A0A5K4F3K7_SCHMA Loading...

TIR domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3K7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 420 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.3Low80.2Confident208 Ų20885 Ų85100%1.02543%0.432SS*.  0-42.40-68-168.3179.100113L3 T4 S5M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.41Å; M1-T4 PolarHBondContact O-N 3.05Å; M1-T4 PolarHBondContact O-OG1 3.17Å; M1-S5 PolarHBondContact O-N 2.84Å; M1-S5 PolarHBondContact O-OG 3.42Å
2Q81.4Confident80.5Confident171 Ų17183.8 Ų83.880%0.79945%0.445SS*.Hα-helixtrans-58.8-37.8-179.3-69.9176.6-11.400114.8S5 W6Q2-S5 PolarHBondContact O-OG 3.42Å; Q2-W6 WeakPolarHBondContact O-CB 3.4Å; Q2-W6 PolarHBondContact O-N 3.02Å
3L79.8Confident80.6Confident97 Ų9787.2 Ų87.251%0.50846%0.463SS..Hα-helixtrans-70.1-40.4179.3-177.464.6000112.7M1 W6 L7 L35M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.41Å; L3-W6 HydrophobicContact CD1-CE3 3.95Å; L3-W6 HydrophobicContact CD1-CZ3 4.43Å; L3-W6 PolarHBondContact O-N 3.38Å; L3-L7 HydrophobicContact CD1-CD1 4.36Å; L3-L7 HydrophobicContact CD1-CG 4.26Å; L3-L7 HydrophobicContact CG-CD1 4.07Å; L3-L7 HydrophobicContact CG-CG 4.4Å; L3-L7 WeakPolarHBondContact O-CB 3.42Å; L3-L7 VanDerWaalsContact O-CG 3.32Å; L3-L7 WeakPolarHBondContact O-CG 3.26Å; L3-L7 PolarHBondContact O-N 3.11Å; L3-L35 HydrophobicContact CD2-CD1 3.88Å; L3-L35 HydrophobicContact CG-CD1 4.19Å
4T80.2Confident80.6Confident32 Ų3288.4 Ų88.420%0.19647%0.465CS..Hα-helixtrans-68.6-40.5-178.847.20000111.6M1 S8 L35M1-T4 PolarHBondContact O-N 3.05Å; M1-T4 PolarHBondContact O-OG1 3.17Å; T4-S8 WeakPolarHBondContact O-CB 3.3Å; T4-S8 PolarHBondContact O-N 3.18Å; T4-S8 VanDerWaalsContact O-N 3.08Å; T4-S8 PolarHBondContact O-OG 3.38Å; T4-L35 HydrophobicContact CG2-CB 3.55Å; T4-L35 HydrophobicContact CG2-CD1 4Å; T4-L35 HydrophobicContact CG2-CG 4.35Å
5S83.4Confident80.3Confident59 Ų5985.3 Ų85.341%0.41346%0.457SS..Hα-helixtrans-63.6-47.9172.263.50000110.7M1 Q2 L7 S8 D9M1-S5 PolarHBondContact O-N 2.84Å; M1-S5 PolarHBondContact O-OG 3.42Å; Q2-S5 PolarHBondContact O-OG 3.42Å; S5-L7 PolarHBondContact O-N 2.93Å; S5-S8 PolarHBondContact O-N 3.03Å; S5-D9 WeakPolarHBondContact O-CB 3.46Å; S5-D9 PolarHBondContact O-N 3.45Å
6W83.8Confident79.9Confident147 Ų14787 Ų8756%0.55747%0.471SS*.Hα-helixtrans-59.2-42.3179177.880.6000113.1Q2 L3 D9 T10Q2-W6 WeakPolarHBondContact O-CB 3.4Å; Q2-W6 PolarHBondContact O-N 3.02Å; L3-W6 HydrophobicContact CD1-CE3 3.95Å; L3-W6 HydrophobicContact CD1-CZ3 4.43Å; L3-W6 PolarHBondContact O-N 3.38Å; W6-D9 PolarHBondContact O-N 3.37Å; W6-T10 VanDerWaalsContact O-CB 3.26Å; W6-T10 WeakPolarHBondContact O-CB 3.47Å; W6-T10 PolarHBondContact O-N 2.93Å; W6-T10 PolarHBondContact O-OG1 2.99Å
7L82.6Confident79.4Confident12 Ų1284.8 Ų84.86%0.06347%0.468CS..Hα-helixtrans-64.6-44.7176.7-75.4171.5000111.3L3 S5 T10 M11 I28 I31 L35L3-L7 HydrophobicContact CD1-CD1 4.36Å; L3-L7 HydrophobicContact CD1-CG 4.26Å; L3-L7 HydrophobicContact CG-CD1 4.07Å; L3-L7 HydrophobicContact CG-CG 4.4Å; L3-L7 WeakPolarHBondContact O-CB 3.42Å; L3-L7 VanDerWaalsContact O-CG 3.32Å; L3-L7 WeakPolarHBondContact O-CG 3.26Å; L3-L7 PolarHBondContact O-N 3.11Å; S5-L7 PolarHBondContact O-N 2.93Å; L7-T10 PolarHBondContact O-N 3.23Å; L7-M11 VanDerWaalsContact O-CG 3.28Å; L7-M11 WeakPolarHBondContact O-CG 3.45Å; L7-M11 PolarHBondContact O-N 3.31Å; L7-I28 HydrophobicContact CD2-CG2 4.16Å; L7-I31 HydrophobicContact CD1-CG2 3.89Å; L7-L35 HydrophobicContact CD1-CD1 3.64Å
8S83.8Confident79.1Confident48 Ų4880.9 Ų80.934%0.33645%0.446SS..Hα-helixtrans-62.5-43.7178.3-57.70000111.3T4 S5 M11 A12T4-S8 WeakPolarHBondContact O-CB 3.3Å; T4-S8 PolarHBondContact O-N 3.18Å; T4-S8 VanDerWaalsContact O-N 3.08Å; T4-S8 PolarHBondContact O-OG 3.38Å; S5-S8 PolarHBondContact O-N 3.03Å; S8-M11 PolarHBondContact O-N 3.42Å; S8-A12 WeakPolarHBondContact O-CB 3.25Å; S8-A12 PolarHBondContact O-N 2.89Å
9D84Confident78.7Confident88 Ų8883.9 Ų83.947%0.47146%0.456SS..Hα-helixtrans-64.5-41.4175.6-67.1-22.3000111.5S5 W6 M11 A12 N13S5-D9 WeakPolarHBondContact O-CB 3.46Å; S5-D9 PolarHBondContact O-N 3.45Å; W6-D9 PolarHBondContact O-N 3.37Å; D9-M11 VanDerWaalsContact C-N 3.35Å; D9-M11 PolarHBondContact O-N 2.99Å; D9-A12 PolarHBondContact O-N 3.47Å; D9-N13 VanDerWaalsContact O-CB 3.26Å; D9-N13 WeakPolarHBondContact O-CB 3.36Å; D9-N13 VanDerWaalsContact O-CG 3.26Å; D9-N13 PolarHBondContact O-N 3.49Å; D9-N13 PolarHBondContact O-ND2 3.21Å
10T81.3Confident78.7Confident26 Ų2684.4 Ų84.416%0.1647%0.466CS..Hα-helixtrans-62.8-43.6177.4-61.60000110.6W6 L7 H14W6-T10 VanDerWaalsContact O-CB 3.26Å; W6-T10 WeakPolarHBondContact O-CB 3.47Å; W6-T10 PolarHBondContact O-N 2.93Å; W6-T10 PolarHBondContact O-OG1 2.99Å; L7-T10 PolarHBondContact O-N 3.23Å; T10-H14 VanDerWaalsContact O-CB 3.3Å; T10-H14 WeakPolarHBondContact O-CB 3.25Å; T10-H14 PolarHBondContact O-N 3.46Å
11M81.9Confident79.1Confident47 Ų4787.5 Ų87.523%0.23247%0.472CS..Hα-helixtrans-64-39.7176.4-71.4178.76900112.2L7 S8 D9 A15 L18 I28 E29 N32L7-M11 VanDerWaalsContact O-CG 3.28Å; L7-M11 WeakPolarHBondContact O-CG 3.45Å; L7-M11 PolarHBondContact O-N 3.31Å; S8-M11 PolarHBondContact O-N 3.42Å; D9-M11 VanDerWaalsContact C-N 3.35Å; D9-M11 PolarHBondContact O-N 2.99Å; M11-A15 WeakPolarHBondContact O-CA 3.42Å; M11-A15 WeakPolarHBondContact O-CB 3.5Å; M11-A15 PolarHBondContact O-N 3.08Å; M11-L18 HydrophobicContact CG-CD1 4.39Å; M11-I28 HydrophobicContact CG-CG2 3.68Å; M11-I28 HydrophobicContact SD-CG2 3.79Å; M11-E29 HydrophobicContact CE-CB 4.42Å; M11-E29 HydrophobicContact CE-CG 3.44Å; M11-E29 VanDerWaalsContact CE-CG 3.44Å; M11-N32 HydrophobicContact SD-CB 4.24Å
12A83.3Confident80.5Confident71 Ų7183.6 Ų83.659%0.58745%0.449SS*.Hα-helixtrans-70.2-46.9178.200000112.4S8 D9S8-A12 WeakPolarHBondContact O-CB 3.25Å; S8-A12 PolarHBondContact O-N 2.89Å; D9-A12 PolarHBondContact O-N 3.47Å
13N81.8Confident81Confident127 Ų12776 Ų7668%0.67942%0.415SS*.Hα-helixtrans-78.9-29.5-173.9-67.9-38.3000113.3D9D9-N13 VanDerWaalsContact O-CB 3.26Å; D9-N13 WeakPolarHBondContact O-CB 3.36Å; D9-N13 VanDerWaalsContact O-CG 3.26Å; D9-N13 PolarHBondContact O-N 3.49Å; D9-N13 PolarHBondContact O-ND2 3.21Å
14H80.4Confident81.5Confident105 Ų10575.1 Ų75.149%0.48641%0.41SS..THydrogen-bonded Turntrans-110.221-178.4-60-72.7000113.2T10 V16 A17 L18T10-H14 VanDerWaalsContact O-CB 3.3Å; T10-H14 WeakPolarHBondContact O-CB 3.25Å; T10-H14 PolarHBondContact O-N 3.46Å; H14-V16 PolarHBondContact O-N 3.5Å; H14-V16 VanDerWaalsContact O-N 3.15Å; H14-A17 HydrophobicContact CB-CB 4.42Å; H14-A17 PolarHBondContact O-N 2.85Å; H14-L18 PolarHBondContact O-N 2.63Å
15A76.2Confident82Confident42 Ų4274.5 Ų74.535%0.34741%0.407SS..Hα-helixtrans-50.1-43-179.600000112.8M11 L18 Q19M11-A15 WeakPolarHBondContact O-CA 3.42Å; M11-A15 WeakPolarHBondContact O-CB 3.5Å; M11-A15 PolarHBondContact O-N 3.08Å; A15-L18 PolarHBondContact O-N 2.69Å; A15-Q19 VanDerWaalsContact O-CG 3.26Å; A15-Q19 WeakPolarHBondContact O-CG 3.49Å; A15-Q19 PolarHBondContact O-N 3.26Å
16V73.5Confident82.4Confident112 Ų11272.4 Ų72.468%0.67939%0.39SS*.Hα-helixtrans-66.4-40.7179-178.10000112.2H14 Q19H14-V16 PolarHBondContact O-N 3.5Å; H14-V16 VanDerWaalsContact O-N 3.15Å; V16-Q19 PolarHBondContact O-N 2.72Å
17A73Confident82.8Confident50 Ų5066.1 Ų66.141%0.41337%0.37SS..Hα-helixtrans-68.9-41.617700000110.9H14 Q19 S20 Y21H14-A17 HydrophobicContact CB-CB 4.42Å; H14-A17 PolarHBondContact O-N 2.85Å; A17-Q19 VanDerWaalsContact C-N 3.3Å; A17-Q19 PolarHBondContact O-N 3.17Å; A17-S20 VanDerWaalsContact O-CB 3.27Å; A17-S20 WeakPolarHBondContact O-CB 3.37Å; A17-S20 PolarHBondContact O-N 3.35Å; A17-Y21 WeakPolarHBondContact O-CD2 3.45Å; A17-Y21 PolarHBondContact O-N 2.8Å
18L73.5Confident83.1Confident15 Ų1566.8 Ų66.88%0.07937%0.373CS..Hα-helixtrans-66.6-29.7177.9-72172.7000112.9M11 H14 A15 S20 Y21 K22 L24 I28M11-L18 HydrophobicContact CG-CD1 4.39Å; H14-L18 PolarHBondContact O-N 2.63Å; A15-L18 PolarHBondContact O-N 2.69Å; L18-S20 PolarHBondContact O-N 3.3Å; L18-Y21 CarbonylContact O-C 3.43Å; L18-Y21 PolarHBondContact O-N 3.49Å; L18-K22 PolarHBondContact O-N 3.48Å; L18-L24 HydrophobicContact CD2-CD2 4.45Å; L18-L24 HydrophobicContact CD2-CG 4.42Å; L18-I28 HydrophobicContact CD2-CD1 3.93Å
19Q71.9Confident83.4Confident137 Ų13766.9 Ų66.964%0.6437%0.368SS*.Hα-helixtrans-59.4-29170.1-77.6171.98.800112.6A15 V16 A17 Y21A15-Q19 VanDerWaalsContact O-CG 3.26Å; A15-Q19 WeakPolarHBondContact O-CG 3.49Å; A15-Q19 PolarHBondContact O-N 3.26Å; V16-Q19 PolarHBondContact O-N 2.72Å; A17-Q19 VanDerWaalsContact C-N 3.3Å; A17-Q19 PolarHBondContact O-N 3.17Å; Q19-Y21 VanDerWaalsContact C-N 3.34Å
20S78.7Confident83.7Confident93 Ų9363 Ų6365%0.6535%0.348SS*.Hα-helixtrans-77.4-22.2175.1-540000112.5A17 L18A17-S20 VanDerWaalsContact O-CB 3.27Å; A17-S20 WeakPolarHBondContact O-CB 3.37Å; A17-S20 PolarHBondContact O-N 3.35Å; L18-S20 PolarHBondContact O-N 3.3Å
21Y87.1Confident84Confident151 Ų15165.5 Ų65.559%0.59236%0.36SS*.  trans-121.665.8-179.9-61.4-77.2000110.9A17 L18 Q19 S23 L24 S25A17-Y21 WeakPolarHBondContact O-CD2 3.45Å; A17-Y21 PolarHBondContact O-N 2.8Å; L18-Y21 CarbonylContact O-C 3.43Å; L18-Y21 PolarHBondContact O-N 3.49Å; Q19-Y21 VanDerWaalsContact C-N 3.34Å; Y21-S23 PolarHBondContact O-N 3.1Å; Y21-S23 VanDerWaalsContact O-N 3.14Å; Y21-L24 PolarHBondContact O-N 3.06Å; Y21-S25 PolarHBondContact O-N 2.81Å
22K89.1Confident84.3Confident125 Ų12564.5 Ų64.554%0.54336%0.355SS..Hα-helixtrans-52.8-38.1-175.3-64.8-176.8-178.9178.10113.9L18 S25 R26 I89L18-K22 PolarHBondContact O-N 3.48Å; K22-S25 PolarHBondContact O-N 3.41Å; K22-R26 WeakPolarHBondContact O-CB 3.47Å; K22-R26 PolarHBondContact O-N 3.09Å; K22-I89 HydrophobicContact CB-CD1 4.34Å; K22-I89 HydrophobicContact CB-CG1 3.95Å
23S91.5Very high84.5Confident11 Ų1164 Ų648%0.07734%0.338CS..Hα-helixtrans-62.8-47.6177.657.80000112.1Y21 R26 A27 D93 T97Y21-S23 PolarHBondContact O-N 3.1Å; Y21-S23 VanDerWaalsContact O-N 3.14Å; S23-R26 PolarHBondContact O-N 3.11Å; S23-A27 PolarHBondContact O-N 3.36Å; S23-D93 WeakPolarHBondContact CB-O 3.45Å; S23-T97 WeakPolarHBondContact CB-OG1 3.32Å; S23-T97 WeakPolarHBondContact OG-CG2 3.4Å
24L90.7Very high84.7Confident80 Ų8061.9 Ų61.942%0.41932%0.324SS..Hα-helixtrans-66-41.9176.9-17861.2000111.1L18 Y21 R26 A27 I28 T97L18-L24 HydrophobicContact CD2-CD2 4.45Å; L18-L24 HydrophobicContact CD2-CG 4.42Å; Y21-L24 PolarHBondContact O-N 3.06Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 2.83Å; L24-A27 PolarHBondContact O-N 3.37Å; L24-I28 HydrophobicContact CD1-CD1 4.08Å; L24-I28 HydrophobicContact CD1-CG1 4.29Å; L24-I28 HydrophobicContact CG-CD1 3.88Å; L24-I28 HydrophobicContact CG-CG1 4.49Å; L24-I28 WeakPolarHBondContact O-CG1 3.48Å; L24-I28 PolarHBondContact O-N 3.42Å; L24-T97 HydrophobicContact CB-CG2 4.47Å
25S90.2Very high84.9Confident19 Ų1960.7 Ų60.713%0.13332%0.321CS..Hα-helixtrans-55.4-49.6174.1-166.80000111.1Y21 K22 A27 I28 E29Y21-S25 PolarHBondContact O-N 2.81Å; K22-S25 PolarHBondContact O-N 3.41Å; S25-A27 VanDerWaalsContact C-N 3.34Å; S25-A27 PolarHBondContact O-N 2.97Å; S25-I28 PolarHBondContact O-N 3.13Å; S25-E29 WeakPolarHBondContact O-CB 3.5Å; S25-E29 VanDerWaalsContact O-CG 3.29Å; S25-E29 WeakPolarHBondContact O-CG 3.48Å; S25-E29 PolarHBondContact O-N 2.66Å; S25-E29 PolarHBondContact OG-OE1 2.85Å
26R92.4Very high85.2Confident14 Ų1463.2 Ų63.25%0.05333%0.328CS..Hα-helixtrans-63.3-38.2179.5-175.660.660.77811.6112.8K22 S23 L24 E29 S30 I89 L99 A103 A106 T107 N108 W112K22-R26 WeakPolarHBondContact O-CB 3.47Å; K22-R26 PolarHBondContact O-N 3.09Å; S23-R26 PolarHBondContact O-N 3.11Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 2.83Å; R26-E29 IonicContact NE-OE2 2.77Å; R26-E29 PolarHBondContact NE-OE2 2.71Å; R26-S30 PolarHBondContact O-N 2.92Å; R26-S30 VanDerWaalsContact O-N 3.08Å; R26-I89 HydrophobicContact CB-CD1 4.13Å; R26-L99 HydrophobicContact CB-CD1 4.05Å; R26-L99 HydrophobicContact CB-CD2 4.37Å; R26-L99 HydrophobicContact CG-CD1 4.12Å; R26-L99 HydrophobicContact CG-CD2 3.99Å; R26-A103 PolarHBondContact NH1-O 2.92Å; R26-A106 PolarHBondContact NH1-O 2.9Å; R26-A106 PolarHBondContact NH2-O 3.28Å; R26-T107 VanDerWaalsContact NH2-C 3.33Å; R26-T107 PolarHBondContact NH2-O 3.12Å; R26-N108 PolarHBondContact NH1-O 2.82Å; R26-N108 VanDerWaalsContact NH2-CA 3.25Å; R26-W112 HydrophobicContact CG-CE3 4.4Å; R26-W112 HydrophobicContact CG-CZ3 4.43Å
27A91.2Very high85.4Confident16 Ų1660.3 Ų60.313%0.13231%0.311CS..Hα-helixtrans-65.7-43.7176.300000111.4S23 L24 S25 S30 I31 L99S23-A27 PolarHBondContact O-N 3.36Å; L24-A27 PolarHBondContact O-N 3.37Å; S25-A27 VanDerWaalsContact C-N 3.34Å; S25-A27 PolarHBondContact O-N 2.97Å; A27-S30 PolarHBondContact O-N 3.17Å; A27-I31 WeakPolarHBondContact O-CG1 3.47Å; A27-I31 PolarHBondContact O-N 3.11Å; A27-L99 HydrophobicContact CB-CD2 4.24Å
28I89.9Confident85.2Confident25 Ų2563.9 Ų63.913%0.12833%0.332CS..Hα-helixtrans-64.4-43.5176.3-69.5170.1000111L7 M11 L18 L24 S25 S30 I31 N32L7-I28 HydrophobicContact CD2-CG2 4.16Å; M11-I28 HydrophobicContact CG-CG2 3.68Å; M11-I28 HydrophobicContact SD-CG2 3.79Å; L18-I28 HydrophobicContact CD2-CD1 3.93Å; L24-I28 HydrophobicContact CD1-CD1 4.08Å; L24-I28 HydrophobicContact CD1-CG1 4.29Å; L24-I28 HydrophobicContact CG-CD1 3.88Å; L24-I28 HydrophobicContact CG-CG1 4.49Å; L24-I28 WeakPolarHBondContact O-CG1 3.48Å; L24-I28 PolarHBondContact O-N 3.42Å; S25-I28 PolarHBondContact O-N 3.13Å; I28-S30 VanDerWaalsContact C-N 3.26Å; I28-S30 PolarHBondContact O-N 3.2Å; I28-I31 PolarHBondContact O-N 3.06Å; I28-N32 WeakPolarHBondContact O-CB 3.43Å; I28-N32 PolarHBondContact O-N 3Å
29E89.2Confident84.8Confident51 Ų5165.8 Ų65.824%0.23834%0.341CS..Hα-helixtrans-54.1-45.1173.8-76.8160.1-153.400111.1M11 S25 R26 N32 W33 H109M11-E29 HydrophobicContact CE-CB 4.42Å; M11-E29 HydrophobicContact CE-CG 3.44Å; M11-E29 VanDerWaalsContact CE-CG 3.44Å; S25-E29 WeakPolarHBondContact O-CB 3.5Å; S25-E29 VanDerWaalsContact O-CG 3.29Å; S25-E29 WeakPolarHBondContact O-CG 3.48Å; S25-E29 PolarHBondContact O-N 2.66Å; S25-E29 PolarHBondContact OG-OE1 2.85Å; R26-E29 IonicContact NE-OE2 2.77Å; R26-E29 PolarHBondContact NE-OE2 2.71Å; E29-N32 PolarHBondContact O-N 3.4Å; E29-W33 VanDerWaalsContact O-CB 3.29Å; E29-W33 WeakPolarHBondContact O-CB 3.47Å; E29-W33 PolarHBondContact O-N 3.25Å; E29-H109 HydrophobicContact CB-CB 4.03Å; E29-H109 WeakPolarHBondContact OE2-CB 3.2Å
30S90.2Very high84.4Confident5 Ų562.3 Ų62.34%0.03533%0.332CS..Hα-helixtrans-65.8-44.3178.5-167.80000112.9R26 A27 I28 N32 W33 Q34 H109R26-S30 PolarHBondContact O-N 2.92Å; R26-S30 VanDerWaalsContact O-N 3.08Å; A27-S30 PolarHBondContact O-N 3.17Å; I28-S30 VanDerWaalsContact C-N 3.26Å; I28-S30 PolarHBondContact O-N 3.2Å; S30-N32 VanDerWaalsContact C-N 3.35Å; S30-N32 PolarHBondContact O-N 3.35Å; S30-W33 PolarHBondContact O-N 3.03Å; S30-Q34 WeakPolarHBondContact O-CB 3.27Å; S30-Q34 WeakPolarHBondContact O-CG 3.17Å; S30-Q34 PolarHBondContact O-N 2.78Å; S30-Q34 PolarHBondContact OG-NE2 2.81Å; S30-Q34 VanDerWaalsContact OG-NE2 3.15Å; S30-H109 WeakPolarHBondContact CA-NE2 3.47Å
31I89Confident83.4Confident80 Ų8063.9 Ų63.941%0.4133%0.327SS..Hα-helixtrans-61.7-46.4176.1-65.9164.6000110L7 A27 I28 W33 Q34 L35L7-I31 HydrophobicContact CD1-CG2 3.89Å; A27-I31 WeakPolarHBondContact O-CG1 3.47Å; A27-I31 PolarHBondContact O-N 3.11Å; I28-I31 PolarHBondContact O-N 3.06Å; I31-W33 VanDerWaalsContact C-N 3.33Å; I31-W33 PolarHBondContact O-N 3.09Å; I31-Q34 PolarHBondContact O-N 3.24Å; I31-L35 HydrophobicContact CG2-CD1 3.99Å; I31-L35 HydrophobicContact CG2-CG 4.47Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.36Å; I31-L35 PolarHBondContact O-N 2.99Å
32N87.9Confident81.6Confident26 Ų2664 Ų6414%0.13934%0.338CS..Hα-helixtrans-62.3-42.7178.8-168.539.3000111.2M11 I28 E29 S30 L35 N36M11-N32 HydrophobicContact SD-CB 4.24Å; I28-N32 WeakPolarHBondContact O-CB 3.43Å; I28-N32 PolarHBondContact O-N 3Å; E29-N32 PolarHBondContact O-N 3.4Å; S30-N32 VanDerWaalsContact C-N 3.35Å; S30-N32 PolarHBondContact O-N 3.35Å; N32-L35 PolarHBondContact O-N 3Å; N32-N36 PolarHBondContact O-N 2.76Å; N32-N36 VanDerWaalsContact O-N 3.17Å; N32-N36 PolarHBondContact O-ND2 3.01Å; N32-N36 PolarHBondContact OD1-ND2 3.19Å
33W86.6Confident79.9Confident60 Ų6062.5 Ų62.523%0.22734%0.344CS..Hα-helixtrans-62.8-44.7176.9-176.690.2000112.2E29 S30 I31 L35 N36 T37 H109 V113 W138 H142E29-W33 VanDerWaalsContact O-CB 3.29Å; E29-W33 WeakPolarHBondContact O-CB 3.47Å; E29-W33 PolarHBondContact O-N 3.25Å; S30-W33 PolarHBondContact O-N 3.03Å; I31-W33 VanDerWaalsContact C-N 3.33Å; I31-W33 PolarHBondContact O-N 3.09Å; W33-L35 VanDerWaalsContact C-N 3.31Å; W33-L35 PolarHBondContact O-N 2.69Å; W33-N36 PolarHBondContact O-N 3.25Å; W33-T37 VanDerWaalsContact CE2-OG1 3.3Å; W33-T37 HydrophobicContact CH2-CG2 3.82Å; W33-T37 HydrophobicContact CZ2-CG2 3.68Å; W33-T37 HydrophobicContact CZ3-CG2 4.39Å; W33-T37 PolarHBondContact NE1-OG1 3.04Å; W33-T37 WeakPolarHBondContact O-CB 3.41Å; W33-T37 PolarHBondContact O-N 3.17Å; W33-T37 PolarHBondContact O-OG1 3.24Å; W33-H109 VanDerWaalsContact CB-CE1 3.4Å; W33-H109 WeakPolarHBondContact CB-CE1 3.14Å; W33-H109 AromaticContact CD1-CE1 3.66Å; W33-H109 AromaticContact CD2-CE1 3.77Å; W33-H109 AromaticContact CG-CE1 3.29Å; W33-V113 HydrophobicContact CD2-CG2 4.49Å; W33-V113 HydrophobicContact CH2-CG1 4.38Å; W33-V113 HydrophobicContact CZ2-CG1 3.93Å; W33-V113 HydrophobicContact CZ2-CG2 4.38Å; W33-W138 AromaticContact CE3-CZ2 3.94Å; W33-W138 HydrophobicContact CE3-CZ2 3.94Å; W33-W138 HydrophobicContact CH2-CZ2 4.14Å; W33-W138 AromaticContact CZ3-CE2 3.97Å; W33-W138 AromaticContact CZ3-CZ2 3.57Å; W33-W138 HydrophobicContact CZ3-CZ2 3.57Å; W33-W138 AromaticContact CZ3-NE1 3.73Å; W33-H142 AromaticContact CH2-CE1 3.52Å; W33-H142 AromaticContact CH2-ND1 3.96Å
34Q86Confident78.4Confident83 Ų8366.9 Ų66.939%0.38836%0.361SS..Hα-helixtrans-61.8-38177.6-73.817137.600112.5S30 I31 N36 W138S30-Q34 WeakPolarHBondContact O-CB 3.27Å; S30-Q34 WeakPolarHBondContact O-CG 3.17Å; S30-Q34 PolarHBondContact O-N 2.78Å; S30-Q34 PolarHBondContact OG-NE2 2.81Å; S30-Q34 VanDerWaalsContact OG-NE2 3.15Å; I31-Q34 PolarHBondContact O-N 3.24Å; Q34-N36 VanDerWaalsContact C-N 3.32Å; Q34-W138 VanDerWaalsContact CG-CD1 3.5Å; Q34-W138 VanDerWaalsContact CG-NE1 3.35Å
35L84.6Confident77.3Confident79 Ų7970.5 Ų70.541%0.41438%0.381SS..Hα-helixtrans-72.2-26.9178.7-69.2172.1000113L3 T4 L7 I31 N32 W33L3-L35 HydrophobicContact CD2-CD1 3.88Å; L3-L35 HydrophobicContact CG-CD1 4.19Å; T4-L35 HydrophobicContact CG2-CB 3.55Å; T4-L35 HydrophobicContact CG2-CD1 4Å; T4-L35 HydrophobicContact CG2-CG 4.35Å; L7-L35 HydrophobicContact CD1-CD1 3.64Å; I31-L35 HydrophobicContact CG2-CD1 3.99Å; I31-L35 HydrophobicContact CG2-CG 4.47Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.36Å; I31-L35 PolarHBondContact O-N 2.99Å; N32-L35 PolarHBondContact O-N 3Å; W33-L35 VanDerWaalsContact C-N 3.31Å; W33-L35 PolarHBondContact O-N 2.69Å
36N83.2Confident76.5Confident95 Ų9573.4 Ų73.451%0.50839%0.393SS..Hα-helixtrans-98-15.1-178.1-68.8-53.9000113.6N32 W33 Q34N32-N36 PolarHBondContact O-N 2.76Å; N32-N36 VanDerWaalsContact O-N 3.17Å; N32-N36 PolarHBondContact O-ND2 3.01Å; N32-N36 PolarHBondContact OD1-ND2 3.19Å; W33-N36 PolarHBondContact O-N 3.25Å; Q34-N36 VanDerWaalsContact C-N 3.32Å
37T78.1Confident76Confident51 Ų5177.1 Ų77.131%0.31342%0.418SS..  trans-103.6110-175.7-55.40000110.6W33 I39W33-T37 VanDerWaalsContact CE2-OG1 3.3Å; W33-T37 HydrophobicContact CH2-CG2 3.82Å; W33-T37 HydrophobicContact CZ2-CG2 3.68Å; W33-T37 HydrophobicContact CZ3-CG2 4.39Å; W33-T37 PolarHBondContact NE1-OG1 3.04Å; W33-T37 WeakPolarHBondContact O-CB 3.41Å; W33-T37 PolarHBondContact O-N 3.17Å; W33-T37 PolarHBondContact O-OG1 3.24Å; T37-I39 HydrophobicContact CG2-CG1 4.34Å
38C68.3Low75.6Confident125 Ų12579.6 Ų79.685%0.84543%0.432SS*.  trans-84.5113.6167.8-164.80000109S40C38-S40 PolarHBondContact O-N 3.09Å
39I65.9Low75.6Confident55 Ų5585.8 Ų85.828%0.28246%0.46SS..  trans-83103177.4-56168.1000108.5T37 H142 S145T37-I39 HydrophobicContact CG2-CG1 4.34Å; I39-H142 WeakPolarHBondContact CD1-ND1 3.47Å; I39-S145 WeakPolarHBondContact CG2-OG 3.45Å
40S61.8Low75.8Confident64 Ų6485 Ų8545%0.44846%0.46SS..  trans-78.8126172.6-177.10000110.7C38 N42C38-S40 PolarHBondContact O-N 3.09Å; S40-N42 VanDerWaalsContact C-N 3.3Å; S40-N42 PolarHBondContact OG-N 3.37Å
41K58Low76Confident127 Ų12785.5 Ų85.555%0.55247%0.466SS*.SBendtrans-77-15.6173.5-67.2-171.8175-169.90113.3S43K41-S43 PolarHBondContact O-N 3.02Å
42N49.3Very low76.4Confident152 Ų15282.8 Ų82.881%0.81345%0.454SS*.SBendtrans-92.21.4-156.3-78.10.4000116.2S40S40-N42 VanDerWaalsContact C-N 3.3Å; S40-N42 PolarHBondContact OG-N 3.37Å
43S53.4Low76.8Confident95 Ų9581.6 Ų81.666%0.66445%0.447SS*.  trans-15722.9-170.571.10000116.9K41 N45K41-S43 PolarHBondContact O-N 3.02Å; S43-N45 PolarHBondContact O-N 3.14Å
44K60.6Low77.4Confident103 Ų10378.7 Ų78.745%0.44844%0.436SS..PPolyproline II helixtrans-84.3119174.3-69.6-167.4-179.6-173.50109.3E117 F146K44-E117 IonicContact NZ-OE1 3.87Å; K44-F146 HydrophobicContact CD-CD1 3.7Å; K44-F146 HydrophobicContact CD-CE1 3.59Å; K44-F146 VanDerWaalsContact NZ-CZ 3.28Å
45N67.5Low78Confident155 Ų15574.8 Ų74.883%0.82942%0.418SS*.PPolyproline II helixtrans-53.8142168.2-71.4-23.8000109.1S43S43-N45 PolarHBondContact O-N 3.14Å
46E74.3Confident78.6Confident81 Ų8171 Ų7138%0.37940%0.399SS..PPolyproline II helixtrans-58.4135.7172.7-74.5-164.9149.500109.6T48 A212E46-T48 PolarHBondContact O-N 2.96Å; E46-A212 HydrophobicContact CB-CB 3.68Å
47P80.8Confident79.3Confident91 Ų9166.6 Ų66.659%0.59138%0.375SS*.PPolyproline II helixtrans-62.9128.4179.526.2-33.2000109.5E49 A209P47-E49 PolarHBondContact O-N 3.42Å; P47-A209 WeakPolarHBondContact O-CA 3.34Å
48T84.2Confident80.2Confident68 Ų6864.3 Ų64.342%0.41736%0.361SS..SBendtrans-78.2-6.5177.853.70000112.8E46 A213 A216E46-T48 PolarHBondContact O-N 2.96Å; T48-A213 HydrophobicContact CG2-CB 4.38Å; T48-A216 HydrophobicContact CG2-CB 4.02Å
49E89.7Confident81.6Confident156 Ų15658.6 Ų58.673%0.72932%0.322SS*.SBendtrans-127.7138.7-179.9-64.9-173.5176.900110.7P47 G51P47-E49 PolarHBondContact O-N 3.42Å; E49-G51 PolarHBondContact O-N 3.39Å
50C92.8Very high82.9Confident33 Ų3359.4 Ų59.422%0.22333%0.333CS..  trans-85100.5175.2-176.40000109.1K206 A209C50-K206 HydrophobicContact CB-CB 4.2Å; C50-K206 HydrophobicContact CB-CG 4.39Å; C50-A209 HydrophobicContact CB-CB 3.96Å
51G93.8Very high84.5Confident17 Ų1757.4 Ų57.418%0.17532%0.317CS..  trans-74.9177.7174.700000113.5E49 Q118 S120 Y202E49-G51 PolarHBondContact O-N 3.39Å; G51-Q118 VanDerWaalsContact CA-O 3.23Å; G51-Q118 WeakPolarHBondContact CA-O 3.26Å; G51-S120 PolarHBondContact N-OG 3.23Å; G51-S120 WeakPolarHBondContact O-CB 3.2Å; G51-S120 PolarHBondContact O-OG 3.46Å; G51-Y202 VanDerWaalsContact O-CE2 3.32Å; G51-Y202 WeakPolarHBondContact O-CE2 2.97Å
52P96.7Very high86.3Confident23 Ų2355.6 Ų55.615%0.14931%0.307CS..PPolyproline II helixtrans-74.1172.2-16731.7-37.5000113.5V78 N80 A119 S120P52-V78 HydrophobicContact CB-CG1 4.13Å; P52-N80 HydrophobicContact CB-CB 4.44Å; P52-N80 HydrophobicContact CG-CB 4.14Å; P52-A119 CarbonylContact O-C 3.58Å; P52-A119 WeakPolarHBondContact O-CA 3.39Å; P52-S120 PolarHBondContact O-N 3.47Å
53V98.1Very high88.4Confident0 Ų054.1 Ų54.10%030%0.298CS..EExtended strand (participates in β ladder)trans-80.1124.9166.4-176.80000109.5L55 I77 V78 L79 N80 V121 I123 V198 Y202V53-L55 HydrophobicContact CG1-CD2 4.18Å; V53-I77 HydrophobicContact CB-CG2 4.36Å; V53-I77 HydrophobicContact CG2-CG2 3.68Å; V53-V78 PolarHBondContact N-O 3.38Å; V53-L79 HydrophobicContact CB-CD2 3.91Å; V53-L79 HydrophobicContact CG1-CD2 4.26Å; V53-L79 CarbonylContact O-C 3.59Å; V53-L79 WeakPolarHBondContact O-CA 3.39Å; V53-N80 PolarHBondContact O-N 3.25Å; V53-V121 CarbonylContact C-O 3.13Å; V53-V121 WeakPolarHBondContact CA-O 3.31Å; V53-V121 HydrophobicContact CG1-CB 4.28Å; V53-V121 HydrophobicContact CG1-CG1 4.41Å; V53-V121 HydrophobicContact CG2-CB 4.21Å; V53-I123 HydrophobicContact CG1-CD1 3.87Å; V53-I123 HydrophobicContact CG1-CG1 3.74Å; V53-V198 HydrophobicContact CG1-CG1 4.49Å; V53-V198 HydrophobicContact CG2-CG1 3.96Å; V53-Y202 HydrophobicContact CG2-CD2 3.48Å; V53-Y202 VanDerWaalsContact CG2-CD2 3.48Å; V53-Y202 HydrophobicContact CG2-CE2 3.87Å; V53-Y202 HydrophobicContact CG2-CG 4.35Å
54L98.2Very high90.3Very high0 Ų051.5 Ų51.50%028%0.282CS..EExtended strand (participates in β ladder)trans-93.3128.5174.7174.762000110.6N80 P83 V116 A119 V121 V122 I123L54-N80 HydrophobicContact CD1-CB 4.19Å; L54-P83 HydrophobicContact CD1-CG 4.19Å; L54-V116 HydrophobicContact CD2-CB 4.37Å; L54-V116 HydrophobicContact CD2-CG2 3.94Å; L54-A119 HydrophobicContact CB-CB 3.55Å; L54-A119 HydrophobicContact CD2-CB 4.26Å; L54-V121 PolarHBondContact N-O 3.15Å; L54-V122 HydrophobicContact CB-CG2 4.05Å; L54-V122 HydrophobicContact CD2-CG2 4.13Å; L54-V122 HydrophobicContact CG-CG2 4.37Å; L54-V122 WeakPolarHBondContact O-CA 3.48Å; L54-I123 PolarHBondContact O-N 3.41Å
55L98.5Very high92.1Very high1 Ų146.6 Ų46.61%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-91.7108170.1-57.9-152.1000108.9V53 F57 V65 A69 L72 L79 F84 I123 F125V53-L55 HydrophobicContact CG1-CD2 4.18Å; L55-F57 HydrophobicContact CB-CD1 4.12Å; L55-F57 HydrophobicContact CB-CE1 4.14Å; L55-F57 WeakPolarHBondContact O-CD1 3.11Å; L55-V65 HydrophobicContact CB-CG1 4.27Å; L55-V65 HydrophobicContact CD1-CG1 3.63Å; L55-A69 HydrophobicContact CD1-CB 3.9Å; L55-L72 HydrophobicContact CD1-CD1 4.42Å; L55-L72 HydrophobicContact CD2-CD1 4.16Å; L55-L79 HydrophobicContact CD1-CD1 4.4Å; L55-L79 HydrophobicContact CD2-CD2 4.24Å; L55-F84 HydrophobicContact CB-CZ 4.35Å; L55-F84 HydrophobicContact CD1-CE1 4.49Å; L55-F84 HydrophobicContact CD1-CE2 4.41Å; L55-F84 HydrophobicContact CD1-CZ 3.59Å; L55-F84 HydrophobicContact CG-CE2 4.45Å; L55-F84 HydrophobicContact CG-CZ 4.03Å; L55-I123 HydrophobicContact CD2-CB 3.87Å; L55-I123 HydrophobicContact CD2-CD1 3.61Å; L55-I123 HydrophobicContact CD2-CG1 3.87Å; L55-F125 HydrophobicContact CB-CD2 4.47Å; L55-F125 HydrophobicContact CB-CE2 3.8Å; L55-F125 HydrophobicContact CD1-CE2 3.78Å; L55-F125 HydrophobicContact CD1-CZ 3.95Å; L55-F125 HydrophobicContact CD2-CE2 3.97Å; L55-F125 HydrophobicContact CD2-CZ 4.36Å; L55-F125 HydrophobicContact CG-CE2 4.04Å
56C98.3Very high93.4Very high0 Ų041.2 Ų41.20%023%0.231CC..EExtended strand (participates in β ladder)trans-94.9114179.1-178.50000109.2V122 I123 F125 F130 E139C56-V122 HydrophobicContact CB-CG1 3.74Å; C56-I123 PolarHBondContact N-O 3.4Å; C56-F125 PolarHBondContact O-N 3.17Å; C56-F130 HydrophobicContact CB-CE2 4.31Å; C56-F130 VanDerWaalsContact O-CE2 3.31Å; C56-F130 WeakPolarHBondContact O-CE2 3.26Å; C56-F130 WeakPolarHBondContact SG-CE2 3.28Å; C56-E139 PolarHBondContact SG-OE2 2.9Å
57F97.9Very high94.4Very high1 Ų144.9 Ų44.90%0.00424%0.242CC..  trans-156.3153.8-177.965.3-80.8000113.3L55 N61 R62 V65 P83 M101 F125L55-F57 HydrophobicContact CB-CD1 4.12Å; L55-F57 HydrophobicContact CB-CE1 4.14Å; L55-F57 WeakPolarHBondContact O-CD1 3.11Å; F57-N61 HydrophobicContact CB-CB 4.49Å; F57-N61 HydrophobicContact CD2-CB 4.33Å; F57-R62 HydrophobicContact CE2-CB 4.06Å; F57-R62 HydrophobicContact CE2-CG 4.47Å; F57-V65 HydrophobicContact CB-CG2 3.9Å; F57-V65 HydrophobicContact CD1-CB 4.26Å; F57-V65 HydrophobicContact CD1-CG1 3.65Å; F57-V65 HydrophobicContact CD1-CG2 4.21Å; F57-V65 HydrophobicContact CD2-CB 4.11Å; F57-V65 HydrophobicContact CD2-CG1 4.38Å; F57-V65 HydrophobicContact CD2-CG2 3.88Å; F57-V65 HydrophobicContact CE1-CB 4.29Å; F57-V65 HydrophobicContact CE1-CG1 3.59Å; F57-V65 HydrophobicContact CE2-CB 4.18Å; F57-V65 HydrophobicContact CE2-CG1 4.36Å; F57-V65 HydrophobicContact CE2-CG2 4.44Å; F57-V65 HydrophobicContact CG-CB 4.16Å; F57-V65 HydrophobicContact CG-CG1 4.05Å; F57-V65 HydrophobicContact CG-CG2 3.76Å; F57-V65 HydrophobicContact CZ-CB 4.24Å; F57-V65 HydrophobicContact CZ-CG1 3.96Å; F57-P83 HydrophobicContact CE1-CB 3.79Å; F57-P83 HydrophobicContact CZ-CB 4.13Å; F57-M101 HydrophobicContact CD1-CB 4.36Å; F57-M101 HydrophobicContact CD2-CB 3.84Å; F57-M101 HydrophobicContact CD2-CG 4.49Å; F57-M101 HydrophobicContact CE1-CB 3.91Å; F57-M101 HydrophobicContact CE1-CG 4.38Å; F57-M101 HydrophobicContact CE2-CB 3.29Å; F57-M101 HydrophobicContact CE2-CG 3.51Å; F57-M101 HydrophobicContact CE2-SD 4.33Å; F57-M101 HydrophobicContact CG-CB 4.34Å; F57-M101 HydrophobicContact CZ-CB 3.36Å; F57-M101 HydrophobicContact CZ-CG 3.46Å; F57-M101 VanDerWaalsContact CZ-CG 3.46Å; F57-M101 PolarHBondContact O-N 3.43Å; F57-F125 HydrophobicContact CB-CB 3.83Å; F57-F125 HydrophobicContact CB-CD2 4.1Å; F57-F125 HydrophobicContact CB-CG 4.33Å
58S97Very high95.1Very high3 Ų340.6 Ų40.62%0.02121%0.214CC..  trans-73.6144.9170.961.80000110.8S60 N61 S129S58-S60 PolarHBondContact O-N 3.43Å; S58-S60 PolarHBondContact OG-OG 2.82Å; S58-N61 WeakPolarHBondContact O-CB 3.12Å; S58-N61 PolarHBondContact O-N 2.78Å; S58-N61 PolarHBondContact OG-ND2 3.46Å; S58-S129 WeakPolarHBondContact OG-CB 3.29Å; S58-S129 PolarHBondContact OG-OG 3.34Å
59P96.7Very high95.8Very high5 Ų537.4 Ų37.43%0.03219%0.194CC..G310 helixtrans-54.6-31.7-176.7-24.631000114.7N61 R62 A94 S95 L99 M101P59-N61 PolarHBondContact O-N 3.04Å; P59-N61 VanDerWaalsContact O-N 3.14Å; P59-R62 WeakPolarHBondContact O-CB 3.21Å; P59-R62 PolarHBondContact O-N 3.47Å; P59-R62 VanDerWaalsContact O-N 3.08Å; P59-A94 HydrophobicContact CB-CB 4.42Å; P59-A94 HydrophobicContact CG-CB 3.65Å; P59-S95 WeakPolarHBondContact CB-OG 3.4Å; P59-L99 VanDerWaalsContact CD-O 3.22Å; P59-L99 WeakPolarHBondContact CD-O 3.44Å; P59-M101 HydrophobicContact CB-SD 3.82Å; P59-M101 HydrophobicContact CG-SD 4.32Å
60S94.5Very high96.1Very high72 Ų7233.8 Ų33.850%0.50318%0.18SC..G310 helixtrans-56.8-25.6173.856.10000114.7S58 S129S58-S60 PolarHBondContact O-N 3.43Å; S58-S60 PolarHBondContact OG-OG 2.82Å; S60-S129 WeakPolarHBondContact OG-CB 3.48Å; S60-S129 PolarHBondContact OG-OG 2.84Å
61N95.3Very high96.3Very high23 Ų2335.7 Ų35.712%0.12318%0.183CC..G310 helixtrans-89.50.1-178.9-67.2-16.9000112.9F57 S58 P59 I63 A64 V65 F125 S127 L160F57-N61 HydrophobicContact CB-CB 4.49Å; F57-N61 HydrophobicContact CD2-CB 4.33Å; S58-N61 WeakPolarHBondContact O-CB 3.12Å; S58-N61 PolarHBondContact O-N 2.78Å; S58-N61 PolarHBondContact OG-ND2 3.46Å; P59-N61 PolarHBondContact O-N 3.04Å; P59-N61 VanDerWaalsContact O-N 3.14Å; N61-I63 VanDerWaalsContact C-N 3.31Å; N61-I63 PolarHBondContact O-N 3.23Å; N61-I63 VanDerWaalsContact O-N 3.14Å; N61-A64 PolarHBondContact O-N 3.16Å; N61-A64 VanDerWaalsContact O-N 3.1Å; N61-V65 HydrophobicContact CB-CG2 4.12Å; N61-V65 WeakPolarHBondContact O-CG2 3.49Å; N61-V65 PolarHBondContact O-N 3.36Å; N61-F125 PolarHBondContact ND2-O 3.2Å; N61-S127 PolarHBondContact ND2-OG 2.89Å; N61-L160 HydrophobicContact CB-CD1 3.82Å
62R95.3Very high96.5Very high88 Ų8835 Ų3533%0.33218%0.175SC..Hα-helixtrans-49.7-44.6-170.9-179-179.9-176.8-119.80.2114.2F57 P59 A64 V65 N66 M101F57-R62 HydrophobicContact CE2-CB 4.06Å; F57-R62 HydrophobicContact CE2-CG 4.47Å; P59-R62 WeakPolarHBondContact O-CB 3.21Å; P59-R62 PolarHBondContact O-N 3.47Å; P59-R62 VanDerWaalsContact O-N 3.08Å; R62-A64 PolarHBondContact O-N 3.12Å; R62-V65 PolarHBondContact O-N 3.39Å; R62-N66 WeakPolarHBondContact O-CB 3.1Å; R62-N66 PolarHBondContact O-N 2.67Å; R62-N66 PolarHBondContact O-OD1 3.05Å; R62-M101 HydrophobicContact CB-SD 4.47Å; R62-M101 HydrophobicContact CG-SD 4.45Å
63I92.8Very high96.5Very high122 Ų12237.8 Ų37.863%0.62618%0.183SC*.Hα-helixtrans-63.9-45.8-177-59.7175.9000111.1N61 R67N61-I63 VanDerWaalsContact C-N 3.31Å; N61-I63 PolarHBondContact O-N 3.23Å; N61-I63 VanDerWaalsContact O-N 3.14Å; I63-R67 PolarHBondContact O-N 3.01Å
64A93.8Very high96.5Very high40 Ų4044.3 Ų44.333%0.33122%0.217SC..Hα-helixtrans-66.7-43.4179.400000111N61 R62 N66 R67 V68 L160N61-A64 PolarHBondContact O-N 3.16Å; N61-A64 VanDerWaalsContact O-N 3.1Å; R62-A64 PolarHBondContact O-N 3.12Å; A64-N66 PolarHBondContact O-N 3.26Å; A64-R67 PolarHBondContact O-N 3.43Å; A64-V68 PolarHBondContact O-N 3.03Å; A64-L160 HydrophobicContact CB-CD1 4.05Å; A64-L160 HydrophobicContact CB-CD2 4.29Å
65V97.1Very high96.4Very high0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-67.3-36-179.51790000112.1L55 F57 N61 R62 R67 V68 A69 F125 L160L55-V65 HydrophobicContact CB-CG1 4.27Å; L55-V65 HydrophobicContact CD1-CG1 3.63Å; F57-V65 HydrophobicContact CB-CG2 3.9Å; F57-V65 HydrophobicContact CD1-CB 4.26Å; F57-V65 HydrophobicContact CD1-CG1 3.65Å; F57-V65 HydrophobicContact CD1-CG2 4.21Å; F57-V65 HydrophobicContact CD2-CB 4.11Å; F57-V65 HydrophobicContact CD2-CG1 4.38Å; F57-V65 HydrophobicContact CD2-CG2 3.88Å; F57-V65 HydrophobicContact CE1-CB 4.29Å; F57-V65 HydrophobicContact CE1-CG1 3.59Å; F57-V65 HydrophobicContact CE2-CB 4.18Å; F57-V65 HydrophobicContact CE2-CG1 4.36Å; F57-V65 HydrophobicContact CE2-CG2 4.44Å; F57-V65 HydrophobicContact CG-CB 4.16Å; F57-V65 HydrophobicContact CG-CG1 4.05Å; F57-V65 HydrophobicContact CG-CG2 3.76Å; F57-V65 HydrophobicContact CZ-CB 4.24Å; F57-V65 HydrophobicContact CZ-CG1 3.96Å; N61-V65 HydrophobicContact CB-CG2 4.12Å; N61-V65 WeakPolarHBondContact O-CG2 3.49Å; N61-V65 PolarHBondContact O-N 3.36Å; R62-V65 PolarHBondContact O-N 3.39Å; V65-R67 VanDerWaalsContact C-N 3.31Å; V65-R67 PolarHBondContact O-N 2.91Å; V65-V68 PolarHBondContact O-N 3.44Å; V65-V68 VanDerWaalsContact O-N 3.16Å; V65-A69 WeakPolarHBondContact O-CB 3.48Å; V65-A69 PolarHBondContact O-N 3.28Å; V65-F125 HydrophobicContact CG1-CD2 4.02Å; V65-F125 HydrophobicContact CG1-CE1 4.46Å; V65-F125 HydrophobicContact CG1-CE2 3.75Å; V65-F125 HydrophobicContact CG1-CG 4.49Å; V65-F125 HydrophobicContact CG1-CZ 3.98Å; V65-F125 HydrophobicContact CG2-CB 3.91Å; V65-F125 HydrophobicContact CG2-CD1 3.75Å; V65-F125 HydrophobicContact CG2-CD2 3.84Å; V65-F125 HydrophobicContact CG2-CE1 4.19Å; V65-F125 HydrophobicContact CG2-CE2 4.29Å; V65-F125 HydrophobicContact CG2-CG 3.54Å; V65-F125 HydrophobicContact CG2-CZ 4.44Å; V65-L160 HydrophobicContact CG2-CD1 3.83Å
66N95.8Very high96.3Very high41 Ų4148.6 Ų48.622%0.21926%0.259CS..Hα-helixtrans-59.2-42.3175.3-76.9-8.7000112R62 A64 V68 A69 D70 F84R62-N66 WeakPolarHBondContact O-CB 3.1Å; R62-N66 PolarHBondContact O-N 2.67Å; R62-N66 PolarHBondContact O-OD1 3.05Å; A64-N66 PolarHBondContact O-N 3.26Å; N66-V68 VanDerWaalsContact C-N 3.31Å; N66-V68 PolarHBondContact O-N 3.45Å; N66-A69 WeakPolarHBondContact O-CB 3.39Å; N66-A69 PolarHBondContact O-N 3.3Å; N66-D70 PolarHBondContact O-N 3.43Å; N66-F84 VanDerWaalsContact OD1-CD1 3.29Å; N66-F84 WeakPolarHBondContact OD1-CD1 3.34Å; N66-F84 WeakPolarHBondContact OD1-CE1 3.21Å
67R95Very high96.2Very high158 Ų15849.2 Ų49.260%0.59626%0.262SS*.Hα-helixtrans-62.2-40.3176.4-64.4175.5-177174.80.2112I63 A64 V65 R71I63-R67 PolarHBondContact O-N 3.01Å; A64-R67 PolarHBondContact O-N 3.43Å; V65-R67 VanDerWaalsContact C-N 3.31Å; V65-R67 PolarHBondContact O-N 2.91Å; R67-R71 WeakPolarHBondContact O-CG 3.48Å; R67-R71 PolarHBondContact O-N 3.31Å
68V96.6Very high96.1Very high2 Ų253 Ų531%0.01229%0.285CS..Hα-helixtrans-66.1-43174.8178.50000111A64 V65 N66 D70 R71 L72 F125 F181 Y191 L194A64-V68 PolarHBondContact O-N 3.03Å; V65-V68 PolarHBondContact O-N 3.44Å; V65-V68 VanDerWaalsContact O-N 3.16Å; N66-V68 VanDerWaalsContact C-N 3.31Å; N66-V68 PolarHBondContact O-N 3.45Å; V68-D70 VanDerWaalsContact C-N 3.32Å; V68-D70 PolarHBondContact O-N 3.28Å; V68-R71 PolarHBondContact O-N 2.98Å; V68-L72 HydrophobicContact CG1-CD1 3.95Å; V68-L72 HydrophobicContact CG1-CG 4.26Å; V68-L72 VanDerWaalsContact O-CG 3.3Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 3.37Å; V68-F125 HydrophobicContact CB-CE1 4.1Å; V68-F125 HydrophobicContact CB-CZ 4.28Å; V68-F125 HydrophobicContact CG1-CE1 3.89Å; V68-F125 HydrophobicContact CG1-CZ 3.86Å; V68-F125 HydrophobicContact CG2-CE1 4.13Å; V68-F181 HydrophobicContact CG2-CE1 4.21Å; V68-Y191 HydrophobicContact CB-CE1 4.39Å; V68-Y191 HydrophobicContact CG2-CE1 3.92Å; V68-L194 HydrophobicContact CG1-CD2 3.41Å; V68-L194 VanDerWaalsContact CG1-CD2 3.41Å
69A97.9Very high96.1Very high0 Ų053.4 Ų53.40%029%0.287CS..Hα-helixtrans-60.5-42178.400000111.9L55 V65 N66 L72 R73 L79 F84L55-A69 HydrophobicContact CD1-CB 3.9Å; V65-A69 WeakPolarHBondContact O-CB 3.48Å; V65-A69 PolarHBondContact O-N 3.28Å; N66-A69 WeakPolarHBondContact O-CB 3.39Å; N66-A69 PolarHBondContact O-N 3.3Å; A69-L72 PolarHBondContact O-N 2.74Å; A69-R73 WeakPolarHBondContact O-CG 3.46Å; A69-R73 PolarHBondContact O-N 3.13Å; A69-L79 HydrophobicContact CB-CD1 3.8Å; A69-F84 HydrophobicContact CB-CD1 4.41Å; A69-F84 HydrophobicContact CB-CE1 3.46Å; A69-F84 VanDerWaalsContact CB-CE1 3.46Å; A69-F84 HydrophobicContact CB-CE2 4.25Å; A69-F84 HydrophobicContact CB-CZ 3.36Å
70D97Very high96.1Very high81 Ų8153.8 Ų53.843%0.43329%0.289SS..Hα-helixtrans-59.8-48.3176.5-62.8-22000110.8N66 V68 L72 R73 D74N66-D70 PolarHBondContact O-N 3.43Å; V68-D70 VanDerWaalsContact C-N 3.32Å; V68-D70 PolarHBondContact O-N 3.28Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 2.68Å; D70-R73 PolarHBondContact O-N 3Å; D70-R73 VanDerWaalsContact O-N 3.16Å; D70-R73 IonicContact OD1-NH1 3.87Å; D70-R73 PolarHBondContact OD1-NH1 3.44Å; D70-D74 VanDerWaalsContact O-CG 3.27Å; D70-D74 PolarHBondContact O-N 2.82Å
71R97Very high96Very high73 Ų7356 Ų5628%0.27530%0.295SS..Hα-helixtrans-61.4-36.8176.3-66.4-65.3-66.7-102.7-0.8113.3R67 V68 A75 E188 Y191R67-R71 WeakPolarHBondContact O-CG 3.48Å; R67-R71 PolarHBondContact O-N 3.31Å; V68-R71 PolarHBondContact O-N 2.98Å; R71-A75 WeakPolarHBondContact O-CB 3.38Å; R71-A75 PolarHBondContact O-N 2.87Å; R71-A75 VanDerWaalsContact O-N 3.13Å; R71-E188 IonicContact CZ-OE1 3.93Å; R71-E188 IonicContact CZ-OE2 3.3Å; R71-E188 VanDerWaalsContact CZ-OE2 3.3Å; R71-E188 IonicContact NH1-OE1 2.93Å; R71-E188 PolarHBondContact NH1-OE1 3.21Å; R71-E188 IonicContact NH1-OE2 2.96Å; R71-E188 PolarHBondContact NH1-OE2 3.38Å; R71-E188 IonicContact NH2-OE2 2.71Å; R71-E188 PolarHBondContact NH2-OE2 3.22Å; R71-Y191 HydrophobicContact CB-CD1 3.96Å; R71-Y191 HydrophobicContact CB-CE1 4.09Å; R71-Y191 HydrophobicContact CG-CD1 3.92Å; R71-Y191 HydrophobicContact CG-CE1 3.75Å; R71-Y191 HydrophobicContact CG-CG 4.44Å
72L98Very high95.8Very high1 Ų156.3 Ų56.31%0.00530%0.296CS..Hα-helixtrans-68.4-40.8175.9-68.3171.4000111.5L55 V68 A69 D70 A75 G76 I77 L79 I123 L194 I195 V198L55-L72 HydrophobicContact CD1-CD1 4.42Å; L55-L72 HydrophobicContact CD2-CD1 4.16Å; V68-L72 HydrophobicContact CG1-CD1 3.95Å; V68-L72 HydrophobicContact CG1-CG 4.26Å; V68-L72 VanDerWaalsContact O-CG 3.3Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 3.37Å; A69-L72 PolarHBondContact O-N 2.74Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 2.68Å; L72-A75 WeakPolarHBondContact O-CB 3.34Å; L72-A75 PolarHBondContact O-N 3.13Å; L72-G76 PolarHBondContact O-N 3.11Å; L72-I77 HydrophobicContact CB-CB 4.4Å; L72-I77 HydrophobicContact CB-CD1 4.27Å; L72-I77 HydrophobicContact CD2-CD1 3.51Å; L72-I77 HydrophobicContact CG-CD1 4.49Å; L72-I77 WeakPolarHBondContact O-CB 3.28Å; L72-I77 PolarHBondContact O-N 3.22Å; L72-L79 HydrophobicContact CB-CD1 4.08Å; L72-L79 HydrophobicContact CB-CD2 4.13Å; L72-L79 HydrophobicContact CB-CG 4.46Å; L72-L79 HydrophobicContact CD1-CD1 4.44Å; L72-L79 HydrophobicContact CD1-CD2 4.07Å; L72-I123 HydrophobicContact CD1-CD1 3.74Å; L72-L194 HydrophobicContact CD2-CG 4.38Å; L72-I195 HydrophobicContact CD2-CG1 4Å; L72-V198 HydrophobicContact CD2-CG2 4.26Å
73R96.9Very high95.5Very high83 Ų8352.1 Ų52.131%0.31328%0.28SS..Hα-helixtrans-65.1-43.4175.8-70.1-175.5-155.7101.60.7111.5A69 D70 A75 G76 L79A69-R73 WeakPolarHBondContact O-CG 3.46Å; A69-R73 PolarHBondContact O-N 3.13Å; D70-R73 PolarHBondContact O-N 3Å; D70-R73 VanDerWaalsContact O-N 3.16Å; D70-R73 IonicContact OD1-NH1 3.87Å; D70-R73 PolarHBondContact OD1-NH1 3.44Å; R73-A75 PolarHBondContact O-N 2.83Å; R73-G76 WeakPolarHBondContact O-CA 3.41Å; R73-G76 PolarHBondContact O-N 2.84Å; R73-L79 HydrophobicContact CG-CD1 3.9Å; R73-L79 HydrophobicContact CG-CG 4.29Å
74D97.4Very high95.4Very high137 Ų13748.3 Ų48.373%0.73326%0.259SS*.Hα-helixtrans-59.9-31.8175-67.6-19.2000111.7D70 G76D70-D74 VanDerWaalsContact O-CG 3.27Å; D70-D74 PolarHBondContact O-N 2.82Å; D74-G76 PolarHBondContact O-N 3.32Å
75A96.6Very high95Very high26 Ų2647.5 Ų47.522%0.21526%0.255CS..THydrogen-bonded Turntrans-78.51.9174.500000114.5R71 L72 R73 I77 I195 K199R71-A75 WeakPolarHBondContact O-CB 3.38Å; R71-A75 PolarHBondContact O-N 2.87Å; R71-A75 VanDerWaalsContact O-N 3.13Å; L72-A75 WeakPolarHBondContact O-CB 3.34Å; L72-A75 PolarHBondContact O-N 3.13Å; R73-A75 PolarHBondContact O-N 2.83Å; A75-I77 HydrophobicContact CB-CD1 4.27Å; A75-I195 HydrophobicContact CB-CD1 4.12Å; A75-I195 HydrophobicContact CB-CG1 4.2Å; A75-I195 HydrophobicContact CB-CG2 3.74Å; A75-K199 VanDerWaalsContact O-CE 3.3Å; A75-K199 WeakPolarHBondContact O-CE 3.4Å; A75-K199 PolarHBondContact O-NZ 3.14Å
76G96.1Very high94.6Very high64 Ų6453 Ų5366%0.6629%0.291SS*.THydrogen-bonded Turntrans80.717.3178.600000114.9L72 R73 D74L72-G76 PolarHBondContact O-N 3.11Å; R73-G76 WeakPolarHBondContact O-CA 3.41Å; R73-G76 PolarHBondContact O-N 2.84Å; D74-G76 PolarHBondContact O-N 3.32Å
77I96Very high94.4Very high13 Ų1355.4 Ų55.47%0.06730%0.301CS..  trans-85130.2-178.7-61163.7000109.5V53 L72 A75 L79 I195 V198 K199V53-I77 HydrophobicContact CB-CG2 4.36Å; V53-I77 HydrophobicContact CG2-CG2 3.68Å; L72-I77 HydrophobicContact CB-CB 4.4Å; L72-I77 HydrophobicContact CB-CD1 4.27Å; L72-I77 HydrophobicContact CD2-CD1 3.51Å; L72-I77 HydrophobicContact CG-CD1 4.49Å; L72-I77 WeakPolarHBondContact O-CB 3.28Å; L72-I77 PolarHBondContact O-N 3.22Å; A75-I77 HydrophobicContact CB-CD1 4.27Å; I77-L79 HydrophobicContact CG2-CD2 3.87Å; I77-L79 PolarHBondContact O-N 3.39Å; I77-I195 HydrophobicContact CD1-CG2 4.38Å; I77-V198 HydrophobicContact CD1-CB 4.06Å; I77-V198 HydrophobicContact CD1-CG1 3.75Å; I77-V198 HydrophobicContact CG1-CG1 4.34Å; I77-V198 HydrophobicContact CG2-CG1 3.76Å; I77-K199 HydrophobicContact CD1-CG 4.36Å; I77-K199 HydrophobicContact CG1-CG 4.39Å
78V96.4Very high94.3Very high82 Ų8250.2 Ų50.250%0.49729%0.287SS..  trans-79.2109.2178.1-1750000109.4P52 V53P52-V78 HydrophobicContact CB-CG1 4.13Å; V53-V78 PolarHBondContact N-O 3.38Å
79L97.2Very high94.2Very high10 Ų1050.2 Ų50.25%0.05229%0.287CS..BIsolated β-bridgetrans-97.2152.3177.1-55.4-174.4000111.3V53 L55 A69 L72 R73 I77 F84V53-L79 HydrophobicContact CB-CD2 3.91Å; V53-L79 HydrophobicContact CG1-CD2 4.26Å; V53-L79 CarbonylContact O-C 3.59Å; V53-L79 WeakPolarHBondContact O-CA 3.39Å; L55-L79 HydrophobicContact CD1-CD1 4.4Å; L55-L79 HydrophobicContact CD2-CD2 4.24Å; A69-L79 HydrophobicContact CB-CD1 3.8Å; L72-L79 HydrophobicContact CB-CD1 4.08Å; L72-L79 HydrophobicContact CB-CD2 4.13Å; L72-L79 HydrophobicContact CB-CG 4.46Å; L72-L79 HydrophobicContact CD1-CD1 4.44Å; L72-L79 HydrophobicContact CD1-CD2 4.07Å; R73-L79 HydrophobicContact CG-CD1 3.9Å; R73-L79 HydrophobicContact CG-CG 4.29Å; I77-L79 HydrophobicContact CG2-CD2 3.87Å; I77-L79 PolarHBondContact O-N 3.39Å; L79-F84 HydrophobicContact CD1-CE2 4.39Å
80N95.8Very high94Very high13 Ų1353.3 Ų53.37%0.0731%0.307CS..  trans-67.7132.7166-167.2-70.4000110P52 V53 L54 I82 P83 F84 C115P52-N80 HydrophobicContact CB-CB 4.44Å; P52-N80 HydrophobicContact CG-CB 4.14Å; V53-N80 PolarHBondContact O-N 3.25Å; L54-N80 HydrophobicContact CD1-CB 4.19Å; N80-I82 WeakPolarHBondContact OD1-CB 3.43Å; N80-I82 WeakPolarHBondContact OD1-CG1 3.42Å; N80-I82 PolarHBondContact OD1-N 3.26Å; N80-P83 WeakPolarHBondContact OD1-CD 3.32Å; N80-F84 WeakPolarHBondContact O-CD2 3.46Å; N80-F84 WeakPolarHBondContact O-CE2 3.48Å; N80-C115 PolarHBondContact ND2-SG 3.04Å; N80-C115 PolarHBondContact OD1-SG 2.84Å
81N92.1Very high93.8Very high118 Ų11850.7 Ų50.763%0.63130%0.295SS*.SBendtrans-85.8-20.1-174.1-68.6-35.6000114F84 G85N81-F84 CarbonylContact O-C 3.11Å; N81-F84 PolarHBondContact O-N 3.21Å; N81-G85 PolarHBondContact O-N 2.99Å
82I92.1Very high93.5Very high30 Ų3052.3 Ų52.315%0.15431%0.312CS..G310 helixtrans-57.8-47-172.9-64.6166.6000112.1N80 F84 G85 N105 A106 Q111 C115N80-I82 WeakPolarHBondContact OD1-CB 3.43Å; N80-I82 WeakPolarHBondContact OD1-CG1 3.42Å; N80-I82 PolarHBondContact OD1-N 3.26Å; I82-F84 PolarHBondContact O-N 3.39Å; I82-G85 PolarHBondContact O-N 3.5Å; I82-G85 VanDerWaalsContact O-N 3.12Å; I82-N105 HydrophobicContact CG2-CB 4.41Å; I82-N105 WeakPolarHBondContact O-CB 3.43Å; I82-A106 HydrophobicContact CG2-CB 4.01Å; I82-Q111 HydrophobicContact CD1-CG 3.88Å; I82-C115 HydrophobicContact CD1-CB 3.69Å
83P87.5Confident93.3Very high0 Ų055.6 Ų55.60%033%0.33CS..G310 helixtrans-60-17177.9-21.832.5000114.5L54 F57 N80 C102 N105L54-P83 HydrophobicContact CD1-CG 4.19Å; F57-P83 HydrophobicContact CE1-CB 3.79Å; F57-P83 HydrophobicContact CZ-CB 4.13Å; N80-P83 WeakPolarHBondContact OD1-CD 3.32Å; P83-C102 HydrophobicContact CG-CB 3.89Å; P83-N105 PolarHBondContact O-ND2 3.39Å
84F91Very high93.1Very high42 Ų4251.6 Ų51.618%0.18432%0.315CS..G310 helixtrans-108.2-0.3-177.3-50.8-72.4000113.9L55 N66 A69 L79 N80 N81 I82L55-F84 HydrophobicContact CB-CZ 4.35Å; L55-F84 HydrophobicContact CD1-CE1 4.49Å; L55-F84 HydrophobicContact CD1-CE2 4.41Å; L55-F84 HydrophobicContact CD1-CZ 3.59Å; L55-F84 HydrophobicContact CG-CE2 4.45Å; L55-F84 HydrophobicContact CG-CZ 4.03Å; N66-F84 VanDerWaalsContact OD1-CD1 3.29Å; N66-F84 WeakPolarHBondContact OD1-CD1 3.34Å; N66-F84 WeakPolarHBondContact OD1-CE1 3.21Å; A69-F84 HydrophobicContact CB-CD1 4.41Å; A69-F84 HydrophobicContact CB-CE1 3.46Å; A69-F84 VanDerWaalsContact CB-CE1 3.46Å; A69-F84 HydrophobicContact CB-CE2 4.25Å; A69-F84 HydrophobicContact CB-CZ 3.36Å; L79-F84 HydrophobicContact CD1-CE2 4.39Å; N80-F84 WeakPolarHBondContact O-CD2 3.46Å; N80-F84 WeakPolarHBondContact O-CE2 3.48Å; N81-F84 CarbonylContact O-C 3.11Å; N81-F84 PolarHBondContact O-N 3.21Å; I82-F84 PolarHBondContact O-N 3.39Å
85G86.2Confident92.9Very high24 Ų2447.6 Ų47.625%0.24730%0.298CS..SBendtrans-66.1179.6177.100000113.8N81 I82 N105N81-G85 PolarHBondContact O-N 2.99Å; I82-G85 PolarHBondContact O-N 3.5Å; I82-G85 VanDerWaalsContact O-N 3.12Å; G85-N105 PolarHBondContact O-ND2 2.81Å
86P89Confident92.6Very high116 Ų11651.5 Ų51.575%0.75332%0.319SS*.  trans-58.9143.5171.427.7-34.3000110V88P86-V88 PolarHBondContact O-N 3.45Å; P86-V88 VanDerWaalsContact O-N 3.11Å
87E90Very high92.3Very high91 Ų9150 Ų5043%0.42530%0.297SS..  trans-69.6108.3-177.2-169.4165.3-145.700110.3I89 P90 S91 N105E87-I89 WeakPolarHBondContact CG-O 3.34Å; E87-P90 WeakPolarHBondContact OE1-CA 3.19Å; E87-S91 WeakPolarHBondContact OE1-CA 3.32Å; E87-S91 VanDerWaalsContact OE1-CB 3.28Å; E87-S91 WeakPolarHBondContact OE1-CB 3.4Å; E87-S91 PolarHBondContact OE1-N 3.31Å; E87-S91 PolarHBondContact OE1-OG 2.99Å; E87-N105 WeakPolarHBondContact CA-OD1 3.49Å
88V94.4Very high92.2Very high49 Ų4949.9 Ų49.930%0.29730%0.299SS..SBendtrans-82.8-39.2177.8178.30000110.5P86 A104 N105P86-V88 PolarHBondContact O-N 3.45Å; P86-V88 VanDerWaalsContact O-N 3.11Å; V88-A104 WeakPolarHBondContact CB-O 3.28Å; V88-N105 WeakPolarHBondContact CG2-O 3.26Å
89I94.4Very high92.1Very high2 Ų246.2 Ų46.21%0.0128%0.276CS..SBendtrans-121126174.4-63167.8000107.7K22 R26 E87 S91 D93 A94 L99 A104K22-I89 HydrophobicContact CB-CD1 4.34Å; K22-I89 HydrophobicContact CB-CG1 3.95Å; R26-I89 HydrophobicContact CB-CD1 4.13Å; E87-I89 WeakPolarHBondContact CG-O 3.34Å; I89-S91 PolarHBondContact O-N 2.81Å; I89-D93 HydrophobicContact CG2-CB 4.23Å; I89-A94 HydrophobicContact CG2-CB 4.13Å; I89-L99 HydrophobicContact CD1-CD1 4.08Å; I89-A104 HydrophobicContact CB-CB 4.31Å; I89-A104 WeakPolarHBondContact CB-O 3.26Å; I89-A104 PolarHBondContact N-O 3.01Å; I89-A104 VanDerWaalsContact N-O 3.1Å
90P93.1Very high92.1Very high65 Ų6545.7 Ų45.742%0.42227%0.274SS..  trans-54.1139.2177.5-26.635.3000112.8E87 V92 D93 A94E87-P90 WeakPolarHBondContact OE1-CA 3.19Å; P90-V92 PolarHBondContact O-N 3.49Å; P90-V92 VanDerWaalsContact O-N 3.15Å; P90-D93 HydrophobicContact CB-CB 4.48Å; P90-D93 PolarHBondContact O-N 3.1Å; P90-A94 PolarHBondContact O-N 3.17Å
91S92.3Very high92.2Very high26 Ų2645.1 Ų45.118%0.18227%0.271CS..Hα-helixtrans-60.6-31.7-173.2-66.90000112E87 I89 S95E87-S91 WeakPolarHBondContact OE1-CA 3.32Å; E87-S91 VanDerWaalsContact OE1-CB 3.28Å; E87-S91 WeakPolarHBondContact OE1-CB 3.4Å; E87-S91 PolarHBondContact OE1-N 3.31Å; E87-S91 PolarHBondContact OE1-OG 2.99Å; I89-S91 PolarHBondContact O-N 2.81Å; S91-S95 VanDerWaalsContact O-CB 3.29Å; S91-S95 WeakPolarHBondContact O-CB 3.48Å; S91-S95 PolarHBondContact O-N 3.3Å; S91-S95 PolarHBondContact O-OG 3.02Å
92V91.4Very high92.4Very high106 Ų10639.5 Ų39.564%0.64224%0.241SC*.Hα-helixtrans-64.2-50.8174.2178.20000109.9P90 A94 S95 T96P90-V92 PolarHBondContact O-N 3.49Å; P90-V92 VanDerWaalsContact O-N 3.15Å; V92-A94 VanDerWaalsContact C-N 3.35Å; V92-A94 PolarHBondContact O-N 2.99Å; V92-S95 PolarHBondContact O-N 3.29Å; V92-T96 WeakPolarHBondContact O-CG2 3.41Å; V92-T96 PolarHBondContact O-N 3.39Å; V92-T96 PolarHBondContact O-OG1 2.98Å
93D92.5Very high92.6Very high70 Ų7038.1 Ų38.137%0.37423%0.234SC..Hα-helixtrans-67.4-36.5-179.6-60.4-22.2000112.2S23 I89 P90 T96 T97S23-D93 WeakPolarHBondContact CB-O 3.45Å; I89-D93 HydrophobicContact CG2-CB 4.23Å; P90-D93 HydrophobicContact CB-CB 4.48Å; P90-D93 PolarHBondContact O-N 3.1Å; D93-T96 WeakPolarHBondContact CA-OG1 3.48Å; D93-T96 PolarHBondContact O-OG1 2.86Å; D93-T97 WeakPolarHBondContact O-CB 3.39Å; D93-T97 WeakPolarHBondContact O-CG2 3.28Å; D93-T97 PolarHBondContact O-N 3.36Å; D93-T97 VanDerWaalsContact O-N 3.14Å; D93-T97 PolarHBondContact O-OG1 3.24Å
94A94.3Very high93Very high0 Ų038.1 Ų38.10%023%0.234CC..Hα-helixtrans-64.9-41.1173.400000111.4P59 I89 P90 V92 T97 G98 L99 A104P59-A94 HydrophobicContact CB-CB 4.42Å; P59-A94 HydrophobicContact CG-CB 3.65Å; I89-A94 HydrophobicContact CG2-CB 4.13Å; P90-A94 PolarHBondContact O-N 3.17Å; V92-A94 VanDerWaalsContact C-N 3.35Å; V92-A94 PolarHBondContact O-N 2.99Å; A94-T97 PolarHBondContact O-OG1 2.94Å; A94-G98 PolarHBondContact O-N 3.45Å; A94-G98 VanDerWaalsContact O-N 3.09Å; A94-L99 HydrophobicContact CB-CB 4.12Å; A94-L99 HydrophobicContact CB-CD1 4.45Å; A94-L99 PolarHBondContact O-N 2.96Å; A94-A104 HydrophobicContact CB-CB 3.58Å
95S93Very high93.3Very high53 Ų5336.5 Ų36.537%0.37123%0.227SC..Hα-helixtrans-66.6-42.3177.8-60.80000112P59 S91 V92 T97 G98P59-S95 WeakPolarHBondContact CB-OG 3.4Å; S91-S95 VanDerWaalsContact O-CB 3.29Å; S91-S95 WeakPolarHBondContact O-CB 3.48Å; S91-S95 PolarHBondContact O-N 3.3Å; S91-S95 PolarHBondContact O-OG 3.02Å; V92-S95 PolarHBondContact O-N 3.29Å; S95-T97 VanDerWaalsContact C-N 3.34Å; S95-T97 PolarHBondContact O-N 3.37Å; S95-G98 PolarHBondContact O-N 3.31Å
96T89.6Confident93.7Very high108 Ų10835.4 Ų35.466%0.66322%0.215SC*.Hα-helixtrans-68-34-179.453.50000112.7V92 D93 G98V92-T96 WeakPolarHBondContact O-CG2 3.41Å; V92-T96 PolarHBondContact O-N 3.39Å; V92-T96 PolarHBondContact O-OG1 2.98Å; D93-T96 WeakPolarHBondContact CA-OG1 3.48Å; D93-T96 PolarHBondContact O-OG1 2.86Å; T96-G98 VanDerWaalsContact C-N 3.29Å
97T91Very high93.9Very high33 Ų3334.3 Ų34.320%0.20221%0.207CC..THydrogen-bonded Turntrans-86.3-0.6175.555.20000113.5S23 L24 D93 A94 S95 L99S23-T97 WeakPolarHBondContact CB-OG1 3.32Å; S23-T97 WeakPolarHBondContact OG-CG2 3.4Å; L24-T97 HydrophobicContact CB-CG2 4.47Å; D93-T97 WeakPolarHBondContact O-CB 3.39Å; D93-T97 WeakPolarHBondContact O-CG2 3.28Å; D93-T97 PolarHBondContact O-N 3.36Å; D93-T97 VanDerWaalsContact O-N 3.14Å; D93-T97 PolarHBondContact O-OG1 3.24Å; A94-T97 PolarHBondContact O-OG1 2.94Å; S95-T97 VanDerWaalsContact C-N 3.34Å; S95-T97 PolarHBondContact O-N 3.37Å; T97-L99 VanDerWaalsContact C-N 3.33Å; T97-L99 PolarHBondContact O-N 3.01Å
98G92.2Very high94Very high10 Ų1033.5 Ų33.510%0.10321%0.205CC..THydrogen-bonded Turntrans74.321175.200000114.5A94 S95 T96 S133 P134 G135A94-G98 PolarHBondContact O-N 3.45Å; A94-G98 VanDerWaalsContact O-N 3.09Å; S95-G98 PolarHBondContact O-N 3.31Å; T96-G98 VanDerWaalsContact C-N 3.29Å; G98-S133 PolarHBondContact O-OG 3.15Å; G98-P134 WeakPolarHBondContact O-CD 3.46Å; G98-G135 WeakPolarHBondContact O-CA 3.38Å; G98-G135 PolarHBondContact O-N 3.33Å
99L95.2Very high93.9Very high4 Ų432.1 Ų32.12%0.02120%0.195CC..  trans-73.2157.4174.1-65.3179000111.8R26 A27 P59 I89 A94 T97 A103 W112R26-L99 HydrophobicContact CB-CD1 4.05Å; R26-L99 HydrophobicContact CB-CD2 4.37Å; R26-L99 HydrophobicContact CG-CD1 4.12Å; R26-L99 HydrophobicContact CG-CD2 3.99Å; A27-L99 HydrophobicContact CB-CD2 4.24Å; P59-L99 VanDerWaalsContact CD-O 3.22Å; P59-L99 WeakPolarHBondContact CD-O 3.44Å; I89-L99 HydrophobicContact CD1-CD1 4.08Å; A94-L99 HydrophobicContact CB-CB 4.12Å; A94-L99 HydrophobicContact CB-CD1 4.45Å; A94-L99 PolarHBondContact O-N 2.96Å; T97-L99 VanDerWaalsContact C-N 3.33Å; T97-L99 PolarHBondContact O-N 3.01Å; L99-A103 HydrophobicContact CB-CB 4.12Å; L99-A103 HydrophobicContact CD2-CB 4.1Å; L99-W112 HydrophobicContact CD2-CH2 4.46Å; L99-W112 HydrophobicContact CD2-CZ3 4.38Å
100T96.9Very high93.8Very high0 Ų035.1 Ų35.10%022%0.221CC..  trans-80.8168.4165.568.50000110.6C102 A103 A104 W112 G135 C136 E139T100-C102 VanDerWaalsContact C-N 3.28Å; T100-C102 PolarHBondContact O-N 3.32Å; T100-C102 PolarHBondContact OG1-N 2.82Å; T100-A103 PolarHBondContact O-N 3.41Å; T100-A103 WeakPolarHBondContact OG1-CB 3.42Å; T100-A103 PolarHBondContact OG1-N 2.97Å; T100-A104 WeakPolarHBondContact O-CB 3.49Å; T100-A104 PolarHBondContact O-N 3.12Å; T100-W112 HydrophobicContact CG2-CZ2 4.49Å; T100-G135 WeakPolarHBondContact CG2-O 3.28Å; T100-C136 VanDerWaalsContact CG2-CA 3.41Å; T100-C136 HydrophobicContact CG2-CB 4.16Å; T100-E139 VanDerWaalsContact CB-OE1 3.23Å; T100-E139 WeakPolarHBondContact CB-OE1 3.13Å; T100-E139 HydrophobicContact CG2-CG 3.86Å; T100-E139 VanDerWaalsContact CG2-OE1 3.28Å; T100-E139 WeakPolarHBondContact CG2-OE1 3.38Å; T100-E139 PolarHBondContact OG1-OE1 3.43Å
101M97.1Very high93.9Very high0 Ų034.8 Ų34.80%021%0.214CC..Hα-helixtrans-64.8-34.4170.2-161.672.8-156.900112.4F57 P59 R62 A104 N105F57-M101 HydrophobicContact CD1-CB 4.36Å; F57-M101 HydrophobicContact CD2-CB 3.84Å; F57-M101 HydrophobicContact CD2-CG 4.49Å; F57-M101 HydrophobicContact CE1-CB 3.91Å; F57-M101 HydrophobicContact CE1-CG 4.38Å; F57-M101 HydrophobicContact CE2-CB 3.29Å; F57-M101 HydrophobicContact CE2-CG 3.51Å; F57-M101 HydrophobicContact CE2-SD 4.33Å; F57-M101 HydrophobicContact CG-CB 4.34Å; F57-M101 HydrophobicContact CZ-CB 3.36Å; F57-M101 HydrophobicContact CZ-CG 3.46Å; F57-M101 VanDerWaalsContact CZ-CG 3.46Å; F57-M101 PolarHBondContact O-N 3.43Å; P59-M101 HydrophobicContact CB-SD 3.82Å; P59-M101 HydrophobicContact CG-SD 4.32Å; R62-M101 HydrophobicContact CB-SD 4.47Å; R62-M101 HydrophobicContact CG-SD 4.45Å; M101-A104 PolarHBondContact O-N 3.36Å; M101-N105 WeakPolarHBondContact CE-ND2 3.4Å; M101-N105 WeakPolarHBondContact CE-OD1 3.41Å; M101-N105 PolarHBondContact O-N 3.22Å; M101-N105 VanDerWaalsContact O-N 3.1Å
102C96.6Very high94.1Very high1 Ų133.6 Ų33.61%0.00721%0.205CC..Hα-helixtrans-63.9-45.5176.1-168.80000111.3P83 T100 A104 N105 A106 C115 E139P83-C102 HydrophobicContact CG-CB 3.89Å; T100-C102 VanDerWaalsContact C-N 3.28Å; T100-C102 PolarHBondContact O-N 3.32Å; T100-C102 PolarHBondContact OG1-N 2.82Å; C102-A104 VanDerWaalsContact C-N 3.32Å; C102-A104 PolarHBondContact O-N 3.21Å; C102-N105 PolarHBondContact O-N 3.28Å; C102-A106 WeakPolarHBondContact O-CB 3.43Å; C102-A106 PolarHBondContact O-N 2.82Å; C102-C115 PolarHBondContact SG-SG 3.3Å; C102-E139 VanDerWaalsContact CB-OE1 3.32Å; C102-E139 WeakPolarHBondContact CB-OE1 3.4Å
103A96.8Very high94.3Very high0 Ų029.1 Ų29.10%018%0.178CC..Hα-helixtrans-61.6-41.7175.400000111.7R26 L99 T100 N105 W112R26-A103 PolarHBondContact NH1-O 2.92Å; L99-A103 HydrophobicContact CB-CB 4.12Å; L99-A103 HydrophobicContact CD2-CB 4.1Å; T100-A103 PolarHBondContact O-N 3.41Å; T100-A103 WeakPolarHBondContact OG1-CB 3.42Å; T100-A103 PolarHBondContact OG1-N 2.97Å; A103-N105 VanDerWaalsContact C-N 3.31Å; A103-N105 PolarHBondContact O-N 3.03Å; A103-W112 HydrophobicContact CB-CD2 3.45Å; A103-W112 VanDerWaalsContact CB-CD2 3.45Å; A103-W112 HydrophobicContact CB-CE3 3.63Å; A103-W112 HydrophobicContact CB-CG 4.07Å; A103-W112 HydrophobicContact CB-CH2 3.72Å; A103-W112 HydrophobicContact CB-CZ2 3.54Å; A103-W112 HydrophobicContact CB-CZ3 3.74Å
104A96.2Very high94.3Very high0 Ų030.4 Ų30.40%018%0.182CC..Hα-helixtrans-63.8-35.6-179.200000112.9V88 I89 A94 T100 M101 C102V88-A104 WeakPolarHBondContact CB-O 3.28Å; I89-A104 HydrophobicContact CB-CB 4.31Å; I89-A104 WeakPolarHBondContact CB-O 3.26Å; I89-A104 PolarHBondContact N-O 3.01Å; I89-A104 VanDerWaalsContact N-O 3.1Å; A94-A104 HydrophobicContact CB-CB 3.58Å; T100-A104 WeakPolarHBondContact O-CB 3.49Å; T100-A104 PolarHBondContact O-N 3.12Å; M101-A104 PolarHBondContact O-N 3.36Å; C102-A104 VanDerWaalsContact C-N 3.32Å; C102-A104 PolarHBondContact O-N 3.21Å
105N96.6Very high94.4Very high9 Ų930.4 Ų30.45%0.04818%0.182CC..Hα-helixtrans-97.8-13.1-176-73.8-4.3000114.3I82 P83 G85 E87 V88 M101 C102 A103I82-N105 HydrophobicContact CG2-CB 4.41Å; I82-N105 WeakPolarHBondContact O-CB 3.43Å; P83-N105 PolarHBondContact O-ND2 3.39Å; G85-N105 PolarHBondContact O-ND2 2.81Å; E87-N105 WeakPolarHBondContact CA-OD1 3.49Å; V88-N105 WeakPolarHBondContact CG2-O 3.26Å; M101-N105 WeakPolarHBondContact CE-ND2 3.4Å; M101-N105 WeakPolarHBondContact CE-OD1 3.41Å; M101-N105 PolarHBondContact O-N 3.22Å; M101-N105 VanDerWaalsContact O-N 3.1Å; C102-N105 PolarHBondContact O-N 3.28Å; A103-N105 VanDerWaalsContact C-N 3.31Å; A103-N105 PolarHBondContact O-N 3.03Å
106A96Very high94.5Very high0 Ų027.9 Ų27.90%016%0.164CC..SBendtrans-65.9137.7171.200000110.6R26 I82 C102 N108 Q111 W112R26-A106 PolarHBondContact NH1-O 2.9Å; R26-A106 PolarHBondContact NH2-O 3.28Å; I82-A106 HydrophobicContact CG2-CB 4.01Å; C102-A106 WeakPolarHBondContact O-CB 3.43Å; C102-A106 PolarHBondContact O-N 2.82Å; A106-N108 VanDerWaalsContact C-N 3.28Å; A106-N108 PolarHBondContact O-N 3.03Å; A106-Q111 HydrophobicContact CB-CB 4.4Å; A106-W112 HydrophobicContact CB-CB 3.77Å
107T93Very high94.6Very high93 Ų9326.5 Ų26.557%0.57115%0.15SC*.SBendtrans-64.1-33.5-179.657.20000112.5R26 Q111R26-T107 VanDerWaalsContact NH2-C 3.33Å; R26-T107 PolarHBondContact NH2-O 3.12Å; T107-Q111 PolarHBondContact OG1-OE1 2.84Å
108N91.5Very high94.7Very high74 Ų7429.5 Ų29.540%0.39616%0.162SC..SBendtrans-148.8170.6176.260.355.9000110.7R26 A106 A110 Q111 W112R26-N108 PolarHBondContact NH1-O 2.82Å; R26-N108 VanDerWaalsContact NH2-CA 3.25Å; A106-N108 VanDerWaalsContact C-N 3.28Å; A106-N108 PolarHBondContact O-N 3.03Å; N108-A110 VanDerWaalsContact C-N 3.33Å; N108-A110 PolarHBondContact O-N 2.72Å; N108-A110 WeakPolarHBondContact OD1-CB 3.36Å; N108-A110 PolarHBondContact OD1-N 2.88Å; N108-A110 VanDerWaalsContact OD1-N 3.08Å; N108-Q111 PolarHBondContact O-N 3.35Å; N108-Q111 PolarHBondContact OD1-N 3.08Å; N108-W112 PolarHBondContact O-N 2.84Å
109H92.3Very high94.9Very high20 Ų2029 Ų299%0.09316%0.157CC..Hα-helixtrans-60.3-38.9178.3178.6-88000113.1E29 S30 W33 Q111 W112 V113E29-H109 HydrophobicContact CB-CB 4.03Å; E29-H109 WeakPolarHBondContact OE2-CB 3.2Å; S30-H109 WeakPolarHBondContact CA-NE2 3.47Å; W33-H109 VanDerWaalsContact CB-CE1 3.4Å; W33-H109 WeakPolarHBondContact CB-CE1 3.14Å; W33-H109 AromaticContact CD1-CE1 3.66Å; W33-H109 AromaticContact CD2-CE1 3.77Å; W33-H109 AromaticContact CG-CE1 3.29Å; H109-Q111 PolarHBondContact O-N 3.14Å; H109-W112 AromaticContact CD2-CE3 3.87Å; H109-W112 WeakPolarHBondContact O-CB 3.37Å; H109-W112 PolarHBondContact O-N 3.13Å; H109-W112 VanDerWaalsContact O-N 3.15Å; H109-V113 WeakPolarHBondContact CE1-CG2 3.47Å; H109-V113 WeakPolarHBondContact O-CG2 3.3Å; H109-V113 PolarHBondContact O-N 3.36Å
110A93Very high94.9Very high66 Ų6629.5 Ų29.555%0.54516%0.161SC..Hα-helixtrans-62-42.4-178.900000112.2N108 W112 V113 E114N108-A110 VanDerWaalsContact C-N 3.33Å; N108-A110 PolarHBondContact O-N 2.72Å; N108-A110 WeakPolarHBondContact OD1-CB 3.36Å; N108-A110 PolarHBondContact OD1-N 2.88Å; N108-A110 VanDerWaalsContact OD1-N 3.08Å; A110-W112 VanDerWaalsContact C-N 3.29Å; A110-W112 PolarHBondContact O-N 3.49Å; A110-V113 PolarHBondContact O-N 2.99Å; A110-E114 WeakPolarHBondContact O-CB 3.47Å; A110-E114 PolarHBondContact O-N 3.17Å
111Q95.3Very high94.8Very high58 Ų5829.5 Ų29.527%0.27116%0.161SC..Hα-helixtrans-64.2-35.1175.9-169.6-17531.300112.1I82 A106 T107 N108 H109 C115I82-Q111 HydrophobicContact CD1-CG 3.88Å; A106-Q111 HydrophobicContact CB-CB 4.4Å; T107-Q111 PolarHBondContact OG1-OE1 2.84Å; N108-Q111 PolarHBondContact O-N 3.35Å; N108-Q111 PolarHBondContact OD1-N 3.08Å; H109-Q111 PolarHBondContact O-N 3.14Å; Q111-C115 VanDerWaalsContact O-CB 3.28Å; Q111-C115 WeakPolarHBondContact O-CB 3.41Å; Q111-C115 PolarHBondContact O-N 3.28Å
112W96.4Very high94.8Very high1 Ų129.6 Ų29.60%0.00416%0.161CC..Hα-helixtrans-65.1-46.2174.1175.327.3000111.4R26 L99 T100 A103 A106 N108 H109 A110 C115 V116 W138 E139R26-W112 HydrophobicContact CG-CE3 4.4Å; R26-W112 HydrophobicContact CG-CZ3 4.43Å; L99-W112 HydrophobicContact CD2-CH2 4.46Å; L99-W112 HydrophobicContact CD2-CZ3 4.38Å; T100-W112 HydrophobicContact CG2-CZ2 4.49Å; A103-W112 HydrophobicContact CB-CD2 3.45Å; A103-W112 VanDerWaalsContact CB-CD2 3.45Å; A103-W112 HydrophobicContact CB-CE3 3.63Å; A103-W112 HydrophobicContact CB-CG 4.07Å; A103-W112 HydrophobicContact CB-CH2 3.72Å; A103-W112 HydrophobicContact CB-CZ2 3.54Å; A103-W112 HydrophobicContact CB-CZ3 3.74Å; A106-W112 HydrophobicContact CB-CB 3.77Å; N108-W112 PolarHBondContact O-N 2.84Å; H109-W112 AromaticContact CD2-CE3 3.87Å; H109-W112 WeakPolarHBondContact O-CB 3.37Å; H109-W112 PolarHBondContact O-N 3.13Å; H109-W112 VanDerWaalsContact O-N 3.15Å; A110-W112 VanDerWaalsContact C-N 3.29Å; A110-W112 PolarHBondContact O-N 3.49Å; W112-C115 WeakPolarHBondContact O-CB 3.33Å; W112-C115 PolarHBondContact O-N 2.7Å; W112-V116 PolarHBondContact O-N 3Å; W112-W138 AromaticContact CD2-CZ3 3.94Å; W112-W138 HydrophobicContact CD2-CZ3 3.94Å; W112-W138 AromaticContact CE2-CE3 3.71Å; W112-W138 AromaticContact CE2-CZ3 3.4Å; W112-W138 VanDerWaalsContact CE2-CZ3 3.4Å; W112-W138 HydrophobicContact CG-CZ3 4.45Å; W112-W138 AromaticContact CH2-CE3 3.83Å; W112-W138 HydrophobicContact CH2-CE3 3.83Å; W112-W138 HydrophobicContact CH2-CZ3 4.19Å; W112-W138 HydrophobicContact CZ2-CD2 4.35Å; W112-W138 AromaticContact CZ2-CE3 3.31Å; W112-W138 HydrophobicContact CZ2-CE3 3.31Å; W112-W138 AromaticContact CZ2-CZ3 3.55Å; W112-W138 HydrophobicContact CZ2-CZ3 3.55Å; W112-W138 AromaticContact NE1-CZ3 3.67Å; W112-E139 HydrophobicContact CZ2-CG 4.03Å; W112-E139 PolarHBondContact NE1-OE1 3.24Å
113V94.4Very high94.9Very high11 Ų1129.5 Ų29.57%0.06716%0.161CC..Hα-helixtrans-59.4-53.5176.1176.50000110.5W33 H109 A110 C115 V116 E117 W138W33-V113 HydrophobicContact CD2-CG2 4.49Å; W33-V113 HydrophobicContact CH2-CG1 4.38Å; W33-V113 HydrophobicContact CZ2-CG1 3.93Å; W33-V113 HydrophobicContact CZ2-CG2 4.38Å; H109-V113 WeakPolarHBondContact CE1-CG2 3.47Å; H109-V113 WeakPolarHBondContact O-CG2 3.3Å; H109-V113 PolarHBondContact O-N 3.36Å; A110-V113 PolarHBondContact O-N 2.99Å; V113-C115 PolarHBondContact O-N 2.84Å; V113-V116 PolarHBondContact O-N 3.21Å; V113-E117 HydrophobicContact CG1-CG 4.01Å; V113-E117 WeakPolarHBondContact O-CG 3.38Å; V113-E117 PolarHBondContact O-N 3.21Å; V113-W138 HydrophobicContact CB-CH2 4.33Å; V113-W138 HydrophobicContact CG2-CH2 3.73Å; V113-W138 HydrophobicContact CG2-CZ2 4.08Å
114E93.5Very high95Very high97 Ų9729.5 Ų29.545%0.45316%0.161SC..Hα-helixtrans-53.2-41.4180-178.5-178.5-171.600112A110 V116 E117 Q118A110-E114 WeakPolarHBondContact O-CB 3.47Å; A110-E114 PolarHBondContact O-N 3.17Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 2.9Å; E114-E117 PolarHBondContact O-N 2.92Å; E114-Q118 HydrophobicContact CG-CG 4.22Å; E114-Q118 VanDerWaalsContact CG-NE2 3.26Å; E114-Q118 WeakPolarHBondContact O-CB 3.23Å; E114-Q118 VanDerWaalsContact O-CG 3.29Å; E114-Q118 WeakPolarHBondContact O-CG 3.33Å; E114-Q118 PolarHBondContact O-N 2.91Å; E114-Q118 PolarHBondContact OE1-NE2 2.78Å
115C95.4Very high95Very high1 Ų129.5 Ų29.51%0.00716%0.161CC..Hα-helixtrans-57.4-43.1175.7-179.80000113.2N80 I82 C102 Q111 W112 V113 A119N80-C115 PolarHBondContact ND2-SG 3.04Å; N80-C115 PolarHBondContact OD1-SG 2.84Å; I82-C115 HydrophobicContact CD1-CB 3.69Å; C102-C115 PolarHBondContact SG-SG 3.3Å; Q111-C115 VanDerWaalsContact O-CB 3.28Å; Q111-C115 WeakPolarHBondContact O-CB 3.41Å; Q111-C115 PolarHBondContact O-N 3.28Å; W112-C115 WeakPolarHBondContact O-CB 3.33Å; W112-C115 PolarHBondContact O-N 2.7Å; V113-C115 PolarHBondContact O-N 2.84Å; C115-A119 PolarHBondContact O-N 3.39Å
116V95.3Very high95Very high0 Ų029.1 Ų29.10%016%0.159CC..Hα-helixtrans-71.8-40.2178.1-178.80000110.9L54 W112 V113 E114 A119 W138 E139 H142 F143L54-V116 HydrophobicContact CD2-CB 4.37Å; L54-V116 HydrophobicContact CD2-CG2 3.94Å; W112-V116 PolarHBondContact O-N 3Å; V113-V116 PolarHBondContact O-N 3.21Å; E114-V116 VanDerWaalsContact C-N 3.33Å; E114-V116 PolarHBondContact O-N 2.9Å; V116-A119 PolarHBondContact O-N 2.94Å; V116-W138 HydrophobicContact CG2-CZ3 4Å; V116-E139 HydrophobicContact CG2-CB 4.4Å; V116-E139 HydrophobicContact CG2-CG 3.9Å; V116-H142 HydrophobicContact CG1-CB 4.38Å; V116-F143 HydrophobicContact CG1-CB 4.01Å
117E92.8Very high94.9Very high78 Ų7829.2 Ų29.236%0.36416%0.159SC..Hα-helixtrans-65.9-42.3-179.9-62.6-164.5130.800112K44 V113 E114 A119 H142 F146K44-E117 IonicContact NZ-OE1 3.87Å; V113-E117 HydrophobicContact CG1-CG 4.01Å; V113-E117 WeakPolarHBondContact O-CG 3.38Å; V113-E117 PolarHBondContact O-N 3.21Å; E114-E117 PolarHBondContact O-N 2.92Å; E117-A119 VanDerWaalsContact C-N 3.3Å; E117-A119 PolarHBondContact O-N 2.89Å; E117-H142 IonicContact OE1-NE2 2.69Å; E117-F146 HydrophobicContact CB-CZ 4.1Å; E117-F146 HydrophobicContact CG-CE1 4.47Å; E117-F146 HydrophobicContact CG-CE2 4.16Å; E117-F146 HydrophobicContact CG-CZ 3.6Å; E117-F146 WeakPolarHBondContact OE1-CZ 3.4Å
118Q92.9Very high94.9Very high96 Ų9627.4 Ų27.445%0.44915%0.146SC..Hα-helixtrans-72-20.3179-72.3174.7-4.600113.4G51 E114 S120G51-Q118 VanDerWaalsContact CA-O 3.23Å; G51-Q118 WeakPolarHBondContact CA-O 3.26Å; E114-Q118 HydrophobicContact CG-CG 4.22Å; E114-Q118 VanDerWaalsContact CG-NE2 3.26Å; E114-Q118 WeakPolarHBondContact O-CB 3.23Å; E114-Q118 VanDerWaalsContact O-CG 3.29Å; E114-Q118 WeakPolarHBondContact O-CG 3.33Å; E114-Q118 PolarHBondContact O-N 2.91Å; E114-Q118 PolarHBondContact OE1-NE2 2.78Å; Q118-S120 PolarHBondContact O-N 2.9Å
119A95.7Very high95Very high1 Ų126 Ų261%0.00814%0.142CC..  trans-62.3137.2-177.300000111.4P52 L54 C115 V116 E117 F143 K153P52-A119 CarbonylContact O-C 3.58Å; P52-A119 WeakPolarHBondContact O-CA 3.39Å; L54-A119 HydrophobicContact CB-CB 3.55Å; L54-A119 HydrophobicContact CD2-CB 4.26Å; C115-A119 PolarHBondContact O-N 3.39Å; V116-A119 PolarHBondContact O-N 2.94Å; E117-A119 VanDerWaalsContact C-N 3.3Å; E117-A119 PolarHBondContact O-N 2.89Å; A119-F143 HydrophobicContact CB-CD2 4.16Å; A119-F143 HydrophobicContact CB-CE2 3.84Å; A119-F143 WeakPolarHBondContact O-CE2 3.21Å; A119-K153 WeakPolarHBondContact O-CE 3.34Å; A119-K153 PolarHBondContact O-NZ 3.5Å
120S94.8Very high95.2Very high14 Ų1425 Ų2510%0.09814%0.138CC..SBendtrans-93.3-31174.2-65.90000112.9G51 P52 Q118G51-S120 PolarHBondContact N-OG 3.23Å; G51-S120 WeakPolarHBondContact O-CB 3.2Å; G51-S120 PolarHBondContact O-OG 3.46Å; P52-S120 PolarHBondContact O-N 3.47Å; Q118-S120 PolarHBondContact O-N 2.9Å
121V95.8Very high95.1Very high0 Ų024 Ų240%012%0.12CC..EExtended strand (participates in β ladder)trans-137.3139.4-179.1-177.70000107.4V53 L54 P154 I156 F201 Y202V53-V121 CarbonylContact C-O 3.13Å; V53-V121 WeakPolarHBondContact CA-O 3.31Å; V53-V121 HydrophobicContact CG1-CB 4.28Å; V53-V121 HydrophobicContact CG1-CG1 4.41Å; V53-V121 HydrophobicContact CG2-CB 4.21Å; L54-V121 PolarHBondContact N-O 3.15Å; V121-P154 HydrophobicContact CB-CG 4.33Å; V121-P154 HydrophobicContact CG1-CG 4.16Å; V121-P154 HydrophobicContact CG2-CG 3.9Å; V121-I156 HydrophobicContact CG1-CD1 3.82Å; V121-I156 HydrophobicContact CG1-CG1 4.29Å; V121-F201 HydrophobicContact CG1-CB 4.49Å; V121-F201 HydrophobicContact CG2-CB 4.25Å; V121-Y202 HydrophobicContact CG2-CD2 4.14Å
122V97.4Very high94.9Very high1 Ų127 Ų271%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-111.1133.1170.7164.10000109.6L54 C56 F143 P154 I155 I156L54-V122 HydrophobicContact CB-CG2 4.05Å; L54-V122 HydrophobicContact CD2-CG2 4.13Å; L54-V122 HydrophobicContact CG-CG2 4.37Å; L54-V122 WeakPolarHBondContact O-CA 3.48Å; C56-V122 HydrophobicContact CB-CG1 3.74Å; V122-F143 HydrophobicContact CB-CD1 4.03Å; V122-F143 HydrophobicContact CB-CD2 4.49Å; V122-F143 HydrophobicContact CB-CE1 3.89Å; V122-F143 HydrophobicContact CB-CE2 4.36Å; V122-F143 HydrophobicContact CB-CG 4.31Å; V122-F143 HydrophobicContact CB-CZ 4.05Å; V122-F143 HydrophobicContact CG2-CB 4.16Å; V122-F143 HydrophobicContact CG2-CD1 3.72Å; V122-F143 HydrophobicContact CG2-CD2 3.41Å; V122-F143 VanDerWaalsContact CG2-CD2 3.41Å; V122-F143 HydrophobicContact CG2-CE1 3.82Å; V122-F143 HydrophobicContact CG2-CE2 3.5Å; V122-F143 VanDerWaalsContact CG2-CE2 3.5Å; V122-F143 HydrophobicContact CG2-CG 3.5Å; V122-F143 VanDerWaalsContact CG2-CG 3.5Å; V122-F143 HydrophobicContact CG2-CZ 3.7Å; V122-P154 PolarHBondContact N-O 2.94Å; V122-P154 VanDerWaalsContact N-O 3.1Å; V122-I155 HydrophobicContact CB-CG1 4.34Å; V122-I155 HydrophobicContact CG1-CG2 4.42Å; V122-I155 CarbonylContact O-C 3.57Å; V122-I155 WeakPolarHBondContact O-CA 3.29Å; V122-I156 PolarHBondContact O-N 2.88Å
123I98.3Very high94.7Very high0 Ų027.2 Ų27.20%014%0.139CC..EExtended strand (participates in β ladder)trans-102.9116.3165.1-48.6-175.6000107.6V53 L54 L55 C56 L72 F125 I156 V158 L194 V198V53-I123 HydrophobicContact CG1-CD1 3.87Å; V53-I123 HydrophobicContact CG1-CG1 3.74Å; L54-I123 PolarHBondContact O-N 3.41Å; L55-I123 HydrophobicContact CD2-CB 3.87Å; L55-I123 HydrophobicContact CD2-CD1 3.61Å; L55-I123 HydrophobicContact CD2-CG1 3.87Å; C56-I123 PolarHBondContact N-O 3.4Å; L72-I123 HydrophobicContact CD1-CD1 3.74Å; I123-F125 HydrophobicContact CB-CE2 3.93Å; I123-F125 HydrophobicContact CB-CZ 4.3Å; I123-F125 HydrophobicContact CG2-CD2 4.24Å; I123-F125 HydrophobicContact CG2-CE1 4.23Å; I123-F125 HydrophobicContact CG2-CE2 3.64Å; I123-F125 HydrophobicContact CG2-CZ 3.65Å; I123-I156 CarbonylContact C-O 3.58Å; I123-I156 WeakPolarHBondContact CA-O 3.44Å; I123-I156 HydrophobicContact CG1-CB 4.42Å; I123-I156 HydrophobicContact CG1-CD1 4.48Å; I123-I156 HydrophobicContact CG2-CB 4.47Å; I123-V158 HydrophobicContact CG2-CB 4.41Å; I123-V158 HydrophobicContact CG2-CG2 3.58Å; I123-L194 HydrophobicContact CD1-CD1 4.28Å; I123-L194 HydrophobicContact CG2-CD1 4.29Å; I123-V198 HydrophobicContact CD1-CG2 3.49Å; I123-V198 VanDerWaalsContact CD1-CG2 3.49Å; I123-V198 HydrophobicContact CG1-CG2 4.25Å
124A97.9Very high94.6Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans-96.1113179.700000109.9L126 F130 I155 I156 V158 I174A124-L126 HydrophobicContact CB-CD2 3.96Å; A124-L126 WeakPolarHBondContact O-CG 3.44Å; A124-L126 PolarHBondContact O-N 3.04Å; A124-F130 HydrophobicContact CB-CE1 4.35Å; A124-F130 HydrophobicContact CB-CZ 3.85Å; A124-I155 HydrophobicContact CB-CG2 3.97Å; A124-I156 PolarHBondContact N-O 2.93Å; A124-V158 PolarHBondContact O-N 3.25Å; A124-I174 HydrophobicContact CB-CD1 4.32Å
125F97.7Very high94.7Very high0 Ų025.9 Ų25.90%014%0.14CC..EExtended strand (participates in β ladder)trans-92.4100.1-179-67.7-88000111.4L55 C56 F57 N61 V65 V68 I123 F130 V158 L160L55-F125 HydrophobicContact CB-CD2 4.47Å; L55-F125 HydrophobicContact CB-CE2 3.8Å; L55-F125 HydrophobicContact CD1-CE2 3.78Å; L55-F125 HydrophobicContact CD1-CZ 3.95Å; L55-F125 HydrophobicContact CD2-CE2 3.97Å; L55-F125 HydrophobicContact CD2-CZ 4.36Å; L55-F125 HydrophobicContact CG-CE2 4.04Å; C56-F125 PolarHBondContact O-N 3.17Å; F57-F125 HydrophobicContact CB-CB 3.83Å; F57-F125 HydrophobicContact CB-CD2 4.1Å; F57-F125 HydrophobicContact CB-CG 4.33Å; N61-F125 PolarHBondContact ND2-O 3.2Å; V65-F125 HydrophobicContact CG1-CD2 4.02Å; V65-F125 HydrophobicContact CG1-CE1 4.46Å; V65-F125 HydrophobicContact CG1-CE2 3.75Å; V65-F125 HydrophobicContact CG1-CG 4.49Å; V65-F125 HydrophobicContact CG1-CZ 3.98Å; V65-F125 HydrophobicContact CG2-CB 3.91Å; V65-F125 HydrophobicContact CG2-CD1 3.75Å; V65-F125 HydrophobicContact CG2-CD2 3.84Å; V65-F125 HydrophobicContact CG2-CE1 4.19Å; V65-F125 HydrophobicContact CG2-CE2 4.29Å; V65-F125 HydrophobicContact CG2-CG 3.54Å; V65-F125 HydrophobicContact CG2-CZ 4.44Å; V68-F125 HydrophobicContact CB-CE1 4.1Å; V68-F125 HydrophobicContact CB-CZ 4.28Å; V68-F125 HydrophobicContact CG1-CE1 3.89Å; V68-F125 HydrophobicContact CG1-CZ 3.86Å; V68-F125 HydrophobicContact CG2-CE1 4.13Å; I123-F125 HydrophobicContact CB-CE2 3.93Å; I123-F125 HydrophobicContact CB-CZ 4.3Å; I123-F125 HydrophobicContact CG2-CD2 4.24Å; I123-F125 HydrophobicContact CG2-CE1 4.23Å; I123-F125 HydrophobicContact CG2-CE2 3.64Å; I123-F125 HydrophobicContact CG2-CZ 3.65Å; F125-F130 WeakPolarHBondContact O-CB 3.27Å; F125-F130 WeakPolarHBondContact O-CD2 3.29Å; F125-F130 WeakPolarHBondContact O-CG 3.4Å; F125-V158 CarbonylContact C-O 3.42Å; F125-V158 WeakPolarHBondContact CA-O 3.48Å; F125-V158 HydrophobicContact CD1-CB 3.8Å; F125-V158 HydrophobicContact CD1-CG1 3.71Å; F125-V158 HydrophobicContact CD1-CG2 4.48Å; F125-V158 HydrophobicContact CE1-CB 4.05Å; F125-V158 HydrophobicContact CE1-CG1 3.88Å; F125-V158 HydrophobicContact CE1-CG2 4.27Å; F125-L160 HydrophobicContact CB-CD1 3.7Å; F125-L160 HydrophobicContact CB-CG 4.19Å; F125-L160 HydrophobicContact CD1-CD1 3.86Å; F125-L160 HydrophobicContact CD1-CD2 4.06Å; F125-L160 HydrophobicContact CD1-CG 4Å; F125-L160 HydrophobicContact CG-CD1 4.17Å
126L96Very high94.7Very high0 Ų025.9 Ų25.90%014%0.139CC..EExtended strand (participates in β ladder)trans-84.1127.7-165.2-49.3178.8000112.6A124 F130 P157 V158 I159 L160 Q161 F164 L166 L170 I174A124-L126 HydrophobicContact CB-CD2 3.96Å; A124-L126 WeakPolarHBondContact O-CG 3.44Å; A124-L126 PolarHBondContact O-N 3.04Å; L126-F130 HydrophobicContact CD2-CD1 3.76Å; L126-F130 HydrophobicContact CD2-CE1 3.66Å; L126-F130 HydrophobicContact CD2-CZ 4.4Å; L126-P157 HydrophobicContact CD1-CB 3.67Å; L126-P157 HydrophobicContact CG-CB 4.44Å; L126-V158 WeakPolarHBondContact CB-O 3.35Å; L126-V158 PolarHBondContact N-O 3.12Å; L126-I159 HydrophobicContact CB-CG1 4.49Å; L126-I159 HydrophobicContact CD1-CG1 4.2Å; L126-L160 PolarHBondContact O-N 3.11Å; L126-Q161 PolarHBondContact O-N 3.49Å; L126-F164 HydrophobicContact CB-CD1 4.02Å; L126-F164 HydrophobicContact CB-CE1 3.69Å; L126-F164 HydrophobicContact CB-CZ 4.25Å; L126-F164 HydrophobicContact CD1-CE1 4.24Å; L126-L166 HydrophobicContact CD1-CD2 3.38Å; L126-L166 HydrophobicContact CD1-CG 4.31Å; L126-L170 HydrophobicContact CD2-CD1 4.44Å; L126-L170 HydrophobicContact CD2-CD2 4.11Å; L126-I174 HydrophobicContact CD1-CD1 4.44Å; L126-I174 HydrophobicContact CD2-CD1 3.9Å
127S93.8Very high94.6Very high2 Ų227.2 Ų27.21%0.01415%0.145CC..SBendtrans-154.5174.1171.262.90000108.6N61 S129 F130 R131 F164N61-S127 PolarHBondContact ND2-OG 2.89Å; S127-S129 VanDerWaalsContact C-N 3.31Å; S127-S129 PolarHBondContact O-N 3.02Å; S127-S129 PolarHBondContact OG-N 2.9Å; S127-S129 PolarHBondContact OG-OG 3.22Å; S127-F130 WeakPolarHBondContact O-CB 3.42Å; S127-F130 PolarHBondContact O-N 3.25Å; S127-F130 PolarHBondContact OG-N 3.17Å; S127-F130 VanDerWaalsContact OG-N 3.14Å; S127-R131 PolarHBondContact O-N 3.49Å; S127-F164 VanDerWaalsContact O-CE2 3.29Å; S127-F164 WeakPolarHBondContact O-CE2 3.36Å
128D93.1Very high94.6Very high56 Ų5624.1 Ų24.130%0.29913%0.13SC..Hα-helixtrans-62.8-39.1172.2-77.1-43.2000111.6F130 R131 L132 Q161D128-F130 VanDerWaalsContact C-N 3.29Å; D128-F130 PolarHBondContact O-N 3.42Å; D128-R131 PolarHBondContact O-N 3.42Å; D128-R131 IonicContact OD1-CZ 3.12Å; D128-R131 IonicContact OD1-NE 2.8Å; D128-R131 PolarHBondContact OD1-NE 2.84Å; D128-R131 IonicContact OD1-NH2 2.72Å; D128-R131 PolarHBondContact OD1-NH2 2.97Å; D128-L132 WeakPolarHBondContact O-CB 3.43Å; D128-L132 VanDerWaalsContact O-CG 3.23Å; D128-L132 WeakPolarHBondContact O-CG 3.47Å; D128-L132 PolarHBondContact O-N 2.84Å; D128-Q161 PolarHBondContact OD2-NE2 3.37Å
129S93.6Very high94.7Very high44 Ų4419.7 Ų19.731%0.30811%0.109SC..Hα-helixtrans-62.2-35.717556.50000112.9S58 S60 S127 S133S58-S129 WeakPolarHBondContact OG-CB 3.29Å; S58-S129 PolarHBondContact OG-OG 3.34Å; S60-S129 WeakPolarHBondContact OG-CB 3.48Å; S60-S129 PolarHBondContact OG-OG 2.84Å; S127-S129 VanDerWaalsContact C-N 3.31Å; S127-S129 PolarHBondContact O-N 3.02Å; S127-S129 PolarHBondContact OG-N 2.9Å; S127-S129 PolarHBondContact OG-OG 3.22Å; S129-S133 VanDerWaalsContact O-CB 3.26Å; S129-S133 WeakPolarHBondContact O-CB 3.36Å; S129-S133 PolarHBondContact O-N 2.93Å
130F95.4Very high94.7Very high0 Ų019.6 Ų19.60%011%0.108CC..Hα-helixtrans-66-50.6172.3-178.3-90.1000111.5C56 A124 F125 L126 S127 D128 L132 S133 C136 V140 W169 L170C56-F130 HydrophobicContact CB-CE2 4.31Å; C56-F130 VanDerWaalsContact O-CE2 3.31Å; C56-F130 WeakPolarHBondContact O-CE2 3.26Å; C56-F130 WeakPolarHBondContact SG-CE2 3.28Å; A124-F130 HydrophobicContact CB-CE1 4.35Å; A124-F130 HydrophobicContact CB-CZ 3.85Å; F125-F130 WeakPolarHBondContact O-CB 3.27Å; F125-F130 WeakPolarHBondContact O-CD2 3.29Å; F125-F130 WeakPolarHBondContact O-CG 3.4Å; L126-F130 HydrophobicContact CD2-CD1 3.76Å; L126-F130 HydrophobicContact CD2-CE1 3.66Å; L126-F130 HydrophobicContact CD2-CZ 4.4Å; S127-F130 WeakPolarHBondContact O-CB 3.42Å; S127-F130 PolarHBondContact O-N 3.25Å; S127-F130 PolarHBondContact OG-N 3.17Å; S127-F130 VanDerWaalsContact OG-N 3.14Å; D128-F130 VanDerWaalsContact C-N 3.29Å; D128-F130 PolarHBondContact O-N 3.42Å; F130-L132 VanDerWaalsContact C-N 3.26Å; F130-L132 PolarHBondContact O-N 3.5Å; F130-S133 PolarHBondContact O-N 2.82Å; F130-S133 VanDerWaalsContact O-N 3.15Å; F130-C136 HydrophobicContact CD1-CB 4.4Å; F130-C136 HydrophobicContact CD2-CB 3.65Å; F130-C136 WeakPolarHBondContact CD2-SG 3.3Å; F130-C136 HydrophobicContact CE1-CB 4.32Å; F130-C136 HydrophobicContact CE2-CB 3.58Å; F130-C136 HydrophobicContact CG-CB 4.08Å; F130-C136 HydrophobicContact CZ-CB 3.93Å; F130-C136 WeakPolarHBondContact O-CB 3.35Å; F130-V140 HydrophobicContact CZ-CG2 3.93Å; F130-W169 HydrophobicContact CD1-CH2 4.46Å; F130-W169 AromaticContact CE1-CH2 3.78Å; F130-W169 HydrophobicContact CE1-CH2 3.78Å; F130-W169 HydrophobicContact CE1-CZ2 4.27Å; F130-W169 HydrophobicContact CZ-CH2 4.46Å; F130-L170 HydrophobicContact CD1-CD2 4.13Å; F130-L170 HydrophobicContact CE1-CD2 3.72Å
131R92Very high94.5Very high45 Ų4522.1 Ų22.117%0.1712%0.118CC..Hα-helixtrans-60.9-35.5-177.1-175.6169.760.2109.8-0.3112.7S127 D128 F164 T167 W169 L170 E360S127-R131 PolarHBondContact O-N 3.49Å; D128-R131 PolarHBondContact O-N 3.42Å; D128-R131 IonicContact OD1-CZ 3.12Å; D128-R131 IonicContact OD1-NE 2.8Å; D128-R131 PolarHBondContact OD1-NE 2.84Å; D128-R131 IonicContact OD1-NH2 2.72Å; D128-R131 PolarHBondContact OD1-NH2 2.97Å; R131-F164 HydrophobicContact CB-CE2 4.31Å; R131-F164 HydrophobicContact CB-CZ 4.25Å; R131-T167 PolarHBondContact NH1-OG1 3.45Å; R131-W169 PolarHBondContact O-NE1 3.37Å; R131-L170 HydrophobicContact CB-CD1 3.88Å; R131-L170 HydrophobicContact CG-CD1 3.76Å; R131-L170 HydrophobicContact CG-CG 4.39Å; R131-E360 IonicContact NH1-OE1 3.88Å; R131-E360 PolarHBondContact NH1-OE1 3.48Å; R131-E360 VanDerWaalsContact NH1-OE1 3.1Å
132L90.5Very high94.3Very high119 Ų11922.3 Ų22.362%0.62312%0.119SC*.Hα-helixtrans-86.9-10.7-179.5-63.7174.1000113.5D128 F130 P134D128-L132 WeakPolarHBondContact O-CB 3.43Å; D128-L132 VanDerWaalsContact O-CG 3.23Å; D128-L132 WeakPolarHBondContact O-CG 3.47Å; D128-L132 PolarHBondContact O-N 2.84Å; F130-L132 VanDerWaalsContact C-N 3.26Å; F130-L132 PolarHBondContact O-N 3.5Å; L132-P134 VanDerWaalsContact O-CD 3.26Å; L132-P134 WeakPolarHBondContact O-CD 3.03Å
133S92.5Very high94Very high7 Ų722.3 Ų22.35%0.04912%0.119CC..  trans-79.8115.7179.9163.10000110.7G98 S129 F130 G135 C136 R137G98-S133 PolarHBondContact O-OG 3.15Å; S129-S133 VanDerWaalsContact O-CB 3.26Å; S129-S133 WeakPolarHBondContact O-CB 3.36Å; S129-S133 PolarHBondContact O-N 2.93Å; F130-S133 PolarHBondContact O-N 2.82Å; F130-S133 VanDerWaalsContact O-N 3.15Å; S133-G135 PolarHBondContact O-N 3.29Å; S133-G135 PolarHBondContact OG-N 3.13Å; S133-C136 VanDerWaalsContact CB-SG 3.55Å; S133-C136 PolarHBondContact O-N 3Å; S133-C136 PolarHBondContact OG-N 3.46Å; S133-C136 PolarHBondContact OG-SG 3.44Å; S133-R137 PolarHBondContact O-N 3.47Å
134P92.2Very high93.6Very high75 Ų7523 Ų2349%0.48712%0.124SC..Hα-helixtrans-60.6-33.2172.823.9-34.7000112.4G98 L132 R137 W138G98-P134 WeakPolarHBondContact O-CD 3.46Å; L132-P134 VanDerWaalsContact O-CD 3.26Å; L132-P134 WeakPolarHBondContact O-CD 3.03Å; P134-R137 PolarHBondContact O-N 3.37Å; P134-W138 VanDerWaalsContact O-CB 3.31Å; P134-W138 WeakPolarHBondContact O-CB 3.24Å; P134-W138 PolarHBondContact O-N 3.49Å
135G94.8Very high93.1Very high5 Ų523.7 Ų23.75%0.05213%0.129CC..Hα-helixtrans-62.6-46173.200000112.3G98 T100 S133 R137 W138 E139G98-G135 WeakPolarHBondContact O-CA 3.38Å; G98-G135 PolarHBondContact O-N 3.33Å; T100-G135 WeakPolarHBondContact CG2-O 3.28Å; S133-G135 PolarHBondContact O-N 3.29Å; S133-G135 PolarHBondContact OG-N 3.13Å; G135-R137 VanDerWaalsContact C-N 3.32Å; G135-R137 PolarHBondContact O-N 3.1Å; G135-W138 PolarHBondContact O-N 2.76Å; G135-E139 PolarHBondContact O-N 3.15Å
136C95.9Very high92.4Very high0 Ų025.6 Ų25.60%014%0.137CC..Hα-helixtrans-64-42.7179.5-68.60000110.5T100 F130 S133 E139 V140T100-C136 VanDerWaalsContact CG2-CA 3.41Å; T100-C136 HydrophobicContact CG2-CB 4.16Å; F130-C136 HydrophobicContact CD1-CB 4.4Å; F130-C136 HydrophobicContact CD2-CB 3.65Å; F130-C136 WeakPolarHBondContact CD2-SG 3.3Å; F130-C136 HydrophobicContact CE1-CB 4.32Å; F130-C136 HydrophobicContact CE2-CB 3.58Å; F130-C136 HydrophobicContact CG-CB 4.08Å; F130-C136 HydrophobicContact CZ-CB 3.93Å; F130-C136 WeakPolarHBondContact O-CB 3.35Å; S133-C136 VanDerWaalsContact CB-SG 3.55Å; S133-C136 PolarHBondContact O-N 3Å; S133-C136 PolarHBondContact OG-N 3.46Å; S133-C136 PolarHBondContact OG-SG 3.44Å; C136-E139 PolarHBondContact O-N 3.4Å; C136-V140 WeakPolarHBondContact O-CG2 3.48Å; C136-V140 PolarHBondContact O-N 3.01Å
137R94Very high91.8Very high29 Ų2928 Ų2811%0.10915%0.15CC..Hα-helixtrans-58.8-47.7173.5-179.8174176.4-176.9-4.1111.8S133 P134 G135 E139 V140 E141 W169 W357S133-R137 PolarHBondContact O-N 3.47Å; P134-R137 PolarHBondContact O-N 3.37Å; G135-R137 VanDerWaalsContact C-N 3.32Å; G135-R137 PolarHBondContact O-N 3.1Å; R137-E139 PolarHBondContact O-N 3.33Å; R137-V140 PolarHBondContact O-N 3.32Å; R137-E141 HydrophobicContact CG-CG 4.21Å; R137-E141 IonicContact CZ-OE1 2.69Å; R137-E141 IonicContact NE-OE1 3.37Å; R137-E141 PolarHBondContact NE-OE1 2.85Å; R137-E141 IonicContact NE-OE2 3.76Å; R137-E141 IonicContact NH2-OE1 2.63Å; R137-E141 PolarHBondContact NH2-OE1 3.37Å; R137-E141 WeakPolarHBondContact O-CB 3.26Å; R137-E141 WeakPolarHBondContact O-CG 3.44Å; R137-E141 PolarHBondContact O-N 3.08Å; R137-W169 VanDerWaalsContact CA-CH2 3.44Å; R137-W169 HydrophobicContact CB-CD2 4.33Å; R137-W169 HydrophobicContact CB-CH2 3.9Å; R137-W169 HydrophobicContact CB-CZ2 3.67Å; R137-W169 HydrophobicContact CB-CZ3 4.31Å; R137-W169 HydrophobicContact CG-CD2 3.89Å; R137-W169 HydrophobicContact CG-CE3 4.03Å; R137-W169 HydrophobicContact CG-CG 4.39Å; R137-W169 HydrophobicContact CG-CH2 4.28Å; R137-W169 HydrophobicContact CG-CZ2 4.16Å; R137-W169 HydrophobicContact CG-CZ3 4.21Å; R137-W357 PolarHBondContact NH1-O 2.92Å
138W93.2Very high91Very high13 Ų1330.6 Ų30.65%0.04917%0.166CC..Hα-helixtrans-61.1-44.6179.7177.179.6000112W33 Q34 W112 V113 V116 P134 G135 V140 E141 H142W33-W138 AromaticContact CE3-CZ2 3.94Å; W33-W138 HydrophobicContact CE3-CZ2 3.94Å; W33-W138 HydrophobicContact CH2-CZ2 4.14Å; W33-W138 AromaticContact CZ3-CE2 3.97Å; W33-W138 AromaticContact CZ3-CZ2 3.57Å; W33-W138 HydrophobicContact CZ3-CZ2 3.57Å; W33-W138 AromaticContact CZ3-NE1 3.73Å; Q34-W138 VanDerWaalsContact CG-CD1 3.5Å; Q34-W138 VanDerWaalsContact CG-NE1 3.35Å; W112-W138 AromaticContact CD2-CZ3 3.94Å; W112-W138 HydrophobicContact CD2-CZ3 3.94Å; W112-W138 AromaticContact CE2-CE3 3.71Å; W112-W138 AromaticContact CE2-CZ3 3.4Å; W112-W138 VanDerWaalsContact CE2-CZ3 3.4Å; W112-W138 HydrophobicContact CG-CZ3 4.45Å; W112-W138 AromaticContact CH2-CE3 3.83Å; W112-W138 HydrophobicContact CH2-CE3 3.83Å; W112-W138 HydrophobicContact CH2-CZ3 4.19Å; W112-W138 HydrophobicContact CZ2-CD2 4.35Å; W112-W138 AromaticContact CZ2-CE3 3.31Å; W112-W138 HydrophobicContact CZ2-CE3 3.31Å; W112-W138 AromaticContact CZ2-CZ3 3.55Å; W112-W138 HydrophobicContact CZ2-CZ3 3.55Å; W112-W138 AromaticContact NE1-CZ3 3.67Å; V113-W138 HydrophobicContact CB-CH2 4.33Å; V113-W138 HydrophobicContact CG2-CH2 3.73Å; V113-W138 HydrophobicContact CG2-CZ2 4.08Å; V116-W138 HydrophobicContact CG2-CZ3 4Å; P134-W138 VanDerWaalsContact O-CB 3.31Å; P134-W138 WeakPolarHBondContact O-CB 3.24Å; P134-W138 PolarHBondContact O-N 3.49Å; G135-W138 PolarHBondContact O-N 2.76Å; W138-V140 VanDerWaalsContact C-N 3.32Å; W138-V140 PolarHBondContact O-N 3.35Å; W138-E141 PolarHBondContact O-N 3.28Å; W138-H142 HydrophobicContact CD2-CB 4.33Å; W138-H142 AromaticContact CH2-CD2 3.83Å; W138-H142 HydrophobicContact CZ2-CB 4.14Å; W138-H142 AromaticContact CZ2-CD2 3.79Å; W138-H142 AromaticContact CZ2-CG 3.87Å; W138-H142 WeakPolarHBondContact O-CA 3.1Å; W138-H142 WeakPolarHBondContact O-CB 3.5Å; W138-H142 PolarHBondContact O-N 3.25Å
139E95.3Very high89.8Confident2 Ų234.1 Ų34.11%0.00920%0.195CC..Hα-helixtrans-58.2-45.5177.6-74-173.1179.200111.9C56 T100 C102 W112 V116 G135 C136 R137 F143C56-E139 PolarHBondContact SG-OE2 2.9Å; T100-E139 VanDerWaalsContact CB-OE1 3.23Å; T100-E139 WeakPolarHBondContact CB-OE1 3.13Å; T100-E139 HydrophobicContact CG2-CG 3.86Å; T100-E139 VanDerWaalsContact CG2-OE1 3.28Å; T100-E139 WeakPolarHBondContact CG2-OE1 3.38Å; T100-E139 PolarHBondContact OG1-OE1 3.43Å; C102-E139 VanDerWaalsContact CB-OE1 3.32Å; C102-E139 WeakPolarHBondContact CB-OE1 3.4Å; W112-E139 HydrophobicContact CZ2-CG 4.03Å; W112-E139 PolarHBondContact NE1-OE1 3.24Å; V116-E139 HydrophobicContact CG2-CB 4.4Å; V116-E139 HydrophobicContact CG2-CG 3.9Å; G135-E139 PolarHBondContact O-N 3.15Å; C136-E139 PolarHBondContact O-N 3.4Å; R137-E139 PolarHBondContact O-N 3.33Å; E139-F143 WeakPolarHBondContact O-CB 3.12Å; E139-F143 PolarHBondContact O-N 2.93Å
140V93.9Very high88.9Confident0 Ų038.2 Ų38.20%022%0.218CC..Hα-helixtrans-68-45.8-179.7177.70000111.2F130 C136 R137 W138 S144 I155 W169 L173F130-V140 HydrophobicContact CZ-CG2 3.93Å; C136-V140 WeakPolarHBondContact O-CG2 3.48Å; C136-V140 PolarHBondContact O-N 3.01Å; R137-V140 PolarHBondContact O-N 3.32Å; W138-V140 VanDerWaalsContact C-N 3.32Å; W138-V140 PolarHBondContact O-N 3.35Å; V140-S144 WeakPolarHBondContact O-CB 3.45Å; V140-S144 PolarHBondContact O-N 3.4Å; V140-S144 PolarHBondContact O-OG 3.44Å; V140-I155 HydrophobicContact CG1-CD1 3.74Å; V140-W169 HydrophobicContact CB-CH2 4.44Å; V140-W169 HydrophobicContact CB-CZ3 4.01Å; V140-W169 HydrophobicContact CG1-CZ3 4.08Å; V140-W169 HydrophobicContact CG2-CH2 4.39Å; V140-W169 HydrophobicContact CG2-CZ3 4.36Å; V140-L173 HydrophobicContact CG1-CB 4.13Å; V140-L173 HydrophobicContact CG1-CD1 3.84Å
141E91.1Very high88.1Confident66 Ų6640.2 Ų40.231%0.30823%0.226SC..Hα-helixtrans-64.1-43.2177.9-76.2-178.9169.700111.4R137 W138 S144 S145 L173R137-E141 HydrophobicContact CG-CG 4.21Å; R137-E141 IonicContact CZ-OE1 2.69Å; R137-E141 IonicContact NE-OE1 3.37Å; R137-E141 PolarHBondContact NE-OE1 2.85Å; R137-E141 IonicContact NE-OE2 3.76Å; R137-E141 IonicContact NH2-OE1 2.63Å; R137-E141 PolarHBondContact NH2-OE1 3.37Å; R137-E141 WeakPolarHBondContact O-CB 3.26Å; R137-E141 WeakPolarHBondContact O-CG 3.44Å; R137-E141 PolarHBondContact O-N 3.08Å; W138-E141 PolarHBondContact O-N 3.28Å; E141-S144 PolarHBondContact O-N 3.26Å; E141-S145 PolarHBondContact O-N 2.96Å; E141-L173 HydrophobicContact CB-CD1 4.46Å; E141-L173 HydrophobicContact CG-CD1 3.44Å; E141-L173 VanDerWaalsContact CG-CD1 3.44Å
142H91.2Very high87.8Confident5 Ų541.4 Ų41.42%0.02324%0.241CC..Hα-helixtrans-67.3-44.6178.5-172.252.7000110.9W33 I39 V116 E117 W138 S144 S145 F146W33-H142 AromaticContact CH2-CE1 3.52Å; W33-H142 AromaticContact CH2-ND1 3.96Å; I39-H142 WeakPolarHBondContact CD1-ND1 3.47Å; V116-H142 HydrophobicContact CG1-CB 4.38Å; E117-H142 IonicContact OE1-NE2 2.69Å; W138-H142 HydrophobicContact CD2-CB 4.33Å; W138-H142 AromaticContact CH2-CD2 3.83Å; W138-H142 HydrophobicContact CZ2-CB 4.14Å; W138-H142 AromaticContact CZ2-CD2 3.79Å; W138-H142 AromaticContact CZ2-CG 3.87Å; W138-H142 WeakPolarHBondContact O-CA 3.1Å; W138-H142 WeakPolarHBondContact O-CB 3.5Å; W138-H142 PolarHBondContact O-N 3.25Å; H142-S144 VanDerWaalsContact C-N 3.35Å; H142-S144 PolarHBondContact O-N 3.03Å; H142-S145 WeakPolarHBondContact O-CB 3.49Å; H142-S145 PolarHBondContact O-N 3.36Å; H142-S145 VanDerWaalsContact O-N 3.1Å; H142-S145 PolarHBondContact O-OG 3.46Å; H142-F146 AromaticContact CE1-CE2 3.76Å; H142-F146 AromaticContact NE2-CE2 3.76Å; H142-F146 WeakPolarHBondContact O-CD2 3.33Å; H142-F146 VanDerWaalsContact O-CE2 3.3Å; H142-F146 WeakPolarHBondContact O-CE2 3.43Å
143F92.7Very high87.7Confident0 Ų036.9 Ų36.90%022%0.216CC..Hα-helixtrans-59.1-44.3174.3180-99.5000112.5V116 A119 V122 E139 S145 F146 K153 P154 I155V116-F143 HydrophobicContact CG1-CB 4.01Å; A119-F143 HydrophobicContact CB-CD2 4.16Å; A119-F143 HydrophobicContact CB-CE2 3.84Å; A119-F143 WeakPolarHBondContact O-CE2 3.21Å; V122-F143 HydrophobicContact CB-CD1 4.03Å; V122-F143 HydrophobicContact CB-CD2 4.49Å; V122-F143 HydrophobicContact CB-CE1 3.89Å; V122-F143 HydrophobicContact CB-CE2 4.36Å; V122-F143 HydrophobicContact CB-CG 4.31Å; V122-F143 HydrophobicContact CB-CZ 4.05Å; V122-F143 HydrophobicContact CG2-CB 4.16Å; V122-F143 HydrophobicContact CG2-CD1 3.72Å; V122-F143 HydrophobicContact CG2-CD2 3.41Å; V122-F143 VanDerWaalsContact CG2-CD2 3.41Å; V122-F143 HydrophobicContact CG2-CE1 3.82Å; V122-F143 HydrophobicContact CG2-CE2 3.5Å; V122-F143 VanDerWaalsContact CG2-CE2 3.5Å; V122-F143 HydrophobicContact CG2-CG 3.5Å; V122-F143 VanDerWaalsContact CG2-CG 3.5Å; V122-F143 HydrophobicContact CG2-CZ 3.7Å; E139-F143 WeakPolarHBondContact O-CB 3.12Å; E139-F143 PolarHBondContact O-N 2.93Å; F143-S145 PolarHBondContact O-N 2.92Å; F143-F146 PolarHBondContact O-N 3.04Å; F143-K153 HydrophobicContact CD1-CB 4.05Å; F143-K153 HydrophobicContact CD2-CD 4.37Å; F143-K153 HydrophobicContact CE1-CB 3.32Å; F143-K153 HydrophobicContact CE1-CG 4.5Å; F143-K153 HydrophobicContact CE2-CB 4.2Å; F143-K153 HydrophobicContact CE2-CD 4.06Å; F143-K153 VanDerWaalsContact CE2-NZ 3.34Å; F143-K153 HydrophobicContact CZ-CB 3.42Å; F143-K153 VanDerWaalsContact CZ-CB 3.42Å; F143-K153 HydrophobicContact CZ-CD 4.14Å; F143-K153 HydrophobicContact CZ-CG 4.31Å; F143-P154 WeakPolarHBondContact CE1-O 3.29Å; F143-I155 HydrophobicContact CD1-CD1 4.2Å; F143-I155 HydrophobicContact CD1-CG1 3.81Å; F143-I155 HydrophobicContact CE1-CG1 3.85Å
144S89.8Confident87.7Confident15 Ų1537 Ų3711%0.10522%0.217CC..Hα-helixtrans-69.6-18.5177.7-48.30000112.8V140 E141 H142 F146 D147 I155V140-S144 WeakPolarHBondContact O-CB 3.45Å; V140-S144 PolarHBondContact O-N 3.4Å; V140-S144 PolarHBondContact O-OG 3.44Å; E141-S144 PolarHBondContact O-N 3.26Å; H142-S144 VanDerWaalsContact C-N 3.35Å; H142-S144 PolarHBondContact O-N 3.03Å; S144-F146 PolarHBondContact O-N 3.14Å; S144-D147 VanDerWaalsContact O-CB 3.24Å; S144-D147 WeakPolarHBondContact O-CB 3.42Å; S144-D147 PolarHBondContact O-N 3.02Å; S144-D147 VanDerWaalsContact O-N 3.09Å; S144-I155 VanDerWaalsContact OG-CD1 3.28Å; S144-I155 WeakPolarHBondContact OG-CD1 3.42Å
145S87.2Confident87.9Confident14 Ų1433.9 Ų33.910%0.09820%0.196CC..THydrogen-bonded Turntrans-68.5-15.1178.877.70000113.4I39 E141 H142 F143 D147I39-S145 WeakPolarHBondContact CG2-OG 3.45Å; E141-S145 PolarHBondContact O-N 2.96Å; H142-S145 WeakPolarHBondContact O-CB 3.49Å; H142-S145 PolarHBondContact O-N 3.36Å; H142-S145 VanDerWaalsContact O-N 3.1Å; H142-S145 PolarHBondContact O-OG 3.46Å; F143-S145 PolarHBondContact O-N 2.92Å; S145-D147 VanDerWaalsContact C-N 3.29Å
146F83Confident87.9Confident41 Ų4133.7 Ų33.718%0.1819%0.194CC..THydrogen-bonded Turntrans-86.72.3173.9-65.2-94.7000113.3K44 E117 H142 F143 S144 T148 K153K44-F146 HydrophobicContact CD-CD1 3.7Å; K44-F146 HydrophobicContact CD-CE1 3.59Å; K44-F146 VanDerWaalsContact NZ-CZ 3.28Å; E117-F146 HydrophobicContact CB-CZ 4.1Å; E117-F146 HydrophobicContact CG-CE1 4.47Å; E117-F146 HydrophobicContact CG-CE2 4.16Å; E117-F146 HydrophobicContact CG-CZ 3.6Å; E117-F146 WeakPolarHBondContact OE1-CZ 3.4Å; H142-F146 AromaticContact CE1-CE2 3.76Å; H142-F146 AromaticContact NE2-CE2 3.76Å; H142-F146 WeakPolarHBondContact O-CD2 3.33Å; H142-F146 VanDerWaalsContact O-CE2 3.3Å; H142-F146 WeakPolarHBondContact O-CE2 3.43Å; F143-F146 PolarHBondContact O-N 3.04Å; S144-F146 PolarHBondContact O-N 3.14Å; F146-T148 PolarHBondContact O-N 2.98Å; F146-K153 HydrophobicContact CB-CD 3.62Å
147D82.8Confident88Confident49 Ų4933.7 Ų33.726%0.26219%0.194SC..  trans-62.7129.5172.5-68.7-4.7000109.9S144 S145 Y151 S152 K153S144-D147 VanDerWaalsContact O-CB 3.24Å; S144-D147 WeakPolarHBondContact O-CB 3.42Å; S144-D147 PolarHBondContact O-N 3.02Å; S144-D147 VanDerWaalsContact O-N 3.09Å; S145-D147 VanDerWaalsContact C-N 3.29Å; D147-Y151 CarbonylContact C-O 3.54Å; D147-Y151 WeakPolarHBondContact CA-O 3.4Å; D147-S152 WeakPolarHBondContact OD1-CA 3.48Å; D147-K153 PolarHBondContact OD1-N 3.41Å
148T76.3Confident88.1Confident58 Ų5832.3 Ų32.336%0.35619%0.188SC..  trans-95.6171.5172.471.80000109.9F146 V150 Y151F146-T148 PolarHBondContact O-N 2.98Å; T148-V150 PolarHBondContact O-N 2.88Å; T148-V150 PolarHBondContact OG1-N 3.42Å; T148-Y151 PolarHBondContact N-O 3.48Å; T148-Y151 PolarHBondContact O-N 3.48Å; T148-Y151 PolarHBondContact OG1-N 3.02Å; T148-Y151 PolarHBondContact OG1-O 3.24Å
149S68.9Low88.2Confident130 Ų13032.6 Ų32.691%0.90919%0.191SC*.SBendtrans-62.4-22.7172.8550000113.1
150V75.2Confident88.1Confident129 Ų12933.9 Ų33.978%0.78220%0.198SC*.SBendtrans-96.8-28.4-176.5-174.90000111.3T148T148-V150 PolarHBondContact O-N 2.88Å; T148-V150 PolarHBondContact OG1-N 3.42Å
151Y78.5Confident87.9Confident42 Ų4236.6 Ų36.617%0.16521%0.21CC..  trans-148.4131.9-170.6170.3-108.6000113D147 T148 K153 P154 R208D147-Y151 CarbonylContact C-O 3.54Å; D147-Y151 WeakPolarHBondContact CA-O 3.4Å; T148-Y151 PolarHBondContact N-O 3.48Å; T148-Y151 PolarHBondContact O-N 3.48Å; T148-Y151 PolarHBondContact OG1-N 3.02Å; T148-Y151 PolarHBondContact OG1-O 3.24Å; Y151-K153 HydrophobicContact CE1-CB 4.41Å; Y151-K153 HydrophobicContact CE1-CG 3.77Å; Y151-P154 WeakPolarHBondContact OH-CD 3.39Å; Y151-R208 VanDerWaalsContact CE2-NH1 3.31Å; Y151-R208 PolarHBondContact OH-NH1 2.91Å
152S84.2Confident87.7Confident71 Ų7137.2 Ų37.250%0.49722%0.22SC..PPolyproline II helixtrans-102132.6168.859.70000110.9D147D147-S152 WeakPolarHBondContact OD1-CA 3.48Å
153K88.5Confident87.4Confident24 Ų2445.5 Ų45.510%0.10426%0.256CS..PPolyproline II helixtrans-67.4129.5174.8-63.7179.478.4-177.10109.7A119 F143 F146 D147 Y151 I155A119-K153 WeakPolarHBondContact O-CE 3.34Å; A119-K153 PolarHBondContact O-NZ 3.5Å; F143-K153 HydrophobicContact CD1-CB 4.05Å; F143-K153 HydrophobicContact CD2-CD 4.37Å; F143-K153 HydrophobicContact CE1-CB 3.32Å; F143-K153 HydrophobicContact CE1-CG 4.5Å; F143-K153 HydrophobicContact CE2-CB 4.2Å; F143-K153 HydrophobicContact CE2-CD 4.06Å; F143-K153 VanDerWaalsContact CE2-NZ 3.34Å; F143-K153 HydrophobicContact CZ-CB 3.42Å; F143-K153 VanDerWaalsContact CZ-CB 3.42Å; F143-K153 HydrophobicContact CZ-CD 4.14Å; F143-K153 HydrophobicContact CZ-CG 4.31Å; F146-K153 HydrophobicContact CB-CD 3.62Å; D147-K153 PolarHBondContact OD1-N 3.41Å; Y151-K153 HydrophobicContact CE1-CB 4.41Å; Y151-K153 HydrophobicContact CE1-CG 3.77Å; K153-I155 PolarHBondContact O-N 2.94Å
154P92.8Very high87.3Confident8 Ų846.3 Ų46.35%0.05226%0.26CS..PPolyproline II helixtrans-73.2131.8-171.227.3-34.9000111.5V121 V122 F143 Y151 F201V121-P154 HydrophobicContact CB-CG 4.33Å; V121-P154 HydrophobicContact CG1-CG 4.16Å; V121-P154 HydrophobicContact CG2-CG 3.9Å; V122-P154 PolarHBondContact N-O 2.94Å; V122-P154 VanDerWaalsContact N-O 3.1Å; F143-P154 WeakPolarHBondContact CE1-O 3.29Å; Y151-P154 WeakPolarHBondContact OH-CD 3.39Å; P154-F201 HydrophobicContact CB-CB 3.97Å; P154-F201 HydrophobicContact CB-CD1 3.65Å; P154-F201 HydrophobicContact CB-CD2 4Å; P154-F201 HydrophobicContact CB-CE1 4.11Å; P154-F201 HydrophobicContact CB-CE2 4.39Å; P154-F201 HydrophobicContact CB-CG 3.61Å; P154-F201 HydrophobicContact CB-CZ 4.45Å; P154-F201 HydrophobicContact CG-CB 3.78Å; P154-F201 HydrophobicContact CG-CD1 4.12Å; P154-F201 HydrophobicContact CG-CG 3.98Å
155I95.9Very high87.1Confident11 Ų1153.2 Ų53.26%0.05629%0.288CS..EExtended strand (participates in β ladder)trans-112.5118.3169.9-62.5159.4000108V122 A124 V140 F143 S144 K153 P157 I174 Q176V122-I155 HydrophobicContact CB-CG1 4.34Å; V122-I155 HydrophobicContact CG1-CG2 4.42Å; V122-I155 CarbonylContact O-C 3.57Å; V122-I155 WeakPolarHBondContact O-CA 3.29Å; A124-I155 HydrophobicContact CB-CG2 3.97Å; V140-I155 HydrophobicContact CG1-CD1 3.74Å; F143-I155 HydrophobicContact CD1-CD1 4.2Å; F143-I155 HydrophobicContact CD1-CG1 3.81Å; F143-I155 HydrophobicContact CE1-CG1 3.85Å; S144-I155 VanDerWaalsContact OG-CD1 3.28Å; S144-I155 WeakPolarHBondContact OG-CD1 3.42Å; K153-I155 PolarHBondContact O-N 2.94Å; I155-P157 VanDerWaalsContact O-CD 3.24Å; I155-P157 WeakPolarHBondContact O-CD 3.32Å; I155-I174 HydrophobicContact CG2-CD1 4.47Å; I155-I174 HydrophobicContact CG2-CG1 4.14Å; I155-Q176 VanDerWaalsContact O-CG 3.32Å; I155-Q176 WeakPolarHBondContact O-CG 3.47Å
156I96.6Very high87.1Confident0 Ų054.3 Ų54.30%029%0.292CS..EExtended strand (participates in β ladder)trans-97.8109.2179-58.5169.6000109V121 V122 I123 A124 I179 L194 Q197 V198 F201V121-I156 HydrophobicContact CG1-CD1 3.82Å; V121-I156 HydrophobicContact CG1-CG1 4.29Å; V122-I156 PolarHBondContact O-N 2.88Å; I123-I156 CarbonylContact C-O 3.58Å; I123-I156 WeakPolarHBondContact CA-O 3.44Å; I123-I156 HydrophobicContact CG1-CB 4.42Å; I123-I156 HydrophobicContact CG1-CD1 4.48Å; I123-I156 HydrophobicContact CG2-CB 4.47Å; A124-I156 PolarHBondContact N-O 2.93Å; I156-I179 HydrophobicContact CG2-CD1 4.1Å; I156-L194 HydrophobicContact CG2-CD1 3.76Å; I156-Q197 HydrophobicContact CD1-CG 4.27Å; I156-Q197 HydrophobicContact CG1-CG 4.37Å; I156-V198 HydrophobicContact CD1-CB 4.17Å; I156-V198 HydrophobicContact CD1-CG2 3.47Å; I156-V198 VanDerWaalsContact CD1-CG2 3.47Å; I156-F201 HydrophobicContact CD1-CD2 3.75Å; I156-F201 HydrophobicContact CD1-CE2 4.46Å; I156-F201 HydrophobicContact CG1-CD2 3.71Å; I156-F201 HydrophobicContact CG1-CE2 4Å
157P96.5Very high87.1Confident0 Ų054.5 Ų54.50%030%0.297CS..EExtended strand (participates in β ladder)trans-78.3129.4176.725.8-30.5000112.7L126 I155 I174 Q176 P178 I179L126-P157 HydrophobicContact CD1-CB 3.67Å; L126-P157 HydrophobicContact CG-CB 4.44Å; I155-P157 VanDerWaalsContact O-CD 3.24Å; I155-P157 WeakPolarHBondContact O-CD 3.32Å; P157-I174 HydrophobicContact CB-CD1 4.37Å; P157-I174 HydrophobicContact CB-CG2 3.58Å; P157-I174 HydrophobicContact CG-CG2 3.38Å; P157-Q176 HydrophobicContact CG-CB 4.04Å; P157-Q176 WeakPolarHBondContact CG-O 3.35Å; P157-P178 HydrophobicContact CB-CB 4.17Å; P157-P178 HydrophobicContact CG-CB 4.27Å; P157-P178 WeakPolarHBondContact O-CA 3.32Å; P157-I179 PolarHBondContact O-N 3Å
158V96.8Very high87.1Confident0 Ų053.6 Ų53.60%030%0.299CS..EExtended strand (participates in β ladder)trans-122.1118.4174.3175.20000109.2I123 A124 F125 L126 L160 I179 F181 L194I123-V158 HydrophobicContact CG2-CB 4.41Å; I123-V158 HydrophobicContact CG2-CG2 3.58Å; A124-V158 PolarHBondContact O-N 3.25Å; F125-V158 CarbonylContact C-O 3.42Å; F125-V158 WeakPolarHBondContact CA-O 3.48Å; F125-V158 HydrophobicContact CD1-CB 3.8Å; F125-V158 HydrophobicContact CD1-CG1 3.71Å; F125-V158 HydrophobicContact CD1-CG2 4.48Å; F125-V158 HydrophobicContact CE1-CB 4.05Å; F125-V158 HydrophobicContact CE1-CG1 3.88Å; F125-V158 HydrophobicContact CE1-CG2 4.27Å; L126-V158 WeakPolarHBondContact CB-O 3.35Å; L126-V158 PolarHBondContact N-O 3.12Å; V158-L160 HydrophobicContact CG1-CD2 4.06Å; V158-L160 PolarHBondContact O-N 2.76Å; V158-I179 CarbonylContact C-O 3.6Å; V158-I179 WeakPolarHBondContact CA-O 3.43Å; V158-F181 HydrophobicContact CG1-CD2 3.49Å; V158-F181 VanDerWaalsContact CG1-CD2 3.49Å; V158-F181 HydrophobicContact CG1-CE2 3.94Å; V158-F181 HydrophobicContact CG1-CG 4.21Å; V158-L194 HydrophobicContact CG2-CD1 3.66Å; V158-L194 HydrophobicContact CG2-CD2 4.16Å
159I95.1Very high87.5Confident19 Ų1951.8 Ų51.810%0.09729%0.285CS..EExtended strand (participates in β ladder)trans-84.8114.1177.7-66.4172.8000109.5L126 Q161 F164 P178 I179 F181L126-I159 HydrophobicContact CB-CG1 4.49Å; L126-I159 HydrophobicContact CD1-CG1 4.2Å; I159-Q161 WeakPolarHBondContact CG2-O 3.42Å; I159-F164 HydrophobicContact CG1-CD1 4.37Å; I159-F164 HydrophobicContact CG2-CB 3.97Å; I159-P178 HydrophobicContact CD1-CB 3.52Å; I159-P178 HydrophobicContact CD1-CG 3.78Å; I159-P178 HydrophobicContact CG1-CB 3.75Å; I159-I179 PolarHBondContact N-O 3.35Å; I159-F181 WeakPolarHBondContact O-CA 3.49Å; I159-F181 WeakPolarHBondContact O-CB 3.35Å; I159-F181 PolarHBondContact O-N 3.17Å
160L93.1Very high88.4Confident30 Ų3045.6 Ų45.616%0.15724%0.242CC..  trans-95.7-28.6174.5-65.5-175.8000112.9N61 A64 V65 F125 L126 V158 F181N61-L160 HydrophobicContact CB-CD1 3.82Å; A64-L160 HydrophobicContact CB-CD1 4.05Å; A64-L160 HydrophobicContact CB-CD2 4.29Å; V65-L160 HydrophobicContact CG2-CD1 3.83Å; F125-L160 HydrophobicContact CB-CD1 3.7Å; F125-L160 HydrophobicContact CB-CG 4.19Å; F125-L160 HydrophobicContact CD1-CD1 3.86Å; F125-L160 HydrophobicContact CD1-CD2 4.06Å; F125-L160 HydrophobicContact CD1-CG 4Å; F125-L160 HydrophobicContact CG-CD1 4.17Å; L126-L160 PolarHBondContact O-N 3.11Å; V158-L160 HydrophobicContact CG1-CD2 4.06Å; V158-L160 PolarHBondContact O-N 2.76Å; L160-F181 HydrophobicContact CD2-CB 4.02Å
161Q90.7Very high88.8Confident57 Ų5743.8 Ų43.827%0.26623%0.228SC..SBendtrans-94.5136.7-174.1-178.1-177-36.800112.7L126 D128 I159 K163 F164L126-Q161 PolarHBondContact O-N 3.49Å; D128-Q161 PolarHBondContact OD2-NE2 3.37Å; I159-Q161 WeakPolarHBondContact CG2-O 3.42Å; Q161-K163 PolarHBondContact O-N 2.74Å; Q161-F164 HydrophobicContact CB-CB 4.17Å; Q161-F164 VanDerWaalsContact O-CB 3.29Å; Q161-F164 WeakPolarHBondContact O-CB 3.05Å; Q161-F164 PolarHBondContact O-N 3.32Å
162P86.5Confident89Confident79 Ų7948.3 Ų48.351%0.51325%0.245SC..THydrogen-bonded Turntrans-57.1132.5173.3-23.830.6000116.6F164 N182P162-F164 PolarHBondContact O-N 3.23Å; P162-F164 VanDerWaalsContact O-N 3.11Å; P162-N182 WeakPolarHBondContact CA-ND2 3.32Å; P162-N182 WeakPolarHBondContact CA-OD1 3.22Å; P162-N182 WeakPolarHBondContact CB-OD1 3.5Å; P162-N182 WeakPolarHBondContact CG-OD1 3.29Å
163K84.8Confident88.9Confident178 Ų17847.4 Ų47.477%0.77423%0.234SC*.THydrogen-bonded Turntrans60.416.6177.3-52172.2-179.4173.20113.3Q161 N182Q161-K163 PolarHBondContact O-N 2.74Å; K163-N182 PolarHBondContact N-ND2 2.96Å
164F90.2Very high88.6Confident18 Ų1846.8 Ų46.88%0.07923%0.232CC..  trans-59.3138.8175.8-176.6-96.8000110.5L126 S127 R131 I159 Q161 P162 L166 L170L126-F164 HydrophobicContact CB-CD1 4.02Å; L126-F164 HydrophobicContact CB-CE1 3.69Å; L126-F164 HydrophobicContact CB-CZ 4.25Å; L126-F164 HydrophobicContact CD1-CE1 4.24Å; S127-F164 VanDerWaalsContact O-CE2 3.29Å; S127-F164 WeakPolarHBondContact O-CE2 3.36Å; R131-F164 HydrophobicContact CB-CE2 4.31Å; R131-F164 HydrophobicContact CB-CZ 4.25Å; I159-F164 HydrophobicContact CG1-CD1 4.37Å; I159-F164 HydrophobicContact CG2-CB 3.97Å; Q161-F164 HydrophobicContact CB-CB 4.17Å; Q161-F164 VanDerWaalsContact O-CB 3.29Å; Q161-F164 WeakPolarHBondContact O-CB 3.05Å; Q161-F164 PolarHBondContact O-N 3.32Å; P162-F164 PolarHBondContact O-N 3.23Å; P162-F164 VanDerWaalsContact O-N 3.11Å; F164-L166 HydrophobicContact CE1-CD2 4.39Å; F164-L170 HydrophobicContact CE1-CD1 4.11Å; F164-L170 HydrophobicContact CZ-CD1 3.65Å
165K86Confident87.9Confident159 Ų15951.4 Ų51.469%0.69127%0.265SS*.  trans-119.6126.8177.7-65.6-175.3179.6-178.20109.1T167K165-T167 HydrophobicContact CB-CG2 4.1Å; K165-T167 PolarHBondContact O-N 3.44Å; K165-T167 VanDerWaalsContact O-N 3.11Å; K165-T167 PolarHBondContact O-OG1 2.8Å
166L86.2Confident87.3Confident38 Ų3854 Ų5420%0.19928%0.276CS..  trans-59.7114.8167.4-70165.4000108.1L126 F164 L170 N171 I174 P178L126-L166 HydrophobicContact CD1-CD2 3.38Å; L126-L166 HydrophobicContact CD1-CG 4.31Å; F164-L166 HydrophobicContact CE1-CD2 4.39Å; L166-L170 HydrophobicContact CD2-CB 4.16Å; L166-N171 VanDerWaalsContact C-CG 3.49Å; L166-N171 WeakPolarHBondContact CB-OD1 3.31Å; L166-N171 VanDerWaalsContact O-CG 3.27Å; L166-N171 PolarHBondContact O-ND2 3.22Å; L166-N171 PolarHBondContact O-OD1 3.38Å; L166-I174 HydrophobicContact CD2-CD1 4.47Å; L166-P178 HydrophobicContact CD1-CB 4.27Å; L166-P178 HydrophobicContact CD1-CG 3.79Å
167T84.5Confident87Confident45 Ų4561.7 Ų61.728%0.27631%0.312SS..  trans-147.2164-174.548.10000110.1R131 K165 W169 L170 N171R131-T167 PolarHBondContact NH1-OG1 3.45Å; K165-T167 HydrophobicContact CB-CG2 4.1Å; K165-T167 PolarHBondContact O-N 3.44Å; K165-T167 VanDerWaalsContact O-N 3.11Å; K165-T167 PolarHBondContact O-OG1 2.8Å; T167-W169 PolarHBondContact O-N 2.96Å; T167-L170 PolarHBondContact O-N 3.09Å; T167-N171 WeakPolarHBondContact CA-ND2 3.46Å
168G81.1Confident86.8Confident29 Ų2963.9 Ų63.930%0.29933%0.326SS..THydrogen-bonded Turntrans61-132.4175.700000112.9L170 N171G168-L170 VanDerWaalsContact C-N 3.28Å; G168-L170 PolarHBondContact O-N 3.4Å; G168-N171 PolarHBondContact O-N 2.69Å
169W86.1Confident86.7Confident20 Ų2064.7 Ų64.78%0.07633%0.331CS..THydrogen-bonded Turntrans-65.4-28.6-177.367.8-94.4000113.5F130 R131 R137 V140 T167 N171 R172 L173F130-W169 HydrophobicContact CD1-CH2 4.46Å; F130-W169 AromaticContact CE1-CH2 3.78Å; F130-W169 HydrophobicContact CE1-CH2 3.78Å; F130-W169 HydrophobicContact CE1-CZ2 4.27Å; F130-W169 HydrophobicContact CZ-CH2 4.46Å; R131-W169 PolarHBondContact O-NE1 3.37Å; R137-W169 VanDerWaalsContact CA-CH2 3.44Å; R137-W169 HydrophobicContact CB-CD2 4.33Å; R137-W169 HydrophobicContact CB-CH2 3.9Å; R137-W169 HydrophobicContact CB-CZ2 3.67Å; R137-W169 HydrophobicContact CB-CZ3 4.31Å; R137-W169 HydrophobicContact CG-CD2 3.89Å; R137-W169 HydrophobicContact CG-CE3 4.03Å; R137-W169 HydrophobicContact CG-CG 4.39Å; R137-W169 HydrophobicContact CG-CH2 4.28Å; R137-W169 HydrophobicContact CG-CZ2 4.16Å; R137-W169 HydrophobicContact CG-CZ3 4.21Å; V140-W169 HydrophobicContact CB-CH2 4.44Å; V140-W169 HydrophobicContact CB-CZ3 4.01Å; V140-W169 HydrophobicContact CG1-CZ3 4.08Å; V140-W169 HydrophobicContact CG2-CH2 4.39Å; V140-W169 HydrophobicContact CG2-CZ3 4.36Å; T167-W169 PolarHBondContact O-N 2.96Å; W169-N171 PolarHBondContact O-N 3.23Å; W169-R172 PolarHBondContact O-N 2.94Å; W169-R172 VanDerWaalsContact O-N 3.13Å; W169-L173 HydrophobicContact CE3-CD1 3.72Å; W169-L173 HydrophobicContact CZ3-CD1 4Å; W169-L173 PolarHBondContact O-N 3.29Å
170L86.4Confident86.5Confident0 Ų065.6 Ų65.60%034%0.335CS..Hα-helixtrans-62.4-42.8179.5-67.9172.2000112.1L126 F130 R131 F164 L166 T167 G168 R172 L173 I174L126-L170 HydrophobicContact CD2-CD1 4.44Å; L126-L170 HydrophobicContact CD2-CD2 4.11Å; F130-L170 HydrophobicContact CD1-CD2 4.13Å; F130-L170 HydrophobicContact CE1-CD2 3.72Å; R131-L170 HydrophobicContact CB-CD1 3.88Å; R131-L170 HydrophobicContact CG-CD1 3.76Å; R131-L170 HydrophobicContact CG-CG 4.39Å; F164-L170 HydrophobicContact CE1-CD1 4.11Å; F164-L170 HydrophobicContact CZ-CD1 3.65Å; L166-L170 HydrophobicContact CD2-CB 4.16Å; T167-L170 PolarHBondContact O-N 3.09Å; G168-L170 VanDerWaalsContact C-N 3.28Å; G168-L170 PolarHBondContact O-N 3.4Å; L170-R172 PolarHBondContact O-N 2.57Å; L170-R172 VanDerWaalsContact O-N 3.12Å; L170-L173 PolarHBondContact O-N 3.1Å; L170-I174 HydrophobicContact CB-CD1 4.48Å; L170-I174 HydrophobicContact CD2-CD1 3.82Å; L170-I174 WeakPolarHBondContact O-CB 3.47Å; L170-I174 PolarHBondContact O-N 3.32Å
171N83.7Confident86.4Confident92 Ų9265.9 Ų65.949%0.49234%0.335SS..Hα-helixtrans-61.4-21.4177.8-83.4-12000113.5L166 T167 G168 W169L166-N171 VanDerWaalsContact C-CG 3.49Å; L166-N171 WeakPolarHBondContact CB-OD1 3.31Å; L166-N171 VanDerWaalsContact O-CG 3.27Å; L166-N171 PolarHBondContact O-ND2 3.22Å; L166-N171 PolarHBondContact O-OD1 3.38Å; T167-N171 WeakPolarHBondContact CA-ND2 3.46Å; G168-N171 PolarHBondContact O-N 2.69Å; W169-N171 PolarHBondContact O-N 3.23Å
172R83.5Confident85.9Confident137 Ų13764.7 Ų64.752%0.51733%0.331SS..Hα-helixtrans-88.1-29.7-178.5-63.2-173-66.6-169.2-4.8112.8W169 L170W169-R172 PolarHBondContact O-N 2.94Å; W169-R172 VanDerWaalsContact O-N 3.13Å; L170-R172 PolarHBondContact O-N 2.57Å; L170-R172 VanDerWaalsContact O-N 3.12Å
173L81.3Confident85.3Confident51 Ų5163.9 Ų63.927%0.26734%0.337SS..Hα-helixtrans-102.2-27.8-174.5-61.7179000112.7V140 E141 W169 L170V140-L173 HydrophobicContact CG1-CB 4.13Å; V140-L173 HydrophobicContact CG1-CD1 3.84Å; E141-L173 HydrophobicContact CB-CD1 4.46Å; E141-L173 HydrophobicContact CG-CD1 3.44Å; E141-L173 VanDerWaalsContact CG-CD1 3.44Å; W169-L173 HydrophobicContact CE3-CD1 3.72Å; W169-L173 HydrophobicContact CZ3-CD1 4Å; W169-L173 PolarHBondContact O-N 3.29Å; L170-L173 PolarHBondContact O-N 3.1Å
174I83.2Confident84.9Confident11 Ų1163 Ų636%0.05633%0.333CS..  trans-102.6102.7-177.2-58.5-178.4000108.4A124 L126 I155 P157 L166 L170A124-I174 HydrophobicContact CB-CD1 4.32Å; L126-I174 HydrophobicContact CD1-CD1 4.44Å; L126-I174 HydrophobicContact CD2-CD1 3.9Å; I155-I174 HydrophobicContact CG2-CD1 4.47Å; I155-I174 HydrophobicContact CG2-CG1 4.14Å; P157-I174 HydrophobicContact CB-CD1 4.37Å; P157-I174 HydrophobicContact CB-CG2 3.58Å; P157-I174 HydrophobicContact CG-CG2 3.38Å; L166-I174 HydrophobicContact CD2-CD1 4.47Å; L170-I174 HydrophobicContact CB-CD1 4.48Å; L170-I174 HydrophobicContact CD2-CD1 3.82Å; L170-I174 WeakPolarHBondContact O-CB 3.47Å; L170-I174 PolarHBondContact O-N 3.32Å
175S77.3Confident84.3Confident106 Ų10670.5 Ų70.574%0.74136%0.361SS*.  trans-88.9-21.1175.655.20000113.3
176Q84.2Confident84.4Confident64 Ų6467.5 Ų67.530%0.29935%0.353SS..SBendtrans-74.9150-176.4-61-59.1-3000111.9I155 P157 F201I155-Q176 VanDerWaalsContact O-CG 3.32Å; I155-Q176 WeakPolarHBondContact O-CG 3.47Å; P157-Q176 HydrophobicContact CG-CB 4.04Å; P157-Q176 WeakPolarHBondContact CG-O 3.35Å; Q176-F201 HydrophobicContact CG-CZ 4.43Å
177H89.5Confident84.5Confident163 Ų16368.9 Ų68.976%0.75536%0.364SS*.PPolyproline II helixtrans-69.6131.9174.3-76.5-58.3000111.1
178P92.7Very high84.9Confident46 Ų4670.4 Ų70.430%0.29937%0.368SS..PPolyproline II helixtrans-68.6136.5-18027.6-34.2000112.9P157 I159 L166P157-P178 HydrophobicContact CB-CB 4.17Å; P157-P178 HydrophobicContact CG-CB 4.27Å; P157-P178 WeakPolarHBondContact O-CA 3.32Å; I159-P178 HydrophobicContact CD1-CB 3.52Å; I159-P178 HydrophobicContact CD1-CG 3.78Å; I159-P178 HydrophobicContact CG1-CB 3.75Å; L166-P178 HydrophobicContact CD1-CB 4.27Å; L166-P178 HydrophobicContact CD1-CG 3.79Å
179I94.5Very high85.5Confident17 Ų1773 Ų739%0.08738%0.378CS..EExtended strand (participates in β ladder)trans-85.6126.3168.3-60.3165.8000108.4I156 P157 V158 I159 F181 A193 L194I156-I179 HydrophobicContact CG2-CD1 4.1Å; P157-I179 PolarHBondContact O-N 3Å; V158-I179 CarbonylContact C-O 3.6Å; V158-I179 WeakPolarHBondContact CA-O 3.43Å; I159-I179 PolarHBondContact N-O 3.35Å; I179-F181 HydrophobicContact CG2-CD2 4.03Å; I179-F181 HydrophobicContact CG2-CE2 3.68Å; I179-A193 HydrophobicContact CG2-CB 4.49Å; I179-L194 VanDerWaalsContact CD1-CA 3.49Å; I179-L194 HydrophobicContact CD1-CB 3.88Å; I179-L194 HydrophobicContact CD1-CD1 3.71Å; I179-L194 HydrophobicContact CD1-CG 4.43Å
180D91.5Very high86Confident37 Ų3772.3 Ų72.320%0.19838%0.376CS..EExtended strand (participates in β ladder)trans-93.6116.9-171.8-166.56.9000112.1N182 S190D180-N182 WeakPolarHBondContact OD1-CB 3.23Å; D180-N182 PolarHBondContact OD1-N 3.43Å; D180-S190 WeakPolarHBondContact O-CB 3.28Å; D180-S190 PolarHBondContact O-OG 3.42Å
181F91.4Very high86.4Confident36 Ų3673.8 Ų73.816%0.15838%0.382CS..  trans-108.312.2172.9-83.6-102.2000112.8V68 V158 I159 L160 I179 G183 Y191 L194V68-F181 HydrophobicContact CG2-CE1 4.21Å; V158-F181 HydrophobicContact CG1-CD2 3.49Å; V158-F181 VanDerWaalsContact CG1-CD2 3.49Å; V158-F181 HydrophobicContact CG1-CE2 3.94Å; V158-F181 HydrophobicContact CG1-CG 4.21Å; I159-F181 WeakPolarHBondContact O-CA 3.49Å; I159-F181 WeakPolarHBondContact O-CB 3.35Å; I159-F181 PolarHBondContact O-N 3.17Å; L160-F181 HydrophobicContact CD2-CB 4.02Å; I179-F181 HydrophobicContact CG2-CD2 4.03Å; I179-F181 HydrophobicContact CG2-CE2 3.68Å; F181-G183 PolarHBondContact O-N 2.85Å; F181-Y191 AromaticContact CE1-CD1 3.7Å; F181-Y191 HydrophobicContact CE1-CD1 3.7Å; F181-Y191 HydrophobicContact CE1-CD2 4.24Å; F181-Y191 AromaticContact CE1-CE1 3.54Å; F181-Y191 HydrophobicContact CE1-CE1 3.54Å; F181-Y191 HydrophobicContact CE1-CE2 4.11Å; F181-Y191 HydrophobicContact CE1-CG 4.04Å; F181-Y191 AromaticContact CE1-CZ 3.76Å; F181-Y191 AromaticContact CZ-CD1 3.79Å; F181-Y191 HydrophobicContact CZ-CD1 3.79Å; F181-Y191 HydrophobicContact CZ-CE1 4.04Å; F181-Y191 HydrophobicContact CZ-CG 4.18Å; F181-L194 HydrophobicContact CE2-CB 4.44Å; F181-L194 HydrophobicContact CE2-CD2 4.16Å; F181-L194 HydrophobicContact CZ-CD2 4.16Å
182N79.8Confident87Confident32 Ų3273.8 Ų73.817%0.17138%0.382CS..SBendtrans-66.74.5178.3-178.612.6000114.4P162 K163 D180 K184P162-N182 WeakPolarHBondContact CA-ND2 3.32Å; P162-N182 WeakPolarHBondContact CA-OD1 3.22Å; P162-N182 WeakPolarHBondContact CB-OD1 3.5Å; P162-N182 WeakPolarHBondContact CG-OD1 3.29Å; K163-N182 PolarHBondContact N-ND2 2.96Å; D180-N182 WeakPolarHBondContact OD1-CB 3.23Å; D180-N182 PolarHBondContact OD1-N 3.43Å; N182-K184 PolarHBondContact O-N 2.76Å
183G73.2Confident87.6Confident63 Ų6369.4 Ų69.465%0.64938%0.375SS*.SBendtrans737.617700000115.7F181F181-G183 PolarHBondContact O-N 2.85Å
184K76.4Confident88.4Confident159 Ų15967 Ų6769%0.69136%0.363SS*.SBendtrans-69.5-24.8168.8-72.7-174.8176.6-178.80112.9N182N182-K184 PolarHBondContact O-N 2.76Å
185R78.6Confident89.1Confident175 Ų17567.5 Ų67.566%0.6637%0.365SS*.SBendtrans-117.5161.6179.2-64.6-178.2179.8177.60.4108.6
186D87Confident90.1Very high96 Ų9666 Ų6651%0.51335%0.354SS..  trans-54.3122.1168.7-176.6-8.5000109.4E188 V189D186-E188 PolarHBondContact O-N 3.37Å; D186-E188 PolarHBondContact OD1-N 3.33Å; D186-V189 HydrophobicContact CB-CG2 4.11Å; D186-V189 PolarHBondContact O-N 2.87Å
187P88.7Confident90.8Very high67 Ų6764.6 Ų64.644%0.43535%0.348SS..Hα-helixtrans-59.3-29.2-179.524.7-36000113.1V189 S190 Y191P187-V189 VanDerWaalsContact C-N 3.34Å; P187-V189 PolarHBondContact O-N 2.85Å; P187-S190 WeakPolarHBondContact O-CB 3.4Å; P187-S190 PolarHBondContact O-N 3.46Å; P187-S190 VanDerWaalsContact O-N 3.14Å; P187-Y191 HydrophobicContact CB-CD2 4.46Å; P187-Y191 HydrophobicContact CB-CE2 4.23Å; P187-Y191 WeakPolarHBondContact O-CD2 3.33Å; P187-Y191 PolarHBondContact O-N 3.05Å
188E93.7Very high91.2Very high77 Ų7756.8 Ų56.836%0.3631%0.312SS..Hα-helixtrans-64.4-40-179.5-65.9-57.4127.500111.7R71 D186 S190 Y191 D192R71-E188 IonicContact CZ-OE1 3.93Å; R71-E188 IonicContact CZ-OE2 3.3Å; R71-E188 VanDerWaalsContact CZ-OE2 3.3Å; R71-E188 IonicContact NH1-OE1 2.93Å; R71-E188 PolarHBondContact NH1-OE1 3.21Å; R71-E188 IonicContact NH1-OE2 2.96Å; R71-E188 PolarHBondContact NH1-OE2 3.38Å; R71-E188 IonicContact NH2-OE2 2.71Å; R71-E188 PolarHBondContact NH2-OE2 3.22Å; D186-E188 PolarHBondContact O-N 3.37Å; D186-E188 PolarHBondContact OD1-N 3.33Å; E188-S190 VanDerWaalsContact C-N 3.26Å; E188-S190 PolarHBondContact O-N 3.49Å; E188-Y191 PolarHBondContact O-N 3.44Å; E188-Y191 VanDerWaalsContact O-N 3.17Å; E188-D192 PolarHBondContact O-N 3.35Å
189V93.6Very high91.4Very high84 Ų8459.9 Ų59.951%0.50932%0.32SS..Hα-helixtrans-61.2-38.4174.31790000111.1D186 P187 A193D186-V189 HydrophobicContact CB-CG2 4.11Å; D186-V189 PolarHBondContact O-N 2.87Å; P187-V189 VanDerWaalsContact C-N 3.34Å; P187-V189 PolarHBondContact O-N 2.85Å; V189-A193 WeakPolarHBondContact O-CB 3.32Å; V189-A193 PolarHBondContact O-N 3.49Å
190S95.2Very high91.5Very high6 Ų664.6 Ų64.64%0.04234%0.342CS..Hα-helixtrans-71-36.6177.1-630000112.3D180 P187 E188 L194D180-S190 WeakPolarHBondContact O-CB 3.28Å; D180-S190 PolarHBondContact O-OG 3.42Å; P187-S190 WeakPolarHBondContact O-CB 3.4Å; P187-S190 PolarHBondContact O-N 3.46Å; P187-S190 VanDerWaalsContact O-N 3.14Å; E188-S190 VanDerWaalsContact C-N 3.26Å; E188-S190 PolarHBondContact O-N 3.49Å; S190-L194 WeakPolarHBondContact O-CB 3.4Å; S190-L194 PolarHBondContact O-N 3.48Å
191Y96.2Very high91.7Very high31 Ų3164 Ų6412%0.12234%0.338CS..Hα-helixtrans-62.9-47171.6-77.1-62.2000111.7V68 R71 F181 P187 E188 A193 L194 I195V68-Y191 HydrophobicContact CB-CE1 4.39Å; V68-Y191 HydrophobicContact CG2-CE1 3.92Å; R71-Y191 HydrophobicContact CB-CD1 3.96Å; R71-Y191 HydrophobicContact CB-CE1 4.09Å; R71-Y191 HydrophobicContact CG-CD1 3.92Å; R71-Y191 HydrophobicContact CG-CE1 3.75Å; R71-Y191 HydrophobicContact CG-CG 4.44Å; F181-Y191 AromaticContact CE1-CD1 3.7Å; F181-Y191 HydrophobicContact CE1-CD1 3.7Å; F181-Y191 HydrophobicContact CE1-CD2 4.24Å; F181-Y191 AromaticContact CE1-CE1 3.54Å; F181-Y191 HydrophobicContact CE1-CE1 3.54Å; F181-Y191 HydrophobicContact CE1-CE2 4.11Å; F181-Y191 HydrophobicContact CE1-CG 4.04Å; F181-Y191 AromaticContact CE1-CZ 3.76Å; F181-Y191 AromaticContact CZ-CD1 3.79Å; F181-Y191 HydrophobicContact CZ-CD1 3.79Å; F181-Y191 HydrophobicContact CZ-CE1 4.04Å; F181-Y191 HydrophobicContact CZ-CG 4.18Å; P187-Y191 HydrophobicContact CB-CD2 4.46Å; P187-Y191 HydrophobicContact CB-CE2 4.23Å; P187-Y191 WeakPolarHBondContact O-CD2 3.33Å; P187-Y191 PolarHBondContact O-N 3.05Å; E188-Y191 PolarHBondContact O-N 3.44Å; E188-Y191 VanDerWaalsContact O-N 3.17Å; Y191-A193 PolarHBondContact O-N 3.2Å; Y191-L194 PolarHBondContact O-N 2.93Å; Y191-I195 WeakPolarHBondContact O-CB 3.29Å; Y191-I195 VanDerWaalsContact O-CG1 3.29Å; Y191-I195 WeakPolarHBondContact O-CG1 3.35Å; Y191-I195 PolarHBondContact O-N 3.2Å
192D96.1Very high91.9Very high92 Ų9264.3 Ų64.349%0.49234%0.338SS..Hα-helixtrans-64.1-42.1-179.7-72.1-22.6000111.8E188 S196E188-D192 PolarHBondContact O-N 3.35Å; D192-S196 VanDerWaalsContact O-CB 3.26Å; D192-S196 WeakPolarHBondContact O-CB 3.38Å; D192-S196 PolarHBondContact O-N 3Å; D192-S196 PolarHBondContact O-OG 3.15Å
193A96.3Very high92.6Very high45 Ų4564.1 Ų64.137%0.37234%0.343SS..Hα-helixtrans-60.3-45.3174.200000111.4I179 V189 Y191 Q197I179-A193 HydrophobicContact CG2-CB 4.49Å; V189-A193 WeakPolarHBondContact O-CB 3.32Å; V189-A193 PolarHBondContact O-N 3.49Å; Y191-A193 PolarHBondContact O-N 3.2Å; A193-Q197 WeakPolarHBondContact O-CB 3.37Å; A193-Q197 PolarHBondContact O-N 3.48Å
194L97.7Very high93.6Very high1 Ų165.1 Ų65.11%0.00533%0.331CS..Hα-helixtrans-64-50178.1-178.261.5000112.1V68 L72 I123 I156 V158 I179 F181 S190 Y191 S196 Q197 V198V68-L194 HydrophobicContact CG1-CD2 3.41Å; V68-L194 VanDerWaalsContact CG1-CD2 3.41Å; L72-L194 HydrophobicContact CD2-CG 4.38Å; I123-L194 HydrophobicContact CD1-CD1 4.28Å; I123-L194 HydrophobicContact CG2-CD1 4.29Å; I156-L194 HydrophobicContact CG2-CD1 3.76Å; V158-L194 HydrophobicContact CG2-CD1 3.66Å; V158-L194 HydrophobicContact CG2-CD2 4.16Å; I179-L194 VanDerWaalsContact CD1-CA 3.49Å; I179-L194 HydrophobicContact CD1-CB 3.88Å; I179-L194 HydrophobicContact CD1-CD1 3.71Å; I179-L194 HydrophobicContact CD1-CG 4.43Å; F181-L194 HydrophobicContact CE2-CB 4.44Å; F181-L194 HydrophobicContact CE2-CD2 4.16Å; F181-L194 HydrophobicContact CZ-CD2 4.16Å; S190-L194 WeakPolarHBondContact O-CB 3.4Å; S190-L194 PolarHBondContact O-N 3.48Å; Y191-L194 PolarHBondContact O-N 2.93Å; L194-S196 VanDerWaalsContact C-N 3.28Å; L194-S196 PolarHBondContact O-N 3.45Å; L194-Q197 PolarHBondContact O-N 3.19Å; L194-V198 HydrophobicContact CD1-CG2 3.96Å; L194-V198 HydrophobicContact CG-CG2 4.28Å; L194-V198 WeakPolarHBondContact O-CB 3.42Å; L194-V198 WeakPolarHBondContact O-CG2 3.47Å; L194-V198 PolarHBondContact O-N 2.98Å
195I98.2Very high94.4Very high21 Ų2157.9 Ų57.911%0.10830%0.301CS..Hα-helixtrans-60.3-42.5-179.9-70.8163000110.4L72 A75 I77 Y191 K199L72-I195 HydrophobicContact CD2-CG1 4Å; A75-I195 HydrophobicContact CB-CD1 4.12Å; A75-I195 HydrophobicContact CB-CG1 4.2Å; A75-I195 HydrophobicContact CB-CG2 3.74Å; I77-I195 HydrophobicContact CD1-CG2 4.38Å; Y191-I195 WeakPolarHBondContact O-CB 3.29Å; Y191-I195 VanDerWaalsContact O-CG1 3.29Å; Y191-I195 WeakPolarHBondContact O-CG1 3.35Å; Y191-I195 PolarHBondContact O-N 3.2Å; I195-K199 HydrophobicContact CG2-CD 4.07Å; I195-K199 WeakPolarHBondContact O-CB 3.44Å; I195-K199 VanDerWaalsContact O-CG 3.32Å; I195-K199 WeakPolarHBondContact O-CG 3.19Å; I195-K199 PolarHBondContact O-N 2.7Å
196S98Very high95.1Very high74 Ų7454.6 Ų54.652%0.51729%0.292SS..Hα-helixtrans-62.5-49.3178.5-59.50000111.4D192 L194 V198 K199 E200D192-S196 VanDerWaalsContact O-CB 3.26Å; D192-S196 WeakPolarHBondContact O-CB 3.38Å; D192-S196 PolarHBondContact O-N 3Å; D192-S196 PolarHBondContact O-OG 3.15Å; L194-S196 VanDerWaalsContact C-N 3.28Å; L194-S196 PolarHBondContact O-N 3.45Å; S196-V198 PolarHBondContact O-N 2.87Å; S196-K199 PolarHBondContact O-N 2.69Å; S196-E200 PolarHBondContact O-N 2.86Å
197Q97.6Very high95.5Very high34 Ų3457.2 Ų57.216%0.15930%0.299CS..Hα-helixtrans-66.1-38.5-179.5-170171.642.100112.3I156 A193 L194 E200 F201I156-Q197 HydrophobicContact CD1-CG 4.27Å; I156-Q197 HydrophobicContact CG1-CG 4.37Å; A193-Q197 WeakPolarHBondContact O-CB 3.37Å; A193-Q197 PolarHBondContact O-N 3.48Å; L194-Q197 PolarHBondContact O-N 3.19Å; Q197-E200 PolarHBondContact O-N 3.09Å; Q197-F201 HydrophobicContact CG-CD2 3.67Å; Q197-F201 HydrophobicContact CG-CE2 3.42Å; Q197-F201 VanDerWaalsContact CG-CE2 3.42Å; Q197-F201 HydrophobicContact CG-CZ 4.47Å; Q197-F201 VanDerWaalsContact O-CD2 3.27Å; Q197-F201 WeakPolarHBondContact O-CD2 3.1Å; Q197-F201 PolarHBondContact O-N 3.49Å; Q197-F201 VanDerWaalsContact O-N 3.07Å
198V98Very high95.5Very high0 Ų056.7 Ų56.70%029%0.288CS..Hα-helixtrans-64.7-43.7174.7176.70000110.7V53 L72 I77 I123 I156 L194 S196 E200 Y202V53-V198 HydrophobicContact CG1-CG1 4.49Å; V53-V198 HydrophobicContact CG2-CG1 3.96Å; L72-V198 HydrophobicContact CD2-CG2 4.26Å; I77-V198 HydrophobicContact CD1-CB 4.06Å; I77-V198 HydrophobicContact CD1-CG1 3.75Å; I77-V198 HydrophobicContact CG1-CG1 4.34Å; I77-V198 HydrophobicContact CG2-CG1 3.76Å; I123-V198 HydrophobicContact CD1-CG2 3.49Å; I123-V198 VanDerWaalsContact CD1-CG2 3.49Å; I123-V198 HydrophobicContact CG1-CG2 4.25Å; I156-V198 HydrophobicContact CD1-CB 4.17Å; I156-V198 HydrophobicContact CD1-CG2 3.47Å; I156-V198 VanDerWaalsContact CD1-CG2 3.47Å; L194-V198 HydrophobicContact CD1-CG2 3.96Å; L194-V198 HydrophobicContact CG-CG2 4.28Å; L194-V198 WeakPolarHBondContact O-CB 3.42Å; L194-V198 WeakPolarHBondContact O-CG2 3.47Å; L194-V198 PolarHBondContact O-N 2.98Å; S196-V198 PolarHBondContact O-N 2.87Å; V198-E200 VanDerWaalsContact C-N 3.34Å; V198-E200 PolarHBondContact O-N 3.27Å; V198-Y202 WeakPolarHBondContact O-CB 3.4Å; V198-Y202 PolarHBondContact O-N 3.2Å
199K97.8Very high95.4Very high110 Ų11053.3 Ų53.348%0.47827%0.273SS..Hα-helixtrans-63.3-39.8178.2-79.1179.6175.4-179.50112.5A75 I77 I195 S196 G203A75-K199 VanDerWaalsContact O-CE 3.3Å; A75-K199 WeakPolarHBondContact O-CE 3.4Å; A75-K199 PolarHBondContact O-NZ 3.14Å; I77-K199 HydrophobicContact CD1-CG 4.36Å; I77-K199 HydrophobicContact CG1-CG 4.39Å; I195-K199 HydrophobicContact CG2-CD 4.07Å; I195-K199 WeakPolarHBondContact O-CB 3.44Å; I195-K199 VanDerWaalsContact O-CG 3.32Å; I195-K199 WeakPolarHBondContact O-CG 3.19Å; I195-K199 PolarHBondContact O-N 2.7Å; S196-K199 PolarHBondContact O-N 2.69Å; K199-G203 PolarHBondContact O-N 3.48Å
200E96.4Very high95.4Very high116 Ų11654.1 Ų54.154%0.54227%0.271SS..Hα-helixtrans-59.7-60.5174.8-179.3-180-174.800110.6S196 Q197 V198 Y202 G203 E204S196-E200 PolarHBondContact O-N 2.86Å; Q197-E200 PolarHBondContact O-N 3.09Å; V198-E200 VanDerWaalsContact C-N 3.34Å; V198-E200 PolarHBondContact O-N 3.27Å; E200-Y202 VanDerWaalsContact C-N 3.35Å; E200-Y202 PolarHBondContact O-N 2.95Å; E200-G203 PolarHBondContact O-N 3.3Å; E200-G203 VanDerWaalsContact O-N 3.14Å; E200-E204 WeakPolarHBondContact O-CG 3.32Å; E200-E204 PolarHBondContact O-N 3.15Å
201F95.6Very high95.2Very high24 Ų2456.3 Ų56.311%0.10529%0.29CS..Hα-helixtrans-63.7-38.1-177.4-75.6-46.5000113.4V121 P154 I156 Q176 Q197 E204 A205V121-F201 HydrophobicContact CG1-CB 4.49Å; V121-F201 HydrophobicContact CG2-CB 4.25Å; P154-F201 HydrophobicContact CB-CB 3.97Å; P154-F201 HydrophobicContact CB-CD1 3.65Å; P154-F201 HydrophobicContact CB-CD2 4Å; P154-F201 HydrophobicContact CB-CE1 4.11Å; P154-F201 HydrophobicContact CB-CE2 4.39Å; P154-F201 HydrophobicContact CB-CG 3.61Å; P154-F201 HydrophobicContact CB-CZ 4.45Å; P154-F201 HydrophobicContact CG-CB 3.78Å; P154-F201 HydrophobicContact CG-CD1 4.12Å; P154-F201 HydrophobicContact CG-CG 3.98Å; I156-F201 HydrophobicContact CD1-CD2 3.75Å; I156-F201 HydrophobicContact CD1-CE2 4.46Å; I156-F201 HydrophobicContact CG1-CD2 3.71Å; I156-F201 HydrophobicContact CG1-CE2 4Å; Q176-F201 HydrophobicContact CG-CZ 4.43Å; Q197-F201 HydrophobicContact CG-CD2 3.67Å; Q197-F201 HydrophobicContact CG-CE2 3.42Å; Q197-F201 VanDerWaalsContact CG-CE2 3.42Å; Q197-F201 HydrophobicContact CG-CZ 4.47Å; Q197-F201 VanDerWaalsContact O-CD2 3.27Å; Q197-F201 WeakPolarHBondContact O-CD2 3.1Å; Q197-F201 PolarHBondContact O-N 3.49Å; Q197-F201 VanDerWaalsContact O-N 3.07Å; F201-E204 PolarHBondContact O-N 3.43Å; F201-A205 WeakPolarHBondContact O-CB 3.44Å; F201-A205 PolarHBondContact O-N 3.01Å
202Y95.2Very high94.9Very high44 Ų4455.2 Ų55.217%0.17329%0.288CS..Hα-helixtrans-68.8-37.9175.8-166.5-95.3000111.7G51 V53 V121 V198 E200 E204 A205 K206G51-Y202 VanDerWaalsContact O-CE2 3.32Å; G51-Y202 WeakPolarHBondContact O-CE2 2.97Å; V53-Y202 HydrophobicContact CG2-CD2 3.48Å; V53-Y202 VanDerWaalsContact CG2-CD2 3.48Å; V53-Y202 HydrophobicContact CG2-CE2 3.87Å; V53-Y202 HydrophobicContact CG2-CG 4.35Å; V121-Y202 HydrophobicContact CG2-CD2 4.14Å; V198-Y202 WeakPolarHBondContact O-CB 3.4Å; V198-Y202 PolarHBondContact O-N 3.2Å; E200-Y202 VanDerWaalsContact C-N 3.35Å; E200-Y202 PolarHBondContact O-N 2.95Å; Y202-E204 VanDerWaalsContact C-N 3.34Å; Y202-A205 PolarHBondContact O-N 3.38Å; Y202-K206 WeakPolarHBondContact O-CB 2.96Å; Y202-K206 PolarHBondContact O-N 3.46Å
203G95.4Very high94.7Very high27 Ų2752.6 Ų52.628%0.27828%0.278SS..Hα-helixtrans-62.8-39.717400000112.5K199 E200 K206 K207K199-G203 PolarHBondContact O-N 3.48Å; E200-G203 PolarHBondContact O-N 3.3Å; E200-G203 VanDerWaalsContact O-N 3.14Å; G203-K206 PolarHBondContact O-N 3.08Å; G203-K207 WeakPolarHBondContact O-CG 3.44Å; G203-K207 PolarHBondContact O-N 3.44Å; G203-K207 VanDerWaalsContact O-N 3.08Å
204E94Very high94.4Very high84 Ų8456 Ų5639%0.39329%0.289SS..Hα-helixtrans-65.6-44.3172.5-69.4-175167.800112.4E200 F201 Y202 K206 K207 R208E200-E204 WeakPolarHBondContact O-CG 3.32Å; E200-E204 PolarHBondContact O-N 3.15Å; F201-E204 PolarHBondContact O-N 3.43Å; Y202-E204 VanDerWaalsContact C-N 3.34Å; E204-K206 VanDerWaalsContact C-N 3.3Å; E204-K206 PolarHBondContact O-N 3.37Å; E204-K207 PolarHBondContact O-N 3.3Å; E204-R208 PolarHBondContact O-N 3.11Å; E204-R208 VanDerWaalsContact O-N 3.08Å; E204-R208 PolarHBondContact O-NH1 3.14Å
205A92.8Very high93.9Very high8 Ų859.5 Ų59.57%0.06631%0.311CS..Hα-helixtrans-56.8-44174.200000112.3F201 Y202 R208 A209F201-A205 WeakPolarHBondContact O-CB 3.44Å; F201-A205 PolarHBondContact O-N 3.01Å; Y202-A205 PolarHBondContact O-N 3.38Å; A205-R208 PolarHBondContact O-N 2.76Å; A205-A209 PolarHBondContact O-N 2.75Å
206K94.6Very high93.4Very high106 Ų10660.7 Ų60.746%0.46132%0.324SS..Hα-helixtrans-62.7-49.9177.9-174.5175.1175179.70112.8C50 Y202 G203 E204 R208 A209 E210C50-K206 HydrophobicContact CB-CB 4.2Å; C50-K206 HydrophobicContact CB-CG 4.39Å; Y202-K206 WeakPolarHBondContact O-CB 2.96Å; Y202-K206 PolarHBondContact O-N 3.46Å; G203-K206 PolarHBondContact O-N 3.08Å; E204-K206 VanDerWaalsContact C-N 3.3Å; E204-K206 PolarHBondContact O-N 3.37Å; K206-R208 PolarHBondContact O-N 3.41Å; K206-A209 PolarHBondContact O-N 3.27Å; K206-E210 WeakPolarHBondContact CE-OE1 3.36Å; K206-E210 WeakPolarHBondContact O-CG 3.24Å; K206-E210 PolarHBondContact O-N 2.66Å
207K94.3Very high92.9Very high150 Ų15059.7 Ų59.765%0.65232%0.32SS*.Hα-helixtrans-57.5-37.4177.6-72.8173.1-176.7175.40112.1G203 E204 A211G203-K207 WeakPolarHBondContact O-CG 3.44Å; G203-K207 PolarHBondContact O-N 3.44Å; G203-K207 VanDerWaalsContact O-N 3.08Å; E204-K207 PolarHBondContact O-N 3.3Å; K207-A211 WeakPolarHBondContact O-CB 3.41Å; K207-A211 PolarHBondContact O-N 2.82Å
208R89.8Confident92.3Very high56 Ų5664.5 Ų64.521%0.21134%0.343CS..Hα-helixtrans-68.8-46.4177.6-172.1-179.4-54.688.68.7112.2Y151 E204 A205 K206 E210 A211 A212Y151-R208 VanDerWaalsContact CE2-NH1 3.31Å; Y151-R208 PolarHBondContact OH-NH1 2.91Å; E204-R208 PolarHBondContact O-N 3.11Å; E204-R208 VanDerWaalsContact O-N 3.08Å; E204-R208 PolarHBondContact O-NH1 3.14Å; A205-R208 PolarHBondContact O-N 2.76Å; K206-R208 PolarHBondContact O-N 3.41Å; R208-E210 VanDerWaalsContact C-N 3.27Å; R208-E210 PolarHBondContact O-N 3.49Å; R208-A211 PolarHBondContact O-N 3.48Å; R208-A211 VanDerWaalsContact O-N 3.13Å; R208-A212 WeakPolarHBondContact O-CB 3.03Å; R208-A212 PolarHBondContact O-N 3.24Å
209A91.3Very high91.3Very high6 Ų670.4 Ų70.45%0.0537%0.37CS..Hα-helixtrans-58.7-41.6176.400000111.6P47 C50 A205 K206 A212 A213P47-A209 WeakPolarHBondContact O-CA 3.34Å; C50-A209 HydrophobicContact CB-CB 3.96Å; A205-A209 PolarHBondContact O-N 2.75Å; K206-A209 PolarHBondContact O-N 3.27Å; A209-A212 PolarHBondContact O-N 3.29Å; A209-A213 WeakPolarHBondContact O-CB 3.49Å; A209-A213 PolarHBondContact O-N 3.26Å
210E93.6Very high90.1Very high101 Ų10170 Ų7047%0.47237%0.37SS..Hα-helixtrans-62.5-42.9174.5-70.7170.4178.400112.1K206 R208 A213 L214K206-E210 WeakPolarHBondContact CE-OE1 3.36Å; K206-E210 WeakPolarHBondContact O-CG 3.24Å; K206-E210 PolarHBondContact O-N 2.66Å; R208-E210 VanDerWaalsContact C-N 3.27Å; R208-E210 PolarHBondContact O-N 3.49Å; E210-A213 PolarHBondContact O-N 3.02Å; E210-L214 WeakPolarHBondContact O-CG 3.37Å; E210-L214 PolarHBondContact O-N 3.23Å
211A91.2Very high89Confident52 Ų5270.6 Ų70.643%0.4338%0.376SS..Hα-helixtrans-64.3-43.7175.800000112.2K207 R208 A213 L214 V215K207-A211 WeakPolarHBondContact O-CB 3.41Å; K207-A211 PolarHBondContact O-N 2.82Å; R208-A211 PolarHBondContact O-N 3.48Å; R208-A211 VanDerWaalsContact O-N 3.13Å; A211-A213 VanDerWaalsContact C-N 3.34Å; A211-A213 PolarHBondContact O-N 2.74Å; A211-L214 PolarHBondContact O-N 2.96Å; A211-V215 WeakPolarHBondContact O-CG2 3.47Å; A211-V215 PolarHBondContact O-N 3.34Å
212A89.4Confident87.5Confident9 Ų973.2 Ų73.27%0.07440%0.398CS..Hα-helixtrans-62.6-40.9175.900000111.7E46 R208 A209 L214 V215 A216E46-A212 HydrophobicContact CB-CB 3.68Å; R208-A212 WeakPolarHBondContact O-CB 3.03Å; R208-A212 PolarHBondContact O-N 3.24Å; A209-A212 PolarHBondContact O-N 3.29Å; A212-L214 PolarHBondContact O-N 3.43Å; A212-V215 PolarHBondContact O-N 2.96Å; A212-A216 WeakPolarHBondContact O-CB 3.44Å; A212-A216 PolarHBondContact O-N 3.39Å
213A90.6Very high85.8Confident36 Ų3675.2 Ų75.230%0.29841%0.41SS..Hα-helixtrans-62.3-40.317500000112.3T48 A209 E210 A211 A216 A217T48-A213 HydrophobicContact CG2-CB 4.38Å; A209-A213 WeakPolarHBondContact O-CB 3.49Å; A209-A213 PolarHBondContact O-N 3.26Å; E210-A213 PolarHBondContact O-N 3.02Å; A211-A213 VanDerWaalsContact C-N 3.34Å; A211-A213 PolarHBondContact O-N 2.74Å; A213-A216 PolarHBondContact O-N 2.73Å; A213-A217 WeakPolarHBondContact O-CB 3.33Å; A213-A217 PolarHBondContact O-N 2.51Å
214L91.1Very high84.1Confident116 Ų11677.3 Ų77.361%0.60742%0.415SS*.Hα-helixtrans-64-43.3175.2-72.7171.6000112E210 A211 A212 A217 Q218E210-L214 WeakPolarHBondContact O-CG 3.37Å; E210-L214 PolarHBondContact O-N 3.23Å; A211-L214 PolarHBondContact O-N 2.96Å; A212-L214 PolarHBondContact O-N 3.43Å; L214-A217 PolarHBondContact O-N 3.01Å; L214-Q218 WeakPolarHBondContact O-CG 3.21Å; L214-Q218 PolarHBondContact O-N 2.91Å
215V88Confident82.3Confident75 Ų7576 Ų7646%0.45542%0.419SS..Hα-helixtrans-63.3-44.8176.1172.60000110.7A211 A212 A217 Q218 H219A211-V215 WeakPolarHBondContact O-CG2 3.47Å; A211-V215 PolarHBondContact O-N 3.34Å; A212-V215 PolarHBondContact O-N 2.96Å; V215-A217 PolarHBondContact O-N 3.3Å; V215-Q218 PolarHBondContact O-N 3.04Å; V215-H219 PolarHBondContact O-CD2 3.18Å; V215-H219 VanDerWaalsContact O-CD2 3.24Å; V215-H219 PolarHBondContact O-N 2.93Å
216A86.6Confident80.5Confident47 Ų4783.5 Ų83.539%0.38845%0.45SS..Hα-helixtrans-61.7-42.117700000112.3T48 A212 A213 Q218 H219 Q220T48-A216 HydrophobicContact CG2-CB 4.02Å; A212-A216 WeakPolarHBondContact O-CB 3.44Å; A212-A216 PolarHBondContact O-N 3.39Å; A213-A216 PolarHBondContact O-N 2.73Å; A216-Q218 PolarHBondContact O-N 2.7Å; A216-H219 PolarHBondContact O-N 3.31Å; A216-Q220 PolarHBondContact O-N 3.37Å
217A87.3Confident78.6Confident53 Ų5384.9 Ų84.944%0.43846%0.456SS..Hα-helixtrans-64.3-38.4176.400000112.4A213 L214 V215 Q220 L221A213-A217 WeakPolarHBondContact O-CB 3.33Å; A213-A217 PolarHBondContact O-N 2.51Å; L214-A217 PolarHBondContact O-N 3.01Å; V215-A217 PolarHBondContact O-N 3.3Å; A217-Q220 PolarHBondContact O-N 3.06Å; A217-L221 WeakPolarHBondContact O-CG 3.47Å; A217-L221 PolarHBondContact O-N 3.24Å; A217-L221 VanDerWaalsContact O-N 3.07Å
218Q84.4Confident76.4Confident135 Ų13585.3 Ų85.363%0.63146%0.46SS*.Hα-helixtrans-64.7-41.3174.7-74.2176.7-500112.1L214 V215 A216 Q220 L221 S222L214-Q218 WeakPolarHBondContact O-CG 3.21Å; L214-Q218 PolarHBondContact O-N 2.91Å; V215-Q218 PolarHBondContact O-N 3.04Å; A216-Q218 PolarHBondContact O-N 2.7Å; Q218-Q220 VanDerWaalsContact C-N 3.33Å; Q218-Q220 PolarHBondContact O-N 3.39Å; Q218-L221 PolarHBondContact O-N 2.89Å; Q218-S222 PolarHBondContact O-N 3.39Å; Q218-S222 VanDerWaalsContact O-N 3.09Å
219H78.4Confident74.6Confident123 Ų12389.6 Ų89.657%0.56949%0.486SS*.Hα-helixtrans-62.2-40.2174.1-83.3-72.6000112.1V215 A216 S222 I223V215-H219 PolarHBondContact O-CD2 3.18Å; V215-H219 VanDerWaalsContact O-CD2 3.24Å; V215-H219 PolarHBondContact O-N 2.93Å; A216-H219 PolarHBondContact O-N 3.31Å; H219-S222 PolarHBondContact O-N 3.41Å; H219-I223 WeakPolarHBondContact O-CG1 3.39Å; H219-I223 PolarHBondContact O-N 3.47Å; H219-I223 VanDerWaalsContact O-N 3.11Å
220Q72.7Confident72.7Confident103 Ų10395 Ų9548%0.48152%0.519SS..Hα-helixtrans-64.3-45.3178.2-170.160.330.600112.1A216 A217 Q218 S222 I223 D224A216-Q220 PolarHBondContact O-N 3.37Å; A217-Q220 PolarHBondContact O-N 3.06Å; Q218-Q220 VanDerWaalsContact C-N 3.33Å; Q218-Q220 PolarHBondContact O-N 3.39Å; Q220-S222 VanDerWaalsContact C-N 3.3Å; Q220-S222 PolarHBondContact O-N 2.95Å; Q220-I223 PolarHBondContact O-N 3.1Å; Q220-D224 PolarHBondContact O-N 2.9Å; Q220-D224 VanDerWaalsContact O-N 3.12Å
221L72.2Confident70.4Confident128 Ų12894 Ų9467%0.6753%0.528SS*.Hα-helixtrans-62.1-36.5176.5-70.7170.8000112.3A217 Q218 A225A217-L221 WeakPolarHBondContact O-CG 3.47Å; A217-L221 PolarHBondContact O-N 3.24Å; A217-L221 VanDerWaalsContact O-N 3.07Å; Q218-L221 PolarHBondContact O-N 2.89Å; L221-A225 PolarHBondContact O-N 3Å; L221-A225 VanDerWaalsContact O-N 3.11Å
222S64.1Low68Low79 Ų7997.2 Ų97.255%0.55255%0.547SS*.Hα-helixtrans-69.3-32.1176.7-174.50000113.2Q218 H219 Q220 K226Q218-S222 PolarHBondContact O-N 3.39Å; Q218-S222 VanDerWaalsContact O-N 3.09Å; H219-S222 PolarHBondContact O-N 3.41Å; Q220-S222 VanDerWaalsContact C-N 3.3Å; Q220-S222 PolarHBondContact O-N 2.95Å; S222-K226 PolarHBondContact O-N 3.38Å
223I60.7Low65.6Low85 Ų8599.9 Ų99.944%0.43658%0.576SS.*Hα-helixtrans-73.1-41.2177.8-68165.9000110.2H219 Q220 K226 K227H219-I223 WeakPolarHBondContact O-CG1 3.39Å; H219-I223 PolarHBondContact O-N 3.47Å; H219-I223 VanDerWaalsContact O-N 3.11Å; Q220-I223 PolarHBondContact O-N 3.1Å; I223-K226 PolarHBondContact O-N 3.42Å; I223-K227 PolarHBondContact O-N 2.92Å
224D59.4Low63Low71 Ų71105.2 Ų105.238%0.3860%0.599SS.*Hα-helixtrans-68.9-36.6179.3-73.1-25.8000112.2Q220 K226 K227 H228Q220-D224 PolarHBondContact O-N 2.9Å; Q220-D224 VanDerWaalsContact O-N 3.12Å; D224-K226 PolarHBondContact O-N 2.95Å; D224-K227 PolarHBondContact O-N 2.87Å; D224-H228 PolarHBondContact O-N 2.97Å; D224-H228 VanDerWaalsContact O-N 3.15Å
225A55.2Low60.7Low58 Ų58106 Ų10648%0.47961%0.609SS.*Hα-helixtrans-60.4-35171.600000112.4L221 H228 L229L221-A225 PolarHBondContact O-N 3Å; L221-A225 VanDerWaalsContact O-N 3.11Å; A225-H228 PolarHBondContact O-N 3.15Å; A225-L229 PolarHBondContact O-N 2.64Å
226K55.2Low58Low164 Ų164105.5 Ų105.571%0.71362%0.619SS**Hα-helixtrans-77.2-33.5-179.8-157.8163.6-175.1175.40112.7S222 I223 D224 H228 L229S222-K226 PolarHBondContact O-N 3.38Å; I223-K226 PolarHBondContact O-N 3.42Å; D224-K226 PolarHBondContact O-N 2.95Å; K226-H228 VanDerWaalsContact C-N 3.3Å; K226-H228 PolarHBondContact O-N 3.34Å; K226-L229 PolarHBondContact O-N 3.47Å
227K54.2Low55.6Low135 Ų135113.2 Ų113.259%0.58765%0.645SS**Hα-helixtrans-64.3-35.2171.3-73.8179.5-179.7172.20112.1I223 D224 L229 T230I223-K227 PolarHBondContact O-N 2.92Å; D224-K227 PolarHBondContact O-N 2.87Å; K227-L229 VanDerWaalsContact C-N 3.34Å; K227-L229 PolarHBondContact O-N 3.49Å; K227-T230 PolarHBondContact O-N 3.4Å; K227-T230 PolarHBondContact O-OG1 3.38Å; K227-T230 VanDerWaalsContact O-OG1 3.12Å
228H49.2Very low52.9Low160 Ų160115.8 Ų115.874%0.74166%0.657SS**Hα-helixtrans-71-25.1178.7-111.7-76.4000114D224 A225 K226D224-H228 PolarHBondContact O-N 2.97Å; D224-H228 VanDerWaalsContact O-N 3.15Å; A225-H228 PolarHBondContact O-N 3.15Å; K226-H228 VanDerWaalsContact C-N 3.3Å; K226-H228 PolarHBondContact O-N 3.34Å
229L51.8Low50.3Low145 Ų145115.6 Ų115.676%0.75967%0.665SS**Hα-helixtrans-79.2-19.9175-101.890.7000114.2A225 K226 K227A225-L229 PolarHBondContact O-N 2.64Å; K226-L229 PolarHBondContact O-N 3.47Å; K227-L229 VanDerWaalsContact C-N 3.34Å; K227-L229 PolarHBondContact O-N 3.49Å
230T51.3Low48.1Very low119 Ų119117.8 Ų117.873%0.7368%0.677SS**THydrogen-bonded Turntrans-87.8-0.1-179.850.30000114.3K227K227-T230 PolarHBondContact O-N 3.4Å; K227-T230 PolarHBondContact O-OG1 3.38Å; K227-T230 VanDerWaalsContact O-OG1 3.12Å
231A46.1Very low46.5Very low81 Ų81117.5 Ų117.567%0.66968%0.684SS**THydrogen-bonded Turntrans-92.16.1178.700000114.4G233A231-G233 PolarHBondContact O-N 3.49Å
232S40Very low44.4Very low119 Ų119117.3 Ų117.383%0.83269%0.694SS**  trans-83.265.4168.5-68.90000110.2
233G38.9Very low43Very low65 Ų65118.3 Ų118.367%0.6770%0.701SS**  trans-125.182.8175.200000109.1A231A231-G233 PolarHBondContact O-N 3.49Å
234D37Very low41.8Very low149 Ų149121.8 Ų121.880%0.79772%0.72SS**  trans-31122.4167.1-167.213000115.1
235T42.9Very low40.4Very low131 Ų131124.2 Ų124.280%0.80474%0.737SS**  165.4124.9125.135.30000109.9
236G31Very low39.5Very low66 Ų66128.2 Ų128.268%0.6876%0.756SS**  trans-73.5152.5-168.700000115.4
237F35.2Very low38.4Very low209 Ų209126.6 Ų126.692%0.91775%0.754SS**  trans-139.5128.6137.1-94-81.4000108.5
238P30.5Very low37.3Very low106 Ų106128.2 Ų128.269%0.68877%0.769SS**  trans-90.5174.7-179.432.7-25.5000111.8
239V29.6Very low36.3Very low132 Ų132127.8 Ų127.880%0.877%0.767SS**  trans87.9125.9159.9-168.10000113
240M32.5Very low35.5Very low169 Ų169127.4 Ų127.483%0.83377%0.771SS**  cis-160.217816.2-117.6-117.7122.400108.3
241P39.7Very low34.5Very low97 Ų97129 Ų12963%0.6378%0.775SS**  trans-107.7167.9-133.341.6-39.1000116.2
242S27Very low33.5Very low124 Ų124129.1 Ų129.187%0.86778%0.776SS**  trans-50.9135.8165.2-44.80000114.7
243S36Very low33Very low100 Ų100129.1 Ų129.170%0.69978%0.775SS**  trans-131.3107.5159.550.60000107.7
244D34.4Very low32.6Very low157 Ų157131.5 Ų131.584%0.8478%0.779SS**  158111.4114.1-83-22.9000111.3
245V31.3Very low32.4Very low123 Ų123130.9 Ų130.975%0.74578%0.78SS**  trans-86.9125.6171.8167.30000107.2L247V245-L247 HydrophobicContact CG1-CB 4.24Å
246T34.8Very low31.9Very low142 Ų142130.6 Ų130.687%0.87178%0.778SS**  trans-134.1105.6147.232.80000109.3
247L33.3Very low31.7Very low130 Ų130133.3 Ų133.368%0.68179%0.787SS**  trans-97.1105-176.7-160.685.5000107V245 H249V245-L247 HydrophobicContact CG1-CB 4.24Å; L247-H249 VanDerWaalsContact CD2-CD2 3.41Å; L247-H249 WeakPolarHBondContact CD2-CD2 3.41Å; L247-H249 PolarHBondContact O-N 3.06Å
248N31.6Very low31.7Very low168 Ų168128.8 Ų128.890%0.89878%0.781SS**  trans-85.493.5171.2-82.7-23000109.4
249H27.9Very low31.6Very low152 Ų152135.5 Ų135.570%0.70479%0.793SS**  trans-91.6141.9153.1-83.1-91.9000108.2L247L247-H249 VanDerWaalsContact CD2-CD2 3.41Å; L247-H249 WeakPolarHBondContact CD2-CD2 3.41Å; L247-H249 PolarHBondContact O-N 3.06Å
250V34.4Very low31.7Very low137 Ų137133.2 Ų133.283%0.8380%0.796SS**  trans-178.6129.5132.4160.50000110.3
251N30Very low31.4Very low153 Ų153129.9 Ų129.982%0.81879%0.789SS**  trans71.999.2157.1-95.41.9000123
252A24.8Very low31.1Very low83 Ų83133.6 Ų133.669%0.68680%0.803SS**  trans-66.5145135.800000112.2
253S29.5Very low31.1Very low118 Ų118131 Ų13183%0.82580%0.796SS**  -172.1139.9120.9-810000111.6
254P31.9Very low30.9Very low115 Ų115131.9 Ų131.975%0.74780%0.799SS**  trans-94.8169.7175.538.9-32.3000111.1
255V31.7Very low30.6Very low136 Ų136129.8 Ų129.882%0.82480%0.797SS**  trans160.4116145.3157.50000107.4
256V32.1Very low31Very low126 Ų126129.5 Ų129.576%0.76480%0.797SS**  -175.1105.7122.7157.90000106
257S27.3Very low30.7Very low123 Ų123126.7 Ų126.786%0.8680%0.797SS**  trans-81.5128.7163.9-113.80000108.1
258S35.1Very low30.5Very low114 Ų114128.4 Ų128.480%0.79781%0.806SS**  trans-121.7104.8159.8-76.50000109.2
259R28.7Very low30.3Very low247 Ų247131.8 Ų131.893%0.93281%0.806SS**  trans-56.2127.3166.6-105.6170.2168.1177-3.3110.5
260G31Very low30.3Very low84 Ų84135.2 Ų135.287%0.86681%0.813SS**  trans-123.7108152.900000107.7
261S26.7Very low29.8Very low98 Ų98137 Ų13769%0.68581%0.812SS**  trans-115.5166.4179.7172.60000108.4
262L34.1Very low29.7Very low175 Ų175137.2 Ų137.292%0.91681%0.813SS**  trans94.9121.6174.9-49.7166.9000112.3
263G27.5Very low29.8Very low70 Ų70138.6 Ų138.672%0.72282%0.815SS**  cis-176.3-176.614.200000110.7
264P29.9Very low29.8Very low118 Ų118140.5 Ų140.577%0.76681%0.814SS**  trans-117.2148.9-141.337-25.6000117.4
265S29Very low29.5Very low114 Ų114143 Ų14380%0.79782%0.816SS**  trans62.2173.3133.5-45.70000120.1
266P39.2Very low29.3Very low116 Ų116144.7 Ų144.775%0.75382%0.819SS**  -128.7156.9-98.231.7-9.8000114.9
267G28.5Very low28.8Very low84 Ų84143 Ų14387%0.86681%0.813SS**  trans-99.4108.217400000113
268L28.9Very low28.8Very low165 Ų165143.4 Ų143.486%0.86481%0.805SS**  trans-72.4128.4167.4-81.9128.5000111.9
269R29.2Very low28.3Very low240 Ų240146.8 Ų146.891%0.90681%0.809SS**  trans-168.3144148.4-77.4-149.3177-156.1-0.4107.8
270R27.3Very low28.3Very low224 Ų224142.2 Ų142.285%0.84580%0.801SS**  cis-172.3135.8-18171.3172.4174.8146.4-3.7101.9
271E24.3Very low27.9Very low175 Ų175141.5 Ų141.582%0.81879%0.793SS**  trans-67.9148.2-177.8-57.6178.7139.700112.8
272D26.3Very low27.9Very low157 Ų157144.5 Ų144.584%0.8480%0.801SS**  trans-142.9121.3149.7-88.6-37.6000108.8
273P27.4Very low27.6Very low111 Ų111141.3 Ų141.372%0.72179%0.791SS**  trans-96.8121179.633.1-27.2000111.2
274I29.7Very low27.5Very low158 Ų158148 Ų14881%0.8180%0.8SS**  trans-96.4109.3168.1-60.2176.9000108.6L276I274-L276 PolarHBondContact O-N 3.33Å
275H25Very low27.5Very low169 Ų169149.5 Ų149.578%0.78280%0.8SS**  trans-51.1119.2163.4-92.9-106.5000111.1
276L27.6Very low27.3Very low171 Ų171153.6 Ų153.690%0.89580%0.798SS**  trans-123.599.5154-128.681.9000108.4I274I274-L276 PolarHBondContact O-N 3.33Å
277S22.8Very low26.7Very low89 Ų89155.3 Ų155.362%0.62280%0.801SS**  trans-96155.2172.7-171.20000109.7
278N26Very low26.6Very low132 Ų132158 Ų15871%0.70679%0.791SS**  trans89.296.1166.4-56.3-8.1000114.8
279Q25Very low26.5Very low186 Ų186157.9 Ų157.987%0.86979%0.791SS**  48.18076.2-65.8-85.8-2.700111.8
280I28.8Very low26.3Very low151 Ų151152.7 Ų152.777%0.77479%0.786SS**  trans-112.6106.5157-67.4174.8000105.9L282I280-L282 HydrophobicContact CG2-CD1 4.39Å
281G22.7Very low26.4Very low68 Ų68149.1 Ų149.170%0.70178%0.782SS**  trans-69.4135.1170.300000110.4
282L27.2Very low26.7Very low161 Ų161145.9 Ų145.984%0.84378%0.777SS**  trans-123.7139.4154.4-111.995.3000109.5I280I280-L282 HydrophobicContact CG2-CD1 4.39Å
283P27.6Very low26.7Very low109 Ų109146 Ų14671%0.70878%0.776SS**  trans-90.7148.8-160.434.2-29.4000113I285P283-I285 PolarHBondContact O-N 3.18Å; P283-I285 VanDerWaalsContact O-N 3.1Å
284K25.4Very low26.9Very low209 Ų209149.1 Ų149.191%0.90978%0.78SS**  trans-44.196.7166.8-138.6167.8-174.1170.70112.1R286K284-R286 PolarHBondContact O-N 3.41Å
285I30.8Very low26.8Very low151 Ų151145.9 Ų145.977%0.77477%0.772SS**  trans-88.698.8164-62178.6000107.8P283P283-I285 PolarHBondContact O-N 3.18Å; P283-I285 VanDerWaalsContact O-N 3.1Å
286R23.1Very low26.9Very low200 Ų200144.5 Ų144.576%0.75577%0.771SS**  trans-89.7101.9170.1176.1-176.4-174.2173.20.9107.2K284K284-R286 PolarHBondContact O-N 3.41Å
287N26.4Very low27.1Very low151 Ų151143.7 Ų143.781%0.80777%0.765SS**  trans-113.8113.2165-97.7-15.7000109.5
288Q26.3Very low27.4Very low140 Ų140145.2 Ų145.265%0.65477%0.771SS**  trans-74.8124.3165.3-59.7173.336.200106.4
289N28.9Very low27.6Very low163 Ų163143.9 Ų143.987%0.87277%0.772SS**  trans-148.1113.3154.7-102.5-8.1000109.2
290T24.1Very low28Very low132 Ų132145.4 Ų145.481%0.8177%0.77SS**  trans-75.6124.5177.2-36.30000108.8
291I30Very low28.3Very low148 Ų148143 Ų14376%0.75976%0.764SS**  trans-131.4120.7155.9-56.9178.9000106.4I293I291-I293 PolarHBondContact O-N 2.85Å
292P29.3Very low29.1Very low107 Ų107144.7 Ų144.770%0.69576%0.756SS**  trans-68123.6179.327.1-31000109.6Q294P292-Q294 PolarHBondContact O-N 3.34Å
293I27.5Very low30Very low160 Ų160138 Ų13882%0.82173%0.725SS**  trans-71.192.2176.1-61.3165.5000107.2I291 S295I291-I293 PolarHBondContact O-N 2.85Å; I293-S295 PolarHBondContact O-N 3.45Å
294Q30.5Very low31.1Very low176 Ų176136.7 Ų136.782%0.82272%0.715SS**  trans-76.899.1162.9-83.6-175.5-33.800107.9P292 N296P292-Q294 PolarHBondContact O-N 3.34Å; Q294-N296 VanDerWaalsContact C-N 3.25Å; Q294-N296 PolarHBondContact O-N 3.45Å
295S28.3Very low32.3Very low91 Ų91131 Ų13164%0.63669%0.694SS**  trans-72.772.517755.40000111.2I293 I297I293-S295 PolarHBondContact O-N 3.45Å; S295-I297 VanDerWaalsContact C-N 3.26Å; S295-I297 PolarHBondContact O-N 2.96Å
296N27.6Very low33.9Very low140 Ų140125.5 Ų125.575%0.74967%0.671SS**  trans-86.276.7162.2-77.7-4.7000108Q294 T298Q294-N296 VanDerWaalsContact C-N 3.25Å; Q294-N296 PolarHBondContact O-N 3.45Å; N296-T298 PolarHBondContact O-N 3.37Å
297I30.5Very low36.1Very low153 Ų153119.4 Ų119.479%0.78565%0.648SS**  trans-74.480.6166-54.7174.6000105.8S295 S299S295-I297 VanDerWaalsContact C-N 3.26Å; S295-I297 PolarHBondContact O-N 2.96Å; I297-S299 VanDerWaalsContact C-N 3.29Å; I297-S299 PolarHBondContact O-N 2.74Å
298T30.7Very low38.1Very low122 Ų122119 Ų11975%0.74864%0.636SS**  trans-60.1100.7161.9340000106.8N296 R300N296-T298 PolarHBondContact O-N 3.37Å; T298-R300 PolarHBondContact O-N 2.84Å
299S30Very low40.4Very low103 Ų103117.8 Ų117.872%0.7263%0.63SS**  trans-55.6100.2169.250.50000107.8I297 P301I297-S299 VanDerWaalsContact C-N 3.29Å; I297-S299 PolarHBondContact O-N 2.74Å; S299-P301 WeakPolarHBondContact O-CD 3.47Å; S299-P301 VanDerWaalsContact O-N 3.09Å
300R33.2Very low42.9Very low218 Ų218110.4 Ų110.482%0.82359%0.591SS**  trans-59.8115.4171.1-86.6-175.3174.5-151.7-3.2107.1T298 L302T298-R300 PolarHBondContact O-N 2.84Å; R300-L302 PolarHBondContact O-N 3.2Å
301P33.8Very low46Very low101 Ų101104.4 Ų104.466%0.65655%0.554SS**  trans-59140.11770.84.3000108.6S299 A303S299-P301 WeakPolarHBondContact O-CD 3.47Å; S299-P301 VanDerWaalsContact O-N 3.09Å; P301-A303 PolarHBondContact O-N 3.1Å
302L39.6Very low48.8Very low103 Ų103101 Ų10154%0.53953%0.532SS..  trans-45.3139169.9-92.578.5000109.3R300 T304 N305R300-L302 PolarHBondContact O-N 3.2Å; L302-T304 PolarHBondContact O-N 3.04Å; L302-N305 PolarHBondContact O-N 3.12Å
303A46.6Very low51.4Low22 Ų22100.6 Ų100.618%0.18253%0.529CS..Hα-helixtrans-60.4-1.9-177.700000114.4P301P301-A303 PolarHBondContact O-N 3.1Å
304T49.7Very low54.4Low81 Ų8196.2 Ų96.250%0.49751%0.513SS..Hα-helixtrans-73.7-27.2-179.555.80000113.4L302 W307L302-T304 PolarHBondContact O-N 3.04Å; T304-W307 PolarHBondContact O-NE1 3.4Å
305N52.2Low57.3Low88 Ų8887.9 Ų87.947%0.47147%0.474SS..Hα-helixtrans-108.5-23.8176.7-71.3-19.8000113.4L302 W307 R308L302-N305 PolarHBondContact O-N 3.12Å; N305-W307 PolarHBondContact O-N 2.87Å; N305-W307 VanDerWaalsContact O-N 3.12Å; N305-R308 WeakPolarHBondContact O-CB 3.4Å; N305-R308 PolarHBondContact O-N 3.32Å
306A62.8Low60.3Low36 Ų3688 Ų8830%0.29846%0.46SS..Hα-helixtrans-56.3-33.3-176.600000113.3R308 H309 A310A306-R308 VanDerWaalsContact C-N 3.31Å; A306-R308 PolarHBondContact O-N 3.41Å; A306-H309 CarbonylContact O-C 3.56Å; A306-H309 PolarHBondContact O-N 2.84Å; A306-A310 PolarHBondContact O-N 2.93Å
307W70.5Confident63.5Low72 Ų7288.2 Ų88.227%0.27346%0.461SS..G310 helixtrans-68.1-27.117970.2-92.4000113.5T304 N305 H309 A310T304-W307 PolarHBondContact O-NE1 3.4Å; N305-W307 PolarHBondContact O-N 2.87Å; N305-W307 VanDerWaalsContact O-N 3.12Å; W307-H309 PolarHBondContact O-N 3.49Å; W307-A310 VanDerWaalsContact O-CB 3.32Å; W307-A310 WeakPolarHBondContact O-CB 3.33Å; W307-A310 PolarHBondContact O-N 3.02Å
308R68.8Low66.6Low143 Ų14382.8 Ų82.854%0.5443%0.431SS..G310 helixtrans-67.9-26.3176.1-67.1-168.5-177.9167.76.7112.2N305 A306N305-R308 WeakPolarHBondContact O-CB 3.4Å; N305-R308 PolarHBondContact O-N 3.32Å; A306-R308 VanDerWaalsContact C-N 3.31Å; A306-R308 PolarHBondContact O-N 3.41Å
309H73.5Confident69.5Low114 Ų11480.2 Ų80.253%0.52842%0.418SS..G310 helixtrans-107.423.1178.3-52.4-75.3000111.5A306 W307 I311 P389A306-H309 CarbonylContact O-C 3.56Å; A306-H309 PolarHBondContact O-N 2.84Å; W307-H309 PolarHBondContact O-N 3.49Å; H309-I311 PolarHBondContact O-N 3.47Å; H309-P389 WeakPolarHBondContact O-CD 3.41Å; H309-P389 WeakPolarHBondContact O-CG 3.46Å
310A81.7Confident72.5Confident8 Ų877.9 Ų77.97%0.06640%0.4CS..SBendtrans-60.7-29.3177.700000112.2A306 W307 A352 I356A306-A310 PolarHBondContact O-N 2.93Å; W307-A310 VanDerWaalsContact O-CB 3.32Å; W307-A310 WeakPolarHBondContact O-CB 3.33Å; W307-A310 PolarHBondContact O-N 3.02Å; A310-A352 HydrophobicContact CB-CB 3.83Å; A310-I356 HydrophobicContact CB-CD1 3.61Å; A310-I356 HydrophobicContact CB-CG1 4.5Å
311I89Confident75.4Confident7 Ų772.1 Ų72.14%0.03639%0.392CS..SBendtrans-140.5165174.161.4170.1000110.8H309 V315 A352 L387H309-I311 PolarHBondContact O-N 3.47Å; I311-V315 HydrophobicContact CD1-CB 3.71Å; I311-V315 HydrophobicContact CD1-CG1 3.57Å; I311-V315 HydrophobicContact CD1-CG2 4.2Å; I311-V315 HydrophobicContact CG1-CB 4.47Å; I311-A352 HydrophobicContact CG1-CB 4.39Å; I311-A352 HydrophobicContact CG2-CB 3.53Å; I311-L387 CarbonylContact C-O 3.51Å; I311-L387 WeakPolarHBondContact CA-O 3.49Å; I311-L387 HydrophobicContact CB-CB 3.9Å; I311-L387 WeakPolarHBondContact CB-O 3.43Å; I311-L387 HydrophobicContact CG2-CB 3.56Å
312R88.1Confident78.3Confident77 Ų7772.5 Ų72.529%0.29138%0.383SS..  trans-53.7134.2178.2-64171.6-158.5-157.110111.5S314 V315 E386 L387 A388 E390R312-S314 PolarHBondContact O-N 3.41Å; R312-S314 VanDerWaalsContact O-N 3.11Å; R312-V315 HydrophobicContact CB-CG2 4.2Å; R312-V315 WeakPolarHBondContact O-CB 3.23Å; R312-V315 WeakPolarHBondContact O-CG2 3.28Å; R312-V315 PolarHBondContact O-N 3.42Å; R312-E386 PolarHBondContact NH2-O 3.19Å; R312-L387 WeakPolarHBondContact CG-O 3.33Å; R312-L387 PolarHBondContact N-O 3.3Å; R312-A388 WeakPolarHBondContact CG-O 3.19Å; R312-A388 PolarHBondContact NE-O 2.89Å; R312-E390 IonicContact CZ-OE1 2.68Å; R312-E390 IonicContact NH1-OE1 3.04Å; R312-E390 PolarHBondContact NH1-OE1 3.47Å; R312-E390 IonicContact NH2-OE1 3.13Å; R312-E390 PolarHBondContact NH2-OE1 3.06Å
313P85.3Confident80.8Confident97 Ų9767.6 Ų67.663%0.6336%0.357SS*.G310 helixtrans-56.4-31.4179.6-26.834.7000113.9V315 R316P313-V315 PolarHBondContact O-N 2.71Å; P313-R316 WeakPolarHBondContact O-CB 3.44Å; P313-R316 PolarHBondContact O-N 3.39Å
314S89.5Confident83Confident68 Ų6868 Ų6848%0.47636%0.36SS..G310 helixtrans-63.1-21.5179.162.70000114R312 R316 N317 W318R312-S314 PolarHBondContact O-N 3.41Å; R312-S314 VanDerWaalsContact O-N 3.11Å; S314-R316 VanDerWaalsContact C-N 3.28Å; S314-R316 PolarHBondContact O-N 3.1Å; S314-N317 PolarHBondContact O-N 2.81Å; S314-W318 VanDerWaalsContact O-CD1 3.31Å; S314-W318 PolarHBondContact O-NE1 2.87Å
315V91.8Very high85.1Confident1 Ų168 Ų681%0.00636%0.364CS..G310 helixtrans-67.1-31.6177.3-179.50000111.3I311 R312 P313 N317 W318 G345 L348 L387I311-V315 HydrophobicContact CD1-CB 3.71Å; I311-V315 HydrophobicContact CD1-CG1 3.57Å; I311-V315 HydrophobicContact CD1-CG2 4.2Å; I311-V315 HydrophobicContact CG1-CB 4.47Å; R312-V315 HydrophobicContact CB-CG2 4.2Å; R312-V315 WeakPolarHBondContact O-CB 3.23Å; R312-V315 WeakPolarHBondContact O-CG2 3.28Å; R312-V315 PolarHBondContact O-N 3.42Å; P313-V315 PolarHBondContact O-N 2.71Å; V315-N317 PolarHBondContact O-N 2.97Å; V315-N317 VanDerWaalsContact O-N 3.09Å; V315-W318 HydrophobicContact CG1-CD2 4.07Å; V315-W318 HydrophobicContact CG1-CE3 4.11Å; V315-W318 HydrophobicContact CG1-CG 4.43Å; V315-W318 HydrophobicContact CG1-CZ3 4.46Å; V315-W318 HydrophobicContact CG2-CZ2 4.16Å; V315-W318 VanDerWaalsContact O-CB 3.25Å; V315-W318 WeakPolarHBondContact O-CB 3.5Å; V315-W318 VanDerWaalsContact O-CG 3.32Å; V315-W318 PolarHBondContact O-N 3.49Å; V315-G345 WeakPolarHBondContact O-CA 3.39Å; V315-L348 HydrophobicContact CG1-CD2 3.97Å; V315-L387 HydrophobicContact CG1-CD1 4.23Å; V315-L387 HydrophobicContact CG2-CB 4.42Å; V315-L387 HydrophobicContact CG2-CD1 4.44Å; V315-L387 HydrophobicContact CG2-CD2 3.93Å; V315-L387 HydrophobicContact CG2-CG 4.5Å
316R91.8Very high87.1Confident95 Ų9565.2 Ų65.236%0.35835%0.347SS..G310 helixtrans-60-24.5179.4-71.4-176.3164.4-131.6-7.3113.3P313 S314 W318 S349P313-R316 WeakPolarHBondContact O-CB 3.44Å; P313-R316 PolarHBondContact O-N 3.39Å; S314-R316 VanDerWaalsContact C-N 3.28Å; S314-R316 PolarHBondContact O-N 3.1Å; R316-W318 VanDerWaalsContact C-N 3.27Å; R316-W318 PolarHBondContact O-N 3.05Å; R316-S349 PolarHBondContact NE-OG 2.85Å; R316-S349 PolarHBondContact NH2-OG 3.26Å
317N93.7Very high88.5Confident144 Ų14463.5 Ų63.577%0.7733%0.332SS*.G310 helixtrans-84.82.7178.4-60.7-23.5000113S314 V315 S319S314-N317 PolarHBondContact O-N 2.81Å; V315-N317 PolarHBondContact O-N 2.97Å; V315-N317 VanDerWaalsContact O-N 3.09Å; N317-S319 PolarHBondContact O-N 3.13Å
318W95.5Very high89.5Confident39 Ų3967.5 Ų67.515%0.14835%0.352CS..  trans-76.7127.2-179.9-68.716.2000110.7S314 V315 R316 K322 V323 W326 G345 L387S314-W318 VanDerWaalsContact O-CD1 3.31Å; S314-W318 PolarHBondContact O-NE1 2.87Å; V315-W318 HydrophobicContact CG1-CD2 4.07Å; V315-W318 HydrophobicContact CG1-CE3 4.11Å; V315-W318 HydrophobicContact CG1-CG 4.43Å; V315-W318 HydrophobicContact CG1-CZ3 4.46Å; V315-W318 HydrophobicContact CG2-CZ2 4.16Å; V315-W318 VanDerWaalsContact O-CB 3.25Å; V315-W318 WeakPolarHBondContact O-CB 3.5Å; V315-W318 VanDerWaalsContact O-CG 3.32Å; V315-W318 PolarHBondContact O-N 3.49Å; R316-W318 VanDerWaalsContact C-N 3.27Å; R316-W318 PolarHBondContact O-N 3.05Å; W318-K322 HydrophobicContact CB-CB 4.37Å; W318-K322 HydrophobicContact CB-CD 4.05Å; W318-K322 HydrophobicContact CB-CG 4.36Å; W318-K322 HydrophobicContact CD2-CD 3.98Å; W318-K322 HydrophobicContact CD2-CG 4.21Å; W318-K322 HydrophobicContact CE3-CG 4.45Å; W318-K322 HydrophobicContact CG-CD 3.65Å; W318-K322 HydrophobicContact CG-CG 4.18Å; W318-K322 VanDerWaalsContact NE1-NZ 3.14Å; W318-V323 HydrophobicContact CB-CG2 3.81Å; W318-V323 HydrophobicContact CE3-CG2 4.06Å; W318-W326 HydrophobicContact CH2-CG 4.18Å; W318-W326 HydrophobicContact CZ3-CB 3.99Å; W318-W326 AromaticContact CZ3-CD1 3.93Å; W318-W326 AromaticContact CZ3-CD2 3.8Å; W318-W326 HydrophobicContact CZ3-CD2 3.8Å; W318-W326 HydrophobicContact CZ3-CE3 4.29Å; W318-W326 AromaticContact CZ3-CG 3.62Å; W318-W326 HydrophobicContact CZ3-CG 3.62Å; W318-G345 PolarHBondContact O-N 3.37Å; W318-L387 HydrophobicContact CH2-CD2 3.64Å; W318-L387 HydrophobicContact CZ2-CD2 4.34Å; W318-L387 HydrophobicContact CZ3-CD2 4.21Å
319S93.2Very high90.7Very high67 Ų6768.2 Ų68.247%0.46936%0.359SS..  trans-69.9160.9171.165.80000111.5N317 C321 K322 V323N317-S319 PolarHBondContact O-N 3.13Å; S319-C321 PolarHBondContact O-N 2.88Å; S319-K322 WeakPolarHBondContact O-CB 3.35Å; S319-K322 PolarHBondContact O-N 2.84Å; S319-K322 PolarHBondContact OG-N 2.87Å; S319-V323 PolarHBondContact O-N 3.31Å
320T92.4Very high91.5Very high55 Ų5566.8 Ų66.834%0.33735%0.349SS..Hα-helixtrans-52.9-39.6175-45.20000112.5K322 A324 I343T320-K322 PolarHBondContact O-N 3.14Å; T320-A324 VanDerWaalsContact O-CB 3.26Å; T320-A324 WeakPolarHBondContact O-CB 3.49Å; T320-A324 PolarHBondContact O-N 3.04Å; T320-I343 WeakPolarHBondContact CA-O 3.49Å
321C93.1Very high91.9Very high97 Ų9768.7 Ų68.766%0.65537%0.369SS*.Hα-helixtrans-65-39.2177.1-60.20000112.6S319 S325S319-C321 PolarHBondContact O-N 2.88Å; C321-S325 WeakPolarHBondContact O-CB 3.36Å; C321-S325 PolarHBondContact O-N 3.09Å; C321-S325 PolarHBondContact O-OG 3.02Å
322K94.5Very high92Very high108 Ų10868.3 Ų68.347%0.4737%0.367SS..Hα-helixtrans-68.4-46.1178.7-174.5174.4179.6-174.60110.8W318 S319 T320 S325 W326W318-K322 HydrophobicContact CB-CB 4.37Å; W318-K322 HydrophobicContact CB-CD 4.05Å; W318-K322 HydrophobicContact CB-CG 4.36Å; W318-K322 HydrophobicContact CD2-CD 3.98Å; W318-K322 HydrophobicContact CD2-CG 4.21Å; W318-K322 HydrophobicContact CE3-CG 4.45Å; W318-K322 HydrophobicContact CG-CD 3.65Å; W318-K322 HydrophobicContact CG-CG 4.18Å; W318-K322 VanDerWaalsContact NE1-NZ 3.14Å; S319-K322 WeakPolarHBondContact O-CB 3.35Å; S319-K322 PolarHBondContact O-N 2.84Å; S319-K322 PolarHBondContact OG-N 2.87Å; T320-K322 PolarHBondContact O-N 3.14Å; K322-S325 PolarHBondContact O-N 2.88Å; K322-W326 WeakPolarHBondContact O-CB 3.44Å; K322-W326 PolarHBondContact O-N 3.49Å
323V93.6Very high91.9Very high0 Ų066.5 Ų66.50%037%0.373CS..Hα-helixtrans-62.1-43.3175.6175.70000111.2W318 S319 S325 W326 L327 I343 L348W318-V323 HydrophobicContact CB-CG2 3.81Å; W318-V323 HydrophobicContact CE3-CG2 4.06Å; S319-V323 PolarHBondContact O-N 3.31Å; V323-S325 VanDerWaalsContact C-N 3.33Å; V323-S325 PolarHBondContact O-N 3.45Å; V323-W326 HydrophobicContact CG1-CE3 4.45Å; V323-W326 PolarHBondContact O-N 3.46Å; V323-L327 HydrophobicContact CG1-CD1 3.93Å; V323-L327 HydrophobicContact CG1-CG 4.31Å; V323-L327 WeakPolarHBondContact O-CB 3.11Å; V323-L327 WeakPolarHBondContact O-CG 3.47Å; V323-L327 PolarHBondContact O-N 2.91Å; V323-I343 WeakPolarHBondContact CB-O 3.17Å; V323-I343 HydrophobicContact CG1-CB 4.03Å; V323-I343 HydrophobicContact CG1-CG2 3.93Å; V323-I343 VanDerWaalsContact CG1-O 3.27Å; V323-I343 WeakPolarHBondContact CG1-O 3.44Å; V323-L348 HydrophobicContact CG1-CD2 4.33Å
324A91.5Very high91.8Very high30 Ų3065 Ų6525%0.24836%0.357CS..Hα-helixtrans-61.7-40.9177.400000112.4T320 K328 P336T320-A324 VanDerWaalsContact O-CB 3.26Å; T320-A324 WeakPolarHBondContact O-CB 3.49Å; T320-A324 PolarHBondContact O-N 3.04Å; A324-K328 VanDerWaalsContact O-CB 3.3Å; A324-K328 WeakPolarHBondContact O-CB 2.89Å; A324-K328 PolarHBondContact O-N 3.42Å; A324-P336 HydrophobicContact CB-CB 3.97Å; A324-P336 HydrophobicContact CB-CG 3.77Å
325S93.6Very high91.5Very high81 Ų8161.7 Ų61.757%0.56633%0.334SS*.Hα-helixtrans-65.7-41.3175.6-58.20000111.8C321 K322 V323 K328 F329C321-S325 WeakPolarHBondContact O-CB 3.36Å; C321-S325 PolarHBondContact O-N 3.09Å; C321-S325 PolarHBondContact O-OG 3.02Å; K322-S325 PolarHBondContact O-N 2.88Å; V323-S325 VanDerWaalsContact C-N 3.33Å; V323-S325 PolarHBondContact O-N 3.45Å; S325-K328 PolarHBondContact O-N 3.48Å; S325-F329 PolarHBondContact O-N 3.26Å
326W94.8Very high90.7Very high30 Ų3062.9 Ų62.911%0.11434%0.342CS..Hα-helixtrans-64-47.8175.6171.278.5000112.1W318 K322 V323 K328 F329 R330 L348 A383 L387W318-W326 HydrophobicContact CH2-CG 4.18Å; W318-W326 HydrophobicContact CZ3-CB 3.99Å; W318-W326 AromaticContact CZ3-CD1 3.93Å; W318-W326 AromaticContact CZ3-CD2 3.8Å; W318-W326 HydrophobicContact CZ3-CD2 3.8Å; W318-W326 HydrophobicContact CZ3-CE3 4.29Å; W318-W326 AromaticContact CZ3-CG 3.62Å; W318-W326 HydrophobicContact CZ3-CG 3.62Å; K322-W326 WeakPolarHBondContact O-CB 3.44Å; K322-W326 PolarHBondContact O-N 3.49Å; V323-W326 HydrophobicContact CG1-CE3 4.45Å; V323-W326 PolarHBondContact O-N 3.46Å; W326-K328 VanDerWaalsContact C-N 3.33Å; W326-K328 PolarHBondContact O-N 3.4Å; W326-F329 WeakPolarHBondContact O-CB 3.5Å; W326-F329 PolarHBondContact O-N 2.88Å; W326-F329 VanDerWaalsContact O-N 3.11Å; W326-R330 WeakPolarHBondContact O-CG 3.27Å; W326-R330 PolarHBondContact O-N 3.39Å; W326-R330 VanDerWaalsContact O-N 3.1Å; W326-L348 HydrophobicContact CE3-CD2 4.05Å; W326-L348 HydrophobicContact CH2-CD1 4.43Å; W326-L348 HydrophobicContact CH2-CD2 4.09Å; W326-L348 HydrophobicContact CZ3-CD1 3.99Å; W326-L348 HydrophobicContact CZ3-CD2 3.57Å; W326-L348 HydrophobicContact CZ3-CG 4.43Å; W326-A383 HydrophobicContact CH2-CB 3.61Å; W326-A383 HydrophobicContact CZ2-CB 3.69Å; W326-A383 VanDerWaalsContact CZ2-O 3.25Å; W326-A383 WeakPolarHBondContact CZ2-O 3.28Å; W326-L387 HydrophobicContact CH2-CD1 3.56Å; W326-L387 HydrophobicContact CH2-CG 4.26Å; W326-L387 HydrophobicContact CZ2-CD1 3.55Å; W326-L387 HydrophobicContact CZ2-CD2 4.14Å; W326-L387 HydrophobicContact CZ2-CG 3.77Å; W326-L387 HydrophobicContact CZ3-CD1 4.25Å
327L92.7Very high89.8Confident0 Ų063 Ų630%036%0.357CS..Hα-helixtrans-60.8-41.6174.9-76.2172.2000111.7V323 F329 R330 G331 L332 V335 P336 I343 F380V323-L327 HydrophobicContact CG1-CD1 3.93Å; V323-L327 HydrophobicContact CG1-CG 4.31Å; V323-L327 WeakPolarHBondContact O-CB 3.11Å; V323-L327 WeakPolarHBondContact O-CG 3.47Å; V323-L327 PolarHBondContact O-N 2.91Å; L327-F329 VanDerWaalsContact C-N 3.29Å; L327-F329 PolarHBondContact O-N 3.48Å; L327-R330 CarbonylContact O-C 3.58Å; L327-R330 PolarHBondContact O-N 2.95Å; L327-G331 PolarHBondContact O-N 2.9Å; L327-L332 HydrophobicContact CB-CB 4.14Å; L327-L332 HydrophobicContact CD2-CB 3.97Å; L327-L332 HydrophobicContact CD2-CD1 3.92Å; L327-L332 CarbonylContact O-C 3.58Å; L327-L332 WeakPolarHBondContact O-CA 3.37Å; L327-L332 WeakPolarHBondContact O-CB 3.34Å; L327-L332 PolarHBondContact O-N 3.35Å; L327-V335 HydrophobicContact CD1-CB 4.43Å; L327-P336 HydrophobicContact CB-CG 4.42Å; L327-P336 HydrophobicContact CD1-CG 3.93Å; L327-I343 HydrophobicContact CD1-CD1 4.05Å; L327-F380 HydrophobicContact CD2-CD2 4.14Å; L327-F380 HydrophobicContact CD2-CE2 4.02Å
328K92.1Very high88.7Confident156 Ų15660.4 Ų60.468%0.67834%0.34SS*.Hα-helixtrans-57.9-42.3174.2-175.6179.5179.1-179.20111.6A324 S325 W326 R330 G331A324-K328 VanDerWaalsContact O-CB 3.3Å; A324-K328 WeakPolarHBondContact O-CB 2.89Å; A324-K328 PolarHBondContact O-N 3.42Å; S325-K328 PolarHBondContact O-N 3.48Å; W326-K328 VanDerWaalsContact C-N 3.33Å; W326-K328 PolarHBondContact O-N 3.4Å; K328-R330 VanDerWaalsContact C-N 3.25Å; K328-R330 PolarHBondContact O-N 2.89Å; K328-G331 PolarHBondContact O-N 3.31Å
329F93Very high87.5Confident159 Ų15960.6 Ų60.670%0.69734%0.344SS*.Hα-helixtrans-65.5-26.9176.7-170-105.7000113.1S325 W326 L327 G331S325-F329 PolarHBondContact O-N 3.26Å; W326-F329 WeakPolarHBondContact O-CB 3.5Å; W326-F329 PolarHBondContact O-N 2.88Å; W326-F329 VanDerWaalsContact O-N 3.11Å; L327-F329 VanDerWaalsContact C-N 3.29Å; L327-F329 PolarHBondContact O-N 3.48Å; F329-G331 VanDerWaalsContact C-N 3.33Å
330R90.9Very high86Confident84 Ų8462.4 Ų62.432%0.31736%0.363SS..THydrogen-bonded Turntrans-88.710.1174.8-60.5-60.4179.3-137.83.5114.6W326 L327 K328 L332 A383 E386W326-R330 WeakPolarHBondContact O-CG 3.27Å; W326-R330 PolarHBondContact O-N 3.39Å; W326-R330 VanDerWaalsContact O-N 3.1Å; L327-R330 CarbonylContact O-C 3.58Å; L327-R330 PolarHBondContact O-N 2.95Å; K328-R330 VanDerWaalsContact C-N 3.25Å; K328-R330 PolarHBondContact O-N 2.89Å; R330-L332 VanDerWaalsContact C-N 3.29Å; R330-L332 HydrophobicContact CB-CD1 4.37Å; R330-L332 PolarHBondContact O-N 2.75Å; R330-A383 HydrophobicContact CB-CB 4.33Å; R330-A383 HydrophobicContact CG-CB 4.12Å; R330-E386 IonicContact CZ-OE1 3.78Å; R330-E386 IonicContact CZ-OE2 3.2Å; R330-E386 IonicContact NE-OE1 3.17Å; R330-E386 PolarHBondContact NE-OE1 3.18Å; R330-E386 IonicContact NE-OE2 3.79Å; R330-E386 PolarHBondContact NE-OE2 3.33Å; R330-E386 IonicContact NH1-OE1 2.74Å; R330-E386 IonicContact NH2-OE1 3.69Å; R330-E386 PolarHBondContact NH2-OE1 3.26Å; R330-E386 VanDerWaalsContact NH2-OE1 3.17Å; R330-E386 IonicContact NH2-OE2 3.17Å; R330-E386 PolarHBondContact NH2-OE2 3.45Å
331G90.4Very high85Confident47 Ų4763.2 Ų63.249%0.48538%0.382SS..THydrogen-bonded Turntrans77.113.6-178.900000114.3L327 K328 F329L327-G331 PolarHBondContact O-N 2.9Å; K328-G331 PolarHBondContact O-N 3.31Å; F329-G331 VanDerWaalsContact C-N 3.33Å
332L90.1Very high84.4Confident0 Ų059.4 Ų59.40%036%0.359CS..  trans-110.630.5-178-66.1163.1000111.6L327 R330 H334 V335 P336 D376 R379 F380 A383L327-L332 HydrophobicContact CB-CB 4.14Å; L327-L332 HydrophobicContact CD2-CB 3.97Å; L327-L332 HydrophobicContact CD2-CD1 3.92Å; L327-L332 CarbonylContact O-C 3.58Å; L327-L332 WeakPolarHBondContact O-CA 3.37Å; L327-L332 WeakPolarHBondContact O-CB 3.34Å; L327-L332 PolarHBondContact O-N 3.35Å; R330-L332 VanDerWaalsContact C-N 3.29Å; R330-L332 HydrophobicContact CB-CD1 4.37Å; R330-L332 PolarHBondContact O-N 2.75Å; L332-H334 PolarHBondContact O-N 3.08Å; L332-H334 VanDerWaalsContact O-N 3.11Å; L332-V335 HydrophobicContact CB-CG2 3.86Å; L332-V335 HydrophobicContact CD2-CG2 4.06Å; L332-V335 WeakPolarHBondContact O-CB 3.43Å; L332-V335 WeakPolarHBondContact O-CG2 3.48Å; L332-V335 PolarHBondContact O-N 3.11Å; L332-V335 VanDerWaalsContact O-N 3.09Å; L332-P336 WeakPolarHBondContact O-CD 3.05Å; L332-D376 HydrophobicContact CD2-CB 3.9Å; L332-R379 HydrophobicContact CD1-CB 4.2Å; L332-R379 HydrophobicContact CD2-CB 4.14Å; L332-R379 HydrophobicContact CG-CB 4.27Å; L332-F380 HydrophobicContact CD1-CB 4.06Å; L332-F380 HydrophobicContact CD1-CD2 4.03Å; L332-A383 HydrophobicContact CD1-CB 4.43Å
333G85.3Confident84.1Confident39 Ų3954.3 Ų54.340%0.40234%0.337SS..THydrogen-bonded Turntrans-63.5-17.4-175.300000115.2
334H84.2Confident84Confident64 Ų6457.2 Ų57.230%0.29635%0.353SS..THydrogen-bonded Turntrans-83.1-15.1177.162.8-91.4000113.4L332 S337 D376L332-H334 PolarHBondContact O-N 3.08Å; L332-H334 VanDerWaalsContact O-N 3.11Å; H334-S337 PolarHBondContact O-N 3.37Å; H334-S337 PolarHBondContact O-OG 3.19Å; H334-D376 IonicContact CE1-OD1 3.1Å; H334-D376 IonicContact CE1-OD2 3.7Å; H334-D376 IonicContact NE2-OD2 3.37Å
335V83.3Confident84.1Confident0 Ų055.8 Ų55.80%034%0.341CS..Hα-helixtrans-68.9-46.8-175.4-176.40000112.4L327 L332 S337 Q338 I343 L370 L372L327-V335 HydrophobicContact CD1-CB 4.43Å; L332-V335 HydrophobicContact CB-CG2 3.86Å; L332-V335 HydrophobicContact CD2-CG2 4.06Å; L332-V335 WeakPolarHBondContact O-CB 3.43Å; L332-V335 WeakPolarHBondContact O-CG2 3.48Å; L332-V335 PolarHBondContact O-N 3.11Å; L332-V335 VanDerWaalsContact O-N 3.09Å; V335-S337 PolarHBondContact O-N 3.34Å; V335-S337 VanDerWaalsContact O-N 3.13Å; V335-Q338 PolarHBondContact O-N 3.11Å; V335-I343 HydrophobicContact CG1-CD1 3.76Å; V335-L370 HydrophobicContact CG1-CD2 3.48Å; V335-L370 VanDerWaalsContact CG1-CD2 3.48Å; V335-L372 HydrophobicContact CG2-CD2 3.49Å; V335-L372 VanDerWaalsContact CG2-CD2 3.49Å
336P74Confident84Confident25 Ų2555 Ų5516%0.16233%0.332CS..Hα-helixtrans-59.9-26.7177.6-2334000113.7A324 L327 L332A324-P336 HydrophobicContact CB-CB 3.97Å; A324-P336 HydrophobicContact CB-CG 3.77Å; L327-P336 HydrophobicContact CB-CG 4.42Å; L327-P336 HydrophobicContact CD1-CG 3.93Å; L332-P336 WeakPolarHBondContact O-CD 3.05Å
337S73.6Confident83.7Confident98 Ų9856.8 Ų56.869%0.68534%0.344SS*.Hα-helixtrans-78-16.8177.642.80000114.4H334 V335H334-S337 PolarHBondContact O-N 3.37Å; H334-S337 PolarHBondContact O-OG 3.19Å; V335-S337 PolarHBondContact O-N 3.34Å; V335-S337 VanDerWaalsContact O-N 3.13Å
338Q71.1Confident83.7Confident89 Ų8956.8 Ų56.842%0.41634%0.344SS..Hα-helixtrans-84.7-21.8179.9-72.8166.2-35.100112.7V335 L370V335-Q338 PolarHBondContact O-N 3.11Å; Q338-L370 PolarHBondContact OE1-O 3.07Å
339I70.4Confident83.6Confident44 Ų4449.6 Ų49.623%0.22631%0.313CS..SBendtrans-104.6120.4-179.3-66.2173.7000110.2G341 G342 I343 L370I339-G341 PolarHBondContact O-N 3.12Å; I339-G342 PolarHBondContact O-N 3.33Å; I339-I343 HydrophobicContact CD1-CD1 3.92Å; I339-I343 HydrophobicContact CD1-CG1 3.79Å; I339-L370 HydrophobicContact CD1-CD2 3.25Å; I339-L370 HydrophobicContact CD1-CG 4.01Å; I339-L370 HydrophobicContact CG1-CD2 4.2Å
340A61.9Low83.4Confident104 Ų10446.2 Ų46.286%0.8630%0.299SS*.THydrogen-bonded Turntrans-60.8121.617000000110.2
341G70.7Confident83.4Confident73 Ų7343 Ų4375%0.75329%0.289SS*.THydrogen-bonded Turntrans94.8-12-17500000114.8I339I339-G341 PolarHBondContact O-N 3.12Å
342G81.5Confident83.4Confident16 Ų1640.8 Ų40.817%0.16527%0.266CS..  trans70.7-179.1-178.900000114I339I339-G342 PolarHBondContact O-N 3.33Å
343I88.2Confident83.3Confident1 Ų141 Ų411%0.00527%0.267CS..  trans-107.1121.2178.4-54.5175.3000108.2T320 V323 L327 V335 I339 L347 L348 L370T320-I343 WeakPolarHBondContact CA-O 3.49Å; V323-I343 WeakPolarHBondContact CB-O 3.17Å; V323-I343 HydrophobicContact CG1-CB 4.03Å; V323-I343 HydrophobicContact CG1-CG2 3.93Å; V323-I343 VanDerWaalsContact CG1-O 3.27Å; V323-I343 WeakPolarHBondContact CG1-O 3.44Å; L327-I343 HydrophobicContact CD1-CD1 4.05Å; V335-I343 HydrophobicContact CG1-CD1 3.76Å; I339-I343 HydrophobicContact CD1-CD1 3.92Å; I339-I343 HydrophobicContact CD1-CG1 3.79Å; I343-L347 HydrophobicContact CB-CD2 4.49Å; I343-L347 HydrophobicContact CG1-CD2 4.36Å; I343-L347 HydrophobicContact CG2-CB 4.26Å; I343-L347 HydrophobicContact CG2-CD2 4.23Å; I343-L347 HydrophobicContact CG2-CG 4.31Å; I343-L348 HydrophobicContact CG2-CB 4.23Å; I343-L370 HydrophobicContact CD1-CD2 4.01Å
344D91.5Very high83.4Confident62 Ų6240.8 Ų40.833%0.33226%0.257SS..  trans-99.7177.1170.973.4-1.1000111.6V346 L347 L348D344-V346 VanDerWaalsContact C-N 3.25Å; D344-V346 PolarHBondContact O-N 3.02Å; D344-V346 PolarHBondContact OD1-N 2.91Å; D344-L347 PolarHBondContact O-N 2.83Å; D344-L347 WeakPolarHBondContact OD1-CB 3.48Å; D344-L347 PolarHBondContact OD1-N 3.08Å; D344-L348 WeakPolarHBondContact O-CB 3.37Å; D344-L348 PolarHBondContact O-N 3.28Å
345G92.3Very high83.6Confident0 Ų040.3 Ų40.30%025%0.253CS..Hα-helixtrans-62.9-31.2-178.500000113.8V315 W318 S349V315-G345 WeakPolarHBondContact O-CA 3.39Å; W318-G345 PolarHBondContact O-N 3.37Å; G345-S349 WeakPolarHBondContact O-CB 3.39Å; G345-S349 PolarHBondContact O-N 3.35Å
346V91Very high83.6Confident64 Ų6442.8 Ų42.839%0.38827%0.265SS..Hα-helixtrans-68.6-51.9177.4179.30000109.5D344 L348 S349 Q350D344-V346 VanDerWaalsContact C-N 3.25Å; D344-V346 PolarHBondContact O-N 3.02Å; D344-V346 PolarHBondContact OD1-N 2.91Å; V346-L348 VanDerWaalsContact C-N 3.3Å; V346-L348 PolarHBondContact O-N 2.99Å; V346-S349 WeakPolarHBondContact O-CB 3.43Å; V346-S349 PolarHBondContact O-N 2.59Å; V346-S349 VanDerWaalsContact O-N 3.12Å; V346-S349 PolarHBondContact O-OG 3.46Å; V346-Q350 WeakPolarHBondContact O-CG 3.44Å; V346-Q350 PolarHBondContact O-N 3.49Å
347L90.2Very high83.9Confident68 Ų6848.4 Ų48.436%0.35628%0.283SS..Hα-helixtrans-60.7-40.7178.8-175.359.2000111.7I343 D344 S349 Q350 L351I343-L347 HydrophobicContact CB-CD2 4.49Å; I343-L347 HydrophobicContact CG1-CD2 4.36Å; I343-L347 HydrophobicContact CG2-CB 4.26Å; I343-L347 HydrophobicContact CG2-CD2 4.23Å; I343-L347 HydrophobicContact CG2-CG 4.31Å; D344-L347 PolarHBondContact O-N 2.83Å; D344-L347 WeakPolarHBondContact OD1-CB 3.48Å; D344-L347 PolarHBondContact OD1-N 3.08Å; L347-S349 VanDerWaalsContact C-N 3.32Å; L347-S349 PolarHBondContact O-N 3.47Å; L347-Q350 PolarHBondContact O-N 3.15Å; L347-Q350 VanDerWaalsContact O-N 3.16Å; L347-L351 WeakPolarHBondContact O-CG 3.32Å; L347-L351 PolarHBondContact O-N 3.12Å
348L91.7Very high84.3Confident0 Ų044.7 Ų44.70%026%0.258CS..Hα-helixtrans-60.7-41.7175.3-169.763.5000112V315 V323 W326 I343 D344 V346 Q350 L351 A352 F380 L384 L387V315-L348 HydrophobicContact CG1-CD2 3.97Å; V323-L348 HydrophobicContact CG1-CD2 4.33Å; W326-L348 HydrophobicContact CE3-CD2 4.05Å; W326-L348 HydrophobicContact CH2-CD1 4.43Å; W326-L348 HydrophobicContact CH2-CD2 4.09Å; W326-L348 HydrophobicContact CZ3-CD1 3.99Å; W326-L348 HydrophobicContact CZ3-CD2 3.57Å; W326-L348 HydrophobicContact CZ3-CG 4.43Å; I343-L348 HydrophobicContact CG2-CB 4.23Å; D344-L348 WeakPolarHBondContact O-CB 3.37Å; D344-L348 PolarHBondContact O-N 3.28Å; V346-L348 VanDerWaalsContact C-N 3.3Å; V346-L348 PolarHBondContact O-N 2.99Å; L348-Q350 VanDerWaalsContact C-N 3.32Å; L348-Q350 PolarHBondContact O-N 3.32Å; L348-L351 PolarHBondContact O-N 3.01Å; L348-A352 PolarHBondContact O-N 3.4Å; L348-F380 HydrophobicContact CD1-CE2 4.37Å; L348-F380 HydrophobicContact CD1-CZ 4Å; L348-L384 HydrophobicContact CD1-CD2 3.63Å; L348-L384 HydrophobicContact CG-CD2 4.14Å; L348-L387 HydrophobicContact CD2-CD1 3.56Å; L348-L387 HydrophobicContact CG-CD1 4.21Å
349S90.3Very high85Confident5 Ų542.8 Ų42.84%0.03525%0.254CS..Hα-helixtrans-64.4-35.7174.8810000113.2R316 G345 V346 L347 A352 G353R316-S349 PolarHBondContact NE-OG 2.85Å; R316-S349 PolarHBondContact NH2-OG 3.26Å; G345-S349 WeakPolarHBondContact O-CB 3.39Å; G345-S349 PolarHBondContact O-N 3.35Å; V346-S349 WeakPolarHBondContact O-CB 3.43Å; V346-S349 PolarHBondContact O-N 2.59Å; V346-S349 VanDerWaalsContact O-N 3.12Å; V346-S349 PolarHBondContact O-OG 3.46Å; L347-S349 VanDerWaalsContact C-N 3.32Å; L347-S349 PolarHBondContact O-N 3.47Å; S349-A352 PolarHBondContact O-N 3.19Å; S349-G353 PolarHBondContact O-N 2.66Å
350Q89.6Confident85.6Confident87 Ų8743.9 Ų43.941%0.40726%0.258SS..Hα-helixtrans-69.8-41.4176.2-64.1-65.1-12.300111.2V346 L347 L348 A352 G353 L354V346-Q350 WeakPolarHBondContact O-CG 3.44Å; V346-Q350 PolarHBondContact O-N 3.49Å; L347-Q350 PolarHBondContact O-N 3.15Å; L347-Q350 VanDerWaalsContact O-N 3.16Å; L348-Q350 VanDerWaalsContact C-N 3.32Å; L348-Q350 PolarHBondContact O-N 3.32Å; Q350-A352 VanDerWaalsContact C-N 3.33Å; Q350-A352 PolarHBondContact O-N 2.99Å; Q350-G353 PolarHBondContact O-N 2.98Å; Q350-L354 WeakPolarHBondContact O-CB 3.39Å; Q350-L354 PolarHBondContact O-N 2.73Å
351L90Very high86.8Confident18 Ų1844.8 Ų44.89%0.09424%0.24CC..Hα-helixtrans-60.3-42174.3-74.7171.5000111.8L347 L348 L354 R355 F362 F380L347-L351 WeakPolarHBondContact O-CG 3.32Å; L347-L351 PolarHBondContact O-N 3.12Å; L348-L351 PolarHBondContact O-N 3.01Å; L351-L354 WeakPolarHBondContact O-CB 3.34Å; L351-L354 PolarHBondContact O-N 3.11Å; L351-R355 PolarHBondContact O-N 3.1Å; L351-R355 VanDerWaalsContact O-N 3.1Å; L351-F362 HydrophobicContact CB-CE2 4.4Å; L351-F362 VanDerWaalsContact O-CD2 3.32Å; L351-F362 WeakPolarHBondContact O-CD2 3.38Å; L351-F362 WeakPolarHBondContact O-CE2 3.33Å; L351-F380 HydrophobicContact CD1-CE1 4.38Å; L351-F380 HydrophobicContact CD1-CZ 3.89Å
352A90.3Very high87.8Confident0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-64.3-41.5174.500000112.6A310 I311 L348 S349 Q350 L354 R355 L384A310-A352 HydrophobicContact CB-CB 3.83Å; I311-A352 HydrophobicContact CG1-CB 4.39Å; I311-A352 HydrophobicContact CG2-CB 3.53Å; L348-A352 PolarHBondContact O-N 3.4Å; S349-A352 PolarHBondContact O-N 3.19Å; Q350-A352 VanDerWaalsContact C-N 3.33Å; Q350-A352 PolarHBondContact O-N 2.99Å; A352-L354 VanDerWaalsContact C-N 3.32Å; A352-L354 PolarHBondContact O-N 3.48Å; A352-R355 WeakPolarHBondContact O-CB 3.35Å; A352-R355 PolarHBondContact O-N 3.07Å; A352-L384 HydrophobicContact CB-CD1 4.5Å; A352-L384 HydrophobicContact CB-CD2 4.18Å
353G87.6Confident88Confident3 Ų344.1 Ų44.13%0.03122%0.218CC..Hα-helixtrans-63.2-39.4173.800000112.4S349 Q350 R355 I356 W357S349-G353 PolarHBondContact O-N 2.66Å; Q350-G353 PolarHBondContact O-N 2.98Å; G353-R355 VanDerWaalsContact C-N 3.3Å; G353-R355 PolarHBondContact O-N 2.95Å; G353-I356 PolarHBondContact O-N 3.42Å; G353-W357 PolarHBondContact O-N 3.4Å
354L87.8Confident88Confident36 Ų3649.2 Ų49.219%0.18824%0.242CC..Hα-helixtrans-62-37.8178.5-163.366.9000111.8Q350 L351 A352 I356 W357 A358 Y361 F362Q350-L354 WeakPolarHBondContact O-CB 3.39Å; Q350-L354 PolarHBondContact O-N 2.73Å; L351-L354 WeakPolarHBondContact O-CB 3.34Å; L351-L354 PolarHBondContact O-N 3.11Å; A352-L354 VanDerWaalsContact C-N 3.32Å; A352-L354 PolarHBondContact O-N 3.48Å; L354-I356 PolarHBondContact O-N 3.08Å; L354-W357 PolarHBondContact O-N 2.96Å; L354-A358 HydrophobicContact CD1-CB 4.12Å; L354-A358 CarbonylContact O-C 3.47Å; L354-A358 WeakPolarHBondContact O-CA 3.34Å; L354-A358 PolarHBondContact O-N 3.32Å; L354-Y361 HydrophobicContact CD1-CD1 3.97Å; L354-Y361 HydrophobicContact CD1-CE1 4.45Å; L354-Y361 HydrophobicContact CD2-CD1 3.75Å; L354-Y361 HydrophobicContact CD2-CE1 3.99Å; L354-Y361 HydrophobicContact CG-CD1 4.18Å; L354-F362 HydrophobicContact CB-CB 4.48Å; L354-F362 HydrophobicContact CB-CD2 4.4Å; L354-F362 HydrophobicContact CD2-CB 4.28Å; L354-F362 HydrophobicContact CG-CB 4.15Å
355R88.2Confident87.8Confident54 Ų5446.5 Ų46.520%0.20423%0.227CC..Hα-helixtrans-54.3-35.8172.5-176.7179.773.91532.7112.6L351 A352 G353 P359 F362 L381 D385L351-R355 PolarHBondContact O-N 3.1Å; L351-R355 VanDerWaalsContact O-N 3.1Å; A352-R355 WeakPolarHBondContact O-CB 3.35Å; A352-R355 PolarHBondContact O-N 3.07Å; G353-R355 VanDerWaalsContact C-N 3.3Å; G353-R355 PolarHBondContact O-N 2.95Å; R355-P359 WeakPolarHBondContact O-CB 3.43Å; R355-F362 HydrophobicContact CB-CD1 4.14Å; R355-F362 HydrophobicContact CB-CD2 4.1Å; R355-F362 HydrophobicContact CB-CE1 4.29Å; R355-F362 HydrophobicContact CB-CE2 4.23Å; R355-F362 HydrophobicContact CB-CG 4.04Å; R355-F362 HydrophobicContact CB-CZ 4.33Å; R355-F362 HydrophobicContact CG-CD1 4.21Å; R355-F362 HydrophobicContact CG-CE1 4.2Å; R355-L381 HydrophobicContact CG-CD2 4.37Å; R355-D385 IonicContact CZ-OD1 3.57Å; R355-D385 IonicContact NH1-OD1 2.76Å; R355-D385 PolarHBondContact NH1-OD1 2.95Å; R355-D385 IonicContact NH1-OD2 3.49Å; R355-D385 PolarHBondContact NH1-OD2 3.42Å; R355-D385 VanDerWaalsContact NH1-OD2 3.13Å; R355-D385 IonicContact NH2-OD1 2.76Å; R355-D385 PolarHBondContact NH2-OD1 2.91Å
356I83.6Confident87.7Confident51 Ų5146.6 Ų46.626%0.26223%0.228SC..Hα-helixtrans-84.3-43.3-178.2-58.9-179.9000111.2A310 G353 L354A310-I356 HydrophobicContact CB-CD1 3.61Å; A310-I356 HydrophobicContact CB-CG1 4.5Å; G353-I356 PolarHBondContact O-N 3.42Å; L354-I356 PolarHBondContact O-N 3.08Å
357W79.7Confident87.4Confident144 Ų14452.2 Ų52.255%0.54524%0.242SC..Hα-helixtrans-84.9-34.4-172.6-175.176.6000113.7R137 G353 L354R137-W357 PolarHBondContact NH1-O 2.92Å; G353-W357 PolarHBondContact O-N 3.4Å; L354-W357 PolarHBondContact O-N 2.96Å
358A83.1Confident87.2Confident19 Ų1952.1 Ų52.116%0.15725%0.247CC..  trans-144.468.7-17800000111.6L354 E360 Y361 F362L354-A358 HydrophobicContact CD1-CB 4.12Å; L354-A358 CarbonylContact O-C 3.47Å; L354-A358 WeakPolarHBondContact O-CA 3.34Å; L354-A358 PolarHBondContact O-N 3.32Å; A358-E360 VanDerWaalsContact C-N 3.28Å; A358-E360 PolarHBondContact O-N 3.14Å; A358-Y361 PolarHBondContact O-N 2.88Å; A358-F362 WeakPolarHBondContact O-CB 3.42Å; A358-F362 PolarHBondContact O-N 3.01Å
359P84.8Confident86.8Confident49 Ų4957.9 Ų57.932%0.31827%0.274SS..Hα-helixtrans-58.4-36-173.718-27.6000113.4R355 F362 T363R355-P359 WeakPolarHBondContact O-CB 3.43Å; P359-F362 WeakPolarHBondContact O-CB 3.29Å; P359-F362 PolarHBondContact O-N 3.43Å; P359-T363 WeakPolarHBondContact O-CG2 3.32Å; P359-T363 PolarHBondContact O-N 3Å; P359-T363 PolarHBondContact O-OG1 3.34Å
360E84Confident86.5Confident67 Ų6758 Ų5831%0.31327%0.274SS..Hα-helixtrans-69.1-45.3179-64.383.1175.100111.7R131 A358 F362 T363 H364R131-E360 IonicContact NH1-OE1 3.88Å; R131-E360 PolarHBondContact NH1-OE1 3.48Å; R131-E360 VanDerWaalsContact NH1-OE1 3.1Å; A358-E360 VanDerWaalsContact C-N 3.28Å; A358-E360 PolarHBondContact O-N 3.14Å; E360-F362 VanDerWaalsContact C-N 3.31Å; E360-F362 PolarHBondContact O-N 3.36Å; E360-T363 PolarHBondContact O-N 3.22Å; E360-T363 PolarHBondContact O-OG1 2.9Å; E360-H364 WeakPolarHBondContact O-CB 3.34Å; E360-H364 PolarHBondContact O-N 2.84Å
361Y86.5Confident86.3Confident123 Ų12355.9 Ų55.948%0.48228%0.276SS..Hα-helixtrans-64.1-39.7175.5-178.4-115.3000110.8L354 A358 T363 H364 C365L354-Y361 HydrophobicContact CD1-CD1 3.97Å; L354-Y361 HydrophobicContact CD1-CE1 4.45Å; L354-Y361 HydrophobicContact CD2-CD1 3.75Å; L354-Y361 HydrophobicContact CD2-CE1 3.99Å; L354-Y361 HydrophobicContact CG-CD1 4.18Å; A358-Y361 PolarHBondContact O-N 2.88Å; Y361-T363 PolarHBondContact O-N 3Å; Y361-H364 WeakPolarHBondContact O-CB 3.33Å; Y361-H364 PolarHBondContact O-N 2.89Å; Y361-H364 VanDerWaalsContact O-N 3.15Å; Y361-C365 VanDerWaalsContact CE1-SG 3.52Å; Y361-C365 PolarHBondContact O-N 3.39Å; Y361-C365 PolarHBondContact O-SG 3.42Å
362F90.9Very high86.2Confident3 Ų355.3 Ų55.31%0.01327%0.273CS..Hα-helixtrans-54.6-52171170.7-95.2000111.9L351 L354 R355 A358 P359 E360 H364 C365 L366 F380 L381 L384L351-F362 HydrophobicContact CB-CE2 4.4Å; L351-F362 VanDerWaalsContact O-CD2 3.32Å; L351-F362 WeakPolarHBondContact O-CD2 3.38Å; L351-F362 WeakPolarHBondContact O-CE2 3.33Å; L354-F362 HydrophobicContact CB-CB 4.48Å; L354-F362 HydrophobicContact CB-CD2 4.4Å; L354-F362 HydrophobicContact CD2-CB 4.28Å; L354-F362 HydrophobicContact CG-CB 4.15Å; R355-F362 HydrophobicContact CB-CD1 4.14Å; R355-F362 HydrophobicContact CB-CD2 4.1Å; R355-F362 HydrophobicContact CB-CE1 4.29Å; R355-F362 HydrophobicContact CB-CE2 4.23Å; R355-F362 HydrophobicContact CB-CG 4.04Å; R355-F362 HydrophobicContact CB-CZ 4.33Å; R355-F362 HydrophobicContact CG-CD1 4.21Å; R355-F362 HydrophobicContact CG-CE1 4.2Å; A358-F362 WeakPolarHBondContact O-CB 3.42Å; A358-F362 PolarHBondContact O-N 3.01Å; P359-F362 WeakPolarHBondContact O-CB 3.29Å; P359-F362 PolarHBondContact O-N 3.43Å; E360-F362 VanDerWaalsContact C-N 3.31Å; E360-F362 PolarHBondContact O-N 3.36Å; F362-H364 VanDerWaalsContact C-N 3.26Å; F362-H364 PolarHBondContact O-N 3.03Å; F362-C365 PolarHBondContact O-N 3.4Å; F362-L366 HydrophobicContact CD1-CD1 4.31Å; F362-L366 HydrophobicContact CD1-CG 4.41Å; F362-L366 HydrophobicContact CE1-CD1 3.55Å; F362-L366 HydrophobicContact CE1-CD2 4.36Å; F362-L366 HydrophobicContact CE1-CG 3.98Å; F362-L366 HydrophobicContact CE2-CD2 3.99Å; F362-L366 HydrophobicContact CE2-CG 4.39Å; F362-L366 HydrophobicContact CZ-CD1 3.75Å; F362-L366 HydrophobicContact CZ-CD2 3.85Å; F362-L366 HydrophobicContact CZ-CG 3.98Å; F362-L366 WeakPolarHBondContact O-CG 3.29Å; F362-L366 PolarHBondContact O-N 3.31Å; F362-F380 HydrophobicContact CE2-CE1 4.23Å; F362-F380 HydrophobicContact CZ-CD1 4.16Å; F362-F380 HydrophobicContact CZ-CE1 4.22Å; F362-L381 HydrophobicContact CE1-CD2 3.54Å; F362-L381 HydrophobicContact CE1-CG 4.28Å; F362-L381 HydrophobicContact CZ-CD2 3.99Å; F362-L384 HydrophobicContact CE2-CD1 3.95Å; F362-L384 HydrophobicContact CZ-CD1 3.8Å
363T87.7Confident86.1Confident73 Ų7357 Ų5745%0.44829%0.291SS..Hα-helixtrans-63.9-31.417858.40000113.2P359 E360 Y361 R367P359-T363 WeakPolarHBondContact O-CG2 3.32Å; P359-T363 PolarHBondContact O-N 3Å; P359-T363 PolarHBondContact O-OG1 3.34Å; E360-T363 PolarHBondContact O-N 3.22Å; E360-T363 PolarHBondContact O-OG1 2.9Å; Y361-T363 PolarHBondContact O-N 3Å; T363-R367 WeakPolarHBondContact O-CG 3.26Å; T363-R367 PolarHBondContact O-N 3.27Å
364H86.7Confident86.3Confident108 Ų10864.3 Ų64.350%0.532%0.322SS..Hα-helixtrans-65.8-51.1172.8-179-83.3000110.5E360 Y361 F362 L366 R367 S368E360-H364 WeakPolarHBondContact O-CB 3.34Å; E360-H364 PolarHBondContact O-N 2.84Å; Y361-H364 WeakPolarHBondContact O-CB 3.33Å; Y361-H364 PolarHBondContact O-N 2.89Å; Y361-H364 VanDerWaalsContact O-N 3.15Å; F362-H364 VanDerWaalsContact C-N 3.26Å; F362-H364 PolarHBondContact O-N 3.03Å; H364-L366 VanDerWaalsContact C-N 3.29Å; H364-L366 PolarHBondContact O-N 3.29Å; H364-R367 PolarHBondContact O-N 3.49Å; H364-S368 PolarHBondContact CE1-OG 3.48Å; H364-S368 PolarHBondContact ND1-OG 3.5Å; H364-S368 VanDerWaalsContact ND1-OG 3.13Å; H364-S368 PolarHBondContact O-N 2.79Å; H364-S368 PolarHBondContact O-OG 3.16Å
365C87.3Confident86.5Confident4 Ų465 Ų653%0.02733%0.333CS..Hα-helixtrans-56.3-40.6176.8-68.20000112.4Y361 F362 R367 E369 L370Y361-C365 VanDerWaalsContact CE1-SG 3.52Å; Y361-C365 PolarHBondContact O-N 3.39Å; Y361-C365 PolarHBondContact O-SG 3.42Å; F362-C365 PolarHBondContact O-N 3.4Å; C365-R367 PolarHBondContact O-N 3.1Å; C365-E369 PolarHBondContact O-N 3.02Å; C365-L370 PolarHBondContact O-N 3.14Å
366L89.9Confident86.6Confident2 Ų264 Ų641%0.0133%0.332CS..Hα-helixtrans-55.7-40.6174.8-66.5-166000111.7F362 H364 L370 G371 L372 F380F362-L366 HydrophobicContact CD1-CD1 4.31Å; F362-L366 HydrophobicContact CD1-CG 4.41Å; F362-L366 HydrophobicContact CE1-CD1 3.55Å; F362-L366 HydrophobicContact CE1-CD2 4.36Å; F362-L366 HydrophobicContact CE1-CG 3.98Å; F362-L366 HydrophobicContact CE2-CD2 3.99Å; F362-L366 HydrophobicContact CE2-CG 4.39Å; F362-L366 HydrophobicContact CZ-CD1 3.75Å; F362-L366 HydrophobicContact CZ-CD2 3.85Å; F362-L366 HydrophobicContact CZ-CG 3.98Å; F362-L366 WeakPolarHBondContact O-CG 3.29Å; F362-L366 PolarHBondContact O-N 3.31Å; H364-L366 VanDerWaalsContact C-N 3.29Å; H364-L366 PolarHBondContact O-N 3.29Å; L366-L370 HydrophobicContact CD2-CD1 3.55Å; L366-L370 CarbonylContact O-C 3.54Å; L366-L370 WeakPolarHBondContact O-CB 3.44Å; L366-G371 PolarHBondContact O-N 2.85Å; L366-L372 HydrophobicContact CB-CD1 4.4Å; L366-L372 HydrophobicContact CD2-CD1 4.14Å; L366-L372 VanDerWaalsContact O-CB 3.28Å; L366-L372 WeakPolarHBondContact O-CB 3.12Å; L366-L372 PolarHBondContact O-N 2.88Å; L366-F380 HydrophobicContact CD1-CD1 4.39Å; L366-F380 HydrophobicContact CD2-CD1 3.64Å; L366-F380 HydrophobicContact CD2-CE1 3.83Å; L366-F380 HydrophobicContact CD2-CG 4.42Å
367R86.7Confident87.1Confident182 Ų18262.2 Ų62.269%0.68732%0.324SS*.Hα-helixtrans-87-41.5-175.8-63.7-178.578.9166.84.6113.3T363 H364 C365 G371T363-R367 WeakPolarHBondContact O-CG 3.26Å; T363-R367 PolarHBondContact O-N 3.27Å; H364-R367 PolarHBondContact O-N 3.49Å; C365-R367 PolarHBondContact O-N 3.1Å; R367-G371 WeakPolarHBondContact O-CA 3.49Å
368S84.2Confident87.7Confident67 Ų6759.5 Ų59.547%0.46932%0.32SS..Hα-helixtrans-89-40.2-171.664.10000113.4H364H364-S368 PolarHBondContact CE1-OG 3.48Å; H364-S368 PolarHBondContact ND1-OG 3.5Å; H364-S368 VanDerWaalsContact ND1-OG 3.13Å; H364-S368 PolarHBondContact O-N 2.79Å; H364-S368 PolarHBondContact O-OG 3.16Å
369E83.2Confident88.1Confident121 Ų12164.4 Ų64.457%0.56533%0.334SS*.THydrogen-bonded Turntrans-100.2-45.1-173.3-65.9-179.1-150.400111.4C365 G371C365-E369 PolarHBondContact O-N 3.02Å; E369-G371 VanDerWaalsContact C-N 3.32Å
370L85.2Confident88.5Confident6 Ų662 Ų623%0.03132%0.319CS..SBendtrans-83.2-10175.1-74.1149.3000112.6V335 Q338 I339 I343 C365 L366 L372V335-L370 HydrophobicContact CG1-CD2 3.48Å; V335-L370 VanDerWaalsContact CG1-CD2 3.48Å; Q338-L370 PolarHBondContact OE1-O 3.07Å; I339-L370 HydrophobicContact CD1-CD2 3.25Å; I339-L370 HydrophobicContact CD1-CG 4.01Å; I339-L370 HydrophobicContact CG1-CD2 4.2Å; I343-L370 HydrophobicContact CD1-CD2 4.01Å; C365-L370 PolarHBondContact O-N 3.14Å; L366-L370 HydrophobicContact CD2-CD1 3.55Å; L366-L370 CarbonylContact O-C 3.54Å; L366-L370 WeakPolarHBondContact O-CB 3.44Å; L370-L372 HydrophobicContact CB-CD1 4.25Å; L370-L372 HydrophobicContact CB-CG 3.89Å; L370-L372 PolarHBondContact O-N 3.45Å; L370-L372 VanDerWaalsContact O-N 3.11Å
371G84Confident88.9Confident44 Ų4461 Ų6145%0.45432%0.315SS..  trans60.423.5177.300000114.6L366 R367 E369L366-G371 PolarHBondContact O-N 2.85Å; R367-G371 WeakPolarHBondContact O-CA 3.49Å; E369-G371 VanDerWaalsContact C-N 3.32Å
372L88.7Confident89.1Confident5 Ų561 Ų613%0.02632%0.319CS..  trans-75.9130.9-176.4-61.6-178.7000111.2V335 L366 L370 D376 F380V335-L372 HydrophobicContact CG2-CD2 3.49Å; V335-L372 VanDerWaalsContact CG2-CD2 3.49Å; L366-L372 HydrophobicContact CB-CD1 4.4Å; L366-L372 HydrophobicContact CD2-CD1 4.14Å; L366-L372 VanDerWaalsContact O-CB 3.28Å; L366-L372 WeakPolarHBondContact O-CB 3.12Å; L366-L372 PolarHBondContact O-N 2.88Å; L370-L372 HydrophobicContact CB-CD1 4.25Å; L370-L372 HydrophobicContact CB-CG 3.89Å; L370-L372 PolarHBondContact O-N 3.45Å; L370-L372 VanDerWaalsContact O-N 3.11Å; L372-D376 HydrophobicContact CB-CB 4.13Å; L372-D376 HydrophobicContact CD2-CB 3.92Å; L372-D376 HydrophobicContact CG-CB 4.49Å; L372-F380 HydrophobicContact CD1-CB 4.01Å; L372-F380 HydrophobicContact CD1-CD2 4.41Å; L372-F380 HydrophobicContact CD1-CG 4.16Å
373G88.8Confident89.2Confident37 Ų3761 Ų6138%0.38132%0.32SS..  trans-63.8170.4165.600000111.6A375 D376 S377G373-A375 VanDerWaalsContact C-N 3.33Å; G373-A375 PolarHBondContact O-N 3Å; G373-D376 PolarHBondContact O-N 3.28Å; G373-S377 WeakPolarHBondContact O-CB 3.36Å; G373-S377 PolarHBondContact O-N 3.25Å; G373-S377 PolarHBondContact O-OG 3.18Å
374F90.9Very high89.4Confident156 Ų15657.5 Ų57.568%0.68430%0.298SS*.Hα-helixtrans-57.4-45.6178.6177.3-105.5000112.3S377 L378F374-S377 WeakPolarHBondContact O-CB 3.32Å; F374-S377 PolarHBondContact O-N 2.99Å; F374-L378 HydrophobicContact CD1-CD1 4.27Å; F374-L378 HydrophobicContact CE1-CD1 3.65Å; F374-L378 HydrophobicContact CE1-CG 4.46Å; F374-L378 HydrophobicContact CE2-CD1 4.46Å; F374-L378 HydrophobicContact CZ-CD1 3.76Å; F374-L378 HydrophobicContact CZ-CG 4.33Å; F374-L378 PolarHBondContact O-N 2.98Å; F374-L378 VanDerWaalsContact O-N 3.13Å
375A91.8Very high89.5Confident50 Ų5055.8 Ų55.841%0.41329%0.293SS..Hα-helixtrans-64.4-41.8179.500000112.3G373 S377 L378 R379G373-A375 VanDerWaalsContact C-N 3.33Å; G373-A375 PolarHBondContact O-N 3Å; A375-S377 VanDerWaalsContact C-N 3.35Å; A375-L378 PolarHBondContact O-N 3.27Å; A375-R379 WeakPolarHBondContact O-CG 3.03Å; A375-R379 PolarHBondContact O-N 2.94Å
376D91.9Very high89.6Confident33 Ų3359.2 Ų59.218%0.17631%0.309CS..Hα-helixtrans-70.8-33.4178.5-62.3-42000112.1L332 H334 L372 G373 L378 R379 F380L332-D376 HydrophobicContact CD2-CB 3.9Å; H334-D376 IonicContact CE1-OD1 3.1Å; H334-D376 IonicContact CE1-OD2 3.7Å; H334-D376 IonicContact NE2-OD2 3.37Å; L372-D376 HydrophobicContact CB-CB 4.13Å; L372-D376 HydrophobicContact CD2-CB 3.92Å; L372-D376 HydrophobicContact CG-CB 4.49Å; G373-D376 PolarHBondContact O-N 3.28Å; D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.48Å; D376-R379 PolarHBondContact O-N 3.24Å; D376-R379 IonicContact OD1-CZ 3.35Å; D376-R379 IonicContact OD1-NH1 2.95Å; D376-R379 PolarHBondContact OD1-NH1 3.49Å; D376-F380 WeakPolarHBondContact O-CB 3.33Å; D376-F380 PolarHBondContact O-N 2.73Å
377S92.5Very high89.6Confident14 Ų1459.7 Ų59.710%0.09831%0.311CS..Hα-helixtrans-60.5-40.9172.2-59.20000111.4G373 F374 A375 F380 L381G373-S377 WeakPolarHBondContact O-CB 3.36Å; G373-S377 PolarHBondContact O-N 3.25Å; G373-S377 PolarHBondContact O-OG 3.18Å; F374-S377 WeakPolarHBondContact O-CB 3.32Å; F374-S377 PolarHBondContact O-N 2.99Å; A375-S377 VanDerWaalsContact C-N 3.35Å; S377-F380 PolarHBondContact O-N 2.84Å; S377-L381 WeakPolarHBondContact O-CG 3.44Å; S377-L381 PolarHBondContact O-N 2.9Å
378L92.3Very high89.4Confident87 Ų8752.5 Ų52.546%0.45529%0.291SS..Hα-helixtrans-68-41.1175.2-66.9179000112.2F374 A375 D376 F380 L381 E382F374-L378 HydrophobicContact CD1-CD1 4.27Å; F374-L378 HydrophobicContact CE1-CD1 3.65Å; F374-L378 HydrophobicContact CE1-CG 4.46Å; F374-L378 HydrophobicContact CE2-CD1 4.46Å; F374-L378 HydrophobicContact CZ-CD1 3.76Å; F374-L378 HydrophobicContact CZ-CG 4.33Å; F374-L378 PolarHBondContact O-N 2.98Å; F374-L378 VanDerWaalsContact O-N 3.13Å; A375-L378 PolarHBondContact O-N 3.27Å; D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.48Å; L378-F380 VanDerWaalsContact C-N 3.3Å; L378-F380 PolarHBondContact O-N 3.01Å; L378-L381 HydrophobicContact CD2-CD1 4.34Å; L378-L381 WeakPolarHBondContact O-CB 3.39Å; L378-L381 PolarHBondContact O-N 3.32Å; L378-E382 PolarHBondContact O-N 3.38Å
379R92.4Very high89.2Confident121 Ų12152 Ų5246%0.45729%0.286SS..Hα-helixtrans-63-38.4174.3-69.4179.6-170.11104.2112L332 A375 D376 E382 A383L332-R379 HydrophobicContact CD1-CB 4.2Å; L332-R379 HydrophobicContact CD2-CB 4.14Å; L332-R379 HydrophobicContact CG-CB 4.27Å; A375-R379 WeakPolarHBondContact O-CG 3.03Å; A375-R379 PolarHBondContact O-N 2.94Å; D376-R379 PolarHBondContact O-N 3.24Å; D376-R379 IonicContact OD1-CZ 3.35Å; D376-R379 IonicContact OD1-NH1 2.95Å; D376-R379 PolarHBondContact OD1-NH1 3.49Å; R379-E382 PolarHBondContact O-N 3.01Å; R379-A383 VanDerWaalsContact O-CB 3.28Å; R379-A383 WeakPolarHBondContact O-CB 3.3Å; R379-A383 PolarHBondContact O-N 3.17Å
380F93.7Very high88.6Confident0 Ų051.6 Ų51.60%028%0.284CS..Hα-helixtrans-67.2-40.1177.9-169.5-95.4000110.9L327 L332 L348 L351 F362 L366 L372 D376 S377 L378 A383 L384L327-F380 HydrophobicContact CD2-CD2 4.14Å; L327-F380 HydrophobicContact CD2-CE2 4.02Å; L332-F380 HydrophobicContact CD1-CB 4.06Å; L332-F380 HydrophobicContact CD1-CD2 4.03Å; L348-F380 HydrophobicContact CD1-CE2 4.37Å; L348-F380 HydrophobicContact CD1-CZ 4Å; L351-F380 HydrophobicContact CD1-CE1 4.38Å; L351-F380 HydrophobicContact CD1-CZ 3.89Å; F362-F380 HydrophobicContact CE2-CE1 4.23Å; F362-F380 HydrophobicContact CZ-CD1 4.16Å; F362-F380 HydrophobicContact CZ-CE1 4.22Å; L366-F380 HydrophobicContact CD1-CD1 4.39Å; L366-F380 HydrophobicContact CD2-CD1 3.64Å; L366-F380 HydrophobicContact CD2-CE1 3.83Å; L366-F380 HydrophobicContact CD2-CG 4.42Å; L372-F380 HydrophobicContact CD1-CB 4.01Å; L372-F380 HydrophobicContact CD1-CD2 4.41Å; L372-F380 HydrophobicContact CD1-CG 4.16Å; D376-F380 WeakPolarHBondContact O-CB 3.33Å; D376-F380 PolarHBondContact O-N 2.73Å; S377-F380 PolarHBondContact O-N 2.84Å; L378-F380 VanDerWaalsContact C-N 3.3Å; L378-F380 PolarHBondContact O-N 3.01Å; F380-A383 PolarHBondContact O-N 3.14Å; F380-L384 HydrophobicContact CD1-CD1 3.95Å; F380-L384 HydrophobicContact CD1-CG 4.21Å; F380-L384 HydrophobicContact CE1-CD1 3.61Å; F380-L384 HydrophobicContact CE1-CD2 4.33Å; F380-L384 HydrophobicContact CE1-CG 3.96Å; F380-L384 HydrophobicContact CZ-CD1 4.46Å; F380-L384 HydrophobicContact CZ-CD2 4.42Å; F380-L384 HydrophobicContact CZ-CG 4.46Å; F380-L384 WeakPolarHBondContact O-CG 3.3Å; F380-L384 PolarHBondContact O-N 3.48Å
381L91.7Very high87.3Confident46 Ų4659.6 Ų59.624%0.24133%0.327CS..Hα-helixtrans-59.6-50172.6-79.8169.3000112.1R355 F362 S377 L378 A383 L384 D385R355-L381 HydrophobicContact CG-CD2 4.37Å; F362-L381 HydrophobicContact CE1-CD2 3.54Å; F362-L381 HydrophobicContact CE1-CG 4.28Å; F362-L381 HydrophobicContact CZ-CD2 3.99Å; S377-L381 WeakPolarHBondContact O-CG 3.44Å; S377-L381 PolarHBondContact O-N 2.9Å; L378-L381 HydrophobicContact CD2-CD1 4.34Å; L378-L381 WeakPolarHBondContact O-CB 3.39Å; L378-L381 PolarHBondContact O-N 3.32Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A383 PolarHBondContact O-N 3.33Å; L381-L384 WeakPolarHBondContact O-CB 3.36Å; L381-L384 PolarHBondContact O-N 3.08Å; L381-L384 VanDerWaalsContact O-N 3.14Å; L381-D385 PolarHBondContact O-N 2.96Å
382E91.7Very high85.6Confident122 Ų12260.5 Ų60.557%0.5734%0.336SS*.Hα-helixtrans-59-43.8176.8-173.167.4-164.300111.5L378 R379 L384 D385 E386L378-E382 PolarHBondContact O-N 3.38Å; R379-E382 PolarHBondContact O-N 3.01Å; E382-L384 VanDerWaalsContact C-N 3.3Å; E382-L384 PolarHBondContact O-N 2.89Å; E382-D385 PolarHBondContact O-N 3.26Å; E382-D385 VanDerWaalsContact O-N 3.09Å; E382-E386 PolarHBondContact O-N 2.93Å
383A92.6Very high83.4Confident2 Ų266.2 Ų66.22%0.01737%0.366CS..Hα-helixtrans-61.4-38.6177.100000111.8W326 R330 L332 R379 F380 L381W326-A383 HydrophobicContact CH2-CB 3.61Å; W326-A383 HydrophobicContact CZ2-CB 3.69Å; W326-A383 VanDerWaalsContact CZ2-O 3.25Å; W326-A383 WeakPolarHBondContact CZ2-O 3.28Å; R330-A383 HydrophobicContact CB-CB 4.33Å; R330-A383 HydrophobicContact CG-CB 4.12Å; L332-A383 HydrophobicContact CD1-CB 4.43Å; R379-A383 VanDerWaalsContact O-CB 3.28Å; R379-A383 WeakPolarHBondContact O-CB 3.3Å; R379-A383 PolarHBondContact O-N 3.17Å; F380-A383 PolarHBondContact O-N 3.14Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A383 PolarHBondContact O-N 3.33Å
384L92.1Very high81.2Confident0 Ų070.3 Ų70.30%038%0.384CS..Hα-helixtrans-67.1-34.5173.9-71.8-178.1000112.7L348 A352 F362 F380 L381 E382 L387L348-L384 HydrophobicContact CD1-CD2 3.63Å; L348-L384 HydrophobicContact CG-CD2 4.14Å; A352-L384 HydrophobicContact CB-CD1 4.5Å; A352-L384 HydrophobicContact CB-CD2 4.18Å; F362-L384 HydrophobicContact CE2-CD1 3.95Å; F362-L384 HydrophobicContact CZ-CD1 3.8Å; F380-L384 HydrophobicContact CD1-CD1 3.95Å; F380-L384 HydrophobicContact CD1-CG 4.21Å; F380-L384 HydrophobicContact CE1-CD1 3.61Å; F380-L384 HydrophobicContact CE1-CD2 4.33Å; F380-L384 HydrophobicContact CE1-CG 3.96Å; F380-L384 HydrophobicContact CZ-CD1 4.46Å; F380-L384 HydrophobicContact CZ-CD2 4.42Å; F380-L384 HydrophobicContact CZ-CG 4.46Å; F380-L384 WeakPolarHBondContact O-CG 3.3Å; F380-L384 PolarHBondContact O-N 3.48Å; L381-L384 WeakPolarHBondContact O-CB 3.36Å; L381-L384 PolarHBondContact O-N 3.08Å; L381-L384 VanDerWaalsContact O-N 3.14Å; E382-L384 VanDerWaalsContact C-N 3.3Å; E382-L384 PolarHBondContact O-N 2.89Å; L384-L387 PolarHBondContact O-N 3.41Å
385D87.8Confident78.6Confident73 Ų7370.2 Ų70.239%0.3939%0.386SS..Hα-helixtrans-66.9-35.2178.5-79-37.4000112.8R355 L381 E382 L387 A388R355-D385 IonicContact CZ-OD1 3.57Å; R355-D385 IonicContact NH1-OD1 2.76Å; R355-D385 PolarHBondContact NH1-OD1 2.95Å; R355-D385 IonicContact NH1-OD2 3.49Å; R355-D385 PolarHBondContact NH1-OD2 3.42Å; R355-D385 VanDerWaalsContact NH1-OD2 3.13Å; R355-D385 IonicContact NH2-OD1 2.76Å; R355-D385 PolarHBondContact NH2-OD1 2.91Å; L381-D385 PolarHBondContact O-N 2.96Å; E382-D385 PolarHBondContact O-N 3.26Å; E382-D385 VanDerWaalsContact O-N 3.09Å; D385-L387 PolarHBondContact O-N 3.3Å; D385-A388 WeakPolarHBondContact O-CB 3.49Å; D385-A388 PolarHBondContact O-N 3.34Å
386E88.8Confident76Confident76 Ų7674.3 Ų74.336%0.35540%0.4SS..Hα-helixtrans-63.1-26.5172.8-66.8179.4162.600113.5R312 R330 E382R312-E386 PolarHBondContact NH2-O 3.19Å; R330-E386 IonicContact CZ-OE1 3.78Å; R330-E386 IonicContact CZ-OE2 3.2Å; R330-E386 IonicContact NE-OE1 3.17Å; R330-E386 PolarHBondContact NE-OE1 3.18Å; R330-E386 IonicContact NE-OE2 3.79Å; R330-E386 PolarHBondContact NE-OE2 3.33Å; R330-E386 IonicContact NH1-OE1 2.74Å; R330-E386 IonicContact NH2-OE1 3.69Å; R330-E386 PolarHBondContact NH2-OE1 3.26Å; R330-E386 VanDerWaalsContact NH2-OE1 3.17Å; R330-E386 IonicContact NH2-OE2 3.17Å; R330-E386 PolarHBondContact NH2-OE2 3.45Å; E382-E386 PolarHBondContact O-N 2.93Å
387L89.9Confident73.4Confident11 Ų1178.7 Ų78.76%0.05843%0.428CS..THydrogen-bonded Turntrans-83.2-1.8177.6-61.4179.5000112.4I311 R312 V315 W318 W326 L348 L384 D385I311-L387 CarbonylContact C-O 3.51Å; I311-L387 WeakPolarHBondContact CA-O 3.49Å; I311-L387 HydrophobicContact CB-CB 3.9Å; I311-L387 WeakPolarHBondContact CB-O 3.43Å; I311-L387 HydrophobicContact CG2-CB 3.56Å; R312-L387 WeakPolarHBondContact CG-O 3.33Å; R312-L387 PolarHBondContact N-O 3.3Å; V315-L387 HydrophobicContact CG1-CD1 4.23Å; V315-L387 HydrophobicContact CG2-CB 4.42Å; V315-L387 HydrophobicContact CG2-CD1 4.44Å; V315-L387 HydrophobicContact CG2-CD2 3.93Å; V315-L387 HydrophobicContact CG2-CG 4.5Å; W318-L387 HydrophobicContact CH2-CD2 3.64Å; W318-L387 HydrophobicContact CZ2-CD2 4.34Å; W318-L387 HydrophobicContact CZ3-CD2 4.21Å; W326-L387 HydrophobicContact CH2-CD1 3.56Å; W326-L387 HydrophobicContact CH2-CG 4.26Å; W326-L387 HydrophobicContact CZ2-CD1 3.55Å; W326-L387 HydrophobicContact CZ2-CD2 4.14Å; W326-L387 HydrophobicContact CZ2-CG 3.77Å; W326-L387 HydrophobicContact CZ3-CD1 4.25Å; L348-L387 HydrophobicContact CD2-CD1 3.56Å; L348-L387 HydrophobicContact CG-CD1 4.21Å; L384-L387 PolarHBondContact O-N 3.41Å; D385-L387 PolarHBondContact O-N 3.3Å
388A83.7Confident70.8Confident32 Ų3285.5 Ų85.526%0.26446%0.458SS..SBendtrans-56.1149.2174.800000111.1R312 D385 E390R312-A388 WeakPolarHBondContact CG-O 3.19Å; R312-A388 PolarHBondContact NE-O 2.89Å; D385-A388 WeakPolarHBondContact O-CB 3.49Å; D385-A388 PolarHBondContact O-N 3.34Å; A388-E390 PolarHBondContact O-N 2.77Å
389P79.4Confident68.1Low56 Ų5688.8 Ų88.836%0.36448%0.477SS..PPolyproline II helixtrans-55.6135.7170.5-16.529000109.7H309H309-P389 WeakPolarHBondContact O-CD 3.41Å; H309-P389 WeakPolarHBondContact O-CG 3.46Å
390E71Confident65.4Low113 Ų11389.5 Ų89.553%0.52849%0.489SS..PPolyproline II helixtrans-71.8137.8168.4-60.6-172.8-176.700107.3R312 A388 G392 D393R312-E390 IonicContact CZ-OE1 2.68Å; R312-E390 IonicContact NH1-OE1 3.04Å; R312-E390 PolarHBondContact NH1-OE1 3.47Å; R312-E390 IonicContact NH2-OE1 3.13Å; R312-E390 PolarHBondContact NH2-OE1 3.06Å; A388-E390 PolarHBondContact O-N 2.77Å; E390-G392 PolarHBondContact O-N 2.89Å; E390-D393 PolarHBondContact O-N 2.96Å
391D57.5Low62.5Low174 Ų17496.2 Ų96.293%0.9353%0.525SS*.THydrogen-bonded Turntrans-61.98-179.2-67.8-47.6000113.7
392G47.5Very low59.8Low63 Ų63101 Ų10165%0.64955%0.551SS**THydrogen-bonded Turntrans-101.7-10.6-178.100000116.2E390 V394E390-G392 PolarHBondContact O-N 2.89Å; G392-V394 VanDerWaalsContact C-N 3.3Å; G392-V394 PolarHBondContact O-N 2.71Å
393D43.4Very low56.9Low124 Ų124100.4 Ų100.466%0.66356%0.56SS**  trans-95.636.6-179.9-67.3-27.6000112.4E390 Q395E390-D393 PolarHBondContact O-N 2.96Å; D393-Q395 PolarHBondContact O-N 3.3Å
394V42.4Very low54.3Low124 Ų124106.1 Ų106.175%0.75259%0.594SS**  trans-74.862.6149.6-167.20000105.9G392 D396G392-V394 VanDerWaalsContact C-N 3.3Å; G392-V394 PolarHBondContact O-N 2.71Å; V394-D396 PolarHBondContact O-N 2.93Å; V394-D396 VanDerWaalsContact O-N 3.12Å
395Q37.1Very low51.6Low153 Ų153113.4 Ų113.472%0.71563%0.633SS**  trans-63.1116.4166.2-162.6144.934.100103.9D393 V397D393-Q395 PolarHBondContact O-N 3.3Å; Q395-V397 PolarHBondContact O-N 3.41Å
396D37.2Very low48.7Very low136 Ų136113.5 Ų113.573%0.72765%0.651SS**  trans-46.994.2168.8-60.6-60.5000106.7V394 E398V394-D396 PolarHBondContact O-N 2.93Å; V394-D396 VanDerWaalsContact O-N 3.12Å; D396-E398 HydrophobicContact CB-CG 4.4Å; D396-E398 PolarHBondContact O-N 3.04Å
397V37.6Very low46Very low126 Ų126120.1 Ų120.176%0.76467%0.673SS**  trans-75.279.4165.7-177.30000102.7Q395 D399Q395-V397 PolarHBondContact O-N 3.41Å; V397-D399 PolarHBondContact O-N 2.9Å
398E36.5Very low43.4Very low156 Ų156125.4 Ų125.473%0.72971%0.707SS**  trans-51.5121158.2-68-176.8142.500105.7D396 D400D396-E398 HydrophobicContact CB-CG 4.4Å; D396-E398 PolarHBondContact O-N 3.04Å; E398-D400 PolarHBondContact O-N 3.35Å
399D36.4Very low41.2Very low156 Ų156132.5 Ų132.583%0.83474%0.735SS**  trans-60.878.6173.3-72.1-55.2000109V397 D401V397-D399 PolarHBondContact O-N 2.9Å; D399-D401 PolarHBondContact O-N 3.13Å
400D34.7Very low39.1Very low136 Ų136137.9 Ų137.973%0.72776%0.76SS**  trans-78.477.2165.6-97.8-33.2000108.4E398 D402E398-D400 PolarHBondContact O-N 3.35Å; D400-D402 PolarHBondContact O-N 3.24Å
401D34.5Very low37.1Very low141 Ų141135.6 Ų135.675%0.75477%0.767SS**  trans-73.258.4165.3-164.815.6000109.7D399 C403D399-D401 PolarHBondContact O-N 3.13Å; D401-C403 VanDerWaalsContact C-N 3.3Å; D401-C403 PolarHBondContact O-N 2.9Å; D401-C403 VanDerWaalsContact O-N 3.08Å
402D34.6Very low36Very low147 Ų147134.6 Ų134.679%0.78676%0.761SS**  trans-85.679.8174.5-99.9-12.1000109.8D400 V404D400-D402 PolarHBondContact O-N 3.24Å; D402-V404 PolarHBondContact O-N 3.26Å
403C30.3Very low35.3Very low110 Ų110140.5 Ų140.574%0.74377%0.772SS**  trans-86.364.3-179.3-159.20000111.9D401D401-C403 VanDerWaalsContact C-N 3.3Å; D401-C403 PolarHBondContact O-N 2.9Å; D401-C403 VanDerWaalsContact O-N 3.08Å
404V37.1Very low35.2Very low121 Ų121141.8 Ų141.873%0.73378%0.778SS**  trans-157.4116.9173.9-175.80000106.9D402D402-V404 PolarHBondContact O-N 3.26Å
405D35.6Very low34.6Very low153 Ų153139.7 Ų139.782%0.81878%0.782SS**  -163.1124.252.4-111.3-35.4000109R407D405-R407 PolarHBondContact O-N 3.16Å
406G28.3Very low34.7Very low75 Ų75137.1 Ų137.177%0.77379%0.787SS**  trans-82106167.200000110.6
407R30.8Very low34.8Very low216 Ų216136.7 Ų136.782%0.81580%0.795SS**  trans-157.3113.4147.3-117.4172.7-175-1711.6112.8D405 H409D405-R407 PolarHBondContact O-N 3.16Å; R407-H409 PolarHBondContact O-N 3.28Å; R407-H409 VanDerWaalsContact O-N 3.17Å
408P36.9Very low34.9Very low121 Ų121135.9 Ų135.979%0.78680%0.795SS**  trans-74.8104.8172.429-29.5000108.9L410P408-L410 PolarHBondContact O-N 3.37Å
409H36Very low35.1Very low181 Ų181139.5 Ų139.584%0.83880%0.802SS**  trans-71100.2167.2-85.6-77.7000109.2R407R407-H409 PolarHBondContact O-N 3.28Å; R407-H409 VanDerWaalsContact O-N 3.17Å
410L35.5Very low35.2Very low169 Ų169140.5 Ų140.589%0.88583%0.832SS**  trans-61.9131.9163.7-81156.2000110.3P408P408-L410 PolarHBondContact O-N 3.37Å
411G29.6Very low35.2Very low66 Ų66140.7 Ų140.768%0.6884%0.837SS**  trans87107.4146.800000116.3
412N34.8Very low35.3Very low153 Ų153140.7 Ų140.782%0.81884%0.841SS**  -149.5104.9129.3-119.731.4000109.2
413H33.2Very low35.3Very low186 Ų186140.3 Ų140.386%0.86184%0.844SS**  trans-67122.9153.8-93.9-79.8000107
414D39.8Very low35.6Very low151 Ų151142.1 Ų142.181%0.80785%0.85SS**  trans-153.7113.6145.3-99-31.3000109
415G30.8Very low35.5Very low81 Ų81143.4 Ų143.484%0.83586%0.857SS**  trans-76.3129.2166.800000109.1
416A37.8Very low35.5Very low98 Ų98142.8 Ų142.881%0.8186%0.86SS**  trans-141.9119.5161.900000109.7
417S40Very low36Very low127 Ų127147.6 Ų147.689%0.88887%0.866SS**  trans-25.4131.8165.3-66.20000116.1
418S39.7Very low36.4Very low110 Ų110142.4 Ų142.477%0.76987%0.87SS**  trans-125.996.8151.4-172.80000106.8
419R40.3Very low36.4Very low231 Ų231144.2 Ų144.287%0.87288%0.877SS**  80.6107.1107.1-89.7-178.4164.7175.7-4112.9
420A39.6Very low36.4Very low177 Ų177140.8 Ų140.8100%1.46388%0.881SS**  trans280130.900000118.2

Retrieved 420 of 420 residues in 214.1 ms (Link to these results)

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