334%0.336SS..Hα-helixtrans-66.6-48177.31770000111.2V424 R425 L481 M485 A486 I487V424-V483 HydrophobicContact CG1-CG1 4.14Å; R425-V483 HydrophobicContact CG-CG1 4.38Å; L481-V483 VanDerWaalsContact C-N 3.27Å; L481-V483 PolarHBondContact O-N 3.08Å; V483-M485 VanDerWaalsContact C-N 3.29Å; V483-M485 PolarHBondContact O-N 3.32Å; V483-A486 PolarHBondContact O-N 2.8Å; V483-I487 HydrophobicContact CG1-CD1 4.07Å; V483-I487 VanDerWaalsContact O-CG1 3.3Å; V483-I487 WeakPolarHBondContact O-CG1 3.36Å; V483-I487 PolarHBondContact O-N 3.28Å
484D89.1Confident85.5Confident62 Ų6248.3 Ų48.333%0.33231%0.308SS..Hα-helixtrans-65.3-36.5179.9-67.5-40.6000111.6L474 L481 I487 Q488L474-D484 HydrophobicContact CD1-CB 3.99Å; L474-D484 HydrophobicContact CD2-CB 4.25Å; L481-D484 HydrophobicContact CB-CB 4.45Å; L481-D484 WeakPolarHBondContact CD2-OD2 3.5Å; L481-D484 PolarHBondContact O-N 3.04Å; D484-I487 PolarHBondContact O-N 3.41Å; D484-Q488 WeakPolarHBondContact O-CG 3.47Å; D484-Q488 PolarHBondContact O-N 3.28Å
485M88.2Confident86Confident56 Ų5646.5 Ų46.528%0.27630%0.298SS..Hα-helixtrans-61.7-51172.7-176.1169154.600110.7Y471 L481 V483 I487 Q488 E489Y471-M485 HydrophobicContact CE2-CG 4.25Å; L481-M485 WeakPolarHBondContact O-CB 3.33Å; L481-M485 PolarHBondContact O-N 3.48Å; V483-M485 VanDerWaalsContact C-N 3.29Å; V483-M485 PolarHBondContact O-N 3.32Å; M485-I487 VanDerWaalsContact C-N 3.26Å; M485-I487 PolarHBondContact O-N 2.81Å; M485-Q488 PolarHBondContact O-N 2.89Å; M485-Q488 VanDerWaalsContact O-N 3.09Å; M485-E489 WeakPolarHBondContact CE-OE1 3.27Å; M485-E489 HydrophobicContact CG-CG 4.36Å; M485-E489 VanDerWaalsContact O-CG 3.26Å; M485-E489 WeakPolarHBondContact O-CG 3.32Å; M485-E489 PolarHBondContact O-N 2.91Å
486A89.2Confident86.7Confident35 Ų3545.4 Ų45.429%0.28929%0.292SS..Hα-helixtrans-57.7-37.5176.900000112.8V424 A482 V483 E489 G490V424-A486 HydrophobicContact CG1-CB 4.03Å; A482-A486 WeakPolarHBondContact O-CB 3.37Å; A482-A486 PolarHBondContact O-N 2.78Å; V483-A486 PolarHBondContact O-N 2.8Å; A486-E489 PolarHBondContact O-N 3.23Å; A486-G490 PolarHBondContact O-N 3.4Å
487I92.3Very high87.4Confident5 Ų539.4 Ų39.43%0.02626%0.264CS..Hα-helixtrans-64.1-46.8174.9-67.5169.6000111.2V420 A421 V424 R425 V483 D484 M485 E489 G490 R491V420-I487 HydrophobicContact CG1-CG2 4.38Å; V420-I487 WeakPolarHBondContact CG1-O 3.22Å; A421-I487 HydrophobicContact CB-CD1 4.3Å; A421-I487 HydrophobicContact CB-CG2 4.21Å; V424-I487 HydrophobicContact CB-CG1 3.94Å; V424-I487 HydrophobicContact CG1-CG1 3.92Å; V424-I487 HydrophobicContact CG2-CG1 4.31Å; R425-I487 HydrophobicContact CG-CD1 4.37Å; V483-I487 HydrophobicContact CG1-CD1 4.07Å; V483-I487 VanDerWaalsContact O-CG1 3.3Å; V483-I487 WeakPolarHBondContact O-CG1 3.36Å; V483-I487 PolarHBondContact O-N 3.28Å; D484-I487 PolarHBondContact O-N 3.41Å; M485-I487 VanDerWaalsContact C-N 3.26Å; M485-I487 PolarHBondContact O-N 2.81Å; I487-E489 VanDerWaalsContact C-N 3.3Å; I487-E489 PolarHBondContact O-N 3.28Å; I487-G490 PolarHBondContact O-N 2.87Å; I487-R491 WeakPolarHBondContact O-CG 3.25Å; I487-R491 PolarHBondContact O-N 2.96Å
488Q93.2Very high88.3Confident16 Ų1637.3 Ų37.38%0.07525%0.247CC..Hα-helixtrans-65.2-37.8177.4-65-45.2-63.300111.6N467 N470 Y471 L474 D484 M485 R491 L492N467-Q488 PolarHBondContact OD1-OE1 3.05Å; N470-Q488 HydrophobicContact CB-CG 4.28Å; Y471-Q488 HydrophobicContact CD2-CB 4.04Å; L474-Q488 HydrophobicContact CD1-CB 4.43Å; L474-Q488 HydrophobicContact CD1-CG 3.53Å; D484-Q488 WeakPolarHBondContact O-CG 3.47Å; D484-Q488 PolarHBondContact O-N 3.28Å; M485-Q488 PolarHBondContact O-N 2.89Å; M485-Q488 VanDerWaalsContact O-N 3.09Å; Q488-R491 PolarHBondContact O-N 3.45Å; Q488-L492 WeakPolarHBondContact O-CB 3.4Å; Q488-L492 WeakPolarHBondContact O-CG 3.35Å; Q488-L492 PolarHBondContact O-N 3.42Å
489E92Very high89.7Confident15 Ų1533.7 Ų33.77%0.0722%0.217CC..Hα-helixtrans-64.7-44.5178.2-69.2179.8151.800112Y471 M485 A486 I487 R491 L492 A493 N542 I545Y471-E489 HydrophobicContact CD2-CG 4.11Å; Y471-E489 HydrophobicContact CE2-CG 3.4Å; Y471-E489 VanDerWaalsContact CE2-CG 3.4Å; Y471-E489 PolarHBondContact OH-OE1 3.18Å; Y471-E489 VanDerWaalsContact OH-OE1 3.13Å; M485-E489 WeakPolarHBondContact CE-OE1 3.27Å; M485-E489 HydrophobicContact CG-CG 4.36Å; M485-E489 VanDerWaalsContact O-CG 3.26Å; M485-E489 WeakPolarHBondContact O-CG 3.32Å; M485-E489 PolarHBondContact O-N 2.91Å; A486-E489 PolarHBondContact O-N 3.23Å; I487-E489 VanDerWaalsContact C-N 3.3Å; I487-E489 PolarHBondContact O-N 3.28Å; E489-R491 PolarHBondContact O-N 3.49Å; E489-L492 PolarHBondContact O-N 3.17Å; E489-A493 WeakPolarHBondContact O-CB 3.32Å; E489-A493 PolarHBondContact O-N 3.4Å; E489-N542 HydrophobicContact CB-CB 4.49Å; E489-N542 WeakPolarHBondContact CB-ND2 3.31Å; E489-N542 VanDerWaalsContact CD-ND2 3.34Å; E489-N542 HydrophobicContact CG-CB 4.4Å; E489-N542 PolarHBondContact OE2-ND2 3.42Å; E489-I545 HydrophobicContact CB-CD1 3.75Å; E489-I545 HydrophobicContact CB-CG1 4.26Å; E489-I545 HydrophobicContact CG-CD1 3.81Å; E489-I545 WeakPolarHBondContact O-CG1 3.32Å
490G93.3Very high91.1Very high4 Ų427 Ų274%0.04117%0.173CC..Hα-helixtrans-63-39.3174.700000112.8A486 I487 A493 W494A486-G490 PolarHBondContact O-N 3.4Å; I487-G490 PolarHBondContact O-N 2.87Å; G490-A493 PolarHBondContact O-N 3.5Å; G490-W494 PolarHBondContact O-N 3.27Å; G490-W494 VanDerWaalsContact O-N 3.07Å
491R96.3Very high92.4Very high60 Ų6023.8 Ų23.823%0.22614%0.138CC..Hα-helixtrans-65.9-43.5175.5-74.9-180178173.51.4112.3L417 V420 N467 I487 Q488 E489 A493 W494 L495L417-R491 HydrophobicContact CB-CG 4.38Å; L417-R491 HydrophobicContact CD2-CB 3.99Å; L417-R491 HydrophobicContact CD2-CG 4.12Å; L417-R491 WeakPolarHBondContact CD2-O 3.48Å; L417-R491 PolarHBondContact O-NE 2.9Å; V420-R491 HydrophobicContact CB-CG 4.08Å; V420-R491 HydrophobicContact CG1-CG 4.2Å; V420-R491 HydrophobicContact CG2-CG 4.21Å; N467-R491 WeakPolarHBondContact OD1-CD 3.24Å; I487-R491 WeakPolarHBondContact O-CG 3.25Å; I487-R491 PolarHBondContact O-N 2.96Å; Q488-R491 PolarHBondContact O-N 3.45Å; E489-R491 PolarHBondContact O-N 3.49Å; R491-A493 VanDerWaalsContact C-N 3.35Å; R491-W494 PolarHBondContact O-N 2.83Å; R491-L495 WeakPolarHBondContact O-CB 3.01Å; R491-L495 VanDerWaalsContact O-CG 3.32Å; R491-L495 WeakPolarHBondContact O-CG 3.42Å; R491-L495 PolarHBondContact O-N 3.48Å
492L96.3Very high93.1Very high0 Ų020.5 Ų20.50%012%0.122CC..Hα-helixtrans-64.2-40.5175.7-73.5174.5000111.3F464 N467 A468 Y471 Q488 E489 W494 L495 I496 L529 I545F464-L492 HydrophobicContact CZ-CD2 4.49Å; N467-L492 HydrophobicContact CB-CD2 4.09Å; N467-L492 HydrophobicContact CB-CG 4.49Å; A468-L492 HydrophobicContact CB-CD2 4.26Å; Y471-L492 HydrophobicContact CD1-CD1 3.71Å; Y471-L492 HydrophobicContact CD2-CD1 4.31Å; Y471-L492 HydrophobicContact CE1-CD1 4.41Å; Y471-L492 HydrophobicContact CG-CD1 3.64Å; Q488-L492 WeakPolarHBondContact O-CB 3.4Å; Q488-L492 WeakPolarHBondContact O-CG 3.35Å; Q488-L492 PolarHBondContact O-N 3.42Å; E489-L492 PolarHBondContact O-N 3.17Å; L492-W494 PolarHBondContact O-N 3.46Å; L492-L495 HydrophobicContact CD2-CD1 4.45Å; L492-L495 PolarHBondContact O-N 3.33Å; L492-I496 WeakPolarHBondContact O-CG1 3.38Å; L492-I496 PolarHBondContact O-N 3.12Å; L492-L529 HydrophobicContact CB-CD2 4.34Å; L492-L529 HydrophobicContact CD1-CD1 4.22Å; L492-L529 HydrophobicContact CD1-CD2 4.15Å; L492-L529 HydrophobicContact CD2-CD2 4.12Å; L492-L529 HydrophobicContact CG-CD2 4.45Å; L492-I545 HydrophobicContact CB-CD1 4.43Å
493A95.8Very high93.5Very high0 Ų016.9 Ų16.90%09%0.092CC..Hα-helixtrans-57.4-48.9174.100000111.5L432 E489 G490 R491 L495 I496 Y497 K544 I545 A548L432-A493 HydrophobicContact CD1-CB 4.04Å; E489-A493 WeakPolarHBondContact O-CB 3.32Å; E489-A493 PolarHBondContact O-N 3.4Å; G490-A493 PolarHBondContact O-N 3.5Å; R491-A493 VanDerWaalsContact C-N 3.35Å; A493-L495 PolarHBondContact O-N 3.31Å; A493-I496 PolarHBondContact O-N 2.92Å; A493-Y497 VanDerWaalsContact O-CD2 3.22Å; A493-Y497 WeakPolarHBondContact O-CD2 3.4Å; A493-Y497 PolarHBondContact O-N 2.87Å; A493-K544 HydrophobicContact CB-CB 4.15Å; A493-I545 HydrophobicContact CB-CG1 4.27Å; A493-A548 HydrophobicContact CB-CB 4.27Å; A493-A548 WeakPolarHBondContact O-CB 3.43Å
494W96.3Very high93.5Very high2 Ų214.1 Ų14.11%0.0088%0.079CC..Hα-helixtrans-57.5-46.3174-91.5108000112.9F412 R416 L417 P431 L432 V438 G490 R491 L492 I496 Y497 L498F412-W494 HydrophobicContact CE1-CZ3 4.45Å; R416-W494 HydrophobicContact CB-CD2 3.89Å; R416-W494 HydrophobicContact CB-CE3 4.03Å; R416-W494 HydrophobicContact CB-CG 4.36Å; R416-W494 HydrophobicContact CB-CZ2 4.38Å; R416-W494 HydrophobicContact CB-CZ3 4.35Å; R416-W494 HydrophobicContact CG-CD2 4.46Å; R416-W494 HydrophobicContact CG-CE3 4.24Å; R416-W494 HydrophobicContact CG-CH2 4.09Å; R416-W494 HydrophobicContact CG-CZ2 4.3Å; R416-W494 HydrophobicContact CG-CZ3 4.05Å; L417-W494 HydrophobicContact CD2-CB 3.87Å; P431-W494 HydrophobicContact CB-CZ2 4.22Å; L432-W494 HydrophobicContact CD1-CG 4.5Å; L432-W494 HydrophobicContact CD2-CD2 3.92Å; L432-W494 HydrophobicContact CD2-CE3 4.37Å; L432-W494 HydrophobicContact CD2-CG 4.39Å; L432-W494 HydrophobicContact CD2-CH2 4.16Å; L432-W494 HydrophobicContact CD2-CZ2 3.68Å; L432-W494 HydrophobicContact CD2-CZ3 4.48Å; L432-W494 HydrophobicContact CG-CD2 4.49Å; L432-W494 HydrophobicContact CG-CZ2 4.05Å; V438-W494 HydrophobicContact CG1-CH2 4.06Å; V438-W494 HydrophobicContact CG1-CZ3 4.2Å; V438-W494 HydrophobicContact CG2-CH2 4.08Å; G490-W494 PolarHBondContact O-N 3.27Å; G490-W494 VanDerWaalsContact O-N 3.07Å; R491-W494 PolarHBondContact O-N 2.83Å; L492-W494 PolarHBondContact O-N 3.46Å; W494-I496 PolarHBondContact O-N 3.38Å; W494-Y497 PolarHBondContact O-N 3.46Å; W494-L498 WeakPolarHBondContact O-CB 3.34Å; W494-L498 WeakPolarHBondContact O-CD1 3.46Å; W494-L498 VanDerWaalsContact O-CG 3.23Å; W494-L498 WeakPolarHBondContact O-CG 3.43Å; W494-L498 PolarHBondContact O-N 3Å
495L97.6Very high93.1Very high0 Ų012 Ų120%07%0.072CC..Hα-helixtrans-63.1-40.5179.6-74.6164.4000112.2L417 L460 L463 F464 N467 R491 L492 A493 L498 V499L417-L495 HydrophobicContact CD1-CD2 4.03Å; L417-L495 HydrophobicContact CD1-CG 4.33Å; L417-L495 HydrophobicContact CD2-CD1 4.31Å; L417-L495 HydrophobicContact CD2-CD2 4.34Å; L417-L495 HydrophobicContact CD2-CG 3.86Å; L460-L495 HydrophobicContact CD2-CD2 4.23Å; L463-L495 HydrophobicContact CB-CD2 3.97Å; F464-L495 HydrophobicContact CD2-CB 3.89Å; F464-L495 HydrophobicContact CE2-CB 4.34Å; N467-L495 HydrophobicContact CB-CD1 4.07Å; R491-L495 WeakPolarHBondContact O-CB 3.01Å; R491-L495 VanDerWaalsContact O-CG 3.32Å; R491-L495 WeakPolarHBondContact O-CG 3.42Å; R491-L495 PolarHBondContact O-N 3.48Å; L492-L495 HydrophobicContact CD2-CD1 4.45Å; L492-L495 PolarHBondContact O-N 3.33Å; A493-L495 PolarHBondContact O-N 3.31Å; L495-L498 PolarHBondContact O-N 3.32Å; L495-V499 WeakPolarHBondContact O-CB 3.36Å; L495-V499 VanDerWaalsContact O-CG2 3.24Å; L495-V499 WeakPolarHBondContact O-CG2 3.31Å; L495-V499 PolarHBondContact O-N 3.13Å
496I97.5Very high92.5Very high0 Ų012 Ų120%07%0.069CC..Hα-helixtrans-67.2-41.6176.4-62.9164.4000110.6F464 L492 A493 W494 L498 V499 G500 V526 L529 I545 A548 V549 F552F464-I496 HydrophobicContact CE2-CG1 4Å; F464-I496 HydrophobicContact CZ-CG1 4.45Å; L492-I496 WeakPolarHBondContact O-CG1 3.38Å; L492-I496 PolarHBondContact O-N 3.12Å; A493-I496 PolarHBondContact O-N 2.92Å; W494-I496 PolarHBondContact O-N 3.38Å; I496-L498 VanDerWaalsContact C-N 3.34Å; I496-L498 PolarHBondContact O-N 3.5Å; I496-V499 PolarHBondContact O-N 2.92Å; I496-G500 PolarHBondContact O-N 3.13Å; I496-V526 HydrophobicContact CG1-CG1 4.39Å; I496-V526 HydrophobicContact CG2-CG1 3.99Å; I496-L529 HydrophobicContact CD1-CD2 3.73Å; I496-L529 HydrophobicContact CG1-CD2 4.32Å; I496-I545 HydrophobicContact CD1-CG2 3.59Å; I496-A548 HydrophobicContact CB-CB 3.88Å; I496-A548 VanDerWaalsContact CG2-C 3.44Å; I496-A548 HydrophobicContact CG2-CB 3.91Å; I496-A548 VanDerWaalsContact CG2-O 3.26Å; I496-A548 WeakPolarHBondContact CG2-O 3.36Å; I496-V549 HydrophobicContact CD1-CG2 4Å; I496-V549 HydrophobicContact CG2-CG2 4.44Å; I496-F552 HydrophobicContact CG2-CB 3.73Å
497Y96.5Very high91.3Very high10 Ų1015.1 Ų15.14%0.0398%0.08CC..Hα-helixtrans-58.4-46172.8-85.5-58.4000111.8L432 F439 L442 A493 W494 G500 T501 A548 W551L432-Y497 HydrophobicContact CD2-CD2 3.8Å; L432-Y497 HydrophobicContact CD2-CE2 3.84Å; F439-Y497 HydrophobicContact CE1-CD1 4.13Å; F439-Y497 AromaticContact CE1-CE1 3.54Å; F439-Y497 HydrophobicContact CE1-CE1 3.54Å; F439-Y497 HydrophobicContact CZ-CE1 4.18Å; L442-Y497 HydrophobicContact CD1-CD1 4.18Å; L442-Y497 HydrophobicContact CD1-CG 4.28Å; A493-Y497 VanDerWaalsContact O-CD2 3.22Å; A493-Y497 WeakPolarHBondContact O-CD2 3.4Å; A493-Y497 PolarHBondContact O-N 2.87Å; W494-Y497 PolarHBondContact O-N 3.46Å; Y497-G500 PolarHBondContact O-N 3.34Å; Y497-T501 VanDerWaalsContact O-CB 3.29Å; Y497-T501 WeakPolarHBondContact O-CB 3.44Å; Y497-T501 PolarHBondContact O-N 2.85Å; Y497-T501 PolarHBondContact O-OG1 2.94Å; Y497-A548 HydrophobicContact CD1-CB 4.33Å; Y497-A548 HydrophobicContact CD2-CB 3.62Å; Y497-A548 HydrophobicContact CE1-CB 4.25Å; Y497-A548 HydrophobicContact CE2-CB 3.56Å; Y497-A548 HydrophobicContact CG-CB 4.01Å; Y497-W551 HydrophobicContact CD1-CB 3.79Å; Y497-W551 AromaticContact CD1-CD1 3.49Å; Y497-W551 VanDerWaalsContact CD1-CD1 3.49Å; Y497-W551 HydrophobicContact CD1-CD2 4.32Å; Y497-W551 AromaticContact CD1-CG 3.59Å; Y497-W551 HydrophobicContact CD1-CG 3.59Å; Y497-W551 HydrophobicContact CE1-CB 3.54Å; Y497-W551 HydrophobicContact CE1-CD2 4.42Å; Y497-W551 AromaticContact CE1-CG 3.76Å; Y497-W551 HydrophobicContact CE1-CG 3.76Å; Y497-W551 PolarHBondContact O-NE1 3.46Å
498L95.8Very high89.6Confident2 Ų220.2 Ų20.21%0.0111%0.111CC..Hα-helixtrans-63.2-46177.4-72.6163.4000111.6F412 I413 L442 L445 L460 W494 L495 I496 T501 V502F412-L498 HydrophobicContact CD1-CD2 4.31Å; F412-L498 HydrophobicContact CE1-CD2 4.15Å; I413-L498 HydrophobicContact CB-CD1 4.3Å; I413-L498 HydrophobicContact CG1-CD1 3.9Å; I413-L498 HydrophobicContact CG1-CD2 4.08Å; I413-L498 HydrophobicContact CG2-CD1 3.94Å; L442-L498 HydrophobicContact CD2-CD2 3.83Å; L442-L498 HydrophobicContact CD2-CG 4.42Å; L445-L498 HydrophobicContact CD2-CD2 3.57Å; L460-L498 HydrophobicContact CD2-CB 4.13Å; L460-L498 HydrophobicContact CD2-CD1 4.48Å; W494-L498 WeakPolarHBondContact O-CB 3.34Å; W494-L498 WeakPolarHBondContact O-CD1 3.46Å; W494-L498 VanDerWaalsContact O-CG 3.23Å; W494-L498 WeakPolarHBondContact O-CG 3.43Å; W494-L498 PolarHBondContact O-N 3Å; L495-L498 PolarHBondContact O-N 3.32Å; I496-L498 VanDerWaalsContact C-N 3.34Å; I496-L498 PolarHBondContact O-N 3.5Å; L498-T501 WeakPolarHBondContact O-CB 3.23Å; L498-T501 PolarHBondContact O-N 3.24Å; L498-V502 WeakPolarHBondContact O-CG1 3.24Å; L498-V502 PolarHBondContact O-N 3.41Å
499V96.5Very high87.7Confident1 Ų129.7 Ų29.71%0.00615%0.148CC..Hα-helixtrans-60.4-48.5176.2169.50000110.9L495 I496 T501 V502 V503 L522 V526 F552L495-V499 WeakPolarHBondContact O-CB 3.36Å; L495-V499 VanDerWaalsContact O-CG2 3.24Å; L495-V499 WeakPolarHBondContact O-CG2 3.31Å; L495-V499 PolarHBondContact O-N 3.13Å; I496-V499 PolarHBondContact O-N 2.92Å; V499-T501 VanDerWaalsContact C-N 3.26Å; V499-T501 PolarHBondContact O-N 2.86Å; V499-V502 WeakPolarHBondContact O-CG2 3.49Å; V499-V502 PolarHBondContact O-N 3.44Å; V499-V503 HydrophobicContact CG1-CG2 4.3Å; V499-V503 WeakPolarHBondContact O-CB 3.31Å; V499-V503 VanDerWaalsContact O-CG2 3.29Å; V499-V503 WeakPolarHBondContact O-CG2 3.43Å; V499-V503 PolarHBondContact O-N 3.28Å; V499-L522 HydrophobicContact CG1-CB 3.87Å; V499-L522 HydrophobicContact CG2-CD2 4.3Å; V499-V526 HydrophobicContact CB-CG2 4.19Å; V499-V526 HydrophobicContact CG1-CG2 3.73Å; V499-F552 HydrophobicContact CG1-CD2 3.91Å; V499-F552 HydrophobicContact CG1-CE2 3.84Å
500G94.9Very high86Confident0 Ų032.8 Ų32.80%017%0.168CC..Hα-helixtrans-56.5-42.3175.400000112I496 Y497 G504 Q555I496-G500 PolarHBondContact O-N 3.13Å; Y497-G500 PolarHBondContact O-N 3.34Å; G500-G504 WeakPolarHBondContact O-CA 3.38Å; G500-G504 PolarHBondContact O-N 3.11Å; G500-Q555 WeakPolarHBondContact O-CB 3.28Å; G500-Q555 WeakPolarHBondContact O-CG 3.46Å
501T93.2Very high84.5Confident6 Ų634 Ų344%0.03718%0.176CC..Hα-helixtrans-65.5-47.7178.3-65.40000112.8L442 C446 Y497 L498 V499 G504 G505 W551L442-T501 HydrophobicContact CB-CG2 3.85Å; L442-T501 WeakPolarHBondContact CB-OG1 3.35Å; L442-T501 HydrophobicContact CD2-CG2 4.31Å; L442-T501 WeakPolarHBondContact O-CG2 3.32Å; C446-T501 HydrophobicContact CB-CG2 3.61Å; C446-T501 PolarHBondContact SG-O 3.28Å; Y497-T501 VanDerWaalsContact O-CB 3.29Å; Y497-T501 WeakPolarHBondContact O-CB 3.44Å; Y497-T501 PolarHBondContact O-N 2.85Å; Y497-T501 PolarHBondContact O-OG1 2.94Å; L498-T501 WeakPolarHBondContact O-CB 3.23Å; L498-T501 PolarHBondContact O-N 3.24Å; V499-T501 VanDerWaalsContact C-N 3.26Å; V499-T501 PolarHBondContact O-N 2.86Å; T501-G504 PolarHBondContact O-N 3.48Å; T501-G505 PolarHBondContact O-N 2.74Å; T501-G505 VanDerWaalsContact O-N 3.09Å; T501-W551 PolarHBondContact OG1-NE1 3.45Å
502V92.3Very high83.4Confident3 Ų334 Ų342%0.01818%0.183CC..Hα-helixtrans-70.9-32.4-178.9-57.20000112.5S449 R450 Y453 T456 L460 L498 V499 L522S449-V502 VanDerWaalsContact OG-CG1 3.31Å; S449-V502 WeakPolarHBondContact OG-CG1 3.43Å; R450-V502 PolarHBondContact NE-O 2.96Å; R450-V502 PolarHBondContact NH2-O 2.91Å; Y453-V502 HydrophobicContact CE2-CB 3.94Å; Y453-V502 HydrophobicContact CE2-CG2 4.27Å; T456-V502 HydrophobicContact CG2-CG1 4.38Å; L460-V502 HydrophobicContact CD1-CG1 4.14Å; L460-V502 HydrophobicContact CD1-CG2 3.78Å; L498-V502 WeakPolarHBondContact O-CG1 3.24Å; L498-V502 PolarHBondContact O-N 3.41Å; V499-V502 WeakPolarHBondContact O-CG2 3.49Å; V499-V502 PolarHBondContact O-N 3.44Å; V502-L522 HydrophobicContact CG2-CD1 3.84Å
503V90.4Very high82.7Confident0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-67.9-48.9171.6169.80000110.1R450 V499 G505 D519 F556 T559 Y560R450-V503 PolarHBondContact NH2-O 3Å; R450-V503 VanDerWaalsContact NH2-O 3.08Å; V499-V503 HydrophobicContact CG1-CG2 4.3Å; V499-V503 WeakPolarHBondContact O-CB 3.31Å; V499-V503 VanDerWaalsContact O-CG2 3.29Å; V499-V503 WeakPolarHBondContact O-CG2 3.43Å; V499-V503 PolarHBondContact O-N 3.28Å; V503-G505 PolarHBondContact O-N 3.49Å; V503-G505 VanDerWaalsContact O-N 3.15Å; V503-D519 HydrophobicContact CG2-CB 4.24Å; V503-F556 HydrophobicContact CG1-CD2 4.19Å; V503-T559 PolarHBondContact O-OG1 2.94Å; V503-Y560 HydrophobicContact CG1-CD2 4.29Å; V503-Y560 HydrophobicContact CG1-CE2 3.92Å
504G87.5Confident82.3Confident19 Ų1944.9 Ų44.920%0.19624%0.237CC..Hα-helixtrans-61.8-21.8-17900000115G500 T501 R506 T559G500-G504 WeakPolarHBondContact O-CA 3.38Å; G500-G504 PolarHBondContact O-N 3.11Å; T501-G504 PolarHBondContact O-N 3.48Å; G504-R506 PolarHBondContact O-N 3.38Å; G504-T559 WeakPolarHBondContact CA-OG1 3.34Å
505G80.8Confident81.9Confident19 Ų1947 Ų4720%0.19625%0.247CC..THydrogen-bonded Turntrans-68.1-2.6-174.900000117.7C446 R450 T501 V503 L507C446-G505 WeakPolarHBondContact SG-CA 3.4Å; R450-G505 VanDerWaalsContact CZ-C 3.43Å; R450-G505 PolarHBondContact NH1-O 3.25Å; R450-G505 VanDerWaalsContact NH2-C 3.34Å; T501-G505 PolarHBondContact O-N 2.74Å; T501-G505 VanDerWaalsContact O-N 3.09Å; V503-G505 PolarHBondContact O-N 3.49Å; V503-G505 VanDerWaalsContact O-N 3.15Å; G505-L507 PolarHBondContact O-N 3.06Å; G505-L507 VanDerWaalsContact O-N 3.1Å
506R74.3Confident81.4Confident54 Ų5447.3 Ų47.320%0.20425%0.248CC..  trans-59.7116.5-159.6-171.3-176.9172.2158.413.9110.5R450 G504 S511 D516 T559R450-R506 VanDerWaalsContact NH1-N 3.11Å; G504-R506 PolarHBondContact O-N 3.38Å; R506-S511 PolarHBondContact NE-OG 3.11Å; R506-S511 VanDerWaalsContact NH2-CB 3.31Å; R506-S511 PolarHBondContact NH2-OG 2.97Å; R506-D516 IonicContact CZ-OD1 3.33Å; R506-D516 IonicContact CZ-OD2 3.38Å; R506-D516 IonicContact NH1-OD1 2.94Å; R506-D516 PolarHBondContact NH1-OD1 3.31Å; R506-D516 IonicContact NH1-OD2 3.23Å; R506-D516 PolarHBondContact NH1-OD2 3.47Å; R506-D516 IonicContact NH2-OD1 3.8Å; R506-D516 PolarHBondContact NH2-OD1 3.18Å; R506-D516 IonicContact NH2-OD2 2.8Å; R506-D516 PolarHBondContact NH2-OD2 3.35Å; R506-T559 HydrophobicContact CB-CG2 3.67Å; R506-T559 HydrophobicContact CG-CG2 4.33Å
507L65.8Low81Confident102 Ų10249.1 Ų49.153%0.53426%0.263SS..  trans-82.4127.1169.2-64.3173.1000108.4G505 Y509 T510G505-L507 PolarHBondContact O-N 3.06Å; G505-L507 VanDerWaalsContact O-N 3.1Å; L507-Y509 PolarHBondContact O-N 2.96Å; L507-T510 PolarHBondContact O-N 3.34Å
508T56.3Low80.8Confident111 Ų11150.5 Ų50.568%0.68127%0.271SS*.THydrogen-bonded Turntrans-57.3-23.2-174.110.30000114.3
509Y53Low80.6Confident215 Ų21550.5 Ų50.584%0.84327%0.271SS*.THydrogen-bonded Turntrans-99.6-13.4-173.1-48.2-74.7000114.8L507L507-Y509 PolarHBondContact O-N 2.96Å
510T56.3Low80.4Confident80 Ų8050.5 Ų50.549%0.49127%0.27SS..THydrogen-bonded Turntrans-113.32.2-173.459.70000113.8L507L507-T510 PolarHBondContact O-N 3.34Å
511S62.2Low80.4Confident29 Ų2952.8 Ų52.820%0.20328%0.281CS..  trans-79.6126.3-172.866.50000112.8R506R506-S511 PolarHBondContact NE-OG 3.11Å; R506-S511 VanDerWaalsContact NH2-CB 3.31Å; R506-S511 PolarHBondContact NH2-OG 2.97Å
512T73.3Confident80.5Confident61 Ų6152.6 Ų52.637%0.37428%0.28SS..  trans-97.3157168.960.90000110.5E514 H515 D516T512-E514 PolarHBondContact O-N 2.82Å; T512-H515 PolarHBondContact O-N 3.16Å; T512-H515 VanDerWaalsContact O-N 3.15Å; T512-H515 PolarHBondContact OG1-CD2 3.43Å; T512-H515 VanDerWaalsContact OG1-CD2 3.24Å; T512-H515 PolarHBondContact OG1-N 3.37Å; T512-D516 PolarHBondContact O-N 3.27Å
513D81.3Confident80.6Confident94 Ų9452.5 Ų52.550%0.50328%0.279SS..Hα-helixtrans-56.7-26.3171.3-79.61.6000112.9A517 K570D513-A517 PolarHBondContact O-N 3.28Å; D513-K570 HydrophobicContact CB-CD 3.83Å; D513-K570 HydrophobicContact CB-CG 4.24Å; D513-K570 WeakPolarHBondContact OD2-CE 3.4Å; D513-K570 IonicContact OD2-NZ 3.04Å
514E85.9Confident80.8Confident134 Ų13452.6 Ų52.663%0.62628%0.28SS*.Hα-helixtrans-70.2-42.1177.5-66.2173.7175.200111.4T512 D516 A517 M518T512-E514 PolarHBondContact O-N 2.82Å; E514-D516 VanDerWaalsContact C-N 3.28Å; E514-D516 PolarHBondContact O-N 3.33Å; E514-A517 WeakPolarHBondContact O-CB 3.29Å; E514-A517 PolarHBondContact O-N 3.2Å; E514-M518 WeakPolarHBondContact O-CG 3.35Å; E514-M518 PolarHBondContact O-N 3.49Å
515H87.8Confident81.2Confident47 Ų4753 Ų5322%0.21828%0.275CS..Hα-helixtrans-62.8-38.3174.7-72-158.5000111.1Y453 T512 A517 M518 D519Y453-H515 HydrophobicContact CD1-CB 4.17Å; Y453-H515 AromaticContact CD1-CG 3.76Å; Y453-H515 AromaticContact CD1-ND1 3.78Å; Y453-H515 HydrophobicContact CE1-CB 4.38Å; T512-H515 PolarHBondContact O-N 3.16Å; T512-H515 VanDerWaalsContact O-N 3.15Å; T512-H515 PolarHBondContact OG1-CD2 3.43Å; T512-H515 VanDerWaalsContact OG1-CD2 3.24Å; T512-H515 PolarHBondContact OG1-N 3.37Å; H515-A517 VanDerWaalsContact C-N 3.31Å; H515-A517 PolarHBondContact O-N 2.87Å; H515-M518 PolarHBondContact O-N 3Å; H515-D519 PolarHBondContact O-N 3.42Å
516D88Confident82Confident6 Ų652 Ų523%0.03227%0.266CS..Hα-helixtrans-62-38.6175.4-79.4-29.4000112.2R506 T512 E514 G520 Y560 S569 K570 V571R506-D516 IonicContact CZ-OD1 3.33Å; R506-D516 IonicContact CZ-OD2 3.38Å; R506-D516 IonicContact NH1-OD1 2.94Å; R506-D516 PolarHBondContact NH1-OD1 3.31Å; R506-D516 IonicContact NH1-OD2 3.23Å; R506-D516 PolarHBondContact NH1-OD2 3.47Å; R506-D516 IonicContact NH2-OD1 3.8Å; R506-D516 PolarHBondContact NH2-OD1 3.18Å; R506-D516 IonicContact NH2-OD2 2.8Å; R506-D516 PolarHBondContact NH2-OD2 3.35Å; T512-D516 PolarHBondContact O-N 3.27Å; E514-D516 VanDerWaalsContact C-N 3.28Å; E514-D516 PolarHBondContact O-N 3.33Å; D516-G520 PolarHBondContact O-N 2.8Å; D516-Y560 VanDerWaalsContact OD1-CE1 3.31Å; D516-Y560 WeakPolarHBondContact OD1-CE1 3.44Å; D516-Y560 PolarHBondContact OD1-OH 3.24Å; D516-S569 WeakPolarHBondContact CB-OG 3.24Å; D516-S569 PolarHBondContact OD1-OG 3.37Å; D516-S569 PolarHBondContact OD2-OG 3.05Å; D516-K570 HydrophobicContact CB-CB 4.23Å; D516-V571 WeakPolarHBondContact O-CA 3.16Å; D516-V571 WeakPolarHBondContact O-CB 3.34Å; D516-V571 PolarHBondContact O-N 3.41Å
517A89.3Confident83Confident39 Ų3949.9 Ų49.932%0.32226%0.258SS..Hα-helixtrans-66.7-39.7174.500000112.3D513 E514 H515 G520 E521 K570D513-A517 PolarHBondContact O-N 3.28Å; E514-A517 WeakPolarHBondContact O-CB 3.29Å; E514-A517 PolarHBondContact O-N 3.2Å; H515-A517 VanDerWaalsContact C-N 3.31Å; H515-A517 PolarHBondContact O-N 2.87Å; A517-G520 PolarHBondContact O-N 3.07Å; A517-E521 PolarHBondContact O-N 2.85Å; A517-K570 HydrophobicContact CB-CB 4.33Å
518M91.5Very high84.3Confident39 Ų3949.4 Ų49.419%0.19225%0.253CS..Hα-helixtrans-65.1-42.7175.7-65.3175.9-168.300112.1Y453 E454 C457 E514 H515 G520 E521 L522Y453-M518 HydrophobicContact CD1-SD 4.1Å; Y453-M518 HydrophobicContact CE1-CB 4.33Å; E454-M518 HydrophobicContact CB-CE 3.73Å; E454-M518 HydrophobicContact CB-SD 4.29Å; E454-M518 HydrophobicContact CG-CE 3.81Å; C457-M518 HydrophobicContact CB-CB 4.27Å; C457-M518 HydrophobicContact CB-CG 4.47Å; C457-M518 HydrophobicContact CB-SD 4.29Å; E514-M518 WeakPolarHBondContact O-CG 3.35Å; E514-M518 PolarHBondContact O-N 3.49Å; H515-M518 PolarHBondContact O-N 3Å; M518-G520 PolarHBondContact O-N 3.41Å; M518-E521 WeakPolarHBondContact O-CB 3.46Å; M518-E521 PolarHBondContact O-N 3.05Å; M518-L522 PolarHBondContact O-N 2.88Å
519D92.2Very high86.1Confident2 Ų244.5 Ų44.51%0.01122%0.223CC..Hα-helixtrans-61.4-36.9174.7-73.8-12.3000110.7Y453 V503 H515 S523 Y560 V571Y453-D519 WeakPolarHBondContact CE1-OD1 3.26Å; Y453-D519 VanDerWaalsContact CZ-OD1 3.3Å; Y453-D519 PolarHBondContact OH-OD1 3.36Å; V503-D519 HydrophobicContact CG2-CB 4.24Å; H515-D519 PolarHBondContact O-N 3.42Å; D519-S523 WeakPolarHBondContact O-CB 3.21Å; D519-S523 PolarHBondContact O-N 3.27Å; D519-S523 PolarHBondContact O-OG 3.27Å; D519-Y560 HydrophobicContact CB-CE2 4.08Å; D519-Y560 VanDerWaalsContact CB-OH 3.31Å; D519-Y560 WeakPolarHBondContact CB-OH 3.44Å; D519-Y560 PolarHBondContact OD2-OH 3.11Å; D519-V571 HydrophobicContact CB-CG2 4.38Å
520G92.5Very high88Confident0 Ų034.7 Ų34.70%019%0.185CC..Hα-helixtrans-62.4-45.8173.700000112.2D516 A517 M518 L522 S523 C524D516-G520 PolarHBondContact O-N 2.8Å; A517-G520 PolarHBondContact O-N 3.07Å; M518-G520 PolarHBondContact O-N 3.41Å; G520-L522 PolarHBondContact O-N 2.94Å; G520-S523 PolarHBondContact O-N 3.13Å; G520-C524 WeakPolarHBondContact O-CB 3.4Å; G520-C524 PolarHBondContact O-N 3.4Å; G520-C524 PolarHBondContact O-SG 3.48Å
521E93.9Very high89.7Confident49 Ų4934.3 Ų34.323%0.22919%0.186CC..Hα-helixtrans-61.9-42.4178.5-171.263.4-155.700112.3V461 A517 M518 R525 R574V461-E521 HydrophobicContact CG2-CG 4.22Å; A517-E521 PolarHBondContact O-N 2.85Å; M518-E521 WeakPolarHBondContact O-CB 3.46Å; M518-E521 PolarHBondContact O-N 3.05Å; E521-R525 VanDerWaalsContact CG-NH1 3.28Å; E521-R525 PolarHBondContact O-NH1 2.91Å; E521-R525 IonicContact OE1-CZ 3.67Å; E521-R525 IonicContact OE1-NH1 2.58Å; E521-R525 PolarHBondContact OE1-NH1 3.38Å; E521-R525 IonicContact OE1-NH2 2.74Å; E521-R525 PolarHBondContact OE1-NH2 3.46Å; E521-R525 VanDerWaalsContact OE1-NH2 3.14Å; E521-R574 IonicContact OE1-NH2 3.44Å; E521-R574 IonicContact OE2-CZ 3.87Å; E521-R574 IonicContact OE2-NE 3.27Å; E521-R574 PolarHBondContact OE2-NE 2.95Å; E521-R574 IonicContact OE2-NH2 2.72Å; E521-R574 PolarHBondContact OE2-NH2 3.44Å
522L95.2Very high91Very high2 Ų234.9 Ų34.91%0.0119%0.186CC..Hα-helixtrans-68-44.5174.3-67.8175.7000112L460 V461 V499 V502 M518 G520 C524 R525 V526L460-L522 HydrophobicContact CB-CD2 3.77Å; L460-L522 HydrophobicContact CD1-CD1 4.29Å; V461-L522 HydrophobicContact CG2-CD2 3.73Å; V499-L522 HydrophobicContact CG1-CB 3.87Å; V499-L522 HydrophobicContact CG2-CD2 4.3Å; V502-L522 HydrophobicContact CG2-CD1 3.84Å; M518-L522 PolarHBondContact O-N 2.88Å; G520-L522 PolarHBondContact O-N 2.94Å; L522-C524 VanDerWaalsContact C-N 3.32Å; L522-C524 PolarHBondContact O-N 3.25Å; L522-R525 PolarHBondContact O-N 3.13Å; L522-V526 PolarHBondContact O-N 3.37Å
523S94.9Very high91.7Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-62.4-40.1-179.2-61.60000111.6D519 G520 R525 V526 F527 F556D519-S523 WeakPolarHBondContact O-CB 3.21Å; D519-S523 PolarHBondContact O-N 3.27Å; D519-S523 PolarHBondContact O-OG 3.27Å; G520-S523 PolarHBondContact O-N 3.13Å; S523-R525 VanDerWaalsContact C-N 3.26Å; S523-R525 PolarHBondContact O-N 3.48Å; S523-V526 PolarHBondContact O-N 3.27Å; S523-V526 VanDerWaalsContact O-N 3.16Å; S523-F527 WeakPolarHBondContact O-CD2 3.39Å; S523-F527 PolarHBondContact O-N 3.03Å; S523-F556 WeakPolarHBondContact OG-CD2 3.35Å; S523-F556 WeakPolarHBondContact OG-CE2 3.46Å
524C95.9Very high92.1Very high2 Ų229.7 Ų29.71%0.01416%0.156CC..Hα-helixtrans-51.9-45.1176.6-78.70000112.5G520 L522 F527 Q528 V578 L579G520-C524 WeakPolarHBondContact O-CB 3.4Å; G520-C524 PolarHBondContact O-N 3.4Å; G520-C524 PolarHBondContact O-SG 3.48Å; L522-C524 VanDerWaalsContact C-N 3.32Å; L522-C524 PolarHBondContact O-N 3.25Å; C524-F527 PolarHBondContact O-N 3.09Å; C524-Q528 WeakPolarHBondContact O-CB 3.5Å; C524-Q528 VanDerWaalsContact O-CG 3.28Å; C524-Q528 WeakPolarHBondContact O-CG 3.36Å; C524-Q528 PolarHBondContact O-N 3.4Å; C524-V578 HydrophobicContact CB-CB 4.46Å; C524-V578 HydrophobicContact CB-CG1 4.2Å; C524-L579 HydrophobicContact CB-CD1 4.47Å
525R95.6Very high92.1Very high27 Ų2728.3 Ų28.310%0.10216%0.157CC..Hα-helixtrans-64.6-42-179.3-73.5166172.668.46.3112.5V461 F464 D465 E521 L522 S523 Q528 L529V461-R525 VanDerWaalsContact CG1-NH2 3.25Å; F464-R525 HydrophobicContact CD1-CB 3.66Å; F464-R525 HydrophobicContact CD1-CG 4.19Å; F464-R525 HydrophobicContact CE1-CB 3.63Å; F464-R525 HydrophobicContact CG-CB 4.22Å; F464-R525 HydrophobicContact CZ-CB 4.16Å; D465-R525 VanDerWaalsContact CG-NE 3.35Å; D465-R525 WeakPolarHBondContact OD1-CD 3.47Å; D465-R525 IonicContact OD1-CZ 3.17Å; D465-R525 IonicContact OD1-NE 2.75Å; D465-R525 PolarHBondContact OD1-NE 2.95Å; D465-R525 IonicContact OD1-NH2 2.9Å; D465-R525 IonicContact OD2-CZ 2.81Å; D465-R525 IonicContact OD2-NE 3.24Å; D465-R525 PolarHBondContact OD2-NE 3.4Å; D465-R525 IonicContact OD2-NH2 3.02Å; D465-R525 PolarHBondContact OD2-NH2 2.64Å; E521-R525 VanDerWaalsContact CG-NH1 3.28Å; E521-R525 PolarHBondContact O-NH1 2.91Å; E521-R525 IonicContact OE1-CZ 3.67Å; E521-R525 IonicContact OE1-NH1 2.58Å; E521-R525 PolarHBondContact OE1-NH1 3.38Å; E521-R525 IonicContact OE1-NH2 2.74Å; E521-R525 PolarHBondContact OE1-NH2 3.46Å; E521-R525 VanDerWaalsContact OE1-NH2 3.14Å; L522-R525 PolarHBondContact O-N 3.13Å; S523-R525 VanDerWaalsContact C-N 3.26Å; S523-R525 PolarHBondContact O-N 3.48Å; R525-Q528 PolarHBondContact O-N 2.92Å; R525-L529 WeakPolarHBondContact O-CB 3.45Å; R525-L529 PolarHBondContact O-N 3.26Å
526V96.5Very high91.8Very high0 Ų029.1 Ų29.10%016%0.158CC..Hα-helixtrans-64.8-45.9177.4-176.80000110.4F464 I496 V499 L522 S523 Q528 L529 I530 F552F464-V526 HydrophobicContact CE2-CG2 4.07Å; F464-V526 HydrophobicContact CZ-CG2 4.33Å; I496-V526 HydrophobicContact CG1-CG1 4.39Å; I496-V526 HydrophobicContact CG2-CG1 3.99Å; V499-V526 HydrophobicContact CB-CG2 4.19Å; V499-V526 HydrophobicContact CG1-CG2 3.73Å; L522-V526 PolarHBondContact O-N 3.37Å; S523-V526 PolarHBondContact O-N 3.27Å; S523-V526 VanDerWaalsContact O-N 3.16Å; V526-Q528 PolarHBondContact O-N 2.93Å; V526-L529 WeakPolarHBondContact O-CB 3.4Å; V526-L529 PolarHBondContact O-N 3.2Å; V526-I530 HydrophobicContact CG1-CD1 4.21Å; V526-I530 VanDerWaalsContact O-CG1 3.31Å; V526-I530 WeakPolarHBondContact O-CG1 3.24Å; V526-I530 PolarHBondContact O-N 3.44Å; V526-F552 HydrophobicContact CB-CD1 4.08Å; V526-F552 HydrophobicContact CB-CD2 4.43Å; V526-F552 HydrophobicContact CB-CE1 3.9Å; V526-F552 HydrophobicContact CB-CE2 4.28Å; V526-F552 HydrophobicContact CB-CG 4.35Å; V526-F552 HydrophobicContact CB-CZ 4.02Å; V526-F552 HydrophobicContact CG1-CB 4.36Å; V526-F552 HydrophobicContact CG1-CD1 3.43Å; V526-F552 VanDerWaalsContact CG1-CD1 3.43Å; V526-F552 HydrophobicContact CG1-CD2 4.31Å; V526-F552 HydrophobicContact CG1-CE1 3.72Å; V526-F552 HydrophobicContact CG1-CG 3.76Å; V526-F552 HydrophobicContact CG1-CZ 4.29Å; V526-F552 HydrophobicContact CG2-CD2 4.16Å; V526-F552 HydrophobicContact CG2-CE2 4.14Å; V526-F552 HydrophobicContact CG2-CG 4.41Å; V526-F552 HydrophobicContact CG2-CZ 4.37Å
527F95.4Very high91.6Very high9 Ų929.9 Ų29.94%0.03916%0.162CC..Hα-helixtrans-64.4-37.7177.1-76.8-66.2000113.4S523 C524 L529 I530 S531 F552 L553 M575 L579 T590 F591S523-F527 WeakPolarHBondContact O-CD2 3.39Å; S523-F527 PolarHBondContact O-N 3.03Å; C524-F527 PolarHBondContact O-N 3.09Å; F527-L529 VanDerWaalsContact C-N 3.33Å; F527-I530 HydrophobicContact CD1-CD1 4.11Å; F527-I530 PolarHBondContact O-N 3.19Å; F527-S531 PolarHBondContact O-N 3.25Å; F527-F552 HydrophobicContact CD2-CE1 4.32Å; F527-F552 HydrophobicContact CD2-CZ 4.46Å; F527-F552 HydrophobicContact CE1-CE1 4.5Å; F527-F552 AromaticContact CE2-CE1 3.88Å; F527-F552 HydrophobicContact CE2-CE1 3.88Å; F527-F552 HydrophobicContact CE2-CZ 4.03Å; F527-F552 AromaticContact CZ-CE1 3.99Å; F527-F552 HydrophobicContact CZ-CE1 3.99Å; F527-L553 HydrophobicContact CE1-CD2 3.82Å; F527-L553 HydrophobicContact CZ-CD2 4.17Å; F527-M575 HydrophobicContact CD2-CE 3.71Å; F527-M575 HydrophobicContact CE2-CE 3.39Å; F527-M575 HydrophobicContact CZ-CE 4.22Å; F527-L579 HydrophobicContact CB-CD1 3.45Å; F527-L579 VanDerWaalsContact CB-CD1 3.45Å; F527-L579 HydrophobicContact CB-CD2 4.48Å; F527-L579 HydrophobicContact CD2-CD1 4.1Å; F527-L579 HydrophobicContact CG-CD1 4.05Å; F527-T590 HydrophobicContact CD1-CG2 3.81Å; F527-T590 HydrophobicContact CE1-CG2 3.75Å; F527-F591 HydrophobicContact CE1-CE1 4.32Å; F527-F591 HydrophobicContact CZ-CE1 4.11Å
528Q94.4Very high90.8Very high92 Ų9231.8 Ų31.843%0.4317%0.171SC..Hα-helixtrans-61.7-42172.1-74.8175.9-27.900111.6C524 R525 V526 S531 L532 L579C524-Q528 WeakPolarHBondContact O-CB 3.5Å; C524-Q528 VanDerWaalsContact O-CG 3.28Å; C524-Q528 WeakPolarHBondContact O-CG 3.36Å; C524-Q528 PolarHBondContact O-N 3.4Å; R525-Q528 PolarHBondContact O-N 2.92Å; V526-Q528 PolarHBondContact O-N 2.93Å; Q528-S531 PolarHBondContact O-N 3.25Å; Q528-L532 PolarHBondContact O-N 3.16Å; Q528-L579 HydrophobicContact CG-CD2 3.7Å
529L93.6Very high89.7Confident7 Ų738.3 Ų38.34%0.03720%0.2CC..Hα-helixtrans-65.1-41.3176.5-178.461.7000111.9F464 Y471 L492 I496 R525 V526 F527 S531 L532 M533F464-L529 HydrophobicContact CE1-CB 4.42Å; F464-L529 HydrophobicContact CE1-CD2 4.33Å; F464-L529 HydrophobicContact CZ-CB 4.18Å; F464-L529 HydrophobicContact CZ-CD2 3.7Å; Y471-L529 HydrophobicContact CD1-CD1 4.23Å; Y471-L529 HydrophobicContact CE1-CD1 4.39Å; L492-L529 HydrophobicContact CB-CD2 4.34Å; L492-L529 HydrophobicContact CD1-CD1 4.22Å; L492-L529 HydrophobicContact CD1-CD2 4.15Å; L492-L529 HydrophobicContact CD2-CD2 4.12Å; L492-L529 HydrophobicContact CG-CD2 4.45Å; I496-L529 HydrophobicContact CD1-CD2 3.73Å; I496-L529 HydrophobicContact CG1-CD2 4.32Å; R525-L529 WeakPolarHBondContact O-CB 3.45Å; R525-L529 PolarHBondContact O-N 3.26Å; V526-L529 WeakPolarHBondContact O-CB 3.4Å; V526-L529 PolarHBondContact O-N 3.2Å; F527-L529 VanDerWaalsContact C-N 3.33Å; L529-S531 VanDerWaalsContact C-N 3.33Å; L529-S531 PolarHBondContact O-N 2.94Å; L529-L532 HydrophobicContact CD1-CD2 4.35Å; L529-L532 PolarHBondContact O-N 3.07Å; L529-M533 HydrophobicContact CD1-CG 4.29Å; L529-M533 HydrophobicContact CD1-SD 4.37Å; L529-M533 HydrophobicContact CG-CG 4.46Å; L529-M533 HydrophobicContact CG-SD 4.03Å; L529-M533 VanDerWaalsContact O-CG 3.31Å; L529-M533 WeakPolarHBondContact O-CG 3.33Å; L529-M533 PolarHBondContact O-N 3.41Å
530I93.3Very high88.5Confident9 Ų938.8 Ų38.85%0.04620%0.204CC..Hα-helixtrans-56-49.4173.5-67.9167.6000110.1V526 F527 L532 M533 D534 V549 L553 K594V526-I530 HydrophobicContact CG1-CD1 4.21Å; V526-I530 VanDerWaalsContact O-CG1 3.31Å; V526-I530 WeakPolarHBondContact O-CG1 3.24Å; V526-I530 PolarHBondContact O-N 3.44Å; F527-I530 HydrophobicContact CD1-CD1 4.11Å; F527-I530 PolarHBondContact O-N 3.19Å; I530-L532 VanDerWaalsContact C-N 3.35Å; I530-L532 PolarHBondContact O-N 3.44Å; I530-M533 PolarHBondContact O-N 3.26Å; I530-D534 WeakPolarHBondContact CG2-OD2 3.21Å; I530-D534 WeakPolarHBondContact O-CB 3.3Å; I530-D534 PolarHBondContact O-N 2.97Å; I530-V549 HydrophobicContact CD1-CG1 3.57Å; I530-V549 HydrophobicContact CD1-CG2 4.38Å; I530-V549 HydrophobicContact CG1-CG1 3.76Å; I530-V549 HydrophobicContact CG1-CG2 3.88Å; I530-L553 HydrophobicContact CD1-CD2 4.16Å; I530-K594 HydrophobicContact CG2-CD 3.95Å
531S91.2Very high87.4Confident73 Ų7342.4 Ų42.451%0.5123%0.226SC..Hα-helixtrans-59.8-44.1178.1-177.30000112.1F527 Q528 L529 M533 T535F527-S531 PolarHBondContact O-N 3.25Å; Q528-S531 PolarHBondContact O-N 3.25Å; L529-S531 VanDerWaalsContact C-N 3.33Å; L529-S531 PolarHBondContact O-N 2.94Å; S531-M533 VanDerWaalsContact C-N 3.34Å; S531-M533 PolarHBondContact O-N 3.3Å; S531-T535 WeakPolarHBondContact O-CG2 3.38Å; S531-T535 PolarHBondContact O-N 3.04Å; S531-T535 PolarHBondContact O-OG1 3.16Å
532L89.3Confident87Confident41 Ų4141.3 Ų41.322%0.21522%0.222CC..Hα-helixtrans-60.6-41.9176.7178.365.1000112.1Q472 L475 Q528 L529 I530 T535Q472-L532 HydrophobicContact CB-CD2 4.47Å; Q472-L532 HydrophobicContact CG-CD2 4.47Å; L475-L532 HydrophobicContact CD1-CD2 4.32Å; L475-L532 HydrophobicContact CD1-CG 4.5Å; Q528-L532 PolarHBondContact O-N 3.16Å; L529-L532 HydrophobicContact CD1-CD2 4.35Å; L529-L532 PolarHBondContact O-N 3.07Å; I530-L532 VanDerWaalsContact C-N 3.35Å; I530-L532 PolarHBondContact O-N 3.44Å; L532-T535 PolarHBondContact O-OG1 2.9Å
533M88.8Confident86.7Confident7 Ų745.1 Ų45.13%0.03424%0.24CC..Hα-helixtrans-70.2-47.9179.5-70.6171.562.800112L529 I530 S531 T535 R536 I545 E546L529-M533 HydrophobicContact CD1-CG 4.29Å; L529-M533 HydrophobicContact CD1-SD 4.37Å; L529-M533 HydrophobicContact CG-CG 4.46Å; L529-M533 HydrophobicContact CG-SD 4.03Å; L529-M533 VanDerWaalsContact O-CG 3.31Å; L529-M533 WeakPolarHBondContact O-CG 3.33Å; L529-M533 PolarHBondContact O-N 3.41Å; I530-M533 PolarHBondContact O-N 3.26Å; S531-M533 VanDerWaalsContact C-N 3.34Å; S531-M533 PolarHBondContact O-N 3.3Å; M533-T535 VanDerWaalsContact C-N 3.26Å; M533-T535 PolarHBondContact O-N 3.46Å; M533-R536 PolarHBondContact O-N 2.65Å; M533-I545 HydrophobicContact CE-CB 3.79Å; M533-I545 HydrophobicContact CE-CD1 4.37Å; M533-I545 HydrophobicContact CE-CG2 3.45Å; M533-I545 VanDerWaalsContact CE-CG2 3.45Å; M533-I545 HydrophobicContact SD-CB 4.36Å; M533-I545 HydrophobicContact SD-CD1 4.49Å; M533-I545 HydrophobicContact SD-CG2 3.43Å; M533-I545 WeakPolarHBondContact SD-CG2 3.4Å; M533-E546 WeakPolarHBondContact CE-OE1 3.29Å
534D88.4Confident86.5Confident39 Ų3948.2 Ų48.221%0.20925%0.253CS..Hα-helixtrans-62.9-34-175.7-74.2-14.3000111.7I530 R536 L537 K594I530-D534 WeakPolarHBondContact CG2-OD2 3.21Å; I530-D534 WeakPolarHBondContact O-CB 3.3Å; I530-D534 PolarHBondContact O-N 2.97Å; D534-R536 PolarHBondContact O-N 3.14Å; D534-R536 VanDerWaalsContact O-N 3.11Å; D534-L537 PolarHBondContact O-N 3.3Å; D534-K594 IonicContact OD1-NZ 3.41Å; D534-K594 PolarHBondContact OD1-NZ 2.93Å; D534-K594 WeakPolarHBondContact OD2-CD 3.35Å; D534-K594 IonicContact OD2-NZ 2.68Å
535T86Confident86.3Confident104 Ų10448.1 Ų48.164%0.63825%0.252SS*.THydrogen-bonded Turntrans-63.6-15.7175.961.50000114.2S531 L532 M533S531-T535 WeakPolarHBondContact O-CG2 3.38Å; S531-T535 PolarHBondContact O-N 3.04Å; S531-T535 PolarHBondContact O-OG1 3.16Å; L532-T535 PolarHBondContact O-OG1 2.9Å; M533-T535 VanDerWaalsContact C-N 3.26Å; M533-T535 PolarHBondContact O-N 3.46Å
536R82.5Confident86.3Confident65 Ų6547 Ų4725%0.24525%0.248CC..THydrogen-bonded Turntrans-105.3-3.5-177.8-65.2-174.5173-129.82113.9L475 H476 M533 D534 H539 C540L475-R536 VanDerWaalsContact CB-NH1 3.31Å; L475-R536 PolarHBondContact O-NH1 3.03Å; H476-R536 PolarHBondContact CE1-NH2 2.99Å; H476-R536 PolarHBondContact NE2-NH2 3.42Å; M533-R536 PolarHBondContact O-N 2.65Å; D534-R536 PolarHBondContact O-N 3.14Å; D534-R536 VanDerWaalsContact O-N 3.11Å; R536-H539 PolarHBondContact O-N 3.16Å; R536-C540 HydrophobicContact CB-CB 3.9Å; R536-C540 PolarHBondContact O-N 3.32Å
537L82.5Confident86.2Confident21 Ų2148.4 Ų48.411%0.1126%0.256CS..THydrogen-bonded Turntrans-62.7140174.8-71.3170.4000110.5D534 T541 T597 Y601D534-L537 PolarHBondContact O-N 3.3Å; L537-T541 HydrophobicContact CD2-CG2 3.59Å; L537-T597 HydrophobicContact CD1-CG2 3.37Å; L537-Y601 HydrophobicContact CB-CD1 4.39Å; L537-Y601 HydrophobicContact CB-CD2 4.24Å; L537-Y601 HydrophobicContact CB-CE2 4.47Å; L537-Y601 HydrophobicContact CB-CG 4.2Å; L537-Y601 HydrophobicContact CD1-CD2 3.84Å; L537-Y601 HydrophobicContact CD1-CG 4.21Å
538P72.8Confident86.2Confident80 Ų8048 Ų4852%0.51925%0.254SS..THydrogen-bonded Turncis-91.74.86.536.7-36.4000115Y601P538-Y601 HydrophobicContact CB-CD1 4.2Å
539H69.5Low86.3Confident175 Ų17543.7 Ų43.781%0.8123%0.234SC*.THydrogen-bonded Turntrans-75.4-26.4-167.8-60.686.4000114.3R536R536-H539 PolarHBondContact O-N 3.16Å
540C65.8Low86.4Confident13 Ų1343.8 Ų43.89%0.08823%0.234CC..  trans-119.9101.3-178.7-164.60000109.2Y471 R536Y471-C540 PolarHBondContact OH-SG 3.31Å; R536-C540 HydrophobicContact CB-CB 3.9Å; R536-C540 PolarHBondContact O-N 3.32Å
541T70.5Confident86.5Confident76 Ų7645.4 Ų45.447%0.46624%0.24SC..  trans-127.2109.5-178.4460000109.4L537 W602L537-T541 HydrophobicContact CD2-CG2 3.59Å; T541-W602 VanDerWaalsContact CB-CH2 3.43Å; T541-W602 HydrophobicContact CG2-CH2 4.09Å; T541-W602 HydrophobicContact CG2-CZ2 3.73Å
542N85.3Confident86.8Confident26 Ų2642 Ų4214%0.13922%0.216CC..  trans-117.8113169-172.3-63.6000110.4E489 K544 I545 E546 W602E489-N542 HydrophobicContact CB-CB 4.49Å; E489-N542 WeakPolarHBondContact CB-ND2 3.31Å; E489-N542 VanDerWaalsContact CD-ND2 3.34Å; E489-N542 HydrophobicContact CG-CB 4.4Å; E489-N542 PolarHBondContact OE2-ND2 3.42Å; N542-K544 VanDerWaalsContact C-N 3.29Å; N542-K544 PolarHBondContact O-N 3.29Å; N542-K544 WeakPolarHBondContact OD1-CA 3.43Å; N542-K544 WeakPolarHBondContact OD1-CB 3.37Å; N542-K544 PolarHBondContact OD1-N 3.14Å; N542-I545 HydrophobicContact CB-CB 4.49Å; N542-I545 HydrophobicContact CB-CD1 4.14Å; N542-I545 HydrophobicContact CB-CG1 4.15Å; N542-I545 PolarHBondContact O-N 3.26Å; N542-I545 PolarHBondContact OD1-N 3.3Å; N542-I545 VanDerWaalsContact OD1-N 3.17Å; N542-E546 PolarHBondContact O-N 3.11Å; N542-W602 VanDerWaalsContact C-CH2 3.46Å
543E88.8Confident87.1Confident81 Ų8140.1 Ų40.138%0.37921%0.206SC..Hα-helixtrans-59.4-39.1-177.4176173.7170.900112.3E546 L547 W602 P607 V608E543-E546 PolarHBondContact O-N 2.79Å; E543-L547 HydrophobicContact CG-CD1 4Å; E543-L547 HydrophobicContact CG-CG 4.4Å; E543-L547 WeakPolarHBondContact O-CG 3.26Å; E543-L547 PolarHBondContact O-N 2.95Å; E543-W602 HydrophobicContact CB-CH2 4.34Å; E543-W602 HydrophobicContact CB-CZ3 4.03Å; E543-P607 WeakPolarHBondContact OE1-CG 3.31Å; E543-V608 HydrophobicContact CG-CG2 3.97Å
544K89.5Confident87.4Confident65 Ų6540.9 Ų40.928%0.28321%0.21SC..Hα-helixtrans-66.6-42.2-175.9-61.4-178.8173.4-179.80111.4D430 D433 A493 N542 A548D430-K544 IonicContact OD2-NZ 3.17Å; D430-K544 PolarHBondContact OD2-NZ 3.45Å; D433-K544 IonicContact OD1-NZ 2.88Å; A493-K544 HydrophobicContact CB-CB 4.15Å; N542-K544 VanDerWaalsContact C-N 3.29Å; N542-K544 PolarHBondContact O-N 3.29Å; N542-K544 WeakPolarHBondContact OD1-CA 3.43Å; N542-K544 WeakPolarHBondContact OD1-CB 3.37Å; N542-K544 PolarHBondContact OD1-N 3.14Å; K544-A548 WeakPolarHBondContact O-CB 3.4Å; K544-A548 PolarHBondContact O-N 3.46Å
545I93Very high87.5Confident0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-65.6-41.8175.9-56.1-179.5000110.3E489 L492 A493 I496 M533 N542 L547 A548 V549E489-I545 HydrophobicContact CB-CD1 3.75Å; E489-I545 HydrophobicContact CB-CG1 4.26Å; E489-I545 HydrophobicContact CG-CD1 3.81Å; E489-I545 WeakPolarHBondContact O-CG1 3.32Å; L492-I545 HydrophobicContact CB-CD1 4.43Å; A493-I545 HydrophobicContact CB-CG1 4.27Å; I496-I545 HydrophobicContact CD1-CG2 3.59Å; M533-I545 HydrophobicContact CE-CB 3.79Å; M533-I545 HydrophobicContact CE-CD1 4.37Å; M533-I545 HydrophobicContact CE-CG2 3.45Å; M533-I545 VanDerWaalsContact CE-CG2 3.45Å; M533-I545 HydrophobicContact SD-CB 4.36Å; M533-I545 HydrophobicContact SD-CD1 4.49Å; M533-I545 HydrophobicContact SD-CG2 3.43Å; M533-I545 WeakPolarHBondContact SD-CG2 3.4Å; N542-I545 HydrophobicContact CB-CB 4.49Å; N542-I545 HydrophobicContact CB-CD1 4.14Å; N542-I545 HydrophobicContact CB-CG1 4.15Å; N542-I545 PolarHBondContact O-N 3.26Å; N542-I545 PolarHBondContact OD1-N 3.3Å; N542-I545 VanDerWaalsContact OD1-N 3.17Å; I545-L547 PolarHBondContact O-N 3.41Å; I545-A548 WeakPolarHBondContact O-CB 3.38Å; I545-A548 PolarHBondContact O-N 3.4Å; I545-V549 HydrophobicContact CG2-CG2 4.26Å; I545-V549 WeakPolarHBondContact O-CG2 3.43Å; I545-V549 PolarHBondContact O-N 3.02Å
546E94.3Very high87.9Confident3 Ų335.2 Ų35.21%0.01418%0.175CC..Hα-helixtrans-62.9-41.9178.8-73.6-60.5155.700113.1M533 N542 E543 A548 V549 L550 K594 N598 W602 V608M533-E546 WeakPolarHBondContact CE-OE1 3.29Å; N542-E546 PolarHBondContact O-N 3.11Å; E543-E546 PolarHBondContact O-N 2.79Å; E546-A548 VanDerWaalsContact C-N 3.33Å; E546-V549 PolarHBondContact O-N 2.78Å; E546-L550 WeakPolarHBondContact O-CG 3.02Å; E546-L550 PolarHBondContact O-N 2.87Å; E546-K594 IonicContact OE1-NZ 3.35Å; E546-K594 PolarHBondContact OE1-NZ 2.82Å; E546-K594 WeakPolarHBondContact OE2-CE 3.49Å; E546-K594 IonicContact OE2-NZ 3.42Å; E546-K594 PolarHBondContact OE2-NZ 3.23Å; E546-N598 PolarHBondContact OE2-ND2 3.48Å; E546-N598 PolarHBondContact OE2-OD1 2.73Å; E546-W602 HydrophobicContact CB-CZ2 4.46Å; E546-W602 HydrophobicContact CG-CH2 4.21Å; E546-W602 HydrophobicContact CG-CZ2 3.46Å; E546-W602 VanDerWaalsContact CG-CZ2 3.46Å; E546-V608 HydrophobicContact CB-CG1 4.47Å; E546-V608 HydrophobicContact CB-CG2 4.18Å
547L94.5Very high88.3Confident31 Ų3134 Ų3416%0.16217%0.171CC..Hα-helixtrans-63.5-40.4174-68.3173.4000111.6E543 I545 L550 W551 P607 V608 R611E543-L547 HydrophobicContact CG-CD1 4Å; E543-L547 HydrophobicContact CG-CG 4.4Å; E543-L547 WeakPolarHBondContact O-CG 3.26Å; E543-L547 PolarHBondContact O-N 2.95Å; I545-L547 PolarHBondContact O-N 3.41Å; L547-L550 PolarHBondContact O-N 3.12Å; L547-W551 PolarHBondContact O-N 3.45Å; L547-P607 HydrophobicContact CD1-CB 4.46Å; L547-P607 HydrophobicContact CD2-CB 4.35Å; L547-V608 HydrophobicContact CD2-CG2 4.07Å; L547-V608 HydrophobicContact CG-CG2 4.17Å; L547-R611 HydrophobicContact CD2-CB 4.35Å; L547-R611 HydrophobicContact CD2-CG 4.04Å
548A95.7Very high88.5Confident0 Ų038.4 Ų38.40%019%0.189CC..Hα-helixtrans-64.5-41.4174.700000112.1A493 I496 Y497 K544 I545 E546 W551 F552A493-A548 HydrophobicContact CB-CB 4.27Å; A493-A548 WeakPolarHBondContact O-CB 3.43Å; I496-A548 HydrophobicContact CB-CB 3.88Å; I496-A548 VanDerWaalsContact CG2-C 3.44Å; I496-A548 HydrophobicContact CG2-CB 3.91Å; I496-A548 VanDerWaalsContact CG2-O 3.26Å; I496-A548 WeakPolarHBondContact CG2-O 3.36Å; Y497-A548 HydrophobicContact CD1-CB 4.33Å; Y497-A548 HydrophobicContact CD2-CB 3.62Å; Y497-A548 HydrophobicContact CE1-CB 4.25Å; Y497-A548 HydrophobicContact CE2-CB 3.56Å; Y497-A548 HydrophobicContact CG-CB 4.01Å; K544-A548 WeakPolarHBondContact O-CB 3.4Å; K544-A548 PolarHBondContact O-N 3.46Å; I545-A548 WeakPolarHBondContact O-CB 3.38Å; I545-A548 PolarHBondContact O-N 3.4Å; E546-A548 VanDerWaalsContact C-N 3.33Å; A548-W551 WeakPolarHBondContact O-CB 3.22Å; A548-W551 PolarHBondContact O-N 2.9Å; A548-F552 PolarHBondContact O-N 2.86Å
549V96.6Very high89.2Confident1 Ų135.2 Ų35.21%0.00617%0.168CC..Hα-helixtrans-59.2-49.3174164.60000110.3I496 I530 I545 E546 W551 F552 L553I496-V549 HydrophobicContact CD1-CG2 4Å; I496-V549 HydrophobicContact CG2-CG2 4.44Å; I530-V549 HydrophobicContact CD1-CG1 3.57Å; I530-V549 HydrophobicContact CD1-CG2 4.38Å; I530-V549 HydrophobicContact CG1-CG1 3.76Å; I530-V549 HydrophobicContact CG1-CG2 3.88Å; I545-V549 HydrophobicContact CG2-CG2 4.26Å; I545-V549 WeakPolarHBondContact O-CG2 3.43Å; I545-V549 PolarHBondContact O-N 3.02Å; E546-V549 PolarHBondContact O-N 2.78Å; V549-W551 VanDerWaalsContact C-N 3.26Å; V549-W551 PolarHBondContact O-N 2.79Å; V549-F552 WeakPolarHBondContact O-CB 3.42Å; V549-F552 PolarHBondContact O-N 3.26Å; V549-F552 VanDerWaalsContact O-N 3.11Å; V549-L553 HydrophobicContact CG1-CD1 3.92Å; V549-L553 HydrophobicContact CG1-CG 4.16Å; V549-L553 VanDerWaalsContact O-CG 3.29Å; V549-L553 WeakPolarHBondContact O-CG 3.43Å; V549-L553 PolarHBondContact O-N 3.1Å
550L96.4Very high90Very high9 Ų927.3 Ų27.35%0.04713%0.131CC..Hα-helixtrans-59.6-37.5177.9-71.7168.7000112.2E546 L547 D554 V608 R611 T612E546-L550 WeakPolarHBondContact O-CG 3.02Å; E546-L550 PolarHBondContact O-N 2.87Å; L547-L550 PolarHBondContact O-N 3.12Å; L550-D554 PolarHBondContact O-N 3.47Å; L550-D554 VanDerWaalsContact O-N 3.08Å; L550-V608 HydrophobicContact CD1-CG1 4.4Å; L550-R611 HydrophobicContact CD1-CB 3.79Å; L550-T612 WeakPolarHBondContact CD1-OG1 3.45Å
551W94.7Very high90.9Very high44 Ų4426.9 Ų26.917%0.16713%0.128CC..Hα-helixtrans-61.6-50.7171.7173.3-98.1000112F439 Y497 T501 L547 A548 V549 L553 D554 Q555F439-W551 HydrophobicContact CB-CH2 4.4Å; F439-W551 HydrophobicContact CD1-CE3 4.27Å; F439-W551 HydrophobicContact CD1-CH2 4.21Å; F439-W551 HydrophobicContact CD1-CZ2 4.5Å; F439-W551 HydrophobicContact CD1-CZ3 4.1Å; F439-W551 HydrophobicContact CD2-CZ3 4.03Å; F439-W551 HydrophobicContact CE1-CD2 4.23Å; F439-W551 AromaticContact CE1-CE3 3.97Å; F439-W551 HydrophobicContact CE1-CE3 3.97Å; F439-W551 HydrophobicContact CE1-CZ3 4.23Å; F439-W551 HydrophobicContact CE2-CE3 4.26Å; F439-W551 HydrophobicContact CE2-CZ3 4.15Å; F439-W551 HydrophobicContact CG-CH2 4.14Å; F439-W551 HydrophobicContact CG-CZ3 4.02Å; F439-W551 AromaticContact CZ-CE3 3.96Å; F439-W551 HydrophobicContact CZ-CE3 3.96Å; F439-W551 HydrophobicContact CZ-CZ3 4.25Å; Y497-W551 HydrophobicContact CD1-CB 3.79Å; Y497-W551 AromaticContact CD1-CD1 3.49Å; Y497-W551 VanDerWaalsContact CD1-CD1 3.49Å; Y497-W551 HydrophobicContact CD1-CD2 4.32Å; Y497-W551 AromaticContact CD1-CG 3.59Å; Y497-W551 HydrophobicContact CD1-CG 3.59Å; Y497-W551 HydrophobicContact CE1-CB 3.54Å; Y497-W551 HydrophobicContact CE1-CD2 4.42Å; Y497-W551 AromaticContact CE1-CG 3.76Å; Y497-W551 HydrophobicContact CE1-CG 3.76Å; Y497-W551 PolarHBondContact O-NE1 3.46Å; T501-W551 PolarHBondContact OG1-NE1 3.45Å; L547-W551 PolarHBondContact O-N 3.45Å; A548-W551 WeakPolarHBondContact O-CB 3.22Å; A548-W551 PolarHBondContact O-N 2.9Å; V549-W551 VanDerWaalsContact C-N 3.26Å; V549-W551 PolarHBondContact O-N 2.79Å; W551-L553 VanDerWaalsContact C-N 3.34Å; W551-L553 PolarHBondContact O-N 3.08Å; W551-D554 PolarHBondContact O-N 3.47Å; W551-Q555 HydrophobicContact CD2-CG 4.13Å; W551-Q555 HydrophobicContact CG-CG 4.42Å; W551-Q555 HydrophobicContact CZ2-CG 4.1Å; W551-Q555 WeakPolarHBondContact O-CG 3.4Å; W551-Q555 PolarHBondContact O-N 3.45Å
552F97Very high91.1Very high0 Ų024.7 Ų24.70%012%0.121CC..Hα-helixtrans-56.7-46.7176.9165.4-96.1000111.9I496 V499 V526 F527 A548 V549 D554 Q555 F556I496-F552 HydrophobicContact CG2-CB 3.73Å; V499-F552 HydrophobicContact CG1-CD2 3.91Å; V499-F552 HydrophobicContact CG1-CE2 3.84Å; V526-F552 HydrophobicContact CB-CD1 4.08Å; V526-F552 HydrophobicContact CB-CD2 4.43Å; V526-F552 HydrophobicContact CB-CE1 3.9Å; V526-F552 HydrophobicContact CB-CE2 4.28Å; V526-F552 HydrophobicContact CB-CG 4.35Å; V526-F552 HydrophobicContact CB-CZ 4.02Å; V526-F552 HydrophobicContact CG1-CB 4.36Å; V526-F552 HydrophobicContact CG1-CD1 3.43Å; V526-F552 VanDerWaalsContact CG1-CD1 3.43Å; V526-F552 HydrophobicContact CG1-CD2 4.31Å; V526-F552 HydrophobicContact CG1-CE1 3.72Å; V526-F552 HydrophobicContact CG1-CG 3.76Å; V526-F552 HydrophobicContact CG1-CZ 4.29Å; V526-F552 HydrophobicContact CG2-CD2 4.16Å; V526-F552 HydrophobicContact CG2-CE2 4.14Å; V526-F552 HydrophobicContact CG2-CG 4.41Å; V526-F552 HydrophobicContact CG2-CZ 4.37Å; F527-F552 HydrophobicContact CD2-CE1 4.32Å; F527-F552 HydrophobicContact CD2-CZ 4.46Å; F527-F552 HydrophobicContact CE1-CE1 4.5Å; F527-F552 AromaticContact CE2-CE1 3.88Å; F527-F552 HydrophobicContact CE2-CE1 3.88Å; F527-F552 HydrophobicContact CE2-CZ 4.03Å; F527-F552 AromaticContact CZ-CE1 3.99Å; F527-F552 HydrophobicContact CZ-CE1 3.99Å; A548-F552 PolarHBondContact O-N 2.86Å; V549-F552 WeakPolarHBondContact O-CB 3.42Å; V549-F552 PolarHBondContact O-N 3.26Å; V549-F552 VanDerWaalsContact O-N 3.11Å; F552-D554 VanDerWaalsContact C-N 3.32Å; F552-D554 PolarHBondContact O-N 2.92Å; F552-Q555 PolarHBondContact O-N 3.1Å; F552-F556 HydrophobicContact CE2-CD2 4.38Å; F552-F556 HydrophobicContact CZ-CB 4.31Å; F552-F556 AromaticContact CZ-CD2 3.96Å; F552-F556 HydrophobicContact CZ-CD2 3.96Å; F552-F556 HydrophobicContact CZ-CG 4.41Å; F552-F556 VanDerWaalsContact O-CB 3.32Å; F552-F556 WeakPolarHBondContact O-CB 3.36Å; F552-F556 PolarHBondContact O-N 2.91Å
553L96.5Very high90.1Very high3 Ų327.4 Ų27.42%0.01614%0.136CC..Hα-helixtrans-61.8-39.9-179.9-62.9177.4000111.8F527 I530 V549 W551 R557 F591 K594 F615F527-L553 HydrophobicContact CE1-CD2 3.82Å; F527-L553 HydrophobicContact CZ-CD2 4.17Å; I530-L553 HydrophobicContact CD1-CD2 4.16Å; V549-L553 HydrophobicContact CG1-CD1 3.92Å; V549-L553 HydrophobicContact CG1-CG 4.16Å; V549-L553 VanDerWaalsContact O-CG 3.29Å; V549-L553 WeakPolarHBondContact O-CG 3.43Å; V549-L553 PolarHBondContact O-N 3.1Å; W551-L553 VanDerWaalsContact C-N 3.34Å; W551-L553 PolarHBondContact O-N 3.08Å; L553-R557 VanDerWaalsContact O-CB 3.22Å; L553-R557 WeakPolarHBondContact O-CB 3.42Å; L553-R557 PolarHBondContact O-N 3.33Å; L553-F591 HydrophobicContact CB-CE1 4.21Å; L553-F591 HydrophobicContact CD2-CD1 3.77Å; L553-F591 HydrophobicContact CD2-CE1 3.48Å; L553-F591 VanDerWaalsContact CD2-CE1 3.48Å; L553-F591 HydrophobicContact CD2-CZ 4.49Å; L553-F591 HydrophobicContact CG-CE1 4.35Å; L553-K594 HydrophobicContact CD1-CB 4.46Å; L553-K594 HydrophobicContact CD1-CG 4.08Å; L553-F615 HydrophobicContact CB-CE1 4.06Å; L553-F615 HydrophobicContact CB-CE2 4.35Å; L553-F615 HydrophobicContact CB-CZ 3.78Å; L553-F615 HydrophobicContact CD1-CE1 4.41Å
554D94.1Very high88.8Confident22 Ų2232.5 Ų32.512%0.11816%0.159CC..Hα-helixtrans-68.6-40.4175.8-176.149.2000112.8L550 W551 F552 R557 K558 F615L550-D554 PolarHBondContact O-N 3.47Å; L550-D554 VanDerWaalsContact O-N 3.08Å; W551-D554 PolarHBondContact O-N 3.47Å; F552-D554 VanDerWaalsContact C-N 3.32Å; F552-D554 PolarHBondContact O-N 2.92Å; D554-R557 PolarHBondContact O-N 2.82Å; D554-R557 IonicContact OD1-CZ 3.13Å; D554-R557 IonicContact OD1-NE 2.92Å; D554-R557 PolarHBondContact OD1-NE 3.45Å; D554-R557 VanDerWaalsContact OD1-NE 3.13Å; D554-R557 IonicContact OD1-NH2 3.82Å; D554-R557 PolarHBondContact OD1-NH2 2.82Å; D554-K558 WeakPolarHBondContact O-CG 3.26Å; D554-K558 PolarHBondContact O-N 3.37Å; D554-K558 WeakPolarHBondContact OD2-CE 3.16Å; D554-K558 IonicContact OD2-NZ 2.82Å; D554-K558 PolarHBondContact OD2-NZ 3.32Å; D554-F615 HydrophobicContact CB-CD2 3.99Å; D554-F615 HydrophobicContact CB-CE2 4.11Å
555Q92.3Very high87.4Confident24 Ų2433.2 Ų33.211%0.11217%0.166CC..Hα-helixtrans-66.5-42175.7-65.8-58.7-24.300112.3G500 W551 F552 R557 K558 T559G500-Q555 WeakPolarHBondContact O-CB 3.28Å; G500-Q555 WeakPolarHBondContact O-CG 3.46Å; W551-Q555 HydrophobicContact CD2-CG 4.13Å; W551-Q555 HydrophobicContact CG-CG 4.42Å; W551-Q555 HydrophobicContact CZ2-CG 4.1Å; W551-Q555 WeakPolarHBondContact O-CG 3.4Å; W551-Q555 PolarHBondContact O-N 3.45Å; F552-Q555 PolarHBondContact O-N 3.1Å; Q555-R557 VanDerWaalsContact C-N 3.35Å; Q555-K558 PolarHBondContact O-N 2.89Å; Q555-T559 PolarHBondContact O-N 3.22Å; Q555-T559 PolarHBondContact O-OG1 3.33Å
556F92.9Very high85.5Confident0 Ų042.3 Ų42.30%021%0.208CC..Hα-helixtrans-62.1-44.9173.9-170.6-82000110.5V503 S523 F552 T559 Y560 V561 V571 M575 V587 F591V503-F556 HydrophobicContact CG1-CD2 4.19Å; S523-F556 WeakPolarHBondContact OG-CD2 3.35Å; S523-F556 WeakPolarHBondContact OG-CE2 3.46Å; F552-F556 HydrophobicContact CE2-CD2 4.38Å; F552-F556 HydrophobicContact CZ-CB 4.31Å; F552-F556 AromaticContact CZ-CD2 3.96Å; F552-F556 HydrophobicContact CZ-CD2 3.96Å; F552-F556 HydrophobicContact CZ-CG 4.41Å; F552-F556 VanDerWaalsContact O-CB 3.32Å; F552-F556 WeakPolarHBondContact O-CB 3.36Å; F552-F556 PolarHBondContact O-N 2.91Å; F556-T559 PolarHBondContact O-N 3.32Å; F556-Y560 AromaticContact CD2-CD2 3.96Å; F556-Y560 HydrophobicContact CD2-CD2 3.96Å; F556-Y560 HydrophobicContact CE1-CD2 4.38Å; F556-Y560 HydrophobicContact CE1-CG 4.46Å; F556-Y560 AromaticContact CE2-CD2 3.74Å; F556-Y560 HydrophobicContact CE2-CD2 3.74Å; F556-Y560 HydrophobicContact CE2-CE2 4.35Å; F556-Y560 HydrophobicContact CE2-CG 4.45Å; F556-Y560 HydrophobicContact CG-CD2 4.38Å; F556-Y560 AromaticContact CZ-CD2 3.96Å; F556-Y560 HydrophobicContact CZ-CD2 3.96Å; F556-Y560 HydrophobicContact CZ-CG 4.23Å; F556-Y560 PolarHBondContact O-N 2.8Å; F556-V561 HydrophobicContact CD1-CG2 4.21Å; F556-V561 HydrophobicContact CE1-CG2 4.18Å; F556-V571 HydrophobicContact CE2-CG2 4.17Å; F556-V571 HydrophobicContact CZ-CG2 4.38Å; F556-M575 HydrophobicContact CE2-SD 3.96Å; F556-M575 HydrophobicContact CZ-CE 4.08Å; F556-M575 HydrophobicContact CZ-SD 3.67Å; F556-V587 HydrophobicContact CD1-CG1 4.21Å; F556-V587 HydrophobicContact CE1-CG1 3.91Å; F556-V587 HydrophobicContact CE1-CG2 4.14Å; F556-F591 AromaticContact CD1-CZ 3.98Å; F556-F591 HydrophobicContact CD1-CZ 3.98Å
557R91.1Very high83.7Confident40 Ų4051.4 Ų51.415%0.15124%0.242CC..Hα-helixtrans-56.8-53.4176.3-178.2-161.763.690.5-6.1111.3L553 D554 Q555 T559 Y560 V561 F591 F615 L619L553-R557 VanDerWaalsContact O-CB 3.22Å; L553-R557 WeakPolarHBondContact O-CB 3.42Å; L553-R557 PolarHBondContact O-N 3.33Å; D554-R557 PolarHBondContact O-N 2.82Å; D554-R557 IonicContact OD1-CZ 3.13Å; D554-R557 IonicContact OD1-NE 2.92Å; D554-R557 PolarHBondContact OD1-NE 3.45Å; D554-R557 VanDerWaalsContact OD1-NE 3.13Å; D554-R557 IonicContact OD1-NH2 3.82Å; D554-R557 PolarHBondContact OD1-NH2 2.82Å; Q555-R557 VanDerWaalsContact C-N 3.35Å; R557-T559 PolarHBondContact O-N 2.92Å; R557-T559 VanDerWaalsContact O-N 3.12Å; R557-Y560 PolarHBondContact O-N 3.07Å; R557-V561 HydrophobicContact CB-CB 4.44Å; R557-V561 HydrophobicContact CG-CB 4.06Å; R557-V561 HydrophobicContact CG-CG1 4.45Å; R557-V561 CarbonylContact O-C 3Å; R557-V561 WeakPolarHBondContact O-CA 3.41Å; R557-V561 PolarHBondContact O-N 3.27Å; R557-F591 HydrophobicContact CB-CE2 3.85Å; R557-F591 HydrophobicContact CB-CZ 4.31Å; R557-F591 HydrophobicContact CG-CE2 4.24Å; R557-F615 HydrophobicContact CB-CE2 4.09Å; R557-F615 HydrophobicContact CG-CE2 4.45Å; R557-L619 HydrophobicContact CG-CD2 4.01Å
558K87.8Confident82Confident114 Ų11456.8 Ų56.850%0.49628%0.277SS..Hα-helixtrans-55.5-31.6179.9-75166.4174.9161.80113.1D554 Q555D554-K558 WeakPolarHBondContact O-CG 3.26Å; D554-K558 PolarHBondContact O-N 3.37Å; D554-K558 WeakPolarHBondContact OD2-CE 3.16Å; D554-K558 IonicContact OD2-NZ 2.82Å; D554-K558 PolarHBondContact OD2-NZ 3.32Å; Q555-K558 PolarHBondContact O-N 2.89Å
559T86.2Confident80.9Confident13 Ų1357.4 Ų57.48%0.0828%0.281CS..Hα-helixtrans-91.2-40.4-174.3-53.50000113.4V503 G504 R506 Q555 F556 R557 L565V503-T559 PolarHBondContact O-OG1 2.94Å; G504-T559 WeakPolarHBondContact CA-OG1 3.34Å; R506-T559 HydrophobicContact CB-CG2 3.67Å; R506-T559 HydrophobicContact CG-CG2 4.33Å; Q555-T559 PolarHBondContact O-N 3.22Å; Q555-T559 PolarHBondContact O-OG1 3.33Å; F556-T559 PolarHBondContact O-N 3.32Å; R557-T559 PolarHBondContact O-N 2.92Å; R557-T559 VanDerWaalsContact O-N 3.12Å; T559-L565 WeakPolarHBondContact O-CD1 3.24Å; T559-L565 WeakPolarHBondContact O-CD2 3.29Å
560Y87Confident80.3Confident8 Ų862 Ų623%0.03130%0.301CS..Hα-helixtrans-121.8-11.2-168.3-69.3-65.7000114.6V503 D516 D519 F556 R557 S569 V571 Y572V503-Y560 HydrophobicContact CG1-CD2 4.29Å; V503-Y560 HydrophobicContact CG1-CE2 3.92Å; D516-Y560 VanDerWaalsContact OD1-CE1 3.31Å; D516-Y560 WeakPolarHBondContact OD1-CE1 3.44Å; D516-Y560 PolarHBondContact OD1-OH 3.24Å; D519-Y560 HydrophobicContact CB-CE2 4.08Å; D519-Y560 VanDerWaalsContact CB-OH 3.31Å; D519-Y560 WeakPolarHBondContact CB-OH 3.44Å; D519-Y560 PolarHBondContact OD2-OH 3.11Å; F556-Y560 AromaticContact CD2-CD2 3.96Å; F556-Y560 HydrophobicContact CD2-CD2 3.96Å; F556-Y560 HydrophobicContact CE1-CD2 4.38Å; F556-Y560 HydrophobicContact CE1-CG 4.46Å; F556-Y560 AromaticContact CE2-CD2 3.74Å; F556-Y560 HydrophobicContact CE2-CD2 3.74Å; F556-Y560 HydrophobicContact CE2-CE2 4.35Å; F556-Y560 HydrophobicContact CE2-CG 4.45Å; F556-Y560 HydrophobicContact CG-CD2 4.38Å; F556-Y560 AromaticContact CZ-CD2 3.96Å; F556-Y560 HydrophobicContact CZ-CD2 3.96Å; F556-Y560 HydrophobicContact CZ-CG 4.23Å; F556-Y560 PolarHBondContact O-N 2.8Å; R557-Y560 PolarHBondContact O-N 3.07Å; Y560-S569 WeakPolarHBondContact CE1-OG 3.42Å; Y560-V571 HydrophobicContact CD1-CB 4.34Å; Y560-V571 HydrophobicContact CD1-CG1 3.7Å; Y560-V571 HydrophobicContact CD2-CG2 4.31Å; Y560-V571 HydrophobicContact CE1-CB 3.9Å; Y560-V571 HydrophobicContact CE1-CG1 3.74Å; Y560-V571 HydrophobicContact CE1-CG2 4.21Å; Y560-V571 HydrophobicContact CE2-CG2 3.95Å; Y560-V571 HydrophobicContact CG-CG1 4.19Å; Y560-Y572 PolarHBondContact O-OH 3Å
561V85.1Confident79.9Confident4 Ų461.6 Ų61.62%0.02430%0.299CS..SBendtrans-126.497.2-175.4-172.20000110.5F556 R557 V587 L588 F591 L625F556-V561 HydrophobicContact CD1-CG2 4.21Å; F556-V561 HydrophobicContact CE1-CG2 4.18Å; R557-V561 HydrophobicContact CB-CB 4.44Å; R557-V561 HydrophobicContact CG-CB 4.06Å; R557-V561 HydrophobicContact CG-CG1 4.45Å; R557-V561 CarbonylContact O-C 3Å; R557-V561 WeakPolarHBondContact O-CA 3.41Å; R557-V561 PolarHBondContact O-N 3.27Å; V561-V587 HydrophobicContact CG2-CG1 3.92Å; V561-L588 HydrophobicContact CG1-CD2 3.67Å; V561-L588 HydrophobicContact CG1-CG 4.14Å; V561-F591 HydrophobicContact CG2-CE2 4.19Å; V561-F591 HydrophobicContact CG2-CZ 4.44Å; V561-L625 HydrophobicContact CG1-CD1 4.43Å
562G73.4Confident79.6Confident31 Ų3160.8 Ų60.832%0.3230%0.296SS..SBendtrans-177.7168.8177.600000114.9Q564 L565G562-Q564 PolarHBondContact O-N 2.92Å; G562-Q564 VanDerWaalsContact O-N 3.08Å; G562-L565 PolarHBondContact O-N 3.38Å
563D65.5Low79.1Confident83 Ų8363.4 Ų63.444%0.44432%0.317SS..THydrogen-bonded Turntrans-58.6-26.2-168.4-68.51.6000115.1I624D563-I624 HydrophobicContact CB-CD1 4.05Å; D563-I624 WeakPolarHBondContact OD1-CB 3.43Å
564Q60.9Low78.5Confident188 Ų18867.4 Ų67.488%0.87933%0.332SS*.THydrogen-bonded Turntrans-100.1-4.4-174-63.1-168.52.400114.8G562 Q566G562-Q564 PolarHBondContact O-N 2.92Å; G562-Q564 VanDerWaalsContact O-N 3.08Å; Q564-Q566 PolarHBondContact O-N 3.02Å; Q564-Q566 VanDerWaalsContact O-N 3.14Å
565L60.3Low78.3Confident80 Ų8066.4 Ų66.442%0.41933%0.327SS..  trans-89.177.1-174.1-76.6143.4000111.2T559 G562 R567T559-L565 WeakPolarHBondContact O-CD1 3.24Å; T559-L565 WeakPolarHBondContact O-CD2 3.29Å; G562-L565 PolarHBondContact O-N 3.38Å; L565-R567 VanDerWaalsContact C-N 3.28Å; L565-R567 PolarHBondContact O-N 3.18Å
566Q52.3Low78.2Confident191 Ų19167.4 Ų67.489%0.89334%0.337SS*.  trans-81.82.3175.5-70.6-173.5-6.300114.4Q564Q564-Q566 PolarHBondContact O-N 3.02Å; Q564-Q566 VanDerWaalsContact O-N 3.14Å
567R56.4Low78Confident193 Ų19374 Ų7473%0.72837%0.367SS*.SBendtrans-87.1122.7-177.3-68.4-173-176.7178.32.2110.4L565 S569L565-R567 VanDerWaalsContact C-N 3.28Å; L565-R567 PolarHBondContact O-N 3.18Å; R567-S569 PolarHBondContact O-N 3.07Å
568T58.9Low77.9Confident145 Ų14574.5 Ų74.589%0.8938%0.375SS*.  trans-59.683.6160.427.20000109
569S73.2Confident78Confident12 Ų1271.7 Ų71.78%0.08437%0.365CS..  trans-71.4139.1-179.8168.90000110.4D516 Y560 R567 V571 Y572D516-S569 WeakPolarHBondContact CB-OG 3.24Å; D516-S569 PolarHBondContact OD1-OG 3.37Å; D516-S569 PolarHBondContact OD2-OG 3.05Å; Y560-S569 WeakPolarHBondContact CE1-OG 3.42Å; R567-S569 PolarHBondContact O-N 3.07Å; S569-V571 PolarHBondContact O-N 3.07Å; S569-V571 WeakPolarHBondContact OG-CB 3.26Å; S569-V571 WeakPolarHBondContact OG-CG1 3.38Å; S569-V571 PolarHBondContact OG-N 3.35Å; S569-Y572 PolarHBondContact O-N 3.24Å
570K84.2Confident78.1Confident99 Ų9973.1 Ų73.143%0.4338%0.383SS..Hα-helixtrans-61.3-11.8173.8-70.1-163.9-172.4164.80113.5D513 D516 A517 Y572 A573D513-K570 HydrophobicContact CB-CD 3.83Å; D513-K570 HydrophobicContact CB-CG 4.24Å; D513-K570 WeakPolarHBondContact OD2-CE 3.4Å; D513-K570 IonicContact OD2-NZ 3.04Å; D516-K570 HydrophobicContact CB-CB 4.23Å; A517-K570 HydrophobicContact CB-CB 4.33Å; K570-Y572 PolarHBondContact O-N 3.4Å; K570-A573 WeakPolarHBondContact O-CB 3.18Å; K570-A573 PolarHBondContact O-N 3.29Å; K570-A573 VanDerWaalsContact O-N 3.15Å
571V87.6Confident78.2Confident0 Ų073.4 Ų73.40%038%0.384CS..Hα-helixtrans-52.4-44170.878.10000111.3D516 D519 F556 Y560 S569 M575D516-V571 WeakPolarHBondContact O-CA 3.16Å; D516-V571 WeakPolarHBondContact O-CB 3.34Å; D516-V571 PolarHBondContact O-N 3.41Å; D519-V571 HydrophobicContact CB-CG2 4.38Å; F556-V571 HydrophobicContact CE2-CG2 4.17Å; F556-V571 HydrophobicContact CZ-CG2 4.38Å; Y560-V571 HydrophobicContact CD1-CB 4.34Å; Y560-V571 HydrophobicContact CD1-CG1 3.7Å; Y560-V571 HydrophobicContact CD2-CG2 4.31Å; Y560-V571 HydrophobicContact CE1-CB 3.9Å; Y560-V571 HydrophobicContact CE1-CG1 3.74Å; Y560-V571 HydrophobicContact CE1-CG2 4.21Å; Y560-V571 HydrophobicContact CE2-CG2 3.95Å; Y560-V571 HydrophobicContact CG-CG1 4.19Å; S569-V571 PolarHBondContact O-N 3.07Å; S569-V571 WeakPolarHBondContact OG-CB 3.26Å; S569-V571 WeakPolarHBondContact OG-CG1 3.38Å; S569-V571 PolarHBondContact OG-N 3.35Å; V571-M575 HydrophobicContact CG2-SD 4.18Å; V571-M575 WeakPolarHBondContact O-CG 3.15Å; V571-M575 PolarHBondContact O-N 2.87Å
572Y88.5Confident78.3Confident27 Ų2776.6 Ų76.611%0.10640%0.404CS..Hα-helixtrans-76.2-25.7-177.6-67-66.8000112.5Y560 S569 K570 R574 M575 S576 D584 V587Y560-Y572 PolarHBondContact O-OH 3Å; S569-Y572 PolarHBondContact O-N 3.24Å; K570-Y572 PolarHBondContact O-N 3.4Å; Y572-R574 VanDerWaalsContact C-N 3.32Å; Y572-R574 PolarHBondContact O-N 2.86Å; Y572-M575 PolarHBondContact O-N 3.3Å; Y572-S576 WeakPolarHBondContact O-CB 3.29Å; Y572-S576 PolarHBondContact O-N 2.96Å; Y572-D584 WeakPolarHBondContact OH-CB 3.32Å; Y572-V587 HydrophobicContact CE1-CG2 3.75Å
573A87.3Confident78.9Confident54 Ų5477.5 Ų77.545%0.44640%0.402SS..Hα-helixtrans-60.2-47.7176.300000110.1K570 S576 E577K570-A573 WeakPolarHBondContact O-CB 3.18Å; K570-A573 PolarHBondContact O-N 3.29Å; K570-A573 VanDerWaalsContact O-N 3.15Å; A573-S576 PolarHBondContact O-N 2.83Å; A573-E577 WeakPolarHBondContact O-CG 3.3Å; A573-E577 PolarHBondContact O-N 3.47Å
574R84.2Confident79.9Confident88 Ų8875.4 Ų75.433%0.33239%0.39SS..Hα-helixtrans-71.4-41.4179.4-169.654173167.42.6113E521 Y572 S576 E577 V578E521-R574 IonicContact OE1-NH2 3.44Å; E521-R574 IonicContact OE2-CZ 3.87Å; E521-R574 IonicContact OE2-NE 3.27Å; E521-R574 PolarHBondContact OE2-NE 2.95Å; E521-R574 IonicContact OE2-NH2 2.72Å; E521-R574 PolarHBondContact OE2-NH2 3.44Å; Y572-R574 VanDerWaalsContact C-N 3.32Å; Y572-R574 PolarHBondContact O-N 2.86Å; R574-S576 VanDerWaalsContact C-N 3.28Å; R574-S576 PolarHBondContact O-N 3.32Å; R574-E577 IonicContact CZ-OE2 2.76Å; R574-E577 IonicContact NH1-OE2 2.75Å; R574-E577 PolarHBondContact NH1-OE2 2.97Å; R574-E577 PolarHBondContact O-N 3.35Å; R574-V578 WeakPolarHBondContact O-CG2 3.32Å; R574-V578 PolarHBondContact O-N 3.22Å; R574-V578 VanDerWaalsContact O-N 3.12Å
575M90.2Very high81.2Confident0 Ų069.2 Ų69.20%036%0.363CS..Hα-helixtrans-63.3-35.2175.9-68.1178.46600112.5F527 F556 V571 Y572 L579 G580 I581 V587F527-M575 HydrophobicContact CD2-CE 3.71Å; F527-M575 HydrophobicContact CE2-CE 3.39Å; F527-M575 HydrophobicContact CZ-CE 4.22Å; F556-M575 HydrophobicContact CE2-SD 3.96Å; F556-M575 HydrophobicContact CZ-CE 4.08Å; F556-M575 HydrophobicContact CZ-SD 3.67Å; V571-M575 HydrophobicContact CG2-SD 4.18Å; V571-M575 WeakPolarHBondContact O-CG 3.15Å; V571-M575 PolarHBondContact O-N 2.87Å; Y572-M575 PolarHBondContact O-N 3.3Å; M575-L579 WeakPolarHBondContact O-CA 3.42Å; M575-L579 VanDerWaalsContact O-CB 3.29Å; M575-L579 WeakPolarHBondContact O-CB 3.27Å; M575-L579 PolarHBondContact O-N 3.15Å; M575-G580 PolarHBondContact O-N 3.47Å; M575-I581 CarbonylContact C-O 3.33Å; M575-I581 HydrophobicContact CB-CB 4.28Å; M575-I581 HydrophobicContact CE-CB 4.25Å; M575-I581 HydrophobicContact CE-CD1 3.88Å; M575-I581 HydrophobicContact CE-CG2 3.95Å; M575-I581 PolarHBondContact O-N 3.5Å; M575-V587 HydrophobicContact CE-CG2 4.15Å
576S90.3Very high82.7Confident46 Ų4668.8 Ų68.832%0.32236%0.359SS..Hα-helixtrans-63-47.7174.1179.10000111.3Y572 A573 R574 V578 G580 I581Y572-S576 WeakPolarHBondContact O-CB 3.29Å; Y572-S576 PolarHBondContact O-N 2.96Å; A573-S576 PolarHBondContact O-N 2.83Å; R574-S576 VanDerWaalsContact C-N 3.28Å; R574-S576 PolarHBondContact O-N 3.32Å; S576-V578 PolarHBondContact O-N 3.03Å; S576-G580 VanDerWaalsContact O-CA 3.24Å; S576-G580 WeakPolarHBondContact O-CA 3.05Å; S576-G580 PolarHBondContact O-N 3.15Å; S576-I581 WeakPolarHBondContact CA-O 3.49Å; S576-I581 PolarHBondContact N-O 3Å; S576-I581 VanDerWaalsContact N-O 3.1Å
577E88.2Confident84.6Confident137 Ų13759.7 Ų59.764%0.6432%0.316SS*.Hα-helixtrans-60.9-40.7179.1-72.5173.5-175.900113.3A573 R574A573-E577 WeakPolarHBondContact O-CG 3.3Å; A573-E577 PolarHBondContact O-N 3.47Å; R574-E577 IonicContact CZ-OE2 2.76Å; R574-E577 IonicContact NH1-OE2 2.75Å; R574-E577 PolarHBondContact NH1-OE2 2.97Å; R574-E577 PolarHBondContact O-N 3.35Å
578V88.6Confident86.3Confident52 Ų5250.5 Ų50.532%0.31528%0.282SS..Hα-helixtrans-94.8-36.7-170.7179.50000112.8C524 R574 S576C524-V578 HydrophobicContact CB-CB 4.46Å; C524-V578 HydrophobicContact CB-CG1 4.2Å; R574-V578 WeakPolarHBondContact O-CG2 3.32Å; R574-V578 PolarHBondContact O-N 3.22Å; R574-V578 VanDerWaalsContact O-N 3.12Å; S576-V578 PolarHBondContact O-N 3.03Å
579L89.6Confident88Confident55 Ų5547.9 Ų47.929%0.28826%0.259SS..Hα-helixtrans-118.9-11.3-171.7-62.4172.5000113.6C524 F527 Q528 M575 I581C524-L579 HydrophobicContact CB-CD1 4.47Å; F527-L579 HydrophobicContact CB-CD1 3.45Å; F527-L579 VanDerWaalsContact CB-CD1 3.45Å; F527-L579 HydrophobicContact CB-CD2 4.48Å; F527-L579 HydrophobicContact CD2-CD1 4.1Å; F527-L579 HydrophobicContact CG-CD1 4.05Å; Q528-L579 HydrophobicContact CG-CD2 3.7Å; M575-L579 WeakPolarHBondContact O-CA 3.42Å; M575-L579 VanDerWaalsContact O-CB 3.29Å; M575-L579 WeakPolarHBondContact O-CB 3.27Å; M575-L579 PolarHBondContact O-N 3.15Å; L579-I581 HydrophobicContact CB-CD1 4.06Å; L579-I581 HydrophobicContact CB-CG1 3.94Å; L579-I581 HydrophobicContact CD1-CD1 3.94Å; L579-I581 PolarHBondContact O-N 3.08Å
580G88.8Confident89Confident43 Ų4349.3 Ų49.344%0.44327%0.268SS..  trans749.9-170.900000114.2M575 S576 T582M575-G580 PolarHBondContact O-N 3.47Å; S576-G580 VanDerWaalsContact O-CA 3.24Å; S576-G580 WeakPolarHBondContact O-CA 3.05Å; S576-G580 PolarHBondContact O-N 3.15Å; G580-T582 PolarHBondContact O-N 2.93Å
581I89.3Confident89.6Confident13 Ų1344.6 Ų44.67%0.06725%0.247CC..  trans-83.1102177.6-61.3175.7000108.5M575 S576 L579 H586 V587M575-I581 CarbonylContact C-O 3.33Å; M575-I581 HydrophobicContact CB-CB 4.28Å; M575-I581 HydrophobicContact CE-CB 4.25Å; M575-I581 HydrophobicContact CE-CD1 3.88Å; M575-I581 HydrophobicContact CE-CG2 3.95Å; M575-I581 PolarHBondContact O-N 3.5Å; S576-I581 WeakPolarHBondContact CA-O 3.49Å; S576-I581 PolarHBondContact N-O 3Å; S576-I581 VanDerWaalsContact N-O 3.1Å; L579-I581 HydrophobicContact CB-CD1 4.06Å; L579-I581 HydrophobicContact CB-CG1 3.94Å; L579-I581 HydrophobicContact CD1-CD1 3.94Å; L579-I581 PolarHBondContact O-N 3.08Å; I581-H586 HydrophobicContact CB-CB 4.38Å; I581-H586 HydrophobicContact CG2-CB 3.84Å; I581-V587 HydrophobicContact CG2-CB 4.48Å; I581-V587 HydrophobicContact CG2-CG2 3.42Å; I581-V587 VanDerWaalsContact CG2-CG2 3.42Å
582T86.4Confident90Very high72 Ų7244.6 Ų44.644%0.44225%0.247SC..  trans-90.4-26-170.658.70000114.4G580 H586G580-T582 PolarHBondContact O-N 2.93Å; T582-H586 PolarHBondContact OG1-CE1 2.88Å; T582-H586 PolarHBondContact OG1-ND1 2.88Å
583D85.7Confident90.3Very high50 Ų5047 Ų4727%0.26727%0.265SS..SBendtrans-152.1-177.3-173.269.4-2.3000111.9N585 H586 V587D583-N585 VanDerWaalsContact C-N 3.28Å; D583-N585 PolarHBondContact O-N 3.49Å; D583-N585 WeakPolarHBondContact OD1-CB 3.3Å; D583-N585 PolarHBondContact OD1-N 2.96Å; D583-N585 VanDerWaalsContact OD1-N 3.14Å; D583-N585 PolarHBondContact OD2-ND2 3.34Å; D583-H586 IonicContact OD1-CE1 2.82Å; D583-H586 IonicContact OD1-CG 3.88Å; D583-H586 PolarHBondContact OD1-N 3.41Å; D583-H586 IonicContact OD1-ND1 2.77Å; D583-H586 PolarHBondContact OD1-ND1 2.85Å; D583-V587 PolarHBondContact O-N 2.73Å
584D87Confident90.7Very high38 Ų3844.6 Ų44.620%0.20324%0.244CC..Hα-helixtrans-68.1-25.8177.871.5-25.7000113.1Y572 V587 L588 K628Y572-D584 WeakPolarHBondContact OH-CB 3.32Å; D584-V587 PolarHBondContact O-N 2.93Å; D584-L588 VanDerWaalsContact O-CG 3.25Å; D584-L588 WeakPolarHBondContact O-CG 3.36Å; D584-L588 PolarHBondContact O-N 3.11Å; D584-K628 IonicContact OD1-NZ 3.35Å; D584-K628 PolarHBondContact OD1-NZ 2.86Å; D584-K628 IonicContact OD2-NZ 3.57Å; D584-K628 PolarHBondContact OD2-NZ 2.89Å
585N89.4Confident91.3Very high58 Ų5840.5 Ų40.531%0.3123%0.229SC..Hα-helixtrans-65.7-46.5176.1-57.6-57.1000111.4D583 V587 L588 E589 K628D583-N585 VanDerWaalsContact C-N 3.28Å; D583-N585 PolarHBondContact O-N 3.49Å; D583-N585 WeakPolarHBondContact OD1-CB 3.3Å; D583-N585 PolarHBondContact OD1-N 2.96Å; D583-N585 VanDerWaalsContact OD1-N 3.14Å; D583-N585 PolarHBondContact OD2-ND2 3.34Å; N585-V587 VanDerWaalsContact C-N 3.27Å; N585-V587 PolarHBondContact O-N 2.84Å; N585-L588 WeakPolarHBondContact O-CB 3.43Å; N585-L588 PolarHBondContact O-N 3.18Å; N585-L588 VanDerWaalsContact O-N 3.09Å; N585-E589 PolarHBondContact O-N 2.87Å; N585-K628 WeakPolarHBondContact OD1-CD 3.33Å
586H90Very high91.5Very high71 Ų7141.1 Ų41.133%0.32923%0.232SC..Hα-helixtrans-63.1-34.4175.6-69.694.1000112.2I581 T582 D583 E589 T590I581-H586 HydrophobicContact CB-CB 4.38Å; I581-H586 HydrophobicContact CG2-CB 3.84Å; T582-H586 PolarHBondContact OG1-CE1 2.88Å; T582-H586 PolarHBondContact OG1-ND1 2.88Å; D583-H586 IonicContact OD1-CE1 2.82Å; D583-H586 IonicContact OD1-CG 3.88Å; D583-H586 PolarHBondContact OD1-N 3.41Å; D583-H586 IonicContact OD1-ND1 2.77Å; D583-H586 PolarHBondContact OD1-ND1 2.85Å; H586-E589 PolarHBondContact O-N 3.36Å; H586-T590 PolarHBondContact O-N 3.46Å; H586-T590 PolarHBondContact O-OG1 2.88Å
587V92.2Very high91.7Very high0 Ų040 Ų400%022%0.224CC..Hα-helixtrans-62.8-45171.9173.50000110.7F556 V561 Y572 M575 I581 D583 D584 N585 E589 T590 F591F556-V587 HydrophobicContact CD1-CG1 4.21Å; F556-V587 HydrophobicContact CE1-CG1 3.91Å; F556-V587 HydrophobicContact CE1-CG2 4.14Å; V561-V587 HydrophobicContact CG2-CG1 3.92Å; Y572-V587 HydrophobicContact CE1-CG2 3.75Å; M575-V587 HydrophobicContact CE-CG2 4.15Å; I581-V587 HydrophobicContact CG2-CB 4.48Å; I581-V587 HydrophobicContact CG2-CG2 3.42Å; I581-V587 VanDerWaalsContact CG2-CG2 3.42Å; D583-V587 PolarHBondContact O-N 2.73Å; D584-V587 PolarHBondContact O-N 2.93Å; N585-V587 VanDerWaalsContact C-N 3.27Å; N585-V587 PolarHBondContact O-N 2.84Å; V587-E589 VanDerWaalsContact C-N 3.31Å; V587-E589 PolarHBondContact O-N 3.24Å; V587-T590 WeakPolarHBondContact O-CB 3.39Å; V587-T590 PolarHBondContact O-N 3.31Å; V587-T590 VanDerWaalsContact O-N 3.13Å; V587-F591 HydrophobicContact CG1-CD1 3.94Å; V587-F591 HydrophobicContact CG1-CD2 4.26Å; V587-F591 HydrophobicContact CG1-CE1 3.42Å; V587-F591 VanDerWaalsContact CG1-CE1 3.42Å; V587-F591 HydrophobicContact CG1-CE2 3.78Å; V587-F591 HydrophobicContact CG1-CG 4.35Å; V587-F591 HydrophobicContact CG1-CZ 3.36Å; V587-F591 WeakPolarHBondContact O-CD1 3.22Å; V587-F591 WeakPolarHBondContact O-CG 3.44Å; V587-F591 PolarHBondContact O-N 3.31Å
588L93.7Very high92Very high0 Ų033.4 Ų33.40%019%0.193CC..Hα-helixtrans-62.6-37.5177.6-68.9172.7000112.3V561 D584 N585 T590 F591 M592 L619 L625 K628 L629 I632V561-L588 HydrophobicContact CG1-CD2 3.67Å; V561-L588 HydrophobicContact CG1-CG 4.14Å; D584-L588 VanDerWaalsContact O-CG 3.25Å; D584-L588 WeakPolarHBondContact O-CG 3.36Å; D584-L588 PolarHBondContact O-N 3.11Å; N585-L588 WeakPolarHBondContact O-CB 3.43Å; N585-L588 PolarHBondContact O-N 3.18Å; N585-L588 VanDerWaalsContact O-N 3.09Å; L588-T590 VanDerWaalsContact C-N 3.31Å; L588-T590 PolarHBondContact O-N 3.48Å; L588-F591 HydrophobicContact CD2-CD2 4.11Å; L588-F591 PolarHBondContact O-N 3.24Å; L588-M592 WeakPolarHBondContact O-CB 3.45Å; L588-M592 VanDerWaalsContact O-CG 3.32Å; L588-M592 WeakPolarHBondContact O-CG 3.2Å; L588-M592 PolarHBondContact O-N 3.17Å; L588-L619 HydrophobicContact CD2-CD2 4.13Å; L588-L625 HydrophobicContact CD1-CD1 3.43Å; L588-L625 VanDerWaalsContact CD1-CD1 3.43Å; L588-L625 HydrophobicContact CD2-CD1 3.5Å; L588-L625 HydrophobicContact CG-CD1 4.1Å; L588-K628 HydrophobicContact CD1-CB 3.88Å; L588-K628 HydrophobicContact CD1-CD 4.05Å; L588-L629 HydrophobicContact CB-CD2 4.29Å; L588-L629 HydrophobicContact CD2-CD2 4.12Å; L588-I632 HydrophobicContact CB-CD1 3.7Å
589E94.7Very high92.3Very high90 Ų9031 Ų3142%0.42118%0.178SC..Hα-helixtrans-61.7-41.1173-70.9-179.6178.600111.9N585 H586 V587 M592 T593 I632N585-E589 PolarHBondContact O-N 2.87Å; H586-E589 PolarHBondContact O-N 3.36Å; V587-E589 VanDerWaalsContact C-N 3.31Å; V587-E589 PolarHBondContact O-N 3.24Å; E589-M592 PolarHBondContact O-N 3.17Å; E589-T593 WeakPolarHBondContact O-CB 3.43Å; E589-T593 PolarHBondContact O-N 2.91Å; E589-T593 PolarHBondContact O-OG1 3.42Å; E589-I632 HydrophobicContact CB-CG2 4.5Å; E589-I632 HydrophobicContact CG-CD1 4.06Å; E589-I632 HydrophobicContact CG-CG1 3.9Å; E589-I632 HydrophobicContact CG-CG2 3.99Å
590T93.7Very high92.4Very high42 Ų4231.6 Ų31.626%0.25818%0.179SC..Hα-helixtrans-64.2-45175.3-540000111F527 H586 V587 L588 M592 T593 K594F527-T590 HydrophobicContact CD1-CG2 3.81Å; F527-T590 HydrophobicContact CE1-CG2 3.75Å; H586-T590 PolarHBondContact O-N 3.46Å; H586-T590 PolarHBondContact O-OG1 2.88Å; V587-T590 WeakPolarHBondContact O-CB 3.39Å; V587-T590 PolarHBondContact O-N 3.31Å; V587-T590 VanDerWaalsContact O-N 3.13Å; L588-T590 VanDerWaalsContact C-N 3.31Å; L588-T590 PolarHBondContact O-N 3.48Å; T590-M592 PolarHBondContact O-N 3.2Å; T590-T593 PolarHBondContact O-N 2.98Å; T590-K594 PolarHBondContact O-N 3.36Å
591F95.7Very high92.5Very high0 Ų035.3 Ų35.30%018%0.18CC..Hα-helixtrans-59.3-48.7176.6-71.3-0.9000111.5F527 L553 F556 R557 V561 V587 L588 K594 I595 F615 L619F527-F591 HydrophobicContact CE1-CE1 4.32Å; F527-F591 HydrophobicContact CZ-CE1 4.11Å; L553-F591 HydrophobicContact CB-CE1 4.21Å; L553-F591 HydrophobicContact CD2-CD1 3.77Å; L553-F591 HydrophobicContact CD2-CE1 3.48Å; L553-F591 VanDerWaalsContact CD2-CE1 3.48Å; L553-F591 HydrophobicContact CD2-CZ 4.49Å; L553-F591 HydrophobicContact CG-CE1 4.35Å; F556-F591 AromaticContact CD1-CZ 3.98Å; F556-F591 HydrophobicContact CD1-CZ 3.98Å; R557-F591 HydrophobicContact CB-CE2 3.85Å; R557-F591 HydrophobicContact CB-CZ 4.31Å; R557-F591 HydrophobicContact CG-CE2 4.24Å; V561-F591 HydrophobicContact CG2-CE2 4.19Å; V561-F591 HydrophobicContact CG2-CZ 4.44Å; V587-F591 HydrophobicContact CG1-CD1 3.94Å; V587-F591 HydrophobicContact CG1-CD2 4.26Å; V587-F591 HydrophobicContact CG1-CE1 3.42Å; V587-F591 VanDerWaalsContact CG1-CE1 3.42Å; V587-F591 HydrophobicContact CG1-CE2 3.78Å; V587-F591 HydrophobicContact CG1-CG 4.35Å; V587-F591 HydrophobicContact CG1-CZ 3.36Å; V587-F591 WeakPolarHBondContact O-CD1 3.22Å; V587-F591 WeakPolarHBondContact O-CG 3.44Å; V587-F591 PolarHBondContact O-N 3.31Å; L588-F591 HydrophobicContact CD2-CD2 4.11Å; L588-F591 PolarHBondContact O-N 3.24Å; F591-K594 PolarHBondContact O-N 3.01Å; F591-I595 WeakPolarHBondContact O-CG1 3.47Å; F591-I595 PolarHBondContact O-N 2.87Å; F591-F615 HydrophobicContact CB-CE1 4.11Å; F591-F615 HydrophobicContact CB-CZ 4.46Å; F591-F615 HydrophobicContact CD2-CE1 4.11Å; F591-F615 AromaticContact CD2-CZ 3.62Å; F591-F615 HydrophobicContact CD2-CZ 3.62Å; F591-F615 AromaticContact CE2-CZ 3.82Å; F591-F615 HydrophobicContact CE2-CZ 3.82Å; F591-F615 HydrophobicContact CG-CE1 4.07Å; F591-F615 AromaticContact CG-CZ 3.97Å; F591-F615 HydrophobicContact CG-CZ 3.97Å; F591-F615 HydrophobicContact CZ-CZ 4.33Å; F591-L619 HydrophobicContact CD2-CD1 4.47Å; F591-L619 HydrophobicContact CD2-CD2 4.24Å
592M96.4Very high92.4Very high0 Ų035.6 Ų35.60%018%0.18CC..Hα-helixtrans-67.2-38.5-179-69.4-54.5-4600112.2L588 E589 T590 K594 I595 V596 L616 L629 I632 A634 V635 M638L588-M592 WeakPolarHBondContact O-CB 3.45Å; L588-M592 VanDerWaalsContact O-CG 3.32Å; L588-M592 WeakPolarHBondContact O-CG 3.2Å; L588-M592 PolarHBondContact O-N 3.17Å; E589-M592 PolarHBondContact O-N 3.17Å; T590-M592 PolarHBondContact O-N 3.2Å; M592-K594 VanDerWaalsContact C-N 3.32Å; M592-K594 PolarHBondContact O-N 3.47Å; M592-I595 HydrophobicContact CE-CD1 4.38Å; M592-I595 PolarHBondContact O-N 3.3Å; M592-I595 HydrophobicContact SD-CD1 3.88Å; M592-V596 WeakPolarHBondContact O-CG2 3.43Å; M592-V596 PolarHBondContact O-N 3.31Å; M592-L616 HydrophobicContact CE-CD1 3.82Å; M592-L616 HydrophobicContact SD-CD1 4.07Å; M592-L629 HydrophobicContact CG-CD2 3.81Å; M592-L629 HydrophobicContact SD-CD2 3.88Å; M592-I632 HydrophobicContact CB-CG2 4.16Å; M592-I632 HydrophobicContact CG-CD1 4.08Å; M592-I632 HydrophobicContact CG-CG2 4.43Å; M592-A634 HydrophobicContact CB-CB 3.84Å; M592-V635 HydrophobicContact CE-CG2 3.51Å; M592-V635 HydrophobicContact CG-CG2 3.93Å; M592-V635 HydrophobicContact SD-CG2 3.96Å; M592-M638 HydrophobicContact CE-SD 3.59Å; M592-M638 VanDerWaalsContact CE-SD 3.59Å
593T95Very high92.2Very high77 Ų7732.6 Ų32.647%0.47216%0.163SC..Hα-helixtrans-59.4-44.3172.7-59.70000111.2E589 T590 V596 T597E589-T593 WeakPolarHBondContact O-CB 3.43Å; E589-T593 PolarHBondContact O-N 2.91Å; E589-T593 PolarHBondContact O-OG1 3.42Å; T590-T593 PolarHBondContact O-N 2.98Å; T593-V596 PolarHBondContact O-N 2.7Å; T593-T597 WeakPolarHBondContact O-CB 3.47Å; T593-T597 PolarHBondContact O-N 3.42Å; T593-T597 PolarHBondContact O-OG1 3.48Å
594K95.5Very high91.9Very high5 Ų540.6 Ų40.62%0.02219%0.19CC..Hα-helixtrans-66.2-42177.1-174.959.9178.6-177.20112.3I530 D534 E546 L553 T590 F591 M592 V596 T597 N598I530-K594 HydrophobicContact CG2-CD 3.95Å; D534-K594 IonicContact OD1-NZ 3.41Å; D534-K594 PolarHBondContact OD1-NZ 2.93Å; D534-K594 WeakPolarHBondContact OD2-CD 3.35Å; D534-K594 IonicContact OD2-NZ 2.68Å; E546-K594 IonicContact OE1-NZ 3.35Å; E546-K594 PolarHBondContact OE1-NZ 2.82Å; E546-K594 WeakPolarHBondContact OE2-CE 3.49Å; E546-K594 IonicContact OE2-NZ 3.42Å; E546-K594 PolarHBondContact OE2-NZ 3.23Å; L553-K594 HydrophobicContact CD1-CB 4.46Å; L553-K594 HydrophobicContact CD1-CG 4.08Å; T590-K594 PolarHBondContact O-N 3.36Å; F591-K594 PolarHBondContact O-N 3.01Å; M592-K594 VanDerWaalsContact C-N 3.32Å; M592-K594 PolarHBondContact O-N 3.47Å; K594-V596 PolarHBondContact O-N 3Å; K594-T597 WeakPolarHBondContact O-CB 2.86Å; K594-T597 PolarHBondContact O-N 3.01Å; K594-N598 WeakPolarHBondContact CE-OD1 3.38Å; K594-N598 WeakPolarHBondContact O-CB 3.33Å; K594-N598 PolarHBondContact O-N 3.43Å; K594-N598 PolarHBondContact O-OD1 2.88Å
595I96.6Very high91.9Very high2 Ų239.6 Ų39.61%0.0119%0.185CC..Hα-helixtrans-56.7-50.6174.7-72.6162.5000110.4F591 M592 T597 N598 L599 T612 F615 L616 L619 M638F591-I595 WeakPolarHBondContact O-CG1 3.47Å; F591-I595 PolarHBondContact O-N 2.87Å; M592-I595 HydrophobicContact CE-CD1 4.38Å; M592-I595 PolarHBondContact O-N 3.3Å; M592-I595 HydrophobicContact SD-CD1 3.88Å; I595-T597 VanDerWaalsContact C-N 3.31Å; I595-T597 PolarHBondContact O-N 3.26Å; I595-N598 PolarHBondContact O-N 3.15Å; I595-L599 HydrophobicContact CG2-CD1 3.98Å; I595-L599 HydrophobicContact CG2-CG 4.37Å; I595-L599 VanDerWaalsContact O-CG 3.3Å; I595-L599 WeakPolarHBondContact O-CG 3.49Å; I595-L599 PolarHBondContact O-N 3.38Å; I595-T612 HydrophobicContact CB-CG2 4.19Å; I595-T612 HydrophobicContact CG1-CG2 4.13Å; I595-T612 HydrophobicContact CG2-CG2 3.95Å; I595-F615 HydrophobicContact CD1-CD1 3.83Å; I595-F615 HydrophobicContact CD1-CE1 4.14Å; I595-F615 HydrophobicContact CG1-CD1 4.08Å; I595-L616 HydrophobicContact CD1-CB 4.16Å; I595-L616 HydrophobicContact CD1-CD1 4.19Å; I595-L616 HydrophobicContact CG2-CB 4.38Å; I595-L616 HydrophobicContact CG2-CD1 4.46Å; I595-L616 HydrophobicContact CG2-CD2 4.35Å; I595-L619 HydrophobicContact CD1-CD1 3.76Å; I595-M638 HydrophobicContact CG2-CE 4.31Å; I595-M638 HydrophobicContact CG2-SD 4.5Å
596V95.8Very high91.8Very high12 Ų1240.3 Ų40.37%0.07319%0.187CC..Hα-helixtrans-60.4-42.9179171.10000111.3M592 T593 K594 L599 K600 A634 F637 M638 F647M592-V596 WeakPolarHBondContact O-CG2 3.43Å; M592-V596 PolarHBondContact O-N 3.31Å; T593-V596 PolarHBondContact O-N 2.7Å; K594-V596 PolarHBondContact O-N 3Å; V596-L599 PolarHBondContact O-N 3.36Å; V596-K600 HydrophobicContact CG1-CD 3.86Å; V596-K600 HydrophobicContact CG1-CG 4.41Å; V596-K600 WeakPolarHBondContact O-CB 3.28Å; V596-K600 VanDerWaalsContact O-CG 3.31Å; V596-K600 WeakPolarHBondContact O-CG 3.32Å; V596-K600 PolarHBondContact O-N 3.44Å; V596-A634 HydrophobicContact CG2-CB 4.15Å; V596-F637 HydrophobicContact CG1-CD1 4.24Å; V596-F637 HydrophobicContact CG1-CE1 4.18Å; V596-M638 HydrophobicContact CG2-CG 3.65Å; V596-M638 HydrophobicContact CG2-SD 3.58Å; V596-M638 VanDerWaalsContact CG2-SD 3.58Å; V596-F647 HydrophobicContact CG1-CE1 4.48Å
597T94.2Very high91.8Very high22 Ų2239.5 Ų39.514%0.13519%0.188CC..Hα-helixtrans-59.9-46.9177-59.80000110.9L537 T593 K594 I595 L599 K600 Y601L537-T597 HydrophobicContact CD1-CG2 3.37Å; T593-T597 WeakPolarHBondContact O-CB 3.47Å; T593-T597 PolarHBondContact O-N 3.42Å; T593-T597 PolarHBondContact O-OG1 3.48Å; K594-T597 WeakPolarHBondContact O-CB 2.86Å; K594-T597 PolarHBondContact O-N 3.01Å; I595-T597 VanDerWaalsContact C-N 3.31Å; I595-T597 PolarHBondContact O-N 3.26Å; T597-L599 PolarHBondContact O-N 2.85Å; T597-K600 PolarHBondContact O-N 2.96Å; T597-Y601 HydrophobicContact CG2-CD2 3.8Å; T597-Y601 HydrophobicContact CG2-CE2 4.18Å; T597-Y601 VanDerWaalsContact O-CD2 3.27Å; T597-Y601 WeakPolarHBondContact O-CD2 3.36Å; T597-Y601 PolarHBondContact O-N 3.27Å
598N94.2Very high91.9Very high0 Ų039.5 Ų39.50%019%0.188CC..Hα-helixtrans-62.7-46.8178.3-75.711.2000111.8E546 K594 I595 K600 W602 V608 T612E546-N598 PolarHBondContact OE2-ND2 3.48Å; E546-N598 PolarHBondContact OE2-OD1 2.73Å; K594-N598 WeakPolarHBondContact CE-OD1 3.38Å; K594-N598 WeakPolarHBondContact O-CB 3.33Å; K594-N598 PolarHBondContact O-N 3.43Å; K594-N598 PolarHBondContact O-OD1 2.88Å; I595-N598 PolarHBondContact O-N 3.15Å; N598-K600 VanDerWaalsContact C-N 3.25Å; N598-K600 PolarHBondContact O-N 3.09Å; N598-W602 WeakPolarHBondContact O-CA 3.44Å; N598-W602 VanDerWaalsContact O-CB 3.23Å; N598-W602 WeakPolarHBondContact O-CB 3.44Å; N598-W602 PolarHBondContact O-N 3.03Å; N598-V608 HydrophobicContact CB-CG1 4.45Å; N598-T612 HydrophobicContact CB-CG2 3.88Å; N598-T612 PolarHBondContact ND2-OG1 3.32Å
599L93.8Very high91.9Very high0 Ų039.7 Ų39.70%019%0.189CC..Hα-helixtrans-64.8-28.3178.6-62.8-179000113.3I595 V596 T597 I609 T612 L613 M638 F647 P648 F649 F667I595-L599 HydrophobicContact CG2-CD1 3.98Å; I595-L599 HydrophobicContact CG2-CG 4.37Å; I595-L599 VanDerWaalsContact O-CG 3.3Å; I595-L599 WeakPolarHBondContact O-CG 3.49Å; I595-L599 PolarHBondContact O-N 3.38Å; V596-L599 PolarHBondContact O-N 3.36Å; T597-L599 PolarHBondContact O-N 2.85Å; L599-I609 HydrophobicContact CD2-CD1 3.77Å; L599-I609 HydrophobicContact CD2-CG2 4.44Å; L599-T612 HydrophobicContact CD2-CG2 3.99Å; L599-T612 HydrophobicContact CG-CG2 4.14Å; L599-L613 HydrophobicContact CD1-CD2 4.11Å; L599-L613 HydrophobicContact CD2-CD2 3.74Å; L599-L613 HydrophobicContact CD2-CG 3.98Å; L599-M638 HydrophobicContact CD1-CE 3.84Å; L599-F647 HydrophobicContact CB-CD1 3.54Å; L599-F647 HydrophobicContact CB-CE1 3.91Å; L599-F647 HydrophobicContact CB-CG 4.39Å; L599-F647 HydrophobicContact CD1-CE1 4.49Å; L599-P648 WeakPolarHBondContact O-CD 3.3Å; L599-F649 HydrophobicContact CB-CE1 4.38Å; L599-F649 HydrophobicContact CD2-CD1 4.37Å; L599-F649 HydrophobicContact CD2-CE1 3.89Å; L599-F649 HydrophobicContact CD2-CZ 4.49Å; L599-F649 HydrophobicContact CG-CE1 4.48Å; L599-F667 HydrophobicContact CD1-CD2 4.16Å; L599-F667 HydrophobicContact CD1-CE2 3.81Å
600K92.2Very high91.9Very high69 Ų6938 Ų3830%0.319%0.187SC..Hα-helixtrans-76.4-51.1176.9-80.8177.1177.6-179.10112.7V596 T597 N598 H646 F647 P648V596-K600 HydrophobicContact CG1-CD 3.86Å; V596-K600 HydrophobicContact CG1-CG 4.41Å; V596-K600 WeakPolarHBondContact O-CB 3.28Å; V596-K600 VanDerWaalsContact O-CG 3.31Å; V596-K600 WeakPolarHBondContact O-CG 3.32Å; V596-K600 PolarHBondContact O-N 3.44Å; T597-K600 PolarHBondContact O-N 2.96Å; N598-K600 VanDerWaalsContact C-N 3.25Å; N598-K600 PolarHBondContact O-N 3.09Å; K600-H646 VanDerWaalsContact CG-O 3.28Å; K600-H646 WeakPolarHBondContact CG-O 3.46Å; K600-F647 HydrophobicContact CG-CD1 4.3Å; K600-F647 HydrophobicContact CG-CE1 4.22Å; K600-P648 WeakPolarHBondContact O-CD 3.44Å; K600-P648 WeakPolarHBondContact O-CG 3.26Å
601Y90.6Very high91.9Very high121 Ų12141.7 Ų41.748%0.47520%0.196SC..Hα-helixtrans-97.1-23.3-168.6-63.5-73.3000113.8L537 P538 T597L537-Y601 HydrophobicContact CB-CD1 4.39Å; L537-Y601 HydrophobicContact CB-CD2 4.24Å; L537-Y601 HydrophobicContact CB-CE2 4.47Å; L537-Y601 HydrophobicContact CB-CG 4.2Å; L537-Y601 HydrophobicContact CD1-CD2 3.84Å; L537-Y601 HydrophobicContact CD1-CG 4.21Å; P538-Y601 HydrophobicContact CB-CD1 4.2Å; T597-Y601 HydrophobicContact CG2-CD2 3.8Å; T597-Y601 HydrophobicContact CG2-CE2 4.18Å; T597-Y601 VanDerWaalsContact O-CD2 3.27Å; T597-Y601 WeakPolarHBondContact O-CD2 3.36Å; T597-Y601 PolarHBondContact O-N 3.27Å
602W88.4Confident92Very high19 Ų1941.7 Ų41.77%0.07220%0.196CC..  trans-102.818.4-177.5-66.487.8000113.8T541 N542 E543 E546 N598 R604 C605 V608 I609T541-W602 VanDerWaalsContact CB-CH2 3.43Å; T541-W602 HydrophobicContact CG2-CH2 4.09Å; T541-W602 HydrophobicContact CG2-CZ2 3.73Å; N542-W602 VanDerWaalsContact C-CH2 3.46Å; E543-W602 HydrophobicContact CB-CH2 4.34Å; E543-W602 HydrophobicContact CB-CZ3 4.03Å; E546-W602 HydrophobicContact CB-CZ2 4.46Å; E546-W602 HydrophobicContact CG-CH2 4.21Å; E546-W602 HydrophobicContact CG-CZ2 3.46Å; E546-W602 VanDerWaalsContact CG-CZ2 3.46Å; N598-W602 WeakPolarHBondContact O-CA 3.44Å; N598-W602 VanDerWaalsContact O-CB 3.23Å; N598-W602 WeakPolarHBondContact O-CB 3.44Å; N598-W602 PolarHBondContact O-N 3.03Å; W602-R604 PolarHBondContact O-N 3.34Å; W602-C605 HydrophobicContact CE3-CB 3.77Å; W602-C605 HydrophobicContact CZ3-CB 4.44Å; W602-C605 PolarHBondContact O-N 3.08Å; W602-V608 HydrophobicContact CB-CB 4.3Å; W602-V608 HydrophobicContact CB-CG1 3.78Å; W602-V608 HydrophobicContact CD2-CG1 4.23Å; W602-V608 HydrophobicContact CE3-CG2 4.18Å; W602-V608 HydrophobicContact CG-CG1 3.87Å; W602-I609 HydrophobicContact CB-CD1 4.48Å; W602-I609 VanDerWaalsContact O-CG1 3.27Å; W602-I609 WeakPolarHBondContact O-CG1 3.36Å
603G81.6Confident92Very high8 Ų841.8 Ų41.88%0.08220%0.197CC..THydrogen-bonded Turntrans-58.9-9-175.200000116.5
604R80Confident92Very high219 Ų21942.2 Ų42.283%0.82619%0.193SC*.THydrogen-bonded Turntrans-102.8-6.1175.2-62.6-176.9-178.6179.21.2114.3W602 Y656W602-R604 PolarHBondContact O-N 3.34Å; R604-Y656 HydrophobicContact CG-CE1 4.24Å
605C87.4Confident92.1Very high16 Ų1642.3 Ų42.311%0.10819%0.194CC..  trans-105.197.7-179.4179.20000109.3W602 V608 I609W602-C605 HydrophobicContact CE3-CB 3.77Å; W602-C605 HydrophobicContact CZ3-CB 4.44Å; W602-C605 PolarHBondContact O-N 3.08Å; C605-V608 HydrophobicContact CB-CB 4.33Å; C605-V608 HydrophobicContact CB-CG2 4.48Å; C605-V608 PolarHBondContact O-N 3Å; C605-V608 VanDerWaalsContact SG-CG2 3.51Å; C605-I609 WeakPolarHBondContact O-CG1 3.46Å; C605-I609 PolarHBondContact O-N 2.65Å; C605-I609 VanDerWaalsContact O-N 3.08Å
606E87.4Confident92.1Very high73 Ų7342.2 Ų42.234%0.34119%0.193SC..Hα-helixtrans-55.9-44.4-178.4-171.7-133.4-168.900112.9V608 I609 S610 R662E606-V608 PolarHBondContact O-N 3.39Å; E606-I609 PolarHBondContact O-N 3.39Å; E606-S610 WeakPolarHBondContact O-CB 3.35Å; E606-S610 PolarHBondContact O-N 2.98Å; E606-R662 IonicContact OE1-NH2 2.9Å
607P90Very high92.1Very high54 Ų5442.4 Ų42.435%0.35120%0.195SC..Hα-helixtrans-58.2-46.8-179.9-27.336.9000113.3E543 L547 S610 R611E543-P607 WeakPolarHBondContact OE1-CG 3.31Å; L547-P607 HydrophobicContact CD1-CB 4.46Å; L547-P607 HydrophobicContact CD2-CB 4.35Å; P607-S610 PolarHBondContact O-N 3.18Å; P607-R611 WeakPolarHBondContact O-CB 3.47Å; P607-R611 WeakPolarHBondContact O-CG 3.37Å; P607-R611 PolarHBondContact O-N 2.71Å
608V93.1Very high92.1Very high0 Ų043.8 Ų43.80%020%0.201CC..Hα-helixtrans-66.5-44.2179.3174.20000110.9E543 E546 L547 L550 N598 W602 C605 E606 T612E543-V608 HydrophobicContact CG-CG2 3.97Å; E546-V608 HydrophobicContact CB-CG1 4.47Å; E546-V608 HydrophobicContact CB-CG2 4.18Å; L547-V608 HydrophobicContact CD2-CG2 4.07Å; L547-V608 HydrophobicContact CG-CG2 4.17Å; L550-V608 HydrophobicContact CD1-CG1 4.4Å; N598-V608 HydrophobicContact CB-CG1 4.45Å; W602-V608 HydrophobicContact CB-CB 4.3Å; W602-V608 HydrophobicContact CB-CG1 3.78Å; W602-V608 HydrophobicContact CD2-CG1 4.23Å; W602-V608 HydrophobicContact CE3-CG2 4.18Å; W602-V608 HydrophobicContact CG-CG1 3.87Å; C605-V608 HydrophobicContact CB-CB 4.33Å; C605-V608 HydrophobicContact CB-CG2 4.48Å; C605-V608 PolarHBondContact O-N 3Å; C605-V608 VanDerWaalsContact SG-CG2 3.51Å; E606-V608 PolarHBondContact O-N 3.39Å; V608-T612 WeakPolarHBondContact O-CB 3.1Å; V608-T612 PolarHBondContact O-N 3.41Å; V608-T612 PolarHBondContact O-OG1 3.07Å
609I93.6Very high92.1Very high4 Ų443.8 Ų43.82%0.02120%0.201CC..Hα-helixtrans-63.7-46.7177.8-66.5-63.9000110.9L599 W602 C605 E606 R611 T612 L613 F649 C663L599-I609 HydrophobicContact CD2-CD1 3.77Å; L599-I609 HydrophobicContact CD2-CG2 4.44Å; W602-I609 HydrophobicContact CB-CD1 4.48Å; W602-I609 VanDerWaalsContact O-CG1 3.27Å; W602-I609 WeakPolarHBondContact O-CG1 3.36Å; C605-I609 WeakPolarHBondContact O-CG1 3.46Å; C605-I609 PolarHBondContact O-N 2.65Å; C605-I609 VanDerWaalsContact O-N 3.08Å; E606-I609 PolarHBondContact O-N 3.39Å; I609-R611 PolarHBondContact O-N 3.02Å; I609-T612 PolarHBondContact O-N 3.26Å; I609-L613 HydrophobicContact CG2-CD1 3.64Å; I609-L613 HydrophobicContact CG2-CG 4.23Å; I609-L613 WeakPolarHBondContact O-CB 3.3Å; I609-L613 WeakPolarHBondContact O-CG 3.35Å; I609-L613 PolarHBondContact O-N 3.21Å; I609-F649 HydrophobicContact CD1-CD1 4.35Å; I609-F649 HydrophobicContact CG2-CB 4.39Å; I609-F649 HydrophobicContact CG2-CD1 4.42Å; I609-F649 HydrophobicContact CG2-CD2 4.09Å; I609-F649 HydrophobicContact CG2-CG 4.04Å; I609-C663 HydrophobicContact CG2-CB 4.07Å
610S93.9Very high92.1Very high54 Ų5443.8 Ų43.838%0.37820%0.202SC..Hα-helixtrans-58.3-48.1179.3-176.70000111.4E606 P607 L613 Q614E606-S610 WeakPolarHBondContact O-CB 3.35Å; E606-S610 PolarHBondContact O-N 2.98Å; P607-S610 PolarHBondContact O-N 3.18Å; S610-L613 PolarHBondContact O-N 2.96Å; S610-Q614 WeakPolarHBondContact O-CB 3.42Å; S610-Q614 PolarHBondContact O-N 3.02Å
611R94.3Very high92Very high121 Ų12145 Ų4546%0.45722%0.215SC..Hα-helixtrans-68.7-40177.7-69.6-64.4-174.2161.70.8113.1L547 L550 P607 I609 L613 Q614 F615L547-R611 HydrophobicContact CD2-CB 4.35Å; L547-R611 HydrophobicContact CD2-CG 4.04Å; L550-R611 HydrophobicContact CD1-CB 3.79Å; P607-R611 WeakPolarHBondContact O-CB 3.47Å; P607-R611 WeakPolarHBondContact O-CG 3.37Å; P607-R611 PolarHBondContact O-N 2.71Å; I609-R611 PolarHBondContact O-N 3.02Å; R611-L613 VanDerWaalsContact C-N 3.33Å; R611-L613 PolarHBondContact O-N 2.87Å; R611-Q614 PolarHBondContact O-N 3.31Å; R611-F615 WeakPolarHBondContact O-CB 3.41Å; R611-F615 PolarHBondContact O-N 3.03Å
612T97.3Very high91.8Very high0 Ų040.2 Ų40.20%020%0.202CC..Hα-helixtrans-60.4-44175.3-61.20000110.9L550 I595 N598 L599 V608 I609 F615 L616L550-T612 WeakPolarHBondContact CD1-OG1 3.45Å; I595-T612 HydrophobicContact CB-CG2 4.19Å; I595-T612 HydrophobicContact CG1-CG2 4.13Å; I595-T612 HydrophobicContact CG2-CG2 3.95Å; N598-T612 HydrophobicContact CB-CG2 3.88Å; N598-T612 PolarHBondContact ND2-OG1 3.32Å; L599-T612 HydrophobicContact CD2-CG2 3.99Å; L599-T612 HydrophobicContact CG-CG2 4.14Å; V608-T612 WeakPolarHBondContact O-CB 3.1Å; V608-T612 PolarHBondContact O-N 3.41Å; V608-T612 PolarHBondContact O-OG1 3.07Å; I609-T612 PolarHBondContact O-N 3.26Å; T612-F615 PolarHBondContact O-N 3.08Å; T612-L616 PolarHBondContact O-N 3.24Å
613L96.9Very high91.7Very high1 Ų146.2 Ų46.21%0.00523%0.226CC..Hα-helixtrans-72.5-33.7179.1-68.9174.9000112.8L599 I609 S610 R611 F615 L616 S617 F649 C663 T666 F667L599-L613 HydrophobicContact CD1-CD2 4.11Å; L599-L613 HydrophobicContact CD2-CD2 3.74Å; L599-L613 HydrophobicContact CD2-CG 3.98Å; I609-L613 HydrophobicContact CG2-CD1 3.64Å; I609-L613 HydrophobicContact CG2-CG 4.23Å; I609-L613 WeakPolarHBondContact O-CB 3.3Å; I609-L613 WeakPolarHBondContact O-CG 3.35Å; I609-L613 PolarHBondContact O-N 3.21Å; S610-L613 PolarHBondContact O-N 2.96Å; R611-L613 VanDerWaalsContact C-N 3.33Å; R611-L613 PolarHBondContact O-N 2.87Å; L613-F615 VanDerWaalsContact C-N 3.35Å; L613-L616 HydrophobicContact CD2-CD2 4.3Å; L613-L616 PolarHBondContact O-N 3.35Å; L613-S617 VanDerWaalsContact O-CB 3.31Å; L613-S617 WeakPolarHBondContact O-CB 3.25Å; L613-S617 PolarHBondContact O-N 3.04Å; L613-F649 HydrophobicContact CD1-CE2 4.04Å; L613-F649 HydrophobicContact CD1-CZ 4.17Å; L613-F649 HydrophobicContact CD2-CZ 4.43Å; L613-C663 HydrophobicContact CD1-CB 3.52Å; L613-C663 WeakPolarHBondContact CD1-O 3.33Å; L613-T666 HydrophobicContact CB-CG2 4.1Å; L613-F667 HydrophobicContact CD1-CB 4.18Å; L613-F667 HydrophobicContact CD2-CB 3.71Å; L613-F667 HydrophobicContact CD2-CD2 3.52Å; L613-F667 HydrophobicContact CD2-CG 4.06Å
614Q96.1Very high92Very high86 Ų8650 Ų5040%0.40224%0.243SC..Hα-helixtrans-62.4-45.4171.1-173.559.350.700110.5S610 R611 L616 S617 D618S610-Q614 WeakPolarHBondContact O-CB 3.42Å; S610-Q614 PolarHBondContact O-N 3.02Å; R611-Q614 PolarHBondContact O-N 3.31Å; Q614-L616 PolarHBondContact O-N 3.31Å; Q614-S617 WeakPolarHBondContact O-CA 3.22Å; Q614-S617 WeakPolarHBondContact O-CB 3.37Å; Q614-S617 PolarHBondContact O-N 3.34Å; Q614-S617 VanDerWaalsContact O-N 3.11Å; Q614-D618 PolarHBondContact NE2-OD1 3.34Å; Q614-D618 VanDerWaalsContact O-CG 3.24Å; Q614-D618 PolarHBondContact O-N 3.09Å
615F96.7Very high92.4Very high7 Ų740.2 Ų40.23%0.03121%0.207CC..Hα-helixtrans-61.2-45176.5-176.7-121.6000112.3L553 D554 R557 F591 I595 R611 T612 L613 S617 D618 L619L553-F615 HydrophobicContact CB-CE1 4.06Å; L553-F615 HydrophobicContact CB-CE2 4.35Å; L553-F615 HydrophobicContact CB-CZ 3.78Å; L553-F615 HydrophobicContact CD1-CE1 4.41Å; D554-F615 HydrophobicContact CB-CD2 3.99Å; D554-F615 HydrophobicContact CB-CE2 4.11Å; R557-F615 HydrophobicContact CB-CE2 4.09Å; R557-F615 HydrophobicContact CG-CE2 4.45Å; F591-F615 HydrophobicContact CB-CE1 4.11Å; F591-F615 HydrophobicContact CB-CZ 4.46Å; F591-F615 HydrophobicContact CD2-CE1 4.11Å; F591-F615 AromaticContact CD2-CZ 3.62Å; F591-F615 HydrophobicContact CD2-CZ 3.62Å; F591-F615 AromaticContact CE2-CZ 3.82Å; F591-F615 HydrophobicContact CE2-CZ 3.82Å; F591-F615 HydrophobicContact CG-CE1 4.07Å; F591-F615 AromaticContact CG-CZ 3.97Å; F591-F615 HydrophobicContact CG-CZ 3.97Å; F591-F615 HydrophobicContact CZ-CZ 4.33Å; I595-F615 HydrophobicContact CD1-CD1 3.83Å; I595-F615 HydrophobicContact CD1-CE1 4.14Å; I595-F615 HydrophobicContact CG1-CD1 4.08Å; R611-F615 WeakPolarHBondContact O-CB 3.41Å; R611-F615 PolarHBondContact O-N 3.03Å; T612-F615 PolarHBondContact O-N 3.08Å; L613-F615 VanDerWaalsContact C-N 3.35Å; F615-S617 VanDerWaalsContact C-N 3.31Å; F615-S617 PolarHBondContact O-N 2.93Å; F615-D618 PolarHBondContact O-N 3.2Å; F615-L619 HydrophobicContact CD1-CD1 4.05Å; F615-L619 HydrophobicContact CE1-CD1 3.77Å; F615-L619 HydrophobicContact CE2-CD1 4.44Å; F615-L619 HydrophobicContact CE2-CG 4.44Å; F615-L619 HydrophobicContact CZ-CD1 3.98Å; F615-L619 HydrophobicContact CZ-CG 4.39Å; F615-L619 WeakPolarHBondContact O-CG 3.43Å; F615-L619 PolarHBondContact O-N 3.33Å
616L97.1Very high92.6Very high1 Ų140.2 Ų40.21%0.00521%0.206CC..Hα-helixtrans-59.3-42.3171.7177.564.2000111.9M592 I595 T612 L613 Q614 L619 S620 M638 F667 A670 L674M592-L616 HydrophobicContact CE-CD1 3.82Å; M592-L616 HydrophobicContact SD-CD1 4.07Å; I595-L616 HydrophobicContact CD1-CB 4.16Å; I595-L616 HydrophobicContact CD1-CD1 4.19Å; I595-L616 HydrophobicContact CG2-CB 4.38Å; I595-L616 HydrophobicContact CG2-CD1 4.46Å; I595-L616 HydrophobicContact CG2-CD2 4.35Å; T612-L616 PolarHBondContact O-N 3.24Å; L613-L616 HydrophobicContact CD2-CD2 4.3Å; L613-L616 PolarHBondContact O-N 3.35Å; Q614-L616 PolarHBondContact O-N 3.31Å; L616-L619 PolarHBondContact O-N 3.17Å; L616-S620 WeakPolarHBondContact O-CB 3.27Å; L616-S620 PolarHBondContact O-N 2.87Å; L616-M638 HydrophobicContact CD2-CE 3.72Å; L616-F667 HydrophobicContact CD2-CD2 4.39Å; L616-A670 HydrophobicContact CD2-CB 4.02Å; L616-A670 HydrophobicContact CG-CB 3.8Å; L616-L674 HydrophobicContact CD1-CD1 4.39Å
617S95.5Very high92.8Very high15 Ų1541.3 Ų41.311%0.10521%0.21CC..Hα-helixtrans-61.8-44.2177.7-158.30000111.2L613 Q614 F615 L619 S620 V621 R673L613-S617 VanDerWaalsContact O-CB 3.31Å; L613-S617 WeakPolarHBondContact O-CB 3.25Å; L613-S617 PolarHBondContact O-N 3.04Å; Q614-S617 WeakPolarHBondContact O-CA 3.22Å; Q614-S617 WeakPolarHBondContact O-CB 3.37Å; Q614-S617 PolarHBondContact O-N 3.34Å; Q614-S617 VanDerWaalsContact O-N 3.11Å; F615-S617 VanDerWaalsContact C-N 3.31Å; F615-S617 PolarHBondContact O-N 2.93Å; S617-L619 PolarHBondContact O-N 3.35Å; S617-S620 PolarHBondContact O-N 3.21Å; S617-S620 PolarHBondContact O-OG 3.3Å; S617-V621 WeakPolarHBondContact O-CG2 3.32Å; S617-R673 PolarHBondContact OG-NH1 3.08Å
618D94Very high92.8Very high51 Ų5141.6 Ų41.627%0.27321%0.205SC..Hα-helixtrans-65.1-39.4179.2-65.5-18.6000111.6Q614 F615 S620 V621Q614-D618 PolarHBondContact NE2-OD1 3.34Å; Q614-D618 VanDerWaalsContact O-CG 3.24Å; Q614-D618 PolarHBondContact O-N 3.09Å; F615-D618 PolarHBondContact O-N 3.2Å; D618-S620 VanDerWaalsContact C-N 3.26Å; D618-S620 PolarHBondContact O-N 2.85Å; D618-V621 PolarHBondContact O-N 3.2Å
619L93.8Very high92.9Very high0 Ų041.6 Ų41.60%021%0.206CC..Hα-helixtrans-62.7-31.3172-71.5170.7000112.4R557 L588 F591 I595 F615 L616 S617 V621 L625 L629R557-L619 HydrophobicContact CG-CD2 4.01Å; L588-L619 HydrophobicContact CD2-CD2 4.13Å; F591-L619 HydrophobicContact CD2-CD1 4.47Å; F591-L619 HydrophobicContact CD2-CD2 4.24Å; I595-L619 HydrophobicContact CD1-CD1 3.76Å; F615-L619 HydrophobicContact CD1-CD1 4.05Å; F615-L619 HydrophobicContact CE1-CD1 3.77Å; F615-L619 HydrophobicContact CE2-CD1 4.44Å; F615-L619 HydrophobicContact CE2-CG 4.44Å; F615-L619 HydrophobicContact CZ-CD1 3.98Å; F615-L619 HydrophobicContact CZ-CG 4.39Å; F615-L619 WeakPolarHBondContact O-CG 3.43Å; F615-L619 PolarHBondContact O-N 3.33Å; L616-L619 PolarHBondContact O-N 3.17Å; S617-L619 PolarHBondContact O-N 3.35Å; L619-V621 PolarHBondContact O-N 3.43Å; L619-L625 HydrophobicContact CB-CD2 4.34Å; L619-L625 HydrophobicContact CD2-CD2 3.85Å; L619-L625 WeakPolarHBondContact O-CD2 3.4Å; L619-L625 WeakPolarHBondContact O-CG 3.44Å; L619-L629 HydrophobicContact CB-CD1 4.05Å; L619-L629 WeakPolarHBondContact O-CD1 3.47Å
620S93.3Very high92.9Very high1 Ų142.1 Ų42.11%0.00721%0.209CC..THydrogen-bonded Turntrans-81.6-3-177.776.90000115.4L616 S617 D618 L626 R673L616-S620 WeakPolarHBondContact O-CB 3.27Å; L616-S620 PolarHBondContact O-N 2.87Å; S617-S620 PolarHBondContact O-N 3.21Å; S617-S620 PolarHBondContact O-OG 3.3Å; D618-S620 VanDerWaalsContact C-N 3.26Å; D618-S620 PolarHBondContact O-N 2.85Å; S620-L626 WeakPolarHBondContact O-CD1 3.42Å; S620-L626 WeakPolarHBondContact O-CD2 3.44Å; S620-L626 WeakPolarHBondContact O-CG 3.26Å; S620-R673 VanDerWaalsContact OG-CD 3.32Å; S620-R673 WeakPolarHBondContact OG-CD 3.32Å; S620-R673 PolarHBondContact OG-NH1 3.47Å
621V90.8Very high92.9Very high95 Ų9547.2 Ų47.258%0.57622%0.224SC*.SBendtrans-83.4-38.4-174.81790000112.6S617 D618 L619S617-V621 WeakPolarHBondContact O-CG2 3.32Å; D618-V621 PolarHBondContact O-N 3.2Å; L619-V621 PolarHBondContact O-N 3.43Å
622G86.6Confident93Very high20 Ų2041.9 Ų41.921%0.20621%0.205CC..  trans-82.8128.7-173.500000113I624 L625 L626G622-I624 PolarHBondContact O-N 3.18Å; G622-L625 PolarHBondContact O-N 3.42Å; G622-L626 WeakPolarHBondContact O-CB 3.39Å; G622-L626 VanDerWaalsContact O-CG 3.3Å; G622-L626 WeakPolarHBondContact O-CG 3.47Å; G622-L626 PolarHBondContact O-N 3.04Å
623Y86Confident92.9Very high144 Ų14447.6 Ų47.657%0.56524%0.235SC*.Hα-helixtrans-64.2-41.4-175.5179.4-105.3000113.9L626 K627Y623-L626 PolarHBondContact O-N 3.1Å; Y623-K627 HydrophobicContact CE1-CD 4.12Å; Y623-K627 VanDerWaalsContact CE1-CE 3.49Å; Y623-K627 PolarHBondContact O-N 2.68Å; Y623-K627 WeakPolarHBondContact OH-CE 3.34Å; Y623-K627 PolarHBondContact OH-NZ 2.77Å
624I87.4Confident92.8Very high87 Ų8748.3 Ų48.345%0.44624%0.241SC..Hα-helixtrans-66.8-44.4178.9-62.3173000109.7D563 G622 K627 K628D563-I624 HydrophobicContact CB-CD1 4.05Å; D563-I624 WeakPolarHBondContact OD1-CB 3.43Å; G622-I624 PolarHBondContact O-N 3.18Å; I624-K627 PolarHBondContact O-N 2.95Å; I624-K628 PolarHBondContact O-N 2.73Å
625L89.1Confident92.8Very high15 Ų1544.2 Ų44.28%0.07922%0.222CC..Hα-helixtrans-60.6-45176.8-178.157.2000111.9V561 L588 L619 G622 K627 K628 L629V561-L625 HydrophobicContact CG1-CD1 4.43Å; L588-L625 HydrophobicContact CD1-CD1 3.43Å; L588-L625 VanDerWaalsContact CD1-CD1 3.43Å; L588-L625 HydrophobicContact CD2-CD1 3.5Å; L588-L625 HydrophobicContact CG-CD1 4.1Å; L619-L625 HydrophobicContact CB-CD2 4.34Å; L619-L625 HydrophobicContact CD2-CD2 3.85Å; L619-L625 WeakPolarHBondContact O-CD2 3.4Å; L619-L625 WeakPolarHBondContact O-CG 3.44Å; G622-L625 PolarHBondContact O-N 3.42Å; L625-K627 VanDerWaalsContact C-N 3.32Å; L625-K627 PolarHBondContact O-N 3.49Å; L625-K628 WeakPolarHBondContact O-CB 3.46Å; L625-K628 PolarHBondContact O-N 3.23Å; L625-L629 HydrophobicContact CD1-CD1 4.44Å; L625-L629 HydrophobicContact CD1-CG 4.27Å; L625-L629 HydrophobicContact CG-CD1 3.99Å; L625-L629 HydrophobicContact CG-CG 4.3Å; L625-L629 VanDerWaalsContact O-CG 3.32Å; L625-L629 WeakPolarHBondContact O-CG 3.39Å; L625-L629 PolarHBondContact O-N 2.9Å
626L90.8Very high92.7Very high15 Ų1548 Ų488%0.07924%0.239CC..Hα-helixtrans-53.6-45.7174.3-83.1176000112.5S620 G622 Y623 K628 L629 V630 R673 L674 V677S620-L626 WeakPolarHBondContact O-CD1 3.42Å; S620-L626 WeakPolarHBondContact O-CD2 3.44Å; S620-L626 WeakPolarHBondContact O-CG 3.26Å; G622-L626 WeakPolarHBondContact O-CB 3.39Å; G622-L626 VanDerWaalsContact O-CG 3.3Å; G622-L626 WeakPolarHBondContact O-CG 3.47Å; G622-L626 PolarHBondContact O-N 3.04Å; Y623-L626 PolarHBondContact O-N 3.1Å; L626-K628 PolarHBondContact O-N 2.9Å; L626-L629 PolarHBondContact O-N 3.14Å; L626-V630 WeakPolarHBondContact O-CG2 3.49Å; L626-V630 PolarHBondContact O-N 2.5Å; L626-R673 HydrophobicContact CD2-CB 4.47Å; L626-L674 HydrophobicContact CD2-CD2 3.53Å; L626-L674 HydrophobicContact CD2-CG 4.02Å; L626-V677 HydrophobicContact CB-CG2 3.71Å; L626-V677 HydrophobicContact CD1-CG2 4.24Å; L626-V677 HydrophobicContact CD2-CG2 4.3Å; L626-V677 HydrophobicContact CG-CG2 4.32Å
627K91.6Very high92.7Very high97 Ų9750.6 Ų50.642%0.42225%0.25SS..Hα-helixtrans-61.2-31.1176.5-78-172.1170.71760114Y623 I624 L625 V677Y623-K627 HydrophobicContact CE1-CD 4.12Å; Y623-K627 VanDerWaalsContact CE1-CE 3.49Å; Y623-K627 PolarHBondContact O-N 2.68Å; Y623-K627 WeakPolarHBondContact OH-CE 3.34Å; Y623-K627 PolarHBondContact OH-NZ 2.77Å; I624-K627 PolarHBondContact O-N 2.95Å; L625-K627 VanDerWaalsContact C-N 3.32Å; L625-K627 PolarHBondContact O-N 3.49Å; K627-V677 HydrophobicContact CG-CG1 4.03Å
628K91.8Very high92.7Very high59 Ų5949.9 Ų49.926%0.25725%0.245SC..Hα-helixtrans-74.6-47.1174.2-66.1-177.9170.9-157.50110.1D584 N585 L588 I624 L625 L626 V630 K631D584-K628 IonicContact OD1-NZ 3.35Å; D584-K628 PolarHBondContact OD1-NZ 2.86Å; D584-K628 IonicContact OD2-NZ 3.57Å; D584-K628 PolarHBondContact OD2-NZ 2.89Å; N585-K628 WeakPolarHBondContact OD1-CD 3.33Å; L588-K628 HydrophobicContact CD1-CB 3.88Å; L588-K628 HydrophobicContact CD1-CD 4.05Å; I624-K628 PolarHBondContact O-N 2.73Å; L625-K628 WeakPolarHBondContact O-CB 3.46Å; L625-K628 PolarHBondContact O-N 3.23Å; L626-K628 PolarHBondContact O-N 2.9Å; K628-V630 PolarHBondContact O-N 3.38Å; K628-K631 PolarHBondContact O-N 3.46Å
629L94.6Very high92.7Very high1 Ų148.6 Ų48.61%0.00524%0.238CC..Hα-helixtrans-58.6-43.5-177.6-71.1174.1000113L588 M592 L619 L625 L626 K631 I632 V635 L674L588-L629 HydrophobicContact CB-CD2 4.29Å; L588-L629 HydrophobicContact CD2-CD2 4.12Å; M592-L629 HydrophobicContact CG-CD2 3.81Å; M592-L629 HydrophobicContact SD-CD2 3.88Å; L619-L629 HydrophobicContact CB-CD1 4.05Å; L619-L629 WeakPolarHBondContact O-CD1 3.47Å; L625-L629 HydrophobicContact CD1-CD1 4.44Å; L625-L629 HydrophobicContact CD1-CG 4.27Å; L625-L629 HydrophobicContact CG-CD1 3.99Å; L625-L629 HydrophobicContact CG-CG 4.3Å; L625-L629 VanDerWaalsContact O-CG 3.32Å; L625-L629 WeakPolarHBondContact O-CG 3.39Å; L625-L629 PolarHBondContact O-N 2.9Å; L626-L629 PolarHBondContact O-N 3.14Å; L629-K631 PolarHBondContact O-N 3.18Å; L629-K631 VanDerWaalsContact O-N 3.14Å; L629-I632 HydrophobicContact CD2-CD1 3.98Å; L629-I632 VanDerWaalsContact O-CB 3.25Å; L629-I632 WeakPolarHBondContact O-CB 3.48Å; L629-I632 PolarHBondContact O-N 2.69Å; L629-V635 HydrophobicContact CB-CG2 4.29Å; L629-V635 WeakPolarHBondContact O-CB 3.49Å; L629-V635 VanDerWaalsContact O-CG2 3.24Å; L629-V635 WeakPolarHBondContact O-CG2 3.44Å; L629-L674 HydrophobicContact CB-CD2 3.7Å; L629-L674 HydrophobicContact CD1-CD2 4.02Å
630V93.9Very high92.7Very high15 Ų1556.6 Ų56.69%0.09127%0.273CS..THydrogen-bonded Turntrans-64.3-22.1-176.7176.30000113.2L626 K628 I632 K636 L674 V677 D678L626-V630 WeakPolarHBondContact O-CG2 3.49Å; L626-V630 PolarHBondContact O-N 2.5Å; K628-V630 PolarHBondContact O-N 3.38Å; V630-I632 VanDerWaalsContact C-N 3.29Å; V630-I632 PolarHBondContact O-N 3.03Å; V630-K636 WeakPolarHBondContact O-CE 3.46Å; V630-L674 HydrophobicContact CG2-CB 4.39Å; V630-L674 HydrophobicContact CG2-CD2 4.15Å; V630-L674 VanDerWaalsContact CG2-O 3.31Å; V630-L674 WeakPolarHBondContact CG2-O 3.35Å; V630-V677 HydrophobicContact CG2-CB 3.93Å; V630-V677 HydrophobicContact CG2-CG1 4.35Å; V630-V677 HydrophobicContact CG2-CG2 3.82Å; V630-D678 WeakPolarHBondContact CG1-OD2 3.42Å
631K93.6Very high92.8Very high160 Ų16058.9 Ų58.970%0.69629%0.285SS*.THydrogen-bonded Turntrans-74.5-20.1175-62-179.5-176.7-177.90113.1K628 L629 K636K628-K631 PolarHBondContact O-N 3.46Å; L629-K631 PolarHBondContact O-N 3.18Å; L629-K631 VanDerWaalsContact O-N 3.14Å; K631-K636 VanDerWaalsContact O-CE 3.26Å; K631-K636 WeakPolarHBondContact O-CE 3.46Å; K631-K636 PolarHBondContact O-NZ 3.42Å
632I95.4Very high93Very high10 Ų1054.5 Ų54.55%0.05126%0.258CS..SBendtrans-75.9131.9-175.6-59175000110.4L588 E589 M592 L629 V630 A634 V635 K636L588-I632 HydrophobicContact CB-CD1 3.7Å; E589-I632 HydrophobicContact CB-CG2 4.5Å; E589-I632 HydrophobicContact CG-CD1 4.06Å; E589-I632 HydrophobicContact CG-CG1 3.9Å; E589-I632 HydrophobicContact CG-CG2 3.99Å; M592-I632 HydrophobicContact CB-CG2 4.16Å; M592-I632 HydrophobicContact CG-CD1 4.08Å; M592-I632 HydrophobicContact CG-CG2 4.43Å; L629-I632 HydrophobicContact CD2-CD1 3.98Å; L629-I632 VanDerWaalsContact O-CB 3.25Å; L629-I632 WeakPolarHBondContact O-CB 3.48Å; L629-I632 PolarHBondContact O-N 2.69Å; V630-I632 VanDerWaalsContact C-N 3.29Å; V630-I632 PolarHBondContact O-N 3.03Å; I632-A634 VanDerWaalsContact C-N 3.28Å; I632-A634 HydrophobicContact CG2-CB 4Å; I632-A634 PolarHBondContact O-N 3.08Å; I632-V635 HydrophobicContact CB-CG2 4.35Å; I632-V635 WeakPolarHBondContact O-CB 3.31Å; I632-V635 PolarHBondContact O-N 3.15Å; I632-K636 PolarHBondContact O-N 2.87Å; I632-K636 VanDerWaalsContact O-N 3.17Å
633D95.6Very high93.3Very high119 Ų11955.6 Ų55.664%0.63626%0.261SS*.Hα-helixtrans-64.7-30.9-176.5-69-25.8000113.4V635 K636 F637D633-V635 VanDerWaalsContact C-N 3.31Å; D633-V635 PolarHBondContact O-N 2.97Å; D633-K636 PolarHBondContact O-N 2.84Å; D633-K636 IonicContact OD1-NZ 3.15Å; D633-K636 PolarHBondContact OD1-NZ 2.84Å; D633-F637 WeakPolarHBondContact O-CB 3.39Å; D633-F637 PolarHBondContact O-N 3.4Å
634A95Very high93.5Very high17 Ų1751.9 Ų51.914%0.1426%0.256CS..Hα-helixtrans-61-37.7171.900000112.5M592 V596 I632 F637 M638M592-A634 HydrophobicContact CB-CB 3.84Å; V596-A634 HydrophobicContact CG2-CB 4.15Å; I632-A634 VanDerWaalsContact C-N 3.28Å; I632-A634 HydrophobicContact CG2-CB 4Å; I632-A634 PolarHBondContact O-N 3.08Å; A634-F637 WeakPolarHBondContact O-CB 3.33Å; A634-F637 PolarHBondContact O-N 3.48Å; A634-M638 VanDerWaalsContact O-CG 3.28Å; A634-M638 WeakPolarHBondContact O-CG 3.41Å; A634-M638 PolarHBondContact O-N 2.96Å
635V96Very high93.6Very high0 Ų055.5 Ų55.50%027%0.271CS..Hα-helixtrans-69-46.5175.5170.50000110.5M592 L629 I632 D633 F637 M638 L639 L674M592-V635 HydrophobicContact CE-CG2 3.51Å; M592-V635 HydrophobicContact CG-CG2 3.93Å; M592-V635 HydrophobicContact SD-CG2 3.96Å; L629-V635 HydrophobicContact CB-CG2 4.29Å; L629-V635 WeakPolarHBondContact O-CB 3.49Å; L629-V635 VanDerWaalsContact O-CG2 3.24Å; L629-V635 WeakPolarHBondContact O-CG2 3.44Å; I632-V635 HydrophobicContact CB-CG2 4.35Å; I632-V635 WeakPolarHBondContact O-CB 3.31Å; I632-V635 PolarHBondContact O-N 3.15Å; D633-V635 VanDerWaalsContact C-N 3.31Å; D633-V635 PolarHBondContact O-N 2.97Å; V635-F637 PolarHBondContact O-N 2.71Å; V635-M638 PolarHBondContact O-N 3.12Å; V635-M638 VanDerWaalsContact O-N 3.07Å; V635-L639 HydrophobicContact CG1-CD1 4.02Å; V635-L639 HydrophobicContact CG1-CG 4.38Å; V635-L639 PolarHBondContact O-N 3.01Å; V635-L674 HydrophobicContact CG1-CB 4.28Å; V635-L674 HydrophobicContact CG1-CD1 4.07Å; V635-L674 HydrophobicContact CG1-CD2 4.12Å; V635-L674 HydrophobicContact CG1-CG 4.39Å
636K95.3Very high93.8Very high86 Ų8656.9 Ų56.937%0.37428%0.277SS..Hα-helixtrans-58.3-38.8175.3-61.2176.3-161.8146.70111.6V630 K631 I632 D633 K640V630-K636 WeakPolarHBondContact O-CE 3.46Å; K631-K636 VanDerWaalsContact O-CE 3.26Å; K631-K636 WeakPolarHBondContact O-CE 3.46Å; K631-K636 PolarHBondContact O-NZ 3.42Å; I632-K636 PolarHBondContact O-N 2.87Å; I632-K636 VanDerWaalsContact O-N 3.17Å; D633-K636 PolarHBondContact O-N 2.84Å; D633-K636 IonicContact OD1-NZ 3.15Å; D633-K636 PolarHBondContact OD1-NZ 2.84Å; K636-K640 WeakPolarHBondContact O-CG 3.39Å; K636-K640 PolarHBondContact O-N 3.09Å
637F95.9Very high93.9Very high56 Ų5656.2 Ų56.225%0.24627%0.273CS..Hα-helixtrans-60-49.1173.8172.3-93.7000110.9V596 D633 A634 V635 K640 N641 H646 F647V596-F637 HydrophobicContact CG1-CD1 4.24Å; V596-F637 HydrophobicContact CG1-CE1 4.18Å; D633-F637 WeakPolarHBondContact O-CB 3.39Å; D633-F637 PolarHBondContact O-N 3.4Å; A634-F637 WeakPolarHBondContact O-CB 3.33Å; A634-F637 PolarHBondContact O-N 3.48Å; V635-F637 PolarHBondContact O-N 2.71Å; F637-K640 PolarHBondContact O-N 3.1Å; F637-N641 HydrophobicContact CD2-CB 4.42Å; F637-N641 WeakPolarHBondContact CD2-ND2 3.4Å; F637-N641 HydrophobicContact CE1-CB 4.34Å; F637-N641 HydrophobicContact CE2-CB 4.03Å; F637-N641 HydrophobicContact CZ-CB 3.97Å; F637-N641 WeakPolarHBondContact O-CB 3.38Å; F637-N641 PolarHBondContact O-N 3.08Å; F637-N641 PolarHBondContact O-ND2 3.33Å; F637-H646 HydrophobicContact CZ-CB 4.38Å; F637-H646 AromaticContact CZ-ND1 3.92Å; F637-F647 HydrophobicContact CD1-CZ 4.48Å; F637-F647 HydrophobicContact CE1-CE1 4.48Å; F637-F647 AromaticContact CE1-CZ 3.99Å; F637-F647 HydrophobicContact CE1-CZ 3.99Å
638M95.8Very high93.9Very high0 Ų053.4 Ų53.40%027%0.265CS..Hα-helixtrans-64.7-40.3-179.7-65.2172.570.500113M592 I595 V596 L599 L616 A634 V635 K640 N641 F647 F667 L671M592-M638 HydrophobicContact CE-SD 3.59Å; M592-M638 VanDerWaalsContact CE-SD 3.59Å; I595-M638 HydrophobicContact CG2-CE 4.31Å; I595-M638 HydrophobicContact CG2-SD 4.5Å; V596-M638 HydrophobicContact CG2-CG 3.65Å; V596-M638 HydrophobicContact CG2-SD 3.58Å; V596-M638 VanDerWaalsContact CG2-SD 3.58Å; L599-M638 HydrophobicContact CD1-CE 3.84Å; L616-M638 HydrophobicContact CD2-CE 3.72Å; A634-M638 VanDerWaalsContact O-CG 3.28Å; A634-M638 WeakPolarHBondContact O-CG 3.41Å; A634-M638 PolarHBondContact O-N 2.96Å; V635-M638 PolarHBondContact O-N 3.12Å; V635-M638 VanDerWaalsContact O-N 3.07Å; M638-K640 PolarHBondContact O-N 3.34Å; M638-N641 PolarHBondContact O-N 3.49Å; M638-F647 HydrophobicContact CB-CZ 4.45Å; M638-F647 HydrophobicContact CG-CE2 4.48Å; M638-F647 HydrophobicContact CG-CZ 3.88Å; M638-F667 HydrophobicContact CE-CE2 3.72Å; M638-L671 HydrophobicContact CB-CD2 3.79Å; M638-L671 HydrophobicContact CE-CD2 4.15Å
639L95.1Very high93.8Very high24 Ų2451.1 Ų51.113%0.12626%0.255CS..Hα-helixtrans-63.6-29.3177.3-73.5173000112.8V635 H642 L671 L674 L675 F689V635-L639 HydrophobicContact CG1-CD1 4.02Å; V635-L639 HydrophobicContact CG1-CG 4.38Å; V635-L639 PolarHBondContact O-N 3.01Å; L639-H642 PolarHBondContact O-CD2 3.02Å; L639-L671 HydrophobicContact CD2-CD2 4.18Å; L639-L671 WeakPolarHBondContact CD2-O 3.29Å; L639-L674 HydrophobicContact CD2-CB 4.38Å; L639-L675 HydrophobicContact CD2-CB 3.98Å; L639-F689 HydrophobicContact CD2-CD2 4.46Å; L639-F689 HydrophobicContact CD2-CE2 4.16Å
640K93.6Very high93.7Very high168 Ų16851.5 Ų51.573%0.7326%0.257SS*.Hα-helixtrans-91-25.1177.2-68-179.1-179.7-173.90113.9K636 F637 M638K636-K640 WeakPolarHBondContact O-CG 3.39Å; K636-K640 PolarHBondContact O-N 3.09Å; F637-K640 PolarHBondContact O-N 3.1Å; M638-K640 PolarHBondContact O-N 3.34Å
641N94Very high93.4Very high48 Ų4851.1 Ų51.126%0.25726%0.256SS..  trans-129.755-164.7-60.7-74.6000112.2F637 M638 T643 H646 F647F637-N641 HydrophobicContact CD2-CB 4.42Å; F637-N641 WeakPolarHBondContact CD2-ND2 3.4Å; F637-N641 HydrophobicContact CE1-CB 4.34Å; F637-N641 HydrophobicContact CE2-CB 4.03Å; F637-N641 HydrophobicContact CZ-CB 3.97Å; F637-N641 WeakPolarHBondContact O-CB 3.38Å; F637-N641 PolarHBondContact O-N 3.08Å; F637-N641 PolarHBondContact O-ND2 3.33Å; M638-N641 PolarHBondContact O-N 3.49Å; N641-T643 PolarHBondContact O-N 3.24Å; N641-H646 VanDerWaalsContact CB-CD2 3.48Å; N641-H646 WeakPolarHBondContact CB-CD2 3.4Å; N641-H646 PolarHBondContact OD1-NE2 3.3Å; N641-F647 WeakPolarHBondContact O-CE2 3.34Å
642H95Very high92.8Very high3 Ų345.7 Ų45.71%0.01424%0.235CC..  trans-99.947.4-17754.677.9000113.5L639 L650 F667 Y668 L671 F689L639-H642 PolarHBondContact O-CD2 3.02Å; H642-L650 VanDerWaalsContact O-CD1 3.26Å; H642-L650 WeakPolarHBondContact O-CD1 3.02Å; H642-F667 HydrophobicContact CB-CE1 3.94Å; H642-F667 HydrophobicContact CB-CZ 4.1Å; H642-Y668 AromaticContact ND1-CE1 3.88Å; H642-Y668 AromaticContact ND1-CZ 3.97Å; H642-Y668 PolarHBondContact ND1-OH 3.47Å; H642-Y668 PolarHBondContact O-OH 3.41Å; H642-L671 HydrophobicContact CB-CD1 3.84Å; H642-F689 AromaticContact CD2-CD2 3.92Å; H642-F689 AromaticContact CD2-CE2 3.76Å; H642-F689 PolarHBondContact CE1-O 3.29Å; H642-F689 AromaticContact NE2-CD2 3.48Å; H642-F689 WeakPolarHBondContact NE2-CD2 3.1Å; H642-F689 AromaticContact NE2-CE2 3.67Å; H642-F689 PolarHBondContact NE2-O 2.66Å; H642-F689 VanDerWaalsContact NE2-O 3.16Å
643T93.2Very high91.9Very high44 Ų4448 Ų4827%0.2725%0.252SS..SBendtrans-111.8169.1177.467.70000112N641 E645 H646 F647 P692N641-T643 PolarHBondContact O-N 3.24Å; T643-E645 PolarHBondContact O-N 2.94Å; T643-H646 PolarHBondContact O-N 2.81Å; T643-F647 PolarHBondContact O-N 2.75Å; T643-P692 HydrophobicContact CG2-CB 3.85Å; T643-P692 HydrophobicContact CG2-CG 3.97Å
644S90.8Very high90.6Very high66 Ų6649.7 Ų49.746%0.46226%0.256SS..THydrogen-bonded Turntrans-65.8-17176.855.10000114.3H646 F647S644-H646 VanDerWaalsContact C-N 3.31Å; S644-F647 WeakPolarHBondContact CA-O 3.33Å
645E90.2Very high89.3Confident162 Ų16254.3 Ų54.376%0.75728%0.282SS*.THydrogen-bonded Turntrans-63.4-39.2172.3-176.7-178.9168.300111.3T643T643-E645 PolarHBondContact O-N 2.94Å
646H92.3Very high88.1Confident45 Ų4555.9 Ų55.921%0.20829%0.288CS..THydrogen-bonded Turntrans-97.4-33.3-179.4-59.4-67.3000112.7K600 F637 N641 T643 S644K600-H646 VanDerWaalsContact CG-O 3.28Å; K600-H646 WeakPolarHBondContact CG-O 3.46Å; F637-H646 HydrophobicContact CZ-CB 4.38Å; F637-H646 AromaticContact CZ-ND1 3.92Å; N641-H646 VanDerWaalsContact CB-CD2 3.48Å; N641-H646 WeakPolarHBondContact CB-CD2 3.4Å; N641-H646 PolarHBondContact OD1-NE2 3.3Å; T643-H646 PolarHBondContact O-N 2.81Å; S644-H646 VanDerWaalsContact C-N 3.31Å
647F93.5Very high87Confident0 Ų056.8 Ų56.80%030%0.297CS..  trans-125.693.7-177.9-56.8-53.7000110.3V596 L599 K600 F637 M638 N641 T643 S644 F649 L650 F667V596-F647 HydrophobicContact CG1-CE1 4.48Å; L599-F647 HydrophobicContact CB-CD1 3.54Å; L599-F647 HydrophobicContact CB-CE1 3.91Å; L599-F647 HydrophobicContact CB-CG 4.39Å; L599-F647 HydrophobicContact CD1-CE1 4.49Å; K600-F647 HydrophobicContact CG-CD1 4.3Å; K600-F647 HydrophobicContact CG-CE1 4.22Å; F637-F647 HydrophobicContact CD1-CZ 4.48Å; F637-F647 HydrophobicContact CE1-CE1 4.48Å; F637-F647 AromaticContact CE1-CZ 3.99Å; F637-F647 HydrophobicContact CE1-CZ 3.99Å; M638-F647 HydrophobicContact CB-CZ 4.45Å; M638-F647 HydrophobicContact CG-CE2 4.48Å; M638-F647 HydrophobicContact CG-CZ 3.88Å; N641-F647 WeakPolarHBondContact O-CE2 3.34Å; T643-F647 PolarHBondContact O-N 2.75Å; S644-F647 WeakPolarHBondContact CA-O 3.33Å; F647-F649 HydrophobicContact CB-CD1 3.95Å; F647-F649 HydrophobicContact CB-CE1 3.73Å; F647-F649 HydrophobicContact CG-CE1 4.39Å; F647-F649 PolarHBondContact O-N 3.49Å; F647-L650 HydrophobicContact CB-CD1 3.93Å; F647-L650 HydrophobicContact CB-CG 4.12Å; F647-L650 HydrophobicContact CD2-CD1 4.23Å; F647-L650 WeakPolarHBondContact O-CB 3.15Å; F647-L650 PolarHBondContact O-N 3.26Å; F647-F667 HydrophobicContact CD2-CE1 4.49Å; F647-F667 HydrophobicContact CD2-CE2 4.45Å; F647-F667 AromaticContact CD2-CZ 3.72Å; F647-F667 HydrophobicContact CD2-CZ 3.72Å; F647-F667 HydrophobicContact CE2-CE2 4.48Å; F647-F667 AromaticContact CE2-CZ 3.88Å; F647-F667 HydrophobicContact CE2-CZ 3.88Å
648P90.4Very high86Confident38 Ų3855.8 Ų55.825%0.24730%0.296CS..G310 helixtrans-56.1-28.5-170.4-28.835.5000115.2L599 K600 L650 G651 Y656L599-P648 WeakPolarHBondContact O-CD 3.3Å; K600-P648 WeakPolarHBondContact O-CD 3.44Å; K600-P648 WeakPolarHBondContact O-CG 3.26Å; P648-L650 PolarHBondContact O-N 3.41Å; P648-L650 VanDerWaalsContact O-N 3.16Å; P648-G651 PolarHBondContact O-N 3.46Å; P648-Y656 VanDerWaalsContact O-CZ 3.32Å; P648-Y656 PolarHBondContact O-OH 3.21Å
649F90.2Very high84.9Confident12 Ų1256.9 Ų56.95%0.05331%0.307CS..G310 helixtrans-65-14.8178.383.9-86.6000113.8L599 I609 L613 F647 C663 R664 F667L599-F649 HydrophobicContact CB-CE1 4.38Å; L599-F649 HydrophobicContact CD2-CD1 4.37Å; L599-F649 HydrophobicContact CD2-CE1 3.89Å; L599-F649 HydrophobicContact CD2-CZ 4.49Å; L599-F649 HydrophobicContact CG-CE1 4.48Å; I609-F649 HydrophobicContact CD1-CD1 4.35Å; I609-F649 HydrophobicContact CG2-CB 4.39Å; I609-F649 HydrophobicContact CG2-CD1 4.42Å; I609-F649 HydrophobicContact CG2-CD2 4.09Å; I609-F649 HydrophobicContact CG2-CG 4.04Å; L613-F649 HydrophobicContact CD1-CE2 4.04Å; L613-F649 HydrophobicContact CD1-CZ 4.17Å; L613-F649 HydrophobicContact CD2-CZ 4.43Å; F647-F649 HydrophobicContact CB-CD1 3.95Å; F647-F649 HydrophobicContact CB-CE1 3.73Å; F647-F649 HydrophobicContact CG-CE1 4.39Å; F647-F649 PolarHBondContact O-N 3.49Å; F649-C663 HydrophobicContact CD2-CB 4.34Å; F649-C663 HydrophobicContact CE2-CB 4.35Å; F649-R664 HydrophobicContact CE2-CG 4.35Å; F649-F667 HydrophobicContact CE2-CB 4.32Å; F649-F667 HydrophobicContact CE2-CG 4.47Å; F649-F667 HydrophobicContact CZ-CB 4Å; F649-F667 HydrophobicContact CZ-CD1 4Å; F649-F667 AromaticContact CZ-CD2 3.97Å; F649-F667 HydrophobicContact CZ-CD2 3.97Å; F649-F667 HydrophobicContact CZ-CE1 4.41Å; F649-F667 HydrophobicContact CZ-CE2 4.37Å; F649-F667 AromaticContact CZ-CG 3.74Å; F649-F667 HydrophobicContact CZ-CG 3.74Å
650L92Very high83.9Confident8 Ų857.8 Ų57.84%0.04231%0.312CS..G310 helixtrans-80.4-6.8172-59.5179.4000112.7H642 F647 P648 R664 F667 Y668H642-L650 VanDerWaalsContact O-CD1 3.26Å; H642-L650 WeakPolarHBondContact O-CD1 3.02Å; F647-L650 HydrophobicContact CB-CD1 3.93Å; F647-L650 HydrophobicContact CB-CG 4.12Å; F647-L650 HydrophobicContact CD2-CD1 4.23Å; F647-L650 WeakPolarHBondContact O-CB 3.15Å; F647-L650 PolarHBondContact O-N 3.26Å; P648-L650 PolarHBondContact O-N 3.41Å; P648-L650 VanDerWaalsContact O-N 3.16Å; L650-R664 HydrophobicContact CD2-CG 3.93Å; L650-R664 PolarHBondContact O-NH1 2.86Å; L650-F667 HydrophobicContact CD1-CD1 4.47Å; L650-F667 HydrophobicContact CD1-CE1 3.82Å; L650-F667 HydrophobicContact CD1-CZ 4.46Å; L650-F667 HydrophobicContact CD2-CD1 4.05Å; L650-F667 HydrophobicContact CD2-CE1 4.23Å; L650-Y668 HydrophobicContact CD2-CE2 4.4Å
651G88.1Confident83.6Confident7 Ų749.8 Ų49.87%0.07228%0.277CS..  trans-62.9159179.300000113.9P648 F661P648-G651 PolarHBondContact O-N 3.46Å; G651-F661 WeakPolarHBondContact O-CE1 3.49Å
652I82.1Confident83.4Confident47 Ų4754.1 Ų54.124%0.24129%0.29CS..  trans-117.3-0.1-171.1-46.5177.7000111.3R715 M716I652-R715 HydrophobicContact CG2-CB 3.4Å; I652-R715 WeakPolarHBondContact O-CD 3.31Å; I652-M716 HydrophobicContact CD1-CB 4.3Å; I652-M716 HydrophobicContact CD1-CG 3.65Å; I652-M716 HydrophobicContact CG2-CG 3.89Å
653S75.8Confident83.2Confident59 Ų5954.4 Ų54.441%0.41329%0.292SS..SBendtrans-61.4154.2-178.159.80000112.8T655 Y656 R715S653-T655 PolarHBondContact O-N 2.66Å; S653-T655 VanDerWaalsContact O-N 3.08Å; S653-T655 PolarHBondContact OG-OG1 3.14Å; S653-Y656 PolarHBondContact O-N 2.99Å; S653-Y656 WeakPolarHBondContact OG-CD2 3.49Å; S653-Y656 WeakPolarHBondContact OG-CE2 3.33Å; S653-R715 PolarHBondContact O-NH1 2.83Å
654E68Low83.3Confident154 Ų15452.8 Ų52.872%0.7228%0.281SS*.THydrogen-bonded Turntrans-58.7-23.7-178.9-67-176.3170.700113.7Y656 R715E654-Y656 PolarHBondContact O-N 3.43Å; E654-R715 PolarHBondContact O-NH2 3.47Å
655T67.8Low83.5Confident114 Ų11450.2 Ų50.270%0.69926%0.263SS*.THydrogen-bonded Turntrans-63.5-22.9176.156.40000113.9S653S653-T655 PolarHBondContact O-N 2.66Å; S653-T655 VanDerWaalsContact O-N 3.08Å; S653-T655 PolarHBondContact OG-OG1 3.14Å
656Y71Confident83.8Confident32 Ų3244.5 Ų44.513%0.12524%0.239CC..SBendtrans-89138.8178.4-63.9-70.2000110.8R604 P648 S653 E654 R715R604-Y656 HydrophobicContact CG-CE1 4.24Å; P648-Y656 VanDerWaalsContact O-CZ 3.32Å; P648-Y656 PolarHBondContact O-OH 3.21Å; S653-Y656 PolarHBondContact O-N 2.99Å; S653-Y656 WeakPolarHBondContact OG-CD2 3.49Å; S653-Y656 WeakPolarHBondContact OG-CE2 3.33Å; E654-Y656 PolarHBondContact O-N 3.43Å; Y656-R715 PolarHBondContact O-NH1 3.26Å
657N73.2Confident84.1Confident105 Ų10542.3 Ų42.356%0.56123%0.229SC*.  trans-76.9134.1174.9-168.9-20.7000109.3G659 D660N657-G659 PolarHBondContact O-N 3.35Å; N657-G659 VanDerWaalsContact O-N 3.11Å; N657-G659 PolarHBondContact OD1-N 3.47Å; N657-D660 WeakPolarHBondContact CB-OD2 3.35Å; N657-D660 PolarHBondContact N-OD2 3.46Å; N657-D660 WeakPolarHBondContact O-CB 3.44Å; N657-D660 PolarHBondContact O-N 2.91Å
658V74.9Confident84.3Confident36 Ų3642.6 Ų42.622%0.21823%0.23CC..G310 helixtrans-58.2-26.3175.7179.80000111.5D660 F661 I718 A764V658-D660 PolarHBondContact O-N 3.15Å; V658-F661 WeakPolarHBondContact O-CB 3.27Å; V658-F661 PolarHBondContact O-N 2.98Å; V658-I718 HydrophobicContact CG1-CD1 3.86Å; V658-I718 HydrophobicContact CG1-CG2 4.08Å; V658-A764 HydrophobicContact CG1-CB 4.49Å
659G71.4Confident84.6Confident22 Ų2241.3 Ų41.323%0.22722%0.221CC..G310 helixtrans-57.7-34.2172.500000114N657 F661 R662N657-G659 PolarHBondContact O-N 3.35Å; N657-G659 VanDerWaalsContact O-N 3.11Å; N657-G659 PolarHBondContact OD1-N 3.47Å; G659-F661 VanDerWaalsContact C-N 3.25Å; G659-F661 PolarHBondContact O-N 3.11Å; G659-R662 WeakPolarHBondContact O-CG 3.49Å; G659-R662 PolarHBondContact O-N 2.91Å; G659-R662 PolarHBondContact O-NE 3.03Å
660D74.8Confident84.9Confident44 Ų4440.7 Ų40.724%0.23522%0.218CC..G310 helixtrans-73.7-20.8-174.7-52.7-19.6000111.3N657 V658 R662 C663N657-D660 WeakPolarHBondContact CB-OD2 3.35Å; N657-D660 PolarHBondContact N-OD2 3.46Å; N657-D660 WeakPolarHBondContact O-CB 3.44Å; N657-D660 PolarHBondContact O-N 2.91Å; V658-D660 PolarHBondContact O-N 3.15Å; D660-R662 PolarHBondContact O-N 3.25Å; D660-C663 VanDerWaalsContact O-CB 3.26Å; D660-C663 WeakPolarHBondContact O-CB 3.38Å; D660-C663 PolarHBondContact O-N 2.96Å
661F86.4Confident85.2Confident0 Ų040.3 Ų40.30%022%0.216CC..G310 helixtrans-64.2-9.8177.7-67.84.6000112.7G651 V658 G659 C663 R664 R715 I718 R722G651-F661 WeakPolarHBondContact O-CE1 3.49Å; V658-F661 WeakPolarHBondContact O-CB 3.27Å; V658-F661 PolarHBondContact O-N 2.98Å; G659-F661 VanDerWaalsContact C-N 3.25Å; G659-F661 PolarHBondContact O-N 3.11Å; F661-C663 VanDerWaalsContact C-N 3.26Å; F661-C663 PolarHBondContact O-N 3.45Å; F661-R664 WeakPolarHBondContact O-CB 3.48Å; F661-R664 PolarHBondContact O-N 3.3Å; F661-R715 HydrophobicContact CE2-CB 4.33Å; F661-R715 WeakPolarHBondContact CE2-O 3.26Å; F661-I718 HydrophobicContact CB-CG2 4.42Å; F661-I718 HydrophobicContact CD2-CB 4.17Å; F661-I718 HydrophobicContact CD2-CG2 3.64Å; F661-I718 HydrophobicContact CE2-CG2 4.44Å; F661-R722 HydrophobicContact CB-CG 4.38Å; F661-R722 WeakPolarHBondContact O-CG 3.4Å
662R89.4Confident85.6Confident138 Ų13840 Ų4052%0.52121%0.213SC..Hα-helixtrans-59.1-37.7168.6-72179.8-74173.21.7112E606 G659 D660 R664 T665E606-R662 IonicContact OE1-NH2 2.9Å; G659-R662 WeakPolarHBondContact O-CG 3.49Å; G659-R662 PolarHBondContact O-N 2.91Å; G659-R662 PolarHBondContact O-NE 3.03Å; D660-R662 PolarHBondContact O-N 3.25Å; R662-R664 PolarHBondContact O-N 3.41Å; R662-T665 PolarHBondContact O-N 3.33Å
663C92.2Very high86.3Confident9 Ų940.4 Ų40.46%0.06121%0.212CC..Hα-helixtrans-57.8-34.1177.2-71.40000112.1I609 L613 F649 D660 F661 T665 T666 F667I609-C663 HydrophobicContact CG2-CB 4.07Å; L613-C663 HydrophobicContact CD1-CB 3.52Å; L613-C663 WeakPolarHBondContact CD1-O 3.33Å; F649-C663 HydrophobicContact CD2-CB 4.34Å; F649-C663 HydrophobicContact CE2-CB 4.35Å; D660-C663 VanDerWaalsContact O-CB 3.26Å; D660-C663 WeakPolarHBondContact O-CB 3.38Å; D660-C663 PolarHBondContact O-N 2.96Å; F661-C663 VanDerWaalsContact C-N 3.26Å; F661-C663 PolarHBondContact O-N 3.45Å; C663-T665 VanDerWaalsContact C-N 3.3Å; C663-T665 PolarHBondContact O-N 3.23Å; C663-T666 PolarHBondContact O-N 2.98Å; C663-T666 VanDerWaalsContact O-N 3.12Å; C663-F667 PolarHBondContact O-N 2.92Å
664R94.5Very high87.2Confident11 Ų1137.7 Ų37.74%0.04219%0.192CC..Hα-helixtrans-59.1-39.1178.8-58.5175.564.8148.21.7112.9F649 L650 F661 R662 T666 F667 Y668 G719 R722 D723F649-R664 HydrophobicContact CE2-CG 4.35Å; L650-R664 HydrophobicContact CD2-CG 3.93Å; L650-R664 PolarHBondContact O-NH1 2.86Å; F661-R664 WeakPolarHBondContact O-CB 3.48Å; F661-R664 PolarHBondContact O-N 3.3Å; R662-R664 PolarHBondContact O-N 3.41Å; R664-T666 PolarHBondContact O-N 2.95Å; R664-F667 PolarHBondContact O-N 3.3Å; R664-Y668 WeakPolarHBondContact O-CD2 3.41Å; R664-Y668 PolarHBondContact O-N 3.4Å; R664-G719 VanDerWaalsContact NH1-CA 3.33Å; R664-R722 HydrophobicContact CB-CB 4.13Å; R664-D723 VanDerWaalsContact CB-OD1 3.29Å; R664-D723 WeakPolarHBondContact CB-OD1 3.47Å; R664-D723 IonicContact CZ-OD1 3.32Å; R664-D723 IonicContact CZ-OD2 3.42Å; R664-D723 IonicContact NE-OD1 3.81Å; R664-D723 PolarHBondContact NE-OD1 2.9Å; R664-D723 IonicContact NE-OD2 2.99Å; R664-D723 VanDerWaalsContact NH2-CG 3.34Å; R664-D723 IonicContact NH2-OD1 2.83Å; R664-D723 PolarHBondContact NH2-OD1 2.91Å; R664-D723 IonicContact NH2-OD2 2.6Å; R664-D723 PolarHBondContact NH2-OD2 2.79Å
665T96.2Very high88.5Confident12 Ų1230.6 Ų30.67%0.07416%0.159CC..Hα-helixtrans-61.3-46175.8-61.30000111.2R662 C663 T669 R722 R725 G726R662-T665 PolarHBondContact O-N 3.33Å; C663-T665 VanDerWaalsContact C-N 3.3Å; C663-T665 PolarHBondContact O-N 3.23Å; T665-T669 WeakPolarHBondContact O-CB 3.39Å; T665-T669 PolarHBondContact O-N 3.34Å; T665-T669 PolarHBondContact O-OG1 3.5Å; T665-T669 VanDerWaalsContact O-OG1 3.05Å; T665-R722 WeakPolarHBondContact CA-O 3.26Å; T665-R722 WeakPolarHBondContact OG1-CD 3.27Å; T665-R722 PolarHBondContact OG1-O 3.19Å; T665-R725 HydrophobicContact CG2-CG 4.36Å; T665-G726 WeakPolarHBondContact O-CA 3.3Å
666T96.2Very high89.8Confident41 Ų4127.3 Ų27.325%0.25214%0.136SC..Hα-helixtrans-64.5-42.4179-52.90000111.4L613 C663 R664 T669 A670L613-T666 HydrophobicContact CB-CG2 4.1Å; C663-T666 PolarHBondContact O-N 2.98Å; C663-T666 VanDerWaalsContact O-N 3.12Å; R664-T666 PolarHBondContact O-N 2.95Å; T666-T669 PolarHBondContact O-N 3.25Å; T666-A670 PolarHBondContact O-N 3.36Å
667F97.2Very high90.8Very high0 Ų027.3 Ų27.30%014%0.14CC..Hα-helixtrans-58.5-54.1176.9178.3-114.4000112.2L599 L613 L616 M638 H642 F647 F649 L650 C663 R664 T669 A670 L671L599-F667 HydrophobicContact CD1-CD2 4.16Å; L599-F667 HydrophobicContact CD1-CE2 3.81Å; L613-F667 HydrophobicContact CD1-CB 4.18Å; L613-F667 HydrophobicContact CD2-CB 3.71Å; L613-F667 HydrophobicContact CD2-CD2 3.52Å; L613-F667 HydrophobicContact CD2-CG 4.06Å; L616-F667 HydrophobicContact CD2-CD2 4.39Å; M638-F667 HydrophobicContact CE-CE2 3.72Å; H642-F667 HydrophobicContact CB-CE1 3.94Å; H642-F667 HydrophobicContact CB-CZ 4.1Å; F647-F667 HydrophobicContact CD2-CE1 4.49Å; F647-F667 HydrophobicContact CD2-CE2 4.45Å; F647-F667 AromaticContact CD2-CZ 3.72Å; F647-F667 HydrophobicContact CD2-CZ 3.72Å; F647-F667 HydrophobicContact CE2-CE2 4.48Å; F647-F667 AromaticContact CE2-CZ 3.88Å; F647-F667 HydrophobicContact CE2-CZ 3.88Å; F649-F667 HydrophobicContact CE2-CB 4.32Å; F649-F667 HydrophobicContact CE2-CG 4.47Å; F649-F667 HydrophobicContact CZ-CB 4Å; F649-F667 HydrophobicContact CZ-CD1 4Å; F649-F667 AromaticContact CZ-CD2 3.97Å; F649-F667 HydrophobicContact CZ-CD2 3.97Å; F649-F667 HydrophobicContact CZ-CE1 4.41Å; F649-F667 HydrophobicContact CZ-CE2 4.37Å; F649-F667 AromaticContact CZ-CG 3.74Å; F649-F667 HydrophobicContact CZ-CG 3.74Å; L650-F667 HydrophobicContact CD1-CD1 4.47Å; L650-F667 HydrophobicContact CD1-CE1 3.82Å; L650-F667 HydrophobicContact CD1-CZ 4.46Å; L650-F667 HydrophobicContact CD2-CD1 4.05Å; L650-F667 HydrophobicContact CD2-CE1 4.23Å; C663-F667 PolarHBondContact O-N 2.92Å; R664-F667 PolarHBondContact O-N 3.3Å; F667-T669 VanDerWaalsContact C-N 3.35Å; F667-T669 PolarHBondContact O-N 2.88Å; F667-A670 PolarHBondContact O-N 2.87Å; F667-L671 HydrophobicContact CD1-CD1 3.91Å; F667-L671 HydrophobicContact CD2-CD1 4.28Å; F667-L671 HydrophobicContact CD2-CG 4.43Å; F667-L671 HydrophobicContact CE1-CD1 3.36Å; F667-L671 HydrophobicContact CE1-CG 4.43Å; F667-L671 HydrophobicContact CE2-CD1 3.78Å; F667-L671 HydrophobicContact CE2-CG 4.16Å; F667-L671 HydrophobicContact CG-CD1 4.36Å; F667-L671 HydrophobicContact CZ-CD1 3.31Å; F667-L671 HydrophobicContact CZ-CG 4.18Å; F667-L671 PolarHBondContact O-N 2.8Å
668Y97.8Very high91.5Very high6 Ų627.5 Ų27.52%0.02414%0.141CC..Hα-helixtrans-67.7-33.2179.7-85.1-77.9000112.5H642 L650 R664 A670 T672 F689 L693 D723 I727H642-Y668 AromaticContact ND1-CE1 3.88Å; H642-Y668 AromaticContact ND1-CZ 3.97Å; H642-Y668 PolarHBondContact ND1-OH 3.47Å; H642-Y668 PolarHBondContact O-OH 3.41Å; L650-Y668 HydrophobicContact CD2-CE2 4.4Å; R664-Y668 WeakPolarHBondContact O-CD2 3.41Å; R664-Y668 PolarHBondContact O-N 3.4Å; Y668-A670 VanDerWaalsContact C-N 3.34Å; Y668-A670 PolarHBondContact O-N 3.38Å; Y668-T672 VanDerWaalsContact O-CB 3.26Å; Y668-T672 WeakPolarHBondContact O-CB 3.42Å; Y668-T672 PolarHBondContact O-N 2.91Å; Y668-T672 PolarHBondContact O-OG1 3.4Å; Y668-F689 HydrophobicContact CD1-CZ 4.15Å; Y668-F689 HydrophobicContact CE1-CZ 4.3Å; Y668-L693 HydrophobicContact CE1-CD1 3.94Å; Y668-L693 WeakPolarHBondContact OH-CD1 3.39Å; Y668-D723 HydrophobicContact CD2-CB 3.52Å; Y668-D723 VanDerWaalsContact CD2-CG 3.45Å; Y668-D723 WeakPolarHBondContact CD2-OD1 3.34Å; Y668-D723 HydrophobicContact CE2-CB 3.58Å; Y668-D723 VanDerWaalsContact CE2-OD1 3.23Å; Y668-D723 WeakPolarHBondContact CE2-OD1 3.29Å; Y668-D723 WeakPolarHBondContact CE2-OD2 3.34Å; Y668-D723 HydrophobicContact CG-CB 4.04Å; Y668-I727 HydrophobicContact CD1-CD1 3.84Å; Y668-I727 HydrophobicContact CD1-CG1 3.79Å; Y668-I727 HydrophobicContact CE1-CD1 4.31Å; Y668-I727 HydrophobicContact CG-CG1 4.22Å
669T97.6Very high92.3Very high10 Ų1025.9 Ų25.96%0.06113%0.131CC..Hα-helixtrans-59.3-44.9170.5-70.20000112.1T665 T666 F667 R673 G726 F729T665-T669 WeakPolarHBondContact O-CB 3.39Å; T665-T669 PolarHBondContact O-N 3.34Å; T665-T669 PolarHBondContact O-OG1 3.5Å; T665-T669 VanDerWaalsContact O-OG1 3.05Å; T666-T669 PolarHBondContact O-N 3.25Å; F667-T669 VanDerWaalsContact C-N 3.35Å; F667-T669 PolarHBondContact O-N 2.88Å; T669-R673 VanDerWaalsContact O-CG 3.29Å; T669-R673 WeakPolarHBondContact O-CG 3.34Å; T669-R673 PolarHBondContact O-N 3.44Å; T669-G726 VanDerWaalsContact CA-O 3.3Å; T669-G726 WeakPolarHBondContact CA-O 3.48Å; T669-G726 WeakPolarHBondContact OG1-CA 3.46Å; T669-G726 PolarHBondContact OG1-O 3.02Å; T669-F729 HydrophobicContact CG2-CD1 3.65Å; T669-F729 HydrophobicContact CG2-CE1 4.13Å
670A97Very high93.1Very high0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-70.4-43.7-179.500000112.2L616 T666 F667 Y668 R673 L674L616-A670 HydrophobicContact CD2-CB 4.02Å; L616-A670 HydrophobicContact CG-CB 3.8Å; T666-A670 PolarHBondContact O-N 3.36Å; F667-A670 PolarHBondContact O-N 2.87Å; Y668-A670 VanDerWaalsContact C-N 3.34Å; Y668-A670 PolarHBondContact O-N 3.38Å; A670-R673 PolarHBondContact O-N 2.93Å; A670-L674 WeakPolarHBondContact O-CG 3.31Å; A670-L674 PolarHBondContact O-N 3.37Å; A670-L674 VanDerWaalsContact O-N 3.13Å
671L97.2Very high93.7Very high0 Ų032.5 Ų32.50%017%0.167CC..Hα-helixtrans-61.1-45.7176.2-78.1-178.8000112.5M638 L639 H642 F667 R673 L674 L675 F689M638-L671 HydrophobicContact CB-CD2 3.79Å; M638-L671 HydrophobicContact CE-CD2 4.15Å; L639-L671 HydrophobicContact CD2-CD2 4.18Å; L639-L671 WeakPolarHBondContact CD2-O 3.29Å; H642-L671 HydrophobicContact CB-CD1 3.84Å; F667-L671 HydrophobicContact CD1-CD1 3.91Å; F667-L671 HydrophobicContact CD2-CD1 4.28Å; F667-L671 HydrophobicContact CD2-CG 4.43Å; F667-L671 HydrophobicContact CE1-CD1 3.36Å; F667-L671 HydrophobicContact CE1-CG 4.43Å; F667-L671 HydrophobicContact CE2-CD1 3.78Å; F667-L671 HydrophobicContact CE2-CG 4.16Å; F667-L671 HydrophobicContact CG-CD1 4.36Å; F667-L671 HydrophobicContact CZ-CD1 3.31Å; F667-L671 HydrophobicContact CZ-CG 4.18Å; F667-L671 PolarHBondContact O-N 2.8Å; L671-R673 VanDerWaalsContact C-N 3.28Å; L671-R673 PolarHBondContact O-N 3.2Å; L671-L674 WeakPolarHBondContact O-CB 3.2Å; L671-L674 PolarHBondContact O-N 3.01Å; L671-L674 VanDerWaalsContact O-N 3.08Å; L671-L675 PolarHBondContact O-N 3.31Å; L671-F689 HydrophobicContact CB-CE2 4.31Å; L671-F689 HydrophobicContact CB-CZ 4.22Å
672T97.2Very high94.1Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-66.6-31.8179.8-59.70000111.8Y668 L674 L675 M676 I727 A730 L731Y668-T672 VanDerWaalsContact O-CB 3.26Å; Y668-T672 WeakPolarHBondContact O-CB 3.42Å; Y668-T672 PolarHBondContact O-N 2.91Å; Y668-T672 PolarHBondContact O-OG1 3.4Å; T672-L674 VanDerWaalsContact C-N 3.34Å; T672-L675 PolarHBondContact O-N 3.32Å; T672-M676 HydrophobicContact CG2-CG 4.33Å; T672-M676 WeakPolarHBondContact O-CB 3.2Å; T672-M676 WeakPolarHBondContact O-CG 3.34Å; T672-M676 PolarHBondContact O-N 3.25Å; T672-I727 HydrophobicContact CG2-CG2 4.12Å; T672-A730 HydrophobicContact CG2-CB 3.59Å; T672-L731 HydrophobicContact CG2-CD2 3.3Å; T672-L731 HydrophobicContact CG2-CG 3.89Å
673R96.1Very high94.2Very high56 Ų5635.2 Ų35.221%0.21119%0.188CC..Hα-helixtrans-64.3-37.9170.7-74.9168.4177.4169.5-3.3112.7S617 S620 L626 T669 A670 L671 M676 A730S617-R673 PolarHBondContact OG-NH1 3.08Å; S620-R673 VanDerWaalsContact OG-CD 3.32Å; S620-R673 WeakPolarHBondContact OG-CD 3.32Å; S620-R673 PolarHBondContact OG-NH1 3.47Å; L626-R673 HydrophobicContact CD2-CB 4.47Å; T669-R673 VanDerWaalsContact O-CG 3.29Å; T669-R673 WeakPolarHBondContact O-CG 3.34Å; T669-R673 PolarHBondContact O-N 3.44Å; A670-R673 PolarHBondContact O-N 2.93Å; L671-R673 VanDerWaalsContact C-N 3.28Å; L671-R673 PolarHBondContact O-N 3.2Å; R673-M676 PolarHBondContact O-N 3.04Å; R673-A730 HydrophobicContact CG-CB 3.97Å
674L95.9Very high94.4Very high1 Ų140.3 Ų40.31%0.00521%0.214CC..Hα-helixtrans-67.6-45.5175.4-69.7160.7000111.2L616 L626 L629 V630 V635 L639 A670 L671 T672 M676 V677L616-L674 HydrophobicContact CD1-CD1 4.39Å; L626-L674 HydrophobicContact CD2-CD2 3.53Å; L626-L674 HydrophobicContact CD2-CG 4.02Å; L629-L674 HydrophobicContact CB-CD2 3.7Å; L629-L674 HydrophobicContact CD1-CD2 4.02Å; V630-L674 HydrophobicContact CG2-CB 4.39Å; V630-L674 HydrophobicContact CG2-CD2 4.15Å; V630-L674 VanDerWaalsContact CG2-O 3.31Å; V630-L674 WeakPolarHBondContact CG2-O 3.35Å; V635-L674 HydrophobicContact CG1-CB 4.28Å; V635-L674 HydrophobicContact CG1-CD1 4.07Å; V635-L674 HydrophobicContact CG1-CD2 4.12Å; V635-L674 HydrophobicContact CG1-CG 4.39Å; L639-L674 HydrophobicContact CD2-CB 4.38Å; A670-L674 WeakPolarHBondContact O-CG 3.31Å; A670-L674 PolarHBondContact O-N 3.37Å; A670-L674 VanDerWaalsContact O-N 3.13Å; L671-L674 WeakPolarHBondContact O-CB 3.2Å; L671-L674 PolarHBondContact O-N 3.01Å; L671-L674 VanDerWaalsContact O-N 3.08Å; T672-L674 VanDerWaalsContact C-N 3.34Å; L674-M676 VanDerWaalsContact C-N 3.25Å; L674-M676 PolarHBondContact O-N 3.29Å; L674-V677 WeakPolarHBondContact O-CG2 3.43Å; L674-V677 PolarHBondContact O-N 3.46Å
675L95.6Very high94.4Very high6 Ų643.2 Ų43.23%0.03123%0.228CC..Hα-helixtrans-54.8-44173.7-178.467.8000111.3L639 L671 T672 V677 D678 L679 E685 F689L639-L675 HydrophobicContact CD2-CB 3.98Å; L671-L675 PolarHBondContact O-N 3.31Å; T672-L675 PolarHBondContact O-N 3.32Å; L675-V677 PolarHBondContact O-N 2.71Å; L675-D678 PolarHBondContact O-N 3.47Å; L675-L679 HydrophobicContact CD1-CD1 4.12Å; L675-L679 HydrophobicContact CD2-CD1 4.39Å; L675-L679 HydrophobicContact CD2-CD2 4.37Å; L675-L679 HydrophobicContact CG-CB 4.35Å; L675-L679 HydrophobicContact CG-CD1 4.13Å; L675-L679 HydrophobicContact CG-CD2 4.43Å; L675-L679 WeakPolarHBondContact O-CB 3.47Å; L675-L679 PolarHBondContact O-N 2.89Å; L675-E685 HydrophobicContact CD1-CG 4.1Å; L675-F689 HydrophobicContact CD1-CB 4.5Å; L675-F689 HydrophobicContact CD2-CB 4Å; L675-F689 HydrophobicContact CD2-CD1 3.67Å; L675-F689 HydrophobicContact CD2-CD2 4.13Å; L675-F689 HydrophobicContact CD2-CE1 4.16Å; L675-F689 HydrophobicContact CD2-CG 3.66Å
676M94Very high94.4Very high44 Ų4442.8 Ų42.822%0.21723%0.226CC..THydrogen-bonded Turntrans-64.8-11.5-174.1-76.1-91.161.400115.9T672 R673 L674 L679 L731 S736T672-M676 HydrophobicContact CG2-CG 4.33Å; T672-M676 WeakPolarHBondContact O-CB 3.2Å; T672-M676 WeakPolarHBondContact O-CG 3.34Å; T672-M676 PolarHBondContact O-N 3.25Å; R673-M676 PolarHBondContact O-N 3.04Å; L674-M676 VanDerWaalsContact C-N 3.25Å; L674-M676 PolarHBondContact O-N 3.29Å; M676-L679 HydrophobicContact CE-CB 3.64Å; M676-L679 HydrophobicContact CE-CD2 3.38Å; M676-L679 HydrophobicContact CE-CG 4.04Å; M676-L731 HydrophobicContact CG-CD2 3.9Å; M676-L731 HydrophobicContact SD-CD2 3.48Å; M676-L731 WeakPolarHBondContact SD-CD2 3.31Å; M676-S736 WeakPolarHBondContact SD-CB 3.44Å; M676-S736 PolarHBondContact SD-OG 3.26Å
677V91.5Very high94.3Very high33 Ų3346.5 Ų46.520%0.224%0.24CC..THydrogen-bonded Turntrans-68-43177.6-177.60000111.1L626 K627 V630 L674 L675L626-V677 HydrophobicContact CB-CG2 3.71Å; L626-V677 HydrophobicContact CD1-CG2 4.24Å; L626-V677 HydrophobicContact CD2-CG2 4.3Å; L626-V677 HydrophobicContact CG-CG2 4.32Å; K627-V677 HydrophobicContact CG-CG1 4.03Å; V630-V677 HydrophobicContact CG2-CB 3.93Å; V630-V677 HydrophobicContact CG2-CG1 4.35Å; V630-V677 HydrophobicContact CG2-CG2 3.82Å; L674-V677 WeakPolarHBondContact O-CG2 3.43Å; L674-V677 PolarHBondContact O-N 3.46Å; L675-V677 PolarHBondContact O-N 2.71Å
678D87.8Confident94.3Very high108 Ų10851.9 Ų51.958%0.57827%0.269SS*.THydrogen-bonded Turntrans-111.2-16.1-173.8-69.5-19.4000112.9V630 L675 G680V630-D678 WeakPolarHBondContact CG1-OD2 3.42Å; L675-D678 PolarHBondContact O-N 3.47Å; D678-G680 VanDerWaalsContact C-N 3.35Å; D678-G680 PolarHBondContact O-N 3.27Å
679L91.5Very high94.2Very high2 Ų251.9 Ų51.91%0.0127%0.269CS..  trans-55.1-43.1-175.5-170.271.9000113.9L675 M676 E681 D682 E685 F686 M739L675-L679 HydrophobicContact CD1-CD1 4.12Å; L675-L679 HydrophobicContact CD2-CD1 4.39Å; L675-L679 HydrophobicContact CD2-CD2 4.37Å; L675-L679 HydrophobicContact CG-CB 4.35Å; L675-L679 HydrophobicContact CG-CD1 4.13Å; L675-L679 HydrophobicContact CG-CD2 4.43Å; L675-L679 WeakPolarHBondContact O-CB 3.47Å; L675-L679 PolarHBondContact O-N 2.89Å; M676-L679 HydrophobicContact CE-CB 3.64Å; M676-L679 HydrophobicContact CE-CD2 3.38Å; M676-L679 HydrophobicContact CE-CG 4.04Å; L679-E681 PolarHBondContact O-N 2.96Å; L679-D682 WeakPolarHBondContact CD1-O 3.37Å; L679-D682 WeakPolarHBondContact O-CB 3.36Å; L679-D682 PolarHBondContact O-N 3.13Å; L679-E685 HydrophobicContact CD1-CB 3.89Å; L679-E685 HydrophobicContact CD1-CG 3.96Å; L679-F686 HydrophobicContact CD1-CB 4Å; L679-F686 HydrophobicContact CD2-CB 4.32Å; L679-F686 HydrophobicContact CD2-CD2 4.01Å; L679-M739 HydrophobicContact CD2-SD 4.01Å
680G88Confident94.2Very high46 Ų4651.4 Ų51.447%0.47427%0.266SS..THydrogen-bonded Turntrans52.1-113.4-178.400000113.6D678D678-G680 VanDerWaalsContact C-N 3.35Å; D678-G680 PolarHBondContact O-N 3.27Å
681E89.1Confident94.2Very high159 Ų15956 Ų5674%0.74329%0.29SS*.THydrogen-bonded Turntrans-113.816.7175.3-52.1-169.4152.500112.2L679 E683 T735L679-E681 PolarHBondContact O-N 2.96Å; E681-E683 PolarHBondContact O-N 3.24Å; E681-E683 VanDerWaalsContact O-N 3.11Å; E681-T735 HydrophobicContact CB-CG2 4.38Å; E681-T735 HydrophobicContact CG-CG2 3.98Å
682D93.6Very high94.1Very high73 Ų7357.5 Ų57.539%0.3930%0.3SS..  trans-76.494-179.1-164.7-32.4000111L679 D684 E685 F686L679-D682 WeakPolarHBondContact CD1-O 3.37Å; L679-D682 WeakPolarHBondContact O-CB 3.36Å; L679-D682 PolarHBondContact O-N 3.13Å; D682-D684 VanDerWaalsContact C-N 3.34Å; D682-D684 PolarHBondContact OD1-N 3.26Å; D682-E685 HydrophobicContact CB-CB 4.08Å; D682-E685 PolarHBondContact OD1-N 3.5Å; D682-F686 PolarHBondContact O-N 2.72Å
683E92.7Very high94.1Very high123 Ų12357.6 Ų57.658%0.57530%0.3SS*.Hα-helixtrans-67-34.8177.5-67.8-177.7178.800112E681 F686 E687 M739E681-E683 PolarHBondContact O-N 3.24Å; E681-E683 VanDerWaalsContact O-N 3.11Å; E683-F686 WeakPolarHBondContact O-CB 3.46Å; E683-F686 PolarHBondContact O-N 3.18Å; E683-E687 WeakPolarHBondContact O-CG 3.42Å; E683-E687 PolarHBondContact O-N 3.06Å; E683-M739 HydrophobicContact CG-CE 3.78Å; E683-M739 HydrophobicContact CG-CG 4.28Å
684D95Very high94.1Very high115 Ų11556.4 Ų56.462%0.61530%0.299SS*.Hα-helixtrans-65.8-43.2-179.7-68.9-36.3000110.7D682 F686 E687 N688D682-D684 VanDerWaalsContact C-N 3.34Å; D682-D684 PolarHBondContact OD1-N 3.26Å; D684-F686 VanDerWaalsContact C-N 3.33Å; D684-F686 PolarHBondContact O-N 3.24Å; D684-E687 PolarHBondContact O-N 3.01Å; D684-N688 WeakPolarHBondContact O-CB 3.47Å; D684-N688 VanDerWaalsContact O-CG 3.26Å; D684-N688 PolarHBondContact O-N 3.27Å; D684-N688 PolarHBondContact O-ND2 3.46Å
685E94.6Very high94.1Very high72 Ų7260.2 Ų60.234%0.33632%0.323SS..Hα-helixtrans-63.5-39.5175.1-175.5172.4-154.700111.5L675 L679 D682 N688 F689L675-E685 HydrophobicContact CD1-CG 4.1Å; L679-E685 HydrophobicContact CD1-CB 3.89Å; L679-E685 HydrophobicContact CD1-CG 3.96Å; D682-E685 HydrophobicContact CB-CB 4.08Å; D682-E685 PolarHBondContact OD1-N 3.5Å; E685-N688 PolarHBondContact O-N 2.87Å; E685-F689 PolarHBondContact O-N 2.85Å
686F96.3Very high94Very high4 Ų461.7 Ų61.72%0.01833%0.334CS..Hα-helixtrans-62.7-47.3174.6-176.7-101000111.6L679 D682 E683 D684 N688 F689 M690 L731 M739 L740 W743L679-F686 HydrophobicContact CD1-CB 4Å; L679-F686 HydrophobicContact CD2-CB 4.32Å; L679-F686 HydrophobicContact CD2-CD2 4.01Å; D682-F686 PolarHBondContact O-N 2.72Å; E683-F686 WeakPolarHBondContact O-CB 3.46Å; E683-F686 PolarHBondContact O-N 3.18Å; D684-F686 VanDerWaalsContact C-N 3.33Å; D684-F686 PolarHBondContact O-N 3.24Å; F686-N688 VanDerWaalsContact C-N 3.33Å; F686-N688 PolarHBondContact O-N 3.12Å; F686-F689 WeakPolarHBondContact O-CB 3.39Å; F686-F689 PolarHBondContact O-N 2.9Å; F686-M690 HydrophobicContact CD1-CG 3.99Å; F686-M690 HydrophobicContact CD2-CG 4.46Å; F686-M690 HydrophobicContact CE1-CG 3.59Å; F686-M690 HydrophobicContact CE1-SD 4.48Å; F686-M690 HydrophobicContact CE2-CG 4.1Å; F686-M690 HydrophobicContact CE2-SD 4.28Å; F686-M690 HydrophobicContact CG-CG 4.42Å; F686-M690 HydrophobicContact CZ-CG 3.64Å; F686-M690 HydrophobicContact CZ-SD 3.96Å; F686-M690 VanDerWaalsContact O-CG 3.29Å; F686-M690 WeakPolarHBondContact O-CG 3.41Å; F686-M690 PolarHBondContact O-N 3.34Å; F686-L731 HydrophobicContact CE2-CD1 4.22Å; F686-M739 HydrophobicContact CB-SD 4.19Å; F686-M739 HydrophobicContact CD1-CB 3.74Å; F686-M739 HydrophobicContact CD2-CB 4.41Å; F686-M739 HydrophobicContact CE1-CB 3.86Å; F686-M739 WeakPolarHBondContact CE1-O 3.15Å; F686-M739 HydrophobicContact CG-CB 4.03Å; F686-M739 HydrophobicContact CG-SD 4.3Å; F686-M739 HydrophobicContact CZ-CB 4.26Å; F686-L740 HydrophobicContact CZ-CB 4Å; F686-L740 HydrophobicContact CZ-CD1 4.37Å; F686-W743 HydrophobicContact CE1-CB 4.08Å; F686-W743 HydrophobicContact CE1-CG 4.46Å
687E95.6Very high94Very high118 Ų11859.6 Ų59.655%0.55132%0.323SS*.Hα-helixtrans-61.1-41.3178.2-75.3-168.8174.100112.1E683 D684 F689 M690 L691E683-E687 WeakPolarHBondContact O-CG 3.42Å; E683-E687 PolarHBondContact O-N 3.06Å; D684-E687 PolarHBondContact O-N 3.01Å; E687-F689 VanDerWaalsContact C-N 3.34Å; E687-F689 PolarHBondContact O-N 3.01Å; E687-M690 CarbonylContact O-C 3.58Å; E687-M690 PolarHBondContact O-N 3.05Å; E687-M690 VanDerWaalsContact O-N 3.13Å; E687-L691 PolarHBondContact O-N 2.9Å
688N95.7Very high94.2Very high113 Ų11361.7 Ų61.760%0.60433%0.331SS*.Hα-helixtrans-61.3-41.9175.6-76.6-51.7000111.9D684 E685 F686 M690 L691D684-N688 WeakPolarHBondContact O-CB 3.47Å; D684-N688 VanDerWaalsContact O-CG 3.26Å; D684-N688 PolarHBondContact O-N 3.27Å; D684-N688 PolarHBondContact O-ND2 3.46Å; E685-N688 PolarHBondContact O-N 2.87Å; F686-N688 VanDerWaalsContact C-N 3.33Å; F686-N688 PolarHBondContact O-N 3.12Å; N688-M690 VanDerWaalsContact C-N 3.33Å; N688-L691 WeakPolarHBondContact O-CB 3.41Å; N688-L691 PolarHBondContact O-N 3.03Å
689F97Very high94.4Very high6 Ų659 Ų593%0.02632%0.318CS..Hα-helixtrans-65.5-35.9173.7178.8-98.8000112.1L639 H642 Y668 L671 L675 E685 F686 E687 P692 I727L639-F689 HydrophobicContact CD2-CD2 4.46Å; L639-F689 HydrophobicContact CD2-CE2 4.16Å; H642-F689 AromaticContact CD2-CD2 3.92Å; H642-F689 AromaticContact CD2-CE2 3.76Å; H642-F689 PolarHBondContact CE1-O 3.29Å; H642-F689 AromaticContact NE2-CD2 3.48Å; H642-F689 WeakPolarHBondContact NE2-CD2 3.1Å; H642-F689 AromaticContact NE2-CE2 3.67Å; H642-F689 PolarHBondContact NE2-O 2.66Å; H642-F689 VanDerWaalsContact NE2-O 3.16Å; Y668-F689 HydrophobicContact CD1-CZ 4.15Å; Y668-F689 HydrophobicContact CE1-CZ 4.3Å; L671-F689 HydrophobicContact CB-CE2 4.31Å; L671-F689 HydrophobicContact CB-CZ 4.22Å; L675-F689 HydrophobicContact CD1-CB 4.5Å; L675-F689 HydrophobicContact CD2-CB 4Å; L675-F689 HydrophobicContact CD2-CD1 3.67Å; L675-F689 HydrophobicContact CD2-CD2 4.13Å; L675-F689 HydrophobicContact CD2-CE1 4.16Å; L675-F689 HydrophobicContact CD2-CG 3.66Å; E685-F689 PolarHBondContact O-N 2.85Å; F686-F689 WeakPolarHBondContact O-CB 3.39Å; F686-F689 PolarHBondContact O-N 2.9Å; E687-F689 VanDerWaalsContact C-N 3.34Å; E687-F689 PolarHBondContact O-N 3.01Å; F689-P692 WeakPolarHBondContact O-CD 3.34Å; F689-I727 HydrophobicContact CE1-CD1 4.13Å; F689-I727 HydrophobicContact CE1-CG1 4.36Å
690M97.5Very high94.5Very high0 Ų058.9 Ų58.90%032%0.318CS..Hα-helixtrans-79.8-14.8-179.5-66.2-58.3-68.800113.9F686 E687 N688 L693 T694 L724 I727 L740 W743F686-M690 HydrophobicContact CD1-CG 3.99Å; F686-M690 HydrophobicContact CD2-CG 4.46Å; F686-M690 HydrophobicContact CE1-CG 3.59Å; F686-M690 HydrophobicContact CE1-SD 4.48Å; F686-M690 HydrophobicContact CE2-CG 4.1Å; F686-M690 HydrophobicContact CE2-SD 4.28Å; F686-M690 HydrophobicContact CG-CG 4.42Å; F686-M690 HydrophobicContact CZ-CG 3.64Å; F686-M690 HydrophobicContact CZ-SD 3.96Å; F686-M690 VanDerWaalsContact O-CG 3.29Å; F686-M690 WeakPolarHBondContact O-CG 3.41Å; F686-M690 PolarHBondContact O-N 3.34Å; E687-M690 CarbonylContact O-C 3.58Å; E687-M690 PolarHBondContact O-N 3.05Å; E687-M690 VanDerWaalsContact O-N 3.13Å; N688-M690 VanDerWaalsContact C-N 3.33Å; M690-L693 HydrophobicContact CE-CB 4.49Å; M690-L693 HydrophobicContact CE-CD2 3.88Å; M690-L693 WeakPolarHBondContact O-CA 3.43Å; M690-L693 WeakPolarHBondContact O-CB 3.3Å; M690-L693 PolarHBondContact O-N 3.39Å; M690-T694 PolarHBondContact O-N 2.86Å; M690-T694 PolarHBondContact O-OG1 3.29Å; M690-L724 HydrophobicContact CE-CD2 3.86Å; M690-I727 HydrophobicContact CE-CD1 4.09Å; M690-I727 HydrophobicContact SD-CD1 3.74Å; M690-L740 HydrophobicContact CE-CD1 4.28Å; M690-W743 HydrophobicContact CB-CD2 4.47Å; M690-W743 HydrophobicContact CB-CZ2 4.35Å; M690-W743 HydrophobicContact CE-CD2 3.6Å; M690-W743 HydrophobicContact CE-CE3 3.51Å; M690-W743 HydrophobicContact CE-CG 4.42Å; M690-W743 HydrophobicContact CE-CH2 3.57Å; M690-W743 HydrophobicContact CE-CZ2 3.64Å; M690-W743 HydrophobicContact CE-CZ3 3.52Å
691L96.5Very high94.6Very high96 Ų9659.7 Ų59.750%0.50331%0.311SS..Hα-helixtrans-50.2-44.4-173.8-177.466000114.6E687 N688 L693 T694 V695E687-L691 PolarHBondContact O-N 2.9Å; N688-L691 WeakPolarHBondContact O-CB 3.41Å; N688-L691 PolarHBondContact O-N 3.03Å; L691-L693 VanDerWaalsContact C-N 3.29Å; L691-L693 PolarHBondContact O-N 3.4Å; L691-T694 WeakPolarHBondContact O-CB 3.36Å; L691-T694 PolarHBondContact O-N 2.8Å; L691-V695 WeakPolarHBondContact O-CG2 3.19Å; L691-V695 PolarHBondContact O-N 3.32Å
692P95.7Very high94.6Very high32 Ų3259.6 Ų59.621%0.20831%0.31CS..Hα-helixtrans-63.9-32.4177.2-25.238000114.1T643 F689 S696T643-P692 HydrophobicContact CG2-CB 3.85Å; T643-P692 HydrophobicContact CG2-CG 3.97Å; F689-P692 WeakPolarHBondContact O-CD 3.34Å; P692-S696 WeakPolarHBondContact O-CB 3.48Å; P692-S696 PolarHBondContact O-N 2.86Å; P692-S696 VanDerWaalsContact O-N 3.16Å; P692-S696 PolarHBondContact O-OG 3.42Å
693L96Very high94.4Very high2 Ų257.1 Ų57.11%0.0130%0.297CS..Hα-helixtrans-74-39175.8-77.568.1000110.2Y668 M690 L691 S696 F697 L720 D723 L724 I727 W743Y668-L693 HydrophobicContact CE1-CD1 3.94Å; Y668-L693 WeakPolarHBondContact OH-CD1 3.39Å; M690-L693 HydrophobicContact CE-CB 4.49Å; M690-L693 HydrophobicContact CE-CD2 3.88Å; M690-L693 WeakPolarHBondContact O-CA 3.43Å; M690-L693 WeakPolarHBondContact O-CB 3.3Å; M690-L693 PolarHBondContact O-N 3.39Å; L691-L693 VanDerWaalsContact C-N 3.29Å; L691-L693 PolarHBondContact O-N 3.4Å; L693-S696 WeakPolarHBondContact O-CB 3.49Å; L693-S696 PolarHBondContact O-N 3.49Å; L693-F697 WeakPolarHBondContact O-CD2 3.2Å; L693-F697 PolarHBondContact O-N 3.15Å; L693-L720 HydrophobicContact CB-CD2 4.24Å; L693-L720 HydrophobicContact CG-CD2 4.22Å; L693-D723 HydrophobicContact CD2-CB 4.08Å; L693-L724 HydrophobicContact CD2-CD2 3.81Å; L693-L724 HydrophobicContact CD2-CG 4.26Å; L693-I727 HydrophobicContact CD2-CD1 3.55Å; L693-W743 HydrophobicContact CB-CH2 4.01Å; L693-W743 HydrophobicContact CB-CZ2 4Å
694T96.5Very high94Very high31 Ų3151.9 Ų51.919%0.1927%0.272CS..Hα-helixtrans-54.8-54172.6-54.70000110M690 L691 S696 F697 E698 W743 Y748M690-T694 PolarHBondContact O-N 2.86Å; M690-T694 PolarHBondContact O-OG1 3.29Å; L691-T694 WeakPolarHBondContact O-CB 3.36Å; L691-T694 PolarHBondContact O-N 2.8Å; T694-S696 PolarHBondContact O-N 2.86Å; T694-F697 PolarHBondContact O-N 3.39Å; T694-F697 VanDerWaalsContact O-N 3.11Å; T694-E698 HydrophobicContact CG2-CG 4.48Å; T694-E698 WeakPolarHBondContact O-CG 3.4Å; T694-E698 PolarHBondContact O-N 2.79Å; T694-W743 PolarHBondContact OG1-NE1 3.48Å; T694-Y748 WeakPolarHBondContact CG2-OH 3.47Å
695V95.6Very high93.2Very high82 Ų8252.6 Ų52.650%0.49728%0.276SS..Hα-helixtrans-57.1-39.5178.3173.30000111.9L691 T699L691-V695 WeakPolarHBondContact O-CG2 3.19Å; L691-V695 PolarHBondContact O-N 3.32Å; V695-T699 WeakPolarHBondContact O-CB 3.3Å; V695-T699 PolarHBondContact O-N 2.93Å; V695-T699 PolarHBondContact O-OG1 2.96Å
696S93.3Very high92.5Very high37 Ų3752.4 Ų52.426%0.25928%0.277SS..Hα-helixtrans-66.9-42.6177.9-63.30000112.2P692 L693 T694 T699 V700P692-S696 WeakPolarHBondContact O-CB 3.48Å; P692-S696 PolarHBondContact O-N 2.86Å; P692-S696 VanDerWaalsContact O-N 3.16Å; P692-S696 PolarHBondContact O-OG 3.42Å; L693-S696 WeakPolarHBondContact O-CB 3.49Å; L693-S696 PolarHBondContact O-N 3.49Å; T694-S696 PolarHBondContact O-N 2.86Å; S696-T699 PolarHBondContact O-N 3.04Å; S696-V700 WeakPolarHBondContact O-CG2 3.38Å; S696-V700 PolarHBondContact O-N 3.43Å
697F95Very high91.4Very high0 Ų057.4 Ų57.40%030%0.304CS..Hα-helixtrans-65.1-43.2174.1-91.9-71.2000112.4L693 T694 T699 V700 L701 L720 L724 W743 Y748 L752L693-F697 WeakPolarHBondContact O-CD2 3.2Å; L693-F697 PolarHBondContact O-N 3.15Å; T694-F697 PolarHBondContact O-N 3.39Å; T694-F697 VanDerWaalsContact O-N 3.11Å; F697-T699 VanDerWaalsContact C-N 3.3Å; F697-T699 PolarHBondContact O-N 3.41Å; F697-V700 WeakPolarHBondContact O-CB 3.39Å; F697-V700 PolarHBondContact O-N 3.01Å; F697-L701 WeakPolarHBondContact O-CG 3.47Å; F697-L701 PolarHBondContact O-N 3.03Å; F697-L720 HydrophobicContact CD1-CD1 4.07Å; F697-L720 HydrophobicContact CD2-CD1 4.05Å; F697-L720 HydrophobicContact CD2-CD2 3.87Å; F697-L720 HydrophobicContact CD2-CG 4.48Å; F697-L720 HydrophobicContact CE1-CD1 4.12Å; F697-L720 HydrophobicContact CE2-CB 4.16Å; F697-L720 HydrophobicContact CE2-CD1 4.07Å; F697-L720 HydrophobicContact CE2-CD2 3.78Å; F697-L720 HydrophobicContact CE2-CG 4.23Å; F697-L720 HydrophobicContact CG-CD1 4.04Å; F697-L720 HydrophobicContact CZ-CB 4.09Å; F697-L720 HydrophobicContact CZ-CD1 4.12Å; F697-L720 HydrophobicContact CZ-CD2 4.49Å; F697-L720 HydrophobicContact CZ-CG 4.47Å; F697-L724 HydrophobicContact CE2-CD1 3.65Å; F697-L724 HydrophobicContact CE2-CG 4.42Å; F697-L724 HydrophobicContact CZ-CD1 3.67Å; F697-W743 AromaticContact CD2-CH2 3.71Å; F697-W743 HydrophobicContact CD2-CH2 3.71Å; F697-W743 HydrophobicContact CD2-CZ2 4.43Å; F697-W743 AromaticContact CE2-CH2 3.76Å; F697-W743 HydrophobicContact CE2-CH2 3.76Å; F697-W743 HydrophobicContact CE2-CZ3 4.25Å; F697-Y748 HydrophobicContact CB-CD1 3.57Å; F697-Y748 HydrophobicContact CB-CE1 3.55Å; F697-Y748 HydrophobicContact CB-CG 4.1Å; F697-Y748 AromaticContact CD1-CD1 3.83Å; F697-Y748 HydrophobicContact CD1-CD1 3.83Å; F697-Y748 AromaticContact CD1-CG 3.93Å; F697-Y748 HydrophobicContact CD1-CG 3.93Å; F697-Y748 HydrophobicContact CD2-CD1 4.42Å; F697-Y748 HydrophobicContact CD2-CD2 4.23Å; F697-Y748 HydrophobicContact CD2-CG 4.1Å; F697-Y748 HydrophobicContact CE1-CG 4.38Å; F697-Y748 AromaticContact CG-CD1 3.7Å; F697-Y748 HydrophobicContact CG-CD1 3.7Å; F697-Y748 HydrophobicContact CG-CD2 4.3Å; F697-Y748 HydrophobicContact CG-CE1 4.17Å; F697-Y748 AromaticContact CG-CG 3.78Å; F697-Y748 HydrophobicContact CG-CG 3.78Å; F697-L752 HydrophobicContact CE1-CD2 4.31Å; F697-L752 HydrophobicContact CZ-CD2 4.43Å
698E95.3Very high90.1Very high77 Ų7761.3 Ų61.336%0.3632%0.32SS..Hα-helixtrans-61.5-41.1176.6-68.4-50.2139.700111.5T694 L701 Q702 Y748T694-E698 HydrophobicContact CG2-CG 4.48Å; T694-E698 WeakPolarHBondContact O-CG 3.4Å; T694-E698 PolarHBondContact O-N 2.79Å; E698-L701 WeakPolarHBondContact O-CB 3.47Å; E698-L701 PolarHBondContact O-N 3.4Å; E698-Q702 VanDerWaalsContact O-CG 3.31Å; E698-Q702 WeakPolarHBondContact O-CG 3.48Å; E698-Q702 PolarHBondContact O-N 3.48Å; E698-Q702 VanDerWaalsContact O-N 3.07Å; E698-Y748 VanDerWaalsContact OE1-CE1 3.31Å; E698-Y748 WeakPolarHBondContact OE1-CE1 3.29Å; E698-Y748 PolarHBondContact OE1-OH 3Å
699T92.7Very high89.1Confident51 Ų5159.9 Ų59.931%0.31331%0.308SS..Hα-helixtrans-60.8-48.5173.9-58.50000110.5V695 S696 F697 L701 Q702 I703 M716V695-T699 WeakPolarHBondContact O-CB 3.3Å; V695-T699 PolarHBondContact O-N 2.93Å; V695-T699 PolarHBondContact O-OG1 2.96Å; S696-T699 PolarHBondContact O-N 3.04Å; F697-T699 VanDerWaalsContact C-N 3.3Å; F697-T699 PolarHBondContact O-N 3.41Å; T699-L701 VanDerWaalsContact C-N 3.33Å; T699-L701 PolarHBondContact O-N 3.11Å; T699-Q702 WeakPolarHBondContact O-CB 3.37Å; T699-Q702 PolarHBondContact O-N 3.04Å; T699-I703 WeakPolarHBondContact O-CG1 3.35Å; T699-I703 PolarHBondContact O-N 3.32Å; T699-M716 HydrophobicContact CG2-CE 3.76Å; T699-M716 HydrophobicContact CG2-SD 4.42Å
700V92.6Very high88.5Confident0 Ų062.8 Ų62.80%032%0.322CS..Hα-helixtrans-56.8-46.2176.3168.70000111.1S696 F697 Q702 I703 F704 V713 M716 L717 L720 V751S696-V700 WeakPolarHBondContact O-CG2 3.38Å; S696-V700 PolarHBondContact O-N 3.43Å; F697-V700 WeakPolarHBondContact O-CB 3.39Å; F697-V700 PolarHBondContact O-N 3.01Å; V700-Q702 VanDerWaalsContact C-N 3.28Å; V700-Q702 PolarHBondContact O-N 3.27Å; V700-I703 PolarHBondContact O-N 3.19Å; V700-F704 HydrophobicContact CG1-CD2 3.9Å; V700-F704 WeakPolarHBondContact O-CA 3.38Å; V700-F704 VanDerWaalsContact O-CB 3.28Å; V700-F704 WeakPolarHBondContact O-CB 3.32Å; V700-F704 PolarHBondContact O-N 3.1Å; V700-V713 HydrophobicContact CG1-CG1 4.16Å; V700-M716 HydrophobicContact CG2-CB 3.7Å; V700-M716 HydrophobicContact CG2-CE 3.73Å; V700-M716 HydrophobicContact CG2-CG 4.4Å; V700-M716 HydrophobicContact CG2-SD 3.84Å; V700-L717 HydrophobicContact CG1-CD1 4.38Å; V700-L717 HydrophobicContact CG1-CD2 3.98Å; V700-L717 HydrophobicContact CG1-CG 4.14Å; V700-L720 HydrophobicContact CG2-CD1 4.21Å; V700-V751 HydrophobicContact CG1-CG1 3.8Å
701L90.7Very high87.9Confident63 Ų6366.3 Ų66.333%0.3334%0.338SS..Hα-helixtrans-56.6-41178.4-81.9168.4000112.3F697 E698 T699 Y748 V751F697-L701 WeakPolarHBondContact O-CG 3.47Å; F697-L701 PolarHBondContact O-N 3.03Å; E698-L701 WeakPolarHBondContact O-CB 3.47Å; E698-L701 PolarHBondContact O-N 3.4Å; T699-L701 VanDerWaalsContact C-N 3.33Å; T699-L701 PolarHBondContact O-N 3.11Å; L701-Y748 HydrophobicContact CD1-CD1 4.3Å; L701-Y748 HydrophobicContact CD1-CE1 4.06Å; L701-V751 HydrophobicContact CD1-CG2 4.49Å; L701-V751 HydrophobicContact CD2-CG2 3.37Å; L701-V751 HydrophobicContact CG-CG2 3.9Å
702Q88.9Confident87.5Confident156 Ų15666.1 Ų66.173%0.72934%0.335SS*.Hα-helixtrans-67.3-37.5178.7-69.3171.114.800113E698 T699 V700E698-Q702 VanDerWaalsContact O-CG 3.31Å; E698-Q702 WeakPolarHBondContact O-CG 3.48Å; E698-Q702 PolarHBondContact O-N 3.48Å; E698-Q702 VanDerWaalsContact O-N 3.07Å; T699-Q702 WeakPolarHBondContact O-CB 3.37Å; T699-Q702 PolarHBondContact O-N 3.04Å; V700-Q702 VanDerWaalsContact C-N 3.28Å; V700-Q702 PolarHBondContact O-N 3.27Å
703I89Confident87.3Confident22 Ų2264.7 Ų64.711%0.11333%0.326CS..Hα-helixtrans-102.3-5.4-174.366.5172.4000114.3T699 V700 N705 N706 K709 V713 M716T699-I703 WeakPolarHBondContact O-CG1 3.35Å; T699-I703 PolarHBondContact O-N 3.32Å; V700-I703 PolarHBondContact O-N 3.19Å; I703-N705 PolarHBondContact O-N 2.69Å; I703-N705 VanDerWaalsContact O-N 3.12Å; I703-N706 VanDerWaalsContact O-CB 3.24Å; I703-N706 WeakPolarHBondContact O-CB 3.41Å; I703-N706 PolarHBondContact O-N 3.34Å; I703-K709 HydrophobicContact CB-CD 4.24Å; I703-K709 HydrophobicContact CD1-CD 4.24Å; I703-K709 HydrophobicContact CG2-CD 4.15Å; I703-V713 HydrophobicContact CB-CG2 4.41Å; I703-V713 HydrophobicContact CD1-CG2 3.43Å; I703-V713 VanDerWaalsContact CD1-CG2 3.43Å; I703-V713 HydrophobicContact CG1-CG2 3.46Å; I703-V713 VanDerWaalsContact CG1-CG2 3.46Å; I703-M716 HydrophobicContact CD1-SD 4.14Å
704F83.5Confident87Confident12 Ų1265.5 Ų65.55%0.05333%0.329CS..THydrogen-bonded Turntrans-55.7-36.5-172-163.6-90.8000113.6V700 N706 V713 L717 V751 R754 A755 R758 W759V700-F704 HydrophobicContact CG1-CD2 3.9Å; V700-F704 WeakPolarHBondContact O-CA 3.38Å; V700-F704 VanDerWaalsContact O-CB 3.28Å; V700-F704 WeakPolarHBondContact O-CB 3.32Å; V700-F704 PolarHBondContact O-N 3.1Å; F704-N706 VanDerWaalsContact C-N 3.31Å; F704-V713 HydrophobicContact CD2-CG1 3.96Å; F704-V713 HydrophobicContact CE2-CG1 4.35Å; F704-L717 HydrophobicContact CD2-CD1 4.48Å; F704-L717 HydrophobicContact CE2-CD1 3.93Å; F704-V751 HydrophobicContact CD2-CG1 4.23Å; F704-V751 HydrophobicContact CE2-CG1 4.26Å; F704-R754 HydrophobicContact CE1-CB 3.67Å; F704-R754 HydrophobicContact CE2-CB 4.49Å; F704-R754 HydrophobicContact CZ-CB 3.53Å; F704-A755 HydrophobicContact CE2-CB 4.46Å; F704-R758 PolarHBondContact O-NH1 3.13Å; F704-W759 HydrophobicContact CE2-CH2 4.13Å; F704-W759 HydrophobicContact CE2-CZ3 4.05Å; F704-W759 HydrophobicContact CZ-CH2 4.29Å; F704-W759 HydrophobicContact CZ-CZ3 4.17Å
705N79.5Confident86.7Confident131 Ų13165.4 Ų65.470%0.70133%0.325SS*.THydrogen-bonded Turntrans-84.6-3.3180-67.4-27.7000113.4I703 N707I703-N705 PolarHBondContact O-N 2.69Å; I703-N705 VanDerWaalsContact O-N 3.12Å; N705-N707 PolarHBondContact O-N 3.42Å
706N79.7Confident86.6Confident67 Ų6762.2 Ų62.236%0.35831%0.305SS..  trans-85.9109.8-178.8-167-16.4000111I703 F704 F708 K709I703-N706 VanDerWaalsContact O-CB 3.24Å; I703-N706 WeakPolarHBondContact O-CB 3.41Å; I703-N706 PolarHBondContact O-N 3.34Å; F704-N706 VanDerWaalsContact C-N 3.31Å; N706-F708 PolarHBondContact O-N 2.99Å; N706-F708 PolarHBondContact OD1-N 2.88Å; N706-K709 PolarHBondContact O-N 3.11Å
707N73.4Confident86.6Confident109 Ų10960.4 Ų60.458%0.58329%0.293SS*.G310 helixtrans-63.8-24.2-176.3-73.6-21.1000114.2N705 K709 Q710 R758N705-N707 PolarHBondContact O-N 3.42Å; N707-K709 VanDerWaalsContact C-N 3.33Å; N707-Q710 WeakPolarHBondContact O-CG 3.44Å; N707-R758 PolarHBondContact OD1-NH2 3.04Å
708F68.7Low86.6Confident201 Ų20160.6 Ų60.688%0.88229%0.293SS*.G310 helixtrans-79-14.4-179.2-63.5-76.7000113.7N706N706-F708 PolarHBondContact O-N 2.99Å; N706-F708 PolarHBondContact OD1-N 2.88Å
709K75Confident86.5Confident82 Ų8256.9 Ų56.936%0.35728%0.276SS..G310 helixtrans-11120.6-176.6-66.4-169.7164.6-146.30113.8I703 N706 N707 E711 E712 V713I703-K709 HydrophobicContact CB-CD 4.24Å; I703-K709 HydrophobicContact CD1-CD 4.24Å; I703-K709 HydrophobicContact CG2-CD 4.15Å; N706-K709 PolarHBondContact O-N 3.11Å; N707-K709 VanDerWaalsContact C-N 3.33Å; K709-E711 VanDerWaalsContact C-N 3.34Å; K709-E711 PolarHBondContact O-N 3.15Å; K709-E712 WeakPolarHBondContact CD-OE2 3.35Å; K709-E712 IonicContact NZ-OE2 3.21Å; K709-E712 PolarHBondContact NZ-OE2 3.49Å; K709-E712 PolarHBondContact O-N 3.36Å; K709-V713 VanDerWaalsContact O-CG2 3.32Å; K709-V713 WeakPolarHBondContact O-CG2 3.49Å; K709-V713 PolarHBondContact O-N 3.48Å
710Q83.2Confident86.7Confident67 Ų6754.6 Ų54.631%0.31326%0.262SS..Hα-helixtrans-59.7-39.9-173-75.8-168.641.300113.8N707 K714N707-Q710 WeakPolarHBondContact O-CG 3.44Å; Q710-K714 VanDerWaalsContact O-CB 3.27Å; Q710-K714 WeakPolarHBondContact O-CB 3.27Å; Q710-K714 PolarHBondContact O-N 2.98Å
711E85.9Confident86.9Confident75 Ų7554.6 Ų54.635%0.3526%0.262SS..Hα-helixtrans-72.5-38.3-178.4-169.557-154.800112K709 K714 R715K709-E711 VanDerWaalsContact C-N 3.34Å; K709-E711 PolarHBondContact O-N 3.15Å; E711-K714 PolarHBondContact O-N 3.17Å; E711-K714 WeakPolarHBondContact OE2-CE 3.37Å; E711-K714 IonicContact OE2-NZ 3.43Å; E711-K714 PolarHBondContact OE2-NZ 3.31Å; E711-R715 WeakPolarHBondContact O-CG 3.19Å; E711-R715 PolarHBondContact O-N 2.92Å; E711-R715 IonicContact OE1-NE 2.79Å
712E87.5Confident87.2Confident92 Ų9253.3 Ų53.343%0.4325%0.253SS..Hα-helixtrans-59-51.8172.2-172.9-179.9-166.300110.3K709 K714 R715 M716K709-E712 WeakPolarHBondContact CD-OE2 3.35Å; K709-E712 IonicContact NZ-OE2 3.21Å; K709-E712 PolarHBondContact NZ-OE2 3.49Å; K709-E712 PolarHBondContact O-N 3.36Å; E712-K714 VanDerWaalsContact C-N 3.32Å; E712-K714 PolarHBondContact O-N 3.19Å; E712-R715 PolarHBondContact O-N 3.33Å; E712-M716 HydrophobicContact CG-SD 4.48Å; E712-M716 VanDerWaalsContact O-CG 3.28Å; E712-M716 WeakPolarHBondContact O-CG 3.18Å; E712-M716 PolarHBondContact O-N 3.36Å
713V90.3Very high87.6Confident2 Ų246.1 Ų46.11%0.01222%0.219CC..Hα-helixtrans-57.9-44.1177.1173.40000112V700 I703 F704 K709 M716 L717 W759V700-V713 HydrophobicContact CG1-CG1 4.16Å; I703-V713 HydrophobicContact CB-CG2 4.41Å; I703-V713 HydrophobicContact CD1-CG2 3.43Å; I703-V713 VanDerWaalsContact CD1-CG2 3.43Å; I703-V713 HydrophobicContact CG1-CG2 3.46Å; I703-V713 VanDerWaalsContact CG1-CG2 3.46Å; F704-V713 HydrophobicContact CD2-CG1 3.96Å; F704-V713 HydrophobicContact CE2-CG1 4.35Å; K709-V713 VanDerWaalsContact O-CG2 3.32Å; K709-V713 WeakPolarHBondContact O-CG2 3.49Å; K709-V713 PolarHBondContact O-N 3.48Å; V713-M716 PolarHBondContact O-N 3.04Å; V713-L717 HydrophobicContact CG1-CD1 3.72Å; V713-L717 HydrophobicContact CG1-CG 4.4Å; V713-L717 WeakPolarHBondContact O-CB 3.33Å; V713-L717 WeakPolarHBondContact O-CG 3.31Å; V713-L717 PolarHBondContact O-N 3.48Å; V713-W759 HydrophobicContact CG1-CH2 3.78Å
714K90.5Very high88Confident19 Ų1945.1 Ų45.18%0.08321%0.214CC..Hα-helixtrans-61.1-48.1179.4-172.1-169.5-59.1168.40110.9Q710 E711 E712 M716 L717 I718 E762 C765Q710-K714 VanDerWaalsContact O-CB 3.27Å; Q710-K714 WeakPolarHBondContact O-CB 3.27Å; Q710-K714 PolarHBondContact O-N 2.98Å; E711-K714 PolarHBondContact O-N 3.17Å; E711-K714 WeakPolarHBondContact OE2-CE 3.37Å; E711-K714 IonicContact OE2-NZ 3.43Å; E711-K714 PolarHBondContact OE2-NZ 3.31Å; E712-K714 VanDerWaalsContact C-N 3.32Å; E712-K714 PolarHBondContact O-N 3.19Å; K714-M716 VanDerWaalsContact C-N 3.35Å; K714-M716 PolarHBondContact O-N 2.88Å; K714-L717 PolarHBondContact O-N 3.28Å; K714-I718 HydrophobicContact CG-CD1 4.07Å; K714-I718 WeakPolarHBondContact O-CG1 3.47Å; K714-I718 PolarHBondContact O-N 3.25Å; K714-E762 WeakPolarHBondContact CD-OE2 3.34Å; K714-E762 WeakPolarHBondContact CE-OE2 3.32Å; K714-E762 VanDerWaalsContact NZ-CD 3.31Å; K714-E762 IonicContact NZ-OE1 3.05Å; K714-E762 PolarHBondContact NZ-OE1 3.15Å; K714-E762 IonicContact NZ-OE2 3.75Å; K714-E762 PolarHBondContact NZ-OE2 3.34Å; K714-C765 HydrophobicContact CD-CB 4.32Å; K714-C765 HydrophobicContact CG-CB 3.87Å
715R91.2Very high88.6Confident29 Ų2947.6 Ų47.611%0.10922%0.223CC..Hα-helixtrans-63.2-40.1177.5-71174.9167.8-110.91.6111.8I652 S653 E654 Y656 F661 E711 E712 I718 G719I652-R715 HydrophobicContact CG2-CB 3.4Å; I652-R715 WeakPolarHBondContact O-CD 3.31Å; S653-R715 PolarHBondContact O-NH1 2.83Å; E654-R715 PolarHBondContact O-NH2 3.47Å; Y656-R715 PolarHBondContact O-NH1 3.26Å; F661-R715 HydrophobicContact CE2-CB 4.33Å; F661-R715 WeakPolarHBondContact CE2-O 3.26Å; E711-R715 WeakPolarHBondContact O-CG 3.19Å; E711-R715 PolarHBondContact O-N 2.92Å; E711-R715 IonicContact OE1-NE 2.79Å; E712-R715 PolarHBondContact O-N 3.33Å; R715-I718 PolarHBondContact O-N 2.68Å; R715-G719 PolarHBondContact O-N 2.69Å
716M92.5Very high89.5Confident14 Ų1441.3 Ų41.37%0.06919%0.189CC..Hα-helixtrans-59-47.7173.7-68.6179.880.400111.9I652 T699 V700 I703 E712 V713 K714 G719 L720I652-M716 HydrophobicContact CD1-CB 4.3Å; I652-M716 HydrophobicContact CD1-CG 3.65Å; I652-M716 HydrophobicContact CG2-CG 3.89Å; T699-M716 HydrophobicContact CG2-CE 3.76Å; T699-M716 HydrophobicContact CG2-SD 4.42Å; V700-M716 HydrophobicContact CG2-CB 3.7Å; V700-M716 HydrophobicContact CG2-CE 3.73Å; V700-M716 HydrophobicContact CG2-CG 4.4Å; V700-M716 HydrophobicContact CG2-SD 3.84Å; I703-M716 HydrophobicContact CD1-SD 4.14Å; E712-M716 HydrophobicContact CG-SD 4.48Å; E712-M716 VanDerWaalsContact O-CG 3.28Å; E712-M716 WeakPolarHBondContact O-CG 3.18Å; E712-M716 PolarHBondContact O-N 3.36Å; V713-M716 PolarHBondContact O-N 3.04Å; K714-M716 VanDerWaalsContact C-N 3.35Å; K714-M716 PolarHBondContact O-N 2.88Å; M716-G719 PolarHBondContact O-N 2.7Å; M716-L720 WeakPolarHBondContact O-CG 3.17Å; M716-L720 PolarHBondContact O-N 3.11Å
717L94.1Very high90.4Very high0 Ų038.1 Ų38.10%017%0.172CC..Hα-helixtrans-66.7-37.9180-74.7166.7000113.1V700 F704 V713 K714 G719 L720 A721 V751 L752 A755 W759V700-L717 HydrophobicContact CG1-CD1 4.38Å; V700-L717 HydrophobicContact CG1-CD2 3.98Å; V700-L717 HydrophobicContact CG1-CG 4.14Å; F704-L717 HydrophobicContact CD2-CD1 4.48Å; F704-L717 HydrophobicContact CE2-CD1 3.93Å; V713-L717 HydrophobicContact CG1-CD1 3.72Å; V713-L717 HydrophobicContact CG1-CG 4.4Å; V713-L717 WeakPolarHBondContact O-CB 3.33Å; V713-L717 WeakPolarHBondContact O-CG 3.31Å; V713-L717 PolarHBondContact O-N 3.48Å; K714-L717 PolarHBondContact O-N 3.28Å; L717-G719 VanDerWaalsContact C-N 3.33Å; L717-L720 PolarHBondContact O-N 3.41Å; L717-A721 VanDerWaalsContact O-CB 3.24Å; L717-A721 WeakPolarHBondContact O-CB 3.32Å; L717-A721 PolarHBondContact O-N 2.95Å; L717-V751 HydrophobicContact CD2-CG1 4.03Å; L717-L752 HydrophobicContact CD2-CD2 4.19Å; L717-A755 HydrophobicContact CD1-CB 3.75Å; L717-W759 HydrophobicContact CD1-CH2 4.22Å; L717-W759 HydrophobicContact CD1-CZ3 3.65Å
718I94.2Very high91.5Very high3 Ų333 Ų332%0.01515%0.145CC..Hα-helixtrans-60.8-47.5172.5-66.3165.3000109.4V658 F661 K714 R715 A721 R722 A764 C765 P768V658-I718 HydrophobicContact CG1-CD1 3.86Å; V658-I718 HydrophobicContact CG1-CG2 4.08Å; F661-I718 HydrophobicContact CB-CG2 4.42Å; F661-I718 HydrophobicContact CD2-CB 4.17Å; F661-I718 HydrophobicContact CD2-CG2 3.64Å; F661-I718 HydrophobicContact CE2-CG2 4.44Å; K714-I718 HydrophobicContact CG-CD1 4.07Å; K714-I718 WeakPolarHBondContact O-CG1 3.47Å; K714-I718 PolarHBondContact O-N 3.25Å; R715-I718 PolarHBondContact O-N 2.68Å; I718-A721 PolarHBondContact O-N 3.43Å; I718-R722 WeakPolarHBondContact O-CG 3.47Å; I718-R722 PolarHBondContact O-N 2.91Å; I718-R722 VanDerWaalsContact O-N 3.07Å; I718-A764 WeakPolarHBondContact CD1-O 3.33Å; I718-C765 HydrophobicContact CD1-CB 4.38Å; I718-C765 HydrophobicContact CG1-CB 4.34Å; I718-P768 HydrophobicContact CG2-CG 3.99Å
719G94.4Very high92.8Very high0 Ų026.6 Ų26.60%012%0.117CC..Hα-helixtrans-55.6-55.4175.600000112.3R664 R715 M716 L717 A721 R722 D723R664-G719 VanDerWaalsContact NH1-CA 3.33Å; R715-G719 PolarHBondContact O-N 2.69Å; M716-G719 PolarHBondContact O-N 2.7Å; L717-G719 VanDerWaalsContact C-N 3.33Å; G719-A721 VanDerWaalsContact C-N 3.33Å; G719-A721 PolarHBondContact O-N 3.34Å; G719-R722 WeakPolarHBondContact O-CA 3.33Å; G719-R722 WeakPolarHBondContact O-CB 3.16Å; G719-R722 PolarHBondContact O-N 3.21Å; G719-D723 PolarHBondContact O-N 3.37Å
720L96Very high93.8Very high2 Ų223 Ų231%0.0110%0.102CC..Hα-helixtrans-58.1-43179.3-74.7165.9000112.5L693 F697 V700 M716 L717 R722 D723 L724L693-L720 HydrophobicContact CB-CD2 4.24Å; L693-L720 HydrophobicContact CG-CD2 4.22Å; F697-L720 HydrophobicContact CD1-CD1 4.07Å; F697-L720 HydrophobicContact CD2-CD1 4.05Å; F697-L720 HydrophobicContact CD2-CD2 3.87Å; F697-L720 HydrophobicContact CD2-CG 4.48Å; F697-L720 HydrophobicContact CE1-CD1 4.12Å; F697-L720 HydrophobicContact CE2-CB 4.16Å; F697-L720 HydrophobicContact CE2-CD1 4.07Å; F697-L720 HydrophobicContact CE2-CD2 3.78Å; F697-L720 HydrophobicContact CE2-CG 4.23Å; F697-L720 HydrophobicContact CG-CD1 4.04Å; F697-L720 HydrophobicContact CZ-CB 4.09Å; F697-L720 HydrophobicContact CZ-CD1 4.12Å; F697-L720 HydrophobicContact CZ-CD2 4.49Å; F697-L720 HydrophobicContact CZ-CG 4.47Å; V700-L720 HydrophobicContact CG2-CD1 4.21Å; M716-L720 WeakPolarHBondContact O-CG 3.17Å; M716-L720 PolarHBondContact O-N 3.11Å; L717-L720 PolarHBondContact O-N 3.41Å; L720-R722 VanDerWaalsContact C-N 3.26Å; L720-R722 PolarHBondContact O-N 2.97Å; L720-D723 PolarHBondContact O-N 3.15Å; L720-L724 WeakPolarHBondContact O-CB 3.28Å; L720-L724 WeakPolarHBondContact O-CG 3.44Å; L720-L724 PolarHBondContact O-N 3.4Å
721A97Very high94.3Very high0 Ų019.8 Ų19.80%09%0.087CC..Hα-helixtrans-63.4-33.317700000112.3L717 I718 G719 R725 P768 I769 L772L717-A721 VanDerWaalsContact O-CB 3.24Å; L717-A721 WeakPolarHBondContact O-CB 3.32Å; L717-A721 PolarHBondContact O-N 2.95Å; I718-A721 PolarHBondContact O-N 3.43Å; G719-A721 VanDerWaalsContact C-N 3.33Å; G719-A721 PolarHBondContact O-N 3.34Å; A721-R725 WeakPolarHBondContact O-CB 3.48Å; A721-R725 PolarHBondContact O-N 2.74Å; A721-R725 VanDerWaalsContact O-N 3.14Å; A721-P768 HydrophobicContact CB-CB 3.81Å; A721-I769 HydrophobicContact CB-CG1 3.97Å; A721-L772 HydrophobicContact CB-CD2 4.45Å
722R96.2Very high94.6Very high37 Ų3718.8 Ų18.814%0.148%0.084CC..Hα-helixtrans-74.4-40.7176.8-69-70-177.3161.18.2112.5F661 R664 T665 I718 G719 L720 G726 P768F661-R722 HydrophobicContact CB-CG 4.38Å; F661-R722 WeakPolarHBondContact O-CG 3.4Å; R664-R722 HydrophobicContact CB-CB 4.13Å; T665-R722 WeakPolarHBondContact CA-O 3.26Å; T665-R722 WeakPolarHBondContact OG1-CD 3.27Å; T665-R722 PolarHBondContact OG1-O 3.19Å; I718-R722 WeakPolarHBondContact O-CG 3.47Å; I718-R722 PolarHBondContact O-N 2.91Å; I718-R722 VanDerWaalsContact O-N 3.07Å; G719-R722 WeakPolarHBondContact O-CA 3.33Å; G719-R722 WeakPolarHBondContact O-CB 3.16Å; G719-R722 PolarHBondContact O-N 3.21Å; L720-R722 VanDerWaalsContact C-N 3.26Å; L720-R722 PolarHBondContact O-N 2.97Å; R722-G726 PolarHBondContact O-N 2.87Å; R722-G726 VanDerWaalsContact O-N 3.15Å; R722-P768 HydrophobicContact CG-CB 4.41Å
723D97.1Very high94.8Very high4 Ų417.8 Ų17.82%0.0219%0.085CC..Hα-helixtrans-63.3-57.2177.1-61.5-6.3000109.9R664 Y668 L693 G719 L720 R725 G726 I727R664-D723 VanDerWaalsContact CB-OD1 3.29Å; R664-D723 WeakPolarHBondContact CB-OD1 3.47Å; R664-D723 IonicContact CZ-OD1 3.32Å; R664-D723 IonicContact CZ-OD2 3.42Å; R664-D723 IonicContact NE-OD1 3.81Å; R664-D723 PolarHBondContact NE-OD1 2.9Å; R664-D723 IonicContact NE-OD2 2.99Å; R664-D723 VanDerWaalsContact NH2-CG 3.34Å; R664-D723 IonicContact NH2-OD1 2.83Å; R664-D723 PolarHBondContact NH2-OD1 2.91Å; R664-D723 IonicContact NH2-OD2 2.6Å; R664-D723 PolarHBondContact NH2-OD2 2.79Å; Y668-D723 HydrophobicContact CD2-CB 3.52Å; Y668-D723 VanDerWaalsContact CD2-CG 3.45Å; Y668-D723 WeakPolarHBondContact CD2-OD1 3.34Å; Y668-D723 HydrophobicContact CE2-CB 3.58Å; Y668-D723 VanDerWaalsContact CE2-OD1 3.23Å; Y668-D723 WeakPolarHBondContact CE2-OD1 3.29Å; Y668-D723 WeakPolarHBondContact CE2-OD2 3.34Å; Y668-D723 HydrophobicContact CG-CB 4.04Å; L693-D723 HydrophobicContact CD2-CB 4.08Å; G719-D723 PolarHBondContact O-N 3.37Å; L720-D723 PolarHBondContact O-N 3.15Å; D723-R725 PolarHBondContact O-N 3.22Å; D723-G726 WeakPolarHBondContact O-CA 3.31Å; D723-G726 PolarHBondContact O-N 3.24Å; D723-I727 WeakPolarHBondContact O-CG1 3.38Å; D723-I727 PolarHBondContact O-N 2.66Å
724L97.8Very high94.9Very high1 Ų121 Ų211%0.00510%0.099CC..Hα-helixtrans-58.6-35.8179.3-73.3178.6000112.5M690 L693 F697 L720 G726 I727 A728 L740 W743 I744 L772M690-L724 HydrophobicContact CE-CD2 3.86Å; L693-L724 HydrophobicContact CD2-CD2 3.81Å; L693-L724 HydrophobicContact CD2-CG 4.26Å; F697-L724 HydrophobicContact CE2-CD1 3.65Å; F697-L724 HydrophobicContact CE2-CG 4.42Å; F697-L724 HydrophobicContact CZ-CD1 3.67Å; L720-L724 WeakPolarHBondContact O-CB 3.28Å; L720-L724 WeakPolarHBondContact O-CG 3.44Å; L720-L724 PolarHBondContact O-N 3.4Å; L724-G726 VanDerWaalsContact C-N 3.29Å; L724-G726 PolarHBondContact O-N 2.69Å; L724-I727 HydrophobicContact CD2-CD1 4.48Å; L724-I727 PolarHBondContact O-N 2.88Å; L724-A728 WeakPolarHBondContact O-CB 3.29Å; L724-A728 PolarHBondContact O-N 2.89Å; L724-L740 HydrophobicContact CD2-CD1 4.29Å; L724-W743 HydrophobicContact CD1-CZ3 4.32Å; L724-W743 HydrophobicContact CD2-CE3 4.37Å; L724-W743 HydrophobicContact CD2-CH2 3.96Å; L724-W743 HydrophobicContact CD2-CZ3 3.47Å; L724-W743 VanDerWaalsContact CD2-CZ3 3.47Å; L724-W743 HydrophobicContact CG-CZ3 4.49Å; L724-I744 HydrophobicContact CD1-CD1 3.9Å; L724-L772 HydrophobicContact CB-CD1 3.75Å; L724-L772 HydrophobicContact CB-CD2 3.82Å; L724-L772 HydrophobicContact CB-CG 4.46Å; L724-L772 HydrophobicContact CD1-CD2 3.84Å
725R97.7Very high94.9Very high64 Ų6422.7 Ų22.724%0.24211%0.111CC..Hα-helixtrans-65.2-38.1175.5-178.6176.5178.8-93.9-9.8111T665 A721 D723 F729 L772 E775T665-R725 HydrophobicContact CG2-CG 4.36Å; A721-R725 WeakPolarHBondContact O-CB 3.48Å; A721-R725 PolarHBondContact O-N 2.74Å; A721-R725 VanDerWaalsContact O-N 3.14Å; D723-R725 PolarHBondContact O-N 3.22Å; R725-F729 VanDerWaalsContact O-CB 3.23Å; R725-F729 WeakPolarHBondContact O-CB 3.45Å; R725-F729 PolarHBondContact O-N 3.12Å; R725-L772 HydrophobicContact CB-CB 4.36Å; R725-L772 HydrophobicContact CB-CD1 4.26Å; R725-E775 HydrophobicContact CG-CB 4.4Å
726G97.4Very high95Very high0 Ų021.3 Ų21.30%011%0.105CC..Hα-helixtrans-63.8-46.517600000111.9T665 T669 R722 D723 L724 F729 A730T665-G726 WeakPolarHBondContact O-CA 3.3Å; T669-G726 VanDerWaalsContact CA-O 3.3Å; T669-G726 WeakPolarHBondContact CA-O 3.48Å; T669-G726 WeakPolarHBondContact OG1-CA 3.46Å; T669-G726 PolarHBondContact OG1-O 3.02Å; R722-G726 PolarHBondContact O-N 2.87Å; R722-G726 VanDerWaalsContact O-N 3.15Å; D723-G726 WeakPolarHBondContact O-CA 3.31Å; D723-G726 PolarHBondContact O-N 3.24Å; L724-G726 VanDerWaalsContact C-N 3.29Å; L724-G726 PolarHBondContact O-N 2.69Å; G726-F729 PolarHBondContact O-N 3.28Å; G726-A730 PolarHBondContact O-N 3.21Å
727I98Very high95.1Very high0 Ų020.7 Ų20.70%010%0.102CC..Hα-helixtrans-60.6-58.5176-60.7172.7000109.8Y668 T672 F689 M690 L693 D723 L724 F729 A730 L731 L740Y668-I727 HydrophobicContact CD1-CD1 3.84Å; Y668-I727 HydrophobicContact CD1-CG1 3.79Å; Y668-I727 HydrophobicContact CE1-CD1 4.31Å; Y668-I727 HydrophobicContact CG-CG1 4.22Å; T672-I727 HydrophobicContact CG2-CG2 4.12Å; F689-I727 HydrophobicContact CE1-CD1 4.13Å; F689-I727 HydrophobicContact CE1-CG1 4.36Å; M690-I727 HydrophobicContact CE-CD1 4.09Å; M690-I727 HydrophobicContact SD-CD1 3.74Å; L693-I727 HydrophobicContact CD2-CD1 3.55Å; D723-I727 WeakPolarHBondContact O-CG1 3.38Å; D723-I727 PolarHBondContact O-N 2.66Å; L724-I727 HydrophobicContact CD2-CD1 4.48Å; L724-I727 PolarHBondContact O-N 2.88Å; I727-F729 PolarHBondContact O-N 3.21Å; I727-F729 VanDerWaalsContact O-N 3.12Å; I727-A730 PolarHBondContact O-N 3.26Å; I727-L731 HydrophobicContact CG2-CD1 3.87Å; I727-L731 HydrophobicContact CG2-CG 4.24Å; I727-L731 WeakPolarHBondContact O-CG 3.34Å; I727-L731 PolarHBondContact O-N 3.02Å; I727-L731 VanDerWaalsContact O-N 3.14Å; I727-L740 HydrophobicContact CG2-CD1 4.33Å
728A96.9Very high95.1Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-53.9-37.5179.700000111.9L724 A730 L740 E775 L776 R783L724-A728 WeakPolarHBondContact O-CB 3.29Å; L724-A728 PolarHBondContact O-N 2.89Å; A728-A730 VanDerWaalsContact C-N 3.35Å; A728-A730 PolarHBondContact O-N 3.2Å; A728-L740 HydrophobicContact CB-CD2 3.73Å; A728-E775 HydrophobicContact CB-CG 3.92Å; A728-L776 HydrophobicContact CB-CD2 4.11Å; A728-R783 PolarHBondContact O-NH1 3.32Å
729F96Very high95.1Very high68 Ų6822.8 Ų22.830%0.29811%0.114SC..Hα-helixtrans-65.4-34.6177.1-178.3-88.3000113.6T669 R725 G726 I727 E775 R780T669-F729 HydrophobicContact CG2-CD1 3.65Å; T669-F729 HydrophobicContact CG2-CE1 4.13Å; R725-F729 VanDerWaalsContact O-CB 3.23Å; R725-F729 WeakPolarHBondContact O-CB 3.45Å; R725-F729 PolarHBondContact O-N 3.12Å; G726-F729 PolarHBondContact O-N 3.28Å; I727-F729 PolarHBondContact O-N 3.21Å; I727-F729 VanDerWaalsContact O-N 3.12Å; F729-E775 WeakPolarHBondContact CA-OE1 3.24Å; F729-E775 HydrophobicContact CB-CG 4.4Å; F729-R780 VanDerWaalsContact CD2-NH2 3.31Å; F729-R780 VanDerWaalsContact CE2-CZ 3.47Å; F729-R780 VanDerWaalsContact CE2-NH2 3.33Å; F729-R780 PolarHBondContact O-NH1 2.92Å
730A95.5Very high95.2Very high6 Ų622.9 Ų22.95%0.0512%0.115CC..Hα-helixtrans-80.1-30.2-17900000113.5T672 R673 G726 I727 A728 N732T672-A730 HydrophobicContact CG2-CB 3.59Å; R673-A730 HydrophobicContact CG-CB 3.97Å; G726-A730 PolarHBondContact O-N 3.21Å; I727-A730 PolarHBondContact O-N 3.26Å; A728-A730 VanDerWaalsContact C-N 3.35Å; A728-A730 PolarHBondContact O-N 3.2Å; A730-N732 PolarHBondContact O-N 2.89Å; A730-N732 VanDerWaalsContact O-N 3.1Å; A730-N732 PolarHBondContact O-ND2 3.3Å
731L95.3Very high95.1Very high0 Ų022.8 Ų22.80%012%0.115CC..  trans-74.996.8179.1-56.6-177.4000110.9T672 M676 F686 I727 L740 R783T672-L731 HydrophobicContact CG2-CD2 3.3Å; T672-L731 HydrophobicContact CG2-CG 3.89Å; M676-L731 HydrophobicContact CG-CD2 3.9Å; M676-L731 HydrophobicContact SD-CD2 3.48Å; M676-L731 WeakPolarHBondContact SD-CD2 3.31Å; F686-L731 HydrophobicContact CE2-CD1 4.22Å; I727-L731 HydrophobicContact CG2-CD1 3.87Å; I727-L731 HydrophobicContact CG2-CG 4.24Å; I727-L731 WeakPolarHBondContact O-CG 3.34Å; I727-L731 PolarHBondContact O-N 3.02Å; I727-L731 VanDerWaalsContact O-N 3.14Å; L731-L740 HydrophobicContact CD1-CB 3.57Å; L731-L740 HydrophobicContact CD1-CD2 3.85Å; L731-L740 HydrophobicContact CD1-CG 4.22Å; L731-R783 VanDerWaalsContact O-CD 3.22Å; L731-R783 WeakPolarHBondContact O-CD 3.31Å; L731-R783 PolarHBondContact O-NH1 3.48Å
732N91Very high95Very high53 Ų5326.9 Ų26.928%0.28314%0.136SC..  trans-108.4-0.1-174.9-67.9-63.3000113.8A730 R780A730-N732 PolarHBondContact O-N 2.89Å; A730-N732 VanDerWaalsContact O-N 3.1Å; A730-N732 PolarHBondContact O-ND2 3.3Å; N732-R780 WeakPolarHBondContact OD1-CD 3.43Å
733T91.7Very high95Very high72 Ų7226.7 Ų26.744%0.44214%0.136SC..SBendtrans-103.2154.9176.967.10000110.7S736 Y737T733-S736 PolarHBondContact O-OG 2.66Å; T733-S736 WeakPolarHBondContact OG1-CB 3.47Å; T733-S736 PolarHBondContact OG1-N 2.96Å; T733-S736 PolarHBondContact OG1-OG 2.76Å; T733-Y737 VanDerWaalsContact O-CB 3.3Å; T733-Y737 WeakPolarHBondContact O-CB 3.24Å; T733-Y737 PolarHBondContact O-N 3.16Å; T733-Y737 VanDerWaalsContact O-N 3.09Å
734K91.6Very high95Very high70 Ų7026.6 Ų26.630%0.30414%0.135SC..Hα-helixtrans-55.2-54.9175177.8-171.2169.7-177.70111.1S736 Y737 T738 N785 D787K734-S736 PolarHBondContact O-N 3.25Å; K734-Y737 PolarHBondContact O-N 3.45Å; K734-T738 PolarHBondContact O-N 2.95Å; K734-T738 PolarHBondContact O-OG1 3.37Å; K734-N785 WeakPolarHBondContact CD-O 3.3Å; K734-N785 WeakPolarHBondContact CE-O 3.36Å; K734-D787 IonicContact NZ-OD1 3.84Å; K734-D787 PolarHBondContact NZ-OD1 2.86Å; K734-D787 IonicContact NZ-OD2 2.85Å; K734-D787 PolarHBondContact NZ-OD2 2.81Å
735T92.1Very high94.8Very high54 Ų5429.2 Ų29.233%0.33115%0.145SC..Hα-helixtrans-55.3-53.4-176.1-47.40000112E681 Y737 T738 M739E681-T735 HydrophobicContact CB-CG2 4.38Å; E681-T735 HydrophobicContact CG-CG2 3.98Å; T735-Y737 VanDerWaalsContact C-N 3.35Å; T735-Y737 PolarHBondContact O-N 2.6Å; T735-T738 WeakPolarHBondContact O-CB 3.19Å; T735-T738 PolarHBondContact O-N 3.47Å; T735-T738 VanDerWaalsContact O-N 3.14Å; T735-M739 HydrophobicContact CG2-CE 4.16Å; T735-M739 PolarHBondContact O-N 2.99Å; T735-M739 VanDerWaalsContact O-N 3.08Å
736S93.8Very high94.6Very high0 Ų030.2 Ų30.20%016%0.16CC..Hα-helixtrans-67.8-35.2-176.667.70000112.9M676 T733 K734 T738 M739 L740M676-S736 WeakPolarHBondContact SD-CB 3.44Å; M676-S736 PolarHBondContact SD-OG 3.26Å; T733-S736 PolarHBondContact O-OG 2.66Å; T733-S736 WeakPolarHBondContact OG1-CB 3.47Å; T733-S736 PolarHBondContact OG1-N 2.96Å; T733-S736 PolarHBondContact OG1-OG 2.76Å; K734-S736 PolarHBondContact O-N 3.25Å; S736-T738 VanDerWaalsContact C-N 3.34Å; S736-M739 PolarHBondContact O-N 2.84Å; S736-L740 PolarHBondContact O-N 3.25Å
737Y94.3Very high94.3Very high0 Ų032.7 Ų32.70%018%0.181CC..Hα-helixtrans-65.6-39173-174.5-83.6000111.7T733 K734 T735 L740 F741 L776 R783 L784 F786T733-Y737 VanDerWaalsContact O-CB 3.3Å; T733-Y737 WeakPolarHBondContact O-CB 3.24Å; T733-Y737 PolarHBondContact O-N 3.16Å; T733-Y737 VanDerWaalsContact O-N 3.09Å; K734-Y737 PolarHBondContact O-N 3.45Å; T735-Y737 VanDerWaalsContact C-N 3.35Å; T735-Y737 PolarHBondContact O-N 2.6Å; Y737-L740 PolarHBondContact O-N 3.44Å; Y737-F741 HydrophobicContact CD1-CB 4.46Å; Y737-F741 HydrophobicContact CE1-CB 4.06Å; Y737-F741 WeakPolarHBondContact O-CB 3.45Å; Y737-F741 PolarHBondContact O-N 2.9Å; Y737-L776 HydrophobicContact CE2-CD2 4.42Å; Y737-L776 PolarHBondContact OH-O 2.86Å; Y737-R783 HydrophobicContact CD2-CG 4.07Å; Y737-R783 HydrophobicContact CG-CB 4.49Å; Y737-R783 HydrophobicContact CG-CG 4.21Å; Y737-L784 HydrophobicContact CD1-CD2 3.68Å; Y737-L784 HydrophobicContact CD2-CD2 4.46Å; Y737-L784 HydrophobicContact CE1-CD2 3.12Å; Y737-L784 HydrophobicContact CE2-CD2 3.96Å; Y737-L784 HydrophobicContact CG-CD2 4.34Å; Y737-F786 HydrophobicContact CD1-CZ 4.49Å; Y737-F786 HydrophobicContact CE1-CZ 4.14Å
738T93Very high94.1Very high35 Ų3533.5 Ų33.522%0.21518%0.184CC..Hα-helixtrans-59.8-45.6175.1-60.10000111.1K734 T735 S736 L740 F741 D742K734-T738 PolarHBondContact O-N 2.95Å; K734-T738 PolarHBondContact O-OG1 3.37Å; T735-T738 WeakPolarHBondContact O-CB 3.19Å; T735-T738 PolarHBondContact O-N 3.47Å; T735-T738 VanDerWaalsContact O-N 3.14Å; S736-T738 VanDerWaalsContact C-N 3.34Å; T738-L740 VanDerWaalsContact C-N 3.31Å; T738-L740 PolarHBondContact O-N 3.39Å; T738-F741 PolarHBondContact O-N 2.86Å; T738-D742 VanDerWaalsContact CG2-OD2 3.32Å; T738-D742 WeakPolarHBondContact CG2-OD2 3.31Å; T738-D742 WeakPolarHBondContact O-CB 3.46Å; T738-D742 PolarHBondContact O-N 2.87Å
739M95Very high94Very high12 Ų1233.7 Ų33.76%0.05919%0.185CC..Hα-helixtrans-54.7-45.5174.5-64.1165.2165.900112.1L679 E683 F686 T735 S736 W743L679-M739 HydrophobicContact CD2-SD 4.01Å; E683-M739 HydrophobicContact CG-CE 3.78Å; E683-M739 HydrophobicContact CG-CG 4.28Å; F686-M739 HydrophobicContact CB-SD 4.19Å; F686-M739 HydrophobicContact CD1-CB 3.74Å; F686-M739 HydrophobicContact CD2-CB 4.41Å; F686-M739 HydrophobicContact CE1-CB 3.86Å; F686-M739 WeakPolarHBondContact CE1-O 3.15Å; F686-M739 HydrophobicContact CG-CB 4.03Å; F686-M739 HydrophobicContact CG-SD 4.3Å; F686-M739 HydrophobicContact CZ-CB 4.26Å; T735-M739 HydrophobicContact CG2-CE 4.16Å; T735-M739 PolarHBondContact O-N 2.99Å; T735-M739 VanDerWaalsContact O-N 3.08Å; S736-M739 PolarHBondContact O-N 2.84Å; M739-W743 VanDerWaalsContact O-CB 3.31Å; M739-W743 WeakPolarHBondContact O-CB 3.49Å; M739-W743 PolarHBondContact O-N 2.65Å
740L96Very high93.9Very high2 Ų232.4 Ų32.41%0.0118%0.183CC..Hα-helixtrans-64.2-42.4175.6174.666.6000112.3F686 M690 L724 I727 A728 L731 S736 Y737 T738 W743 I744 L776F686-L740 HydrophobicContact CZ-CB 4Å; F686-L740 HydrophobicContact CZ-CD1 4.37Å; M690-L740 HydrophobicContact CE-CD1 4.28Å; L724-L740 HydrophobicContact CD2-CD1 4.29Å; I727-L740 HydrophobicContact CG2-CD1 4.33Å; A728-L740 HydrophobicContact CB-CD2 3.73Å; L731-L740 HydrophobicContact CD1-CB 3.57Å; L731-L740 HydrophobicContact CD1-CD2 3.85Å; L731-L740 HydrophobicContact CD1-CG 4.22Å; S736-L740 PolarHBondContact O-N 3.25Å; Y737-L740 PolarHBondContact O-N 3.44Å; T738-L740 VanDerWaalsContact C-N 3.31Å; T738-L740 PolarHBondContact O-N 3.39Å; L740-W743 HydrophobicContact CD1-CE3 4.32Å; L740-W743 PolarHBondContact O-N 2.9Å; L740-I744 WeakPolarHBondContact O-CG2 3.44Å; L740-I744 PolarHBondContact O-N 3.19Å; L740-L776 HydrophobicContact CD2-CD2 4.13Å
741F94.9Very high93.8Very high1 Ų132.3 Ų32.30%0.00418%0.182CC..Hα-helixtrans-65.6-43.9-178.5-175-103.4000111.4Y737 T738 W743 I744 Y745 N792 L795 L796Y737-F741 HydrophobicContact CD1-CB 4.46Å; Y737-F741 HydrophobicContact CE1-CB 4.06Å; Y737-F741 WeakPolarHBondContact O-CB 3.45Å; Y737-F741 PolarHBondContact O-N 2.9Å; T738-F741 PolarHBondContact O-N 2.86Å; F741-W743 VanDerWaalsContact C-N 3.31Å; F741-W743 PolarHBondContact O-N 3.4Å; F741-I744 WeakPolarHBondContact O-CG2 3.37Å; F741-I744 PolarHBondContact O-N 3.08Å; F741-Y745 HydrophobicContact CE1-CD1 4.06Å; F741-Y745 HydrophobicContact CE1-CG 4.26Å; F741-Y745 HydrophobicContact CE2-CG 4.39Å; F741-Y745 HydrophobicContact CZ-CD1 4.07Å; F741-Y745 HydrophobicContact CZ-CD2 4.47Å; F741-Y745 AromaticContact CZ-CG 3.88Å; F741-Y745 HydrophobicContact CZ-CG 3.88Å; F741-Y745 WeakPolarHBondContact O-CB 3.49Å; F741-Y745 PolarHBondContact O-N 3.13Å; F741-N792 HydrophobicContact CD1-CB 3.96Å; F741-N792 HydrophobicContact CE1-CB 3.57Å; F741-N792 HydrophobicContact CZ-CB 4.4Å; F741-L795 HydrophobicContact CZ-CB 4.32Å; F741-L796 HydrophobicContact CD2-CD1 4.36Å; F741-L796 HydrophobicContact CE2-CB 3.74Å; F741-L796 HydrophobicContact CE2-CD1 3.9Å; F741-L796 HydrophobicContact CE2-CG 4.32Å; F741-L796 HydrophobicContact CZ-CB 4.07Å
742D94Very high93.8Very high85 Ų8532.4 Ų32.446%0.45518%0.182SC..Hα-helixtrans-68.4-31.9178.5-65.4-18.5000111.4T738 Y745T738-D742 VanDerWaalsContact CG2-OD2 3.32Å; T738-D742 WeakPolarHBondContact CG2-OD2 3.31Å; T738-D742 WeakPolarHBondContact O-CB 3.46Å; T738-D742 PolarHBondContact O-N 2.87Å; D742-Y745 VanDerWaalsContact O-O 3.1Å
743W96.1Very high94Very high34 Ų3430.7 Ų30.713%0.12917%0.173CC..Hα-helixtrans-69.4-40.3172.3178.289.5000113.2F686 M690 L693 T694 F697 L724 M739 L740 F741 Y748F686-W743 HydrophobicContact CE1-CB 4.08Å; F686-W743 HydrophobicContact CE1-CG 4.46Å; M690-W743 HydrophobicContact CB-CD2 4.47Å; M690-W743 HydrophobicContact CB-CZ2 4.35Å; M690-W743 HydrophobicContact CE-CD2 3.6Å; M690-W743 HydrophobicContact CE-CE3 3.51Å; M690-W743 HydrophobicContact CE-CG 4.42Å; M690-W743 HydrophobicContact CE-CH2 3.57Å; M690-W743 HydrophobicContact CE-CZ2 3.64Å; M690-W743 HydrophobicContact CE-CZ3 3.52Å; L693-W743 HydrophobicContact CB-CH2 4.01Å; L693-W743 HydrophobicContact CB-CZ2 4Å; T694-W743 PolarHBondContact OG1-NE1 3.48Å; F697-W743 AromaticContact CD2-CH2 3.71Å; F697-W743 HydrophobicContact CD2-CH2 3.71Å; F697-W743 HydrophobicContact CD2-CZ2 4.43Å; F697-W743 AromaticContact CE2-CH2 3.76Å; F697-W743 HydrophobicContact CE2-CH2 3.76Å; F697-W743 HydrophobicContact CE2-CZ3 4.25Å; L724-W743 HydrophobicContact CD1-CZ3 4.32Å; L724-W743 HydrophobicContact CD2-CE3 4.37Å; L724-W743 HydrophobicContact CD2-CH2 3.96Å; L724-W743 HydrophobicContact CD2-CZ3 3.47Å; L724-W743 VanDerWaalsContact CD2-CZ3 3.47Å; L724-W743 HydrophobicContact CG-CZ3 4.49Å; M739-W743 VanDerWaalsContact O-CB 3.31Å; M739-W743 WeakPolarHBondContact O-CB 3.49Å; M739-W743 PolarHBondContact O-N 2.65Å; L740-W743 HydrophobicContact CD1-CE3 4.32Å; L740-W743 PolarHBondContact O-N 2.9Å; F741-W743 VanDerWaalsContact C-N 3.31Å; F741-W743 PolarHBondContact O-N 3.4Å; W743-Y748 HydrophobicContact CD2-CD2 4.45Å; W743-Y748 HydrophobicContact CD2-CE2 4.41Å; W743-Y748 AromaticContact CE2-CE2 3.98Å; W743-Y748 HydrophobicContact CE3-CD2 4.29Å; W743-Y748 AromaticContact CH2-CD2 3.94Å; W743-Y748 HydrophobicContact CH2-CD2 3.94Å; W743-Y748 HydrophobicContact CH2-CE2 4.18Å; W743-Y748 HydrophobicContact CZ2-CD2 4.12Å; W743-Y748 AromaticContact CZ2-CE2 3.87Å; W743-Y748 HydrophobicContact CZ2-CE2 3.87Å; W743-Y748 HydrophobicContact CZ3-CD2 4.01Å
744I96.3Very high94Very high1 Ų133.3 Ų33.31%0.00518%0.175CC..Hα-helixtrans-86.1-33.4-174.7-158.2179.2000113.4L724 L740 F741 A747 Y748 L749 L776L724-I744 HydrophobicContact CD1-CD1 3.9Å; L740-I744 WeakPolarHBondContact O-CG2 3.44Å; L740-I744 PolarHBondContact O-N 3.19Å; F741-I744 WeakPolarHBondContact O-CG2 3.37Å; F741-I744 PolarHBondContact O-N 3.08Å; I744-A747 PolarHBondContact O-N 3.22Å; I744-Y748 PolarHBondContact O-N 3.04Å; I744-L749 HydrophobicContact CD1-CD2 3.82Å; I744-L749 HydrophobicContact CD1-CG 4.25Å; I744-L749 HydrophobicContact CG1-CD2 4.26Å; I744-L749 HydrophobicContact CG1-CG 4.13Å; I744-L749 HydrophobicContact CG2-CD1 4.44Å; I744-L749 HydrophobicContact CG2-CG 4.32Å; I744-L749 PolarHBondContact O-N 3.28Å; I744-L776 HydrophobicContact CD1-CD1 4.27Å
745Y94.5Very high94.1Very high56 Ų5630 Ų3022%0.2216%0.16CC..THydrogen-bonded Turntrans-108133.5-176.7174.8-88.6000110.6F741 D742 L749 L795 E799F741-Y745 HydrophobicContact CE1-CD1 4.06Å; F741-Y745 HydrophobicContact CE1-CG 4.26Å; F741-Y745 HydrophobicContact CE2-CG 4.39Å; F741-Y745 HydrophobicContact CZ-CD1 4.07Å; F741-Y745 HydrophobicContact CZ-CD2 4.47Å; F741-Y745 AromaticContact CZ-CG 3.88Å; F741-Y745 HydrophobicContact CZ-CG 3.88Å; F741-Y745 WeakPolarHBondContact O-CB 3.49Å; F741-Y745 PolarHBondContact O-N 3.13Å; D742-Y745 VanDerWaalsContact O-O 3.1Å; Y745-L749 HydrophobicContact CD2-CD1 4.03Å; Y745-L795 HydrophobicContact CE1-CB 4.32Å; Y745-L795 HydrophobicContact CE1-CD1 3.68Å; Y745-L795 HydrophobicContact CE1-CG 4.46Å; Y745-L795 HydrophobicContact CE2-CB 4.35Å; Y745-L795 WeakPolarHBondContact OH-CD2 3.37Å; Y745-E799 HydrophobicContact CD2-CG 4.06Å; Y745-E799 HydrophobicContact CE2-CG 3.96Å
746P92.5Very high94.2Very high86 Ų8627.4 Ų27.456%0.55814%0.144SC*.THydrogen-bonded Turncis-92.30.73.135.7-35.6000114.3P750P746-P750 WeakPolarHBondContact O-CD 3.42Å; P746-P750 VanDerWaalsContact O-CG 3.29Å; P746-P750 WeakPolarHBondContact O-CG 3.39Å
747A91.6Very high94.2Very high52 Ų5232.4 Ų32.443%0.4317%0.167SC..THydrogen-bonded Turntrans-66.7-45.6-165.400000114.2I744I744-A747 PolarHBondContact O-N 3.22Å
748Y95Very high94.1Very high16 Ų1636.2 Ų36.26%0.06318%0.182CC..THydrogen-bonded Turntrans-110.8-25-163.8-57.2-45000114.6T694 F697 E698 L701 W743 I744 P750 V751 L752T694-Y748 WeakPolarHBondContact CG2-OH 3.47Å; F697-Y748 HydrophobicContact CB-CD1 3.57Å; F697-Y748 HydrophobicContact CB-CE1 3.55Å; F697-Y748 HydrophobicContact CB-CG 4.1Å; F697-Y748 AromaticContact CD1-CD1 3.83Å; F697-Y748 HydrophobicContact CD1-CD1 3.83Å; F697-Y748 AromaticContact CD1-CG 3.93Å; F697-Y748 HydrophobicContact CD1-CG 3.93Å; F697-Y748 HydrophobicContact CD2-CD1 4.42Å; F697-Y748 HydrophobicContact CD2-CD2 4.23Å; F697-Y748 HydrophobicContact CD2-CG 4.1Å; F697-Y748 HydrophobicContact CE1-CG 4.38Å; F697-Y748 AromaticContact CG-CD1 3.7Å; F697-Y748 HydrophobicContact CG-CD1 3.7Å; F697-Y748 HydrophobicContact CG-CD2 4.3Å; F697-Y748 HydrophobicContact CG-CE1 4.17Å; F697-Y748 AromaticContact CG-CG 3.78Å; F697-Y748 HydrophobicContact CG-CG 3.78Å; E698-Y748 VanDerWaalsContact OE1-CE1 3.31Å; E698-Y748 WeakPolarHBondContact OE1-CE1 3.29Å; E698-Y748 PolarHBondContact OE1-OH 3Å; L701-Y748 HydrophobicContact CD1-CD1 4.3Å; L701-Y748 HydrophobicContact CD1-CE1 4.06Å; W743-Y748 HydrophobicContact CD2-CD2 4.45Å; W743-Y748 HydrophobicContact CD2-CE2 4.41Å; W743-Y748 AromaticContact CE2-CE2 3.98Å; W743-Y748 HydrophobicContact CE3-CD2 4.29Å; W743-Y748 AromaticContact CH2-CD2 3.94Å; W743-Y748 HydrophobicContact CH2-CD2 3.94Å; W743-Y748 HydrophobicContact CH2-CE2 4.18Å; W743-Y748 HydrophobicContact CZ2-CD2 4.12Å; W743-Y748 AromaticContact CZ2-CE2 3.87Å; W743-Y748 HydrophobicContact CZ2-CE2 3.87Å; W743-Y748 HydrophobicContact CZ3-CD2 4.01Å; I744-Y748 PolarHBondContact O-N 3.04Å; Y748-P750 VanDerWaalsContact C-CD 3.49Å; Y748-V751 WeakPolarHBondContact O-CB 3.16Å; Y748-V751 PolarHBondContact O-N 3.4Å; Y748-L752 PolarHBondContact O-N 2.88Å
749L94.3Very high94.1Very high5 Ų535 Ų353%0.02617%0.173CC..Hα-helixtrans-55.1-40.9173.4-75.3178.2000113.8I744 Y745 V751 L752 Q753 L776 E799I744-L749 HydrophobicContact CD1-CD2 3.82Å; I744-L749 HydrophobicContact CD1-CG 4.25Å; I744-L749 HydrophobicContact CG1-CD2 4.26Å; I744-L749 HydrophobicContact CG1-CG 4.13Å; I744-L749 HydrophobicContact CG2-CD1 4.44Å; I744-L749 HydrophobicContact CG2-CG 4.32Å; I744-L749 PolarHBondContact O-N 3.28Å; Y745-L749 HydrophobicContact CD2-CD1 4.03Å; L749-V751 PolarHBondContact O-N 2.81Å; L749-L752 HydrophobicContact CD2-CD1 4.3Å; L749-L752 PolarHBondContact O-N 3.26Å; L749-Q753 PolarHBondContact O-N 2.87Å; L749-Q753 VanDerWaalsContact O-N 3.07Å; L749-L776 HydrophobicContact CD2-CD1 4.2Å; L749-E799 HydrophobicContact CD1-CB 4.11Å; L749-E799 HydrophobicContact CD1-CG 4.14Å
750P93.5Very high93.9Very high41 Ų4137.5 Ų37.527%0.26618%0.183SC..Hα-helixtrans-61-30175.6-26.436.7000114P746 Y748 Q753 R754P746-P750 WeakPolarHBondContact O-CD 3.42Å; P746-P750 VanDerWaalsContact O-CG 3.29Å; P746-P750 WeakPolarHBondContact O-CG 3.39Å; Y748-P750 VanDerWaalsContact C-CD 3.49Å; P750-Q753 PolarHBondContact O-N 3.48Å; P750-R754 WeakPolarHBondContact O-CG 2.93Å; P750-R754 PolarHBondContact O-N 3.42Å
751V93.8Very high93.6Very high3 Ų338.7 Ų38.72%0.01820%0.195CC..Hα-helixtrans-66.4-46.3177.4-174.50000110.3V700 L701 F704 L717 Y748 L749 Q753 R754 A755V700-V751 HydrophobicContact CG1-CG1 3.8Å; L701-V751 HydrophobicContact CD1-CG2 4.49Å; L701-V751 HydrophobicContact CD2-CG2 3.37Å; L701-V751 HydrophobicContact CG-CG2 3.9Å; F704-V751 HydrophobicContact CD2-CG1 4.23Å; F704-V751 HydrophobicContact CE2-CG1 4.26Å; L717-V751 HydrophobicContact CD2-CG1 4.03Å; Y748-V751 WeakPolarHBondContact O-CB 3.16Å; Y748-V751 PolarHBondContact O-N 3.4Å; L749-V751 PolarHBondContact O-N 2.81Å; V751-Q753 VanDerWaalsContact C-N 3.28Å; V751-Q753 PolarHBondContact O-N 3.31Å; V751-R754 PolarHBondContact O-N 3.27Å; V751-A755 PolarHBondContact O-N 3.04Å
752L95.2Very high93.5Very high2 Ų242.1 Ų42.11%0.0121%0.211CC..Hα-helixtrans-61.9-37.9176.2-62.3179.9000111.7F697 L717 Y748 L749 A755 I756 I769 L772 M803F697-L752 HydrophobicContact CE1-CD2 4.31Å; F697-L752 HydrophobicContact CZ-CD2 4.43Å; L717-L752 HydrophobicContact CD2-CD2 4.19Å; Y748-L752 PolarHBondContact O-N 2.88Å; L749-L752 HydrophobicContact CD2-CD1 4.3Å; L749-L752 PolarHBondContact O-N 3.26Å; L752-A755 WeakPolarHBondContact O-CB 3.43Å; L752-A755 PolarHBondContact O-N 2.93Å; L752-I756 PolarHBondContact O-N 3.44Å; L752-I756 VanDerWaalsContact O-N 3.12Å; L752-I769 HydrophobicContact CB-CG2 3.89Å; L752-I769 HydrophobicContact CD2-CG1 4.37Å; L752-I769 HydrophobicContact CD2-CG2 4.35Å; L752-L772 HydrophobicContact CD1-CD2 3.72Å; L752-M803 HydrophobicContact CB-CE 3.84Å
753Q94.3Very high93.4Very high17 Ų1739.7 Ų39.78%0.07920%0.2CC..Hα-helixtrans-65.3-45.8177.1-162.3-151.4-22.300111.9L749 P750 V751 A755 I756 E757 K802 M803 T806L749-Q753 PolarHBondContact O-N 2.87Å; L749-Q753 VanDerWaalsContact O-N 3.07Å; P750-Q753 PolarHBondContact O-N 3.48Å; V751-Q753 VanDerWaalsContact C-N 3.28Å; V751-Q753 PolarHBondContact O-N 3.31Å; Q753-A755 PolarHBondContact O-N 3.04Å; Q753-I756 PolarHBondContact O-N 3.36Å; Q753-E757 PolarHBondContact O-N 3.23Å; Q753-K802 VanDerWaalsContact NE2-CE 3.31Å; Q753-M803 HydrophobicContact CB-CE 4.19Å; Q753-T806 PolarHBondContact NE2-OG1 3.01Å
754R92.8Very high93.1Very high128 Ų12840.7 Ų40.748%0.48322%0.216SC..Hα-helixtrans-61.2-34.5175.1-72177-177.7166.33.3112F704 P750 V751 E757 R758F704-R754 HydrophobicContact CE1-CB 3.67Å; F704-R754 HydrophobicContact CE2-CB 4.49Å; F704-R754 HydrophobicContact CZ-CB 3.53Å; P750-R754 WeakPolarHBondContact O-CG 2.93Å; P750-R754 PolarHBondContact O-N 3.42Å; V751-R754 PolarHBondContact O-N 3.27Å; R754-E757 PolarHBondContact O-N 2.96Å; R754-R758 WeakPolarHBondContact O-CB 3.21Å; R754-R758 PolarHBondContact O-N 3.43Å
755A93.6Very high92.9Very high0 Ų040.7 Ų40.70%022%0.215CC..Hα-helixtrans-64.3-43.3176.100000111.9F704 L717 V751 L752 Q753 E757 R758 W759 I769F704-A755 HydrophobicContact CE2-CB 4.46Å; L717-A755 HydrophobicContact CD1-CB 3.75Å; V751-A755 PolarHBondContact O-N 3.04Å; L752-A755 WeakPolarHBondContact O-CB 3.43Å; L752-A755 PolarHBondContact O-N 2.93Å; Q753-A755 PolarHBondContact O-N 3.04Å; A755-E757 VanDerWaalsContact C-N 3.34Å; A755-R758 PolarHBondContact O-N 3.44Å; A755-W759 HydrophobicContact CB-CE3 3.84Å; A755-W759 HydrophobicContact CB-CZ3 3.7Å; A755-W759 VanDerWaalsContact O-CE3 3.26Å; A755-W759 PolarHBondContact O-N 3.35Å; A755-I769 HydrophobicContact CB-CD1 3.77Å
756I94.7Very high92.9Very high0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-62.7-41.2174.3-80.2169.8000111.6L752 Q753 R758 Y760 T766 I769 L770 M803 T806 Y807L752-I756 PolarHBondContact O-N 3.44Å; L752-I756 VanDerWaalsContact O-N 3.12Å; Q753-I756 PolarHBondContact O-N 3.36Å; I756-R758 VanDerWaalsContact C-N 3.34Å; I756-R758 PolarHBondContact O-N 3.34Å; I756-Y760 WeakPolarHBondContact O-CA 3.44Å; I756-Y760 WeakPolarHBondContact O-CB 3.2Å; I756-Y760 PolarHBondContact O-N 2.91Å; I756-Y760 VanDerWaalsContact O-N 3.15Å; I756-T766 HydrophobicContact CG1-CG2 4.43Å; I756-I769 HydrophobicContact CD1-CB 4.14Å; I756-I769 HydrophobicContact CD1-CG2 3.5Å; I756-I769 VanDerWaalsContact CD1-CG2 3.5Å; I756-I769 HydrophobicContact CG1-CB 4.36Å; I756-I769 HydrophobicContact CG1-CD1 4.43Å; I756-I769 HydrophobicContact CG1-CG2 4.02Å; I756-L770 HydrophobicContact CD1-CD2 3.76Å; I756-L770 HydrophobicContact CD1-CG 4.25Å; I756-M803 HydrophobicContact CD1-CE 4.35Å; I756-M803 HydrophobicContact CD1-CG 3.28Å; I756-M803 HydrophobicContact CD1-SD 3.38Å; I756-M803 WeakPolarHBondContact CD1-SD 3.48Å; I756-T806 HydrophobicContact CG2-CG2 4.14Å; I756-Y807 HydrophobicContact CG2-CD2 4.15Å; I756-Y807 HydrophobicContact CG2-CG 4.43Å
757E93.3Very high93Very high104 Ų10434.2 Ų34.249%0.48618%0.18SC..Hα-helixtrans-61.4-42.8177-171.6174-167.300111.9Q753 R754 A755 T806Q753-E757 PolarHBondContact O-N 3.23Å; R754-E757 PolarHBondContact O-N 2.96Å; A755-E757 VanDerWaalsContact C-N 3.34Å; E757-T806 HydrophobicContact CB-CG2 3.79Å; E757-T806 HydrophobicContact CG-CG2 4.18Å
758R91.6Very high93.2Very high80 Ų8031.9 Ų31.930%0.30216%0.161SC..Hα-helixtrans-77.6-38.8-175.9-169.9170.8-174.7157.57.4113.9F704 N707 R754 A755 I756F704-R758 PolarHBondContact O-NH1 3.13Å; N707-R758 PolarHBondContact OD1-NH2 3.04Å; R754-R758 WeakPolarHBondContact O-CB 3.21Å; R754-R758 PolarHBondContact O-N 3.43Å; A755-R758 PolarHBondContact O-N 3.44Å; I756-R758 VanDerWaalsContact C-N 3.34Å; I756-R758 PolarHBondContact O-N 3.34Å
759W92.7Very high93.3Very high10 Ų1031.2 Ų31.24%0.03816%0.158CC..SBendtrans-118.532.3-172.2-57.9-68.9000113.2F704 V713 L717 A755 G761 E762 C765 T766F704-W759 HydrophobicContact CE2-CH2 4.13Å; F704-W759 HydrophobicContact CE2-CZ3 4.05Å; F704-W759 HydrophobicContact CZ-CH2 4.29Å; F704-W759 HydrophobicContact CZ-CZ3 4.17Å; V713-W759 HydrophobicContact CG1-CH2 3.78Å; L717-W759 HydrophobicContact CD1-CH2 4.22Å; L717-W759 HydrophobicContact CD1-CZ3 3.65Å; A755-W759 HydrophobicContact CB-CE3 3.84Å; A755-W759 HydrophobicContact CB-CZ3 3.7Å; A755-W759 VanDerWaalsContact O-CE3 3.26Å; A755-W759 PolarHBondContact O-N 3.35Å; W759-G761 PolarHBondContact O-N 3.38Å; W759-G761 VanDerWaalsContact O-N 3.1Å; W759-E762 HydrophobicContact CB-CB 4.36Å; W759-E762 PolarHBondContact O-N 3.46Å; W759-C765 HydrophobicContact CB-CB 4.31Å; W759-T766 WeakPolarHBondContact O-CG2 3.4Å
760Y91.2Very high93.5Very high65 Ų6531 Ų3126%0.25516%0.157SC..THydrogen-bonded Turntrans-53.1-34.7-177.569.2-92.2000113.6I756 E762 Q810 S813 L814I756-Y760 WeakPolarHBondContact O-CA 3.44Å; I756-Y760 WeakPolarHBondContact O-CB 3.2Å; I756-Y760 PolarHBondContact O-N 2.91Å; I756-Y760 VanDerWaalsContact O-N 3.15Å; Y760-E762 VanDerWaalsContact C-N 3.28Å; Y760-E762 PolarHBondContact O-N 2.95Å; Y760-Q810 HydrophobicContact CD1-CB 3.87Å; Y760-Q810 HydrophobicContact CD1-CG 4.29Å; Y760-Q810 HydrophobicContact CD2-CB 3.87Å; Y760-Q810 HydrophobicContact CE1-CB 4.41Å; Y760-Q810 HydrophobicContact CE2-CB 4.43Å; Y760-Q810 WeakPolarHBondContact CE2-O 3.2Å; Y760-Q810 HydrophobicContact CG-CB 3.57Å; Y760-Q810 HydrophobicContact CG-CG 4.42Å; Y760-S813 PolarHBondContact OH-OG 2.76Å; Y760-L814 HydrophobicContact CE2-CD2 4.12Å; Y760-L814 HydrophobicContact CE2-CG 4.38Å
761G89.9Confident93.7Very high26 Ų2632.1 Ų32.127%0.26816%0.158SC..THydrogen-bonded Turntrans-79.50.5179.400000115.3W759 P763W759-G761 PolarHBondContact O-N 3.38Å; W759-G761 VanDerWaalsContact O-N 3.1Å; G761-P763 WeakPolarHBondContact O-CD 3.36Å
762E92.2Very high93.9Very high74 Ų7432 Ų3235%0.34616%0.157SC..  trans-115.395.8-177.9-64-170.9-147.100111.8K714 W759 Y760 A764 C765 T766K714-E762 WeakPolarHBondContact CD-OE2 3.34Å; K714-E762 WeakPolarHBondContact CE-OE2 3.32Å; K714-E762 VanDerWaalsContact NZ-CD 3.31Å; K714-E762 IonicContact NZ-OE1 3.05Å; K714-E762 PolarHBondContact NZ-OE1 3.15Å; K714-E762 IonicContact NZ-OE2 3.75Å; K714-E762 PolarHBondContact NZ-OE2 3.34Å; W759-E762 HydrophobicContact CB-CB 4.36Å; W759-E762 PolarHBondContact O-N 3.46Å; Y760-E762 VanDerWaalsContact C-N 3.28Å; Y760-E762 PolarHBondContact O-N 2.95Å; E762-A764 PolarHBondContact O-N 3.47Å; E762-A764 VanDerWaalsContact O-N 3.11Å; E762-C765 PolarHBondContact O-N 3.1Å; E762-T766 PolarHBondContact O-N 2.88Å; E762-T766 VanDerWaalsContact O-N 3.1Å; E762-T766 PolarHBondContact O-OG1 3.42Å; E762-T766 VanDerWaalsContact O-OG1 3.13Å
763P92.3Very high93.9Very high34 Ų3432.3 Ų32.322%0.22116%0.159CC..Hα-helixtrans-58.7-27-178.3-2735.1000114.5G761 C765 T766 T767 P824G761-P763 WeakPolarHBondContact O-CD 3.36Å; P763-C765 VanDerWaalsContact C-N 3.25Å; P763-C765 PolarHBondContact O-N 3.36Å; P763-T766 WeakPolarHBondContact CA-OG1 3.37Å; P763-T767 WeakPolarHBondContact O-CB 3.4Å; P763-T767 PolarHBondContact O-N 3.15Å; P763-T767 PolarHBondContact O-OG1 3.19Å; P763-P824 WeakPolarHBondContact CB-O 3.38Å; P763-P824 WeakPolarHBondContact CG-O 3.34Å
764A90Very high94.1Very high55 Ų5532.1 Ų32.146%0.45516%0.16SC..Hα-helixtrans-60.3-36.3177.400000112.2V658 I718 E762 P768V658-A764 HydrophobicContact CG1-CB 4.49Å; I718-A764 WeakPolarHBondContact CD1-O 3.33Å; E762-A764 PolarHBondContact O-N 3.47Å; E762-A764 VanDerWaalsContact O-N 3.11Å; A764-P768 VanDerWaalsContact O-CD 3.24Å; A764-P768 WeakPolarHBondContact O-CD 3.23Å; A764-P768 VanDerWaalsContact O-CG 3.3Å; A764-P768 WeakPolarHBondContact O-CG 3.26Å
765C91.9Very high94.2Very high0 Ų026.4 Ų26.40%014%0.139CC..Hα-helixtrans-88.2-49.1177.6-173.30000112.3K714 I718 W759 E762 P763 P768 I769K714-C765 HydrophobicContact CD-CB 4.32Å; K714-C765 HydrophobicContact CG-CB 3.87Å; I718-C765 HydrophobicContact CD1-CB 4.38Å; I718-C765 HydrophobicContact CG1-CB 4.34Å; W759-C765 HydrophobicContact CB-CB 4.31Å; E762-C765 PolarHBondContact O-N 3.1Å; P763-C765 VanDerWaalsContact C-N 3.25Å; P763-C765 PolarHBondContact O-N 3.36Å; C765-P768 WeakPolarHBondContact O-CD 3.42Å; C765-I769 WeakPolarHBondContact O-CG1 3.36Å
766T94.5Very high94.3Very high0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-73.2-36.8-172.852.60000113.4I756 W759 E762 P763 I769 L770 Y807I756-T766 HydrophobicContact CG1-CG2 4.43Å; W759-T766 WeakPolarHBondContact O-CG2 3.4Å; E762-T766 PolarHBondContact O-N 2.88Å; E762-T766 VanDerWaalsContact O-N 3.1Å; E762-T766 PolarHBondContact O-OG1 3.42Å; E762-T766 VanDerWaalsContact O-OG1 3.13Å; P763-T766 WeakPolarHBondContact CA-OG1 3.37Å; T766-I769 PolarHBondContact O-N 3.21Å; T766-L770 WeakPolarHBondContact O-CB 3.27Å; T766-L770 WeakPolarHBondContact O-CG 3.26Å; T766-L770 PolarHBondContact O-N 3.41Å; T766-Y807 HydrophobicContact CG2-CD2 4.44Å; T766-Y807 HydrophobicContact CG2-CE2 4.21Å
767T95.3Very high94.3Very high7 Ų726.7 Ų26.74%0.04314%0.14CC..Hα-helixtrans-60.3-48.7-177.3-65.10000112.5P763 I769 K771 I832P763-T767 WeakPolarHBondContact O-CB 3.4Å; P763-T767 PolarHBondContact O-N 3.15Å; P763-T767 PolarHBondContact O-OG1 3.19Å; T767-I769 VanDerWaalsContact C-N 3.34Å; T767-I769 PolarHBondContact O-N 3.4Å; T767-K771 HydrophobicContact CG2-CD 4.07Å; T767-K771 HydrophobicContact CG2-CG 4.4Å; T767-K771 VanDerWaalsContact O-CB 3.31Å; T767-K771 WeakPolarHBondContact O-CB 3.37Å; T767-K771 VanDerWaalsContact O-CG 3.26Å; T767-K771 WeakPolarHBondContact O-CG 3.38Å; T767-K771 PolarHBondContact O-N 2.84Å; T767-I832 HydrophobicContact CG2-CD1 3.85Å
768P95.9Very high94.4Very high3 Ų325.1 Ų25.12%0.01913%0.133CC..Hα-helixtrans-55.5-45173.3-23.729.8000113.5I718 A721 R722 A764 C765 K771 L772I718-P768 HydrophobicContact CG2-CG 3.99Å; A721-P768 HydrophobicContact CB-CB 3.81Å; R722-P768 HydrophobicContact CG-CB 4.41Å; A764-P768 VanDerWaalsContact O-CD 3.24Å; A764-P768 WeakPolarHBondContact O-CD 3.23Å; A764-P768 VanDerWaalsContact O-CG 3.3Å; A764-P768 WeakPolarHBondContact O-CG 3.26Å; C765-P768 WeakPolarHBondContact O-CD 3.42Å; P768-K771 PolarHBondContact O-N 3.24Å; P768-L772 PolarHBondContact O-N 3.44Å
769I97.3Very high94.5Very high1 Ų123.4 Ų23.41%0.00513%0.13CC..Hα-helixtrans-66.6-47-177.7-58.9172.6000110.8A721 L752 A755 I756 C765 T766 T767 K771 L772 L773 M803A721-I769 HydrophobicContact CB-CG1 3.97Å; L752-I769 HydrophobicContact CB-CG2 3.89Å; L752-I769 HydrophobicContact CD2-CG1 4.37Å; L752-I769 HydrophobicContact CD2-CG2 4.35Å; A755-I769 HydrophobicContact CB-CD1 3.77Å; I756-I769 HydrophobicContact CD1-CB 4.14Å; I756-I769 HydrophobicContact CD1-CG2 3.5Å; I756-I769 VanDerWaalsContact CD1-CG2 3.5Å; I756-I769 HydrophobicContact CG1-CB 4.36Å; I756-I769 HydrophobicContact CG1-CD1 4.43Å; I756-I769 HydrophobicContact CG1-CG2 4.02Å; C765-I769 WeakPolarHBondContact O-CG1 3.36Å; T766-I769 PolarHBondContact O-N 3.21Å; T767-I769 VanDerWaalsContact C-N 3.34Å; T767-I769 PolarHBondContact O-N 3.4Å; I769-K771 VanDerWaalsContact C-N 3.27Å; I769-K771 PolarHBondContact O-N 2.93Å; I769-L772 WeakPolarHBondContact O-CB 3.26Å; I769-L772 PolarHBondContact O-N 3.33Å; I769-L772 VanDerWaalsContact O-N 3.16Å; I769-L773 PolarHBondContact O-N 3.43Å; I769-M803 HydrophobicContact CG2-CE 4.45Å; I769-M803 HydrophobicContact CG2-SD 4.08Å
770L97.4Very high94.4Very high2 Ų225.6 Ų25.61%0.0114%0.138CC..Hα-helixtrans-63.3-35.2176.6-67.8175.5000111.8I756 T766 L773 A774 Y807 I832I756-L770 HydrophobicContact CD1-CD2 3.76Å; I756-L770 HydrophobicContact CD1-CG 4.25Å; T766-L770 WeakPolarHBondContact O-CB 3.27Å; T766-L770 WeakPolarHBondContact O-CG 3.26Å; T766-L770 PolarHBondContact O-N 3.41Å; L770-L773 PolarHBondContact O-N 3Å; L770-A774 WeakPolarHBondContact O-CB 3.49Å; L770-A774 PolarHBondContact O-N 2.82Å; L770-Y807 HydrophobicContact CD1-CD1 3.89Å; L770-Y807 HydrophobicContact CD1-CD2 4.03Å; L770-Y807 HydrophobicContact CD1-CE1 3.8Å; L770-Y807 HydrophobicContact CD1-CE2 3.96Å; L770-Y807 HydrophobicContact CD1-CG 3.99Å; L770-Y807 HydrophobicContact CD2-CG 4.32Å; L770-I832 HydrophobicContact CB-CB 4.33Å; L770-I832 HydrophobicContact CB-CG2 3.65Å; L770-I832 WeakPolarHBondContact O-CG2 3.3Å
771K97.3Very high94.3Very high64 Ų6426.9 Ų26.928%0.27816%0.156SC..Hα-helixtrans-69.9-34174.7-78.9-175.5172.9-166.20113T767 P768 I769 E775 I832T767-K771 HydrophobicContact CG2-CD 4.07Å; T767-K771 HydrophobicContact CG2-CG 4.4Å; T767-K771 VanDerWaalsContact O-CB 3.31Å; T767-K771 WeakPolarHBondContact O-CB 3.37Å; T767-K771 VanDerWaalsContact O-CG 3.26Å; T767-K771 WeakPolarHBondContact O-CG 3.38Å; T767-K771 PolarHBondContact O-N 2.84Å; P768-K771 PolarHBondContact O-N 3.24Å; I769-K771 VanDerWaalsContact C-N 3.27Å; I769-K771 PolarHBondContact O-N 2.93Å; K771-E775 WeakPolarHBondContact O-CB 3.36Å; K771-E775 PolarHBondContact O-N 2.89Å; K771-E775 VanDerWaalsContact O-N 3.14Å; K771-I832 HydrophobicContact CG-CD1 3.96Å; K771-I832 HydrophobicContact CG-CG1 4.36Å; K771-I832 HydrophobicContact CG-CG2 4.28Å
772L97.6Very high94.4Very high1 Ų132.7 Ų32.71%0.00518%0.177CC..Hα-helixtrans-63.9-47.7169.8168.661.5000109.8A721 L724 R725 L752 P768 I769 A774 E775 L776A721-L772 HydrophobicContact CB-CD2 4.45Å; L724-L772 HydrophobicContact CB-CD1 3.75Å; L724-L772 HydrophobicContact CB-CD2 3.82Å; L724-L772 HydrophobicContact CB-CG 4.46Å; L724-L772 HydrophobicContact CD1-CD2 3.84Å; R725-L772 HydrophobicContact CB-CB 4.36Å; R725-L772 HydrophobicContact CB-CD1 4.26Å; L752-L772 HydrophobicContact CD1-CD2 3.72Å; P768-L772 PolarHBondContact O-N 3.44Å; I769-L772 WeakPolarHBondContact O-CB 3.26Å; I769-L772 PolarHBondContact O-N 3.33Å; I769-L772 VanDerWaalsContact O-N 3.16Å; L772-A774 VanDerWaalsContact C-N 3.33Å; L772-A774 PolarHBondContact O-N 3.39Å; L772-E775 WeakPolarHBondContact O-CB 3.36Å; L772-E775 PolarHBondContact O-N 3.28Å; L772-E775 VanDerWaalsContact O-N 3.1Å; L772-L776 HydrophobicContact CD1-CD1 4.12Å; L772-L776 HydrophobicContact CD1-CD2 4.43Å; L772-L776 HydrophobicContact CD1-CG 4.01Å; L772-L776 HydrophobicContact CG-CD1 4.12Å; L772-L776 HydrophobicContact CG-CG 4.44Å; L772-L776 WeakPolarHBondContact O-CG 3.47Å; L772-L776 PolarHBondContact O-N 2.78Å
773L96.9Very high94.4Very high7 Ų729.2 Ų29.24%0.03716%0.161CC..Hα-helixtrans-56.5-47.7176.9-175.873.9000111.8I769 L770 E775 L776 M777 A800 M803 I804I769-L773 PolarHBondContact O-N 3.43Å; L770-L773 PolarHBondContact O-N 3Å; L773-E775 VanDerWaalsContact C-N 3.27Å; L773-E775 PolarHBondContact O-N 3.01Å; L773-L776 PolarHBondContact O-N 2.69Å; L773-M777 HydrophobicContact CD1-SD 4.34Å; L773-M777 HydrophobicContact CD2-SD 4.31Å; L773-M777 HydrophobicContact CG-SD 3.9Å; L773-M777 VanDerWaalsContact O-CG 3.32Å; L773-M777 WeakPolarHBondContact O-CG 3.45Å; L773-M777 PolarHBondContact O-N 3.37Å; L773-A800 HydrophobicContact CD1-CB 3.86Å; L773-A800 HydrophobicContact CD2-CB 4.41Å; L773-A800 HydrophobicContact CG-CB 4.38Å; L773-M803 HydrophobicContact CB-SD 4.03Å; L773-M803 HydrophobicContact CD1-SD 3.95Å; L773-M803 HydrophobicContact CD2-CB 4.06Å; L773-M803 HydrophobicContact CD2-CG 4.11Å; L773-M803 HydrophobicContact CD2-SD 3.77Å; L773-M803 HydrophobicContact CG-SD 4.12Å; L773-I804 HydrophobicContact CD2-CD1 4.42Å; L773-I804 HydrophobicContact CD2-CG1 3.95Å
774A96.7Very high94.3Very high13 Ų1327.7 Ų27.711%0.10715%0.15CC..Hα-helixtrans-60.4-35.9177.800000112.7L770 L772 Q778 I832 A836L770-A774 WeakPolarHBondContact O-CB 3.49Å; L770-A774 PolarHBondContact O-N 2.82Å; L772-A774 VanDerWaalsContact C-N 3.33Å; L772-A774 PolarHBondContact O-N 3.39Å; A774-Q778 PolarHBondContact O-N 3.43Å; A774-I832 HydrophobicContact CB-CG2 4.19Å; A774-A836 HydrophobicContact CB-CB 3.86Å
775E96.8Very high94.1Very high9 Ų929.5 Ų29.54%0.04215%0.153CC..Hα-helixtrans-69.9-45.7175.7-174.763.6-138.200111.3R725 A728 F729 K771 L772 L773 M777 Q778 R780 R783R725-E775 HydrophobicContact CG-CB 4.4Å; A728-E775 HydrophobicContact CB-CG 3.92Å; F729-E775 WeakPolarHBondContact CA-OE1 3.24Å; F729-E775 HydrophobicContact CB-CG 4.4Å; K771-E775 WeakPolarHBondContact O-CB 3.36Å; K771-E775 PolarHBondContact O-N 2.89Å; K771-E775 VanDerWaalsContact O-N 3.14Å; L772-E775 WeakPolarHBondContact O-CB 3.36Å; L772-E775 PolarHBondContact O-N 3.28Å; L772-E775 VanDerWaalsContact O-N 3.1Å; L773-E775 VanDerWaalsContact C-N 3.27Å; L773-E775 PolarHBondContact O-N 3.01Å; E775-M777 PolarHBondContact O-N 3.22Å; E775-Q778 WeakPolarHBondContact O-CB 3.03Å; E775-Q778 PolarHBondContact O-N 3.43Å; E775-R780 IonicContact OE1-CZ 3.14Å; E775-R780 IonicContact OE1-NH1 3.87Å; E775-R780 PolarHBondContact OE1-NH1 3.45Å; E775-R780 IonicContact OE1-NH2 3.52Å; E775-R780 PolarHBondContact OE1-NH2 3.45Å; E775-R780 IonicContact OE2-NH2 3.99Å; E775-R780 PolarHBondContact OE2-NH2 2.87Å; E775-R783 PolarHBondContact O-NH2 3.37Å; E775-R783 IonicContact OE1-CZ 3.76Å; E775-R783 IonicContact OE1-NH1 2.71Å; E775-R783 IonicContact OE1-NH2 3.9Å; E775-R783 PolarHBondContact OE1-NH2 2.85Å
776L95.5Very high93.7Very high4 Ų430.8 Ų30.82%0.02116%0.158CC..Hα-helixtrans-57.9-36.3176.6-68.4172.7000111.9A728 Y737 L740 I744 L749 L772 L773 Q778 L796A728-L776 HydrophobicContact CB-CD2 4.11Å; Y737-L776 HydrophobicContact CE2-CD2 4.42Å; Y737-L776 PolarHBondContact OH-O 2.86Å; L740-L776 HydrophobicContact CD2-CD2 4.13Å; I744-L776 HydrophobicContact CD1-CD1 4.27Å; L749-L776 HydrophobicContact CD2-CD1 4.2Å; L772-L776 HydrophobicContact CD1-CD1 4.12Å; L772-L776 HydrophobicContact CD1-CD2 4.43Å; L772-L776 HydrophobicContact CD1-CG 4.01Å; L772-L776 HydrophobicContact CG-CD1 4.12Å; L772-L776 HydrophobicContact CG-CG 4.44Å; L772-L776 WeakPolarHBondContact O-CG 3.47Å; L772-L776 PolarHBondContact O-N 2.78Å; L773-L776 PolarHBondContact O-N 2.69Å; L776-Q778 VanDerWaalsContact C-N 3.31Å; L776-Q778 PolarHBondContact O-N 3.46Å; L776-L796 HydrophobicContact CB-CD1 4.28Å
777M94.9Very high92.9Very high1 Ų135.2 Ų35.21%0.00518%0.182CC..THydrogen-bonded Turntrans-80.1-9.6178.2-62.9168.376.300113.9L773 E775 N779 L784 A800 I804 A836 A840L773-M777 HydrophobicContact CD1-SD 4.34Å; L773-M777 HydrophobicContact CD2-SD 4.31Å; L773-M777 HydrophobicContact CG-SD 3.9Å; L773-M777 VanDerWaalsContact O-CG 3.32Å; L773-M777 WeakPolarHBondContact O-CG 3.45Å; L773-M777 PolarHBondContact O-N 3.37Å; E775-M777 PolarHBondContact O-N 3.22Å; M777-N779 PolarHBondContact O-N 2.69Å; M777-L784 WeakPolarHBondContact O-CD1 3.3Å; M777-A800 HydrophobicContact CE-CB 3.6Å; M777-A800 HydrophobicContact CG-CB 4.02Å; M777-A800 HydrophobicContact SD-CB 3.36Å; M777-A800 WeakPolarHBondContact SD-CB 3.38Å; M777-I804 HydrophobicContact CE-CD1 4.46Å; M777-A836 WeakPolarHBondContact CE-O 3.41Å; M777-A836 HydrophobicContact SD-CB 3.8Å; M777-A840 HydrophobicContact CE-CB 3.15Å
778Q94.5Very high92.1Very high72 Ų7242.4 Ų42.434%0.33623%0.225SC..  trans-80.5112.8-177.3-168.1173.118.900110.8A774 E775 L776 R780 R783A774-Q778 PolarHBondContact O-N 3.43Å; E775-Q778 WeakPolarHBondContact O-CB 3.03Å; E775-Q778 PolarHBondContact O-N 3.43Å; L776-Q778 VanDerWaalsContact C-N 3.31Å; L776-Q778 PolarHBondContact O-N 3.46Å; Q778-R780 PolarHBondContact O-N 3.33Å; Q778-R783 PolarHBondContact O-NE 3.45Å; Q778-R783 PolarHBondContact O-NH2 3.38Å
779N93.6Very high91.4Very high44 Ų4447.7 Ų47.724%0.23526%0.263CS..  trans-78.258.7175.2-164.38.7000112.8M777 Q782 R783 L784 G843 Y845M777-N779 PolarHBondContact O-N 2.69Å; N779-Q782 WeakPolarHBondContact OD1-CA 3.4Å; N779-R783 PolarHBondContact OD1-N 2.96Å; N779-L784 HydrophobicContact CB-CB 4.03Å; N779-L784 HydrophobicContact CB-CD1 3.96Å; N779-L784 HydrophobicContact CB-CG 4.2Å; N779-L784 WeakPolarHBondContact OD1-CB 3.49Å; N779-L784 PolarHBondContact OD1-N 2.84Å; N779-G843 PolarHBondContact ND2-O 2.86Å; N779-Y845 HydrophobicContact CB-CD1 4.47Å
780R91.1Very high90.9Very high55 Ų5549.5 Ų49.521%0.20828%0.275CS..G310 helixtrans-68.5135.4176.3-165.3-179.9-56133.58.7109.7F729 N732 E775 Q778 Q782 R783F729-R780 VanDerWaalsContact CD2-NH2 3.31Å; F729-R780 VanDerWaalsContact CE2-CZ 3.47Å; F729-R780 VanDerWaalsContact CE2-NH2 3.33Å; F729-R780 PolarHBondContact O-NH1 2.92Å; N732-R780 WeakPolarHBondContact OD1-CD 3.43Å; E775-R780 IonicContact OE1-CZ 3.14Å; E775-R780 IonicContact OE1-NH1 3.87Å; E775-R780 PolarHBondContact OE1-NH1 3.45Å; E775-R780 IonicContact OE1-NH2 3.52Å; E775-R780 PolarHBondContact OE1-NH2 3.45Å; E775-R780 IonicContact OE2-NH2 3.99Å; E775-R780 PolarHBondContact OE2-NH2 2.87Å; Q778-R780 PolarHBondContact O-N 3.33Å; R780-Q782 PolarHBondContact O-N 2.88Å; R780-R783 WeakPolarHBondContact O-CB 3.49Å; R780-R783 WeakPolarHBondContact O-CG 3.09Å; R780-R783 PolarHBondContact O-N 2.86Å
781S89.2Confident90.5Very high92 Ų9252.7 Ų52.764%0.64330%0.296SS*.G310 helixtrans53.228.6177.8-54.10000114.4R783S781-R783 PolarHBondContact O-N 3.28Å
782Q90.6Very high90.2Very high149 Ų14950.8 Ų50.870%0.69629%0.289SS*.G310 helixtrans59.428.1-177.3-54.3-179.10.200114.5N779 R780 L784 N785N779-Q782 WeakPolarHBondContact OD1-CA 3.4Å; R780-Q782 PolarHBondContact O-N 2.88Å; Q782-L784 VanDerWaalsContact C-N 3.32Å; Q782-L784 PolarHBondContact O-N 3.25Å; Q782-N785 WeakPolarHBondContact O-CB 3.38Å
783R92.8Very high89.9Confident1 Ų150.9 Ų50.90%0.00429%0.29CS..  trans-63.7-32.4178.473.9-175.7179.1-171.5-1.8114.1A728 L731 Y737 E775 Q778 N779 R780 S781 N785A728-R783 PolarHBondContact O-NH1 3.32Å; L731-R783 VanDerWaalsContact O-CD 3.22Å; L731-R783 WeakPolarHBondContact O-CD 3.31Å; L731-R783 PolarHBondContact O-NH1 3.48Å; Y737-R783 HydrophobicContact CD2-CG 4.07Å; Y737-R783 HydrophobicContact CG-CB 4.49Å; Y737-R783 HydrophobicContact CG-CG 4.21Å; E775-R783 PolarHBondContact O-NH2 3.37Å; E775-R783 IonicContact OE1-CZ 3.76Å; E775-R783 IonicContact OE1-NH1 2.71Å; E775-R783 IonicContact OE1-NH2 3.9Å; E775-R783 PolarHBondContact OE1-NH2 2.85Å; Q778-R783 PolarHBondContact O-NE 3.45Å; Q778-R783 PolarHBondContact O-NH2 3.38Å; N779-R783 PolarHBondContact OD1-N 2.96Å; R780-R783 WeakPolarHBondContact O-CB 3.49Å; R780-R783 WeakPolarHBondContact O-CG 3.09Å; R780-R783 PolarHBondContact O-N 2.86Å; S781-R783 PolarHBondContact O-N 3.28Å; R783-N785 PolarHBondContact O-N 3.31Å
784L90.5Very high89.7Confident1 Ų152.9 Ų52.91%0.00530%0.301CS..  trans-84.659.4176.3-59.5177.3000109.7Y737 M777 N779 Q782 F786 L796 Y845Y737-L784 HydrophobicContact CD1-CD2 3.68Å; Y737-L784 HydrophobicContact CD2-CD2 4.46Å; Y737-L784 HydrophobicContact CE1-CD2 3.12Å; Y737-L784 HydrophobicContact CE2-CD2 3.96Å; Y737-L784 HydrophobicContact CG-CD2 4.34Å; M777-L784 WeakPolarHBondContact O-CD1 3.3Å; N779-L784 HydrophobicContact CB-CB 4.03Å; N779-L784 HydrophobicContact CB-CD1 3.96Å; N779-L784 HydrophobicContact CB-CG 4.2Å; N779-L784 WeakPolarHBondContact OD1-CB 3.49Å; N779-L784 PolarHBondContact OD1-N 2.84Å; Q782-L784 VanDerWaalsContact C-N 3.32Å; Q782-L784 PolarHBondContact O-N 3.25Å; L784-F786 HydrophobicContact CB-CE2 4.28Å; L784-F786 HydrophobicContact CD2-CE2 4.1Å; L784-F786 HydrophobicContact CD2-CZ 4Å; L784-L796 HydrophobicContact CD1-CD2 4.25Å; L784-L796 HydrophobicContact CD2-CD2 3.85Å; L784-Y845 HydrophobicContact CB-CD1 3.93Å; L784-Y845 HydrophobicContact CB-CG 3.9Å; L784-Y845 HydrophobicContact CD1-CD1 3.64Å; L784-Y845 HydrophobicContact CD1-CE1 3.53Å; L784-Y845 HydrophobicContact CD1-CE2 4.47Å; L784-Y845 HydrophobicContact CD1-CG 4.2Å; L784-Y845 HydrophobicContact CG-CD1 4.43Å; L784-Y845 WeakPolarHBondContact O-CB 3.38Å
785N85.2Confident89.5Confident94 Ų9453.8 Ų53.850%0.50330%0.303SS..  trans-117.979.3176.7-168.616.1000109.7K734 Q782 R783K734-N785 WeakPolarHBondContact CD-O 3.3Å; K734-N785 WeakPolarHBondContact CE-O 3.36Å; Q782-N785 WeakPolarHBondContact O-CB 3.38Å; R783-N785 PolarHBondContact O-N 3.31Å
786F83.1Confident89.4Confident27 Ų2753.4 Ų53.412%0.11830%0.302CS..  trans-74.4146.9-179.2-57.2-74.1000111.2Y737 L784 N792 G793 Y845Y737-F786 HydrophobicContact CD1-CZ 4.49Å; Y737-F786 HydrophobicContact CE1-CZ 4.14Å; L784-F786 HydrophobicContact CB-CE2 4.28Å; L784-F786 HydrophobicContact CD2-CE2 4.1Å; L784-F786 HydrophobicContact CD2-CZ 4Å; F786-N792 HydrophobicContact CD1-CB 3.49Å; F786-N792 VanDerWaalsContact CD1-CB 3.49Å; F786-N792 HydrophobicContact CD2-CB 4.49Å; F786-N792 HydrophobicContact CE1-CB 3.53Å; F786-N792 HydrophobicContact CG-CB 3.99Å; F786-N792 HydrophobicContact CZ-CB 4.05Å; F786-G793 VanDerWaalsContact CD2-CA 3.44Å; F786-G793 VanDerWaalsContact CD2-N 3.34Å; F786-G793 VanDerWaalsContact CE2-CA 3.48Å; F786-Y845 HydrophobicContact CE2-CD2 4.3Å
787D79.1Confident89.4Confident92 Ų9253.3 Ų53.349%0.49230%0.301SS..  trans-64.3152.3174.5-64.2-55.4000110.9K734 S789 S790K734-D787 IonicContact NZ-OD1 3.84Å; K734-D787 PolarHBondContact NZ-OD1 2.86Å; K734-D787 IonicContact NZ-OD2 2.85Å; K734-D787 PolarHBondContact NZ-OD2 2.81Å; D787-S789 PolarHBondContact O-N 3.23Å; D787-S790 WeakPolarHBondContact O-CB 3.19Å; D787-S790 PolarHBondContact O-N 3.35Å
788V78.1Confident89.4Confident159 Ų15957.5 Ų57.596%0.96432%0.317SS*.THydrogen-bonded Turntrans-60.2-23.9-176.8-174.10000112.4
789S81.5Confident89.4Confident114 Ų11455.6 Ų55.680%0.79731%0.308SS*.THydrogen-bonded Turntrans-78.4-15.5173.951.10000114D787D787-S789 PolarHBondContact O-N 3.23Å
790S86.5Confident89.5Confident38 Ų3853.5 Ų53.527%0.26630%0.296SS..  trans-93.7126.8-173.9178.80000111.7D787 N792D787-S790 WeakPolarHBondContact O-CB 3.19Å; D787-S790 PolarHBondContact O-N 3.35Å; S790-N792 PolarHBondContact O-N 3.08Å; S790-N792 VanDerWaalsContact OG-CB 3.31Å; S790-N792 WeakPolarHBondContact OG-CB 3.43Å; S790-N792 PolarHBondContact OG-N 3.28Å; S790-N792 PolarHBondContact OG-ND2 3.43Å; S790-N792 PolarHBondContact OG-OD1 2.91Å
791P88.8Confident89.8Confident69 Ų6951 Ų5145%0.44829%0.287SS..  trans-79.2-0.3173.834.1-35.4000112.9G793 I794 L795P791-G793 VanDerWaalsContact C-N 3.31Å; P791-G793 PolarHBondContact O-N 3.45Å; P791-I794 WeakPolarHBondContact O-CA 3.24Å; P791-I794 WeakPolarHBondContact O-CB 3.17Å; P791-I794 PolarHBondContact O-N 2.97Å; P791-L795 HydrophobicContact CB-CD1 4.14Å; P791-L795 HydrophobicContact CB-CG 4.27Å; P791-L795 HydrophobicContact CG-CD1 3.9Å; P791-L795 WeakPolarHBondContact O-CG 3.34Å; P791-L795 PolarHBondContact O-N 3.27Å
792N91.4Very high90.1Very high24 Ų2450.3 Ų50.313%0.12827%0.273CS..Hα-helixtrans-58.7-37.4-166.2-72.22.7000113.5F741 F786 S790 I794 L795 L796F741-N792 HydrophobicContact CD1-CB 3.96Å; F741-N792 HydrophobicContact CE1-CB 3.57Å; F741-N792 HydrophobicContact CZ-CB 4.4Å; F786-N792 HydrophobicContact CD1-CB 3.49Å; F786-N792 VanDerWaalsContact CD1-CB 3.49Å; F786-N792 HydrophobicContact CD2-CB 4.49Å; F786-N792 HydrophobicContact CE1-CB 3.53Å; F786-N792 HydrophobicContact CG-CB 3.99Å; F786-N792 HydrophobicContact CZ-CB 4.05Å; S790-N792 PolarHBondContact O-N 3.08Å; S790-N792 VanDerWaalsContact OG-CB 3.31Å; S790-N792 WeakPolarHBondContact OG-CB 3.43Å; S790-N792 PolarHBondContact OG-N 3.28Å; S790-N792 PolarHBondContact OG-ND2 3.43Å; S790-N792 PolarHBondContact OG-OD1 2.91Å; N792-I794 VanDerWaalsContact C-N 3.34Å; N792-I794 PolarHBondContact O-N 2.9Å; N792-L795 PolarHBondContact O-N 3.08Å; N792-L796 WeakPolarHBondContact O-CB 3.07Å; N792-L796 PolarHBondContact O-N 2.94Å
793G91.7Very high90.4Very high4 Ų443.4 Ų43.44%0.04124%0.241CC..Hα-helixtrans-60.5-43.3174.800000112.7F786 P791 F797 V846F786-G793 VanDerWaalsContact CD2-CA 3.44Å; F786-G793 VanDerWaalsContact CD2-N 3.34Å; F786-G793 VanDerWaalsContact CE2-CA 3.48Å; P791-G793 VanDerWaalsContact C-N 3.31Å; P791-G793 PolarHBondContact O-N 3.45Å; G793-F797 PolarHBondContact O-N 3.36Å; G793-F797 VanDerWaalsContact O-N 3.13Å; G793-V846 WeakPolarHBondContact O-CG2 3.26Å
794I92Very high90.6Very high49 Ų4943.5 Ų43.525%0.25124%0.241SC..Hα-helixtrans-66.9-43.7177.9-60.7169.7000109.8P791 N792 F797 R798 V846 V850 F851P791-I794 WeakPolarHBondContact O-CA 3.24Å; P791-I794 WeakPolarHBondContact O-CB 3.17Å; P791-I794 PolarHBondContact O-N 2.97Å; N792-I794 VanDerWaalsContact C-N 3.34Å; N792-I794 PolarHBondContact O-N 2.9Å; I794-F797 PolarHBondContact O-N 3.39Å; I794-R798 HydrophobicContact CG2-CG 4.43Å; I794-R798 WeakPolarHBondContact O-CG 3.48Å; I794-R798 PolarHBondContact O-N 3.21Å; I794-V846 HydrophobicContact CG1-CG1 4.33Å; I794-V850 HydrophobicContact CD1-CG1 3.85Å; I794-F851 HydrophobicContact CG2-CE1 3.93Å; I794-F851 HydrophobicContact CG2-CZ 3.82Å
795L93.8Very high90.9Very high31 Ų3144.2 Ų44.216%0.16225%0.246CC..Hα-helixtrans-63.1-45179.9-63.9174.3000111.9F741 Y745 P791 N792 F797 R798 E799F741-L795 HydrophobicContact CZ-CB 4.32Å; Y745-L795 HydrophobicContact CE1-CB 4.32Å; Y745-L795 HydrophobicContact CE1-CD1 3.68Å; Y745-L795 HydrophobicContact CE1-CG 4.46Å; Y745-L795 HydrophobicContact CE2-CB 4.35Å; Y745-L795 WeakPolarHBondContact OH-CD2 3.37Å; P791-L795 HydrophobicContact CB-CD1 4.14Å; P791-L795 HydrophobicContact CB-CG 4.27Å; P791-L795 HydrophobicContact CG-CD1 3.9Å; P791-L795 WeakPolarHBondContact O-CG 3.34Å; P791-L795 PolarHBondContact O-N 3.27Å; N792-L795 PolarHBondContact O-N 3.08Å; L795-F797 VanDerWaalsContact C-N 3.33Å; L795-F797 PolarHBondContact O-N 2.88Å; L795-R798 PolarHBondContact O-N 2.9Å; L795-E799 PolarHBondContact O-N 2.96Å
796L94.7Very high91.4Very high2 Ų241 Ų411%0.0123%0.23CC..Hα-helixtrans-57-47.1173.9176.261.2000111.3F741 L776 L784 N792 R798 A800 Y845F741-L796 HydrophobicContact CD2-CD1 4.36Å; F741-L796 HydrophobicContact CE2-CB 3.74Å; F741-L796 HydrophobicContact CE2-CD1 3.9Å; F741-L796 HydrophobicContact CE2-CG 4.32Å; F741-L796 HydrophobicContact CZ-CB 4.07Å; L776-L796 HydrophobicContact CB-CD1 4.28Å; L784-L796 HydrophobicContact CD1-CD2 4.25Å; L784-L796 HydrophobicContact CD2-CD2 3.85Å; N792-L796 WeakPolarHBondContact O-CB 3.07Å; N792-L796 PolarHBondContact O-N 2.94Å; L796-R798 VanDerWaalsContact C-N 3.35Å; L796-R798 PolarHBondContact O-N 3.18Å; L796-A800 WeakPolarHBondContact O-CB 3.39Å; L796-A800 PolarHBondContact O-N 3.12Å; L796-Y845 HydrophobicContact CD2-CE2 4Å; L796-Y845 HydrophobicContact CG-CE2 4.48Å
797F95.3Very high92.1Very high1 Ų139.9 Ų39.90%0.00423%0.225CC..Hα-helixtrans-65.5-37178.1-178.5-93.5000112.6G793 I794 L795 A800 S801 L837 A840 V846 F848 F851 F859 V862G793-F797 PolarHBondContact O-N 3.36Å; G793-F797 VanDerWaalsContact O-N 3.13Å; I794-F797 PolarHBondContact O-N 3.39Å; L795-F797 VanDerWaalsContact C-N 3.33Å; L795-F797 PolarHBondContact O-N 2.88Å; F797-A800 PolarHBondContact O-N 3.43Å; F797-S801 VanDerWaalsContact O-CB 3.26Å; F797-S801 WeakPolarHBondContact O-CB 3.35Å; F797-S801 PolarHBondContact O-N 3.31Å; F797-L837 HydrophobicContact CE2-CD1 4.39Å; F797-A840 HydrophobicContact CD2-CB 3.68Å; F797-A840 HydrophobicContact CE2-CB 3.81Å; F797-V846 HydrophobicContact CB-CG2 4.03Å; F797-F848 HydrophobicContact CD1-CE1 4.17Å; F797-F848 AromaticContact CD2-CE1 3.69Å; F797-F848 HydrophobicContact CD2-CE1 3.69Å; F797-F848 HydrophobicContact CD2-CZ 4.27Å; F797-F848 HydrophobicContact CE1-CD1 4.25Å; F797-F848 AromaticContact CE1-CE1 3.95Å; F797-F848 HydrophobicContact CE1-CE1 3.95Å; F797-F848 HydrophobicContact CE2-CD1 4.46Å; F797-F848 AromaticContact CE2-CE1 3.47Å; F797-F848 HydrophobicContact CE2-CE1 3.47Å; F797-F848 VanDerWaalsContact CE2-CE1 3.47Å; F797-F848 HydrophobicContact CE2-CZ 4.12Å; F797-F848 HydrophobicContact CG-CE1 4.03Å; F797-F848 HydrophobicContact CZ-CD1 4.17Å; F797-F848 AromaticContact CZ-CE1 3.59Å; F797-F848 HydrophobicContact CZ-CE1 3.59Å; F797-F851 HydrophobicContact CB-CZ 4.45Å; F797-F851 HydrophobicContact CD1-CE1 4.21Å; F797-F851 AromaticContact CD1-CE2 3.54Å; F797-F851 HydrophobicContact CD1-CE2 3.54Å; F797-F851 AromaticContact CD1-CZ 3.33Å; F797-F851 HydrophobicContact CD1-CZ 3.33Å; F797-F851 AromaticContact CE1-CE2 3.85Å; F797-F851 HydrophobicContact CE1-CE2 3.85Å; F797-F851 AromaticContact CE1-CZ 3.97Å; F797-F851 HydrophobicContact CE1-CZ 3.97Å; F797-F851 HydrophobicContact CG-CE2 4.41Å; F797-F851 HydrophobicContact CG-CZ 4.25Å; F797-F859 HydrophobicContact CE1-CB 4.23Å; F797-F859 AromaticContact CE1-CD2 3.99Å; F797-F859 HydrophobicContact CE1-CD2 3.99Å; F797-F859 AromaticContact CZ-CD2 3.72Å; F797-F859 HydrophobicContact CZ-CD2 3.72Å; F797-F859 HydrophobicContact CZ-CE2 4.44Å; F797-V862 HydrophobicContact CE1-CG1 4.49Å; F797-V862 HydrophobicContact CZ-CG1 3.79Å
798R94.7Very high92.8Very high90 Ų9035.5 Ų35.534%0.3420%0.201SC..Hα-helixtrans-61.8-49.1177.2-77.7-179.764.4175.4-0.8111.8I794 L795 L796 A800 S801 K802 F851 D856 H858I794-R798 HydrophobicContact CG2-CG 4.43Å; I794-R798 WeakPolarHBondContact O-CG 3.48Å; I794-R798 PolarHBondContact O-N 3.21Å; L795-R798 PolarHBondContact O-N 2.9Å; L796-R798 VanDerWaalsContact C-N 3.35Å; L796-R798 PolarHBondContact O-N 3.18Å; R798-A800 VanDerWaalsContact C-N 3.32Å; R798-A800 PolarHBondContact O-N 3.37Å; R798-S801 PolarHBondContact O-N 2.95Å; R798-K802 WeakPolarHBondContact O-CB 3.47Å; R798-K802 PolarHBondContact O-N 2.99Å; R798-F851 HydrophobicContact CG-CE1 3.69Å; R798-F851 HydrophobicContact CG-CZ 4.26Å; R798-D856 WeakPolarHBondContact CD-OD2 3.46Å; R798-D856 IonicContact CZ-OD2 3.72Å; R798-D856 IonicContact NE-OD2 3.44Å; R798-D856 PolarHBondContact NE-OD2 2.85Å; R798-D856 IonicContact NH1-OD2 2.8Å; R798-H858 HydrophobicContact CG-CB 4.29Å
799E94.6Very high93.6Very high31 Ų3131.4 Ų31.415%0.14517%0.174CC..Hα-helixtrans-64.3-39.4177.8-69.3-54132.700111.7Y745 L749 L795 K802 M803Y745-E799 HydrophobicContact CD2-CG 4.06Å; Y745-E799 HydrophobicContact CE2-CG 3.96Å; L749-E799 HydrophobicContact CD1-CB 4.11Å; L749-E799 HydrophobicContact CD1-CG 4.14Å; L795-E799 PolarHBondContact O-N 2.96Å; E799-K802 PolarHBondContact O-N 3.49Å; E799-M803 WeakPolarHBondContact O-CB 3.41Å; E799-M803 PolarHBondContact O-N 3.38Å
800A95.4Very high94.2Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-62.7-49174.200000113.4L773 M777 L796 F797 R798 K802 M803 I804L773-A800 HydrophobicContact CD1-CB 3.86Å; L773-A800 HydrophobicContact CD2-CB 4.41Å; L773-A800 HydrophobicContact CG-CB 4.38Å; M777-A800 HydrophobicContact CE-CB 3.6Å; M777-A800 HydrophobicContact CG-CB 4.02Å; M777-A800 HydrophobicContact SD-CB 3.36Å; M777-A800 WeakPolarHBondContact SD-CB 3.38Å; L796-A800 WeakPolarHBondContact O-CB 3.39Å; L796-A800 PolarHBondContact O-N 3.12Å; F797-A800 PolarHBondContact O-N 3.43Å; R798-A800 VanDerWaalsContact C-N 3.32Å; R798-A800 PolarHBondContact O-N 3.37Å; A800-K802 VanDerWaalsContact C-N 3.29Å; A800-K802 PolarHBondContact O-N 3.32Å; A800-M803 PolarHBondContact O-N 3.34Å; A800-I804 VanDerWaalsContact O-CG1 3.3Å; A800-I804 WeakPolarHBondContact O-CG1 3.37Å; A800-I804 PolarHBondContact O-N 3.28Å
801S96.5Very high94.5Very high2 Ų227.3 Ų27.31%0.01414%0.138CC..Hα-helixtrans-55.9-47.9176.2161.70000110.4F797 R798 M803 I804 C805 H858F797-S801 VanDerWaalsContact O-CB 3.26Å; F797-S801 WeakPolarHBondContact O-CB 3.35Å; F797-S801 PolarHBondContact O-N 3.31Å; R798-S801 PolarHBondContact O-N 2.95Å; S801-M803 PolarHBondContact O-N 3.36Å; S801-I804 PolarHBondContact O-N 3.07Å; S801-C805 WeakPolarHBondContact O-CB 3.48Å; S801-C805 PolarHBondContact O-N 2.9Å; S801-C805 PolarHBondContact O-SG 3.47Å; S801-H858 PolarHBondContact OG-O 3.22Å
802K96.1Very high94.6Very high79 Ų7926.5 Ų26.534%0.34313%0.13SC..Hα-helixtrans-58.7-46.8179.3-164.8-171.2-177.4-160.20111.5Q753 R798 E799 A800 C805 T806Q753-K802 VanDerWaalsContact NE2-CE 3.31Å; R798-K802 WeakPolarHBondContact O-CB 3.47Å; R798-K802 PolarHBondContact O-N 2.99Å; E799-K802 PolarHBondContact O-N 3.49Å; A800-K802 VanDerWaalsContact C-N 3.29Å; A800-K802 PolarHBondContact O-N 3.32Å; K802-C805 PolarHBondContact O-N 2.98Å; K802-T806 PolarHBondContact O-N 3.05Å; K802-T806 PolarHBondContact O-OG1 3.39Å; K802-T806 VanDerWaalsContact O-OG1 3.05Å
803M96.4Very high94.6Very high4 Ų428.7 Ų28.72%0.0215%0.147CC..Hα-helixtrans-65.5-43.3178.7-169.8176.9-70.300112.8L752 Q753 I756 I769 L773 E799 A800 S801 C805 T806 Y807L752-M803 HydrophobicContact CB-CE 3.84Å; Q753-M803 HydrophobicContact CB-CE 4.19Å; I756-M803 HydrophobicContact CD1-CE 4.35Å; I756-M803 HydrophobicContact CD1-CG 3.28Å; I756-M803 HydrophobicContact CD1-SD 3.38Å; I756-M803 WeakPolarHBondContact CD1-SD 3.48Å; I769-M803 HydrophobicContact CG2-CE 4.45Å; I769-M803 HydrophobicContact CG2-SD 4.08Å; L773-M803 HydrophobicContact CB-SD 4.03Å; L773-M803 HydrophobicContact CD1-SD 3.95Å; L773-M803 HydrophobicContact CD2-CB 4.06Å; L773-M803 HydrophobicContact CD2-CG 4.11Å; L773-M803 HydrophobicContact CD2-SD 3.77Å; L773-M803 HydrophobicContact CG-SD 4.12Å; E799-M803 WeakPolarHBondContact O-CB 3.41Å; E799-M803 PolarHBondContact O-N 3.38Å; A800-M803 PolarHBondContact O-N 3.34Å; S801-M803 PolarHBondContact O-N 3.36Å; M803-C805 VanDerWaalsContact C-N 3.34Å; M803-T806 PolarHBondContact O-N 2.97Å; M803-Y807 PolarHBondContact O-N 3.4Å
804I97.2Very high94.3Very high3 Ų330 Ų302%0.01515%0.153CC..Hα-helixtrans-63-41.5175-67.2167.1000110.5L773 M777 A800 S801 G808 C833 A836 L837 V862 M869L773-I804 HydrophobicContact CD2-CD1 4.42Å; L773-I804 HydrophobicContact CD2-CG1 3.95Å; M777-I804 HydrophobicContact CE-CD1 4.46Å; A800-I804 VanDerWaalsContact O-CG1 3.3Å; A800-I804 WeakPolarHBondContact O-CG1 3.37Å; A800-I804 PolarHBondContact O-N 3.28Å; S801-I804 PolarHBondContact O-N 3.07Å; I804-G808 WeakPolarHBondContact O-CA 3.18Å; I804-G808 PolarHBondContact O-N 3.42Å; I804-C833 HydrophobicContact CG2-CB 4.22Å; I804-A836 HydrophobicContact CD1-CB 4.26Å; I804-L837 HydrophobicContact CD1-CB 4.41Å; I804-V862 HydrophobicContact CB-CG2 3.96Å; I804-V862 HydrophobicContact CD1-CG2 4.16Å; I804-V862 HydrophobicContact CG2-CG2 3.66Å; I804-M869 HydrophobicContact CG2-CE 4.07Å
805C97.2Very high93.8Very high16 Ų1630.7 Ų30.711%0.10817%0.172CC..Hα-helixtrans-64.5-45176.2-69.10000111.8S801 K802 M803 N809 N861S801-C805 WeakPolarHBondContact O-CB 3.48Å; S801-C805 PolarHBondContact O-N 2.9Å; S801-C805 PolarHBondContact O-SG 3.47Å; K802-C805 PolarHBondContact O-N 2.98Å; M803-C805 VanDerWaalsContact C-N 3.34Å; C805-N809 WeakPolarHBondContact O-CB 3.38Å; C805-N809 PolarHBondContact O-N 3.11Å; C805-N809 PolarHBondContact O-ND2 3.29Å; C805-N861 PolarHBondContact SG-O 3.43Å
806T96.1Very high93.2Very high25 Ų2535.4 Ų35.415%0.15321%0.207CC..Hα-helixtrans-59-53.4176.8-62.40000110.3Q753 I756 E757 K802 M803 Q810Q753-T806 PolarHBondContact NE2-OG1 3.01Å; I756-T806 HydrophobicContact CG2-CG2 4.14Å; E757-T806 HydrophobicContact CB-CG2 3.79Å; E757-T806 HydrophobicContact CG-CG2 4.18Å; K802-T806 PolarHBondContact O-N 3.05Å; K802-T806 PolarHBondContact O-OG1 3.39Å; K802-T806 VanDerWaalsContact O-OG1 3.05Å; M803-T806 PolarHBondContact O-N 2.97Å; T806-Q810 WeakPolarHBondContact O-CB 3.47Å; T806-Q810 WeakPolarHBondContact O-CG 3.24Å; T806-Q810 PolarHBondContact O-N 2.79Å
807Y97Very high92.7Very high4 Ų437.7 Ų37.72%0.01622%0.219CC..Hα-helixtrans-62.8-48.9179.3-177.3-102.7000112I756 T766 L770 M803 N809 Q810 I811 G829 C833I756-Y807 HydrophobicContact CG2-CD2 4.15Å; I756-Y807 HydrophobicContact CG2-CG 4.43Å; T766-Y807 HydrophobicContact CG2-CD2 4.44Å; T766-Y807 HydrophobicContact CG2-CE2 4.21Å; L770-Y807 HydrophobicContact CD1-CD1 3.89Å; L770-Y807 HydrophobicContact CD1-CD2 4.03Å; L770-Y807 HydrophobicContact CD1-CE1 3.8Å; L770-Y807 HydrophobicContact CD1-CE2 3.96Å; L770-Y807 HydrophobicContact CD1-CG 3.99Å; L770-Y807 HydrophobicContact CD2-CG 4.32Å; M803-Y807 PolarHBondContact O-N 3.4Å; Y807-N809 PolarHBondContact O-N 3.13Å; Y807-Q810 PolarHBondContact O-N 3.07Å; Y807-I811 HydrophobicContact CD1-CG2 4.46Å; Y807-I811 HydrophobicContact CE1-CB 4.17Å; Y807-I811 HydrophobicContact CE1-CG1 4.19Å; Y807-I811 HydrophobicContact CE1-CG2 4.21Å; Y807-I811 HydrophobicContact CE2-CB 4.42Å; Y807-I811 HydrophobicContact CE2-CD1 3.89Å; Y807-I811 HydrophobicContact CE2-CG1 4.36Å; Y807-I811 WeakPolarHBondContact O-CB 3.34Å; Y807-I811 WeakPolarHBondContact O-CG2 3.29Å; Y807-I811 PolarHBondContact O-N 3.41Å; Y807-I811 WeakPolarHBondContact OH-CD1 3.38Å; Y807-G829 WeakPolarHBondContact OH-CA 3.49Å; Y807-C833 VanDerWaalsContact CD1-SG 3.54Å
808G94.8Very high92.2Very high0 Ų040.2 Ų40.20%024%0.237CC..Hα-helixtrans-63.3-36.2-175.400000113.5I804 L812I804-G808 WeakPolarHBondContact O-CA 3.18Å; I804-G808 PolarHBondContact O-N 3.42Å; G808-L812 VanDerWaalsContact O-CD1 3.24Å; G808-L812 WeakPolarHBondContact O-CD1 3.47Å; G808-L812 WeakPolarHBondContact O-CG 3.42Å
809N94.1Very high91.5Very high73 Ų7344.9 Ų44.939%0.3926%0.26SS..Hα-helixtrans-74.9-39.8174.8-70.2-53.7000111.9C805 Y807 K868C805-N809 WeakPolarHBondContact O-CB 3.38Å; C805-N809 PolarHBondContact O-N 3.11Å; C805-N809 PolarHBondContact O-ND2 3.29Å; Y807-N809 PolarHBondContact O-N 3.13Å; N809-K868 PolarHBondContact OD1-NZ 3.1Å
810Q94Very high90.8Very high66 Ų6649 Ų4931%0.30828%0.283SS..Hα-helixtrans-72.2-40.5-177.6-67.3-700.600112.3Y760 T806 Y807 L812 S813Y760-Q810 HydrophobicContact CD1-CB 3.87Å; Y760-Q810 HydrophobicContact CD1-CG 4.29Å; Y760-Q810 HydrophobicContact CD2-CB 3.87Å; Y760-Q810 HydrophobicContact CE1-CB 4.41Å; Y760-Q810 HydrophobicContact CE2-CB 4.43Å; Y760-Q810 WeakPolarHBondContact CE2-O 3.2Å; Y760-Q810 HydrophobicContact CG-CB 3.57Å; Y760-Q810 HydrophobicContact CG-CG 4.42Å; T806-Q810 WeakPolarHBondContact O-CB 3.47Å; T806-Q810 WeakPolarHBondContact O-CG 3.24Å; T806-Q810 PolarHBondContact O-N 2.79Å; Y807-Q810 PolarHBondContact O-N 3.07Å; Q810-L812 PolarHBondContact O-N 2.98Å; Q810-L812 VanDerWaalsContact O-N 3.15Å; Q810-S813 VanDerWaalsContact O-CB 3.32Å; Q810-S813 WeakPolarHBondContact O-CB 3.37Å; Q810-S813 PolarHBondContact O-N 3.24Å; Q810-S813 PolarHBondContact O-OG 3.08Å
811I93.4Very high90.4Very high0 Ų054.2 Ų54.20%031%0.305CS..Hα-helixtrans-65.2-22.8-177.1-156.268.4000113Y807 S813 L814 K826Y807-I811 HydrophobicContact CD1-CG2 4.46Å; Y807-I811 HydrophobicContact CE1-CB 4.17Å; Y807-I811 HydrophobicContact CE1-CG1 4.19Å; Y807-I811 HydrophobicContact CE1-CG2 4.21Å; Y807-I811 HydrophobicContact CE2-CB 4.42Å; Y807-I811 HydrophobicContact CE2-CD1 3.89Å; Y807-I811 HydrophobicContact CE2-CG1 4.36Å; Y807-I811 WeakPolarHBondContact O-CB 3.34Å; Y807-I811 WeakPolarHBondContact O-CG2 3.29Å; Y807-I811 PolarHBondContact O-N 3.41Å; Y807-I811 WeakPolarHBondContact OH-CD1 3.38Å; I811-S813 VanDerWaalsContact C-N 3.27Å; I811-S813 PolarHBondContact O-N 2.84Å; I811-L814 HydrophobicContact CD1-CD1 3.44Å; I811-L814 VanDerWaalsContact CD1-CD1 3.44Å; I811-L814 HydrophobicContact CD1-CG 4.31Å; I811-L814 HydrophobicContact CG1-CD1 4.05Å; I811-L814 WeakPolarHBondContact O-CB 3.49Å; I811-L814 PolarHBondContact O-N 3.39Å; I811-K826 HydrophobicContact CG1-CG 4.27Å
812L91.1Very high90.1Very high53 Ų5355.6 Ų55.628%0.27731%0.312SS..THydrogen-bonded Turntrans-74.5-16.9175.5-64.9173.6000113.2G808 Q810 L814 K868 S872G808-L812 VanDerWaalsContact O-CD1 3.24Å; G808-L812 WeakPolarHBondContact O-CD1 3.47Å; G808-L812 WeakPolarHBondContact O-CG 3.42Å; Q810-L812 PolarHBondContact O-N 2.98Å; Q810-L812 VanDerWaalsContact O-N 3.15Å; L812-L814 PolarHBondContact O-N 3.47Å; L812-K868 HydrophobicContact CD1-CB 3.59Å; L812-S872 VanDerWaalsContact CD2-OG 3.29Å; L812-S872 WeakPolarHBondContact CD2-OG 3.47Å
813S90Very high89.9Confident69 Ų6954.3 Ų54.348%0.48331%0.305SS..THydrogen-bonded Turntrans-75-13.5173.373.80000112.9Y760 Q810 I811 G815Y760-S813 PolarHBondContact OH-OG 2.76Å; Q810-S813 VanDerWaalsContact O-CB 3.32Å; Q810-S813 WeakPolarHBondContact O-CB 3.37Å; Q810-S813 PolarHBondContact O-N 3.24Å; Q810-S813 PolarHBondContact O-OG 3.08Å; I811-S813 VanDerWaalsContact C-N 3.27Å; I811-S813 PolarHBondContact O-N 2.84Å; S813-G815 PolarHBondContact O-N 3.03Å
814L86Confident89.6Confident33 Ų3356.8 Ų56.817%0.17332%0.322CS..  trans-64.5118.1169.9-64.9-179.8000108.5Y760 I811 L812Y760-L814 HydrophobicContact CE2-CD2 4.12Å; Y760-L814 HydrophobicContact CE2-CG 4.38Å; I811-L814 HydrophobicContact CD1-CD1 3.44Å; I811-L814 VanDerWaalsContact CD1-CD1 3.44Å; I811-L814 HydrophobicContact CD1-CG 4.31Å; I811-L814 HydrophobicContact CG1-CD1 4.05Å; I811-L814 WeakPolarHBondContact O-CB 3.49Å; I811-L814 PolarHBondContact O-N 3.39Å; L812-L814 PolarHBondContact O-N 3.47Å
815G81.3Confident89.3Confident62 Ų6259.2 Ų59.264%0.63933%0.334SS*.  trans-65.2-159.6178.700000113.5S813 L817S813-G815 PolarHBondContact O-N 3.03Å; G815-L817 PolarHBondContact O-N 2.66Å; G815-L817 VanDerWaalsContact O-N 3.14Å
816S80.6Confident89.1Confident130 Ų13059.8 Ų59.891%0.90933%0.334SS*.PPolyproline II helixtrans-62.6118.9177.447.80000111
817L84.9Confident88.9Confident51 Ų5158.6 Ų58.627%0.26733%0.327SS..PPolyproline II helixtrans-97.9150.3173.6-64.9172.7000109.6G815 I822 M825 K826G815-L817 PolarHBondContact O-N 2.66Å; G815-L817 VanDerWaalsContact O-N 3.14Å; L817-I822 HydrophobicContact CB-CB 4.48Å; L817-M825 HydrophobicContact CD1-CB 3.89Å; L817-M825 HydrophobicContact CD2-CE 4.39Å; L817-M825 HydrophobicContact CD2-SD 4.03Å; L817-K826 HydrophobicContact CD1-CB 4.1Å
818S83.8Confident88.8Confident53 Ų5361.8 Ų61.837%0.37134%0.341SS..PPolyproline II helixtrans-66.5151.7170.563.70000110.8D820 K821 I822S818-D820 WeakPolarHBondContact CB-OD1 3.22Å; S818-D820 PolarHBondContact O-N 3.17Å; S818-D820 VanDerWaalsContact O-N 3.16Å; S818-D820 PolarHBondContact OG-OD1 2.88Å; S818-K821 PolarHBondContact O-N 2.95Å; S818-I822 PolarHBondContact O-N 3.1Å
819K80Confident88.9Confident189 Ų18961.9 Ų61.982%0.82234%0.342SS*.THydrogen-bonded Turntrans-58.3-30.2-174.8-74.3-173.6170.5-1790113.3I822K819-I822 WeakPolarHBondContact O-CG2 3.36Å
820D81.6Confident89Confident117 Ų11758.4 Ų58.463%0.62632%0.323SS*.THydrogen-bonded Turntrans-72.7-28.2176.357.1-51.5000113.4S818S818-D820 WeakPolarHBondContact CB-OD1 3.22Å; S818-D820 PolarHBondContact O-N 3.17Å; S818-D820 VanDerWaalsContact O-N 3.16Å; S818-D820 PolarHBondContact OG-OD1 2.88Å
821K86.5Confident89.1Confident110 Ų11055.7 Ų55.748%0.47831%0.312SS..THydrogen-bonded Turntrans-99.8-18.2-177-66.9-176.5-177.5178.10114.2S818 Y823 P824 M825S818-K821 PolarHBondContact O-N 2.95Å; K821-Y823 VanDerWaalsContact C-N 3.29Å; K821-Y823 PolarHBondContact O-N 3.37Å; K821-P824 VanDerWaalsContact O-CD 3.27Å; K821-P824 WeakPolarHBondContact O-CD 3.44Å; K821-P824 WeakPolarHBondContact O-CG 3.41Å; K821-M825 HydrophobicContact CB-CG 4.4Å; K821-M825 HydrophobicContact CB-SD 4.03Å; K821-M825 HydrophobicContact CD-SD 4.34Å; K821-M825 WeakPolarHBondContact O-CB 3.39Å; K821-M825 WeakPolarHBondContact O-CG 3.48Å; K821-M825 PolarHBondContact O-N 3.15Å; K821-M825 VanDerWaalsContact O-N 3.08Å
822I90.1Very high89.3Confident31 Ų3156.4 Ų56.416%0.15932%0.316CS..Hα-helixtrans-56.6-41.4-175.4-160.5173.7000112.5L817 S818 K819 K826 L827 Y881L817-I822 HydrophobicContact CB-CB 4.48Å; S818-I822 PolarHBondContact O-N 3.1Å; K819-I822 WeakPolarHBondContact O-CG2 3.36Å; I822-K826 WeakPolarHBondContact O-CB 3.31Å; I822-K826 PolarHBondContact O-N 3.15Å; I822-L827 HydrophobicContact CG1-CD1 4.31Å; I822-L827 HydrophobicContact CG1-CG 4.22Å; I822-L827 HydrophobicContact CG2-CD1 4.14Å; I822-L827 PolarHBondContact O-N 2.61Å; I822-Y881 HydrophobicContact CG2-CE2 4.48Å
823Y91Very high89.6Confident51 Ų5154 Ų5420%0.230%0.303CS..Iπ-helixtrans-66.7-59.9-179.1-178.3-101.1000113.3K821 M825 L827 K828 Y881 K883K821-Y823 VanDerWaalsContact C-N 3.29Å; K821-Y823 PolarHBondContact O-N 3.37Å; Y823-M825 VanDerWaalsContact C-N 3.34Å; Y823-M825 PolarHBondContact O-N 3.05Å; Y823-L827 HydrophobicContact CD2-CB 3.97Å; Y823-L827 HydrophobicContact CD2-CD1 4.49Å; Y823-L827 PolarHBondContact O-N 3.21Å; Y823-K828 HydrophobicContact CE1-CB 4.34Å; Y823-K828 VanDerWaalsContact O-CB 3.26Å; Y823-K828 WeakPolarHBondContact O-CB 3.37Å; Y823-K828 PolarHBondContact O-N 3.31Å; Y823-Y881 AromaticContact CD2-CD1 3.33Å; Y823-Y881 HydrophobicContact CD2-CD1 3.33Å; Y823-Y881 HydrophobicContact CD2-CD2 4.3Å; Y823-Y881 AromaticContact CD2-CE1 3.81Å; Y823-Y881 HydrophobicContact CD2-CE1 3.81Å; Y823-Y881 AromaticContact CD2-CG 3.62Å; Y823-Y881 HydrophobicContact CD2-CG 3.62Å; Y823-Y881 AromaticContact CE2-CD1 3.93Å; Y823-Y881 HydrophobicContact CE2-CD1 3.93Å; Y823-Y881 HydrophobicContact CE2-CG 4.12Å; Y823-Y881 AromaticContact CG-CD1 3.78Å; Y823-Y881 HydrophobicContact CG-CD1 3.78Å; Y823-Y881 AromaticContact CG-CE1 3.81Å; Y823-Y881 HydrophobicContact CG-CE1 3.81Å; Y823-Y881 HydrophobicContact CG-CG 4.45Å; Y823-K883 WeakPolarHBondContact OH-CD 3.38Å
824P90.5Very high89.9Confident56 Ų5650.8 Ų50.836%0.36428%0.281SS..Iπ-helixtrans-65.1-34.4-177.824.7-34.7000113.3P763 K821P763-P824 WeakPolarHBondContact CB-O 3.38Å; P763-P824 WeakPolarHBondContact CG-O 3.34Å; K821-P824 VanDerWaalsContact O-CD 3.27Å; K821-P824 WeakPolarHBondContact O-CD 3.44Å; K821-P824 WeakPolarHBondContact O-CG 3.41Å
825M90.5Very high90.4Very high54 Ų5451.5 Ų51.527%0.26629%0.288SS..Iπ-helixtrans-83-35-175.6-65.2-168.971.100113.9L817 K821 Y823L817-M825 HydrophobicContact CD1-CB 3.89Å; L817-M825 HydrophobicContact CD2-CE 4.39Å; L817-M825 HydrophobicContact CD2-SD 4.03Å; K821-M825 HydrophobicContact CB-CG 4.4Å; K821-M825 HydrophobicContact CB-SD 4.03Å; K821-M825 HydrophobicContact CD-SD 4.34Å; K821-M825 WeakPolarHBondContact O-CB 3.39Å; K821-M825 WeakPolarHBondContact O-CG 3.48Å; K821-M825 PolarHBondContact O-N 3.15Å; K821-M825 VanDerWaalsContact O-N 3.08Å; Y823-M825 VanDerWaalsContact C-N 3.34Å; Y823-M825 PolarHBondContact O-N 3.05Å
826K93Very high91.1Very high28 Ų2848.6 Ų48.612%0.12226%0.258CS..Iπ-helixtrans-123.9-61-171.7-175.6-178.7178.5-1700112.6I811 L817 I822 K828 G829 I830 S872I811-K826 HydrophobicContact CG1-CG 4.27Å; L817-K826 HydrophobicContact CD1-CB 4.1Å; I822-K826 WeakPolarHBondContact O-CB 3.31Å; I822-K826 PolarHBondContact O-N 3.15Å; K826-K828 PolarHBondContact O-N 3.38Å; K826-G829 PolarHBondContact O-N 3.09Å; K826-I830 HydrophobicContact CG-CD1 3.85Å; K826-I830 WeakPolarHBondContact O-CG1 3.33Å; K826-I830 PolarHBondContact O-N 3.18Å; K826-S872 VanDerWaalsContact CE-OG 3.3Å; K826-S872 WeakPolarHBondContact CE-OG 3.2Å; K826-S872 PolarHBondContact NZ-O 3.42Å; K826-S872 PolarHBondContact NZ-OG 2.87Å
827L93.7Very high91.9Very high0 Ų042.5 Ų42.50%022%0.216CC..Iπ-helixtrans-67.2-33.6-168.1-55.5178.7000113.5I822 Y823 I830 S831 V873 D877 Y881 L884I822-L827 HydrophobicContact CG1-CD1 4.31Å; I822-L827 HydrophobicContact CG1-CG 4.22Å; I822-L827 HydrophobicContact CG2-CD1 4.14Å; I822-L827 PolarHBondContact O-N 2.61Å; Y823-L827 HydrophobicContact CD2-CB 3.97Å; Y823-L827 HydrophobicContact CD2-CD1 4.49Å; Y823-L827 PolarHBondContact O-N 3.21Å; L827-I830 PolarHBondContact O-N 2.78Å; L827-S831 WeakPolarHBondContact O-CB 3.19Å; L827-S831 PolarHBondContact O-N 2.85Å; L827-V873 HydrophobicContact CD2-CG1 4.23Å; L827-V873 HydrophobicContact CD2-CG2 3.73Å; L827-D877 HydrophobicContact CD1-CB 4.19Å; L827-Y881 HydrophobicContact CD1-CD2 3.49Å; L827-Y881 VanDerWaalsContact CD1-CD2 3.49Å; L827-Y881 HydrophobicContact CD1-CE2 3.49Å; L827-Y881 VanDerWaalsContact CD1-CE2 3.49Å; L827-Y881 HydrophobicContact CD1-CG 4.37Å; L827-L884 HydrophobicContact CB-CD2 4.3Å; L827-L884 HydrophobicContact CD1-CD2 4.42Å; L827-L884 HydrophobicContact CD2-CD2 4.25Å
828K94.7Very high92.4Very high71 Ų7143.9 Ų43.931%0.30922%0.219SC..Hα-helixtrans-63-42.2177.7-176.6-179.4-178.4-176.90112.1Y823 K826 S831 I832Y823-K828 HydrophobicContact CE1-CB 4.34Å; Y823-K828 VanDerWaalsContact O-CB 3.26Å; Y823-K828 WeakPolarHBondContact O-CB 3.37Å; Y823-K828 PolarHBondContact O-N 3.31Å; K826-K828 PolarHBondContact O-N 3.38Å; K828-S831 PolarHBondContact O-N 3.48Å; K828-I832 HydrophobicContact CG-CD1 4.37Å; K828-I832 WeakPolarHBondContact O-CD1 3.37Å; K828-I832 VanDerWaalsContact O-CG1 3.3Å; K828-I832 WeakPolarHBondContact O-CG1 3.32Å; K828-I832 PolarHBondContact O-N 2.83Å; K828-I832 VanDerWaalsContact O-N 3.15Å
829G95.5Very high92.9Very high2 Ų242.2 Ų42.22%0.02121%0.208CC..Hα-helixtrans-67.6-43.3176.300000112Y807 K826 S831 I832 C833Y807-G829 WeakPolarHBondContact OH-CA 3.49Å; K826-G829 PolarHBondContact O-N 3.09Å; G829-S831 VanDerWaalsContact C-N 3.33Å; G829-S831 PolarHBondContact O-N 3.22Å; G829-I832 PolarHBondContact O-N 3.28Å; G829-I832 VanDerWaalsContact O-N 3.12Å; G829-C833 PolarHBondContact O-N 3.46Å; G829-C833 PolarHBondContact O-SG 2.74Å
830I96Very high93.5Very high0 Ų033.2 Ų33.20%017%0.169CC..Hα-helixtrans-57.1-46.2173.8-65.9174.3000111K826 L827 I832 C833 Y834 M869 V873 L884K826-I830 HydrophobicContact CG-CD1 3.85Å; K826-I830 WeakPolarHBondContact O-CG1 3.33Å; K826-I830 PolarHBondContact O-N 3.18Å; L827-I830 PolarHBondContact O-N 2.78Å; I830-I832 VanDerWaalsContact C-N 3.31Å; I830-I832 PolarHBondContact O-N 3.12Å; I830-C833 WeakPolarHBondContact O-CB 3.31Å; I830-C833 PolarHBondContact O-N 3.46Å; I830-Y834 HydrophobicContact CG2-CD1 4.31Å; I830-Y834 HydrophobicContact CG2-CD2 4.01Å; I830-Y834 HydrophobicContact CG2-CE1 3.82Å; I830-Y834 HydrophobicContact CG2-CE2 3.48Å; I830-Y834 VanDerWaalsContact CG2-CE2 3.48Å; I830-Y834 HydrophobicContact CG2-CG 4.4Å; I830-Y834 PolarHBondContact O-N 3.18Å; I830-M869 HydrophobicContact CD1-CB 4.41Å; I830-M869 HydrophobicContact CG1-CB 4.44Å; I830-M869 HydrophobicContact CG1-CG 4.32Å; I830-M869 HydrophobicContact CG1-SD 4.05Å; I830-M869 HydrophobicContact CG2-CB 4.17Å; I830-M869 HydrophobicContact CG2-SD 4.41Å; I830-V873 HydrophobicContact CD1-CG2 4.2Å; I830-L884 HydrophobicContact CG2-CD1 4.28Å
831S96.6Very high94Very high10 Ų1028 Ų287%0.0714%0.14CC..Hα-helixtrans-57.3-41.5175.91660000112.2L827 K828 G829 Y834 S835 K883 S887L827-S831 WeakPolarHBondContact O-CB 3.19Å; L827-S831 PolarHBondContact O-N 2.85Å; K828-S831 PolarHBondContact O-N 3.48Å; G829-S831 VanDerWaalsContact C-N 3.33Å; G829-S831 PolarHBondContact O-N 3.22Å; S831-Y834 PolarHBondContact O-N 3.41Å; S831-S835 PolarHBondContact O-N 2.78Å; S831-K883 PolarHBondContact OG-O 3.41Å; S831-S887 WeakPolarHBondContact O-CB 3.18Å; S831-S887 PolarHBondContact O-OG 3.37Å; S831-S887 PolarHBondContact OG-OG 2.96Å
832I97.2Very high94.2Very high15 Ų1525.3 Ų25.38%0.07714%0.135CC..Hα-helixtrans-68.2-42.2177.1-62.3158.3000111T767 L770 K771 A774 K828 G829 I830 Y834 S835 A836T767-I832 HydrophobicContact CG2-CD1 3.85Å; L770-I832 HydrophobicContact CB-CB 4.33Å; L770-I832 HydrophobicContact CB-CG2 3.65Å; L770-I832 WeakPolarHBondContact O-CG2 3.3Å; K771-I832 HydrophobicContact CG-CD1 3.96Å; K771-I832 HydrophobicContact CG-CG1 4.36Å; K771-I832 HydrophobicContact CG-CG2 4.28Å; A774-I832 HydrophobicContact CB-CG2 4.19Å; K828-I832 HydrophobicContact CG-CD1 4.37Å; K828-I832 WeakPolarHBondContact O-CD1 3.37Å; K828-I832 VanDerWaalsContact O-CG1 3.3Å; K828-I832 WeakPolarHBondContact O-CG1 3.32Å; K828-I832 PolarHBondContact O-N 2.83Å; K828-I832 VanDerWaalsContact O-N 3.15Å; G829-I832 PolarHBondContact O-N 3.28Å; G829-I832 VanDerWaalsContact O-N 3.12Å; I830-I832 VanDerWaalsContact C-N 3.31Å; I830-I832 PolarHBondContact O-N 3.12Å; I832-Y834 VanDerWaalsContact C-N 3.31Å; I832-Y834 PolarHBondContact O-N 3.14Å; I832-S835 PolarHBondContact O-N 3.41Å; I832-A836 WeakPolarHBondContact O-CB 3.19Å; I832-A836 PolarHBondContact O-N 3.42Å
833C97.5Very high94.1Very high2 Ų224 Ų241%0.01413%0.13CC..Hα-helixtrans-59.7-41174.4-71.10000112.1I804 Y807 G829 I830 A836 L837 M869I804-C833 HydrophobicContact CG2-CB 4.22Å; Y807-C833 VanDerWaalsContact CD1-SG 3.54Å; G829-C833 PolarHBondContact O-N 3.46Å; G829-C833 PolarHBondContact O-SG 2.74Å; I830-C833 WeakPolarHBondContact O-CB 3.31Å; I830-C833 PolarHBondContact O-N 3.46Å; C833-A836 PolarHBondContact O-N 3.25Å; C833-L837 WeakPolarHBondContact O-CB 3.42Å; C833-L837 PolarHBondContact O-N 2.99Å; C833-M869 HydrophobicContact CB-CE 4.24Å; C833-M869 HydrophobicContact CB-SD 4.41Å
834Y97.2Very high93.9Very high2 Ų228.5 Ų28.51%0.00816%0.157CC..Hα-helixtrans-64.7-44.3175.4-68.2-10.9000111.8I830 S831 I832 A836 L837 K838 F866 M869 L870 L884 Y888 L891I830-Y834 HydrophobicContact CG2-CD1 4.31Å; I830-Y834 HydrophobicContact CG2-CD2 4.01Å; I830-Y834 HydrophobicContact CG2-CE1 3.82Å; I830-Y834 HydrophobicContact CG2-CE2 3.48Å; I830-Y834 VanDerWaalsContact CG2-CE2 3.48Å; I830-Y834 HydrophobicContact CG2-CG 4.4Å; I830-Y834 PolarHBondContact O-N 3.18Å; S831-Y834 PolarHBondContact O-N 3.41Å; I832-Y834 VanDerWaalsContact C-N 3.31Å; I832-Y834 PolarHBondContact O-N 3.14Å; Y834-A836 VanDerWaalsContact C-N 3.31Å; Y834-A836 PolarHBondContact O-N 2.86Å; Y834-L837 PolarHBondContact O-N 3.47Å; Y834-K838 VanDerWaalsContact O-CB 3.26Å; Y834-K838 WeakPolarHBondContact O-CB 3.15Å; Y834-K838 PolarHBondContact O-N 3.37Å; Y834-F866 AromaticContact CD1-CD2 3.86Å; Y834-F866 HydrophobicContact CD1-CD2 3.86Å; Y834-F866 HydrophobicContact CD1-CE2 4.34Å; Y834-F866 AromaticContact CE1-CD2 3.44Å; Y834-F866 HydrophobicContact CE1-CD2 3.44Å; Y834-F866 VanDerWaalsContact CE1-CD2 3.44Å; Y834-F866 AromaticContact CE1-CE2 3.96Å; Y834-F866 HydrophobicContact CE1-CE2 3.96Å; Y834-F866 HydrophobicContact CE1-CG 4.5Å; Y834-M869 HydrophobicContact CE1-CB 4.17Å; Y834-M869 HydrophobicContact CE1-CE 4.18Å; Y834-L870 WeakPolarHBondContact OH-CA 3.44Å; Y834-L870 PolarHBondContact OH-N 2.85Å; Y834-L884 HydrophobicContact CD2-CD1 4.2Å; Y834-L884 HydrophobicContact CE2-CD1 4.22Å; Y834-Y888 HydrophobicContact CD2-CD2 4.46Å; Y834-Y888 HydrophobicContact CE2-CD2 4.13Å; Y834-L891 HydrophobicContact CD1-CD2 3.85Å; Y834-L891 HydrophobicContact CG-CD2 3.93Å
835S96.3Very high93.9Very high48 Ų4827 Ų2734%0.33615%0.145SC..Hα-helixtrans-61.5-39.9174.6-174.50000112.1S831 I832 S839S831-S835 PolarHBondContact O-N 2.78Å; I832-S835 PolarHBondContact O-N 3.41Å; S835-S839 PolarHBondContact O-N 2.83Å; S835-S839 PolarHBondContact O-OG 3.39Å; S835-S839 VanDerWaalsContact O-OG 3.1Å
836A96.5Very high93.8Very high1 Ų125.1 Ų25.11%0.00814%0.136CC..Hα-helixtrans-64.9-50177.800000111A774 M777 I804 I832 C833 Y834 K838 S839 A840A774-A836 HydrophobicContact CB-CB 3.86Å; M777-A836 WeakPolarHBondContact CE-O 3.41Å; M777-A836 HydrophobicContact SD-CB 3.8Å; I804-A836 HydrophobicContact CD1-CB 4.26Å; I832-A836 WeakPolarHBondContact O-CB 3.19Å; I832-A836 PolarHBondContact O-N 3.42Å; C833-A836 PolarHBondContact O-N 3.25Å; Y834-A836 VanDerWaalsContact C-N 3.31Å; Y834-A836 PolarHBondContact O-N 2.86Å; A836-K838 VanDerWaalsContact C-N 3.32Å; A836-K838 PolarHBondContact O-N 3.41Å; A836-S839 WeakPolarHBondContact O-CB 3.49Å; A836-S839 PolarHBondContact O-N 3Å; A836-A840 PolarHBondContact O-N 3.45Å
837L96.5Very high93.6Very high2 Ų228.2 Ų28.21%0.0116%0.161CC..Hα-helixtrans-60.1-43.3177.4-176.557.5000111.3F797 I804 C833 Y834 S839 A840 L841 V862 F866 L891F797-L837 HydrophobicContact CE2-CD1 4.39Å; I804-L837 HydrophobicContact CD1-CB 4.41Å; C833-L837 WeakPolarHBondContact O-CB 3.42Å; C833-L837 PolarHBondContact O-N 2.99Å; Y834-L837 PolarHBondContact O-N 3.47Å; L837-S839 VanDerWaalsContact C-N 3.34Å; L837-S839 PolarHBondContact O-N 3.5Å; L837-A840 WeakPolarHBondContact O-CB 3.49Å; L837-A840 PolarHBondContact O-N 3.5Å; L837-A840 VanDerWaalsContact O-N 3.13Å; L837-L841 HydrophobicContact CD1-CD1 4.41Å; L837-L841 HydrophobicContact CD1-CD2 4.33Å; L837-L841 HydrophobicContact CD1-CG 4.16Å; L837-L841 HydrophobicContact CG-CD1 4.19Å; L837-L841 HydrophobicContact CG-CG 4.34Å; L837-L841 WeakPolarHBondContact O-CG 3.34Å; L837-L841 PolarHBondContact O-N 3.49Å; L837-V862 HydrophobicContact CD1-CG1 4.03Å; L837-V862 HydrophobicContact CD1-CG2 3.98Å; L837-V862 HydrophobicContact CD2-CG2 4.32Å; L837-F866 HydrophobicContact CD2-CB 4.08Å; L837-L891 HydrophobicContact CB-CD1 4.18Å; L837-L891 HydrophobicContact CB-CD2 4.42Å; L837-L891 HydrophobicContact CD2-CD1 4.03Å; L837-L891 HydrophobicContact CD2-CD2 4.08Å; L837-L891 HydrophobicContact CG-CD1 3.82Å; L837-L891 HydrophobicContact CG-CD2 4.49Å
838K95.4Very high93.4Very high79 Ų7929.3 Ų29.334%0.34317%0.166SC..Hα-helixtrans-58.3-45.5175.5-177.1-110.2175.7170.20111.7Y834 A836 A840 L841 C842 P890 L891Y834-K838 VanDerWaalsContact O-CB 3.26Å; Y834-K838 WeakPolarHBondContact O-CB 3.15Å; Y834-K838 PolarHBondContact O-N 3.37Å; A836-K838 VanDerWaalsContact C-N 3.32Å; A836-K838 PolarHBondContact O-N 3.41Å; K838-A840 VanDerWaalsContact C-N 3.3Å; K838-A840 PolarHBondContact O-N 3.31Å; K838-L841 PolarHBondContact O-N 3.39Å; K838-C842 WeakPolarHBondContact O-CB 3.4Å; K838-C842 PolarHBondContact O-N 2.99Å; K838-P890 HydrophobicContact CD-CB 4.46Å; K838-P890 HydrophobicContact CG-CB 4.46Å; K838-L891 HydrophobicContact CB-CB 4.06Å; K838-L891 HydrophobicContact CB-CD1 4.11Å; K838-L891 HydrophobicContact CG-CB 4.49Å
839S94.2Very high93.1Very high19 Ų1928.3 Ų28.313%0.13318%0.176CC..Hα-helixtrans-60.5-37.3175.7-68.20000112.7S835 A836 L837 G843S835-S839 PolarHBondContact O-N 2.83Å; S835-S839 PolarHBondContact O-OG 3.39Å; S835-S839 VanDerWaalsContact O-OG 3.1Å; A836-S839 WeakPolarHBondContact O-CB 3.49Å; A836-S839 PolarHBondContact O-N 3Å; L837-S839 VanDerWaalsContact C-N 3.34Å; L837-S839 PolarHBondContact O-N 3.5Å; S839-G843 VanDerWaalsContact O-CA 3.28Å; S839-G843 WeakPolarHBondContact O-CA 3.35Å; S839-G843 PolarHBondContact O-N 3.38Å
840A93.6Very high92.6Very high0 Ų029.9 Ų29.90%019%0.185CC..Hα-helixtrans-66.8-50.7173.700000113.1M777 F797 A836 L837 K838 C842 G843 Y845M777-A840 HydrophobicContact CE-CB 3.15Å; F797-A840 HydrophobicContact CD2-CB 3.68Å; F797-A840 HydrophobicContact CE2-CB 3.81Å; A836-A840 PolarHBondContact O-N 3.45Å; L837-A840 WeakPolarHBondContact O-CB 3.49Å; L837-A840 PolarHBondContact O-N 3.5Å; L837-A840 VanDerWaalsContact O-N 3.13Å; K838-A840 VanDerWaalsContact C-N 3.3Å; K838-A840 PolarHBondContact O-N 3.31Å; A840-C842 PolarHBondContact O-N 3.28Å; A840-G843 PolarHBondContact O-N 2.99Å; A840-Y845 WeakPolarHBondContact CA-OH 3.47Å
841L92.5Very high92.4Very high6 Ų630 Ų303%0.03119%0.186CC..Hα-helixtrans-63.9-44.5-174.3-63.8-177.7000111.3L837 K838 G843 F848 F859 L891 C894 L895L837-L841 HydrophobicContact CD1-CD1 4.41Å; L837-L841 HydrophobicContact CD1-CD2 4.33Å; L837-L841 HydrophobicContact CD1-CG 4.16Å; L837-L841 HydrophobicContact CG-CD1 4.19Å; L837-L841 HydrophobicContact CG-CG 4.34Å; L837-L841 WeakPolarHBondContact O-CG 3.34Å; L837-L841 PolarHBondContact O-N 3.49Å; K838-L841 PolarHBondContact O-N 3.39Å; L841-G843 VanDerWaalsContact C-N 3.31Å; L841-G843 PolarHBondContact O-N 3.18Å; L841-F848 HydrophobicContact CD2-CD2 4.5Å; L841-F848 HydrophobicContact CD2-CE1 4.15Å; L841-F848 HydrophobicContact CD2-CE2 3.88Å; L841-F848 HydrophobicContact CD2-CZ 3.69Å; L841-F859 HydrophobicContact CD2-CE2 3.75Å; L841-F859 HydrophobicContact CD2-CZ 4.46Å; L841-L891 HydrophobicContact CD1-CD1 3.74Å; L841-C894 HydrophobicContact CB-CB 4.23Å; L841-L895 HydrophobicContact CD1-CD2 3.55Å; L841-L895 HydrophobicContact CD1-CG 3.99Å
842C89.9Confident92Very high54 Ų5437.1 Ų37.137%0.36522%0.215SC..THydrogen-bonded Turntrans-88.94.5-179-83.40000112.9K838 A840 C894K838-C842 WeakPolarHBondContact O-CB 3.4Å; K838-C842 PolarHBondContact O-N 2.99Å; A840-C842 PolarHBondContact O-N 3.28Å; C842-C894 WeakPolarHBondContact CB-SG 3.32Å; C842-C894 WeakPolarHBondContact SG-CB 3.3Å; C842-C894 CovalentContact SG-SG 2.07Å; C842-C894 PolarHBondContact SG-SG 3.27Å
843G88.3Confident91.5Very high5 Ų543.4 Ų43.45%0.05225%0.248CC..THydrogen-bonded Turntrans-80.8-14.6-176.700000115N779 S839 A840 L841 Y845N779-G843 PolarHBondContact ND2-O 2.86Å; S839-G843 VanDerWaalsContact O-CA 3.28Å; S839-G843 WeakPolarHBondContact O-CA 3.35Å; S839-G843 PolarHBondContact O-N 3.38Å; A840-G843 PolarHBondContact O-N 2.99Å; L841-G843 VanDerWaalsContact C-N 3.31Å; L841-G843 PolarHBondContact O-N 3.18Å; G843-Y845 PolarHBondContact O-N 3.07Å; G843-Y845 VanDerWaalsContact O-N 3.15Å
844N87.2Confident91.1Very high145 Ų14552.4 Ų52.478%0.77528%0.283SS*.  trans55.325.5178.8-64.6-21.7000116
845Y89.6Confident90.8Very high25 Ų2555.1 Ų55.110%0.09831%0.311CS..SBendtrans-109.5-2.1-179.866.6-93.1000113.9N779 L784 F786 L796 A840 G843N779-Y845 HydrophobicContact CB-CD1 4.47Å; L784-Y845 HydrophobicContact CB-CD1 3.93Å; L784-Y845 HydrophobicContact CB-CG 3.9Å; L784-Y845 HydrophobicContact CD1-CD1 3.64Å; L784-Y845 HydrophobicContact CD1-CE1 3.53Å; L784-Y845 HydrophobicContact CD1-CE2 4.47Å; L784-Y845 HydrophobicContact CD1-CG 4.2Å; L784-Y845 HydrophobicContact CG-CD1 4.43Å; L784-Y845 WeakPolarHBondContact O-CB 3.38Å; F786-Y845 HydrophobicContact CE2-CD2 4.3Å; L796-Y845 HydrophobicContact CD2-CE2 4Å; L796-Y845 HydrophobicContact CG-CE2 4.48Å; A840-Y845 WeakPolarHBondContact CA-OH 3.47Å; G843-Y845 PolarHBondContact O-N 3.07Å; G843-Y845 VanDerWaalsContact O-N 3.15Å
846V89.6Confident90.5Very high14 Ų1454 Ų549%0.08530%0.302CS..  trans-134.7130.2175.9179.80000110.2G793 I794 F797 F848 F851G793-V846 WeakPolarHBondContact O-CG2 3.26Å; I794-V846 HydrophobicContact CG1-CG1 4.33Å; F797-V846 HydrophobicContact CB-CG2 4.03Å; V846-F848 HydrophobicContact CB-CE1 4.23Å; V846-F848 HydrophobicContact CB-CZ 4.26Å; V846-F848 HydrophobicContact CG1-CD1 4.09Å; V846-F848 HydrophobicContact CG1-CE1 4.09Å; V846-F848 PolarHBondContact O-N 3.26Å; V846-F851 HydrophobicContact CG1-CE2 3.7Å; V846-F851 HydrophobicContact CG1-CZ 4.3Å
847S88.4Confident90.4Very high92 Ų9258.6 Ų58.664%0.64333%0.326SS*.  trans-84.897.3166-69.10000109.7G849 V850S847-G849 PolarHBondContact O-N 3.47Å; S847-V850 VanDerWaalsContact O-CB 3.26Å; S847-V850 WeakPolarHBondContact O-CB 3.41Å; S847-V850 VanDerWaalsContact O-CG2 3.27Å; S847-V850 WeakPolarHBondContact O-CG2 3.4Å; S847-V850 PolarHBondContact O-N 2.95Å
848F89.6Confident90.2Very high23 Ų2360.4 Ų60.410%0.10133%0.334CS..THydrogen-bonded Turntrans-60.2-21.4-173.1-65.4-72.8000115F797 L841 V846 V850 F851 F859 H899F797-F848 HydrophobicContact CD1-CE1 4.17Å; F797-F848 AromaticContact CD2-CE1 3.69Å; F797-F848 HydrophobicContact CD2-CE1 3.69Å; F797-F848 HydrophobicContact CD2-CZ 4.27Å; F797-F848 HydrophobicContact CE1-CD1 4.25Å; F797-F848 AromaticContact CE1-CE1 3.95Å; F797-F848 HydrophobicContact CE1-CE1 3.95Å; F797-F848 HydrophobicContact CE2-CD1 4.46Å; F797-F848 AromaticContact CE2-CE1 3.47Å; F797-F848 HydrophobicContact CE2-CE1 3.47Å; F797-F848 VanDerWaalsContact CE2-CE1 3.47Å; F797-F848 HydrophobicContact CE2-CZ 4.12Å; F797-F848 HydrophobicContact CG-CE1 4.03Å; F797-F848 HydrophobicContact CZ-CD1 4.17Å; F797-F848 AromaticContact CZ-CE1 3.59Å; F797-F848 HydrophobicContact CZ-CE1 3.59Å; L841-F848 HydrophobicContact CD2-CD2 4.5Å; L841-F848 HydrophobicContact CD2-CE1 4.15Å; L841-F848 HydrophobicContact CD2-CE2 3.88Å; L841-F848 HydrophobicContact CD2-CZ 3.69Å; V846-F848 HydrophobicContact CB-CE1 4.23Å; V846-F848 HydrophobicContact CB-CZ 4.26Å; V846-F848 HydrophobicContact CG1-CD1 4.09Å; V846-F848 HydrophobicContact CG1-CE1 4.09Å; V846-F848 PolarHBondContact O-N 3.26Å; F848-V850 PolarHBondContact O-N 3.4Å; F848-V850 VanDerWaalsContact O-N 3.17Å; F848-F851 HydrophobicContact CD1-CD2 4.15Å; F848-F851 AromaticContact CD1-CE2 3.92Å; F848-F851 HydrophobicContact CD1-CE2 3.92Å; F848-F851 HydrophobicContact CE1-CE2 4.48Å; F848-F851 WeakPolarHBondContact O-CD2 3.43Å; F848-F851 PolarHBondContact O-N 2.98Å; F848-F859 HydrophobicContact CB-CD2 4.26Å; F848-F859 HydrophobicContact CB-CE1 4.39Å; F848-F859 HydrophobicContact CB-CE2 4.11Å; F848-F859 HydrophobicContact CB-CG 4.48Å; F848-F859 HydrophobicContact CB-CZ 4.18Å; F848-F859 AromaticContact CD1-CD2 3.34Å; F848-F859 HydrophobicContact CD1-CD2 3.34Å; F848-F859 AromaticContact CD1-CE2 3.45Å; F848-F859 HydrophobicContact CD1-CE2 3.45Å; F848-F859 VanDerWaalsContact CD1-CE2 3.45Å; F848-F859 HydrophobicContact CD1-CG 4.16Å; F848-F859 HydrophobicContact CD1-CZ 4.34Å; F848-F859 HydrophobicContact CD2-CE2 4.42Å; F848-F859 AromaticContact CE1-CD2 3.94Å; F848-F859 HydrophobicContact CE1-CD2 3.94Å; F848-F859 AromaticContact CE1-CE2 3.97Å; F848-F859 HydrophobicContact CE1-CE2 3.97Å; F848-F859 AromaticContact CG-CD2 3.99Å; F848-F859 HydrophobicContact CG-CD2 3.99Å; F848-F859 AromaticContact CG-CE2 3.72Å; F848-F859 HydrophobicContact CG-CE2 3.72Å; F848-F859 HydrophobicContact CG-CZ 4.2Å; F848-H899 AromaticContact CD2-CE1 3.73Å; F848-H899 AromaticContact CD2-NE2 3.75Å
849G86.9Confident90.2Very high51 Ų5157.7 Ų57.753%0.52632%0.323SS..Hα-helixtrans-60-23.3173.600000114S847 F851 K852 L853S847-G849 PolarHBondContact O-N 3.47Å; G849-F851 VanDerWaalsContact C-N 3.27Å; G849-F851 PolarHBondContact O-N 3.11Å; G849-K852 PolarHBondContact O-N 2.82Å; G849-L853 WeakPolarHBondContact O-CG 3.31Å; G849-L853 PolarHBondContact O-N 2.89Å
850V86.7Confident90.1Very high34 Ų3460.7 Ų60.721%0.20634%0.337CS..Hα-helixtrans-62-34.1178.3175.10000112.2I794 S847 F848 K852 L853 Y854I794-V850 HydrophobicContact CD1-CG1 3.85Å; S847-V850 VanDerWaalsContact O-CB 3.26Å; S847-V850 WeakPolarHBondContact O-CB 3.41Å; S847-V850 VanDerWaalsContact O-CG2 3.27Å; S847-V850 WeakPolarHBondContact O-CG2 3.4Å; S847-V850 PolarHBondContact O-N 2.95Å; F848-V850 PolarHBondContact O-N 3.4Å; F848-V850 VanDerWaalsContact O-N 3.17Å; V850-K852 PolarHBondContact O-N 3.49Å; V850-L853 PolarHBondContact O-N 3.49Å; V850-Y854 HydrophobicContact CG1-CD2 3.36Å; V850-Y854 HydrophobicContact CG1-CE2 3.35Å; V850-Y854 WeakPolarHBondContact O-CD2 3.4Å; V850-Y854 PolarHBondContact O-N 3.43Å
851F91Very high90.2Very high4 Ų464.7 Ų64.72%0.01836%0.359CS..Hα-helixtrans-60.5-48177.3-71.3-69.6000111.7I794 F797 R798 V846 F848 G849 L853 Y854 G855 D856 H858 F859I794-F851 HydrophobicContact CG2-CE1 3.93Å; I794-F851 HydrophobicContact CG2-CZ 3.82Å; F797-F851 HydrophobicContact CB-CZ 4.45Å; F797-F851 HydrophobicContact CD1-CE1 4.21Å; F797-F851 AromaticContact CD1-CE2 3.54Å; F797-F851 HydrophobicContact CD1-CE2 3.54Å; F797-F851 AromaticContact CD1-CZ 3.33Å; F797-F851 HydrophobicContact CD1-CZ 3.33Å; F797-F851 AromaticContact CE1-CE2 3.85Å; F797-F851 HydrophobicContact CE1-CE2 3.85Å; F797-F851 AromaticContact CE1-CZ 3.97Å; F797-F851 HydrophobicContact CE1-CZ 3.97Å; F797-F851 HydrophobicContact CG-CE2 4.41Å; F797-F851 HydrophobicContact CG-CZ 4.25Å; R798-F851 HydrophobicContact CG-CE1 3.69Å; R798-F851 HydrophobicContact CG-CZ 4.26Å; V846-F851 HydrophobicContact CG1-CE2 3.7Å; V846-F851 HydrophobicContact CG1-CZ 4.3Å; F848-F851 HydrophobicContact CD1-CD2 4.15Å; F848-F851 AromaticContact CD1-CE2 3.92Å; F848-F851 HydrophobicContact CD1-CE2 3.92Å; F848-F851 HydrophobicContact CE1-CE2 4.48Å; F848-F851 WeakPolarHBondContact O-CD2 3.43Å; F848-F851 PolarHBondContact O-N 2.98Å; G849-F851 VanDerWaalsContact C-N 3.27Å; G849-F851 PolarHBondContact O-N 3.11Å; F851-L853 VanDerWaalsContact C-N 3.31Å; F851-L853 PolarHBondContact O-N 2.95Å; F851-Y854 PolarHBondContact O-N 3.29Å; F851-G855 PolarHBondContact O-N 2.86Å; F851-G855 VanDerWaalsContact O-N 3.13Å; F851-D856 CarbonylContact C-O 3.54Å; F851-D856 WeakPolarHBondContact CB-O 3.44Å; F851-D856 HydrophobicContact CD1-CB 3.91Å; F851-D856 PolarHBondContact O-N 3.5Å; F851-H858 HydrophobicContact CE1-CB 4.38Å; F851-F859 HydrophobicContact CB-CB 4.04Å; F851-F859 HydrophobicContact CD2-CB 3.82Å; F851-F859 HydrophobicContact CD2-CG 4.49Å; F851-F859 HydrophobicContact CG-CB 3.93Å
852K87.2Confident90.4Very high158 Ų15864.4 Ų64.469%0.68736%0.357SS*.Hα-helixtrans-63.9-36176.2-170.5176179.7-178.80112.2G849 V850 G855 E960G849-K852 PolarHBondContact O-N 2.82Å; V850-K852 PolarHBondContact O-N 3.49Å; K852-G855 PolarHBondContact O-N 3.49Å; K852-E960 IonicContact NZ-OE2 3.55Å
853L87.8Confident90.6Very high147 Ų14761.9 Ų61.977%0.7734%0.34SS*.Hα-helixtrans-67-38.3179.6-71.9171.6000112.8G849 V850 F851G849-L853 WeakPolarHBondContact O-CG 3.31Å; G849-L853 PolarHBondContact O-N 2.89Å; V850-L853 PolarHBondContact O-N 3.49Å; F851-L853 VanDerWaalsContact C-N 3.31Å; F851-L853 PolarHBondContact O-N 2.95Å
854Y89.5Confident90.9Very high192 Ų19266.4 Ų66.475%0.75336%0.36SS*.Hα-helixtrans-90.41178.6-69.9-62.6000114.2V850 F851 D856V850-Y854 HydrophobicContact CG1-CD2 3.36Å; V850-Y854 HydrophobicContact CG1-CE2 3.35Å; V850-Y854 WeakPolarHBondContact O-CD2 3.4Å; V850-Y854 PolarHBondContact O-N 3.43Å; F851-Y854 PolarHBondContact O-N 3.29Å; Y854-D856 PolarHBondContact O-N 2.63Å
855G89.5Confident91.3Very high58 Ų5859.6 Ų59.660%0.59832%0.324SS*.THydrogen-bonded Turntrans67.128.3-174.900000112.9F851 K852F851-G855 PolarHBondContact O-N 2.86Å; F851-G855 VanDerWaalsContact O-N 3.13Å; K852-G855 PolarHBondContact O-N 3.49Å
856D90.7Very high91.6Very high25 Ų2558.5 Ų58.513%0.13432%0.32CS..  trans-93.4117.1178.8-176.7-31.3000109.7R798 F851 Y854 H858R798-D856 WeakPolarHBondContact CD-OD2 3.46Å; R798-D856 IonicContact CZ-OD2 3.72Å; R798-D856 IonicContact NE-OD2 3.44Å; R798-D856 PolarHBondContact NE-OD2 2.85Å; R798-D856 IonicContact NH1-OD2 2.8Å; F851-D856 CarbonylContact C-O 3.54Å; F851-D856 WeakPolarHBondContact CB-O 3.44Å; F851-D856 HydrophobicContact CD1-CB 3.91Å; F851-D856 PolarHBondContact O-N 3.5Å; Y854-D856 PolarHBondContact O-N 2.63Å; D856-H858 PolarHBondContact O-N 3.26Å; D856-H858 WeakPolarHBondContact OD1-CB 3.27Å; D856-H858 IonicContact OD1-CE1 2.8Å; D856-H858 IonicContact OD1-CG 3.92Å; D856-H858 PolarHBondContact OD1-N 2.96Å; D856-H858 IonicContact OD1-ND1 3.86Å; D856-H858 PolarHBondContact OD1-ND1 3.46Å; D856-H858 IonicContact OD2-ND1 2.64Å; D856-H858 PolarHBondContact OD2-ND1 3.26Å
857N93.6Very high91.8Very high98 Ų9858.3 Ų58.352%0.52432%0.318SS..THydrogen-bonded Turntrans-87.25.8-175.1-60.7-28.4000114.3F859 D860 N861N857-F859 VanDerWaalsContact C-N 3.27Å; N857-F859 PolarHBondContact O-N 2.97Å; N857-D860 PolarHBondContact O-N 3.21Å; N857-N861 VanDerWaalsContact O-CB 3.31Å; N857-N861 WeakPolarHBondContact O-CB 3.48Å; N857-N861 PolarHBondContact O-N 3.12Å; N857-N861 PolarHBondContact O-ND2 2.07Å
858H93.7Very high92.1Very high39 Ų3958.7 Ų58.718%0.18131%0.308CS..Hα-helixtrans-60.6-35.8-176.1-73.779.9000112.3R798 S801 F851 D856 V862R798-H858 HydrophobicContact CG-CB 4.29Å; S801-H858 PolarHBondContact OG-O 3.22Å; F851-H858 HydrophobicContact CE1-CB 4.38Å; D856-H858 PolarHBondContact O-N 3.26Å; D856-H858 WeakPolarHBondContact OD1-CB 3.27Å; D856-H858 IonicContact OD1-CE1 2.8Å; D856-H858 IonicContact OD1-CG 3.92Å; D856-H858 PolarHBondContact OD1-N 2.96Å; D856-H858 IonicContact OD1-ND1 3.86Å; D856-H858 PolarHBondContact OD1-ND1 3.46Å; D856-H858 IonicContact OD2-ND1 2.64Å; D856-H858 PolarHBondContact OD2-ND1 3.26Å; H858-V862 PolarHBondContact O-N 2.8Å
859F94.5Very high92.3Very high22 Ų2257.7 Ų57.710%0.09630%0.304CS..Hα-helixtrans-66.8-48.7176.2-176-115.2000111.9F797 L841 F848 F851 N857 N861 V862 L863 H899F797-F859 HydrophobicContact CE1-CB 4.23Å; F797-F859 AromaticContact CE1-CD2 3.99Å; F797-F859 HydrophobicContact CE1-CD2 3.99Å; F797-F859 AromaticContact CZ-CD2 3.72Å; F797-F859 HydrophobicContact CZ-CD2 3.72Å; F797-F859 HydrophobicContact CZ-CE2 4.44Å; L841-F859 HydrophobicContact CD2-CE2 3.75Å; L841-F859 HydrophobicContact CD2-CZ 4.46Å; F848-F859 HydrophobicContact CB-CD2 4.26Å; F848-F859 HydrophobicContact CB-CE1 4.39Å; F848-F859 HydrophobicContact CB-CE2 4.11Å; F848-F859 HydrophobicContact CB-CG 4.48Å; F848-F859 HydrophobicContact CB-CZ 4.18Å; F848-F859 AromaticContact CD1-CD2 3.34Å; F848-F859 HydrophobicContact CD1-CD2 3.34Å; F848-F859 AromaticContact CD1-CE2 3.45Å; F848-F859 HydrophobicContact CD1-CE2 3.45Å; F848-F859 VanDerWaalsContact CD1-CE2 3.45Å; F848-F859 HydrophobicContact CD1-CG 4.16Å; F848-F859 HydrophobicContact CD1-CZ 4.34Å; F848-F859 HydrophobicContact CD2-CE2 4.42Å; F848-F859 AromaticContact CE1-CD2 3.94Å; F848-F859 HydrophobicContact CE1-CD2 3.94Å; F848-F859 AromaticContact CE1-CE2 3.97Å; F848-F859 HydrophobicContact CE1-CE2 3.97Å; F848-F859 AromaticContact CG-CD2 3.99Å; F848-F859 HydrophobicContact CG-CD2 3.99Å; F848-F859 AromaticContact CG-CE2 3.72Å; F848-F859 HydrophobicContact CG-CE2 3.72Å; F848-F859 HydrophobicContact CG-CZ 4.2Å; F851-F859 HydrophobicContact CB-CB 4.04Å; F851-F859 HydrophobicContact CD2-CB 3.82Å; F851-F859 HydrophobicContact CD2-CG 4.49Å; F851-F859 HydrophobicContact CG-CB 3.93Å; N857-F859 VanDerWaalsContact C-N 3.27Å; N857-F859 PolarHBondContact O-N 2.97Å; F859-N861 VanDerWaalsContact C-N 3.34Å; F859-N861 PolarHBondContact O-N 3.17Å; F859-V862 VanDerWaalsContact O-CG1 3.24Å; F859-V862 WeakPolarHBondContact O-CG1 3.39Å; F859-V862 PolarHBondContact O-N 3.49Å; F859-L863 HydrophobicContact CD1-CD1 4.03Å; F859-L863 HydrophobicContact CE1-CD1 3.53Å; F859-L863 HydrophobicContact CE1-CG 4.49Å; F859-L863 HydrophobicContact CE2-CD1 4.23Å; F859-L863 HydrophobicContact CE2-CG 4.43Å; F859-L863 HydrophobicContact CZ-CD1 3.64Å; F859-L863 HydrophobicContact CZ-CG 4.3Å; F859-L863 WeakPolarHBondContact O-CG 3.41Å; F859-L863 PolarHBondContact O-N 2.93Å; F859-H899 AromaticContact CZ-CE1 3.48Å; F859-H899 VanDerWaalsContact CZ-CE1 3.48Å; F859-H899 WeakPolarHBondContact CZ-CE1 3.38Å; F859-H899 AromaticContact CZ-CG 3.96Å; F859-H899 AromaticContact CZ-ND1 3.55Å; F859-H899 AromaticContact CZ-NE2 3.84Å
860D93.1Very high92.7Very high82 Ų8255.2 Ų55.244%0.43928%0.279SS..Hα-helixtrans-64-40.3179.1-65.4-42.1000111.6N857 V862 L863 Q864N857-D860 PolarHBondContact O-N 3.21Å; D860-V862 PolarHBondContact O-N 2.86Å; D860-L863 PolarHBondContact O-N 3.24Å; D860-Q864 VanDerWaalsContact O-CG 3.31Å; D860-Q864 WeakPolarHBondContact O-CG 3.33Å; D860-Q864 PolarHBondContact O-N 3.25Å
861N95Very high93Very high84 Ų8457.9 Ų57.945%0.44929%0.291SS..Hα-helixtrans-60.3-43.5178.7-72.4-19.2000112.5C805 N857 F859 Q864 A865C805-N861 PolarHBondContact SG-O 3.43Å; N857-N861 VanDerWaalsContact O-CB 3.31Å; N857-N861 WeakPolarHBondContact O-CB 3.48Å; N857-N861 PolarHBondContact O-N 3.12Å; N857-N861 PolarHBondContact O-ND2 2.07Å; F859-N861 VanDerWaalsContact C-N 3.34Å; F859-N861 PolarHBondContact O-N 3.17Å; N861-Q864 PolarHBondContact O-N 3.19Å; N861-A865 PolarHBondContact O-N 2.97Å
862V96.1Very high93Very high0 Ų059.3 Ų59.30%030%0.302CS..Hα-helixtrans-71.1-34.2-179.571.10000111.8F797 I804 L837 H858 F859 D860 A865 F866F797-V862 HydrophobicContact CE1-CG1 4.49Å; F797-V862 HydrophobicContact CZ-CG1 3.79Å; I804-V862 HydrophobicContact CB-CG2 3.96Å; I804-V862 HydrophobicContact CD1-CG2 4.16Å; I804-V862 HydrophobicContact CG2-CG2 3.66Å; L837-V862 HydrophobicContact CD1-CG1 4.03Å; L837-V862 HydrophobicContact CD1-CG2 3.98Å; L837-V862 HydrophobicContact CD2-CG2 4.32Å; H858-V862 PolarHBondContact O-N 2.8Å; F859-V862 VanDerWaalsContact O-CG1 3.24Å; F859-V862 WeakPolarHBondContact O-CG1 3.39Å; F859-V862 PolarHBondContact O-N 3.49Å; D860-V862 PolarHBondContact O-N 2.86Å; V862-A865 PolarHBondContact O-N 3.4Å; V862-F866 WeakPolarHBondContact O-CB 3.34Å; V862-F866 PolarHBondContact O-N 3.46Å
863L94.8Very high93.2Very high1 Ų152 Ų521%0.00527%0.27CS..Hα-helixtrans-65.8-38.9173-68.5-178.2000111.8F859 D860 F866 V867 L895 F902F859-L863 HydrophobicContact CD1-CD1 4.03Å; F859-L863 HydrophobicContact CE1-CD1 3.53Å; F859-L863 HydrophobicContact CE1-CG 4.49Å; F859-L863 HydrophobicContact CE2-CD1 4.23Å; F859-L863 HydrophobicContact CE2-CG 4.43Å; F859-L863 HydrophobicContact CZ-CD1 3.64Å; F859-L863 HydrophobicContact CZ-CG 4.3Å; F859-L863 WeakPolarHBondContact O-CG 3.41Å; F859-L863 PolarHBondContact O-N 2.93Å; D860-L863 PolarHBondContact O-N 3.24Å; L863-F866 WeakPolarHBondContact O-CB 3.32Å; L863-F866 PolarHBondContact O-N 2.93Å; L863-V867 WeakPolarHBondContact O-CG2 3.44Å; L863-V867 PolarHBondContact O-N 2.95Å; L863-V867 VanDerWaalsContact O-N 3.07Å; L863-L895 HydrophobicContact CD2-CD2 3.57Å; L863-F902 HydrophobicContact CB-CD2 4.14Å; L863-F902 HydrophobicContact CB-CE1 4.21Å; L863-F902 HydrophobicContact CB-CE2 3.61Å; L863-F902 HydrophobicContact CB-CZ 3.64Å; L863-F902 HydrophobicContact CD1-CB 4.23Å; L863-F902 HydrophobicContact CD1-CD1 4.14Å; L863-F902 HydrophobicContact CD1-CD2 3.75Å; L863-F902 HydrophobicContact CD1-CE1 4.46Å; L863-F902 HydrophobicContact CD1-CE2 4.1Å; L863-F902 HydrophobicContact CD1-CG 3.77Å; L863-F902 HydrophobicContact CD1-CZ 4.43Å; L863-F902 HydrophobicContact CD2-CD1 4.37Å; L863-F902 HydrophobicContact CD2-CE1 4.19Å; L863-F902 HydrophobicContact CD2-CZ 4.47Å; L863-F902 HydrophobicContact CG-CE2 4.41Å; L863-F902 HydrophobicContact CG-CZ 4.4Å
864Q94.4Very high93.3Very high101 Ų10147.1 Ų47.147%0.47225%0.248SC..Hα-helixtrans-66.1-40.9172.5-69.3-62.3-19.500112.1D860 N861 F866 V867 K868D860-Q864 VanDerWaalsContact O-CG 3.31Å; D860-Q864 WeakPolarHBondContact O-CG 3.33Å; D860-Q864 PolarHBondContact O-N 3.25Å; N861-Q864 PolarHBondContact O-N 3.19Å; Q864-F866 VanDerWaalsContact C-N 3.32Å; Q864-F866 PolarHBondContact O-N 3.38Å; Q864-V867 PolarHBondContact O-N 3.02Å; Q864-K868 WeakPolarHBondContact O-CG 3.29Å; Q864-K868 PolarHBondContact O-N 3.41Å
865A95.1Very high93.1Very high2 Ų240 Ų402%0.01722%0.222CC..Hα-helixtrans-62.1-40.117400000111.8N861 V862 K868 M869N861-A865 PolarHBondContact O-N 2.97Å; V862-A865 PolarHBondContact O-N 3.4Å; A865-K868 PolarHBondContact O-N 3.33Å; A865-M869 HydrophobicContact CB-CE 4.46Å; A865-M869 WeakPolarHBondContact O-CB 3.31Å; A865-M869 WeakPolarHBondContact O-CE 3.48Å; A865-M869 WeakPolarHBondContact O-CG 3.42Å; A865-M869 PolarHBondContact O-N 3.49Å
866F95.6Very high92.9Very high2 Ų240.9 Ų40.91%0.00922%0.219CC..Hα-helixtrans-56-49.9172.4159.4-103000111.7Y834 L837 V862 L863 Q864 M869 L870 Y888 L891 L895 F902Y834-F866 AromaticContact CD1-CD2 3.86Å; Y834-F866 HydrophobicContact CD1-CD2 3.86Å; Y834-F866 HydrophobicContact CD1-CE2 4.34Å; Y834-F866 AromaticContact CE1-CD2 3.44Å; Y834-F866 HydrophobicContact CE1-CD2 3.44Å; Y834-F866 VanDerWaalsContact CE1-CD2 3.44Å; Y834-F866 AromaticContact CE1-CE2 3.96Å; Y834-F866 HydrophobicContact CE1-CE2 3.96Å; Y834-F866 HydrophobicContact CE1-CG 4.5Å; L837-F866 HydrophobicContact CD2-CB 4.08Å; V862-F866 WeakPolarHBondContact O-CB 3.34Å; V862-F866 PolarHBondContact O-N 3.46Å; L863-F866 WeakPolarHBondContact O-CB 3.32Å; L863-F866 PolarHBondContact O-N 2.93Å; Q864-F866 VanDerWaalsContact C-N 3.32Å; Q864-F866 PolarHBondContact O-N 3.38Å; F866-M869 PolarHBondContact O-N 3.12Å; F866-L870 HydrophobicContact CE1-CD2 4.46Å; F866-L870 HydrophobicContact CZ-CD2 4.13Å; F866-L870 WeakPolarHBondContact O-CB 3.39Å; F866-L870 PolarHBondContact O-N 2.94Å; F866-Y888 HydrophobicContact CE2-CD2 4.12Å; F866-Y888 HydrophobicContact CE2-CE2 4.14Å; F866-Y888 HydrophobicContact CZ-CD2 4.42Å; F866-Y888 AromaticContact CZ-CE2 3.98Å; F866-Y888 HydrophobicContact CZ-CE2 3.98Å; F866-L891 HydrophobicContact CD2-CD2 3.56Å; F866-L891 HydrophobicContact CE2-CD2 3.55Å; F866-L891 HydrophobicContact CE2-CG 4.23Å; F866-L895 HydrophobicContact CD1-CD1 4.07Å; F866-L895 HydrophobicContact CE1-CD1 3.6Å; F866-L895 HydrophobicContact CZ-CD1 3.85Å; F866-F902 HydrophobicContact CD1-CE1 4.45Å
867V94.8Very high92.8Very high9 Ų941.1 Ų41.16%0.05522%0.22CC..Hα-helixtrans-61.7-46.6179.1170.60000111.4L863 Q864 M869 L870 L871 F902 L906 V910L863-V867 WeakPolarHBondContact O-CG2 3.44Å; L863-V867 PolarHBondContact O-N 2.95Å; L863-V867 VanDerWaalsContact O-N 3.07Å; Q864-V867 PolarHBondContact O-N 3.02Å; V867-M869 VanDerWaalsContact C-N 3.32Å; V867-M869 PolarHBondContact O-N 3.05Å; V867-L870 WeakPolarHBondContact O-CB 3.42Å; V867-L870 PolarHBondContact O-N 3.1Å; V867-L870 VanDerWaalsContact O-N 3.11Å; V867-L871 HydrophobicContact CG1-CD1 4.04Å; V867-L871 HydrophobicContact CG1-CG 4.39Å; V867-L871 WeakPolarHBondContact O-CG 3.46Å; V867-L871 PolarHBondContact O-N 3.01Å; V867-F902 HydrophobicContact CG2-CE1 4.48Å; V867-F902 HydrophobicContact CG2-CZ 3.71Å; V867-L906 HydrophobicContact CG2-CD2 3.68Å; V867-V910 HydrophobicContact CG1-CG1 3.65Å; V867-V910 HydrophobicContact CG1-CG2 4.11Å; V867-V910 HydrophobicContact CG2-CG1 4.41Å
868K94.9Very high92.5Very high101 Ų10136.5 Ų36.544%0.43920%0.196SC..Hα-helixtrans-60.4-42.2178.1-69.6179-176.7-178.40112.2N809 L812 Q864 A865 L870 S872N809-K868 PolarHBondContact OD1-NZ 3.1Å; L812-K868 HydrophobicContact CD1-CB 3.59Å; Q864-K868 WeakPolarHBondContact O-CG 3.29Å; Q864-K868 PolarHBondContact O-N 3.41Å; A865-K868 PolarHBondContact O-N 3.33Å; K868-L870 VanDerWaalsContact C-N 3.34Å; K868-S872 PolarHBondContact O-N 3.42Å
869M94.8Very high92.1Very high1 Ų137 Ų371%0.00520%0.199CC..Hα-helixtrans-64.3-40.2174.7-73.4-174.7-73.100111.4I804 I830 C833 Y834 A865 F866 V867 S872I804-M869 HydrophobicContact CG2-CE 4.07Å; I830-M869 HydrophobicContact CD1-CB 4.41Å; I830-M869 HydrophobicContact CG1-CB 4.44Å; I830-M869 HydrophobicContact CG1-CG 4.32Å; I830-M869 HydrophobicContact CG1-SD 4.05Å; I830-M869 HydrophobicContact CG2-CB 4.17Å; I830-M869 HydrophobicContact CG2-SD 4.41Å; C833-M869 HydrophobicContact CB-CE 4.24Å; C833-M869 HydrophobicContact CB-SD 4.41Å; Y834-M869 HydrophobicContact CE1-CB 4.17Å; Y834-M869 HydrophobicContact CE1-CE 4.18Å; A865-M869 HydrophobicContact CB-CE 4.46Å; A865-M869 WeakPolarHBondContact O-CB 3.31Å; A865-M869 WeakPolarHBondContact O-CE 3.48Å; A865-M869 WeakPolarHBondContact O-CG 3.42Å; A865-M869 PolarHBondContact O-N 3.49Å; F866-M869 PolarHBondContact O-N 3.12Å; V867-M869 VanDerWaalsContact C-N 3.32Å; V867-M869 PolarHBondContact O-N 3.05Å; M869-S872 WeakPolarHBondContact O-CB 3.38Å; M869-S872 PolarHBondContact O-N 3.17Å; M869-S872 VanDerWaalsContact O-N 3.13Å; M869-S872 PolarHBondContact O-OG 3.4Å
870L93.4Very high91.7Very high0 Ų042.5 Ų42.50%023%0.226CC..Hα-helixtrans-61.9-48.2-179.2-178.161.8000111.6Y834 F866 V867 K868 S872 V873 Y888 Y913 V914Y834-L870 WeakPolarHBondContact OH-CA 3.44Å; Y834-L870 PolarHBondContact OH-N 2.85Å; F866-L870 HydrophobicContact CE1-CD2 4.46Å; F866-L870 HydrophobicContact CZ-CD2 4.13Å; F866-L870 WeakPolarHBondContact O-CB 3.39Å; F866-L870 PolarHBondContact O-N 2.94Å; V867-L870 WeakPolarHBondContact O-CB 3.42Å; V867-L870 PolarHBondContact O-N 3.1Å; V867-L870 VanDerWaalsContact O-N 3.11Å; K868-L870 VanDerWaalsContact C-N 3.34Å; L870-S872 PolarHBondContact O-N 3.38Å; L870-S872 VanDerWaalsContact O-N 3.1Å; L870-V873 PolarHBondContact O-N 3.42Å; L870-V873 VanDerWaalsContact O-N 3.09Å; L870-Y888 HydrophobicContact CD1-CD2 3.75Å; L870-Y888 HydrophobicContact CD1-CE2 3.21Å; L870-Y888 HydrophobicContact CD2-CE2 3.9Å; L870-Y888 HydrophobicContact CG-CE2 4.17Å; L870-Y913 HydrophobicContact CD1-CD1 4.2Å; L870-Y913 HydrophobicContact CD1-CE1 3.45Å; L870-Y913 VanDerWaalsContact CD1-CE1 3.45Å; L870-Y913 HydrophobicContact CD2-CD1 3.9Å; L870-Y913 HydrophobicContact CD2-CE1 4.02Å; L870-Y913 HydrophobicContact CG-CD1 3.85Å; L870-Y913 HydrophobicContact CG-CE1 3.53Å; L870-Y913 PolarHBondContact O-OH 3.31Å; L870-V914 HydrophobicContact CD2-CG2 4.02Å
871L92.9Very high91.5Very high90 Ų9040.9 Ų40.947%0.47121%0.214SC..Hα-helixtrans-64.9-15.3178.3-64175.3000113.3V867 V873 V910 Y913V867-L871 HydrophobicContact CG1-CD1 4.04Å; V867-L871 HydrophobicContact CG1-CG 4.39Å; V867-L871 WeakPolarHBondContact O-CG 3.46Å; V867-L871 PolarHBondContact O-N 3.01Å; L871-V873 VanDerWaalsContact C-N 3.33Å; L871-V910 HydrophobicContact CD1-CG2 3.92Å; L871-V910 HydrophobicContact CD2-CG1 4.43Å; L871-V910 HydrophobicContact CD2-CG2 4.18Å; L871-V910 HydrophobicContact CG-CG2 4.49Å; L871-Y913 HydrophobicContact CD2-CD2 4.3Å; L871-Y913 HydrophobicContact CD2-CG 4.43Å
872S91.4Very high91.1Very high33 Ų3344.6 Ų44.623%0.23122%0.221CC..THydrogen-bonded Turntrans-87.3-3.217890.10000114.2L812 K826 K868 M869 L870L812-S872 VanDerWaalsContact CD2-OG 3.29Å; L812-S872 WeakPolarHBondContact CD2-OG 3.47Å; K826-S872 VanDerWaalsContact CE-OG 3.3Å; K826-S872 WeakPolarHBondContact CE-OG 3.2Å; K826-S872 PolarHBondContact NZ-O 3.42Å; K826-S872 PolarHBondContact NZ-OG 2.87Å; K868-S872 PolarHBondContact O-N 3.42Å; M869-S872 WeakPolarHBondContact O-CB 3.38Å; M869-S872 PolarHBondContact O-N 3.17Å; M869-S872 VanDerWaalsContact O-N 3.13Å; M869-S872 PolarHBondContact O-OG 3.4Å; L870-S872 PolarHBondContact O-N 3.38Å; L870-S872 VanDerWaalsContact O-N 3.1Å
873V91.7Very high90.9Very high4 Ų451.3 Ų51.32%0.02425%0.25CS..SBendtrans-113.3129.6-179.1-178.80000108.4L827 I830 L870 L871 D877 L878 L884 Y913L827-V873 HydrophobicContact CD2-CG1 4.23Å; L827-V873 HydrophobicContact CD2-CG2 3.73Å; I830-V873 HydrophobicContact CD1-CG2 4.2Å; L870-V873 PolarHBondContact O-N 3.42Å; L870-V873 VanDerWaalsContact O-N 3.09Å; L871-V873 VanDerWaalsContact C-N 3.33Å; V873-D877 HydrophobicContact CG1-CB 4.07Å; V873-L878 HydrophobicContact CG1-CB 4.25Å; V873-L878 HydrophobicContact CG1-CD1 4.41Å; V873-L884 HydrophobicContact CG1-CD2 3.86Å; V873-Y913 WeakPolarHBondContact O-CE2 3.1Å; V873-Y913 PolarHBondContact O-OH 3.24Å
874S90Very high90.8Very high45 Ų4551.2 Ų51.232%0.31525%0.25SS..  trans-73152.6173.676.30000110.9S876 D877 L878S874-S876 PolarHBondContact O-N 2.94Å; S874-S876 PolarHBondContact OG-OG 3.15Å; S874-D877 PolarHBondContact O-N 3.49Å; S874-D877 VanDerWaalsContact O-N 3.16Å; S874-D877 WeakPolarHBondContact OG-CB 3.5Å; S874-D877 PolarHBondContact OG-N 3.33Å; S874-D877 VanDerWaalsContact OG-N 3.07Å; S874-D877 PolarHBondContact OG-OD2 2.91Å; S874-L878 PolarHBondContact O-N 3.01Å
875H86.4Confident90.7Very high42 Ų4246.7 Ų46.719%0.19423%0.23CC..Hα-helixtrans-55.9-37.7173.9-64.982.3000112.4L878 L879 Y913 E920H875-L878 WeakPolarHBondContact O-CB 3.41Å; H875-L878 PolarHBondContact O-N 3.43Å; H875-L879 PolarHBondContact O-N 3.3Å; H875-Y913 AromaticContact CE1-CD2 3.22Å; H875-Y913 WeakPolarHBondContact CE1-CD2 3.48Å; H875-Y913 AromaticContact CE1-CE2 3.33Å; H875-Y913 WeakPolarHBondContact CE1-CE2 3.49Å; H875-Y913 AromaticContact CE1-CG 3.73Å; H875-Y913 AromaticContact CE1-CZ 3.9Å; H875-Y913 AromaticContact ND1-CE2 3.73Å; H875-Y913 AromaticContact NE2-CD1 3.89Å; H875-Y913 AromaticContact NE2-CD2 3.66Å; H875-Y913 AromaticContact NE2-CE1 3.94Å; H875-Y913 AromaticContact NE2-CE2 3.78Å; H875-Y913 AromaticContact NE2-CG 3.71Å; H875-Y913 AromaticContact NE2-CZ 3.91Å; H875-Y913 PolarHBondContact NE2-O 3.02Å; H875-Y913 VanDerWaalsContact NE2-O 3.15Å; H875-E920 WeakPolarHBondContact CB-OE2 3.27Å; H875-E920 IonicContact CG-OE1 3.77Å
876S85.1Confident90.5Very high78 Ų7850.1 Ų50.155%0.54525%0.245SC..Hα-helixtrans-62-45.817670.90000113S874 L878 L879 Q880S874-S876 PolarHBondContact O-N 2.94Å; S874-S876 PolarHBondContact OG-OG 3.15Å; S876-L878 VanDerWaalsContact C-N 3.3Å; S876-L878 PolarHBondContact O-N 3.29Å; S876-L879 PolarHBondContact O-N 2.84Å; S876-Q880 VanDerWaalsContact O-CB 3.24Å; S876-Q880 WeakPolarHBondContact O-CB 3.34Å; S876-Q880 PolarHBondContact O-N 3.29Å
877D87.8Confident90.5Very high29 Ų2950.8 Ų50.816%0.15525%0.25CS..Hα-helixtrans-66.5-36.8178.3-66.4-51.5000110.9L827 V873 S874 L879 Q880 Y881L827-D877 HydrophobicContact CD1-CB 4.19Å; V873-D877 HydrophobicContact CG1-CB 4.07Å; S874-D877 PolarHBondContact O-N 3.49Å; S874-D877 VanDerWaalsContact O-N 3.16Å; S874-D877 WeakPolarHBondContact OG-CB 3.5Å; S874-D877 PolarHBondContact OG-N 3.33Å; S874-D877 VanDerWaalsContact OG-N 3.07Å; S874-D877 PolarHBondContact OG-OD2 2.91Å; D877-L879 VanDerWaalsContact C-N 3.25Å; D877-L879 PolarHBondContact O-N 3.08Å; D877-Q880 PolarHBondContact O-N 2.95Å; D877-Y881 HydrophobicContact CB-CD2 4.24Å; D877-Y881 HydrophobicContact CB-CE2 4.24Å; D877-Y881 VanDerWaalsContact O-CD2 3.25Å; D877-Y881 WeakPolarHBondContact O-CD2 3.41Å; D877-Y881 PolarHBondContact O-N 3.42Å
878L88.1Confident90.5Very high1 Ų150.4 Ų50.41%0.00525%0.248CC..Hα-helixtrans-56.2-41.9179.4-170.970.3000111.6V873 S874 H875 S876 L884 S885 Y888 Y889V873-L878 HydrophobicContact CG1-CB 4.25Å; V873-L878 HydrophobicContact CG1-CD1 4.41Å; S874-L878 PolarHBondContact O-N 3.01Å; H875-L878 WeakPolarHBondContact O-CB 3.41Å; H875-L878 PolarHBondContact O-N 3.43Å; S876-L878 VanDerWaalsContact C-N 3.3Å; S876-L878 PolarHBondContact O-N 3.29Å; L878-L884 HydrophobicContact CD1-CD2 4.29Å; L878-L884 HydrophobicContact CD1-CG 4.14Å; L878-S885 WeakPolarHBondContact O-CB 3.12Å; L878-Y888 HydrophobicContact CD1-CD1 3.76Å; L878-Y888 HydrophobicContact CD1-CE1 4.41Å; L878-Y888 HydrophobicContact CD1-CG 3.79Å; L878-Y888 HydrophobicContact CD2-CD1 3.69Å; L878-Y888 HydrophobicContact CD2-CE1 3.62Å; L878-Y888 HydrophobicContact CD2-CG 4.48Å; L878-Y888 HydrophobicContact CG-CD1 4.09Å; L878-Y889 HydrophobicContact CD2-CE2 4.36Å; L878-Y889 HydrophobicContact CG-CE2 4.43Å
879L85.4Confident90.6Very high50 Ų5045.6 Ų45.626%0.26223%0.227SC..Hα-helixtrans-87.5-33179.8-67.7-175.7000113.8H875 S876 D877 Y881 Y889 E920 T924H875-L879 PolarHBondContact O-N 3.3Å; S876-L879 PolarHBondContact O-N 2.84Å; D877-L879 VanDerWaalsContact C-N 3.25Å; D877-L879 PolarHBondContact O-N 3.08Å; L879-Y881 VanDerWaalsContact C-N 3.34Å; L879-Y881 PolarHBondContact O-N 3.49Å; L879-Y889 HydrophobicContact CD2-CE2 3.87Å; L879-Y889 WeakPolarHBondContact CD2-OH 3.27Å; L879-E920 HydrophobicContact CD1-CB 3.73Å; L879-T924 HydrophobicContact CD1-CG2 4.18Å; L879-T924 HydrophobicContact CD2-CG2 3.53Å; L879-T924 HydrophobicContact CG-CG2 4.43Å
880Q85.5Confident90.6Very high138 Ų13846.1 Ų46.165%0.64523%0.23SC*.Hα-helixtrans-64.9-36.9-179.4-172.4175.611.800112.2S876 D877S876-Q880 VanDerWaalsContact O-CB 3.24Å; S876-Q880 WeakPolarHBondContact O-CB 3.34Å; S876-Q880 PolarHBondContact O-N 3.29Å; D877-Q880 PolarHBondContact O-N 2.95Å
881Y88.5Confident90.7Very high48 Ų4846.1 Ų46.119%0.18823%0.23CC..SBendtrans-97.793.7-178.9-62.8-74.5000112I822 Y823 L827 D877 L879 K883 L884 S885I822-Y881 HydrophobicContact CG2-CE2 4.48Å; Y823-Y881 AromaticContact CD2-CD1 3.33Å; Y823-Y881 HydrophobicContact CD2-CD1 3.33Å; Y823-Y881 HydrophobicContact CD2-CD2 4.3Å; Y823-Y881 AromaticContact CD2-CE1 3.81Å; Y823-Y881 HydrophobicContact CD2-CE1 3.81Å; Y823-Y881 AromaticContact CD2-CG 3.62Å; Y823-Y881 HydrophobicContact CD2-CG 3.62Å; Y823-Y881 AromaticContact CE2-CD1 3.93Å; Y823-Y881 HydrophobicContact CE2-CD1 3.93Å; Y823-Y881 HydrophobicContact CE2-CG 4.12Å; Y823-Y881 AromaticContact CG-CD1 3.78Å; Y823-Y881 HydrophobicContact CG-CD1 3.78Å; Y823-Y881 AromaticContact CG-CE1 3.81Å; Y823-Y881 HydrophobicContact CG-CE1 3.81Å; Y823-Y881 HydrophobicContact CG-CG 4.45Å; L827-Y881 HydrophobicContact CD1-CD2 3.49Å; L827-Y881 VanDerWaalsContact CD1-CD2 3.49Å; L827-Y881 HydrophobicContact CD1-CE2 3.49Å; L827-Y881 VanDerWaalsContact CD1-CE2 3.49Å; L827-Y881 HydrophobicContact CD1-CG 4.37Å; D877-Y881 HydrophobicContact CB-CD2 4.24Å; D877-Y881 HydrophobicContact CB-CE2 4.24Å; D877-Y881 VanDerWaalsContact O-CD2 3.25Å; D877-Y881 WeakPolarHBondContact O-CD2 3.41Å; D877-Y881 PolarHBondContact O-N 3.42Å; L879-Y881 VanDerWaalsContact C-N 3.34Å; L879-Y881 PolarHBondContact O-N 3.49Å; Y881-K883 VanDerWaalsContact C-N 3.27Å; Y881-K883 PolarHBondContact O-N 3.5Å; Y881-L884 WeakPolarHBondContact O-CA 3.46Å; Y881-L884 VanDerWaalsContact O-CB 3.3Å; Y881-L884 WeakPolarHBondContact O-CB 3.3Å; Y881-L884 PolarHBondContact O-N 3.08Å; Y881-S885 PolarHBondContact O-N 3.11Å
882R87.4Confident90.8Very high162 Ų16241.9 Ų41.961%0.61121%0.208SC*.Hα-helixtrans-46-39.7-176.6-168.8176.7-172.4-173.80.5116L884 S885 Q886 D926R882-L884 VanDerWaalsContact C-N 3.32Å; R882-L884 PolarHBondContact O-N 2.97Å; R882-S885 WeakPolarHBondContact CA-OG 3.31Å; R882-S885 PolarHBondContact O-OG 3.25Å; R882-Q886 HydrophobicContact CG-CG 4.41Å; R882-Q886 WeakPolarHBondContact O-CB 3.44Å; R882-Q886 VanDerWaalsContact O-CG 3.29Å; R882-Q886 WeakPolarHBondContact O-CG 3.43Å; R882-Q886 PolarHBondContact O-N 2.99Å; R882-D926 IonicContact CZ-OD2 3.84Å; R882-D926 IonicContact NE-OD2 2.85Å; R882-D926 PolarHBondContact NE-OD2 2.95Å; R882-D926 IonicContact NH2-OD2 3.09Å; R882-D926 PolarHBondContact NH2-OD2 3.29Å; R882-D926 VanDerWaalsContact NH2-OD2 3.15Å
883K90.4Very high91Very high140 Ų14042.5 Ų42.561%0.60921%0.207SC*.Hα-helixtrans-67.3-33.7178.7-71177.2179.6167.60112.5Y823 S831 Y881 S887Y823-K883 WeakPolarHBondContact OH-CD 3.38Å; S831-K883 PolarHBondContact OG-O 3.41Å; Y881-K883 VanDerWaalsContact C-N 3.27Å; Y881-K883 PolarHBondContact O-N 3.5Å; K883-S887 PolarHBondContact O-N 3.31Å; K883-S887 PolarHBondContact O-OG 3.26Å
884L93.2Very high91.1Very high0 Ų042.5 Ų42.50%021%0.208CC..Hα-helixtrans-71.2-48.1177.4-178.663000110.6L827 I830 Y834 V873 L878 Y881 R882 Q886 S887 Y888L827-L884 HydrophobicContact CB-CD2 4.3Å; L827-L884 HydrophobicContact CD1-CD2 4.42Å; L827-L884 HydrophobicContact CD2-CD2 4.25Å; I830-L884 HydrophobicContact CG2-CD1 4.28Å; Y834-L884 HydrophobicContact CD2-CD1 4.2Å; Y834-L884 HydrophobicContact CE2-CD1 4.22Å; V873-L884 HydrophobicContact CG1-CD2 3.86Å; L878-L884 HydrophobicContact CD1-CD2 4.29Å; L878-L884 HydrophobicContact CD1-CG 4.14Å; Y881-L884 WeakPolarHBondContact O-CA 3.46Å; Y881-L884 VanDerWaalsContact O-CB 3.3Å; Y881-L884 WeakPolarHBondContact O-CB 3.3Å; Y881-L884 PolarHBondContact O-N 3.08Å; R882-L884 VanDerWaalsContact C-N 3.32Å; R882-L884 PolarHBondContact O-N 2.97Å; L884-Q886 PolarHBondContact O-N 2.88Å; L884-S887 PolarHBondContact O-N 3.16Å; L884-Y888 WeakPolarHBondContact O-CB 3.41Å; L884-Y888 PolarHBondContact O-N 3.32Å
885S92Very high91.3Very high6 Ų640.4 Ų40.44%0.04219%0.193CC..Hα-helixtrans-59.1-45.517555.60000112L878 Y881 R882 S887 Y888 Y889L878-S885 WeakPolarHBondContact O-CB 3.12Å; Y881-S885 PolarHBondContact O-N 3.11Å; R882-S885 WeakPolarHBondContact CA-OG 3.31Å; R882-S885 PolarHBondContact O-OG 3.25Å; S885-S887 PolarHBondContact O-N 2.9Å; S885-S887 VanDerWaalsContact O-N 3.12Å; S885-Y888 PolarHBondContact O-N 2.91Å; S885-Y889 WeakPolarHBondContact O-CD2 3.38Å; S885-Y889 PolarHBondContact O-N 3.37Å
886Q92.3Very high91.6Very high74 Ų7438.5 Ų38.535%0.34618%0.184SC..Hα-helixtrans-66.1-10.6175.5-71.9-176.4-5.500114.5R882 L884 P890 D926 V929R882-Q886 HydrophobicContact CG-CG 4.41Å; R882-Q886 WeakPolarHBondContact O-CB 3.44Å; R882-Q886 VanDerWaalsContact O-CG 3.29Å; R882-Q886 WeakPolarHBondContact O-CG 3.43Å; R882-Q886 PolarHBondContact O-N 2.99Å; L884-Q886 PolarHBondContact O-N 2.88Å; Q886-P890 WeakPolarHBondContact O-CD 3.21Å; Q886-P890 WeakPolarHBondContact O-CG 3.46Å; Q886-D926 PolarHBondContact NE2-OD2 2.9Å; Q886-V929 HydrophobicContact CG-CG2 4.42Å
887S94Very high91.9Very high16 Ų1638.8 Ų38.811%0.11218%0.177CC..Hα-helixtrans-98.4-40.4172.3-53.50000111.9S831 K883 L884 S885 L891S831-S887 WeakPolarHBondContact O-CB 3.18Å; S831-S887 PolarHBondContact O-OG 3.37Å; S831-S887 PolarHBondContact OG-OG 2.96Å; K883-S887 PolarHBondContact O-N 3.31Å; K883-S887 PolarHBondContact O-OG 3.26Å; L884-S887 PolarHBondContact O-N 3.16Å; S885-S887 PolarHBondContact O-N 2.9Å; S885-S887 VanDerWaalsContact O-N 3.12Å; S887-L891 WeakPolarHBondContact O-CB 3.28Å; S887-L891 PolarHBondContact O-N 3.08Å
888Y96Very high91.9Very high0 Ų041.9 Ų41.90%019%0.193CC..Hα-helixtrans-74-52.5-175.6167.4-105.9000113.2Y834 F866 L870 L878 L884 S885 L891 L892 S917Y834-Y888 HydrophobicContact CD2-CD2 4.46Å; Y834-Y888 HydrophobicContact CE2-CD2 4.13Å; F866-Y888 HydrophobicContact CE2-CD2 4.12Å; F866-Y888 HydrophobicContact CE2-CE2 4.14Å; F866-Y888 HydrophobicContact CZ-CD2 4.42Å; F866-Y888 AromaticContact CZ-CE2 3.98Å; F866-Y888 HydrophobicContact CZ-CE2 3.98Å; L870-Y888 HydrophobicContact CD1-CD2 3.75Å; L870-Y888 HydrophobicContact CD1-CE2 3.21Å; L870-Y888 HydrophobicContact CD2-CE2 3.9Å; L870-Y888 HydrophobicContact CG-CE2 4.17Å; L878-Y888 HydrophobicContact CD1-CD1 3.76Å; L878-Y888 HydrophobicContact CD1-CE1 4.41Å; L878-Y888 HydrophobicContact CD1-CG 3.79Å; L878-Y888 HydrophobicContact CD2-CD1 3.69Å; L878-Y888 HydrophobicContact CD2-CE1 3.62Å; L878-Y888 HydrophobicContact CD2-CG 4.48Å; L878-Y888 HydrophobicContact CG-CD1 4.09Å; L884-Y888 WeakPolarHBondContact O-CB 3.41Å; L884-Y888 PolarHBondContact O-N 3.32Å; S885-Y888 PolarHBondContact O-N 2.91Å; Y888-L891 WeakPolarHBondContact O-CB 3.32Å; Y888-L891 PolarHBondContact O-N 3.01Å; Y888-L891 VanDerWaalsContact O-N 3.1Å; Y888-L892 HydrophobicContact CE1-CD2 4.22Å; Y888-L892 PolarHBondContact O-N 2.96Å; Y888-S917 PolarHBondContact OH-OG 3.1Å
889Y96.2Very high92Very high0 Ų042.9 Ų42.90%020%0.198CC..Hα-helixtrans-66.1-41.4-173.5-69.9-75.6000112.7L878 L879 S885 L891 L892 E893 S917 L918 G921 V929 C933L878-Y889 HydrophobicContact CD2-CE2 4.36Å; L878-Y889 HydrophobicContact CG-CE2 4.43Å; L879-Y889 HydrophobicContact CD2-CE2 3.87Å; L879-Y889 WeakPolarHBondContact CD2-OH 3.27Å; S885-Y889 WeakPolarHBondContact O-CD2 3.38Å; S885-Y889 PolarHBondContact O-N 3.37Å; Y889-L891 VanDerWaalsContact C-N 3.27Å; Y889-L891 PolarHBondContact O-N 3.16Å; Y889-L892 PolarHBondContact O-N 2.84Å; Y889-E893 PolarHBondContact O-N 3.07Å; Y889-S917 WeakPolarHBondContact CE1-O 3.36Å; Y889-S917 PolarHBondContact OH-O 3.35Å; Y889-L918 HydrophobicContact CD1-CD2 4.45Å; Y889-G921 WeakPolarHBondContact OH-CA 3.39Å; Y889-V929 HydrophobicContact CD2-CB 4.38Å; Y889-V929 HydrophobicContact CD2-CG1 3.41Å; Y889-V929 VanDerWaalsContact CD2-CG1 3.41Å; Y889-V929 HydrophobicContact CD2-CG2 4.29Å; Y889-V929 HydrophobicContact CE2-CG1 3.59Å; Y889-V929 HydrophobicContact CG-CG1 3.96Å; Y889-C933 WeakPolarHBondContact CD1-SG 3.48Å; Y889-C933 WeakPolarHBondContact CE1-SG 3.35Å
890P94.6Very high92.2Very high13 Ų1341 Ų418%0.08419%0.188CC..Hα-helixtrans-65.2-28.3171.8-26.237.9000113.9K838 Q886 C894K838-P890 HydrophobicContact CD-CB 4.46Å; K838-P890 HydrophobicContact CG-CB 4.46Å; Q886-P890 WeakPolarHBondContact O-CD 3.21Å; Q886-P890 WeakPolarHBondContact O-CG 3.46Å; P890-C894 PolarHBondContact O-N 2.9Å; P890-C894 PolarHBondContact O-SG 2.98Å; P890-C894 VanDerWaalsContact O-SG 3.4Å
891L95.9Very high92.2Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-69.4-44.8172.2171.359.7000110.7Y834 L837 K838 L841 F866 S887 Y888 Y889 E893 C894 L895Y834-L891 HydrophobicContact CD1-CD2 3.85Å; Y834-L891 HydrophobicContact CG-CD2 3.93Å; L837-L891 HydrophobicContact CB-CD1 4.18Å; L837-L891 HydrophobicContact CB-CD2 4.42Å; L837-L891 HydrophobicContact CD2-CD1 4.03Å; L837-L891 HydrophobicContact CD2-CD2 4.08Å; L837-L891 HydrophobicContact CG-CD1 3.82Å; L837-L891 HydrophobicContact CG-CD2 4.49Å; K838-L891 HydrophobicContact CB-CB 4.06Å; K838-L891 HydrophobicContact CB-CD1 4.11Å; K838-L891 HydrophobicContact CG-CB 4.49Å; L841-L891 HydrophobicContact CD1-CD1 3.74Å; F866-L891 HydrophobicContact CD2-CD2 3.56Å; F866-L891 HydrophobicContact CE2-CD2 3.55Å; F866-L891 HydrophobicContact CE2-CG 4.23Å; S887-L891 WeakPolarHBondContact O-CB 3.28Å; S887-L891 PolarHBondContact O-N 3.08Å; Y888-L891 WeakPolarHBondContact O-CB 3.32Å; Y888-L891 PolarHBondContact O-N 3.01Å; Y888-L891 VanDerWaalsContact O-N 3.1Å; Y889-L891 VanDerWaalsContact C-N 3.27Å; Y889-L891 PolarHBondContact O-N 3.16Å; L891-E893 VanDerWaalsContact C-N 3.27Å; L891-E893 PolarHBondContact O-N 3.35Å; L891-C894 PolarHBondContact O-N 2.87Å; L891-L895 HydrophobicContact CD1-CD1 4.32Å; L891-L895 HydrophobicContact CD1-CG 4.3Å; L891-L895 HydrophobicContact CG-CD1 4.22Å; L891-L895 WeakPolarHBondContact O-CG 3.25Å; L891-L895 PolarHBondContact O-N 3.47Å
892L95.8Very high92.2Very high0 Ų036.5 Ų36.50%018%0.176CC..Hα-helixtrans-60.6-39.5176.3-177.762.3000111Y888 Y889 L895 T896 I903 V914 L918Y888-L892 HydrophobicContact CE1-CD2 4.22Å; Y888-L892 PolarHBondContact O-N 2.96Å; Y889-L892 PolarHBondContact O-N 2.84Å; L892-L895 PolarHBondContact O-N 3.31Å; L892-T896 HydrophobicContact CD1-CG2 4.24Å; L892-T896 HydrophobicContact CG-CG2 4.4Å; L892-T896 WeakPolarHBondContact O-CG2 3.18Å; L892-T896 PolarHBondContact O-N 2.74Å; L892-T896 PolarHBondContact O-OG1 3.3Å; L892-I903 HydrophobicContact CD1-CD1 4.31Å; L892-V914 HydrophobicContact CD1-CG1 3.75Å; L892-V914 HydrophobicContact CD2-CG1 3.89Å; L892-V914 HydrophobicContact CG-CG1 4.45Å; L892-L918 HydrophobicContact CD2-CD1 4.22Å; L892-L918 HydrophobicContact CD2-CD2 3.66Å; L892-L918 HydrophobicContact CD2-CG 3.83Å
893E95Very high92.3Very high46 Ų4628.8 Ų28.822%0.21515%0.147CC..Hα-helixtrans-54.6-56.5171.3-174.8-179.2171.300111.6Y889 L891 L895 T896 Q897 S932 T935 S936Y889-E893 PolarHBondContact O-N 3.07Å; L891-E893 VanDerWaalsContact C-N 3.27Å; L891-E893 PolarHBondContact O-N 3.35Å; E893-L895 VanDerWaalsContact C-N 3.27Å; E893-L895 PolarHBondContact O-N 3.36Å; E893-T896 WeakPolarHBondContact CA-OG1 3.49Å; E893-T896 PolarHBondContact O-N 3.44Å; E893-T896 VanDerWaalsContact O-N 3.17Å; E893-T896 PolarHBondContact O-OG1 3.48Å; E893-Q897 WeakPolarHBondContact O-CB 3.47Å; E893-Q897 PolarHBondContact O-N 3.21Å; E893-S932 WeakPolarHBondContact OE2-CA 3.5Å; E893-S932 VanDerWaalsContact OE2-CB 3.26Å; E893-S932 WeakPolarHBondContact OE2-CB 3.44Å; E893-S932 PolarHBondContact OE2-OG 2.96Å; E893-T935 HydrophobicContact CG-CG2 3.98Å; E893-T935 WeakPolarHBondContact OE1-CG2 3.4Å; E893-S936 WeakPolarHBondContact CA-OG 3.07Å; E893-S936 PolarHBondContact N-OG 3.01Å; E893-S936 VanDerWaalsContact N-OG 3.15Å
894C93Very high92.2Very high5 Ų522.4 Ų22.43%0.03412%0.119CC..Hα-helixtrans-55.2-41.4176.3-63.60000111.4L841 C842 P890 L891 Q897 D898L841-C894 HydrophobicContact CB-CB 4.23Å; C842-C894 WeakPolarHBondContact CB-SG 3.32Å; C842-C894 WeakPolarHBondContact SG-CB 3.3Å; C842-C894 CovalentContact SG-SG 2.07Å; C842-C894 PolarHBondContact SG-SG 3.27Å; P890-C894 PolarHBondContact O-N 2.9Å; P890-C894 PolarHBondContact O-SG 2.98Å; P890-C894 VanDerWaalsContact O-SG 3.4Å; L891-C894 PolarHBondContact O-N 2.87Å; C894-Q897 PolarHBondContact O-N 2.78Å; C894-D898 PolarHBondContact O-N 2.87Å
895L94.3Very high91.9Very high0 Ų026.4 Ų26.40%014%0.141CC..Hα-helixtrans-66.6-42.9178.8-72171.3000112.9L841 L863 F866 L891 L892 E893 Q897 H899 M900 F902 I903L841-L895 HydrophobicContact CD1-CD2 3.55Å; L841-L895 HydrophobicContact CD1-CG 3.99Å; L863-L895 HydrophobicContact CD2-CD2 3.57Å; F866-L895 HydrophobicContact CD1-CD1 4.07Å; F866-L895 HydrophobicContact CE1-CD1 3.6Å; F866-L895 HydrophobicContact CZ-CD1 3.85Å; L891-L895 HydrophobicContact CD1-CD1 4.32Å; L891-L895 HydrophobicContact CD1-CG 4.3Å; L891-L895 HydrophobicContact CG-CD1 4.22Å; L891-L895 WeakPolarHBondContact O-CG 3.25Å; L891-L895 PolarHBondContact O-N 3.47Å; L892-L895 PolarHBondContact O-N 3.31Å; E893-L895 VanDerWaalsContact C-N 3.27Å; E893-L895 PolarHBondContact O-N 3.36Å; L895-Q897 VanDerWaalsContact C-N 3.3Å; L895-Q897 PolarHBondContact O-N 3.33Å; L895-H899 HydrophobicContact CD2-CB 4.24Å; L895-H899 CarbonylContact O-C 3.5Å; L895-H899 WeakPolarHBondContact O-CA 3.46Å; L895-H899 WeakPolarHBondContact O-CB 3.24Å; L895-H899 PolarHBondContact O-N 3.32Å; L895-M900 PolarHBondContact O-N 2.89Å; L895-F902 HydrophobicContact CD2-CD1 4.43Å; L895-I903 HydrophobicContact CB-CD1 4.18Å; L895-I903 HydrophobicContact CB-CG1 4.48Å
896T93.1Very high91.8Very high2 Ų227.1 Ų27.11%0.01214%0.144CC..Hα-helixtrans-69.5-29.1178.350.80000112.8L892 E893 M900 I903 S936 M940L892-T896 HydrophobicContact CD1-CG2 4.24Å; L892-T896 HydrophobicContact CG-CG2 4.4Å; L892-T896 WeakPolarHBondContact O-CG2 3.18Å; L892-T896 PolarHBondContact O-N 2.74Å; L892-T896 PolarHBondContact O-OG1 3.3Å; E893-T896 WeakPolarHBondContact CA-OG1 3.49Å; E893-T896 PolarHBondContact O-N 3.44Å; E893-T896 VanDerWaalsContact O-N 3.17Å; E893-T896 PolarHBondContact O-OG1 3.48Å; T896-M900 HydrophobicContact CG2-SD 4.48Å; T896-I903 HydrophobicContact CG2-CG1 4.48Å; T896-S936 WeakPolarHBondContact OG1-CA 3.31Å; T896-S936 PolarHBondContact OG1-OG 3.02Å; T896-M940 HydrophobicContact CG2-CG 3.8Å; T896-M940 HydrophobicContact CG2-SD 4.14Å
897Q91.5Very high91.7Very high84 Ų8430.2 Ų30.239%0.39316%0.159SC..Hα-helixtrans-70.8-57.9178.8-175.6175.5-13.700111.9E893 C894 L895 Y939E893-Q897 WeakPolarHBondContact O-CB 3.47Å; E893-Q897 PolarHBondContact O-N 3.21Å; C894-Q897 PolarHBondContact O-N 2.78Å; L895-Q897 VanDerWaalsContact C-N 3.3Å; L895-Q897 PolarHBondContact O-N 3.33Å; Q897-Y939 HydrophobicContact CB-CD2 3.77Å; Q897-Y939 HydrophobicContact CB-CE1 4.41Å; Q897-Y939 HydrophobicContact CB-CE2 3.48Å; Q897-Y939 VanDerWaalsContact CB-CE2 3.48Å; Q897-Y939 HydrophobicContact CB-CG 4.35Å; Q897-Y939 HydrophobicContact CG-CD2 4.35Å; Q897-Y939 HydrophobicContact CG-CE1 3.98Å; Q897-Y939 HydrophobicContact CG-CE2 3.69Å; Q897-Y939 PolarHBondContact OE1-OH 2.93Å
898D87.3Confident91.4Very high94 Ų9433.3 Ų33.350%0.50318%0.178SC..Hα-helixtrans-109.2-17-167.3-64-44.8000113.7C894C894-D898 PolarHBondContact O-N 2.87Å
899H89.6Confident91.1Very high23 Ų2337.5 Ų37.511%0.10621%0.205CC..  trans-125.331.6-174.6-57.7-62.9000113F848 F859 L895 S901 F902 I903F848-H899 AromaticContact CD2-CE1 3.73Å; F848-H899 AromaticContact CD2-NE2 3.75Å; F859-H899 AromaticContact CZ-CE1 3.48Å; F859-H899 VanDerWaalsContact CZ-CE1 3.48Å; F859-H899 WeakPolarHBondContact CZ-CE1 3.38Å; F859-H899 AromaticContact CZ-CG 3.96Å; F859-H899 AromaticContact CZ-ND1 3.55Å; F859-H899 AromaticContact CZ-NE2 3.84Å; L895-H899 HydrophobicContact CD2-CB 4.24Å; L895-H899 CarbonylContact O-C 3.5Å; L895-H899 WeakPolarHBondContact O-CA 3.46Å; L895-H899 WeakPolarHBondContact O-CB 3.24Å; L895-H899 PolarHBondContact O-N 3.32Å; H899-S901 PolarHBondContact O-N 2.92Å; H899-S901 VanDerWaalsContact O-N 3.08Å; H899-F902 VanDerWaalsContact O-CB 3.31Å; H899-F902 WeakPolarHBondContact O-CB 3.3Å; H899-F902 PolarHBondContact O-N 2.92Å; H899-I903 PolarHBondContact O-N 3.18Å
900M89.6Confident90.9Very high10 Ų1037.8 Ų37.85%0.04921%0.207CC..Hα-helixtrans-56.4-30.5-178.3-168.460.2-164.900113.4L895 T896 F902 I903 T904 M940 Y943 L968L895-M900 PolarHBondContact O-N 2.89Å; T896-M900 HydrophobicContact CG2-SD 4.48Å; M900-F902 VanDerWaalsContact C-N 3.26Å; M900-F902 PolarHBondContact O-N 2.96Å; M900-I903 HydrophobicContact CE-CG2 4.25Å; M900-I903 PolarHBondContact O-N 2.88Å; M900-I903 VanDerWaalsContact O-N 3.15Å; M900-I903 HydrophobicContact SD-CB 4.1Å; M900-I903 HydrophobicContact SD-CG2 4.3Å; M900-T904 HydrophobicContact CE-CG2 3.94Å; M900-T904 HydrophobicContact CG-CG2 4.42Å; M900-T904 WeakPolarHBondContact O-CG2 3.36Å; M900-T904 PolarHBondContact O-N 3.23Å; M900-T904 PolarHBondContact O-OG1 3.19Å; M900-M940 HydrophobicContact CE-CB 3.98Å; M900-M940 HydrophobicContact CE-CE 4.19Å; M900-M940 HydrophobicContact CE-CG 3.73Å; M900-M940 HydrophobicContact SD-CG 3.98Å; M900-Y943 HydrophobicContact CB-CD2 4.11Å; M900-Y943 HydrophobicContact CB-CE2 4.34Å; M900-Y943 HydrophobicContact CB-CG 4.44Å; M900-Y943 HydrophobicContact CE-CD1 4.25Å; M900-Y943 HydrophobicContact CG-CD1 3.86Å; M900-Y943 HydrophobicContact CG-CD2 3.69Å; M900-Y943 HydrophobicContact CG-CE1 4.27Å; M900-Y943 HydrophobicContact CG-CE2 4.14Å; M900-Y943 HydrophobicContact CG-CG 3.54Å; M900-L968 HydrophobicContact CE-CD2 3.52Å
901S86Confident90.7Very high67 Ų6737.4 Ų37.447%0.46920%0.204SC..Hα-helixtrans-58.4-36.2174.355.30000112.8H899 T904 N905H899-S901 PolarHBondContact O-N 2.92Å; H899-S901 VanDerWaalsContact O-N 3.08Å; S901-T904 WeakPolarHBondContact CA-OG1 3.43Å; S901-T904 PolarHBondContact O-OG1 2.96Å; S901-N905 PolarHBondContact O-N 3.23Å; S901-N905 PolarHBondContact O-ND2 3.42Å
902F89.1Confident90.5Very high25 Ų2540.5 Ų40.511%0.1122%0.22CC..Hα-helixtrans-65.4-49.4173.3164.4-106.3000110.8L863 F866 V867 L895 H899 M900 T904 N905 L906L863-F902 HydrophobicContact CB-CD2 4.14Å; L863-F902 HydrophobicContact CB-CE1 4.21Å; L863-F902 HydrophobicContact CB-CE2 3.61Å; L863-F902 HydrophobicContact CB-CZ 3.64Å; L863-F902 HydrophobicContact CD1-CB 4.23Å; L863-F902 HydrophobicContact CD1-CD1 4.14Å; L863-F902 HydrophobicContact CD1-CD2 3.75Å; L863-F902 HydrophobicContact CD1-CE1 4.46Å; L863-F902 HydrophobicContact CD1-CE2 4.1Å; L863-F902 HydrophobicContact CD1-CG 3.77Å; L863-F902 HydrophobicContact CD1-CZ 4.43Å; L863-F902 HydrophobicContact CD2-CD1 4.37Å; L863-F902 HydrophobicContact CD2-CE1 4.19Å; L863-F902 HydrophobicContact CD2-CZ 4.47Å; L863-F902 HydrophobicContact CG-CE2 4.41Å; L863-F902 HydrophobicContact CG-CZ 4.4Å; F866-F902 HydrophobicContact CD1-CE1 4.45Å; V867-F902 HydrophobicContact CG2-CE1 4.48Å; V867-F902 HydrophobicContact CG2-CZ 3.71Å; L895-F902 HydrophobicContact CD2-CD1 4.43Å; H899-F902 VanDerWaalsContact O-CB 3.31Å; H899-F902 WeakPolarHBondContact O-CB 3.3Å; H899-F902 PolarHBondContact O-N 2.92Å; M900-F902 VanDerWaalsContact C-N 3.26Å; M900-F902 PolarHBondContact O-N 2.96Å; F902-T904 VanDerWaalsContact C-N 3.28Å; F902-T904 PolarHBondContact O-N 3.47Å; F902-N905 PolarHBondContact O-N 3.37Å; F902-L906 HydrophobicContact CE1-CD2 4.15Å; F902-L906 HydrophobicContact CE2-CD2 3.91Å; F902-L906 HydrophobicContact CZ-CD2 3.66Å; F902-L906 PolarHBondContact O-N 3.32Å
903I90.2Very high90.3Very high0 Ų041.6 Ų41.60%023%0.225CC..Hα-helixtrans-57.2-41.8178.9-59-61.4000111.3L892 L895 T896 H899 M900 N905 L906 L911 M940L892-I903 HydrophobicContact CD1-CD1 4.31Å; L895-I903 HydrophobicContact CB-CD1 4.18Å; L895-I903 HydrophobicContact CB-CG1 4.48Å; T896-I903 HydrophobicContact CG2-CG1 4.48Å; H899-I903 PolarHBondContact O-N 3.18Å; M900-I903 HydrophobicContact CE-CG2 4.25Å; M900-I903 PolarHBondContact O-N 2.88Å; M900-I903 VanDerWaalsContact O-N 3.15Å; M900-I903 HydrophobicContact SD-CB 4.1Å; M900-I903 HydrophobicContact SD-CG2 4.3Å; I903-N905 VanDerWaalsContact C-N 3.25Å; I903-N905 PolarHBondContact O-N 2.85Å; I903-L906 HydrophobicContact CD1-CD1 4.08Å; I903-L906 HydrophobicContact CG2-CD1 4.43Å; I903-L906 WeakPolarHBondContact O-CB 3.47Å; I903-L906 WeakPolarHBondContact O-CG 3.32Å; I903-L906 PolarHBondContact O-N 3.35Å; I903-L911 HydrophobicContact CG2-CD1 3.96Å; I903-M940 HydrophobicContact CG2-CE 4.24Å
904T87Confident90.3Very high5 Ų539.4 Ų39.43%0.03121%0.214CC..Hα-helixtrans-69.6-18.5177.856.40000115.1M900 S901 F902 Y943 L968M900-T904 HydrophobicContact CE-CG2 3.94Å; M900-T904 HydrophobicContact CG-CG2 4.42Å; M900-T904 WeakPolarHBondContact O-CG2 3.36Å; M900-T904 PolarHBondContact O-N 3.23Å; M900-T904 PolarHBondContact O-OG1 3.19Å; S901-T904 WeakPolarHBondContact CA-OG1 3.43Å; S901-T904 PolarHBondContact O-OG1 2.96Å; F902-T904 VanDerWaalsContact C-N 3.28Å; F902-T904 PolarHBondContact O-N 3.47Å; T904-Y943 HydrophobicContact CG2-CD1 4.22Å; T904-Y943 HydrophobicContact CG2-CE1 3.71Å; T904-L968 HydrophobicContact CG2-CB 3.79Å; T904-L968 HydrophobicContact CG2-CD1 4.37Å; T904-L968 HydrophobicContact CG2-CD2 3.81Å; T904-L968 HydrophobicContact CG2-CG 4.19Å
905N88.1Confident90.2Very high85 Ų8539.2 Ų39.246%0.45521%0.213SC..THydrogen-bonded Turntrans-960178.8-76.1-36000112.8S901 F902 I903 R967S901-N905 PolarHBondContact O-N 3.23Å; S901-N905 PolarHBondContact O-ND2 3.42Å; F902-N905 PolarHBondContact O-N 3.37Å; I903-N905 VanDerWaalsContact C-N 3.25Å; I903-N905 PolarHBondContact O-N 2.85Å; N905-R967 VanDerWaalsContact OD1-CZ 3.32Å; N905-R967 PolarHBondContact OD1-NH1 2.92Å; N905-R967 VanDerWaalsContact OD1-NH1 3.08Å
906L89.9Confident90Very high20 Ų2041.2 Ų41.211%0.10523%0.226CC..SBendtrans-63.5150.1173.7-66.6175.8000111.1V867 F902 I903 V910 L911V867-L906 HydrophobicContact CG2-CD2 3.68Å; F902-L906 HydrophobicContact CE1-CD2 4.15Å; F902-L906 HydrophobicContact CE2-CD2 3.91Å; F902-L906 HydrophobicContact CZ-CD2 3.66Å; F902-L906 PolarHBondContact O-N 3.32Å; I903-L906 HydrophobicContact CD1-CD1 4.08Å; I903-L906 HydrophobicContact CG2-CD1 4.43Å; I903-L906 WeakPolarHBondContact O-CB 3.47Å; I903-L906 WeakPolarHBondContact O-CG 3.32Å; I903-L906 PolarHBondContact O-N 3.35Å; L906-V910 HydrophobicContact CB-CB 4.32Å; L906-V910 HydrophobicContact CB-CG1 4.45Å; L906-V910 HydrophobicContact CD1-CG1 4.09Å; L906-V910 HydrophobicContact CD2-CG1 4.26Å; L906-L911 HydrophobicContact CB-CB 4.49Å
907E89.5Confident90Very high140 Ų14041.1 Ų41.165%0.65423%0.225SC*.  trans-62.6146.8172.9-63.3-177.8172.300110.6P909 V910 L911E907-P909 VanDerWaalsContact C-CD 3.4Å; E907-P909 VanDerWaalsContact C-N 3.34Å; E907-P909 VanDerWaalsContact O-N 3.16Å; E907-V910 HydrophobicContact CB-CG2 4.25Å; E907-V910 WeakPolarHBondContact O-CB 3.45Å; E907-V910 PolarHBondContact O-N 3.26Å; E907-L911 PolarHBondContact O-N 3.36Å
908P88.5Confident90.1Very high80 Ų8037.1 Ų37.152%0.51921%0.206SC..Hα-helixtrans-49.9-41.2-176.2-26.533.1000115.4V910 L911 L912 F971P908-V910 VanDerWaalsContact C-N 3.34Å; P908-V910 PolarHBondContact O-N 2.97Å; P908-L911 PolarHBondContact O-N 3.36Å; P908-L912 WeakPolarHBondContact O-CB 3.44Å; P908-L912 PolarHBondContact O-N 2.94Å; P908-F971 HydrophobicContact CB-CD2 4.04Å; P908-F971 HydrophobicContact CB-CE2 3.76Å; P908-F971 WeakPolarHBondContact O-CE2 3.36Å
909P89.1Confident90.2Very high88 Ų8832.9 Ų32.957%0.57118%0.184SC*.Hα-helixtrans-65.1-35.5177.6-21.834.5000113.4E907 Y913E907-P909 VanDerWaalsContact C-CD 3.4Å; E907-P909 VanDerWaalsContact C-N 3.34Å; E907-P909 VanDerWaalsContact O-N 3.16Å; P909-Y913 PolarHBondContact O-N 3.49Å
910V91.9Very high90Very high6 Ų635 Ų354%0.03619%0.194CC..Hα-helixtrans-72.3-41.9179.1-172.30000110.3V867 L871 L906 E907 P908 L912 Y913 V914V867-V910 HydrophobicContact CG1-CG1 3.65Å; V867-V910 HydrophobicContact CG1-CG2 4.11Å; V867-V910 HydrophobicContact CG2-CG1 4.41Å; L871-V910 HydrophobicContact CD1-CG2 3.92Å; L871-V910 HydrophobicContact CD2-CG1 4.43Å; L871-V910 HydrophobicContact CD2-CG2 4.18Å; L871-V910 HydrophobicContact CG-CG2 4.49Å; L906-V910 HydrophobicContact CB-CB 4.32Å; L906-V910 HydrophobicContact CB-CG1 4.45Å; L906-V910 HydrophobicContact CD1-CG1 4.09Å; L906-V910 HydrophobicContact CD2-CG1 4.26Å; E907-V910 HydrophobicContact CB-CG2 4.25Å; E907-V910 WeakPolarHBondContact O-CB 3.45Å; E907-V910 PolarHBondContact O-N 3.26Å; P908-V910 VanDerWaalsContact C-N 3.34Å; P908-V910 PolarHBondContact O-N 2.97Å; V910-L912 VanDerWaalsContact C-N 3.31Å; V910-L912 PolarHBondContact O-N 2.96Å; V910-Y913 WeakPolarHBondContact O-CB 3.37Å; V910-Y913 PolarHBondContact O-N 3.2Å; V910-V914 WeakPolarHBondContact O-CG2 3.34Å; V910-V914 PolarHBondContact O-N 3.28Å
911L90.7Very high89.9Confident5 Ų534.5 Ų34.53%0.02619%0.191CC..Hα-helixtrans-64-39.3175.9-173.459.4000111.3I903 L906 E907 P908 V914 L915 M940 L968 F971I903-L911 HydrophobicContact CG2-CD1 3.96Å; L906-L911 HydrophobicContact CB-CB 4.49Å; E907-L911 PolarHBondContact O-N 3.36Å; P908-L911 PolarHBondContact O-N 3.36Å; L911-V914 PolarHBondContact O-N 3.21Å; L911-L915 HydrophobicContact CG-CD1 4.47Å; L911-L915 WeakPolarHBondContact O-CG 3.48Å; L911-L915 PolarHBondContact O-N 2.89Å; L911-M940 HydrophobicContact CD1-CE 4.36Å; L911-L968 HydrophobicContact CD1-CD1 4.36Å; L911-L968 HydrophobicContact CD2-CD1 3.86Å; L911-F971 HydrophobicContact CB-CE1 4.12Å; L911-F971 HydrophobicContact CB-CZ 4.11Å; L911-F971 HydrophobicContact CD2-CB 4.3Å; L911-F971 HydrophobicContact CD2-CD1 3.25Å; L911-F971 HydrophobicContact CD2-CD2 4.3Å; L911-F971 HydrophobicContact CD2-CE1 3.55Å; L911-F971 HydrophobicContact CD2-CG 3.69Å; L911-F971 HydrophobicContact CD2-CZ 4.17Å; L911-F971 HydrophobicContact CG-CD1 3.83Å; L911-F971 HydrophobicContact CG-CE1 3.56Å; L911-F971 HydrophobicContact CG-CZ 4.07Å
912L90.5Very high89.9Confident65 Ų6531.6 Ų31.634%0.3417%0.17SC..Hα-helixtrans-62.5-42.5172.4-173.462000111.8P908 V910 V914 L915 T916 F971 V978P908-L912 WeakPolarHBondContact O-CB 3.44Å; P908-L912 PolarHBondContact O-N 2.94Å; V910-L912 VanDerWaalsContact C-N 3.31Å; V910-L912 PolarHBondContact O-N 2.96Å; L912-V914 VanDerWaalsContact C-N 3.34Å; L912-V914 PolarHBondContact O-N 3.35Å; L912-L915 PolarHBondContact O-N 3Å; L912-T916 WeakPolarHBondContact O-CB 3.32Å; L912-T916 PolarHBondContact O-N 3.47Å; L912-T916 PolarHBondContact O-OG1 3.14Å; L912-F971 HydrophobicContact CB-CZ 4.08Å; L912-V978 HydrophobicContact CD1-CG2 4.1Å
913Y93Very high89.6Confident23 Ų2334.5 Ų34.59%0.0919%0.19CC..Hα-helixtrans-56.1-49.2174.9-178-70.9000111L870 L871 V873 H875 P909 V910 L915 T916 S917L870-Y913 HydrophobicContact CD1-CD1 4.2Å; L870-Y913 HydrophobicContact CD1-CE1 3.45Å; L870-Y913 VanDerWaalsContact CD1-CE1 3.45Å; L870-Y913 HydrophobicContact CD2-CD1 3.9Å; L870-Y913 HydrophobicContact CD2-CE1 4.02Å; L870-Y913 HydrophobicContact CG-CD1 3.85Å; L870-Y913 HydrophobicContact CG-CE1 3.53Å; L870-Y913 PolarHBondContact O-OH 3.31Å; L871-Y913 HydrophobicContact CD2-CD2 4.3Å; L871-Y913 HydrophobicContact CD2-CG 4.43Å; V873-Y913 WeakPolarHBondContact O-CE2 3.1Å; V873-Y913 PolarHBondContact O-OH 3.24Å; H875-Y913 AromaticContact CE1-CD2 3.22Å; H875-Y913 WeakPolarHBondContact CE1-CD2 3.48Å; H875-Y913 AromaticContact CE1-CE2 3.33Å; H875-Y913 WeakPolarHBondContact CE1-CE2 3.49Å; H875-Y913 AromaticContact CE1-CG 3.73Å; H875-Y913 AromaticContact CE1-CZ 3.9Å; H875-Y913 AromaticContact ND1-CE2 3.73Å; H875-Y913 AromaticContact NE2-CD1 3.89Å; H875-Y913 AromaticContact NE2-CD2 3.66Å; H875-Y913 AromaticContact NE2-CE1 3.94Å; H875-Y913 AromaticContact NE2-CE2 3.78Å; H875-Y913 AromaticContact NE2-CG 3.71Å; H875-Y913 AromaticContact NE2-CZ 3.91Å; H875-Y913 PolarHBondContact NE2-O 3.02Å; H875-Y913 VanDerWaalsContact NE2-O 3.15Å; P909-Y913 PolarHBondContact O-N 3.49Å; V910-Y913 WeakPolarHBondContact O-CB 3.37Å; V910-Y913 PolarHBondContact O-N 3.2Å; Y913-L915 PolarHBondContact O-N 3.36Å; Y913-T916 PolarHBondContact O-N 2.98Å; Y913-S917 WeakPolarHBondContact O-CB 3.29Å; Y913-S917 PolarHBondContact O-N 3.28Å; Y913-S917 PolarHBondContact O-OG 3.32Å
914V93.4Very high89.1Confident0 Ų036.1 Ų36.10%020%0.2CC..Hα-helixtrans-61.8-42.3-178.7169.50000111.6L870 L892 V910 L911 L912 S917 L918L870-V914 HydrophobicContact CD2-CG2 4.02Å; L892-V914 HydrophobicContact CD1-CG1 3.75Å; L892-V914 HydrophobicContact CD2-CG1 3.89Å; L892-V914 HydrophobicContact CG-CG1 4.45Å; V910-V914 WeakPolarHBondContact O-CG2 3.34Å; V910-V914 PolarHBondContact O-N 3.28Å; L911-V914 PolarHBondContact O-N 3.21Å; L912-V914 VanDerWaalsContact C-N 3.34Å; L912-V914 PolarHBondContact O-N 3.35Å; V914-S917 PolarHBondContact O-OG 2.58Å; V914-L918 HydrophobicContact CG1-CD1 4.4Å; V914-L918 WeakPolarHBondContact O-CG 3.47Å; V914-L918 PolarHBondContact O-N 3.08Å
915L91.4Very high88.4Confident2 Ų242.6 Ų42.61%0.0123%0.234CC..Hα-helixtrans-71.6-38.6178.3-66.4166.3000112L911 L912 Y913 S917 L918 S919 M940 F971 M972 V978 M982L911-L915 HydrophobicContact CG-CD1 4.47Å; L911-L915 WeakPolarHBondContact O-CG 3.48Å; L911-L915 PolarHBondContact O-N 2.89Å; L912-L915 PolarHBondContact O-N 3Å; Y913-L915 PolarHBondContact O-N 3.36Å; L915-S917 VanDerWaalsContact C-N 3.32Å; L915-S917 PolarHBondContact O-N 2.8Å; L915-L918 PolarHBondContact O-N 2.97Å; L915-S919 WeakPolarHBondContact O-CB 3.44Å; L915-S919 PolarHBondContact O-N 3.27Å; L915-M940 HydrophobicContact CD2-CE 3.53Å; L915-M940 HydrophobicContact CD2-SD 4.1Å; L915-M940 HydrophobicContact CG-CE 4.36Å; L915-F971 HydrophobicContact CD1-CE1 3.7Å; L915-M972 HydrophobicContact CD1-CE 3.26Å; L915-M972 HydrophobicContact CD1-SD 4.41Å; L915-V978 HydrophobicContact CB-CG1 3.67Å; L915-V978 HydrophobicContact CD1-CG1 4.36Å; L915-M982 HydrophobicContact CB-CE 3.96Å; L915-M982 HydrophobicContact CD2-CE 4.1Å; L915-M982 WeakPolarHBondContact O-CE 3.42Å
916T90.7Very high87.9Confident42 Ų4239.7 Ų39.726%0.25822%0.219SC..Hα-helixtrans-63.2-42.7175.8-520000110.1L912 Y913 L918 S919 E920L912-T916 WeakPolarHBondContact O-CB 3.32Å; L912-T916 PolarHBondContact O-N 3.47Å; L912-T916 PolarHBondContact O-OG1 3.14Å; Y913-T916 PolarHBondContact O-N 2.98Å; T916-L918 VanDerWaalsContact C-N 3.33Å; T916-L918 PolarHBondContact O-N 3.43Å; T916-S919 WeakPolarHBondContact O-CB 3.28Å; T916-S919 PolarHBondContact O-N 3.35Å; T916-E920 WeakPolarHBondContact O-CG 3.43Å; T916-E920 PolarHBondContact O-N 3.36Å
917S92.7Very high87.5Confident0 Ų042 Ų420%023%0.234CC..Hα-helixtrans-65-34.9176.272.80000112.6Y888 Y889 Y913 V914 L915 G921Y888-S917 PolarHBondContact OH-OG 3.1Å; Y889-S917 WeakPolarHBondContact CE1-O 3.36Å; Y889-S917 PolarHBondContact OH-O 3.35Å; Y913-S917 WeakPolarHBondContact O-CB 3.29Å; Y913-S917 PolarHBondContact O-N 3.28Å; Y913-S917 PolarHBondContact O-OG 3.32Å; V914-S917 PolarHBondContact O-OG 2.58Å; L915-S917 VanDerWaalsContact C-N 3.32Å; L915-S917 PolarHBondContact O-N 2.8Å; S917-G921 WeakPolarHBondContact O-CA 3.26Å; S917-G921 PolarHBondContact O-N 3.43Å
918L93Very high87.2Confident0 Ų038.8 Ų38.80%022%0.223CC..Hα-helixtrans-65.3-45.7170.9-75.1173000111.5Y889 L892 V914 L915 T916 E920 G921 L922 C933 M940 M982Y889-L918 HydrophobicContact CD1-CD2 4.45Å; L892-L918 HydrophobicContact CD2-CD1 4.22Å; L892-L918 HydrophobicContact CD2-CD2 3.66Å; L892-L918 HydrophobicContact CD2-CG 3.83Å; V914-L918 HydrophobicContact CG1-CD1 4.4Å; V914-L918 WeakPolarHBondContact O-CG 3.47Å; V914-L918 PolarHBondContact O-N 3.08Å; L915-L918 PolarHBondContact O-N 2.97Å; T916-L918 VanDerWaalsContact C-N 3.33Å; T916-L918 PolarHBondContact O-N 3.43Å; L918-E920 PolarHBondContact O-N 3.38Å; L918-G921 PolarHBondContact O-N 3.47Å; L918-L922 VanDerWaalsContact O-CG 3.27Å; L918-L922 WeakPolarHBondContact O-CG 3.3Å; L918-L922 PolarHBondContact O-N 3.37Å; L918-C933 HydrophobicContact CD2-CB 3.96Å; L918-M940 HydrophobicContact CD1-SD 3.74Å; L918-M982 HydrophobicContact CB-CE 3.83Å
919S89.6Confident87.2Confident4 Ų435.1 Ų35.13%0.02820%0.199CC..Hα-helixtrans-58.1-47.3178.9-169.60000111.3L915 T916 Q981L915-S919 WeakPolarHBondContact O-CB 3.44Å; L915-S919 PolarHBondContact O-N 3.27Å; T916-S919 WeakPolarHBondContact O-CB 3.28Å; T916-S919 PolarHBondContact O-N 3.35Å; S919-Q981 PolarHBondContact OG-OE1 3.29Å
920E86.4Confident87.1Confident67 Ų6731.3 Ų31.331%0.31318%0.175SC..Hα-helixtrans-70-36.3175.1-63.4-178.8-159.400112.4H875 L879 T916 L918 L922 T923H875-E920 WeakPolarHBondContact CB-OE2 3.27Å; H875-E920 IonicContact CG-OE1 3.77Å; L879-E920 HydrophobicContact CD1-CB 3.73Å; T916-E920 WeakPolarHBondContact O-CG 3.43Å; T916-E920 PolarHBondContact O-N 3.36Å; L918-E920 PolarHBondContact O-N 3.38Å; E920-L922 VanDerWaalsContact C-N 3.29Å; E920-L922 PolarHBondContact O-N 2.95Å; E920-T923 PolarHBondContact O-N 2.87Å; E920-T923 PolarHBondContact O-OG1 3.05Å
921G86.6Confident87Confident0 Ų032.3 Ų32.30%018%0.182CC..Hα-helixtrans-65.6-30.317800000113.5Y889 S917 L918 T923 T924Y889-G921 WeakPolarHBondContact OH-CA 3.39Å; S917-G921 WeakPolarHBondContact O-CA 3.26Å; S917-G921 PolarHBondContact O-N 3.43Å; L918-G921 PolarHBondContact O-N 3.47Å; G921-T923 VanDerWaalsContact C-N 3.25Å; G921-T923 PolarHBondContact O-N 2.91Å; G921-T924 WeakPolarHBondContact O-CB 3.2Å; G921-T924 WeakPolarHBondContact O-CG2 3.36Å; G921-T924 PolarHBondContact O-N 3.4Å; G921-T924 PolarHBondContact O-OG1 3.31Å
922L86.9Confident87.1Confident6 Ų632.5 Ų32.53%0.03118%0.184CC..Hα-helixtrans-65.3-26176.9-75.6173000113.4L918 E920 T924 C933 C934 L937 M982 V985 L986L918-L922 VanDerWaalsContact O-CG 3.27Å; L918-L922 WeakPolarHBondContact O-CG 3.3Å; L918-L922 PolarHBondContact O-N 3.37Å; E920-L922 VanDerWaalsContact C-N 3.29Å; E920-L922 PolarHBondContact O-N 2.95Å; L922-T924 VanDerWaalsContact C-N 3.31Å; L922-C933 HydrophobicContact CD2-CB 3.65Å; L922-C933 HydrophobicContact CG-CB 3.99Å; L922-C934 HydrophobicContact CD2-CB 4.47Å; L922-C934 WeakPolarHBondContact CD2-SG 3.15Å; L922-L937 HydrophobicContact CD1-CD2 4Å; L922-M982 HydrophobicContact CD1-CB 4.3Å; L922-M982 HydrophobicContact CD1-CG 4.21Å; L922-V985 HydrophobicContact CB-CG1 4.02Å; L922-L986 HydrophobicContact CD1-CD2 4.04Å; L922-L986 HydrophobicContact CD1-CG 4.27Å; L922-L986 HydrophobicContact CD2-CD2 3.77Å; L922-L986 HydrophobicContact CG-CD2 4.41Å
923T82.4Confident87.2Confident86 Ų8629.4 Ų29.453%0.52817%0.168SC..THydrogen-bonded Turntrans-87.3-0.7179.465.40000113.1E920 G921 V985E920-T923 PolarHBondContact O-N 2.87Å; E920-T923 PolarHBondContact O-OG1 3.05Å; G921-T923 VanDerWaalsContact C-N 3.25Å; G921-T923 PolarHBondContact O-N 2.91Å; T923-V985 HydrophobicContact CG2-CG1 3.7Å; T923-V985 HydrophobicContact CG2-CG2 4.23Å
924T79.7Confident87.2Confident34 Ų3428.3 Ų28.321%0.20916%0.163CC..  trans-74.9145.8-178.1660000112.5L879 G921 L922 D926 V929L879-T924 HydrophobicContact CD1-CG2 4.18Å; L879-T924 HydrophobicContact CD2-CG2 3.53Å; L879-T924 HydrophobicContact CG-CG2 4.43Å; G921-T924 WeakPolarHBondContact O-CB 3.2Å; G921-T924 WeakPolarHBondContact O-CG2 3.36Å; G921-T924 PolarHBondContact O-N 3.4Å; G921-T924 PolarHBondContact O-OG1 3.31Å; L922-T924 VanDerWaalsContact C-N 3.31Å; T924-D926 VanDerWaalsContact C-N 3.32Å; T924-V929 HydrophobicContact CG2-CG1 4.26Å; T924-V929 WeakPolarHBondContact OG1-CG1 3.41Å
925L71.7Confident87.2Confident141 Ų14129.7 Ų29.774%0.73817%0.172SC*.SBendtrans-75.9-17.6175.1-63.7173.8000113.2Y166 T927Y166-L925 HydrophobicContact CD1-CD1 4.03Å; Y166-L925 HydrophobicContact CE1-CD1 3.99Å; L925-T927 PolarHBondContact O-N 2.85Å; L925-T927 VanDerWaalsContact O-N 3.16Å
926D78Confident87.4Confident25 Ų2529.6 Ų29.613%0.13417%0.172CC..  trans-73.6107.1177.5-168.3-34.7000109.5R882 Q886 T924 V928 V929 S930R882-D926 IonicContact CZ-OD2 3.84Å; R882-D926 IonicContact NE-OD2 2.85Å; R882-D926 PolarHBondContact NE-OD2 2.95Å; R882-D926 IonicContact NH2-OD2 3.09Å; R882-D926 PolarHBondContact NH2-OD2 3.29Å; R882-D926 VanDerWaalsContact NH2-OD2 3.15Å; Q886-D926 PolarHBondContact NE2-OD2 2.9Å; T924-D926 VanDerWaalsContact C-N 3.32Å; D926-V928 PolarHBondContact O-N 3.48Å; D926-V928 VanDerWaalsContact O-N 3.15Å; D926-V928 WeakPolarHBondContact OD1-CB 3.46Å; D926-V928 PolarHBondContact OD1-N 3.42Å; D926-V929 HydrophobicContact CB-CB 4.22Å; D926-V929 HydrophobicContact CB-CG2 4.09Å; D926-V929 PolarHBondContact O-N 3.13Å; D926-S930 PolarHBondContact O-N 2.95Å
927T81.4Confident87.5Confident68 Ų6827.7 Ų27.742%0.41716%0.159SC..Hα-helixtrans-58.1-30.5-17752.70000113.1L925 S931 R996L925-T927 PolarHBondContact O-N 2.85Å; L925-T927 VanDerWaalsContact O-N 3.16Å; T927-S931 WeakPolarHBondContact O-CB 3.46Å; T927-S931 PolarHBondContact O-N 3.09Å; T927-S931 PolarHBondContact O-OG 3.3Å; T927-S931 VanDerWaalsContact O-OG 3.14Å; T927-R996 HydrophobicContact CG2-CB 4.45Å
928V83.8Confident87.6Confident73 Ų7328.4 Ų28.444%0.44216%0.164SC..Hα-helixtrans-67.2-43.5177.5179.60000110D926 S932D926-V928 PolarHBondContact O-N 3.48Å; D926-V928 VanDerWaalsContact O-N 3.15Å; D926-V928 WeakPolarHBondContact OD1-CB 3.46Å; D926-V928 PolarHBondContact OD1-N 3.42Å; V928-S932 WeakPolarHBondContact O-CB 3.23Å; V928-S932 PolarHBondContact O-N 3.03Å; V928-S932 PolarHBondContact O-OG 3.07Å
929V87.5Confident87.6Confident2 Ų231.8 Ų31.81%0.01218%0.177CC..Hα-helixtrans-67.5-53.1179173.10000110.6Q886 Y889 T924 D926 S931 S932 C933Q886-V929 HydrophobicContact CG-CG2 4.42Å; Y889-V929 HydrophobicContact CD2-CB 4.38Å; Y889-V929 HydrophobicContact CD2-CG1 3.41Å; Y889-V929 VanDerWaalsContact CD2-CG1 3.41Å; Y889-V929 HydrophobicContact CD2-CG2 4.29Å; Y889-V929 HydrophobicContact CE2-CG1 3.59Å; Y889-V929 HydrophobicContact CG-CG1 3.96Å; T924-V929 HydrophobicContact CG2-CG1 4.26Å; T924-V929 WeakPolarHBondContact OG1-CG1 3.41Å; D926-V929 HydrophobicContact CB-CB 4.22Å; D926-V929 HydrophobicContact CB-CG2 4.09Å; D926-V929 PolarHBondContact O-N 3.13Å; V929-S931 VanDerWaalsContact C-N 3.32Å; V929-S931 PolarHBondContact O-N 2.92Å; V929-S932 PolarHBondContact O-N 2.8Å; V929-C933 PolarHBondContact O-N 3.22Å; V929-C933 PolarHBondContact O-SG 3.47Å
930S87.1Confident87.7Confident9 Ų931.8 Ų31.86%0.06318%0.176CC..Hα-helixtrans-57.1-44.5179.1176.20000111.6D926 C933 C934 N997D926-S930 PolarHBondContact O-N 2.95Å; S930-C933 WeakPolarHBondContact O-CB 3.46Å; S930-C933 PolarHBondContact O-N 3.34Å; S930-C934 PolarHBondContact O-N 2.77Å; S930-C934 PolarHBondContact O-SG 3.48Å; S930-N997 PolarHBondContact OG-ND2 2.97Å
931S90.3Very high87.9Confident27 Ų2728.6 Ų28.619%0.18916%0.162CC..Hα-helixtrans-63.6-44.5176.3-76.60000112.9T927 V929 C933 C934 T935 N997 S1000T927-S931 WeakPolarHBondContact O-CB 3.46Å; T927-S931 PolarHBondContact O-N 3.09Å; T927-S931 PolarHBondContact O-OG 3.3Å; T927-S931 VanDerWaalsContact O-OG 3.14Å; V929-S931 VanDerWaalsContact C-N 3.32Å; V929-S931 PolarHBondContact O-N 2.92Å; S931-C933 VanDerWaalsContact C-N 3.33Å; S931-C933 PolarHBondContact O-N 3.26Å; S931-C934 PolarHBondContact O-N 3.48Å; S931-T935 PolarHBondContact O-N 3.17Å; S931-T935 PolarHBondContact O-OG1 3.13Å; S931-N997 WeakPolarHBondContact OG-CB 3.41Å; S931-N997 PolarHBondContact OG-ND2 3.08Å; S931-S1000 PolarHBondContact OG-OG 3.18Å
932S92.3Very high88Confident8 Ų829.2 Ų29.26%0.05617%0.165CC..Hα-helixtrans-61.2-40.8174.8-75.70000112E893 V928 V929 C934 T935 S936E893-S932 WeakPolarHBondContact OE2-CA 3.5Å; E893-S932 VanDerWaalsContact OE2-CB 3.26Å; E893-S932 WeakPolarHBondContact OE2-CB 3.44Å; E893-S932 PolarHBondContact OE2-OG 2.96Å; V928-S932 WeakPolarHBondContact O-CB 3.23Å; V928-S932 PolarHBondContact O-N 3.03Å; V928-S932 PolarHBondContact O-OG 3.07Å; V929-S932 PolarHBondContact O-N 2.8Å; S932-C934 PolarHBondContact O-N 3.23Å; S932-T935 PolarHBondContact O-N 3.01Å; S932-S936 WeakPolarHBondContact O-CB 3.5Å; S932-S936 PolarHBondContact O-N 3.33Å; S932-S936 PolarHBondContact O-OG 2.9Å
933C93.5Very high88.1Confident0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-60.5-45.2174.2-68.70000112.3Y889 L918 L922 V929 S930 S931 S936 L937Y889-C933 WeakPolarHBondContact CD1-SG 3.48Å; Y889-C933 WeakPolarHBondContact CE1-SG 3.35Å; L918-C933 HydrophobicContact CD2-CB 3.96Å; L922-C933 HydrophobicContact CD2-CB 3.65Å; L922-C933 HydrophobicContact CG-CB 3.99Å; V929-C933 PolarHBondContact O-N 3.22Å; V929-C933 PolarHBondContact O-SG 3.47Å; S930-C933 WeakPolarHBondContact O-CB 3.46Å; S930-C933 PolarHBondContact O-N 3.34Å; S931-C933 VanDerWaalsContact C-N 3.33Å; S931-C933 PolarHBondContact O-N 3.26Å; C933-S936 PolarHBondContact O-N 3.06Å; C933-L937 VanDerWaalsContact O-CB 3.3Å; C933-L937 WeakPolarHBondContact O-CB 3.37Å; C933-L937 PolarHBondContact O-N 3.43Å
934C93.4Very high88.2Confident0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-61.2-44.6177.1-69.30000111.8L922 S930 S931 S932 L937 D938 S1000 P1004L922-C934 HydrophobicContact CD2-CB 4.47Å; L922-C934 WeakPolarHBondContact CD2-SG 3.15Å; S930-C934 PolarHBondContact O-N 2.77Å; S930-C934 PolarHBondContact O-SG 3.48Å; S931-C934 PolarHBondContact O-N 3.48Å; S932-C934 PolarHBondContact O-N 3.23Å; C934-L937 PolarHBondContact O-N 3.42Å; C934-D938 WeakPolarHBondContact O-CB 3.06Å; C934-D938 PolarHBondContact O-N 3.5Å; C934-S1000 WeakPolarHBondContact CB-O 3.48Å; C934-P1004 HydrophobicContact CB-CG 3.98Å; C934-P1004 WeakPolarHBondContact O-CG 3.37Å
935T93.8Very high88.4Confident30 Ų3027.3 Ų27.318%0.18415%0.146CC..Hα-helixtrans-65.6-45.2178.6-50.40000111.1E893 S931 S932 L937 D938 Y939E893-T935 HydrophobicContact CG-CG2 3.98Å; E893-T935 WeakPolarHBondContact OE1-CG2 3.4Å; S931-T935 PolarHBondContact O-N 3.17Å; S931-T935 PolarHBondContact O-OG1 3.13Å; S932-T935 PolarHBondContact O-N 3.01Å; T935-L937 VanDerWaalsContact C-N 3.32Å; T935-L937 PolarHBondContact O-N 2.96Å; T935-D938 PolarHBondContact O-N 2.93Å; T935-Y939 HydrophobicContact CG2-CD2 3.97Å; T935-Y939 HydrophobicContact CG2-CE2 3.41Å; T935-Y939 VanDerWaalsContact CG2-CE2 3.41Å; T935-Y939 VanDerWaalsContact O-CD2 3.24Å; T935-Y939 WeakPolarHBondContact O-CD2 3.48Å; T935-Y939 PolarHBondContact O-N 3.01Å
936S94.7Very high89Confident0 Ų026.8 Ų26.80%014%0.138CC..Hα-helixtrans-55-48.8173.7-75.20000111.8E893 T896 S932 C933 D938 Y939 M940E893-S936 WeakPolarHBondContact CA-OG 3.07Å; E893-S936 PolarHBondContact N-OG 3.01Å; E893-S936 VanDerWaalsContact N-OG 3.15Å; T896-S936 WeakPolarHBondContact OG1-CA 3.31Å; T896-S936 PolarHBondContact OG1-OG 3.02Å; S932-S936 WeakPolarHBondContact O-CB 3.5Å; S932-S936 PolarHBondContact O-N 3.33Å; S932-S936 PolarHBondContact O-OG 2.9Å; C933-S936 PolarHBondContact O-N 3.06Å; S936-D938 PolarHBondContact O-N 3.46Å; S936-Y939 PolarHBondContact O-N 3.37Å; S936-M940 VanDerWaalsContact O-CG 3.31Å; S936-M940 WeakPolarHBondContact O-CG 3.28Å; S936-M940 PolarHBondContact O-N 3.05Å
937L93.5Very high89.1Confident1 Ų127 Ų271%0.00514%0.138CC..Hα-helixtrans-63.9-40.6179.6-175.756.3000111.8L922 C933 C934 T935 Y939 M940 V941 M982 L986 P1004 L1008L922-L937 HydrophobicContact CD1-CD2 4Å; C933-L937 VanDerWaalsContact O-CB 3.3Å; C933-L937 WeakPolarHBondContact O-CB 3.37Å; C933-L937 PolarHBondContact O-N 3.43Å; C934-L937 PolarHBondContact O-N 3.42Å; T935-L937 VanDerWaalsContact C-N 3.32Å; T935-L937 PolarHBondContact O-N 2.96Å; L937-Y939 VanDerWaalsContact C-N 3.33Å; L937-Y939 PolarHBondContact O-N 3.45Å; L937-M940 PolarHBondContact O-N 2.93Å; L937-V941 HydrophobicContact CD1-CG2 3.91Å; L937-V941 HydrophobicContact CG-CG2 4.24Å; L937-V941 VanDerWaalsContact O-CB 3.3Å; L937-V941 WeakPolarHBondContact O-CB 3.43Å; L937-V941 VanDerWaalsContact O-CG2 3.27Å; L937-V941 WeakPolarHBondContact O-CG2 3.4Å; L937-V941 PolarHBondContact O-N 3.3Å; L937-M982 HydrophobicContact CD1-SD 3.59Å; L937-M982 VanDerWaalsContact CD1-SD 3.59Å; L937-M982 HydrophobicContact CD2-CB 4.07Å; L937-M982 HydrophobicContact CD2-CG 4.33Å; L937-M982 HydrophobicContact CD2-SD 3.77Å; L937-M982 HydrophobicContact CG-SD 4.35Å; L937-L986 HydrophobicContact CD2-CD1 4.21Å; L937-P1004 HydrophobicContact CB-CB 4Å; L937-P1004 HydrophobicContact CD2-CB 4Å; L937-P1004 HydrophobicContact CG-CB 3.82Å; L937-L1008 HydrophobicContact CD2-CD1 4.01Å
938D94.1Very high89Confident16 Ų1627 Ų279%0.08614%0.135CC..Hα-helixtrans-60.5-43.1176.1-176.646.6000111C934 T935 S936 T942 R1003 P1004 R1055C934-D938 WeakPolarHBondContact O-CB 3.06Å; C934-D938 PolarHBondContact O-N 3.5Å; T935-D938 PolarHBondContact O-N 2.93Å; S936-D938 PolarHBondContact O-N 3.46Å; D938-T942 WeakPolarHBondContact O-CB 3.44Å; D938-T942 PolarHBondContact O-N 3.46Å; D938-T942 PolarHBondContact O-OG1 3.41Å; D938-R1003 HydrophobicContact CB-CB 4.13Å; D938-P1004 HydrophobicContact CB-CB 4.16Å; D938-R1055 IonicContact OD1-CZ 3.13Å; D938-R1055 IonicContact OD1-NE 2.92Å; D938-R1055 IonicContact OD1-NH2 2.81Å; D938-R1055 PolarHBondContact OD1-NH2 3.2Å; D938-R1055 IonicContact OD2-CZ 3.31Å; D938-R1055 IonicContact OD2-NE 3.41Å; D938-R1055 IonicContact OD2-NH2 3.47Å; D938-R1055 PolarHBondContact OD2-NH2 3.19Å
939Y93.2Very high88.5Confident70 Ų7026.6 Ų26.628%0.27514%0.139SC..Hα-helixtrans-62.5-45175.4-71.6-50.3000112.5Q897 T935 S936 L937 T942 Y943Q897-Y939 HydrophobicContact CB-CD2 3.77Å; Q897-Y939 HydrophobicContact CB-CE1 4.41Å; Q897-Y939 HydrophobicContact CB-CE2 3.48Å; Q897-Y939 VanDerWaalsContact CB-CE2 3.48Å; Q897-Y939 HydrophobicContact CB-CG 4.35Å; Q897-Y939 HydrophobicContact CG-CD2 4.35Å; Q897-Y939 HydrophobicContact CG-CE1 3.98Å; Q897-Y939 HydrophobicContact CG-CE2 3.69Å; Q897-Y939 PolarHBondContact OE1-OH 2.93Å; T935-Y939 HydrophobicContact CG2-CD2 3.97Å; T935-Y939 HydrophobicContact CG2-CE2 3.41Å; T935-Y939 VanDerWaalsContact CG2-CE2 3.41Å; T935-Y939 VanDerWaalsContact O-CD2 3.24Å; T935-Y939 WeakPolarHBondContact O-CD2 3.48Å; T935-Y939 PolarHBondContact O-N 3.01Å; S936-Y939 PolarHBondContact O-N 3.37Å; L937-Y939 VanDerWaalsContact C-N 3.33Å; L937-Y939 PolarHBondContact O-N 3.45Å; Y939-T942 PolarHBondContact O-N 2.97Å; Y939-Y943 WeakPolarHBondContact O-CB 3.23Å; Y939-Y943 PolarHBondContact O-N 2.91Å
940M91.2Very high87.8Confident4 Ų432.8 Ų32.82%0.0217%0.166CC..Hα-helixtrans-61.8-47.5178.5-65.5-177.374.300111.9T896 M900 I903 L911 L915 L918 S936 L937 Y943 L944T896-M940 HydrophobicContact CG2-CG 3.8Å; T896-M940 HydrophobicContact CG2-SD 4.14Å; M900-M940 HydrophobicContact CE-CB 3.98Å; M900-M940 HydrophobicContact CE-CE 4.19Å; M900-M940 HydrophobicContact CE-CG 3.73Å; M900-M940 HydrophobicContact SD-CG 3.98Å; I903-M940 HydrophobicContact CG2-CE 4.24Å; L911-M940 HydrophobicContact CD1-CE 4.36Å; L915-M940 HydrophobicContact CD2-CE 3.53Å; L915-M940 HydrophobicContact CD2-SD 4.1Å; L915-M940 HydrophobicContact CG-CE 4.36Å; L918-M940 HydrophobicContact CD1-SD 3.74Å; S936-M940 VanDerWaalsContact O-CG 3.31Å; S936-M940 WeakPolarHBondContact O-CG 3.28Å; S936-M940 PolarHBondContact O-N 3.05Å; L937-M940 PolarHBondContact O-N 2.93Å; M940-Y943 WeakPolarHBondContact O-CB 3.34Å; M940-Y943 PolarHBondContact O-N 2.95Å; M940-L944 PolarHBondContact O-N 3Å
941V90.1Very high86.6Confident1 Ų137.9 Ų37.91%0.00619%0.189CC..Hα-helixtrans-65.8-40.9178.9166.30000111.2L937 Y943 L944 F945 L1008 L1011L937-V941 HydrophobicContact CD1-CG2 3.91Å; L937-V941 HydrophobicContact CG-CG2 4.24Å; L937-V941 VanDerWaalsContact O-CB 3.3Å; L937-V941 WeakPolarHBondContact O-CB 3.43Å; L937-V941 VanDerWaalsContact O-CG2 3.27Å; L937-V941 WeakPolarHBondContact O-CG2 3.4Å; L937-V941 PolarHBondContact O-N 3.3Å; V941-Y943 VanDerWaalsContact C-N 3.3Å; V941-Y943 PolarHBondContact O-N 2.91Å; V941-L944 WeakPolarHBondContact O-CB 3.32Å; V941-L944 PolarHBondContact O-N 3.12Å; V941-F945 WeakPolarHBondContact O-CB 3.42Å; V941-F945 PolarHBondContact O-N 3.34Å; V941-L1008 HydrophobicContact CG2-CD2 3.82Å; V941-L1008 HydrophobicContact CG2-CG 4.18Å; V941-L1011 HydrophobicContact CB-CD1 4.37Å; V941-L1011 HydrophobicContact CG1-CD1 3.74Å; V941-L1011 HydrophobicContact CG1-CG 4.44Å; V941-L1011 HydrophobicContact CG2-CD1 4.4Å
942T90.2Very high84.9Confident13 Ų1340.3 Ų40.38%0.0822%0.218CC..Hα-helixtrans-60.2-42.8174.2-59.70000111.5D938 Y939 F945 K946 R1055D938-T942 WeakPolarHBondContact O-CB 3.44Å; D938-T942 PolarHBondContact O-N 3.46Å; D938-T942 PolarHBondContact O-OG1 3.41Å; Y939-T942 PolarHBondContact O-N 2.97Å; T942-F945 PolarHBondContact O-N 3.1Å; T942-K946 HydrophobicContact CG2-CD 4.12Å; T942-K946 HydrophobicContact CG2-CG 4.46Å; T942-K946 WeakPolarHBondContact O-CB 3.36Å; T942-K946 VanDerWaalsContact O-CG 3.31Å; T942-K946 WeakPolarHBondContact O-CG 3.24Å; T942-K946 PolarHBondContact O-N 3.47Å; T942-R1055 PolarHBondContact OG1-NH2 3.04Å
943Y87.7Confident83Confident45 Ų4547.7 Ų47.718%0.17625%0.249CC..Hα-helixtrans-63.2-45.8178.9-173.7-94.3000111M900 T904 Y939 M940 V941 K946 H947 L968M900-Y943 HydrophobicContact CB-CD2 4.11Å; M900-Y943 HydrophobicContact CB-CE2 4.34Å; M900-Y943 HydrophobicContact CB-CG 4.44Å; M900-Y943 HydrophobicContact CE-CD1 4.25Å; M900-Y943 HydrophobicContact CG-CD1 3.86Å; M900-Y943 HydrophobicContact CG-CD2 3.69Å; M900-Y943 HydrophobicContact CG-CE1 4.27Å; M900-Y943 HydrophobicContact CG-CE2 4.14Å; M900-Y943 HydrophobicContact CG-CG 3.54Å; T904-Y943 HydrophobicContact CG2-CD1 4.22Å; T904-Y943 HydrophobicContact CG2-CE1 3.71Å; Y939-Y943 WeakPolarHBondContact O-CB 3.23Å; Y939-Y943 PolarHBondContact O-N 2.91Å; M940-Y943 WeakPolarHBondContact O-CB 3.34Å; M940-Y943 PolarHBondContact O-N 2.95Å; V941-Y943 VanDerWaalsContact C-N 3.3Å; V941-Y943 PolarHBondContact O-N 2.91Å; Y943-K946 PolarHBondContact O-N 3.06Å; Y943-H947 AromaticContact CD1-CD2 3.79Å; Y943-H947 AromaticContact CE1-CD2 3.42Å; Y943-H947 VanDerWaalsContact CE1-CD2 3.42Å; Y943-H947 WeakPolarHBondContact CE1-CD2 3.15Å; Y943-H947 AromaticContact CE1-NE2 3.41Å; Y943-H947 WeakPolarHBondContact CE1-NE2 3.33Å; Y943-H947 AromaticContact CE2-NE2 3.76Å; Y943-H947 AromaticContact CZ-CD2 3.66Å; Y943-H947 AromaticContact CZ-NE2 3.16Å; Y943-H947 PolarHBondContact O-CD2 3.42Å; Y943-H947 VanDerWaalsContact O-CD2 3.28Å; Y943-H947 PolarHBondContact O-N 2.89Å; Y943-H947 PolarHBondContact OH-NE2 2.94Å; Y943-H947 VanDerWaalsContact OH-NE2 3.12Å; Y943-L968 HydrophobicContact CD1-CD2 3.99Å
944L85.3Confident80.6Confident7 Ų757.5 Ų57.54%0.03729%0.292CS..Hα-helixtrans-57.6-52.5173.5-78.9166.8000112.3M940 V941 K946 H947 I948 L968 L969 M972 L1011M940-L944 PolarHBondContact O-N 3Å; V941-L944 WeakPolarHBondContact O-CB 3.32Å; V941-L944 PolarHBondContact O-N 3.12Å; L944-K946 VanDerWaalsContact C-N 3.33Å; L944-K946 PolarHBondContact O-N 2.73Å; L944-H947 PolarHBondContact O-N 3Å; L944-I948 PolarHBondContact O-N 3.26Å; L944-L968 HydrophobicContact CD1-CD2 4.12Å; L944-L968 HydrophobicContact CD1-CG 4.43Å; L944-L968 HydrophobicContact CD2-CB 4.12Å; L944-L968 HydrophobicContact CD2-CD2 3.56Å; L944-L968 HydrophobicContact CD2-CG 3.63Å; L944-L968 HydrophobicContact CG-CD2 3.53Å; L944-L968 HydrophobicContact CG-CG 4.08Å; L944-L969 HydrophobicContact CD2-CB 4.38Å; L944-M972 HydrophobicContact CD1-CG 3.74Å; L944-M972 HydrophobicContact CD1-SD 4.21Å; L944-M972 HydrophobicContact CD2-CG 4.18Å; L944-L1011 HydrophobicContact CB-CD1 4.09Å; L944-L1011 HydrophobicContact CD1-CD1 4.31Å
945F84.5Confident78.5Confident34 Ų3461.6 Ų61.615%0.14932%0.318CS..Hα-helixtrans-60.2-41.9-177.9-169.7-89.1000112V941 T942 H947 I948 A949 L1010 L1011 L1050V941-F945 WeakPolarHBondContact O-CB 3.42Å; V941-F945 PolarHBondContact O-N 3.34Å; T942-F945 PolarHBondContact O-N 3.1Å; F945-H947 PolarHBondContact O-N 3.14Å; F945-I948 PolarHBondContact O-N 3.34Å; F945-A949 WeakPolarHBondContact O-CB 3.44Å; F945-A949 PolarHBondContact O-N 3.02Å; F945-L1010 HydrophobicContact CD2-CB 4.31Å; F945-L1010 HydrophobicContact CE2-CB 3.84Å; F945-L1010 HydrophobicContact CE2-CD1 4.13Å; F945-L1010 HydrophobicContact CZ-CD1 4.31Å; F945-L1011 HydrophobicContact CB-CD2 4.29Å; F945-L1011 HydrophobicContact CD2-CD2 3.97Å; F945-L1011 HydrophobicContact CD2-CG 4.45Å; F945-L1050 HydrophobicContact CB-CD1 3.58Å; F945-L1050 HydrophobicContact CD1-CD1 3.91Å; F945-L1050 HydrophobicContact CD1-CG 3.98Å; F945-L1050 HydrophobicContact CD2-CD1 4.35Å; F945-L1050 HydrophobicContact CE1-CG 4.38Å; F945-L1050 HydrophobicContact CG-CD1 3.68Å; F945-L1050 HydrophobicContact CG-CG 4.11Å
946K84Confident76.5Confident129 Ų12968.3 Ų68.356%0.56135%0.352SS*.Hα-helixtrans-61.9-30175.8-78.9176.5180173.50113.2T942 Y943 L944 K950T942-K946 HydrophobicContact CG2-CD 4.12Å; T942-K946 HydrophobicContact CG2-CG 4.46Å; T942-K946 WeakPolarHBondContact O-CB 3.36Å; T942-K946 VanDerWaalsContact O-CG 3.31Å; T942-K946 WeakPolarHBondContact O-CG 3.24Å; T942-K946 PolarHBondContact O-N 3.47Å; Y943-K946 PolarHBondContact O-N 3.06Å; L944-K946 VanDerWaalsContact C-N 3.33Å; L944-K946 PolarHBondContact O-N 2.73Å; K946-K950 WeakPolarHBondContact O-CG 3.33Å
947H79Confident74.4Confident29 Ų2979.9 Ų79.913%0.13440%0.396CS..Hα-helixtrans-78.9-45.8177.1-86.4-67.1000112Y943 L944 F945 A949 K950 E951 A961Y943-H947 AromaticContact CD1-CD2 3.79Å; Y943-H947 AromaticContact CE1-CD2 3.42Å; Y943-H947 VanDerWaalsContact CE1-CD2 3.42Å; Y943-H947 WeakPolarHBondContact CE1-CD2 3.15Å; Y943-H947 AromaticContact CE1-NE2 3.41Å; Y943-H947 WeakPolarHBondContact CE1-NE2 3.33Å; Y943-H947 AromaticContact CE2-NE2 3.76Å; Y943-H947 AromaticContact CZ-CD2 3.66Å; Y943-H947 AromaticContact CZ-NE2 3.16Å; Y943-H947 PolarHBondContact O-CD2 3.42Å; Y943-H947 VanDerWaalsContact O-CD2 3.28Å; Y943-H947 PolarHBondContact O-N 2.89Å; Y943-H947 PolarHBondContact OH-NE2 2.94Å; Y943-H947 VanDerWaalsContact OH-NE2 3.12Å; L944-H947 PolarHBondContact O-N 3Å; F945-H947 PolarHBondContact O-N 3.14Å; H947-A949 VanDerWaalsContact C-N 3.3Å; H947-A949 PolarHBondContact O-N 3.27Å; H947-K950 WeakPolarHBondContact O-CB 3.39Å; H947-K950 PolarHBondContact O-N 2.94Å; H947-E951 PolarHBondContact O-N 3.13Å; H947-A961 PolarHBondContact CE1-O 3.22Å
948I78.9Confident72.5Confident69 Ų6983.1 Ų83.135%0.35442%0.419SS..Hα-helixtrans-57.9-44.7175.9-64.4165.6000110.5L944 F945 K950 E951 L969 L1011L944-I948 PolarHBondContact O-N 3.26Å; F945-I948 PolarHBondContact O-N 3.34Å; I948-K950 PolarHBondContact O-N 3.18Å; I948-K950 VanDerWaalsContact O-N 3.07Å; I948-E951 PolarHBondContact O-N 3.15Å; I948-L969 HydrophobicContact CD1-CD1 3.71Å; I948-L969 HydrophobicContact CG1-CD1 3.77Å; I948-L969 HydrophobicContact CG1-CD2 4.32Å; I948-L1011 HydrophobicContact CD1-CD2 3.45Å; I948-L1011 VanDerWaalsContact CD1-CD2 3.45Å
949A75.2Confident70.7Confident65 Ų6592.2 Ų92.254%0.53745%0.452SS..THydrogen-bonded Turntrans-62.8-17.1177.900000114.2F945 H947F945-A949 WeakPolarHBondContact O-CB 3.44Å; F945-A949 PolarHBondContact O-N 3.02Å; H947-A949 VanDerWaalsContact C-N 3.3Å; H947-A949 PolarHBondContact O-N 3.27Å
950K71.1Confident68.9Low132 Ų13295.3 Ų95.357%0.57447%0.469SS*.THydrogen-bonded Turntrans-93.6-17.3178.5-76.7176.7-178.4178.30114K946 H947 I948 G952 K953K946-K950 WeakPolarHBondContact O-CG 3.33Å; H947-K950 WeakPolarHBondContact O-CB 3.39Å; H947-K950 PolarHBondContact O-N 2.94Å; I948-K950 PolarHBondContact O-N 3.18Å; I948-K950 VanDerWaalsContact O-N 3.07Å; K950-G952 PolarHBondContact O-N 3.48Å; K950-K953 PolarHBondContact O-N 2.89Å
951E62.2Low67.3Low116 Ų11697.1 Ų97.154%0.54248%0.484SS..THydrogen-bonded Turntrans-59.5-15.9-175.7-74.9-163.3141.100114H947 I948H947-E951 PolarHBondContact O-N 3.13Å; I948-E951 PolarHBondContact O-N 3.15Å
952G55.1Low65.9Low78 Ų78100.8 Ų100.880%0.80450%0.502SS*.THydrogen-bonded Turntrans-93.3-6.6173.500000116.9K950K950-G952 PolarHBondContact O-N 3.48Å
953K52.8Low64.8Low163 Ų163104.4 Ų104.471%0.70952%0.518SS*.SBendtrans-114.4115.9-174.4-67.9-177.6-179.2177.50110.7K950 P955K950-K953 PolarHBondContact O-N 2.89Å; K953-P955 WeakPolarHBondContact O-CD 3.26Å; K953-P955 WeakPolarHBondContact O-CG 3.4Å
954K43.1Very low63.9Low205 Ų205102.5 Ų102.589%0.89151%0.512SS*.  trans-48.8109.4175-80.1-176176.9178.60110.7
955P49.8Very low63.1Low86 Ų86102.2 Ų102.256%0.55851%0.51SS*.  trans-99.5122.1-173.922.5-7.3000111.3K953 M962K953-P955 WeakPolarHBondContact O-CD 3.26Å; K953-P955 WeakPolarHBondContact O-CG 3.4Å; P955-M962 HydrophobicContact CG-SD 4.01Å
956L51.2Low62.5Low172 Ų172104.6 Ų104.690%0.90152%0.522SS*.SBendtrans-81.2-8.1-174.2-90.3121.9000116.1
957R50.3Low62.2Low243 Ų243104.4 Ų104.492%0.91752%0.518SS*.SBendtrans-141.84.7-160.7-73.1-168.7175.2172.2-1.7120.6
958S53.1Low62.2Low69 Ų69103.1 Ų103.148%0.48351%0.512SS..  trans-157.9101.1177.8176.20000113.9A961S958-A961 VanDerWaalsContact OG-CB 3.27Å; S958-A961 WeakPolarHBondContact OG-CB 3.24Å; S958-A961 PolarHBondContact OG-N 2.91Å
959R57.1Low62.1Low207 Ų207101 Ų10178%0.78150%0.502SS*.Hα-helixtrans-77.5-35.8177.2-158.6175.7-174.8-177.20.2112Q963R959-Q963 WeakPolarHBondContact O-CG 3.36Å; R959-Q963 PolarHBondContact O-N 3.38Å
960E54.9Low62.3Low135 Ų135102.8 Ų102.863%0.63150%0.498SS*.Hα-helixtrans-69.4-46.1-176.5-66.4-175.5174.400113.1K852 M962 Q963 A964K852-E960 IonicContact NZ-OE2 3.55Å; E960-M962 VanDerWaalsContact C-N 3.27Å; E960-M962 PolarHBondContact O-N 2.91Å; E960-Q963 PolarHBondContact O-N 2.9Å; E960-A964 PolarHBondContact O-N 3.42Å; E960-A964 VanDerWaalsContact O-N 3.08Å
961A58.7Low62.8Low42 Ų4297.3 Ų97.335%0.34747%0.474SS..Hα-helixtrans-65-35.7-179.600000111.7H947 S958 A964 G965H947-A961 PolarHBondContact CE1-O 3.22Å; S958-A961 VanDerWaalsContact OG-CB 3.27Å; S958-A961 WeakPolarHBondContact OG-CB 3.24Å; S958-A961 PolarHBondContact OG-N 2.91Å; A961-A964 PolarHBondContact O-N 3.14Å; A961-G965 PolarHBondContact O-N 3.26Å
962M60.5Low63.7Low78 Ų7892.4 Ų92.438%0.38445%0.452SS..Hα-helixtrans-66.8-41.5177.3-168171.515300111.4P955 E960 A964 G965 Q966P955-M962 HydrophobicContact CG-SD 4.01Å; E960-M962 VanDerWaalsContact C-N 3.27Å; E960-M962 PolarHBondContact O-N 2.91Å; M962-A964 PolarHBondContact O-N 3.38Å; M962-G965 PolarHBondContact O-N 3.22Å; M962-Q966 WeakPolarHBondContact O-CB 3.38Å; M962-Q966 WeakPolarHBondContact O-CG 3.31Å; M962-Q966 PolarHBondContact O-N 3.25Å
963Q67.2Low64.9Low88 Ų8894.9 Ų94.941%0.41144%0.443SS..Hα-helixtrans-63.4-39.7174.4-75177.6-100112.9R959 E960 R967R959-Q963 WeakPolarHBondContact O-CG 3.36Å; R959-Q963 PolarHBondContact O-N 3.38Å; E960-Q963 PolarHBondContact O-N 2.9Å; Q963-R967 WeakPolarHBondContact O-CG 3.41Å; Q963-R967 PolarHBondContact O-N 2.66Å; Q963-R967 VanDerWaalsContact O-N 3.08Å
964A67.4Low66.2Low5 Ų592.9 Ų92.94%0.04144%0.436CS..Hα-helixtrans-65.8-44.3177.100000112E960 A961 M962 R967 L968E960-A964 PolarHBondContact O-N 3.42Å; E960-A964 VanDerWaalsContact O-N 3.08Å; A961-A964 PolarHBondContact O-N 3.14Å; M962-A964 PolarHBondContact O-N 3.38Å; A964-R967 PolarHBondContact O-N 3.31Å; A964-L968 PolarHBondContact O-N 3.35Å
965G68.9Low68.1Low1 Ų185 Ų851%0.0140%0.403CS..Hα-helixtrans-60.5-44.6174.200000113.1A961 M962 R967 L968 L969A961-G965 PolarHBondContact O-N 3.26Å; M962-G965 PolarHBondContact O-N 3.22Å; G965-R967 VanDerWaalsContact C-N 3.33Å; G965-R967 PolarHBondContact O-N 2.91Å; G965-L968 PolarHBondContact O-N 3.17Å; G965-L969 WeakPolarHBondContact O-CB 3.41Å; G965-L969 PolarHBondContact O-N 2.93Å
966Q72.9Confident69.5Low85 Ų8583.1 Ų83.140%0.39739%0.391SS..Hα-helixtrans-62.9-36.5177.2-78.3-179.4-23.800112.9M962 L969 H970M962-Q966 WeakPolarHBondContact O-CB 3.38Å; M962-Q966 WeakPolarHBondContact O-CG 3.31Å; M962-Q966 PolarHBondContact O-N 3.25Å; Q966-L969 PolarHBondContact O-N 3.35Å; Q966-H970 VanDerWaalsContact O-CB 3.26Å; Q966-H970 WeakPolarHBondContact O-CB 3.34Å; Q966-H970 PolarHBondContact O-N 3.49Å
967R76Confident71Confident125 Ų12580.3 Ų80.347%0.47238%0.377SS..Hα-helixtrans-63.1-47.7175-80.8-175.4-107.9-178.8-4.4112.2N905 Q963 A964 G965 L969 H970 F971N905-R967 VanDerWaalsContact OD1-CZ 3.32Å; N905-R967 PolarHBondContact OD1-NH1 2.92Å; N905-R967 VanDerWaalsContact OD1-NH1 3.08Å; Q963-R967 WeakPolarHBondContact O-CG 3.41Å; Q963-R967 PolarHBondContact O-N 2.66Å; Q963-R967 VanDerWaalsContact O-N 3.08Å; A964-R967 PolarHBondContact O-N 3.31Å; G965-R967 VanDerWaalsContact C-N 3.33Å; G965-R967 PolarHBondContact O-N 2.91Å; R967-L969 VanDerWaalsContact C-N 3.34Å; R967-H970 PolarHBondContact O-N 3.33Å; R967-F971 WeakPolarHBondContact O-CB 3.34Å; R967-F971 PolarHBondContact O-N 3.41Å
968L79Confident72.6Confident1 Ų169.4 Ų69.41%0.00534%0.337CS..Hα-helixtrans-62.6-44.1176.6-173.768.6000110.8M900 T904 L911 Y943 L944 A964 G965 H970 F971 M972M900-L968 HydrophobicContact CE-CD2 3.52Å; T904-L968 HydrophobicContact CG2-CB 3.79Å; T904-L968 HydrophobicContact CG2-CD1 4.37Å; T904-L968 HydrophobicContact CG2-CD2 3.81Å; T904-L968 HydrophobicContact CG2-CG 4.19Å; L911-L968 HydrophobicContact CD1-CD1 4.36Å; L911-L968 HydrophobicContact CD2-CD1 3.86Å; Y943-L968 HydrophobicContact CD1-CD2 3.99Å; L944-L968 HydrophobicContact CD1-CD2 4.12Å; L944-L968 HydrophobicContact CD1-CG 4.43Å; L944-L968 HydrophobicContact CD2-CB 4.12Å; L944-L968 HydrophobicContact CD2-CD2 3.56Å; L944-L968 HydrophobicContact CD2-CG 3.63Å; L944-L968 HydrophobicContact CG-CD2 3.53Å; L944-L968 HydrophobicContact CG-CG 4.08Å; A964-L968 PolarHBondContact O-N 3.35Å; G965-L968 PolarHBondContact O-N 3.17Å; L968-H970 PolarHBondContact O-N 2.89Å; L968-F971 PolarHBondContact O-N 2.94Å; L968-M972 HydrophobicContact CG-CG 4.42Å; L968-M972 WeakPolarHBondContact O-CB 3.42Å; L968-M972 WeakPolarHBondContact O-CG 3.41Å; L968-M972 PolarHBondContact O-N 3.43Å
969L77.7Confident74.1Confident26 Ų2667.1 Ų67.114%0.13632%0.319CS..Hα-helixtrans-58.3-48.3176.3-177.366.5000111.6L944 I948 G965 Q966 R967 F971 M972 Q973L944-L969 HydrophobicContact CD2-CB 4.38Å; I948-L969 HydrophobicContact CD1-CD1 3.71Å; I948-L969 HydrophobicContact CG1-CD1 3.77Å; I948-L969 HydrophobicContact CG1-CD2 4.32Å; G965-L969 WeakPolarHBondContact O-CB 3.41Å; G965-L969 PolarHBondContact O-N 2.93Å; Q966-L969 PolarHBondContact O-N 3.35Å; R967-L969 VanDerWaalsContact C-N 3.34Å; L969-F971 VanDerWaalsContact C-N 3.33Å; L969-F971 PolarHBondContact O-N 2.89Å; L969-M972 PolarHBondContact O-N 2.84Å; L969-Q973 VanDerWaalsContact O-CG 3.31Å; L969-Q973 WeakPolarHBondContact O-CG 3.47Å; L969-Q973 PolarHBondContact O-N 3.1Å
970H79.1Confident75.6Confident102 Ų10259.2 Ų59.247%0.47229%0.292SS..Hα-helixtrans-61.3-42.7177.9-174.665.3000111.8Q966 R967 L968 Q973 Q974Q966-H970 VanDerWaalsContact O-CB 3.26Å; Q966-H970 WeakPolarHBondContact O-CB 3.34Å; Q966-H970 PolarHBondContact O-N 3.49Å; R967-H970 PolarHBondContact O-N 3.33Å; L968-H970 PolarHBondContact O-N 2.89Å; H970-Q973 PolarHBondContact O-N 3.38Å; H970-Q974 PolarHBondContact NE2-NE2 3.43Å; H970-Q974 WeakPolarHBondContact O-CG 3.42Å; H970-Q974 PolarHBondContact O-N 3.26Å
971F82.2Confident77.1Confident16 Ų1657.9 Ų57.97%0.0729%0.285CS..Hα-helixtrans-65.3-39176.8179.1-95.3000112.3P908 L911 L912 L915 R967 L968 L969 Q974 N975P908-F971 HydrophobicContact CB-CD2 4.04Å; P908-F971 HydrophobicContact CB-CE2 3.76Å; P908-F971 WeakPolarHBondContact O-CE2 3.36Å; L911-F971 HydrophobicContact CB-CE1 4.12Å; L911-F971 HydrophobicContact CB-CZ 4.11Å; L911-F971 HydrophobicContact CD2-CB 4.3Å; L911-F971 HydrophobicContact CD2-CD1 3.25Å; L911-F971 HydrophobicContact CD2-CD2 4.3Å; L911-F971 HydrophobicContact CD2-CE1 3.55Å; L911-F971 HydrophobicContact CD2-CG 3.69Å; L911-F971 HydrophobicContact CD2-CZ 4.17Å; L911-F971 HydrophobicContact CG-CD1 3.83Å; L911-F971 HydrophobicContact CG-CE1 3.56Å; L911-F971 HydrophobicContact CG-CZ 4.07Å; L912-F971 HydrophobicContact CB-CZ 4.08Å; L915-F971 HydrophobicContact CD1-CE1 3.7Å; R967-F971 WeakPolarHBondContact O-CB 3.34Å; R967-F971 PolarHBondContact O-N 3.41Å; L968-F971 PolarHBondContact O-N 2.94Å; L969-F971 VanDerWaalsContact C-N 3.33Å; L969-F971 PolarHBondContact O-N 2.89Å; F971-Q974 PolarHBondContact O-N 3.23Å; F971-N975 WeakPolarHBondContact CE2-ND2 3.24Å; F971-N975 PolarHBondContact O-N 2.61Å; F971-N975 VanDerWaalsContact O-N 3.09Å; F971-N975 PolarHBondContact O-ND2 2.87Å
972M80.8Confident78.5Confident14 Ų1455.9 Ų55.97%0.06927%0.269CS..Hα-helixtrans-67-35.8173.7-67.1-68.390.900112.5L915 L944 L968 L969 Q974 N975 L979L915-M972 HydrophobicContact CD1-CE 3.26Å; L915-M972 HydrophobicContact CD1-SD 4.41Å; L944-M972 HydrophobicContact CD1-CG 3.74Å; L944-M972 HydrophobicContact CD1-SD 4.21Å; L944-M972 HydrophobicContact CD2-CG 4.18Å; L968-M972 HydrophobicContact CG-CG 4.42Å; L968-M972 WeakPolarHBondContact O-CB 3.42Å; L968-M972 WeakPolarHBondContact O-CG 3.41Å; L968-M972 PolarHBondContact O-N 3.43Å; L969-M972 PolarHBondContact O-N 2.84Å; M972-Q974 VanDerWaalsContact C-N 3.28Å; M972-Q974 PolarHBondContact O-N 3.42Å; M972-N975 CarbonylContact O-C 3.56Å; M972-N975 PolarHBondContact O-N 2.83Å; M972-L979 HydrophobicContact CB-CD1 4.23Å; M972-L979 HydrophobicContact CG-CD1 4.22Å; M972-L979 HydrophobicContact SD-CD1 3.61Å; M972-L979 HydrophobicContact SD-CD2 3.87Å; M972-L979 HydrophobicContact SD-CG 3.72Å
973Q80Confident79.9Confident130 Ų13052.2 Ų52.261%0.60725%0.251SS*.Hα-helixtrans-66.7-30.9173.5-74.4172.6-12.700112.4L969 H970L969-Q973 VanDerWaalsContact O-CG 3.31Å; L969-Q973 WeakPolarHBondContact O-CG 3.47Å; L969-Q973 PolarHBondContact O-N 3.1Å; H970-Q973 PolarHBondContact O-N 3.38Å
974Q80.8Confident80.8Confident120 Ų12049.3 Ų49.356%0.56124%0.24SC*.Hα-helixtrans-78.9-22.8175.2-73.1-179.7-18.800113.5H970 F971 M972H970-Q974 PolarHBondContact NE2-NE2 3.43Å; H970-Q974 WeakPolarHBondContact O-CG 3.42Å; H970-Q974 PolarHBondContact O-N 3.26Å; F971-Q974 PolarHBondContact O-N 3.23Å; M972-Q974 VanDerWaalsContact C-N 3.28Å; M972-Q974 PolarHBondContact O-N 3.42Å
975N82.1Confident81.6Confident40 Ų4050.2 Ų50.221%0.21425%0.245CC..  trans-127.956.9-177.6-58.1-87.8000111.3F971 M972 D977 V978F971-N975 WeakPolarHBondContact CE2-ND2 3.24Å; F971-N975 PolarHBondContact O-N 2.61Å; F971-N975 VanDerWaalsContact O-N 3.09Å; F971-N975 PolarHBondContact O-ND2 2.87Å; M972-N975 CarbonylContact O-C 3.56Å; M972-N975 PolarHBondContact O-N 2.83Å; N975-D977 PolarHBondContact O-N 3.26Å; N975-V978 HydrophobicContact CB-CG2 4.22Å; N975-V978 PolarHBondContact O-N 2.93Å
976P79.9Confident82.5Confident46 Ų4650.3 Ų50.330%0.29925%0.245SC..Hα-helixtrans-62.6-32-175.727.3-34.6000112V978 L979 Q980P976-V978 PolarHBondContact O-N 3.27Å; P976-V978 VanDerWaalsContact O-N 3.13Å; P976-L979 PolarHBondContact O-N 3.07Å; P976-Q980 VanDerWaalsContact O-CG 3.29Å; P976-Q980 WeakPolarHBondContact O-CG 3.44Å; P976-Q980 PolarHBondContact O-N 3.4Å; P976-Q980 VanDerWaalsContact O-N 3.08Å
977D83.3Confident83.1Confident113 Ų11346.2 Ų46.260%0.60423%0.226SC*.Hα-helixtrans-55.5-33.4-176.9-53-32000112.3N975 Q980 Q981N975-D977 PolarHBondContact O-N 3.26Å; D977-Q980 PolarHBondContact O-N 3.41Å; D977-Q981 WeakPolarHBondContact O-CB 3.46Å; D977-Q981 PolarHBondContact O-N 3.12Å
978V83.1Confident83.3Confident15 Ų1542.4 Ų42.49%0.09122%0.215CC..Hα-helixtrans-69.7-47.3-176.7-177.10000111.3L912 L915 N975 P976 Q980 Q981 M982L912-V978 HydrophobicContact CD1-CG2 4.1Å; L915-V978 HydrophobicContact CB-CG1 3.67Å; L915-V978 HydrophobicContact CD1-CG1 4.36Å; N975-V978 HydrophobicContact CB-CG2 4.22Å; N975-V978 PolarHBondContact O-N 2.93Å; P976-V978 PolarHBondContact O-N 3.27Å; P976-V978 VanDerWaalsContact O-N 3.13Å; V978-Q980 VanDerWaalsContact C-N 3.34Å; V978-Q981 PolarHBondContact O-N 3.23Å; V978-M982 HydrophobicContact CG1-CE 3.87Å; V978-M982 WeakPolarHBondContact O-CG 3.34Å; V978-M982 PolarHBondContact O-N 3.05Å
979L84.3Confident83.2Confident20 Ų2043 Ų4311%0.10522%0.219CC..Hα-helixtrans-68-37.4176.5-68.7-179.3000111.4M972 P976 M982 M983 L1008M972-L979 HydrophobicContact CB-CD1 4.23Å; M972-L979 HydrophobicContact CG-CD1 4.22Å; M972-L979 HydrophobicContact SD-CD1 3.61Å; M972-L979 HydrophobicContact SD-CD2 3.87Å; M972-L979 HydrophobicContact SD-CG 3.72Å; P976-L979 PolarHBondContact O-N 3.07Å; L979-M982 HydrophobicContact CD2-SD 4.45Å; L979-M982 PolarHBondContact O-N 3.01Å; L979-M983 PolarHBondContact O-N 3.35Å; L979-L1008 HydrophobicContact CB-CD2 4.26Å; L979-L1008 HydrophobicContact CD2-CD2 3.86Å
980Q88.2Confident83.2Confident42 Ų4241.8 Ų41.820%0.19621%0.213CC..Hα-helixtrans-62.2-45.5175.1-71.9-178.1-7.900111.2P976 D977 V978 M983 S984 Y1015P976-Q980 VanDerWaalsContact O-CG 3.29Å; P976-Q980 WeakPolarHBondContact O-CG 3.44Å; P976-Q980 PolarHBondContact O-N 3.4Å; P976-Q980 VanDerWaalsContact O-N 3.08Å; D977-Q980 PolarHBondContact O-N 3.41Å; V978-Q980 VanDerWaalsContact C-N 3.34Å; Q980-M983 PolarHBondContact O-N 3.33Å; Q980-S984 WeakPolarHBondContact O-CB 3.32Å; Q980-S984 PolarHBondContact O-N 3.31Å; Q980-Y1015 HydrophobicContact CB-CD1 3.69Å; Q980-Y1015 HydrophobicContact CB-CD2 4.41Å; Q980-Y1015 HydrophobicContact CB-CE1 3.44Å; Q980-Y1015 VanDerWaalsContact CB-CE1 3.44Å; Q980-Y1015 HydrophobicContact CB-CE2 4.13Å; Q980-Y1015 HydrophobicContact CB-CG 4.21Å; Q980-Y1015 HydrophobicContact CG-CD1 3.49Å; Q980-Y1015 VanDerWaalsContact CG-CD1 3.49Å; Q980-Y1015 HydrophobicContact CG-CD2 3.96Å; Q980-Y1015 HydrophobicContact CG-CE1 3.8Å; Q980-Y1015 HydrophobicContact CG-CE2 4.17Å; Q980-Y1015 HydrophobicContact CG-CG 3.61Å; Q980-Y1015 WeakPolarHBondContact O-CE1 3.34Å
981Q86.4Confident83Confident106 Ų10638 Ų3850%0.49520%0.196SC..Hα-helixtrans-60.5-47.4175.3-173-173.519.700111.2S919 D977 V978 M983 S984 V985S919-Q981 PolarHBondContact OG-OE1 3.29Å; D977-Q981 WeakPolarHBondContact O-CB 3.46Å; D977-Q981 PolarHBondContact O-N 3.12Å; V978-Q981 PolarHBondContact O-N 3.23Å; Q981-M983 VanDerWaalsContact C-N 3.35Å; Q981-M983 PolarHBondContact O-N 3.41Å; Q981-S984 WeakPolarHBondContact O-CB 3.39Å; Q981-S984 PolarHBondContact O-N 3.02Å; Q981-V985 HydrophobicContact CG-CG2 4.47Å; Q981-V985 VanDerWaalsContact O-CG2 3.31Å; Q981-V985 WeakPolarHBondContact O-CG2 3.18Å; Q981-V985 PolarHBondContact O-N 3.12Å
982M89.1Confident82.3Confident0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-59.9-43.5176.9-70.1172.5179.100112.1L915 L918 L922 L937 V978 L979 S984 V985 L986 L1008L915-M982 HydrophobicContact CB-CE 3.96Å; L915-M982 HydrophobicContact CD2-CE 4.1Å; L915-M982 WeakPolarHBondContact O-CE 3.42Å; L918-M982 HydrophobicContact CB-CE 3.83Å; L922-M982 HydrophobicContact CD1-CB 4.3Å; L922-M982 HydrophobicContact CD1-CG 4.21Å; L937-M982 HydrophobicContact CD1-SD 3.59Å; L937-M982 VanDerWaalsContact CD1-SD 3.59Å; L937-M982 HydrophobicContact CD2-CB 4.07Å; L937-M982 HydrophobicContact CD2-CG 4.33Å; L937-M982 HydrophobicContact CD2-SD 3.77Å; L937-M982 HydrophobicContact CG-SD 4.35Å; V978-M982 HydrophobicContact CG1-CE 3.87Å; V978-M982 WeakPolarHBondContact O-CG 3.34Å; V978-M982 PolarHBondContact O-N 3.05Å; L979-M982 HydrophobicContact CD2-SD 4.45Å; L979-M982 PolarHBondContact O-N 3.01Å; M982-S984 VanDerWaalsContact C-N 3.34Å; M982-S984 PolarHBondContact O-N 3.47Å; M982-V985 PolarHBondContact O-N 2.87Å; M982-L986 VanDerWaalsContact O-CG 3.26Å; M982-L986 WeakPolarHBondContact O-CG 3.25Å; M982-L986 PolarHBondContact O-N 3.43Å; M982-L1008 HydrophobicContact CB-CD1 4.43Å
983M89.5Confident81.6Confident2 Ų242.1 Ų42.11%0.0122%0.215CC..Hα-helixtrans-63.5-42176.1-176163.659.900111.6L979 Q980 Q981 L986 M987 L1005 L1008 I1009 Y1015 F1016 L1019L979-M983 PolarHBondContact O-N 3.35Å; Q980-M983 PolarHBondContact O-N 3.33Å; Q981-M983 VanDerWaalsContact C-N 3.35Å; Q981-M983 PolarHBondContact O-N 3.41Å; M983-L986 PolarHBondContact O-N 2.92Å; M983-M987 HydrophobicContact CG-CG 4.33Å; M983-M987 VanDerWaalsContact O-CB 3.31Å; M983-M987 WeakPolarHBondContact O-CB 3.24Å; M983-M987 WeakPolarHBondContact O-CG 3.35Å; M983-M987 PolarHBondContact O-N 2.82Å; M983-L1005 HydrophobicContact CG-CD1 3.92Å; M983-L1008 HydrophobicContact CB-CB 4.17Å; M983-L1008 HydrophobicContact CB-CD1 4.1Å; M983-L1008 HydrophobicContact CG-CB 4.3Å; M983-L1008 HydrophobicContact SD-CB 4.07Å; M983-I1009 HydrophobicContact SD-CG1 3.81Å; M983-Y1015 HydrophobicContact CE-CD1 3.32Å; M983-Y1015 HydrophobicContact CE-CE1 4.03Å; M983-Y1015 HydrophobicContact CE-CG 4.26Å; M983-F1016 HydrophobicContact CE-CB 3.88Å; M983-F1016 HydrophobicContact SD-CB 4.07Å; M983-F1016 HydrophobicContact SD-CD2 4.18Å; M983-L1019 HydrophobicContact CG-CD2 4.37Å
984S86.3Confident80.8Confident26 Ų2640.6 Ų40.618%0.18221%0.211CC..Hα-helixtrans-60.3-46.6175-177.20000111.2Q980 Q981 M982 M987 N988Q980-S984 WeakPolarHBondContact O-CB 3.32Å; Q980-S984 PolarHBondContact O-N 3.31Å; Q981-S984 WeakPolarHBondContact O-CB 3.39Å; Q981-S984 PolarHBondContact O-N 3.02Å; M982-S984 VanDerWaalsContact C-N 3.34Å; M982-S984 PolarHBondContact O-N 3.47Å; S984-M987 PolarHBondContact O-N 3.11Å; S984-N988 VanDerWaalsContact O-CB 3.26Å; S984-N988 WeakPolarHBondContact O-CB 3.45Å; S984-N988 PolarHBondContact O-N 3.04Å; S984-N988 PolarHBondContact O-ND2 3.14Å; S984-N988 PolarHBondContact OG-ND2 3.31Å
985V84.4Confident80.2Confident24 Ų2435.2 Ų35.215%0.14519%0.186CC..Hα-helixtrans-58-53.4176.21690000110.7L922 T923 Q981 M982 M987 N988 T989L922-V985 HydrophobicContact CB-CG1 4.02Å; T923-V985 HydrophobicContact CG2-CG1 3.7Å; T923-V985 HydrophobicContact CG2-CG2 4.23Å; Q981-V985 HydrophobicContact CG-CG2 4.47Å; Q981-V985 VanDerWaalsContact O-CG2 3.31Å; Q981-V985 WeakPolarHBondContact O-CG2 3.18Å; Q981-V985 PolarHBondContact O-N 3.12Å; M982-V985 PolarHBondContact O-N 2.87Å; V985-M987 PolarHBondContact O-N 2.95Å; V985-N988 PolarHBondContact O-N 2.95Å; V985-T989 WeakPolarHBondContact O-CB 3.4Å; V985-T989 PolarHBondContact O-N 3.29Å; V985-T989 PolarHBondContact O-OG1 3.28Å; V985-T989 VanDerWaalsContact O-OG1 3.13Å
986L86.5Confident79.6Confident3 Ų343.9 Ų43.92%0.01622%0.216CC..Hα-helixtrans-61.7-43.2-178.8-64169.7000112.2L922 L937 M982 M983 T989 I990 V1001 P1004 L1005 L1008L922-L986 HydrophobicContact CD1-CD2 4.04Å; L922-L986 HydrophobicContact CD1-CG 4.27Å; L922-L986 HydrophobicContact CD2-CD2 3.77Å; L922-L986 HydrophobicContact CG-CD2 4.41Å; L937-L986 HydrophobicContact CD2-CD1 4.21Å; M982-L986 VanDerWaalsContact O-CG 3.26Å; M982-L986 WeakPolarHBondContact O-CG 3.25Å; M982-L986 PolarHBondContact O-N 3.43Å; M983-L986 PolarHBondContact O-N 2.92Å; L986-T989 PolarHBondContact O-N 3.02Å; L986-I990 WeakPolarHBondContact O-CD1 3.22Å; L986-I990 WeakPolarHBondContact O-CG1 3.34Å; L986-I990 PolarHBondContact O-N 3.21Å; L986-V1001 HydrophobicContact CB-CG1 4.13Å; L986-V1001 HydrophobicContact CD2-CG1 3.79Å; L986-V1001 HydrophobicContact CG-CG1 4.5Å; L986-P1004 HydrophobicContact CD1-CB 4.3Å; L986-P1004 HydrophobicContact CD1-CG 3.99Å; L986-L1005 HydrophobicContact CB-CD1 4.42Å; L986-L1005 HydrophobicContact CD1-CB 4.44Å; L986-L1008 HydrophobicContact CD1-CD1 3.59Å
987M85.4Confident79.4Confident0 Ų042.7 Ų42.70%021%0.207CC..Hα-helixtrans-63.8-43.6176.8-79.5-60.6-58.500111.8M983 S984 V985 T989 I990 V991 L1005 F1016 L1019 L1023 F1039 F1065M983-M987 HydrophobicContact CG-CG 4.33Å; M983-M987 VanDerWaalsContact O-CB 3.31Å; M983-M987 WeakPolarHBondContact O-CB 3.24Å; M983-M987 WeakPolarHBondContact O-CG 3.35Å; M983-M987 PolarHBondContact O-N 2.82Å; S984-M987 PolarHBondContact O-N 3.11Å; V985-M987 PolarHBondContact O-N 2.95Å; M987-T989 VanDerWaalsContact C-N 3.33Å; M987-T989 PolarHBondContact O-N 2.75Å; M987-I990 PolarHBondContact O-N 3.47Å; M987-V991 HydrophobicContact CE-CG2 4.1Å; M987-V991 WeakPolarHBondContact O-CB 3.39Å; M987-V991 VanDerWaalsContact O-CG2 3.26Å; M987-V991 WeakPolarHBondContact O-CG2 3.46Å; M987-V991 PolarHBondContact O-N 3.02Å; M987-L1005 HydrophobicContact CG-CD1 3.79Å; M987-L1005 HydrophobicContact CG-CD2 4.48Å; M987-L1005 HydrophobicContact SD-CD1 3.8Å; M987-L1005 HydrophobicContact SD-CD2 3.55Å; M987-L1005 VanDerWaalsContact SD-CD2 3.55Å; M987-L1005 HydrophobicContact SD-CG 4.26Å; M987-F1016 HydrophobicContact CE-CE2 4.27Å; M987-F1016 HydrophobicContact SD-CE2 4.19Å; M987-L1019 HydrophobicContact CB-CD2 3.88Å; M987-L1019 HydrophobicContact CG-CD2 3.79Å; M987-L1023 HydrophobicContact CE-CD1 4.41Å; M987-F1039 HydrophobicContact CE-CE1 3.55Å; M987-F1039 HydrophobicContact CE-CZ 4.03Å; M987-F1065 HydrophobicContact CE-CZ 4.46Å
988N80.9Confident79.2Confident44 Ų4439.2 Ų39.224%0.23519%0.187CC..Hα-helixtrans-63-41.7176-73.5-41.6000111.1S984 V985 I990 V991 F992S984-N988 VanDerWaalsContact O-CB 3.26Å; S984-N988 WeakPolarHBondContact O-CB 3.45Å; S984-N988 PolarHBondContact O-N 3.04Å; S984-N988 PolarHBondContact O-ND2 3.14Å; S984-N988 PolarHBondContact OG-ND2 3.31Å; V985-N988 PolarHBondContact O-N 2.95Å; N988-I990 VanDerWaalsContact C-N 3.35Å; N988-I990 PolarHBondContact O-N 3.39Å; N988-V991 PolarHBondContact O-N 3.18Å; N988-F992 HydrophobicContact CB-CD2 4.11Å; N988-F992 VanDerWaalsContact O-CB 3.25Å; N988-F992 WeakPolarHBondContact O-CB 3.43Å; N988-F992 WeakPolarHBondContact O-CD2 3.08Å; N988-F992 PolarHBondContact O-N 2.9Å; N988-F992 WeakPolarHBondContact OD1-CE2 3.35Å
989T76.4Confident79.2Confident14 Ų1446.1 Ų46.19%0.08621%0.212CC..Hα-helixtrans-61.2-39.4174.8-66.80000112.2V985 L986 M987 E993 C995V985-T989 WeakPolarHBondContact O-CB 3.4Å; V985-T989 PolarHBondContact O-N 3.29Å; V985-T989 PolarHBondContact O-OG1 3.28Å; V985-T989 VanDerWaalsContact O-OG1 3.13Å; L986-T989 PolarHBondContact O-N 3.02Å; M987-T989 VanDerWaalsContact C-N 3.33Å; M987-T989 PolarHBondContact O-N 2.75Å; T989-E993 WeakPolarHBondContact CB-OE2 3.28Å; T989-E993 HydrophobicContact CG2-CB 4.3Å; T989-E993 WeakPolarHBondContact CG2-OE2 3.48Å; T989-E993 CarbonylContact O-C 3.33Å; T989-E993 WeakPolarHBondContact O-CA 3.46Å; T989-E993 VanDerWaalsContact O-CB 3.25Å; T989-E993 WeakPolarHBondContact O-CB 3.03Å; T989-E993 PolarHBondContact O-N 3.23Å; T989-E993 PolarHBondContact OG1-OE2 3.34Å; T989-C995 HydrophobicContact CG2-CB 4.31Å
990I79.3Confident79.3Confident1 Ų146 Ų461%0.00521%0.213CC..Hα-helixtrans-72.6-46.4177.7-71.6153.2000112.5L986 M987 N988 V1001 L1005 L1062 F1065L986-I990 WeakPolarHBondContact O-CD1 3.22Å; L986-I990 WeakPolarHBondContact O-CG1 3.34Å; L986-I990 PolarHBondContact O-N 3.21Å; M987-I990 PolarHBondContact O-N 3.47Å; N988-I990 VanDerWaalsContact C-N 3.35Å; N988-I990 PolarHBondContact O-N 3.39Å; I990-V1001 HydrophobicContact CD1-CG1 3.49Å; I990-V1001 VanDerWaalsContact CD1-CG1 3.49Å; I990-V1001 HydrophobicContact CG1-CG1 3.7Å; I990-L1005 HydrophobicContact CD1-CD2 3.3Å; I990-L1062 HydrophobicContact CD1-CD1 4Å; I990-L1062 HydrophobicContact CD1-CD2 3.79Å; I990-L1062 HydrophobicContact CD1-CG 4.37Å; I990-L1062 HydrophobicContact CG1-CD2 4.26Å; I990-L1062 HydrophobicContact CG2-CD1 3.94Å; I990-L1062 HydrophobicContact CG2-CG 4.2Å; I990-F1065 HydrophobicContact CG2-CD1 4.28Å; I990-F1065 HydrophobicContact CG2-CE1 4.29Å
991V73.7Confident79.2Confident22 Ų2244 Ų4413%0.13320%0.204CC..Hα-helixtrans-72.6-38.9-173.2171.70000110.7M987 N988 F1065 V1069M987-V991 HydrophobicContact CE-CG2 4.1Å; M987-V991 WeakPolarHBondContact O-CB 3.39Å; M987-V991 VanDerWaalsContact O-CG2 3.26Å; M987-V991 WeakPolarHBondContact O-CG2 3.46Å; M987-V991 PolarHBondContact O-N 3.02Å; N988-V991 PolarHBondContact O-N 3.18Å; V991-F1065 HydrophobicContact CG2-CE1 3.87Å; V991-F1065 HydrophobicContact CG2-CZ 4.1Å; V991-V1069 HydrophobicContact CG1-CG1 4.07Å
992F68.4Low79.3Confident65 Ų6539 Ų3929%0.28518%0.18SC..Hα-helixtrans-108.7-40.7-169.6-56.6-65.2000111.6A171 R174 N988 L1023A171-F992 HydrophobicContact CB-CB 3.26Å; A171-F992 WeakPolarHBondContact CB-O 3.44Å; R174-F992 PolarHBondContact NH2-O 2.65Å; N988-F992 HydrophobicContact CB-CD2 4.11Å; N988-F992 VanDerWaalsContact O-CB 3.25Å; N988-F992 WeakPolarHBondContact O-CB 3.43Å; N988-F992 WeakPolarHBondContact O-CD2 3.08Å; N988-F992 PolarHBondContact O-N 2.9Å; N988-F992 WeakPolarHBondContact OD1-CE2 3.35Å; F992-L1023 HydrophobicContact CE2-CD2 3.71Å; F992-L1023 HydrophobicContact CZ-CD2 3.83Å
993E66.1Low79.4Confident52 Ų5240.2 Ų40.224%0.24319%0.185CC..SBendtrans-90.1164.1-169.4-55.5-178.7154.700114.6A171 T989 C995 R1066A171-E993 HydrophobicContact CB-CG 4.12Å; T989-E993 WeakPolarHBondContact CB-OE2 3.28Å; T989-E993 HydrophobicContact CG2-CB 4.3Å; T989-E993 WeakPolarHBondContact CG2-OE2 3.48Å; T989-E993 CarbonylContact O-C 3.33Å; T989-E993 WeakPolarHBondContact O-CA 3.46Å; T989-E993 VanDerWaalsContact O-CB 3.25Å; T989-E993 WeakPolarHBondContact O-CB 3.03Å; T989-E993 PolarHBondContact O-N 3.23Å; T989-E993 PolarHBondContact OG1-OE2 3.34Å; E993-C995 VanDerWaalsContact C-N 3.27Å; E993-C995 PolarHBondContact O-N 3.29Å; E993-R1066 PolarHBondContact O-NH2 3.21Å
994D63.4Low79.6Confident98 Ų9840.1 Ų40.152%0.52418%0.184SC..  trans-82.377172.6-130.4-37.3000110.2R174 R996 R1066R174-D994 IonicContact CZ-OD2 3.51Å; R174-D994 IonicContact NH1-OD2 2.66Å; R174-D994 PolarHBondContact NH1-OD2 3.3Å; D994-R996 PolarHBondContact O-N 3.04Å; D994-R1066 IonicContact OD1-CZ 2.76Å; D994-R1066 IonicContact OD1-NH2 3.59Å; D994-R1066 PolarHBondContact OD1-NH2 2.73Å
995C67.7Low79.9Confident7 Ų738.9 Ų38.95%0.04718%0.175CC..  trans-68.394.7-175.7-172.40000110.9T989 E993 N997 Q998 R1066T989-C995 HydrophobicContact CG2-CB 4.31Å; E993-C995 VanDerWaalsContact C-N 3.27Å; E993-C995 PolarHBondContact O-N 3.29Å; C995-N997 VanDerWaalsContact C-N 3.3Å; C995-N997 PolarHBondContact SG-OD1 3.02Å; C995-Q998 VanDerWaalsContact SG-CA 3.53Å; C995-Q998 PolarHBondContact SG-N 3.47Å; C995-R1066 PolarHBondContact O-NH1 2.98Å; C995-R1066 VanDerWaalsContact O-NH1 3.08Å
996R69Low80.3Confident221 Ų22137.7 Ų37.783%0.83417%0.168SC*.THydrogen-bonded Turntrans-68.9-27.6176-66.5-173.4-178.3-173.71.9112.4T927 D994T927-R996 HydrophobicContact CG2-CB 4.45Å; D994-R996 PolarHBondContact O-N 3.04Å
997N76Confident80.5Confident22 Ų2237.6 Ų37.612%0.11817%0.168CC..THydrogen-bonded Turntrans-106.139.3-179.363.8-18.3000112.4S930 S931 C995 W999 S1000 V1001S930-N997 PolarHBondContact OG-ND2 2.97Å; S931-N997 WeakPolarHBondContact OG-CB 3.41Å; S931-N997 PolarHBondContact OG-ND2 3.08Å; C995-N997 VanDerWaalsContact C-N 3.3Å; C995-N997 PolarHBondContact SG-OD1 3.02Å; N997-W999 PolarHBondContact O-N 3.46Å; N997-W999 VanDerWaalsContact O-N 3.08Å; N997-S1000 WeakPolarHBondContact O-CA 3.16Å; N997-S1000 WeakPolarHBondContact O-CB 3.07Å; N997-S1000 PolarHBondContact O-N 3.1Å; N997-V1001 PolarHBondContact O-N 3.43Å; N997-V1001 VanDerWaalsContact O-N 3.12Å
998Q79.9Confident80.8Confident39 Ų3937.7 Ų37.718%0.18217%0.168CC..Hα-helixtrans-49.8-39.9-177.2-173.6-168.1-30.700113.5C995 S1000 V1001 S1002 L1062 S1063C995-Q998 VanDerWaalsContact SG-CA 3.53Å; C995-Q998 PolarHBondContact SG-N 3.47Å; Q998-S1000 VanDerWaalsContact C-N 3.3Å; Q998-S1000 PolarHBondContact O-N 2.86Å; Q998-V1001 PolarHBondContact O-N 3.38Å; Q998-S1002 WeakPolarHBondContact O-CB 3.42Å; Q998-S1002 PolarHBondContact O-N 2.96Å; Q998-L1062 HydrophobicContact CG-CD2 4.19Å; Q998-S1063 PolarHBondContact NE2-OG 2.91Å
999W82.5Confident81.3Confident161 Ų16135.8 Ų35.861%0.6116%0.158SC*.Hα-helixtrans-63.5-34.4177.9-172.694.8000112.8N997 S1002 R1003N997-W999 PolarHBondContact O-N 3.46Å; N997-W999 VanDerWaalsContact O-N 3.08Å; W999-S1002 PolarHBondContact O-OG 2.95Å; W999-S1002 VanDerWaalsContact O-OG 3.1Å; W999-R1003 VanDerWaalsContact O-CG 3.31Å; W999-R1003 WeakPolarHBondContact O-CG 3.22Å
1000S86.1Confident81.9Confident17 Ų1735.8 Ų35.812%0.11916%0.157CC..Hα-helixtrans-72.6-44.4175-59.40000110.9S931 C934 N997 Q998 S1002 P1004S931-S1000 PolarHBondContact OG-OG 3.18Å; C934-S1000 WeakPolarHBondContact CB-O 3.48Å; N997-S1000 WeakPolarHBondContact O-CA 3.16Å; N997-S1000 WeakPolarHBondContact O-CB 3.07Å; N997-S1000 PolarHBondContact O-N 3.1Å; Q998-S1000 VanDerWaalsContact C-N 3.3Å; Q998-S1000 PolarHBondContact O-N 2.86Å; S1000-S1002 PolarHBondContact O-N 3.14Å; S1000-P1004 WeakPolarHBondContact O-CD 3.43Å
1001V86.6Confident82.2Confident1 Ų138 Ų381%0.00617%0.169CC..Hα-helixtrans-67.1-35.2-177.4176.30000112.5L986 I990 N997 Q998 R1003 P1004 L1005L986-V1001 HydrophobicContact CB-CG1 4.13Å; L986-V1001 HydrophobicContact CD2-CG1 3.79Å; L986-V1001 HydrophobicContact CG-CG1 4.5Å; I990-V1001 HydrophobicContact CD1-CG1 3.49Å; I990-V1001 VanDerWaalsContact CD1-CG1 3.49Å; I990-V1001 HydrophobicContact CG1-CG1 3.7Å; N997-V1001 PolarHBondContact O-N 3.43Å; N997-V1001 VanDerWaalsContact O-N 3.12Å; Q998-V1001 PolarHBondContact O-N 3.38Å; V1001-R1003 VanDerWaalsContact C-N 3.29Å; V1001-R1003 PolarHBondContact O-N 3.06Å; V1001-P1004 WeakPolarHBondContact O-CD 3.39Å; V1001-P1004 WeakPolarHBondContact O-CG 3.26Å; V1001-L1005 WeakPolarHBondContact O-CB 3.48Å; V1001-L1005 PolarHBondContact O-N 2.64Å
1002S89.1Confident82.8Confident0 Ų038.9 Ų38.90%017%0.173CC..Hα-helixtrans-63.7-32.9-178.3690000113.4Q998 W999 S1000 L1006 F1058 T1059 L1062Q998-S1002 WeakPolarHBondContact O-CB 3.42Å; Q998-S1002 PolarHBondContact O-N 2.96Å; W999-S1002 PolarHBondContact O-OG 2.95Å; W999-S1002 VanDerWaalsContact O-OG 3.1Å; S1000-S1002 PolarHBondContact O-N 3.14Å; S1002-L1006 PolarHBondContact O-N 3.07Å; S1002-F1058 WeakPolarHBondContact O-CE1 3.45Å; S1002-T1059 WeakPolarHBondContact CB-OG1 3.39Å; S1002-T1059 PolarHBondContact OG-OG1 2.98Å; S1002-L1062 VanDerWaalsContact CB-CD2 3.49Å
1003R90.2Very high83.7Confident25 Ų2540 Ų409%0.09418%0.179CC..Hα-helixtrans-64.3-58.4-174.3-60.9-76.8177.2179.7-11.5112.7D938 W999 V1001 L1005 R1055 D1056D938-R1003 HydrophobicContact CB-CB 4.13Å; W999-R1003 VanDerWaalsContact O-CG 3.31Å; W999-R1003 WeakPolarHBondContact O-CG 3.22Å; V1001-R1003 VanDerWaalsContact C-N 3.29Å; V1001-R1003 PolarHBondContact O-N 3.06Å; R1003-L1005 VanDerWaalsContact C-N 3.31Å; R1003-L1005 PolarHBondContact O-N 2.78Å; R1003-R1055 VanDerWaalsContact NH1-CB 3.26Å; R1003-D1056 IonicContact CZ-OD1 3.56Å; R1003-D1056 IonicContact NH1-OD1 3.42Å; R1003-D1056 PolarHBondContact NH1-OD1 3.05Å; R1003-D1056 VanDerWaalsContact NH1-OD1 3.11Å; R1003-D1056 IonicContact NH2-OD1 2.66Å; R1003-D1056 PolarHBondContact NH2-OD1 3.42Å
1004P93.1Very high84.7Confident0 Ų045 Ų450%020%0.2CC..Hα-helixtrans-67.2-33.6177.127.8-35.2000112C934 L937 D938 L986 S1000 V1001 L1006 G1007 L1008C934-P1004 HydrophobicContact CB-CG 3.98Å; C934-P1004 WeakPolarHBondContact O-CG 3.37Å; L937-P1004 HydrophobicContact CB-CB 4Å; L937-P1004 HydrophobicContact CD2-CB 4Å; L937-P1004 HydrophobicContact CG-CB 3.82Å; D938-P1004 HydrophobicContact CB-CB 4.16Å; L986-P1004 HydrophobicContact CD1-CB 4.3Å; L986-P1004 HydrophobicContact CD1-CG 3.99Å; S1000-P1004 WeakPolarHBondContact O-CD 3.43Å; V1001-P1004 WeakPolarHBondContact O-CD 3.39Å; V1001-P1004 WeakPolarHBondContact O-CG 3.26Å; P1004-L1006 PolarHBondContact O-N 3.06Å; P1004-G1007 PolarHBondContact O-N 3.07Å; P1004-G1007 VanDerWaalsContact O-N 3.15Å; P1004-L1008 WeakPolarHBondContact O-CG 3.48Å; P1004-L1008 PolarHBondContact O-N 2.82Å
1005L92.9Very high85.9Confident0 Ų042.6 Ų42.60%018%0.184CC..Hα-helixtrans-59.5-45.9-177.2177.362000111.9M983 L986 M987 I990 V1001 R1003 G1007 L1008 I1009 F1058 L1062M983-L1005 HydrophobicContact CG-CD1 3.92Å; L986-L1005 HydrophobicContact CB-CD1 4.42Å; L986-L1005 HydrophobicContact CD1-CB 4.44Å; M987-L1005 HydrophobicContact CG-CD1 3.79Å; M987-L1005 HydrophobicContact CG-CD2 4.48Å; M987-L1005 HydrophobicContact SD-CD1 3.8Å; M987-L1005 HydrophobicContact SD-CD2 3.55Å; M987-L1005 VanDerWaalsContact SD-CD2 3.55Å; M987-L1005 HydrophobicContact SD-CG 4.26Å; I990-L1005 HydrophobicContact CD1-CD2 3.3Å; V1001-L1005 WeakPolarHBondContact O-CB 3.48Å; V1001-L1005 PolarHBondContact O-N 2.64Å; R1003-L1005 VanDerWaalsContact C-N 3.31Å; R1003-L1005 PolarHBondContact O-N 2.78Å; L1005-G1007 VanDerWaalsContact C-N 3.29Å; L1005-G1007 PolarHBondContact O-N 3.15Å; L1005-L1008 PolarHBondContact O-N 3.44Å; L1005-I1009 HydrophobicContact CD1-CD1 3.96Å; L1005-I1009 HydrophobicContact CD1-CG1 4.04Å; L1005-I1009 HydrophobicContact CD2-CD1 4.42Å; L1005-I1009 HydrophobicContact CG-CD1 3.81Å; L1005-I1009 HydrophobicContact CG-CG1 4.33Å; L1005-I1009 VanDerWaalsContact O-CG1 3.26Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.32Å; L1005-I1009 PolarHBondContact O-N 3.04Å; L1005-F1058 HydrophobicContact CB-CE1 4.33Å; L1005-F1058 HydrophobicContact CD2-CE1 4.17Å; L1005-F1058 HydrophobicContact CD2-CZ 3.93Å; L1005-F1058 HydrophobicContact CG-CE1 4.24Å; L1005-F1058 HydrophobicContact CG-CZ 4.04Å; L1005-L1062 HydrophobicContact CD2-CD1 4.23Å
1006L93Very high86.9Confident0 Ų042.8 Ų42.80%018%0.184CC..Hα-helixtrans-55-48.3176.3175.260.2000111S1002 P1004 L1008 I1009 L1010 V1046 L1050 R1055 F1058S1002-L1006 PolarHBondContact O-N 3.07Å; P1004-L1006 PolarHBondContact O-N 3.06Å; L1006-L1008 PolarHBondContact O-N 3.32Å; L1006-I1009 PolarHBondContact O-N 2.92Å; L1006-L1010 HydrophobicContact CD1-CD1 4.14Å; L1006-L1010 HydrophobicContact CD1-CG 4.13Å; L1006-L1010 HydrophobicContact CG-CD1 4.23Å; L1006-L1010 WeakPolarHBondContact O-CG 3.36Å; L1006-L1010 PolarHBondContact O-N 3.46Å; L1006-V1046 HydrophobicContact CD1-CG1 3.55Å; L1006-L1050 HydrophobicContact CD2-CD2 4.06Å; L1006-L1050 HydrophobicContact CG-CD2 3.95Å; L1006-R1055 HydrophobicContact CD2-CB 4.47Å; L1006-R1055 HydrophobicContact CD2-CG 3.88Å; L1006-F1058 HydrophobicContact CB-CD1 3.75Å; L1006-F1058 HydrophobicContact CB-CE1 4Å; L1006-F1058 HydrophobicContact CB-CG 4.05Å; L1006-F1058 HydrophobicContact CB-CZ 4.49Å; L1006-F1058 HydrophobicContact CD1-CB 4.3Å; L1006-F1058 HydrophobicContact CD1-CD2 3.93Å; L1006-F1058 HydrophobicContact CD1-CE2 4.39Å; L1006-F1058 HydrophobicContact CD1-CG 4.01Å; L1006-F1058 HydrophobicContact CD2-CB 4.06Å; L1006-F1058 HydrophobicContact CD2-CG 4.38Å; L1006-F1058 HydrophobicContact CG-CG 4.36Å
1007G91.1Very high87.9Confident0 Ų034.8 Ų34.80%016%0.162CC..Hα-helixtrans-66.4-36-179.300000113.6P1004 L1005 L1010 L1011P1004-G1007 PolarHBondContact O-N 3.07Å; P1004-G1007 VanDerWaalsContact O-N 3.15Å; L1005-G1007 VanDerWaalsContact C-N 3.29Å; L1005-G1007 PolarHBondContact O-N 3.15Å; G1007-L1010 PolarHBondContact O-N 2.95Å; G1007-L1011 WeakPolarHBondContact O-CB 3.46Å; G1007-L1011 VanDerWaalsContact O-CG 3.27Å; G1007-L1011 WeakPolarHBondContact O-CG 3.41Å; G1007-L1011 PolarHBondContact O-N 2.78Å
1008L91.6Very high88.5Confident3 Ų338.4 Ų38.42%0.01618%0.178CC..Hα-helixtrans-65.1-40.8173.9-69.8168000111.9L937 V941 L979 M982 M983 L986 P1004 L1005 L1006 L1011 N1012L937-L1008 HydrophobicContact CD2-CD1 4.01Å; V941-L1008 HydrophobicContact CG2-CD2 3.82Å; V941-L1008 HydrophobicContact CG2-CG 4.18Å; L979-L1008 HydrophobicContact CB-CD2 4.26Å; L979-L1008 HydrophobicContact CD2-CD2 3.86Å; M982-L1008 HydrophobicContact CB-CD1 4.43Å; M983-L1008 HydrophobicContact CB-CB 4.17Å; M983-L1008 HydrophobicContact CB-CD1 4.1Å; M983-L1008 HydrophobicContact CG-CB 4.3Å; M983-L1008 HydrophobicContact SD-CB 4.07Å; L986-L1008 HydrophobicContact CD1-CD1 3.59Å; P1004-L1008 WeakPolarHBondContact O-CG 3.48Å; P1004-L1008 PolarHBondContact O-N 2.82Å; L1005-L1008 PolarHBondContact O-N 3.44Å; L1006-L1008 PolarHBondContact O-N 3.32Å; L1008-L1011 PolarHBondContact O-N 2.86Å; L1008-N1012 PolarHBondContact O-N 3.38Å
1009I90.9Very high88.7Confident3 Ų337.2 Ų37.22%0.01517%0.173CC..Hα-helixtrans-60.1-50.2175.8-69.4169.5000110M983 L1005 L1006 L1011 N1012 E1013 F1016 M1043 F1058M983-I1009 HydrophobicContact SD-CG1 3.81Å; L1005-I1009 HydrophobicContact CD1-CD1 3.96Å; L1005-I1009 HydrophobicContact CD1-CG1 4.04Å; L1005-I1009 HydrophobicContact CD2-CD1 4.42Å; L1005-I1009 HydrophobicContact CG-CD1 3.81Å; L1005-I1009 HydrophobicContact CG-CG1 4.33Å; L1005-I1009 VanDerWaalsContact O-CG1 3.26Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.32Å; L1005-I1009 PolarHBondContact O-N 3.04Å; L1006-I1009 PolarHBondContact O-N 2.92Å; I1009-L1011 VanDerWaalsContact C-N 3.31Å; I1009-L1011 PolarHBondContact O-N 3.46Å; I1009-N1012 CarbonylContact O-C 3.48Å; I1009-N1012 PolarHBondContact O-N 2.93Å; I1009-E1013 WeakPolarHBondContact O-CA 3.5Å; I1009-E1013 WeakPolarHBondContact O-CG 3.43Å; I1009-E1013 PolarHBondContact O-N 3.28Å; I1009-E1013 VanDerWaalsContact O-N 3.07Å; I1009-F1016 HydrophobicContact CB-CG 4.44Å; I1009-F1016 HydrophobicContact CD1-CD2 4.02Å; I1009-F1016 HydrophobicContact CD1-CE2 3.73Å; I1009-F1016 HydrophobicContact CD1-CZ 4.03Å; I1009-F1016 HydrophobicContact CG1-CB 4.47Å; I1009-F1016 HydrophobicContact CG1-CD1 4.49Å; I1009-F1016 HydrophobicContact CG1-CD2 3.66Å; I1009-F1016 HydrophobicContact CG1-CE2 3.93Å; I1009-F1016 HydrophobicContact CG1-CG 3.96Å; I1009-F1016 HydrophobicContact CG1-CZ 4.46Å; I1009-F1016 HydrophobicContact CG2-CB 4.34Å; I1009-F1016 HydrophobicContact CG2-CD1 3.79Å; I1009-F1016 HydrophobicContact CG2-CD2 4.45Å; I1009-F1016 HydrophobicContact CG2-CE1 4.16Å; I1009-F1016 HydrophobicContact CG2-CG 3.93Å; I1009-M1043 HydrophobicContact CD1-SD 4.44Å; I1009-M1043 HydrophobicContact CG2-CE 3.93Å; I1009-M1043 HydrophobicContact CG2-SD 4.26Å; I1009-F1058 HydrophobicContact CD1-CE2 4.03Å; I1009-F1058 HydrophobicContact CD1-CZ 3.82Å
1010L88.3Confident88.9Confident14 Ų1433.8 Ų33.87%0.07316%0.16CC..Hα-helixtrans-66.5-31.6-178.8-63-179.9000112.8F945 L1006 G1007 L1050F945-L1010 HydrophobicContact CD2-CB 4.31Å; F945-L1010 HydrophobicContact CE2-CB 3.84Å; F945-L1010 HydrophobicContact CE2-CD1 4.13Å; F945-L1010 HydrophobicContact CZ-CD1 4.31Å; L1006-L1010 HydrophobicContact CD1-CD1 4.14Å; L1006-L1010 HydrophobicContact CD1-CG 4.13Å; L1006-L1010 HydrophobicContact CG-CD1 4.23Å; L1006-L1010 WeakPolarHBondContact O-CG 3.36Å; L1006-L1010 PolarHBondContact O-N 3.46Å; G1007-L1010 PolarHBondContact O-N 2.95Å; L1010-L1050 HydrophobicContact CD1-CD2 3.83Å; L1010-L1050 HydrophobicContact CD1-CG 4.36Å
1011L86.1Confident89Confident48 Ų4835 Ų3525%0.25117%0.171SC..Hα-helixtrans-76.8-25.2176.3-73.5-178.9000113.2V941 L944 F945 I948 G1007 L1008 I1009V941-L1011 HydrophobicContact CB-CD1 4.37Å; V941-L1011 HydrophobicContact CG1-CD1 3.74Å; V941-L1011 HydrophobicContact CG1-CG 4.44Å; V941-L1011 HydrophobicContact CG2-CD1 4.4Å; L944-L1011 HydrophobicContact CB-CD1 4.09Å; L944-L1011 HydrophobicContact CD1-CD1 4.31Å; F945-L1011 HydrophobicContact CB-CD2 4.29Å; F945-L1011 HydrophobicContact CD2-CD2 3.97Å; F945-L1011 HydrophobicContact CD2-CG 4.45Å; I948-L1011 HydrophobicContact CD1-CD2 3.45Å; I948-L1011 VanDerWaalsContact CD1-CD2 3.45Å; G1007-L1011 WeakPolarHBondContact O-CB 3.46Å; G1007-L1011 VanDerWaalsContact O-CG 3.27Å; G1007-L1011 WeakPolarHBondContact O-CG 3.41Å; G1007-L1011 PolarHBondContact O-N 2.78Å; L1008-L1011 PolarHBondContact O-N 2.86Å; I1009-L1011 VanDerWaalsContact C-N 3.31Å; I1009-L1011 PolarHBondContact O-N 3.46Å
1012N87.7Confident88.8Confident40 Ų4038.5 Ų38.521%0.21420%0.195CC..  trans-140.653.9-172.4-150-26000112.7L1008 I1009 K1014 Y1015 F1016L1008-N1012 PolarHBondContact O-N 3.38Å; I1009-N1012 CarbonylContact O-C 3.48Å; I1009-N1012 PolarHBondContact O-N 2.93Å; N1012-K1014 PolarHBondContact O-N 3.27Å; N1012-Y1015 PolarHBondContact O-N 3.22Å; N1012-Y1015 VanDerWaalsContact O-N 3.11Å; N1012-Y1015 VanDerWaalsContact OD1-CB 3.24Å; N1012-Y1015 WeakPolarHBondContact OD1-CB 3.45Å; N1012-Y1015 PolarHBondContact OD1-N 3.36Å; N1012-F1016 PolarHBondContact O-N 3.36Å
1013E85.8Confident88.3Confident90 Ų9039.4 Ų39.442%0.42120%0.2SC..Hα-helixtrans-56.8-34.8-175.8-62.5-171.7154.100113.7I1009 F1016 S1017 Q1048I1009-E1013 WeakPolarHBondContact O-CA 3.5Å; I1009-E1013 WeakPolarHBondContact O-CG 3.43Å; I1009-E1013 PolarHBondContact O-N 3.28Å; I1009-E1013 VanDerWaalsContact O-N 3.07Å; E1013-F1016 PolarHBondContact O-N 3.16Å; E1013-S1017 WeakPolarHBondContact O-CB 3.39Å; E1013-S1017 PolarHBondContact O-N 3.49Å; E1013-S1017 PolarHBondContact O-OG 3.29Å; E1013-Q1048 PolarHBondContact OE1-NE2 3.31Å
1014K87.5Confident87.9Confident156 Ų15639.2 Ų39.268%0.67820%0.201SC*.Hα-helixtrans-62.5-51.1177.3-173.4-175.6175.2-169.50110.4N1012 F1016 S1017 E1018N1012-K1014 PolarHBondContact O-N 3.27Å; K1014-F1016 VanDerWaalsContact C-N 3.35Å; K1014-F1016 PolarHBondContact O-N 3.04Å; K1014-S1017 WeakPolarHBondContact O-CB 3.48Å; K1014-S1017 PolarHBondContact O-N 2.79Å; K1014-S1017 VanDerWaalsContact O-N 3.17Å; K1014-E1018 VanDerWaalsContact CE-OE1 3.27Å; K1014-E1018 WeakPolarHBondContact CE-OE1 3.38Å; K1014-E1018 WeakPolarHBondContact O-CG 3.46Å; K1014-E1018 PolarHBondContact O-N 3.13Å
1015Y88Confident87.4Confident47 Ų4744.4 Ų44.418%0.18423%0.229CC..Hα-helixtrans-68.6-34.3178.6-175.8-107.3000112Q980 M983 N1012 S1017 E1018 L1019Q980-Y1015 HydrophobicContact CB-CD1 3.69Å; Q980-Y1015 HydrophobicContact CB-CD2 4.41Å; Q980-Y1015 HydrophobicContact CB-CE1 3.44Å; Q980-Y1015 VanDerWaalsContact CB-CE1 3.44Å; Q980-Y1015 HydrophobicContact CB-CE2 4.13Å; Q980-Y1015 HydrophobicContact CB-CG 4.21Å; Q980-Y1015 HydrophobicContact CG-CD1 3.49Å; Q980-Y1015 VanDerWaalsContact CG-CD1 3.49Å; Q980-Y1015 HydrophobicContact CG-CD2 3.96Å; Q980-Y1015 HydrophobicContact CG-CE1 3.8Å; Q980-Y1015 HydrophobicContact CG-CE2 4.17Å; Q980-Y1015 HydrophobicContact CG-CG 3.61Å; Q980-Y1015 WeakPolarHBondContact O-CE1 3.34Å; M983-Y1015 HydrophobicContact CE-CD1 3.32Å; M983-Y1015 HydrophobicContact CE-CE1 4.03Å; M983-Y1015 HydrophobicContact CE-CG 4.26Å; N1012-Y1015 PolarHBondContact O-N 3.22Å; N1012-Y1015 VanDerWaalsContact O-N 3.11Å; N1012-Y1015 VanDerWaalsContact OD1-CB 3.24Å; N1012-Y1015 WeakPolarHBondContact OD1-CB 3.45Å; N1012-Y1015 PolarHBondContact OD1-N 3.36Å; Y1015-S1017 VanDerWaalsContact C-N 3.29Å; Y1015-S1017 PolarHBondContact O-N 3.4Å; Y1015-E1018 PolarHBondContact O-N 3.42Å; Y1015-L1019 VanDerWaalsContact O-CB 3.28Å; Y1015-L1019 WeakPolarHBondContact O-CB 3.36Å; Y1015-L1019 PolarHBondContact O-N 3.23Å
1016F89.8Confident86.6Confident12 Ų1248 Ų485%0.05325%0.253CS..Hα-helixtrans-60.8-40.3171.1176.4-111.7000111.7M983 M987 I1009 N1012 E1013 K1014 L1019 R1020 F1039 L1042 M1043M983-F1016 HydrophobicContact CE-CB 3.88Å; M983-F1016 HydrophobicContact SD-CB 4.07Å; M983-F1016 HydrophobicContact SD-CD2 4.18Å; M987-F1016 HydrophobicContact CE-CE2 4.27Å; M987-F1016 HydrophobicContact SD-CE2 4.19Å; I1009-F1016 HydrophobicContact CB-CG 4.44Å; I1009-F1016 HydrophobicContact CD1-CD2 4.02Å; I1009-F1016 HydrophobicContact CD1-CE2 3.73Å; I1009-F1016 HydrophobicContact CD1-CZ 4.03Å; I1009-F1016 HydrophobicContact CG1-CB 4.47Å; I1009-F1016 HydrophobicContact CG1-CD1 4.49Å; I1009-F1016 HydrophobicContact CG1-CD2 3.66Å; I1009-F1016 HydrophobicContact CG1-CE2 3.93Å; I1009-F1016 HydrophobicContact CG1-CG 3.96Å; I1009-F1016 HydrophobicContact CG1-CZ 4.46Å; I1009-F1016 HydrophobicContact CG2-CB 4.34Å; I1009-F1016 HydrophobicContact CG2-CD1 3.79Å; I1009-F1016 HydrophobicContact CG2-CD2 4.45Å; I1009-F1016 HydrophobicContact CG2-CE1 4.16Å; I1009-F1016 HydrophobicContact CG2-CG 3.93Å; N1012-F1016 PolarHBondContact O-N 3.36Å; E1013-F1016 PolarHBondContact O-N 3.16Å; K1014-F1016 VanDerWaalsContact C-N 3.35Å; K1014-F1016 PolarHBondContact O-N 3.04Å; F1016-L1019 PolarHBondContact O-N 3.02Å; F1016-R1020 VanDerWaalsContact O-CB 3.24Å; F1016-R1020 WeakPolarHBondContact O-CB 3.5Å; F1016-R1020 PolarHBondContact O-N 3.28Å; F1016-F1039 HydrophobicContact CE2-CE1 4.49Å; F1016-F1039 HydrophobicContact CZ-CD1 4.17Å; F1016-F1039 HydrophobicContact CZ-CE1 4.42Å; F1016-L1042 HydrophobicContact CZ-CD2 4.43Å; F1016-M1043 HydrophobicContact CE1-CG 4.41Å
1017S88.7Confident85.8Confident52 Ų5249.2 Ų49.236%0.36426%0.259SS..Hα-helixtrans-65-40.3176.4-61.20000112.1E1013 K1014 Y1015 A1021E1013-S1017 WeakPolarHBondContact O-CB 3.39Å; E1013-S1017 PolarHBondContact O-N 3.49Å; E1013-S1017 PolarHBondContact O-OG 3.29Å; K1014-S1017 WeakPolarHBondContact O-CB 3.48Å; K1014-S1017 PolarHBondContact O-N 2.79Å; K1014-S1017 VanDerWaalsContact O-N 3.17Å; Y1015-S1017 VanDerWaalsContact C-N 3.29Å; Y1015-S1017 PolarHBondContact O-N 3.4Å; S1017-A1021 WeakPolarHBondContact O-CB 3.28Å; S1017-A1021 PolarHBondContact O-N 3.34Å
1018E89.3Confident85.1Confident98 Ų9853 Ų5346%0.45828%0.284SS..Hα-helixtrans-65.2-45.4173.9-69.9168.2-170.900111.6K1014 Y1015 A1021 S1022K1014-E1018 VanDerWaalsContact CE-OE1 3.27Å; K1014-E1018 WeakPolarHBondContact CE-OE1 3.38Å; K1014-E1018 WeakPolarHBondContact O-CG 3.46Å; K1014-E1018 PolarHBondContact O-N 3.13Å; Y1015-E1018 PolarHBondContact O-N 3.42Å; E1018-A1021 PolarHBondContact O-N 3.47Å; E1018-S1022 WeakPolarHBondContact O-CB 3Å; E1018-S1022 PolarHBondContact O-N 2.99Å
1019L84.6Confident84.3Confident15 Ų1559.4 Ų59.48%0.07932%0.317CS..Hα-helixtrans-62.6-43.7176.9-174.369000111M983 M987 Y1015 F1016 S1022 L1023M983-L1019 HydrophobicContact CG-CD2 4.37Å; M987-L1019 HydrophobicContact CB-CD2 3.88Å; M987-L1019 HydrophobicContact CG-CD2 3.79Å; Y1015-L1019 VanDerWaalsContact O-CB 3.28Å; Y1015-L1019 WeakPolarHBondContact O-CB 3.36Å; Y1015-L1019 PolarHBondContact O-N 3.23Å; F1016-L1019 PolarHBondContact O-N 3.02Å; L1019-S1022 PolarHBondContact O-N 3.48Å; L1019-L1023 HydrophobicContact CG-CD1 4.14Å; L1019-L1023 WeakPolarHBondContact O-CB 3.4Å; L1019-L1023 VanDerWaalsContact O-CG 3.27Å; L1019-L1023 WeakPolarHBondContact O-CG 3.4Å; L1019-L1023 PolarHBondContact O-N 3.06Å
1020R87.1Confident83.6Confident88 Ų8863.5 Ų63.533%0.33234%0.344SS..Hα-helixtrans-58.6-49.4173.4178.2-177.369.9176.91.1111.1F1016 S1022 L1023 I1024 F1039F1016-R1020 VanDerWaalsContact O-CB 3.24Å; F1016-R1020 WeakPolarHBondContact O-CB 3.5Å; F1016-R1020 PolarHBondContact O-N 3.28Å; R1020-S1022 VanDerWaalsContact C-N 3.33Å; R1020-S1022 PolarHBondContact O-N 2.92Å; R1020-L1023 PolarHBondContact O-N 3.19Å; R1020-I1024 HydrophobicContact CG-CD1 3.75Å; R1020-I1024 HydrophobicContact CG-CG1 4.49Å; R1020-I1024 WeakPolarHBondContact O-CB 3.26Å; R1020-I1024 VanDerWaalsContact O-CG1 3.26Å; R1020-I1024 WeakPolarHBondContact O-CG1 3.48Å; R1020-I1024 PolarHBondContact O-N 3.28Å; R1020-F1039 HydrophobicContact CB-CD1 4.37Å; R1020-F1039 HydrophobicContact CB-CE1 4.35Å; R1020-F1039 HydrophobicContact CG-CB 4.08Å; R1020-F1039 HydrophobicContact CG-CD1 3.78Å; R1020-F1039 HydrophobicContact CG-CD2 3.93Å; R1020-F1039 HydrophobicContact CG-CE1 4.11Å; R1020-F1039 HydrophobicContact CG-CE2 4.28Å; R1020-F1039 HydrophobicContact CG-CG 3.68Å; R1020-F1039 HydrophobicContact CG-CZ 4.36Å
1021A86.7Confident83.1Confident42 Ų4264.4 Ų64.435%0.34735%0.348SS..Hα-helixtrans-61.8-42.5178.700000111.4S1017 E1018 I1024 N1025S1017-A1021 WeakPolarHBondContact O-CB 3.28Å; S1017-A1021 PolarHBondContact O-N 3.34Å; E1018-A1021 PolarHBondContact O-N 3.47Å; A1021-I1024 PolarHBondContact O-N 3.42Å; A1021-N1025 WeakPolarHBondContact O-CB 3.31Å; A1021-N1025 PolarHBondContact O-N 3.27Å; A1021-N1025 PolarHBondContact O-ND2 3.16Å
1022S82.9Confident82.9Confident75 Ų7564.4 Ų64.452%0.52435%0.346SS..Hα-helixtrans-61.2-47.9175.8-176.50000112E1018 L1019 R1020 I1024 N1025 S1026E1018-S1022 WeakPolarHBondContact O-CB 3Å; E1018-S1022 PolarHBondContact O-N 2.99Å; L1019-S1022 PolarHBondContact O-N 3.48Å; R1020-S1022 VanDerWaalsContact C-N 3.33Å; R1020-S1022 PolarHBondContact O-N 2.92Å; S1022-I1024 PolarHBondContact O-N 2.6Å; S1022-N1025 PolarHBondContact O-N 2.88Å; S1022-S1026 WeakPolarHBondContact O-CB 3.4Å; S1022-S1026 PolarHBondContact O-N 3.23Å
1023L79.4Confident82.8Confident19 Ų1968.6 Ų68.610%0.09937%0.365CS..Hα-helixtrans-62.7-41.4178-73171.8000111.8M987 F992 L1019 R1020 S1026 F1039M987-L1023 HydrophobicContact CE-CD1 4.41Å; F992-L1023 HydrophobicContact CE2-CD2 3.71Å; F992-L1023 HydrophobicContact CZ-CD2 3.83Å; L1019-L1023 HydrophobicContact CG-CD1 4.14Å; L1019-L1023 WeakPolarHBondContact O-CB 3.4Å; L1019-L1023 VanDerWaalsContact O-CG 3.27Å; L1019-L1023 WeakPolarHBondContact O-CG 3.4Å; L1019-L1023 PolarHBondContact O-N 3.06Å; R1020-L1023 PolarHBondContact O-N 3.19Å; L1023-S1026 PolarHBondContact O-OG 3.2Å; L1023-F1039 HydrophobicContact CB-CZ 4.41Å; L1023-F1039 HydrophobicContact CD1-CZ 4Å
1024I81.4Confident82.7Confident22 Ų2265.5 Ų65.511%0.11335%0.352CS..Hα-helixtrans-67.7-50.5176.7-68.3170.7000110.8R1020 A1021 S1022 S1026 Q1027 Q1032 L1035 F1039R1020-I1024 HydrophobicContact CG-CD1 3.75Å; R1020-I1024 HydrophobicContact CG-CG1 4.49Å; R1020-I1024 WeakPolarHBondContact O-CB 3.26Å; R1020-I1024 VanDerWaalsContact O-CG1 3.26Å; R1020-I1024 WeakPolarHBondContact O-CG1 3.48Å; R1020-I1024 PolarHBondContact O-N 3.28Å; A1021-I1024 PolarHBondContact O-N 3.42Å; S1022-I1024 PolarHBondContact O-N 2.6Å; I1024-S1026 PolarHBondContact O-N 2.88Å; I1024-Q1027 WeakPolarHBondContact O-CB 3.48Å; I1024-Q1027 PolarHBondContact O-N 3.47Å; I1024-Q1032 HydrophobicContact CG2-CB 3.64Å; I1024-Q1032 HydrophobicContact CG2-CG 3.91Å; I1024-Q1032 WeakPolarHBondContact O-CG 3.27Å; I1024-L1035 HydrophobicContact CG1-CB 4.21Å; I1024-F1039 HydrophobicContact CD1-CD2 4.02Å; I1024-F1039 HydrophobicContact CG1-CD2 4.09Å; I1024-F1039 HydrophobicContact CG1-CE2 4.14Å
1025N82.1Confident82.5Confident108 Ų10858.4 Ų58.458%0.57832%0.321SS*.Hα-helixtrans-65-23.7-177.8-68.4-15.7000112.7A1021 S1022 Q1027A1021-N1025 WeakPolarHBondContact O-CB 3.31Å; A1021-N1025 PolarHBondContact O-N 3.27Å; A1021-N1025 PolarHBondContact O-ND2 3.16Å; S1022-N1025 PolarHBondContact O-N 2.88Å; N1025-Q1027 PolarHBondContact O-N 2.89Å
1026S76.4Confident82.4Confident75 Ų7556.7 Ų56.752%0.52432%0.318SS..THydrogen-bonded Turntrans-69-10.2172.577.80000113.7S1022 L1023 I1024S1022-S1026 WeakPolarHBondContact O-CB 3.4Å; S1022-S1026 PolarHBondContact O-N 3.23Å; L1023-S1026 PolarHBondContact O-OG 3.2Å; I1024-S1026 PolarHBondContact O-N 2.88Å
1027Q77.2Confident82.3Confident26 Ų2659 Ų5912%0.12133%0.329CS..SBendtrans-104.5154.5-179.7-56.6-53.8-55.100111.9I1024 N1025 K1031 Q1032 L1035 L1073I1024-Q1027 WeakPolarHBondContact O-CB 3.48Å; I1024-Q1027 PolarHBondContact O-N 3.47Å; N1025-Q1027 PolarHBondContact O-N 2.89Å; Q1027-K1031 HydrophobicContact CB-CB 4.47Å; Q1027-Q1032 PolarHBondContact O-NE2 2.93Å; Q1027-L1035 HydrophobicContact CB-CD1 3.83Å; Q1027-L1035 HydrophobicContact CG-CD1 3.5Å; Q1027-L1035 VanDerWaalsContact CG-CD1 3.5Å; Q1027-L1073 HydrophobicContact CG-CD2 4.45Å
1028P74.9Confident82.2Confident79 Ų7956.7 Ų56.751%0.51331%0.313SS..  trans-58145176.9-23.433.8000112.7P1030 K1031 Q1032P1028-P1030 WeakPolarHBondContact O-CD 3.35Å; P1028-P1030 VanDerWaalsContact O-N 3.11Å; P1028-K1031 PolarHBondContact O-N 3.06Å; P1028-Q1032 PolarHBondContact O-N 3.11Å
1029L76.4Confident82.2Confident138 Ų13852.3 Ų52.372%0.72329%0.293SS*.Hα-helixtrans-43.1-46.1-176-73.7168.1000115.3K1031 Q1032L1029-K1031 PolarHBondContact O-N 2.78Å; L1029-Q1032 WeakPolarHBondContact O-CB 3.46Å; L1029-Q1032 PolarHBondContact O-N 3.26Å; L1029-Q1032 VanDerWaalsContact O-N 3.17Å
1030P76.4Confident82.3Confident90 Ų9058 Ų5858%0.58431%0.313SS*.Hα-helixtrans-62.7-27.7-178.7-20.732.3000113.9P1028P1028-P1030 WeakPolarHBondContact O-CD 3.35Å; P1028-P1030 VanDerWaalsContact O-N 3.11Å
1031K76.6Confident82.4Confident33 Ų3355.6 Ų55.614%0.14331%0.307CS..Hα-helixtrans-87.2-18.1-178.2-60.6-168.3176.3-144.70112.5Q1027 P1028 L1029 E1033 V1034 L1035 A1072 L1073 S1075Q1027-K1031 HydrophobicContact CB-CB 4.47Å; P1028-K1031 PolarHBondContact O-N 3.06Å; L1029-K1031 PolarHBondContact O-N 2.78Å; K1031-E1033 VanDerWaalsContact C-N 3.35Å; K1031-E1033 PolarHBondContact O-N 2.85Å; K1031-V1034 PolarHBondContact O-N 3.31Å; K1031-L1035 HydrophobicContact CB-CD1 4.35Å; K1031-L1035 WeakPolarHBondContact O-CB 3.3Å; K1031-L1035 VanDerWaalsContact O-CG 3.31Å; K1031-L1035 WeakPolarHBondContact O-CG 3.42Å; K1031-L1035 PolarHBondContact O-N 3.19Å; K1031-A1072 WeakPolarHBondContact CD-O 3.49Å; K1031-A1072 WeakPolarHBondContact CE-O 3.26Å; K1031-A1072 PolarHBondContact NZ-O 3Å; K1031-L1073 PolarHBondContact NZ-O 3.44Å; K1031-S1075 WeakPolarHBondContact CE-O 3.45Å; K1031-S1075 PolarHBondContact NZ-O 3.43Å
1032Q83Confident82.6Confident47 Ų4753.6 Ų53.622%0.2229%0.29CS..Hα-helixtrans-64.1-40.2-173.8-65.9-173.32.500112.1I1024 Q1027 P1028 L1029 G1036I1024-Q1032 HydrophobicContact CG2-CB 3.64Å; I1024-Q1032 HydrophobicContact CG2-CG 3.91Å; I1024-Q1032 WeakPolarHBondContact O-CG 3.27Å; Q1027-Q1032 PolarHBondContact O-NE2 2.93Å; P1028-Q1032 PolarHBondContact O-N 3.11Å; L1029-Q1032 WeakPolarHBondContact O-CB 3.46Å; L1029-Q1032 PolarHBondContact O-N 3.26Å; L1029-Q1032 VanDerWaalsContact O-N 3.17Å; Q1032-G1036 PolarHBondContact O-N 3.46Å
1033E83.9Confident82.9Confident128 Ų12852.5 Ų52.560%0.59828%0.277SS*.Hα-helixtrans-67.3-45.5179.6-171.7170.5-16800112K1031 G1036 Q1037K1031-E1033 VanDerWaalsContact C-N 3.35Å; K1031-E1033 PolarHBondContact O-N 2.85Å; E1033-G1036 WeakPolarHBondContact O-CA 3.42Å; E1033-G1036 PolarHBondContact O-N 3.18Å; E1033-Q1037 PolarHBondContact O-N 2.81Å
1034V84.9Confident83.4Confident25 Ų2557 Ų5715%0.15230%0.298CS..Hα-helixtrans-62.1-45.3177.3-177.80000111K1031 G1036 Q1037 C1038 A1072 L1084K1031-V1034 PolarHBondContact O-N 3.31Å; V1034-G1036 VanDerWaalsContact C-N 3.32Å; V1034-G1036 PolarHBondContact O-N 3.33Å; V1034-Q1037 WeakPolarHBondContact O-CB 3.47Å; V1034-Q1037 PolarHBondContact O-N 2.93Å; V1034-C1038 PolarHBondContact O-N 3.4Å; V1034-C1038 PolarHBondContact O-SG 3.45Å; V1034-A1072 HydrophobicContact CG1-CB 3.78Å; V1034-L1084 HydrophobicContact CG1-CD1 4.49Å
1035L83.3Confident83.7Confident7 Ų758.8 Ų58.84%0.03732%0.321CS..Hα-helixtrans-63.6-40.1175.1-72.4167.9000111.4I1024 Q1027 K1031 Q1037 C1038 F1039 V1069 A1072I1024-L1035 HydrophobicContact CG1-CB 4.21Å; Q1027-L1035 HydrophobicContact CB-CD1 3.83Å; Q1027-L1035 HydrophobicContact CG-CD1 3.5Å; Q1027-L1035 VanDerWaalsContact CG-CD1 3.5Å; K1031-L1035 HydrophobicContact CB-CD1 4.35Å; K1031-L1035 WeakPolarHBondContact O-CB 3.3Å; K1031-L1035 VanDerWaalsContact O-CG 3.31Å; K1031-L1035 WeakPolarHBondContact O-CG 3.42Å; K1031-L1035 PolarHBondContact O-N 3.19Å; L1035-Q1037 VanDerWaalsContact C-N 3.27Å; L1035-Q1037 PolarHBondContact O-N 3.14Å; L1035-C1038 WeakPolarHBondContact O-CB 3.49Å; L1035-C1038 PolarHBondContact O-N 3.19Å; L1035-C1038 VanDerWaalsContact O-N 3.16Å; L1035-F1039 VanDerWaalsContact O-CD2 3.28Å; L1035-F1039 WeakPolarHBondContact O-CD2 3.49Å; L1035-F1039 PolarHBondContact O-N 3.2Å; L1035-V1069 HydrophobicContact CD2-CB 4.41Å; L1035-V1069 HydrophobicContact CD2-CG1 4.04Å; L1035-V1069 HydrophobicContact CD2-CG2 4.01Å; L1035-A1072 HydrophobicContact CD2-CB 4.5Å
1036G85.9Confident84Confident12 Ų1254.8 Ų54.812%0.12430%0.301CS..Hα-helixtrans-55.2-42.3172.600000112.4Q1032 E1033 V1034 R1040Q1032-G1036 PolarHBondContact O-N 3.46Å; E1033-G1036 WeakPolarHBondContact O-CA 3.42Å; E1033-G1036 PolarHBondContact O-N 3.18Å; V1034-G1036 VanDerWaalsContact C-N 3.32Å; V1034-G1036 PolarHBondContact O-N 3.33Å; G1036-R1040 WeakPolarHBondContact O-CG 3.29Å; G1036-R1040 PolarHBondContact O-N 3.02Å
1037Q86.8Confident84.5Confident59 Ų5956.8 Ų56.828%0.27630%0.302SS..Hα-helixtrans-66.9-44.5174-171.56233.500112.2E1033 V1034 L1035 F1039 R1040 N1041E1033-Q1037 PolarHBondContact O-N 2.81Å; V1034-Q1037 WeakPolarHBondContact O-CB 3.47Å; V1034-Q1037 PolarHBondContact O-N 2.93Å; L1035-Q1037 VanDerWaalsContact C-N 3.27Å; L1035-Q1037 PolarHBondContact O-N 3.14Å; Q1037-F1039 VanDerWaalsContact C-N 3.29Å; Q1037-F1039 PolarHBondContact O-N 3.29Å; Q1037-R1040 WeakPolarHBondContact O-CA 3.38Å; Q1037-R1040 WeakPolarHBondContact O-CB 3.37Å; Q1037-R1040 PolarHBondContact O-N 3.33Å; Q1037-N1041 PolarHBondContact NE2-OD1 2.69Å; Q1037-N1041 PolarHBondContact O-N 3.41Å; Q1037-N1041 PolarHBondContact O-OD1 3.46Å
1038C87.9Confident84.9Confident4 Ų461.2 Ų61.23%0.02732%0.322CS..Hα-helixtrans-55.1-46.3176.7-63.30000111.2V1034 L1035 R1040 N1041 L1042 F1065 V1069V1034-C1038 PolarHBondContact O-N 3.4Å; V1034-C1038 PolarHBondContact O-SG 3.45Å; L1035-C1038 WeakPolarHBondContact O-CB 3.49Å; L1035-C1038 PolarHBondContact O-N 3.19Å; L1035-C1038 VanDerWaalsContact O-N 3.16Å; C1038-R1040 VanDerWaalsContact C-N 3.3Å; C1038-R1040 PolarHBondContact O-N 2.83Å; C1038-N1041 PolarHBondContact O-N 2.88Å; C1038-L1042 PolarHBondContact O-N 3.17Å; C1038-F1065 HydrophobicContact CB-CD2 3.88Å; C1038-F1065 HydrophobicContact CB-CE2 4.02Å; C1038-F1065 WeakPolarHBondContact O-CD2 3.31Å; C1038-V1069 HydrophobicContact CB-CG2 3.85Å
1039F88.7Confident85.5Confident7 Ų759.6 Ų59.63%0.03131%0.31CS..Hα-helixtrans-65.7-28.2177-85.6-77.4000113.8M987 F1016 R1020 L1023 I1024 L1035 Q1037 L1042 F1065M987-F1039 HydrophobicContact CE-CE1 3.55Å; M987-F1039 HydrophobicContact CE-CZ 4.03Å; F1016-F1039 HydrophobicContact CE2-CE1 4.49Å; F1016-F1039 HydrophobicContact CZ-CD1 4.17Å; F1016-F1039 HydrophobicContact CZ-CE1 4.42Å; R1020-F1039 HydrophobicContact CB-CD1 4.37Å; R1020-F1039 HydrophobicContact CB-CE1 4.35Å; R1020-F1039 HydrophobicContact CG-CB 4.08Å; R1020-F1039 HydrophobicContact CG-CD1 3.78Å; R1020-F1039 HydrophobicContact CG-CD2 3.93Å; R1020-F1039 HydrophobicContact CG-CE1 4.11Å; R1020-F1039 HydrophobicContact CG-CE2 4.28Å; R1020-F1039 HydrophobicContact CG-CG 3.68Å; R1020-F1039 HydrophobicContact CG-CZ 4.36Å; L1023-F1039 HydrophobicContact CB-CZ 4.41Å; L1023-F1039 HydrophobicContact CD1-CZ 4Å; I1024-F1039 HydrophobicContact CD1-CD2 4.02Å; I1024-F1039 HydrophobicContact CG1-CD2 4.09Å; I1024-F1039 HydrophobicContact CG1-CE2 4.14Å; L1035-F1039 VanDerWaalsContact O-CD2 3.28Å; L1035-F1039 WeakPolarHBondContact O-CD2 3.49Å; L1035-F1039 PolarHBondContact O-N 3.2Å; Q1037-F1039 VanDerWaalsContact C-N 3.29Å; Q1037-F1039 PolarHBondContact O-N 3.29Å; F1039-L1042 HydrophobicContact CD1-CD2 4.46Å; F1039-F1065 AromaticContact CD1-CE2 3.85Å; F1039-F1065 HydrophobicContact CD1-CE2 3.85Å; F1039-F1065 HydrophobicContact CD1-CZ 4.02Å; F1039-F1065 HydrophobicContact CD2-CE2 4.04Å; F1039-F1065 HydrophobicContact CD2-CZ 4.39Å; F1039-F1065 HydrophobicContact CE1-CE2 4.05Å; F1039-F1065 AromaticContact CE1-CZ 3.73Å; F1039-F1065 HydrophobicContact CE1-CZ 3.73Å; F1039-F1065 HydrophobicContact CE2-CE2 4.2Å; F1039-F1065 HydrophobicContact CE2-CZ 4.1Å; F1039-F1065 AromaticContact CG-CE2 3.85Å; F1039-F1065 HydrophobicContact CG-CE2 3.85Å; F1039-F1065 HydrophobicContact CG-CZ 4.35Å; F1039-F1065 HydrophobicContact CZ-CE2 4.21Å; F1039-F1065 AromaticContact CZ-CZ 3.76Å; F1039-F1065 HydrophobicContact CZ-CZ 3.76Å
1040R87.3Confident86Confident134 Ų13454 Ų5451%0.50628%0.28SS..Hα-helixtrans-68.8-48.3171.3-74.5-173.5-73.1-100.15.2110.5G1036 Q1037 C1038 L1042 M1043 E1044G1036-R1040 WeakPolarHBondContact O-CG 3.29Å; G1036-R1040 PolarHBondContact O-N 3.02Å; Q1037-R1040 WeakPolarHBondContact O-CA 3.38Å; Q1037-R1040 WeakPolarHBondContact O-CB 3.37Å; Q1037-R1040 PolarHBondContact O-N 3.33Å; C1038-R1040 VanDerWaalsContact C-N 3.3Å; C1038-R1040 PolarHBondContact O-N 2.83Å; R1040-L1042 PolarHBondContact O-N 3.31Å; R1040-M1043 PolarHBondContact O-N 3.34Å; R1040-M1043 VanDerWaalsContact O-N 3.11Å; R1040-E1044 PolarHBondContact O-N 3.4Å
1041N89.1Confident86.6Confident38 Ų3852.1 Ų52.120%0.20327%0.269CS..Hα-helixtrans-59.6-35.1178.6-63.53.9000111.8Q1037 C1038 M1043 E1044 N1061Q1037-N1041 PolarHBondContact NE2-OD1 2.69Å; Q1037-N1041 PolarHBondContact O-N 3.41Å; Q1037-N1041 PolarHBondContact O-OD1 3.46Å; C1038-N1041 PolarHBondContact O-N 2.88Å; N1041-M1043 VanDerWaalsContact C-N 3.25Å; N1041-M1043 PolarHBondContact O-N 3.06Å; N1041-E1044 WeakPolarHBondContact O-CB 3.35Å; N1041-E1044 PolarHBondContact O-N 3.43Å; N1041-E1044 VanDerWaalsContact O-N 3.14Å; N1041-N1061 PolarHBondContact O-ND2 2.87Å
1042L90Very high87.1Confident0 Ų055 Ų550%029%0.289CS..Hα-helixtrans-54.1-42175.9177.759.1000112.5F1016 C1038 F1039 R1040 F1058 N1061 L1062 F1065F1016-L1042 HydrophobicContact CZ-CD2 4.43Å; C1038-L1042 PolarHBondContact O-N 3.17Å; F1039-L1042 HydrophobicContact CD1-CD2 4.46Å; R1040-L1042 PolarHBondContact O-N 3.31Å; L1042-F1058 HydrophobicContact CD1-CD2 4.25Å; L1042-F1058 HydrophobicContact CD1-CE2 3.7Å; L1042-F1058 HydrophobicContact CD1-CZ 4.09Å; L1042-F1058 HydrophobicContact CD2-CE2 4.38Å; L1042-F1058 HydrophobicContact CG-CE2 3.89Å; L1042-N1061 HydrophobicContact CD1-CB 4.43Å; L1042-N1061 VanDerWaalsContact O-CB 3.29Å; L1042-N1061 WeakPolarHBondContact O-CB 3.31Å; L1042-N1061 PolarHBondContact O-ND2 3.39Å; L1042-N1061 VanDerWaalsContact O-ND2 3.08Å; L1042-L1062 HydrophobicContact CD1-CB 4.06Å; L1042-L1062 HydrophobicContact CD1-CD1 3.53Å; L1042-L1062 HydrophobicContact CD1-CG 4.43Å; L1042-L1062 HydrophobicContact CD2-CD1 4.44Å; L1042-F1065 HydrophobicContact CB-CB 4.34Å; L1042-F1065 HydrophobicContact CB-CD2 3.94Å; L1042-F1065 HydrophobicContact CB-CG 4.23Å; L1042-F1065 HydrophobicContact CD1-CB 4.08Å; L1042-F1065 HydrophobicContact CD1-CG 4.24Å; L1042-F1065 HydrophobicContact CD2-CD1 4.42Å; L1042-F1065 HydrophobicContact CD2-CD2 4.29Å; L1042-F1065 HydrophobicContact CD2-CE1 4.48Å; L1042-F1065 HydrophobicContact CD2-CE2 4.35Å; L1042-F1065 HydrophobicContact CD2-CG 4.32Å; L1042-F1065 HydrophobicContact CD2-CZ 4.44Å
1043M90.2Very high87.4Confident51 Ų5161.3 Ų61.325%0.25132%0.316SS..THydrogen-bonded Turntrans-95.26.2-177.2-61.8-57.7-65.400113.3I1009 F1016 R1040 N1041 G1045 V1046 F1058I1009-M1043 HydrophobicContact CD1-SD 4.44Å; I1009-M1043 HydrophobicContact CG2-CE 3.93Å; I1009-M1043 HydrophobicContact CG2-SD 4.26Å; F1016-M1043 HydrophobicContact CE1-CG 4.41Å; R1040-M1043 PolarHBondContact O-N 3.34Å; R1040-M1043 VanDerWaalsContact O-N 3.11Å; N1041-M1043 VanDerWaalsContact C-N 3.25Å; N1041-M1043 PolarHBondContact O-N 3.06Å; M1043-G1045 PolarHBondContact O-N 3.09Å; M1043-V1046 HydrophobicContact CE-CB 4.26Å; M1043-V1046 HydrophobicContact CE-CG1 3.97Å; M1043-V1046 WeakPolarHBondContact O-CB 3.48Å; M1043-V1046 PolarHBondContact O-N 3.06Å; M1043-F1058 HydrophobicContact SD-CD2 4.29Å; M1043-F1058 HydrophobicContact SD-CE2 3.88Å
1044E88.8Confident87.7Confident115 Ų11555.5 Ų55.554%0.53729%0.289SS..THydrogen-bonded Turntrans-70.9122.7-175.5-169.1-178.1177.500112.3R1040 N1041 V1046 N1061R1040-E1044 PolarHBondContact O-N 3.4Å; N1041-E1044 WeakPolarHBondContact O-CB 3.35Å; N1041-E1044 PolarHBondContact O-N 3.43Å; N1041-E1044 VanDerWaalsContact O-N 3.14Å; E1044-V1046 PolarHBondContact O-N 3.01Å; E1044-N1061 PolarHBondContact O-ND2 3.45Å
1045G87.9Confident88Confident58 Ų5855.6 Ų55.660%0.59829%0.287SS*.THydrogen-bonded Turntrans69.911.9-175.100000114M1043M1043-G1045 PolarHBondContact O-N 3.09Å
1046V88.2Confident88.3Confident24 Ų2458.1 Ų58.115%0.14530%0.301CS..  trans-86.3116.9175.6-179.20000109.1L1006 M1043 E1044 N1054 F1058L1006-V1046 HydrophobicContact CD1-CG1 3.55Å; M1043-V1046 HydrophobicContact CE-CB 4.26Å; M1043-V1046 HydrophobicContact CE-CG1 3.97Å; M1043-V1046 WeakPolarHBondContact O-CB 3.48Å; M1043-V1046 PolarHBondContact O-N 3.06Å; E1044-V1046 PolarHBondContact O-N 3.01Å; V1046-N1054 WeakPolarHBondContact CA-OD1 3.41Å; V1046-F1058 HydrophobicContact CG2-CB 4.26Å; V1046-F1058 HydrophobicContact CG2-CD2 4.15Å
1047E87.1Confident88.6Confident118 Ų11862.6 Ų62.655%0.55131%0.314SS*.  trans-84164.3179.9-63.4178.9175.100112.3N1049 N1054E1047-N1049 WeakPolarHBondContact CB-ND2 3.49Å; E1047-N1049 PolarHBondContact O-N 2.92Å; E1047-N1049 PolarHBondContact OE2-ND2 2.81Å; E1047-N1054 PolarHBondContact N-ND2 3.26Å; E1047-N1054 PolarHBondContact N-OD1 3.17Å; E1047-N1054 PolarHBondContact O-ND2 3.19Å
1048Q85.5Confident88.8Confident118 Ų11859.8 Ų59.855%0.55130%0.301SS*.SBendtrans-76.151.4174.1-70.2-69.4-20.800112.5E1013E1013-Q1048 PolarHBondContact OE1-NE2 3.31Å
1049N87.6Confident89Confident46 Ų4660.4 Ų60.425%0.24630%0.304CS..SBendtrans-151.8162.3176.965.767.6000112.4E1047 S1051 N1054E1047-N1049 WeakPolarHBondContact CB-ND2 3.49Å; E1047-N1049 PolarHBondContact O-N 2.92Å; E1047-N1049 PolarHBondContact OE2-ND2 2.81Å; N1049-S1051 VanDerWaalsContact OD1-CB 3.24Å; N1049-S1051 WeakPolarHBondContact OD1-CB 3.35Å; N1049-S1051 PolarHBondContact OD1-N 3.33Å; N1049-S1051 VanDerWaalsContact OD1-N 3.09Å; N1049-S1051 PolarHBondContact OD1-OG 3.42Å; N1049-N1054 PolarHBondContact O-ND2 3.01Å
1050L87.9Confident89Confident19 Ų1965.5 Ų65.510%0.09933%0.328CS..  trans-103.836.8177.2-64177.3000112.2F945 L1006 L1010 R1055F945-L1050 HydrophobicContact CB-CD1 3.58Å; F945-L1050 HydrophobicContact CD1-CD1 3.91Å; F945-L1050 HydrophobicContact CD1-CG 3.98Å; F945-L1050 HydrophobicContact CD2-CD1 4.35Å; F945-L1050 HydrophobicContact CE1-CG 4.38Å; F945-L1050 HydrophobicContact CG-CD1 3.68Å; F945-L1050 HydrophobicContact CG-CG 4.11Å; L1006-L1050 HydrophobicContact CD2-CD2 4.06Å; L1006-L1050 HydrophobicContact CG-CD2 3.95Å; L1010-L1050 HydrophobicContact CD1-CD2 3.83Å; L1010-L1050 HydrophobicContact CD1-CG 4.36Å; L1050-R1055 PolarHBondContact O-NH1 3.2Å
1051S88Confident89.2Confident51 Ų5159.9 Ų59.936%0.35731%0.308SS..  trans-64.8153.517470.90000111N1049 K1053 N1054 R1055N1049-S1051 VanDerWaalsContact OD1-CB 3.24Å; N1049-S1051 WeakPolarHBondContact OD1-CB 3.35Å; N1049-S1051 PolarHBondContact OD1-N 3.33Å; N1049-S1051 VanDerWaalsContact OD1-N 3.09Å; N1049-S1051 PolarHBondContact OD1-OG 3.42Å; S1051-K1053 VanDerWaalsContact C-N 3.28Å; S1051-K1053 PolarHBondContact O-N 3.42Å; S1051-N1054 PolarHBondContact O-N 3.22Å; S1051-N1054 VanDerWaalsContact O-N 3.15Å; S1051-N1054 VanDerWaalsContact OG-CB 3.27Å; S1051-N1054 WeakPolarHBondContact OG-CB 3.37Å; S1051-N1054 PolarHBondContact OG-N 3.14Å; S1051-R1055 PolarHBondContact O-N 2.92Å
1052V88Confident89.2Confident94 Ų9458.1 Ų58.157%0.5730%0.298SS*.Hα-helixtrans-58.2-44.3178.9179.50000110.6N1054 R1055 D1056V1052-N1054 VanDerWaalsContact C-N 3.33Å; V1052-N1054 PolarHBondContact O-N 2.88Å; V1052-R1055 WeakPolarHBondContact O-CB 3.48Å; V1052-R1055 PolarHBondContact O-N 3.13Å; V1052-D1056 PolarHBondContact O-N 3.46Å
1053K88.3Confident89.1Confident179 Ų17960.6 Ų60.678%0.77832%0.316SS*.Hα-helixtrans-56.8-44.6175.5-67.5-172.8178.8-175.60112.3S1051 D1056 R1057S1051-K1053 VanDerWaalsContact C-N 3.28Å; S1051-K1053 PolarHBondContact O-N 3.42Å; K1053-D1056 PolarHBondContact O-N 3.46Å; K1053-R1057 WeakPolarHBondContact O-CB 3.42Å; K1053-R1057 PolarHBondContact O-N 2.99Å
1054N90.5Very high88.9Confident6 Ų660.7 Ų60.73%0.03232%0.319CS..Hα-helixtrans-68-38.4-179.9-162.142.8000112.1V1046 E1047 N1049 S1051 V1052 R1057 F1058V1046-N1054 WeakPolarHBondContact CA-OD1 3.41Å; E1047-N1054 PolarHBondContact N-ND2 3.26Å; E1047-N1054 PolarHBondContact N-OD1 3.17Å; E1047-N1054 PolarHBondContact O-ND2 3.19Å; N1049-N1054 PolarHBondContact O-ND2 3.01Å; S1051-N1054 PolarHBondContact O-N 3.22Å; S1051-N1054 VanDerWaalsContact O-N 3.15Å; S1051-N1054 VanDerWaalsContact OG-CB 3.27Å; S1051-N1054 WeakPolarHBondContact OG-CB 3.37Å; S1051-N1054 PolarHBondContact OG-N 3.14Å; V1052-N1054 VanDerWaalsContact C-N 3.33Å; V1052-N1054 PolarHBondContact O-N 2.88Å; N1054-R1057 PolarHBondContact O-N 3.32Å; N1054-F1058 WeakPolarHBondContact O-CB 3.33Å; N1054-F1058 PolarHBondContact O-N 3.31Å
1055R90.9Very high88.9Confident27 Ų2755.3 Ų55.310%0.10229%0.294CS..Hα-helixtrans-62.9-41172.7-74175.7161127.4-11.5112.8D938 T942 R1003 L1006 L1050 S1051 V1052 F1058 T1059D938-R1055 IonicContact OD1-CZ 3.13Å; D938-R1055 IonicContact OD1-NE 2.92Å; D938-R1055 IonicContact OD1-NH2 2.81Å; D938-R1055 PolarHBondContact OD1-NH2 3.2Å; D938-R1055 IonicContact OD2-CZ 3.31Å; D938-R1055 IonicContact OD2-NE 3.41Å; D938-R1055 IonicContact OD2-NH2 3.47Å; D938-R1055 PolarHBondContact OD2-NH2 3.19Å; T942-R1055 PolarHBondContact OG1-NH2 3.04Å; R1003-R1055 VanDerWaalsContact NH1-CB 3.26Å; L1006-R1055 HydrophobicContact CD2-CB 4.47Å; L1006-R1055 HydrophobicContact CD2-CG 3.88Å; L1050-R1055 PolarHBondContact O-NH1 3.2Å; S1051-R1055 PolarHBondContact O-N 2.92Å; V1052-R1055 WeakPolarHBondContact O-CB 3.48Å; V1052-R1055 PolarHBondContact O-N 3.13Å; R1055-F1058 PolarHBondContact O-N 2.87Å; R1055-T1059 WeakPolarHBondContact O-CB 3.31Å; R1055-T1059 PolarHBondContact O-N 3.29Å; R1055-T1059 PolarHBondContact O-OG1 2.89Å
1056D90.2Very high88.6Confident61 Ų6155.1 Ų55.133%0.32628%0.275SS..Hα-helixtrans-67.7-41.4178.8-63.5-20.4000110.5R1003 V1052 K1053 T1059 Q1060R1003-D1056 IonicContact CZ-OD1 3.56Å; R1003-D1056 IonicContact NH1-OD1 3.42Å; R1003-D1056 PolarHBondContact NH1-OD1 3.05Å; R1003-D1056 VanDerWaalsContact NH1-OD1 3.11Å; R1003-D1056 IonicContact NH2-OD1 2.66Å; R1003-D1056 PolarHBondContact NH2-OD1 3.42Å; V1052-D1056 PolarHBondContact O-N 3.46Å; K1053-D1056 PolarHBondContact O-N 3.46Å; D1056-T1059 PolarHBondContact O-N 3.43Å; D1056-Q1060 WeakPolarHBondContact O-CG 3.29Å; D1056-Q1060 PolarHBondContact O-N 2.96Å
1057R91Very high88.2Confident106 Ų10661 Ų6140%0.430%0.295SS..Hα-helixtrans-59.4-49.7172.5-176.760.3175.4-178.21.8111.7K1053 N1054 T1059 Q1060 N1061K1053-R1057 WeakPolarHBondContact O-CB 3.42Å; K1053-R1057 PolarHBondContact O-N 2.99Å; N1054-R1057 PolarHBondContact O-N 3.32Å; R1057-T1059 VanDerWaalsContact C-N 3.28Å; R1057-T1059 PolarHBondContact O-N 2.89Å; R1057-Q1060 WeakPolarHBondContact O-CB 3.05Å; R1057-Q1060 PolarHBondContact O-N 3.48Å; R1057-N1061 VanDerWaalsContact O-CG 3.32Å; R1057-N1061 PolarHBondContact O-N 3.05Å; R1057-N1061 PolarHBondContact O-OD1 2.94Å
1058F92.7Very high88.1Confident0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-58.6-40.1175.5179.8-100.9000112S1002 L1005 L1006 I1009 L1042 M1043 V1046 N1054 R1055 Q1060 N1061 L1062S1002-F1058 WeakPolarHBondContact O-CE1 3.45Å; L1005-F1058 HydrophobicContact CB-CE1 4.33Å; L1005-F1058 HydrophobicContact CD2-CE1 4.17Å; L1005-F1058 HydrophobicContact CD2-CZ 3.93Å; L1005-F1058 HydrophobicContact CG-CE1 4.24Å; L1005-F1058 HydrophobicContact CG-CZ 4.04Å; L1006-F1058 HydrophobicContact CB-CD1 3.75Å; L1006-F1058 HydrophobicContact CB-CE1 4Å; L1006-F1058 HydrophobicContact CB-CG 4.05Å; L1006-F1058 HydrophobicContact CB-CZ 4.49Å; L1006-F1058 HydrophobicContact CD1-CB 4.3Å; L1006-F1058 HydrophobicContact CD1-CD2 3.93Å; L1006-F1058 HydrophobicContact CD1-CE2 4.39Å; L1006-F1058 HydrophobicContact CD1-CG 4.01Å; L1006-F1058 HydrophobicContact CD2-CB 4.06Å; L1006-F1058 HydrophobicContact CD2-CG 4.38Å; L1006-F1058 HydrophobicContact CG-CG 4.36Å; I1009-F1058 HydrophobicContact CD1-CE2 4.03Å; I1009-F1058 HydrophobicContact CD1-CZ 3.82Å; L1042-F1058 HydrophobicContact CD1-CD2 4.25Å; L1042-F1058 HydrophobicContact CD1-CE2 3.7Å; L1042-F1058 HydrophobicContact CD1-CZ 4.09Å; L1042-F1058 HydrophobicContact CD2-CE2 4.38Å; L1042-F1058 HydrophobicContact CG-CE2 3.89Å; M1043-F1058 HydrophobicContact SD-CD2 4.29Å; M1043-F1058 HydrophobicContact SD-CE2 3.88Å; V1046-F1058 HydrophobicContact CG2-CB 4.26Å; V1046-F1058 HydrophobicContact CG2-CD2 4.15Å; N1054-F1058 WeakPolarHBondContact O-CB 3.33Å; N1054-F1058 PolarHBondContact O-N 3.31Å; R1055-F1058 PolarHBondContact O-N 2.87Å; F1058-Q1060 PolarHBondContact O-N 3.49Å; F1058-N1061 PolarHBondContact O-N 3.21Å; F1058-L1062 HydrophobicContact CE1-CD1 4.38Å; F1058-L1062 HydrophobicContact CZ-CD1 4.24Å; F1058-L1062 VanDerWaalsContact O-CB 3.26Å; F1058-L1062 WeakPolarHBondContact O-CB 3.15Å; F1058-L1062 PolarHBondContact O-N 2.98Å
1059T90.4Very high87.9Confident16 Ų1650.5 Ų50.510%0.09825%0.246CC..Hα-helixtrans-65.8-38.3178.4-56.70000112.2S1002 R1055 D1056 R1057 L1062 S1063S1002-T1059 WeakPolarHBondContact CB-OG1 3.39Å; S1002-T1059 PolarHBondContact OG-OG1 2.98Å; R1055-T1059 WeakPolarHBondContact O-CB 3.31Å; R1055-T1059 PolarHBondContact O-N 3.29Å; R1055-T1059 PolarHBondContact O-OG1 2.89Å; D1056-T1059 PolarHBondContact O-N 3.43Å; R1057-T1059 VanDerWaalsContact C-N 3.28Å; R1057-T1059 PolarHBondContact O-N 2.89Å; T1059-L1062 PolarHBondContact O-N 3.22Å; T1059-S1063 PolarHBondContact O-N 3.06Å; T1059-S1063 VanDerWaalsContact O-N 3.12Å; T1059-S1063 PolarHBondContact O-OG 3.48Å
1060Q89.3Confident87.3Confident115 Ų11550.1 Ų50.154%0.53725%0.249SC..Hα-helixtrans-63.6-50.3172.5-71.2171.4-1.800110.8D1056 R1057 F1058 L1062 S1063 V1064D1056-Q1060 WeakPolarHBondContact O-CG 3.29Å; D1056-Q1060 PolarHBondContact O-N 2.96Å; R1057-Q1060 WeakPolarHBondContact O-CB 3.05Å; R1057-Q1060 PolarHBondContact O-N 3.48Å; F1058-Q1060 PolarHBondContact O-N 3.49Å; Q1060-L1062 PolarHBondContact O-N 3.32Å; Q1060-S1063 VanDerWaalsContact O-CB 3.3Å; Q1060-S1063 WeakPolarHBondContact O-CB 3.21Å; Q1060-S1063 PolarHBondContact O-N 3.37Å; Q1060-V1064 PolarHBondContact O-N 3.32Å; Q1060-V1064 VanDerWaalsContact O-N 3.16Å
1061N91.7Very high86.7Confident16 Ų1655 Ų559%0.08627%0.272CS..Hα-helixtrans-58.8-38.2176.9-66.11.3000111.6N1041 L1042 E1044 R1057 F1058 S1063 V1064 F1065N1041-N1061 PolarHBondContact O-ND2 2.87Å; L1042-N1061 HydrophobicContact CD1-CB 4.43Å; L1042-N1061 VanDerWaalsContact O-CB 3.29Å; L1042-N1061 WeakPolarHBondContact O-CB 3.31Å; L1042-N1061 PolarHBondContact O-ND2 3.39Å; L1042-N1061 VanDerWaalsContact O-ND2 3.08Å; E1044-N1061 PolarHBondContact O-ND2 3.45Å; R1057-N1061 VanDerWaalsContact O-CG 3.32Å; R1057-N1061 PolarHBondContact O-N 3.05Å; R1057-N1061 PolarHBondContact O-OD1 2.94Å; F1058-N1061 PolarHBondContact O-N 3.21Å; N1061-S1063 VanDerWaalsContact C-N 3.3Å; N1061-S1063 PolarHBondContact O-N 3.22Å; N1061-V1064 PolarHBondContact O-N 3.21Å; N1061-F1065 WeakPolarHBondContact O-CB 3.48Å; N1061-F1065 PolarHBondContact O-N 3.46Å
1062L89.6Confident86Confident0 Ų052.9 Ų52.90%026%0.258CS..Hα-helixtrans-64.6-34.4176.8-165.775.3000112.4I990 Q998 S1002 L1005 L1042 F1058 T1059 Q1060 F1065 R1066I990-L1062 HydrophobicContact CD1-CD1 4Å; I990-L1062 HydrophobicContact CD1-CD2 3.79Å; I990-L1062 HydrophobicContact CD1-CG 4.37Å; I990-L1062 HydrophobicContact CG1-CD2 4.26Å; I990-L1062 HydrophobicContact CG2-CD1 3.94Å; I990-L1062 HydrophobicContact CG2-CG 4.2Å; Q998-L1062 HydrophobicContact CG-CD2 4.19Å; S1002-L1062 VanDerWaalsContact CB-CD2 3.49Å; L1005-L1062 HydrophobicContact CD2-CD1 4.23Å; L1042-L1062 HydrophobicContact CD1-CB 4.06Å; L1042-L1062 HydrophobicContact CD1-CD1 3.53Å; L1042-L1062 HydrophobicContact CD1-CG 4.43Å; L1042-L1062 HydrophobicContact CD2-CD1 4.44Å; F1058-L1062 HydrophobicContact CE1-CD1 4.38Å; F1058-L1062 HydrophobicContact CZ-CD1 4.24Å; F1058-L1062 VanDerWaalsContact O-CB 3.26Å; F1058-L1062 WeakPolarHBondContact O-CB 3.15Å; F1058-L1062 PolarHBondContact O-N 2.98Å; T1059-L1062 PolarHBondContact O-N 3.22Å; Q1060-L1062 PolarHBondContact O-N 3.32Å; L1062-F1065 HydrophobicContact CD1-CD1 4.26Å; L1062-R1066 WeakPolarHBondContact O-CB 3.42Å; L1062-R1066 PolarHBondContact O-N 3.13Å
1063S86.6Confident85.1Confident53 Ų5350.3 Ų50.337%0.37124%0.24SC..Hα-helixtrans-66.6-44.4176.6-52.30000111.1Q998 T1059 Q1060 N1061 R1067Q998-S1063 PolarHBondContact NE2-OG 2.91Å; T1059-S1063 PolarHBondContact O-N 3.06Å; T1059-S1063 VanDerWaalsContact O-N 3.12Å; T1059-S1063 PolarHBondContact O-OG 3.48Å; Q1060-S1063 VanDerWaalsContact O-CB 3.3Å; Q1060-S1063 WeakPolarHBondContact O-CB 3.21Å; Q1060-S1063 PolarHBondContact O-N 3.37Å; N1061-S1063 VanDerWaalsContact C-N 3.3Å; N1061-S1063 PolarHBondContact O-N 3.22Å; S1063-R1067 PolarHBondContact O-N 2.89Å
1064V87Confident84.1Confident52 Ų5251.9 Ų51.932%0.31524%0.241SC..Hα-helixtrans-64.1-52.2174.61730000109.9Q1060 N1061 R1066 R1067 D1068Q1060-V1064 PolarHBondContact O-N 3.32Å; Q1060-V1064 VanDerWaalsContact O-N 3.16Å; N1061-V1064 PolarHBondContact O-N 3.21Å; V1064-R1066 VanDerWaalsContact C-N 3.31Å; V1064-R1066 PolarHBondContact O-N 2.85Å; V1064-R1067 WeakPolarHBondContact O-CB 3.47Å; V1064-R1067 PolarHBondContact O-N 3.07Å; V1064-D1068 WeakPolarHBondContact CG1-OD2 3.39Å; V1064-D1068 PolarHBondContact O-N 3.02Å
1065F88.2Confident82.3Confident2 Ų253 Ų531%0.00925%0.25CS..Hα-helixtrans-49.5-48.9176.4172.1-99.7000112.4M987 I990 V991 C1038 F1039 L1042 N1061 L1062 R1067 D1068 V1069M987-F1065 HydrophobicContact CE-CZ 4.46Å; I990-F1065 HydrophobicContact CG2-CD1 4.28Å; I990-F1065 HydrophobicContact CG2-CE1 4.29Å; V991-F1065 HydrophobicContact CG2-CE1 3.87Å; V991-F1065 HydrophobicContact CG2-CZ 4.1Å; C1038-F1065 HydrophobicContact CB-CD2 3.88Å; C1038-F1065 HydrophobicContact CB-CE2 4.02Å; C1038-F1065 WeakPolarHBondContact O-CD2 3.31Å; F1039-F1065 AromaticContact CD1-CE2 3.85Å; F1039-F1065 HydrophobicContact CD1-CE2 3.85Å; F1039-F1065 HydrophobicContact CD1-CZ 4.02Å; F1039-F1065 HydrophobicContact CD2-CE2 4.04Å; F1039-F1065 HydrophobicContact CD2-CZ 4.39Å; F1039-F1065 HydrophobicContact CE1-CE2 4.05Å; F1039-F1065 AromaticContact CE1-CZ 3.73Å; F1039-F1065 HydrophobicContact CE1-CZ 3.73Å; F1039-F1065 HydrophobicContact CE2-CE2 4.2Å; F1039-F1065 HydrophobicContact CE2-CZ 4.1Å; F1039-F1065 AromaticContact CG-CE2 3.85Å; F1039-F1065 HydrophobicContact CG-CE2 3.85Å; F1039-F1065 HydrophobicContact CG-CZ 4.35Å; F1039-F1065 HydrophobicContact CZ-CE2 4.21Å; F1039-F1065 AromaticContact CZ-CZ 3.76Å; F1039-F1065 HydrophobicContact CZ-CZ 3.76Å; L1042-F1065 HydrophobicContact CB-CB 4.34Å; L1042-F1065 HydrophobicContact CB-CD2 3.94Å; L1042-F1065 HydrophobicContact CB-CG 4.23Å; L1042-F1065 HydrophobicContact CD1-CB 4.08Å; L1042-F1065 HydrophobicContact CD1-CG 4.24Å; L1042-F1065 HydrophobicContact CD2-CD1 4.42Å; L1042-F1065 HydrophobicContact CD2-CD2 4.29Å; L1042-F1065 HydrophobicContact CD2-CE1 4.48Å; L1042-F1065 HydrophobicContact CD2-CE2 4.35Å; L1042-F1065 HydrophobicContact CD2-CG 4.32Å; L1042-F1065 HydrophobicContact CD2-CZ 4.44Å; N1061-F1065 WeakPolarHBondContact O-CB 3.48Å; N1061-F1065 PolarHBondContact O-N 3.46Å; L1062-F1065 HydrophobicContact CD1-CD1 4.26Å; F1065-R1067 PolarHBondContact O-N 3.24Å; F1065-D1068 PolarHBondContact O-N 2.84Å; F1065-V1069 HydrophobicContact CD1-CG2 4.32Å; F1065-V1069 HydrophobicContact CD2-CG2 3.84Å; F1065-V1069 HydrophobicContact CE1-CG2 4.05Å; F1065-V1069 HydrophobicContact CE2-CG2 3.55Å; F1065-V1069 HydrophobicContact CG-CG2 4.23Å; F1065-V1069 HydrophobicContact CZ-CG2 3.67Å; F1065-V1069 WeakPolarHBondContact O-CB 3.03Å; F1065-V1069 WeakPolarHBondContact O-CG2 3.17Å; F1065-V1069 PolarHBondContact O-N 2.8Å
1066R81.8Confident80.4Confident54 Ų5459 Ų5920%0.20428%0.284CS..Hα-helixtrans-63.3-42.3-179.3-177178.3173.5-149.5-10.9112.2E993 D994 C995 L1062 V1064 A1070E993-R1066 PolarHBondContact O-NH2 3.21Å; D994-R1066 IonicContact OD1-CZ 2.76Å; D994-R1066 IonicContact OD1-NH2 3.59Å; D994-R1066 PolarHBondContact OD1-NH2 2.73Å; C995-R1066 PolarHBondContact O-NH1 2.98Å; C995-R1066 VanDerWaalsContact O-NH1 3.08Å; L1062-R1066 WeakPolarHBondContact O-CB 3.42Å; L1062-R1066 PolarHBondContact O-N 3.13Å; V1064-R1066 VanDerWaalsContact C-N 3.31Å; V1064-R1066 PolarHBondContact O-N 2.85Å; R1066-A1070 VanDerWaalsContact O-CB 3.22Å; R1066-A1070 WeakPolarHBondContact O-CB 3.37Å; R1066-A1070 PolarHBondContact O-N 3.5Å
1067R80.6Confident78.2Confident147 Ų14758.1 Ų58.156%0.55529%0.29SS*.Hα-helixtrans-63.4-49.7177.1180-171.962.7-146.9-2.2110.6S1063 V1064 F1065 V1069 A1070 E1071S1063-R1067 PolarHBondContact O-N 2.89Å; V1064-R1067 WeakPolarHBondContact O-CB 3.47Å; V1064-R1067 PolarHBondContact O-N 3.07Å; F1065-R1067 PolarHBondContact O-N 3.24Å; R1067-V1069 PolarHBondContact O-N 2.8Å; R1067-A1070 PolarHBondContact O-N 3.24Å; R1067-E1071 WeakPolarHBondContact O-CB 3.42Å; R1067-E1071 PolarHBondContact O-N 2.87Å
1068D85Confident75.5Confident15 Ų1561.6 Ų61.68%0.0831%0.31CS..Hα-helixtrans-68.4-38-175.5-57.2-5000111.1V1064 F1065 E1071 A1072V1064-D1068 WeakPolarHBondContact CG1-OD2 3.39Å; V1064-D1068 PolarHBondContact O-N 3.02Å; F1065-D1068 PolarHBondContact O-N 2.84Å; D1068-E1071 PolarHBondContact O-N 3.08Å; D1068-A1072 VanDerWaalsContact O-CB 3.32Å; D1068-A1072 WeakPolarHBondContact O-CB 3.43Å; D1068-A1072 PolarHBondContact O-N 3.43Å
1069V80.6Confident72.8Confident1 Ų165.5 Ų65.51%0.00633%0.334CS..Hα-helixtrans-65.4-43.7172.1169.30000111V991 L1035 C1038 F1065 R1067 E1071 A1072 L1073V991-V1069 HydrophobicContact CG1-CG1 4.07Å; L1035-V1069 HydrophobicContact CD2-CB 4.41Å; L1035-V1069 HydrophobicContact CD2-CG1 4.04Å; L1035-V1069 HydrophobicContact CD2-CG2 4.01Å; C1038-V1069 HydrophobicContact CB-CG2 3.85Å; F1065-V1069 HydrophobicContact CD1-CG2 4.32Å; F1065-V1069 HydrophobicContact CD2-CG2 3.84Å; F1065-V1069 HydrophobicContact CE1-CG2 4.05Å; F1065-V1069 HydrophobicContact CE2-CG2 3.55Å; F1065-V1069 HydrophobicContact CG-CG2 4.23Å; F1065-V1069 HydrophobicContact CZ-CG2 3.67Å; F1065-V1069 WeakPolarHBondContact O-CB 3.03Å; F1065-V1069 WeakPolarHBondContact O-CG2 3.17Å; F1065-V1069 PolarHBondContact O-N 2.8Å; R1067-V1069 PolarHBondContact O-N 2.8Å; V1069-E1071 VanDerWaalsContact C-N 3.27Å; V1069-E1071 PolarHBondContact O-N 3.45Å; V1069-A1072 PolarHBondContact O-N 3.26Å; V1069-L1073 HydrophobicContact CG1-CD1 3.73Å; V1069-L1073 HydrophobicContact CG1-CG 4.18Å; V1069-L1073 VanDerWaalsContact O-CB 3.29Å; V1069-L1073 WeakPolarHBondContact O-CB 3.32Å; V1069-L1073 WeakPolarHBondContact O-CG 3.31Å; V1069-L1073 PolarHBondContact O-N 3.37Å
1070A74.6Confident70.3Confident38 Ų3871.2 Ų71.231%0.31436%0.364SS..Hα-helixtrans-62.1-37.5176.400000111.7R1066 R1067 R1074R1066-A1070 VanDerWaalsContact O-CB 3.22Å; R1066-A1070 WeakPolarHBondContact O-CB 3.37Å; R1066-A1070 PolarHBondContact O-N 3.5Å; R1067-A1070 PolarHBondContact O-N 3.24Å; A1070-R1074 WeakPolarHBondContact O-CB 3.48Å; A1070-R1074 WeakPolarHBondContact O-CG 3.41Å; A1070-R1074 PolarHBondContact O-N 3.29Å; A1070-R1074 VanDerWaalsContact O-N 3.13Å
1071E75.1Confident67.9Low122 Ų12270 Ų7057%0.5736%0.361SS*.Hα-helixtrans-68.7-47.8175.3-170.5167.4-172.200111.9R1067 D1068 V1069 L1073 R1074 S1075R1067-E1071 WeakPolarHBondContact O-CB 3.42Å; R1067-E1071 PolarHBondContact O-N 2.87Å; D1068-E1071 PolarHBondContact O-N 3.08Å; V1069-E1071 VanDerWaalsContact C-N 3.27Å; V1069-E1071 PolarHBondContact O-N 3.45Å; E1071-L1073 VanDerWaalsContact C-N 3.29Å; E1071-L1073 PolarHBondContact O-N 2.82Å; E1071-R1074 CarbonylContact O-C 3.38Å; E1071-R1074 PolarHBondContact O-N 3.07Å; E1071-S1075 PolarHBondContact O-N 2.8Å; E1071-S1075 PolarHBondContact O-OG 3.45Å
1072A73.6Confident65.3Low7 Ų773.6 Ų73.66%0.05839%0.387CS..Hα-helixtrans-61.3-35.7175.800000112.7K1031 V1034 L1035 D1068 V1069 R1074 S1075K1031-A1072 WeakPolarHBondContact CD-O 3.49Å; K1031-A1072 WeakPolarHBondContact CE-O 3.26Å; K1031-A1072 PolarHBondContact NZ-O 3Å; V1034-A1072 HydrophobicContact CG1-CB 3.78Å; L1035-A1072 HydrophobicContact CD2-CB 4.5Å; D1068-A1072 VanDerWaalsContact O-CB 3.32Å; D1068-A1072 WeakPolarHBondContact O-CB 3.43Å; D1068-A1072 PolarHBondContact O-N 3.43Å; V1069-A1072 PolarHBondContact O-N 3.26Å; A1072-R1074 VanDerWaalsContact C-N 3.33Å; A1072-S1075 PolarHBondContact O-OG 2.96Å
1073L69.9Low62.8Low40 Ų4077.3 Ų77.321%0.20941%0.413CS..Hα-helixtrans-72-27.5175.5-70.8175.6000112.3Q1027 K1031 V1069 E1071Q1027-L1073 HydrophobicContact CG-CD2 4.45Å; K1031-L1073 PolarHBondContact NZ-O 3.44Å; V1069-L1073 HydrophobicContact CG1-CD1 3.73Å; V1069-L1073 HydrophobicContact CG1-CG 4.18Å; V1069-L1073 VanDerWaalsContact O-CB 3.29Å; V1069-L1073 WeakPolarHBondContact O-CB 3.32Å; V1069-L1073 WeakPolarHBondContact O-CG 3.31Å; V1069-L1073 PolarHBondContact O-N 3.37Å; E1071-L1073 VanDerWaalsContact C-N 3.29Å; E1071-L1073 PolarHBondContact O-N 2.82Å
1074R66.3Low60.3Low211 Ų21178.2 Ų78.280%0.79641%0.413SS*.Hα-helixtrans-85.5-30.6176.8-75.7173.5-177.7-177.92.2114.2A1070 E1071 A1072A1070-R1074 WeakPolarHBondContact O-CB 3.48Å; A1070-R1074 WeakPolarHBondContact O-CG 3.41Å; A1070-R1074 PolarHBondContact O-N 3.29Å; A1070-R1074 VanDerWaalsContact O-N 3.13Å; E1071-R1074 CarbonylContact O-C 3.38Å; E1071-R1074 PolarHBondContact O-N 3.07Å; A1072-R1074 VanDerWaalsContact C-N 3.33Å
1075S53.9Low57.8Low31 Ų3182.3 Ų82.322%0.21743%0.433CS..SBendtrans-71.9131.2-175.861.40000112.1K1031 E1071 A1072 G1077K1031-S1075 WeakPolarHBondContact CE-O 3.45Å; K1031-S1075 PolarHBondContact NZ-O 3.43Å; E1071-S1075 PolarHBondContact O-N 2.8Å; E1071-S1075 PolarHBondContact O-OG 3.45Å; A1072-S1075 PolarHBondContact O-OG 2.96Å; S1075-G1077 VanDerWaalsContact C-N 3.32Å; S1075-G1077 PolarHBondContact O-N 2.86Å; S1075-G1077 VanDerWaalsContact O-N 3.1Å
1076D50Low55.3Low152 Ų15290 Ų9081%0.81347%0.471SS*.  trans-81.279.6171.2-76.3-29.8000109.3H1078D1076-H1078 PolarHBondContact O-N 3.38Å
1077G43.7Very low52.8Low43 Ų4396.2 Ų96.244%0.44351%0.505SS..SBendtrans64.4-8.7155.400000120.2S1075S1075-G1077 VanDerWaalsContact C-N 3.32Å; S1075-G1077 PolarHBondContact O-N 2.86Å; S1075-G1077 VanDerWaalsContact O-N 3.1Å
1078H35.6Very low50.4Low179 Ų17997.5 Ų97.583%0.82954%0.536SS*.  trans-125.181.5-176.3-67.7-63.8000111.8D1076D1076-H1078 PolarHBondContact O-N 3.38Å
1079T35.7Very low48.6Very low81 Ų81101.7 Ų101.750%0.49756%0.559SS.*  trans-135.6115165.738.20000109.3L1081T1079-L1081 PolarHBondContact O-N 3.02Å
1080D37.1Very low47Very low137 Ų137106.9 Ų106.973%0.73359%0.588SS**  trans-59127.7172.6-77.1-43.3000110.2S1082 S1083D1080-S1082 PolarHBondContact O-N 2.84Å; D1080-S1083 PolarHBondContact O-N 3.38Å; D1080-S1083 PolarHBondContact O-OG 3.18Å
1081L39.1Very low45.4Very low90 Ų90110.8 Ų110.847%0.47160%0.604SS.*G310 helixtrans-54.7-16.6-178.4-81.7138.9000114.4T1079 S1083T1079-L1081 PolarHBondContact O-N 3.02Å; L1081-S1083 VanDerWaalsContact C-N 3.3Å; L1081-S1083 PolarHBondContact O-N 3.11Å
1082S38.1Very low43.7Very low90 Ų90110.1 Ų110.163%0.62961%0.606SS**G310 helixtrans-71-15.3-17753.30000115.2D1080D1080-S1082 PolarHBondContact O-N 2.84Å
1083S37.1Very low41.8Very low78 Ų78116.6 Ų116.655%0.54564%0.64SS.*G310 helixtrans-81.6-17.5-179.559.80000114.3D1080 L1081D1080-S1083 PolarHBondContact O-N 3.38Å; D1080-S1083 PolarHBondContact O-OG 3.18Å; L1081-S1083 VanDerWaalsContact C-N 3.3Å; L1081-S1083 PolarHBondContact O-N 3.11Å
1084L33Very low39.9Very low73 Ų73121.7 Ų121.738%0.38267%0.668SS.*THydrogen-bonded Turntrans-81.9-27-177.8-82156000113.3V1034V1034-L1084 HydrophobicContact CG1-CD1 4.49Å
1085D34.9Very low38Very low138 Ų138115.3 Ų115.374%0.73866%0.659SS**THydrogen-bonded Turntrans-82.1-8.9-179.5-84.2-15000114.3
1086M35.1Very low36.8Very low164 Ų164121.8 Ų121.881%0.80869%0.693SS**THydrogen-bonded Turntrans-98.813.5-178.4-78.5-146.1-73.400115.3
1087M29.8Very low35.7Very low183 Ų183119.3 Ų119.390%0.90168%0.683SS**  trans-125.956.5170.4-65.7-154.4-157.100112.4
1088S29.7Very low35Very low175 Ų175126.2 Ų126.2100%1.22471%0.705SS**  trans-102.70150.268.80000108.6

Retrieved 1,088 of 1,088 residues in 2310 ms (Link to these results)

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