A0A087YKG4_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087YKG4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 705 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
1A79.9Confident87.5Confident42 Ų4289.1 Ų89.135%0.34747%0.472SS..  0-75.9000000111.6I3 A4 F14 L32 V36A1-I3 PolarHBondContact O-N 2.85Å; A1-I3 VanDerWaalsContact O-N 3.11Å; A1-A4 WeakPolarHBondContact O-CB 3.37Å; A1-A4 PolarHBondContact O-N 2.82Å; A1-F14 HydrophobicContact CB-CE2 4.06Å; A1-F14 HydrophobicContact CB-CZ 4.41Å; A1-L32 HydrophobicContact CB-CD1 3.49Å; A1-L32 VanDerWaalsContact CB-CD1 3.49Å; A1-V36 HydrophobicContact CB-CG2 3.87Å
2R84.9Confident87.6Confident130 Ų13082.9 Ų82.949%0.49144%0.44SS..Hα-helixtrans-34.8-56.5-173.9-165.7174.6-67.61612.9116A4 L5 E6 D30 L32R2-A4 VanDerWaalsContact C-N 3.26Å; R2-A4 PolarHBondContact O-N 2.91Å; R2-A4 VanDerWaalsContact O-N 3.16Å; R2-L5 WeakPolarHBondContact O-CB 3.48Å; R2-L5 PolarHBondContact O-N 2.86Å; R2-E6 HydrophobicContact CG-CG 4.45Å; R2-E6 VanDerWaalsContact CG-OE1 3.32Å; R2-E6 WeakPolarHBondContact CG-OE1 3.21Å; R2-E6 WeakPolarHBondContact O-CG 3.11Å; R2-E6 PolarHBondContact O-N 2.56Å; R2-D30 IonicContact CZ-OD2 2.94Å; R2-D30 IonicContact NH2-OD2 3.19Å; R2-D30 PolarHBondContact NH2-OD2 2.82Å; R2-L32 HydrophobicContact CB-CD2 4.29Å
3I89.4Confident87.7Confident111 Ų11181.3 Ų81.357%0.56943%0.431SS*.Hα-helixtrans-56.9-31.3-179.8-60.8171.2000114.1A1 E6 R7A1-I3 PolarHBondContact O-N 2.85Å; A1-I3 VanDerWaalsContact O-N 3.11Å; I3-E6 WeakPolarHBondContact CA-OE2 3.48Å; I3-R7 WeakPolarHBondContact O-CD 3.21Å; I3-R7 VanDerWaalsContact O-CG 3.24Å; I3-R7 WeakPolarHBondContact O-CG 3.26Å; I3-R7 PolarHBondContact O-N 2.84Å
4A88.6Confident87.8Confident38 Ų3880.1 Ų80.131%0.31442%0.42SS..Hα-helixtrans-74.5-36.3176.600000111.8A1 R2 R7 G8 A9 V12A1-A4 WeakPolarHBondContact O-CB 3.37Å; A1-A4 PolarHBondContact O-N 2.82Å; R2-A4 VanDerWaalsContact C-N 3.26Å; R2-A4 PolarHBondContact O-N 2.91Å; R2-A4 VanDerWaalsContact O-N 3.16Å; A4-R7 CarbonylContact O-C 3.57Å; A4-R7 PolarHBondContact O-N 2.88Å; A4-G8 PolarHBondContact O-N 3.09Å; A4-A9 HydrophobicContact CB-CB 4.41Å; A4-A9 WeakPolarHBondContact O-CB 3.37Å; A4-A9 PolarHBondContact O-N 3.24Å; A4-A9 VanDerWaalsContact O-N 3.08Å; A4-V12 HydrophobicContact CB-CG2 3.88Å
5L87.6Confident87.9Confident20 Ų2078.8 Ų78.811%0.10541%0.414CS..Hα-helixtrans-69-40.7174.8-57.8179.2000111.1R2 R7 G8 A9 V12 L32 H34R2-L5 WeakPolarHBondContact O-CB 3.48Å; R2-L5 PolarHBondContact O-N 2.86Å; L5-R7 PolarHBondContact O-N 3.11Å; L5-G8 PolarHBondContact O-N 2.86Å; L5-A9 WeakPolarHBondContact CD2-O 3.43Å; L5-V12 HydrophobicContact CD2-CG2 3.59Å; L5-V12 HydrophobicContact CG-CG2 3.93Å; L5-L32 HydrophobicContact CD1-CB 4.08Å; L5-L32 HydrophobicContact CD1-CD1 4.39Å; L5-L32 HydrophobicContact CD1-CD2 4.3Å; L5-L32 HydrophobicContact CD1-CG 4.49Å; L5-H34 HydrophobicContact CD1-CB 3.99Å; L5-H34 HydrophobicContact CD2-CB 3.51Å; L5-H34 HydrophobicContact CG-CB 4.34Å
6E87.4Confident87.9Confident136 Ų13674.2 Ų74.264%0.63639%0.39SS*.Hα-helixtrans-61.9-24.4172.7-69.3166168.600112.6R2 I3 G8R2-E6 HydrophobicContact CG-CG 4.45Å; R2-E6 VanDerWaalsContact CG-OE1 3.32Å; R2-E6 WeakPolarHBondContact CG-OE1 3.21Å; R2-E6 WeakPolarHBondContact O-CG 3.11Å; R2-E6 PolarHBondContact O-N 2.56Å; I3-E6 WeakPolarHBondContact CA-OE2 3.48Å; E6-G8 VanDerWaalsContact C-N 3.32Å
7R91.7Very high87.7Confident213 Ų21372.1 Ų72.180%0.80438%0.383SS*.THydrogen-bonded Turntrans-88.29.4172-70.4172.4-178.8-162-0.3113.9I3 A4 L5I3-R7 WeakPolarHBondContact O-CD 3.21Å; I3-R7 VanDerWaalsContact O-CG 3.24Å; I3-R7 WeakPolarHBondContact O-CG 3.26Å; I3-R7 PolarHBondContact O-N 2.84Å; A4-R7 CarbonylContact O-C 3.57Å; A4-R7 PolarHBondContact O-N 2.88Å; L5-R7 PolarHBondContact O-N 3.11Å
8G89.1Confident87.3Confident62 Ų6276.7 Ų76.764%0.63941%0.408SS*.THydrogen-bonded Turntrans89.811.5174.400000116A4 L5 E6 Q10A4-G8 PolarHBondContact O-N 3.09Å; L5-G8 PolarHBondContact O-N 2.86Å; E6-G8 VanDerWaalsContact C-N 3.32Å; G8-Q10 PolarHBondContact O-N 2.65Å
9A88.8Confident86.9Confident34 Ų3476.9 Ų76.928%0.28141%0.412SS..  trans-68.7127.6173.500000111.1A4 L5 A11A4-A9 HydrophobicContact CB-CB 4.41Å; A4-A9 WeakPolarHBondContact O-CB 3.37Å; A4-A9 PolarHBondContact O-N 3.24Å; A4-A9 VanDerWaalsContact O-N 3.08Å; L5-A9 WeakPolarHBondContact CD2-O 3.43Å; A9-A11 VanDerWaalsContact C-N 3.27Å; A9-A11 PolarHBondContact O-N 3.47Å
10Q87.3Confident86Confident167 Ų16777.4 Ų77.478%0.7843%0.426SS*.SBendtrans-71.1-21.4179.3-64178.4-3.900113.4G8 H34G8-Q10 PolarHBondContact O-N 2.65Å; Q10-H34 WeakPolarHBondContact O-CB 3.25Å; Q10-H34 PolarHBondContact O-CD2 3.32Å
11A88Confident85.4Confident27 Ų2779.1 Ų79.122%0.22343%0.434CS..  trans-154.4163.3175.400000109A9 P35 I61A9-A11 VanDerWaalsContact C-N 3.27Å; A9-A11 PolarHBondContact O-N 3.47Å; A11-P35 WeakPolarHBondContact CA-O 3.43Å; A11-P35 HydrophobicContact CB-CG 3.98Å; A11-I61 HydrophobicContact CB-CD1 3.52Å
12V88.8Confident85Confident15 Ų1577.8 Ų77.89%0.09142%0.423CS..EExtended strand (participates in β ladder)trans-124.2121.8169.8-170.50000109.5A4 L5 F14 P35 V36 V37A4-V12 HydrophobicContact CB-CG2 3.88Å; L5-V12 HydrophobicContact CD2-CG2 3.59Å; L5-V12 HydrophobicContact CG-CG2 3.93Å; V12-F14 HydrophobicContact CB-CE2 4.21Å; V12-F14 HydrophobicContact CG1-CD2 4Å; V12-F14 HydrophobicContact CG1-CE1 4.33Å; V12-F14 HydrophobicContact CG1-CE2 3.4Å; V12-F14 HydrophobicContact CG1-CZ 3.58Å; V12-P35 PolarHBondContact N-O 2.89Å; V12-V36 HydrophobicContact CB-CG2 4.4Å; V12-V36 CarbonylContact O-C 3.53Å; V12-V36 VanDerWaalsContact O-CA 3.29Å; V12-V36 WeakPolarHBondContact O-CA 3.37Å; V12-V37 PolarHBondContact O-N 2.87Å
13I89Confident84.3Confident62 Ų6273.2 Ų73.232%0.31841%0.409SS..EExtended strand (participates in β ladder)trans-101.7124.4174.7-51.8178.8000108.1V37 I39 L47 V59 I61I13-V37 CarbonylContact C-O 3.59Å; I13-V37 WeakPolarHBondContact CA-O 3.45Å; I13-V37 HydrophobicContact CG1-CB 4.42Å; I13-I39 HydrophobicContact CG2-CD1 3.65Å; I13-I39 HydrophobicContact CG2-CG1 3.96Å; I13-I39 HydrophobicContact CG2-CG2 3.95Å; I13-L47 HydrophobicContact CD1-CD2 4.3Å; I13-L47 HydrophobicContact CG2-CD2 4.21Å; I13-V59 HydrophobicContact CD1-CG1 4.23Å; I13-I61 HydrophobicContact CD1-CD1 4.2Å; I13-I61 HydrophobicContact CG1-CD1 4.26Å
14F88.9Confident83.5Confident64 Ų6470.6 Ų70.628%0.28140%0.403SS..EExtended strand (participates in β ladder)trans-108.8120.6171.9-73-75.1000110.4A1 V12 V16 L26 V36 V37 L38 I39A1-F14 HydrophobicContact CB-CE2 4.06Å; A1-F14 HydrophobicContact CB-CZ 4.41Å; V12-F14 HydrophobicContact CB-CE2 4.21Å; V12-F14 HydrophobicContact CG1-CD2 4Å; V12-F14 HydrophobicContact CG1-CE1 4.33Å; V12-F14 HydrophobicContact CG1-CE2 3.4Å; V12-F14 HydrophobicContact CG1-CZ 3.58Å; F14-V16 HydrophobicContact CB-CG1 3.86Å; F14-V16 PolarHBondContact O-N 2.91Å; F14-L26 HydrophobicContact CD2-CD1 4.06Å; F14-L26 HydrophobicContact CG-CD1 4.37Å; F14-V36 HydrophobicContact CD2-CG1 3.62Å; F14-V36 HydrophobicContact CE2-CG1 3.77Å; F14-V37 PolarHBondContact N-O 3.45Å; F14-L38 HydrophobicContact CB-CD2 3.98Å; F14-L38 HydrophobicContact CD2-CD2 4.24Å; F14-I39 PolarHBondContact O-N 2.81Å
15D88.9Confident82.9Confident61 Ų6175 Ų7533%0.32642%0.417SS..EExtended strand (participates in β ladder)trans-70.3116.5156.2-171-6.6000108.5S17 I39 A44D15-S17 WeakPolarHBondContact OD1-CB 3.35Å; D15-S17 PolarHBondContact OD1-N 2.84Å; D15-S17 PolarHBondContact OD1-OG 3.42Å; D15-I39 HydrophobicContact CB-CG1 4.27Å; D15-A44 HydrophobicContact CB-CB 4.4Å; D15-A44 WeakPolarHBondContact OD1-CB 3.44Å
16V87.4Confident82.1Confident5 Ų576.6 Ų76.63%0.0343%0.426CS..  trans-117.923.3175.7-56.30000111.4F14 D18 V19 A22 D23 L38 I39 K40F14-V16 HydrophobicContact CB-CG1 3.86Å; F14-V16 PolarHBondContact O-N 2.91Å; V16-D18 VanDerWaalsContact C-N 3.3Å; V16-D18 PolarHBondContact O-N 3.12Å; V16-V19 CarbonylContact O-C 3.58Å; V16-V19 PolarHBondContact O-N 3.32Å; V16-A22 HydrophobicContact CB-CB 4.27Å; V16-A22 HydrophobicContact CG1-CB 3.79Å; V16-D23 HydrophobicContact CG2-CB 4.44Å; V16-L38 HydrophobicContact CG1-CD2 4.47Å; V16-L38 HydrophobicContact CG2-CB 4.26Å; V16-I39 PolarHBondContact N-O 2.87Å; V16-K40 HydrophobicContact CG2-CD 4.19Å; V16-K40 HydrophobicContact CG2-CG 3.64Å
17S85.1Confident81.2Confident39 Ų3976.4 Ų76.427%0.27342%0.423SS..SBendtrans-55.4-43.5176.8-59.50000112.7D15 G41 A44D15-S17 WeakPolarHBondContact OD1-CB 3.35Å; D15-S17 PolarHBondContact OD1-N 2.84Å; D15-S17 PolarHBondContact OD1-OG 3.42Å; S17-G41 PolarHBondContact OG-N 3.26Å; S17-A44 WeakPolarHBondContact OG-CB 3.43Å
18D80.7Confident79.9Confident155 Ų15573.1 Ų73.183%0.82942%0.421SS*.SBendtrans-94.3-4.2-176.1-57.4-30.1000112.6V16V16-D18 VanDerWaalsContact C-N 3.3Å; V16-D18 PolarHBondContact O-N 3.12Å
19V79.5Confident78.5Confident81 Ų8172.8 Ų72.849%0.49141%0.413SS..  trans-130.674.4-174.1-167.40000110.7V16 I21 A22V16-V19 CarbonylContact O-C 3.58Å; V16-V19 PolarHBondContact O-N 3.32Å; V19-I21 PolarHBondContact O-N 2.93Å; V19-A22 HydrophobicContact CB-CB 4.27Å; V19-A22 HydrophobicContact CG1-CB 3.87Å; V19-A22 WeakPolarHBondContact O-CB 3.43Å; V19-A22 PolarHBondContact O-N 3.41Å; V19-A22 VanDerWaalsContact O-N 3.09Å
20A69.1Low77.2Confident85 Ų8576.4 Ų76.470%0.70243%0.427SS*.THydrogen-bonded Turntrans-55.3-26.1-177.900000114.7
21I73.2Confident76.3Confident115 Ų11574.4 Ų74.459%0.5943%0.432SS*.THydrogen-bonded Turntrans-76.1-30.1-178.6-56.6175000112.1V19 D23 A24 E25V19-I21 PolarHBondContact O-N 2.93Å; I21-D23 PolarHBondContact O-N 2.86Å; I21-D23 VanDerWaalsContact O-N 3.14Å; I21-A24 WeakPolarHBondContact O-CB 3.38Å; I21-A24 PolarHBondContact O-N 2.7Å; I21-E25 HydrophobicContact CG2-CG 4.19Å; I21-E25 PolarHBondContact O-N 2.82Å
22A71.4Confident75.8Confident14 Ų1475.5 Ų75.512%0.11643%0.433CS..Hα-helixtrans-62.1-27.9-176.100000112.6V16 V19 A24 E25 L26V16-A22 HydrophobicContact CB-CB 4.27Å; V16-A22 HydrophobicContact CG1-CB 3.79Å; V19-A22 HydrophobicContact CB-CB 4.27Å; V19-A22 HydrophobicContact CG1-CB 3.87Å; V19-A22 WeakPolarHBondContact O-CB 3.43Å; V19-A22 PolarHBondContact O-N 3.41Å; V19-A22 VanDerWaalsContact O-N 3.09Å; A22-A24 VanDerWaalsContact C-N 3.26Å; A22-A24 PolarHBondContact O-N 3.37Å; A22-E25 PolarHBondContact O-N 2.75Å; A22-L26 HydrophobicContact CB-CD1 4.35Å; A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.44Å; A22-L26 WeakPolarHBondContact O-CG 3.44Å; A22-L26 PolarHBondContact O-N 3.39Å
23D71.1Confident75.1Confident34 Ų3480.1 Ų80.118%0.18246%0.464CS..Hα-helixtrans-74-10.8174.7-178.652.3000113.9V16 I21 K27 L38 K40V16-D23 HydrophobicContact CG2-CB 4.44Å; I21-D23 PolarHBondContact O-N 2.86Å; I21-D23 VanDerWaalsContact O-N 3.14Å; D23-K27 VanDerWaalsContact O-CD 3.24Å; D23-K27 WeakPolarHBondContact O-CD 3.17Å; D23-K27 VanDerWaalsContact O-CE 3.26Å; D23-K27 WeakPolarHBondContact O-CE 3.45Å; D23-K27 WeakPolarHBondContact O-CG 3.5Å; D23-K27 PolarHBondContact O-NZ 3.32Å; D23-K27 VanDerWaalsContact OD1-CE 3.3Å; D23-K27 WeakPolarHBondContact OD1-CE 3.15Å; D23-K27 IonicContact OD1-NZ 3.84Å; D23-K27 PolarHBondContact OD1-NZ 2.96Å; D23-K27 IonicContact OD2-NZ 2.68Å; D23-K27 PolarHBondContact OD2-NZ 3.46Å; D23-L38 HydrophobicContact CB-CD1 4.31Å; D23-L38 WeakPolarHBondContact OD1-CD1 3.36Å; D23-K40 IonicContact OD1-NZ 3.92Å; D23-K40 IonicContact OD2-NZ 2.86Å; D23-K40 PolarHBondContact OD2-NZ 3.46Å
24A71.8Confident74.8Confident56 Ų5681 Ų8146%0.46347%0.466SS..Hα-helixtrans-93.6-42.3167.100000111.1I21 A22 K27 N28I21-A24 WeakPolarHBondContact O-CB 3.38Å; I21-A24 PolarHBondContact O-N 2.7Å; A22-A24 VanDerWaalsContact C-N 3.26Å; A22-A24 PolarHBondContact O-N 3.37Å; A24-K27 PolarHBondContact O-N 3.14Å; A24-N28 PolarHBondContact O-ND2 2.76Å
25E75.7Confident74.5Confident129 Ų12981.4 Ų81.460%0.60348%0.475SS*.Hα-helixtrans-65.8-45.5179.9-66.4176.7174.600112.3I21 A22 K27 N28 A29I21-E25 HydrophobicContact CG2-CG 4.19Å; I21-E25 PolarHBondContact O-N 2.82Å; A22-E25 PolarHBondContact O-N 2.75Å; E25-K27 PolarHBondContact O-N 3.03Å; E25-N28 PolarHBondContact O-N 2.6Å; E25-N28 VanDerWaalsContact O-N 3.07Å; E25-A29 PolarHBondContact O-N 2.96Å
26L71.8Confident74.3Confident54 Ų5480.6 Ų80.628%0.28347%0.473SS..THydrogen-bonded Turntrans-72.6-14.3-178.2-68.4165.5000113.6F14 A22 L38F14-L26 HydrophobicContact CD2-CD1 4.06Å; F14-L26 HydrophobicContact CG-CD1 4.37Å; A22-L26 HydrophobicContact CB-CD1 4.35Å; A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.44Å; A22-L26 WeakPolarHBondContact O-CG 3.44Å; A22-L26 PolarHBondContact O-N 3.39Å; L26-L38 HydrophobicContact CB-CD1 4.25Å; L26-L38 HydrophobicContact CB-CD2 4.33Å; L26-L38 HydrophobicContact CD1-CD2 3.55Å
27K68.6Low74.3Confident133 Ų13382.5 Ų82.558%0.57848%0.484SS*.THydrogen-bonded Turntrans-80.4-18.3169.6-70.8-178.4-170.8120.90113.4D23 A24 E25D23-K27 VanDerWaalsContact O-CD 3.24Å; D23-K27 WeakPolarHBondContact O-CD 3.17Å; D23-K27 VanDerWaalsContact O-CE 3.26Å; D23-K27 WeakPolarHBondContact O-CE 3.45Å; D23-K27 WeakPolarHBondContact O-CG 3.5Å; D23-K27 PolarHBondContact O-NZ 3.32Å; D23-K27 VanDerWaalsContact OD1-CE 3.3Å; D23-K27 WeakPolarHBondContact OD1-CE 3.15Å; D23-K27 IonicContact OD1-NZ 3.84Å; D23-K27 PolarHBondContact OD1-NZ 2.96Å; D23-K27 IonicContact OD2-NZ 2.68Å; D23-K27 PolarHBondContact OD2-NZ 3.46Å; A24-K27 PolarHBondContact O-N 3.14Å; E25-K27 PolarHBondContact O-N 3.03Å
28N64Low74.3Confident144 Ų14482.9 Ų82.977%0.7748%0.483SS*.SBendtrans-99.72.1177.3-64.3-33.9000112.6A24 E25A24-N28 PolarHBondContact O-ND2 2.76Å; E25-N28 PolarHBondContact O-N 2.6Å; E25-N28 VanDerWaalsContact O-N 3.07Å
29A59.8Low74.7Confident55 Ų5577.2 Ų77.246%0.45545%0.452SS..SBendtrans-78.7148.2-179.900000112E25E25-A29 PolarHBondContact O-N 2.96Å
30D62Low75.1Confident110 Ų11078 Ų7859%0.58845%0.449SS*.  trans-49.7152.5179.2-51-49.1000113R2 L32R2-D30 IonicContact CZ-OD2 2.94Å; R2-D30 IonicContact NH2-OD2 3.19Å; R2-D30 PolarHBondContact NH2-OD2 2.82Å; D30-L32 PolarHBondContact O-N 3.35Å
31S68.3Low76Confident125 Ų12575.5 Ų75.587%0.87443%0.432SS*.  trans-58.799.3173.457.90000111.7
32L76.8Confident76.6Confident49 Ų4973.2 Ų73.226%0.25743%0.429SS..  trans-79.4147.8176.5-68.7168.3000111A1 R2 L5 D30 H34 V36A1-L32 HydrophobicContact CB-CD1 3.49Å; A1-L32 VanDerWaalsContact CB-CD1 3.49Å; R2-L32 HydrophobicContact CB-CD2 4.29Å; L5-L32 HydrophobicContact CD1-CB 4.08Å; L5-L32 HydrophobicContact CD1-CD1 4.39Å; L5-L32 HydrophobicContact CD1-CD2 4.3Å; L5-L32 HydrophobicContact CD1-CG 4.49Å; D30-L32 PolarHBondContact O-N 3.35Å; L32-H34 PolarHBondContact O-N 3.2Å; L32-V36 HydrophobicContact CD1-CG2 3.59Å
33P74.8Confident77.4Confident112 Ų11277.1 Ų77.173%0.72745%0.448SS*.SBendtrans-73.5-8.5-175.330.4-37.1000114.4
34H81.3Confident78.2Confident82 Ų8275.5 Ų75.538%0.3844%0.44SS..SBendtrans-136.3149.3-178-71.9105000109.5L5 Q10 L32 V36L5-H34 HydrophobicContact CD1-CB 3.99Å; L5-H34 HydrophobicContact CD2-CB 3.51Å; L5-H34 HydrophobicContact CG-CB 4.34Å; Q10-H34 WeakPolarHBondContact O-CB 3.25Å; Q10-H34 PolarHBondContact O-CD2 3.32Å; L32-H34 PolarHBondContact O-N 3.2Å; H34-V36 PolarHBondContact O-N 3.37Å
35P82.9Confident79Confident71 Ų7179.9 Ų79.946%0.46145%0.449SS..  trans-64.4136.1-17425.3-33.9000112.4A11 V12A11-P35 WeakPolarHBondContact CA-O 3.43Å; A11-P35 HydrophobicContact CB-CG 3.98Å; V12-P35 PolarHBondContact N-O 2.89Å
36V86Confident79.5Confident45 Ų4579.8 Ų79.827%0.27345%0.446SS..EExtended strand (participates in β ladder)trans-108.3115.1167.5-178.50000107.9A1 V12 F14 L32 H34 L38A1-V36 HydrophobicContact CB-CG2 3.87Å; V12-V36 HydrophobicContact CB-CG2 4.4Å; V12-V36 CarbonylContact O-C 3.53Å; V12-V36 VanDerWaalsContact O-CA 3.29Å; V12-V36 WeakPolarHBondContact O-CA 3.37Å; F14-V36 HydrophobicContact CD2-CG1 3.62Å; F14-V36 HydrophobicContact CE2-CG1 3.77Å; L32-V36 HydrophobicContact CD1-CG2 3.59Å; H34-V36 PolarHBondContact O-N 3.37Å; V36-L38 HydrophobicContact CG1-CD2 4.22Å
37V86.1Confident80.2Confident44 Ų4479.7 Ų79.727%0.26745%0.446SS..EExtended strand (participates in β ladder)trans-102.9132.2-178.1-176.70000109.1V12 I13 F14 I39 I61V12-V37 PolarHBondContact O-N 2.87Å; I13-V37 CarbonylContact C-O 3.59Å; I13-V37 WeakPolarHBondContact CA-O 3.45Å; I13-V37 HydrophobicContact CG1-CB 4.42Å; F14-V37 PolarHBondContact N-O 3.45Å; V37-I39 HydrophobicContact CG1-CG2 4.13Å; V37-I61 HydrophobicContact CG2-CD1 4.15Å; V37-I61 HydrophobicContact CG2-CG2 3.79Å
38L86.8Confident81Confident48 Ų4878.2 Ų78.225%0.25144%0.442SS..EExtended strand (participates in β ladder)trans-104.9120.7175.9-50-175.5000108.8F14 V16 D23 L26 V36F14-L38 HydrophobicContact CB-CD2 3.98Å; F14-L38 HydrophobicContact CD2-CD2 4.24Å; V16-L38 HydrophobicContact CG1-CD2 4.47Å; V16-L38 HydrophobicContact CG2-CB 4.26Å; D23-L38 HydrophobicContact CB-CD1 4.31Å; D23-L38 WeakPolarHBondContact OD1-CD1 3.36Å; L26-L38 HydrophobicContact CB-CD1 4.25Å; L26-L38 HydrophobicContact CB-CD2 4.33Å; L26-L38 HydrophobicContact CD1-CD2 3.55Å; V36-L38 HydrophobicContact CG1-CD2 4.22Å
39I88Confident82.1Confident35 Ų3575.6 Ų75.618%0.17943%0.428CS..EExtended strand (participates in β ladder)trans-112.2149.5176.264.8179.1000110.2I13 F14 D15 V16 V37 A44 L47I13-I39 HydrophobicContact CG2-CD1 3.65Å; I13-I39 HydrophobicContact CG2-CG1 3.96Å; I13-I39 HydrophobicContact CG2-CG2 3.95Å; F14-I39 PolarHBondContact O-N 2.81Å; D15-I39 HydrophobicContact CB-CG1 4.27Å; V16-I39 PolarHBondContact N-O 2.87Å; V37-I39 HydrophobicContact CG1-CG2 4.13Å; I39-A44 HydrophobicContact CB-CB 4.29Å; I39-A44 HydrophobicContact CD1-CB 3.99Å; I39-A44 HydrophobicContact CG1-CB 3.82Å; I39-L47 HydrophobicContact CD1-CB 4.29Å; I39-L47 HydrophobicContact CD1-CD2 3.52Å
40K87.9Confident83.3Confident98 Ų9876.9 Ų76.943%0.42643%0.427SS..  trans-143.3150.3-174.3-65.6-177.8-174.1177.10111.6V16 D23 A42V16-K40 HydrophobicContact CG2-CD 4.19Å; V16-K40 HydrophobicContact CG2-CG 3.64Å; D23-K40 IonicContact OD1-NZ 3.92Å; D23-K40 IonicContact OD2-NZ 2.86Å; D23-K40 PolarHBondContact OD2-NZ 3.46Å; K40-A42 PolarHBondContact O-N 2.8Å
41G87.5Confident84.4Confident33 Ų3376 Ų7634%0.3443%0.425SS..Hα-helixtrans62-119.8163.600000113.8S17 K45S17-G41 PolarHBondContact OG-N 3.26Å; G41-K45 WeakPolarHBondContact O-CG 3.18Å; G41-K45 PolarHBondContact O-N 3.07Å
42A87.1Confident85.1Confident66 Ų6675.9 Ų75.955%0.54542%0.415SS..Hα-helixtrans-66.2-40.4-172.300000113K40 K45 K46K40-A42 PolarHBondContact O-N 2.8Å; A42-K45 PolarHBondContact O-N 3.08Å; A42-K46 WeakPolarHBondContact O-CG 3.49Å; A42-K46 PolarHBondContact O-N 2.98Å; A42-K46 VanDerWaalsContact O-N 3.12Å
43D86.9Confident85.5Confident96 Ų9678.7 Ų78.751%0.51343%0.426SS..Hα-helixtrans-79-31.2-174.5-58.3-51.5000112.3K46 L47D43-K46 PolarHBondContact O-N 2.9Å; D43-K46 WeakPolarHBondContact OD1-CE 3.23Å; D43-K46 IonicContact OD1-NZ 2.64Å; D43-K46 PolarHBondContact OD1-NZ 3.43Å; D43-L47 PolarHBondContact O-N 3.45Å
44A87.9Confident85.7Confident1 Ų180.5 Ų80.51%0.00843%0.43CS..Hα-helixtrans-60.7-45.9168.300000112.2D15 S17 I39 K46 L47 M48D15-A44 HydrophobicContact CB-CB 4.4Å; D15-A44 WeakPolarHBondContact OD1-CB 3.44Å; S17-A44 WeakPolarHBondContact OG-CB 3.43Å; I39-A44 HydrophobicContact CB-CB 4.29Å; I39-A44 HydrophobicContact CD1-CB 3.99Å; I39-A44 HydrophobicContact CG1-CB 3.82Å; A44-K46 VanDerWaalsContact C-N 3.33Å; A44-K46 PolarHBondContact O-N 3.24Å; A44-L47 PolarHBondContact O-N 3.42Å; A44-M48 WeakPolarHBondContact O-CB 3.47Å; A44-M48 PolarHBondContact O-N 2.93Å
45K88.3Confident85.5Confident148 Ų14882.3 Ų82.364%0.64344%0.439SS*.Hα-helixtrans-62.4-36.5175.9-71.4175.4-177.6-174.90112.9G41 A42 N49G41-K45 WeakPolarHBondContact O-CG 3.18Å; G41-K45 PolarHBondContact O-N 3.07Å; A42-K45 PolarHBondContact O-N 3.08Å; K45-N49 VanDerWaalsContact O-CB 3.28Å; K45-N49 WeakPolarHBondContact O-CB 3.2Å; K45-N49 PolarHBondContact O-N 2.81Å
46K86.8Confident85.3Confident126 Ų12689 Ų8955%0.54846%0.463SS..Hα-helixtrans-62.6-49.9172.8-67.8168.7-163.2164.50111.5A42 D43 A44 N49 L50A42-K46 WeakPolarHBondContact O-CG 3.49Å; A42-K46 PolarHBondContact O-N 2.98Å; A42-K46 VanDerWaalsContact O-N 3.12Å; D43-K46 PolarHBondContact O-N 2.9Å; D43-K46 WeakPolarHBondContact OD1-CE 3.23Å; D43-K46 IonicContact OD1-NZ 2.64Å; D43-K46 PolarHBondContact OD1-NZ 3.43Å; A44-K46 VanDerWaalsContact C-N 3.33Å; A44-K46 PolarHBondContact O-N 3.24Å; K46-N49 WeakPolarHBondContact O-CB 3.44Å; K46-N49 PolarHBondContact O-N 2.87Å; K46-L50 PolarHBondContact O-N 2.97Å
47L86.3Confident84.9Confident52 Ų5289.9 Ų89.927%0.27248%0.476SS..Hα-helixtrans-63.3-45.9-178.9-172.668.8000111.5I13 I39 D43 A44 N49 L50 V51I13-L47 HydrophobicContact CD1-CD2 4.3Å; I13-L47 HydrophobicContact CG2-CD2 4.21Å; I39-L47 HydrophobicContact CD1-CB 4.29Å; I39-L47 HydrophobicContact CD1-CD2 3.52Å; D43-L47 PolarHBondContact O-N 3.45Å; A44-L47 PolarHBondContact O-N 3.42Å; L47-N49 VanDerWaalsContact C-N 3.26Å; L47-N49 PolarHBondContact O-N 3.16Å; L47-L50 PolarHBondContact O-N 3.28Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 3.48Å; L47-V51 VanDerWaalsContact O-N 3.15Å
48M86.7Confident84.6Confident103 Ų10394.6 Ų94.651%0.50751%0.505SS..Hα-helixtrans-62.9-33.6177.4-165.86265.800112.2A44 V51 N52A44-M48 WeakPolarHBondContact O-CB 3.47Å; A44-M48 PolarHBondContact O-N 2.93Å; M48-V51 PolarHBondContact O-N 3.01Å; M48-N52 VanDerWaalsContact O-CB 3.29Å; M48-N52 WeakPolarHBondContact O-CB 3.3Å; M48-N52 PolarHBondContact O-N 3.33Å
49N86.6Confident84.4Confident88 Ų8896.6 Ų96.647%0.47152%0.519SS..Hα-helixtrans-65.3-42.1175.9-168.954.1000112.2K45 K46 L47 N52 H53K45-N49 VanDerWaalsContact O-CB 3.28Å; K45-N49 WeakPolarHBondContact O-CB 3.2Å; K45-N49 PolarHBondContact O-N 2.81Å; K46-N49 WeakPolarHBondContact O-CB 3.44Å; K46-N49 PolarHBondContact O-N 2.87Å; L47-N49 VanDerWaalsContact C-N 3.26Å; L47-N49 PolarHBondContact O-N 3.16Å; N49-N52 PolarHBondContact O-N 2.89Å; N49-H53 PolarHBondContact O-N 3.27Å; N49-H53 VanDerWaalsContact O-N 3.1Å; N49-H53 PolarHBondContact O-ND1 2.91Å; N49-H53 PolarHBondContact OD1-CE1 2.85Å; N49-H53 PolarHBondContact OD1-ND1 2.86Å
50L84.9Confident84.2Confident82 Ų82100.8 Ų100.843%0.42955%0.546SS..Hα-helixtrans-61.5-46.4175.2-65.8170.1000111.3K46 L47 N52 H53K46-L50 PolarHBondContact O-N 2.97Å; L47-L50 PolarHBondContact O-N 3.28Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 3.26Å; L50-H53 PolarHBondContact O-N 3.47Å; L50-H53 VanDerWaalsContact O-N 3.16Å
51V84.8Confident83.9Confident91 Ų9199.5 Ų99.555%0.55254%0.543SS*.Hα-helixtrans-58.4-43.6175.4175.30000111.2L47 M48 H53 N54L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 3.48Å; L47-V51 VanDerWaalsContact O-N 3.15Å; M48-V51 PolarHBondContact O-N 3.01Å; V51-H53 VanDerWaalsContact C-N 3.27Å; V51-H53 PolarHBondContact O-N 2.92Å; V51-N54 PolarHBondContact O-N 2.84Å
52N83.8Confident83.5Confident123 Ų123104.3 Ų104.366%0.65856%0.557SS**Hα-helixtrans-70.8-16.9-179.9-17373.4000114.2M48 N49 L50 N54M48-N52 VanDerWaalsContact O-CB 3.29Å; M48-N52 WeakPolarHBondContact O-CB 3.3Å; M48-N52 PolarHBondContact O-N 3.33Å; N49-N52 PolarHBondContact O-N 2.89Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 3.26Å; N52-N54 VanDerWaalsContact C-N 3.29Å
53H84Confident82.8Confident109 Ų109105.7 Ų105.751%0.50557%0.568SS.*THydrogen-bonded Turntrans-84.7-2.6170.9-75.768.7000112.8N49 L50 V51 E55N49-H53 PolarHBondContact O-N 3.27Å; N49-H53 VanDerWaalsContact O-N 3.1Å; N49-H53 PolarHBondContact O-ND1 2.91Å; N49-H53 PolarHBondContact OD1-CE1 2.85Å; N49-H53 PolarHBondContact OD1-ND1 2.86Å; L50-H53 PolarHBondContact O-N 3.47Å; L50-H53 VanDerWaalsContact O-N 3.16Å; V51-H53 VanDerWaalsContact C-N 3.27Å; V51-H53 PolarHBondContact O-N 2.92Å; H53-E55 HydrophobicContact CB-CG 4.04Å; H53-E55 PolarHBondContact O-N 2.64Å
54N79.1Confident81.9Confident149 Ų149109.1 Ų109.180%0.79758%0.578SS**THydrogen-bonded Turntrans55.828.8-175.4-61.2-35.2000113.8V51 N52V51-N54 PolarHBondContact O-N 2.84Å; N52-N54 VanDerWaalsContact C-N 3.29Å
55E78.4Confident81Confident121 Ų121115.3 Ų115.357%0.56562%0.616SS**  trans-78129.3176.1-66.2-177.9165.100110.5H53 A57H53-E55 HydrophobicContact CB-CG 4.04Å; H53-E55 PolarHBondContact O-N 2.64Å; E55-A57 PolarHBondContact O-N 3.21Å
56E77.6Confident79.6Confident210 Ų210116.5 Ų116.598%0.98162%0.624SS**  trans-71.699.7175.8-68.8-169.6164.600110.5
57A76.9Confident78.2Confident65 Ų65114.8 Ų114.854%0.53763%0.625SS.*  trans-117.1128.4-176.800000112.6E55E55-A57 PolarHBondContact O-N 3.21Å
58T80.3Confident76.7Confident142 Ų142122.1 Ų122.187%0.87166%0.655SS**  trans-82.9113.9173.246.60000110.9
59V82.7Confident74.9Confident90 Ų90126.7 Ų126.755%0.54567%0.667SS.*  trans-92.8120.7179.2-177.60000110.5I13 I61I13-V59 HydrophobicContact CD1-CG1 4.23Å; V59-I61 HydrophobicContact CG1-CG1 4.27Å
60V83.4Confident73.9Confident123 Ų123125 Ų12575%0.74566%0.66SS**  trans-108.1133.8172.1-178.70000109.2
61I82.2Confident72.9Confident71 Ų71129 Ų12936%0.36468%0.677SS.*  trans-113.1103-177-59.6173.3000109.2A11 I13 V37 V59A11-I61 HydrophobicContact CB-CD1 3.52Å; I13-I61 HydrophobicContact CD1-CD1 4.2Å; I13-I61 HydrophobicContact CG1-CD1 4.26Å; V37-I61 HydrophobicContact CG2-CD1 4.15Å; V37-I61 HydrophobicContact CG2-CG2 3.79Å; V59-I61 HydrophobicContact CG1-CG1 4.27Å
62E78.9Confident72Confident135 Ų135132.1 Ų132.163%0.63168%0.68SS**  trans-90.6116.6175.3-66.2-175.5162.100111.3K64E62-K64 PolarHBondContact O-N 2.88Å; E62-K64 WeakPolarHBondContact OE2-CE 3.33Å; E62-K64 IonicContact OE2-NZ 3.13Å; E62-K64 PolarHBondContact OE2-NZ 2.86Å
63A73.2Confident71.4Confident95 Ų95130.3 Ų130.379%0.78567%0.67SS**  trans-77.881.6175.100000111.5V65A63-V65 PolarHBondContact O-N 3.12Å
64K66.4Low71.4Confident168 Ų168130.3 Ų130.373%0.7368%0.678SS**  trans-72.687.5173.8-69.4179.7-177.9165.10110.5E62 E66E62-K64 PolarHBondContact O-N 2.88Å; E62-K64 WeakPolarHBondContact OE2-CE 3.33Å; E62-K64 IonicContact OE2-NZ 3.13Å; E62-K64 PolarHBondContact OE2-NZ 2.86Å; K64-E66 PolarHBondContact O-N 3.18Å
65V69.4Low71.5Confident131 Ų131126.6 Ų126.679%0.79466%0.663SS**  trans-66.6110.4169.1-178.60000108.2A63A63-V65 PolarHBondContact O-N 3.12Å
66E58.8Low72Confident173 Ų173124.8 Ų124.881%0.80866%0.657SS**  trans-62.6125.9175.5-66.7-171.5149.600110.1K64 K68K64-E66 PolarHBondContact O-N 3.18Å; E66-K68 PolarHBondContact O-N 2.91Å
67P58.2Low72.5Confident90 Ų90119.6 Ų119.658%0.58464%0.635SS**  trans-67105.6175.126.8-32.7000108.7W69P67-W69 PolarHBondContact O-N 3.38Å
68K55.3Low73.2Confident205 Ų205121.7 Ų121.789%0.89164%0.636SS**  trans-76.172.4180-162171.1-171.2172.80110.1E66E66-K68 PolarHBondContact O-N 2.91Å
69W47.8Very low73.9Confident199 Ų199118.8 Ų118.875%0.75462%0.619SS**  trans-49.7126.4-173.9-70.397.4000111.4P67 H71P67-W69 PolarHBondContact O-N 3.38Å; W69-H71 PolarHBondContact O-N 3.13Å
70P66.6Low74.4Confident52 Ų52118.5 Ų118.534%0.33861%0.613SS.*  trans-72.1117.1-174.426.1-32.6000111.7Y72 D73P70-Y72 HydrophobicContact CB-CD1 3.58Å; P70-Y72 HydrophobicContact CB-CD2 4.14Å; P70-Y72 HydrophobicContact CB-CE1 3.29Å; P70-Y72 HydrophobicContact CB-CE2 3.85Å; P70-Y72 HydrophobicContact CB-CG 3.99Å; P70-Y72 VanDerWaalsContact CB-CZ 3.42Å; P70-Y72 HydrophobicContact CG-CD2 4.37Å; P70-Y72 HydrophobicContact CG-CE1 3.94Å; P70-Y72 HydrophobicContact CG-CE2 3.74Å; P70-Y72 VanDerWaalsContact CG-CZ 3.49Å; P70-Y72 PolarHBondContact O-N 3.07Å; P70-D73 PolarHBondContact O-N 3.28Å
71H63.6Low75Confident167 Ų167116.3 Ų116.377%0.77360%0.6SS**THydrogen-bonded Turntrans-59.8-7.1176.9-61.5-69.9000114.9W69 D73 S75W69-H71 PolarHBondContact O-N 3.13Å; H71-D73 VanDerWaalsContact C-N 3.32Å; H71-S75 PolarHBondContact O-OG 3.44Å
72Y66.3Low75.7Confident157 Ų157117.6 Ų117.662%0.61661%0.607SS**Hα-helixtrans-65.8-32.7173.358.7-121.5000112.8P70 S75 I76P70-Y72 HydrophobicContact CB-CD1 3.58Å; P70-Y72 HydrophobicContact CB-CD2 4.14Å; P70-Y72 HydrophobicContact CB-CE1 3.29Å; P70-Y72 HydrophobicContact CB-CE2 3.85Å; P70-Y72 HydrophobicContact CB-CG 3.99Å; P70-Y72 VanDerWaalsContact CB-CZ 3.42Å; P70-Y72 HydrophobicContact CG-CD2 4.37Å; P70-Y72 HydrophobicContact CG-CE1 3.94Å; P70-Y72 HydrophobicContact CG-CE2 3.74Å; P70-Y72 VanDerWaalsContact CG-CZ 3.49Å; P70-Y72 PolarHBondContact O-N 3.07Å; Y72-S75 WeakPolarHBondContact O-CB 3.22Å; Y72-S75 PolarHBondContact O-N 3.05Å; Y72-I76 HydrophobicContact CD2-CD1 4.19Å; Y72-I76 WeakPolarHBondContact O-CD1 3.35Å; Y72-I76 VanDerWaalsContact O-CG1 3.25Å; Y72-I76 WeakPolarHBondContact O-CG1 3.47Å; Y72-I76 PolarHBondContact O-N 2.94Å
73D71Confident76.5Confident84 Ų84115 Ų11545%0.44960%0.6SS.*Hα-helixtrans-69.5-52.6-167.6-163.37.1000111.9P70 H71 S75 I76 L77P70-D73 PolarHBondContact O-N 3.28Å; H71-D73 VanDerWaalsContact C-N 3.32Å; D73-S75 PolarHBondContact O-N 2.86Å; D73-I76 PolarHBondContact O-N 3.34Å; D73-I76 VanDerWaalsContact O-N 3.09Å; D73-L77 WeakPolarHBondContact O-CG 3.42Å; D73-L77 PolarHBondContact O-N 3.42Å
74V82.6Confident77.7Confident110 Ų110115 Ų11567%0.66759%0.586SS**Hα-helixtrans-56.7-35.3173-175.70000111.8L78V74-L78 WeakPolarHBondContact O-CB 3.39Å; V74-L78 PolarHBondContact O-N 3.4Å; V74-L78 VanDerWaalsContact O-N 3.09Å
75S82.5Confident79.1Confident71 Ų71111.3 Ų111.350%0.49757%0.574SS.*Hα-helixtrans-69.8-40.1178.5-55.70000112.2H71 Y72 D73 T79H71-S75 PolarHBondContact O-OG 3.44Å; Y72-S75 WeakPolarHBondContact O-CB 3.22Å; Y72-S75 PolarHBondContact O-N 3.05Å; D73-S75 PolarHBondContact O-N 2.86Å; S75-T79 WeakPolarHBondContact O-CG2 3.42Å; S75-T79 PolarHBondContact O-N 3.43Å
76I88.4Confident80.4Confident83 Ų83108.8 Ų108.843%0.42656%0.559SS.*Hα-helixtrans-66.7-46175.9-70.1161.7000110.3Y72 D73 L78 T79 I80Y72-I76 HydrophobicContact CD2-CD1 4.19Å; Y72-I76 WeakPolarHBondContact O-CD1 3.35Å; Y72-I76 VanDerWaalsContact O-CG1 3.25Å; Y72-I76 WeakPolarHBondContact O-CG1 3.47Å; Y72-I76 PolarHBondContact O-N 2.94Å; D73-I76 PolarHBondContact O-N 3.34Å; D73-I76 VanDerWaalsContact O-N 3.09Å; I76-L78 VanDerWaalsContact C-N 3.3Å; I76-L78 PolarHBondContact O-N 3.07Å; I76-T79 PolarHBondContact O-N 3.02Å; I76-T79 PolarHBondContact O-OG1 3.02Å; I76-I80 HydrophobicContact CG2-CD1 3.81Å; I76-I80 WeakPolarHBondContact O-CG1 3.28Å; I76-I80 PolarHBondContact O-N 3Å
77L88.9Confident82.2Confident101 Ų101104.3 Ų104.353%0.52954%0.54SS..Hα-helixtrans-59.7-41.3177.6-67.2168.6000111.7D73 I80 V81D73-L77 WeakPolarHBondContact O-CG 3.42Å; D73-L77 PolarHBondContact O-N 3.42Å; L77-I80 PolarHBondContact O-N 3.45Å; L77-V81 WeakPolarHBondContact O-CG2 3.21Å; L77-V81 PolarHBondContact O-N 3Å; L77-V81 VanDerWaalsContact O-N 3.08Å
78L91.2Very high84Confident108 Ų108104 Ų10457%0.56554%0.536SS*.Hα-helixtrans-63.1-41.7176.3-176.862.5000112.6V74 I76 V81 L82V74-L78 WeakPolarHBondContact O-CB 3.39Å; V74-L78 PolarHBondContact O-N 3.4Å; V74-L78 VanDerWaalsContact O-N 3.09Å; I76-L78 VanDerWaalsContact C-N 3.3Å; I76-L78 PolarHBondContact O-N 3.07Å; L78-V81 PolarHBondContact O-N 3.3Å; L78-L82 HydrophobicContact CG-CD1 4.26Å; L78-L82 WeakPolarHBondContact O-CG 3.24Å; L78-L82 PolarHBondContact O-N 3.13Å; L78-L82 VanDerWaalsContact O-N 3.09Å
79T93.9Very high86Confident81 Ų81100 Ų10050%0.49752%0.523SS..Hα-helixtrans-67.7-38177.959.60000112.1S75 I76 L82 V83S75-T79 WeakPolarHBondContact O-CG2 3.42Å; S75-T79 PolarHBondContact O-N 3.43Å; I76-T79 PolarHBondContact O-N 3.02Å; I76-T79 PolarHBondContact O-OG1 3.02Å; T79-L82 PolarHBondContact O-N 3.29Å; T79-V83 WeakPolarHBondContact O-CG2 3.21Å; T79-V83 PolarHBondContact O-N 3.15Å
80I94.7Very high88.2Confident84 Ų8495 Ų9543%0.43151%0.51SS..Hα-helixtrans-61.3-46.7175.5-66.9166.5000110.9I76 L77 L82 V83 I84I76-I80 HydrophobicContact CG2-CD1 3.81Å; I76-I80 WeakPolarHBondContact O-CG1 3.28Å; I76-I80 PolarHBondContact O-N 3Å; L77-I80 PolarHBondContact O-N 3.45Å; I80-L82 PolarHBondContact O-N 3.25Å; I80-V83 PolarHBondContact O-N 3.11Å; I80-I84 HydrophobicContact CG2-CD1 3.84Å; I80-I84 WeakPolarHBondContact O-CG1 3.27Å; I80-I84 PolarHBondContact O-N 2.92Å
81V95.7Very high89.6Confident78 Ų7899.6 Ų99.647%0.47353%0.525SS..Hα-helixtrans-60.7-43.6177.5171.10000111.5L77 L78 I84 L85L77-V81 WeakPolarHBondContact O-CG2 3.21Å; L77-V81 PolarHBondContact O-N 3Å; L77-V81 VanDerWaalsContact O-N 3.08Å; L78-V81 PolarHBondContact O-N 3.3Å; V81-I84 PolarHBondContact O-N 2.95Å; V81-L85 HydrophobicContact CG1-CD1 4Å; V81-L85 HydrophobicContact CG1-CG 4.49Å; V81-L85 WeakPolarHBondContact O-CG 3.45Å; V81-L85 PolarHBondContact O-N 2.77Å
82L96Very high91Very high97 Ų9794 Ų9451%0.50851%0.508SS..Hα-helixtrans-63.3-41.8177.1-70.9170.6000112.3L78 T79 I80 L85 T86L78-L82 HydrophobicContact CG-CD1 4.26Å; L78-L82 WeakPolarHBondContact O-CG 3.24Å; L78-L82 PolarHBondContact O-N 3.13Å; L78-L82 VanDerWaalsContact O-N 3.09Å; T79-L82 PolarHBondContact O-N 3.29Å; I80-L82 PolarHBondContact O-N 3.25Å; L82-L85 PolarHBondContact O-N 3.46Å; L82-T86 WeakPolarHBondContact O-CG2 3.4Å; L82-T86 PolarHBondContact O-N 3.38Å; L82-T86 PolarHBondContact O-OG1 3.47Å
83V97Very high92.3Very high81 Ų8193.2 Ų93.249%0.49151%0.508SS..Hα-helixtrans-61.2-48.2175.2169.20000110.9T79 I80 L85 T86 I87T79-V83 WeakPolarHBondContact O-CG2 3.21Å; T79-V83 PolarHBondContact O-N 3.15Å; I80-V83 PolarHBondContact O-N 3.11Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-L85 PolarHBondContact O-N 2.9Å; V83-T86 PolarHBondContact O-N 2.9Å; V83-T86 PolarHBondContact O-OG1 2.93Å; V83-I87 HydrophobicContact CG1-CD1 3.8Å; V83-I87 WeakPolarHBondContact O-CG1 3.41Å; V83-I87 PolarHBondContact O-N 3.08Å
84I96.8Very high93.3Very high94 Ų9497.4 Ų97.448%0.48252%0.518SS..Hα-helixtrans-58.2-45.7177.4-67.6166.9000110.9I80 V81 T86 I87 V88I80-I84 HydrophobicContact CG2-CD1 3.84Å; I80-I84 WeakPolarHBondContact O-CG1 3.27Å; I80-I84 PolarHBondContact O-N 2.92Å; V81-I84 PolarHBondContact O-N 2.95Å; I84-T86 PolarHBondContact O-N 2.67Å; I84-I87 PolarHBondContact O-N 3.47Å; I84-V88 HydrophobicContact CG2-CG2 4.4Å; I84-V88 WeakPolarHBondContact O-CG2 3.45Å; I84-V88 PolarHBondContact O-N 3.37Å
85L96.6Very high93.6Very high92 Ų92100.4 Ų100.448%0.48252%0.518SS..Hα-helixtrans-60.4-43.1177.3-73.2170.5000112.3V81 L82 V83 I87 V88 L89V81-L85 HydrophobicContact CG1-CD1 4Å; V81-L85 HydrophobicContact CG1-CG 4.49Å; V81-L85 WeakPolarHBondContact O-CG 3.45Å; V81-L85 PolarHBondContact O-N 2.77Å; L82-L85 PolarHBondContact O-N 3.46Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-L85 PolarHBondContact O-N 2.9Å; L85-I87 VanDerWaalsContact C-N 3.35Å; L85-I87 PolarHBondContact O-N 2.86Å; L85-V88 PolarHBondContact O-N 2.93Å; L85-L89 WeakPolarHBondContact O-CB 3.43Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.35Å
86T96.8Very high93.8Very high77 Ų77103.6 Ų103.647%0.47252%0.523SS..Hα-helixtrans-64-38.4175.760.10000112.8L82 V83 I84 L89 I90L82-T86 WeakPolarHBondContact O-CG2 3.4Å; L82-T86 PolarHBondContact O-N 3.38Å; L82-T86 PolarHBondContact O-OG1 3.47Å; V83-T86 PolarHBondContact O-N 2.9Å; V83-T86 PolarHBondContact O-OG1 2.93Å; I84-T86 PolarHBondContact O-N 2.67Å; T86-L89 PolarHBondContact O-N 3.26Å; T86-I90 WeakPolarHBondContact O-CB 3.3Å; T86-I90 WeakPolarHBondContact O-CD1 3.5Å; T86-I90 VanDerWaalsContact O-CG1 3.23Å; T86-I90 WeakPolarHBondContact O-CG1 3.39Å; T86-I90 PolarHBondContact O-N 2.93Å
87I96.8Very high93.5Very high80 Ų80101.9 Ų101.941%0.4152%0.518SS..Hα-helixtrans-63.6-47.6175.9-68.9167.4000110.5V83 I84 L85 L89 I90 F91V83-I87 HydrophobicContact CG1-CD1 3.8Å; V83-I87 WeakPolarHBondContact O-CG1 3.41Å; V83-I87 PolarHBondContact O-N 3.08Å; I84-I87 PolarHBondContact O-N 3.47Å; L85-I87 VanDerWaalsContact C-N 3.35Å; L85-I87 PolarHBondContact O-N 2.86Å; I87-L89 PolarHBondContact O-N 3.08Å; I87-I90 PolarHBondContact O-N 3.27Å; I87-F91 HydrophobicContact CG2-CD2 3.71Å; I87-F91 HydrophobicContact CG2-CE2 3.7Å; I87-F91 WeakPolarHBondContact O-CD2 3.47Å; I87-F91 PolarHBondContact O-N 3.39Å
88V96.6Very high93.2Very high83 Ų83104.6 Ų104.650%0.50353%0.526SS..Hα-helixtrans-60.2-43.5176.91710000111.3I84 L85 I90 F91 A92I84-V88 HydrophobicContact CG2-CG2 4.4Å; I84-V88 WeakPolarHBondContact O-CG2 3.45Å; I84-V88 PolarHBondContact O-N 3.37Å; L85-V88 PolarHBondContact O-N 2.93Å; V88-I90 PolarHBondContact O-N 3.07Å; V88-F91 PolarHBondContact O-N 2.88Å; V88-A92 WeakPolarHBondContact O-CB 3.19Å; V88-A92 PolarHBondContact O-N 3.46Å
89L95.7Very high92.6Very high120 Ų120101.1 Ų101.163%0.62851%0.51SS*.Hα-helixtrans-63.5-39.2175.8-72.4170.8000112.3L85 T86 I87 F93L85-L89 WeakPolarHBondContact O-CB 3.43Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.42Å; L85-L89 PolarHBondContact O-N 3.35Å; T86-L89 PolarHBondContact O-N 3.26Å; I87-L89 PolarHBondContact O-N 3.08Å; L89-F93 WeakPolarHBondContact O-CB 3.38Å; L89-F93 PolarHBondContact O-N 2.94Å
90I95.6Very high91.7Very high94 Ų94101.4 Ų101.448%0.48251%0.509SS..Hα-helixtrans-63.6-45.7174.3-70.9163.2000110.6T86 I87 V88 F93 R94T86-I90 WeakPolarHBondContact O-CB 3.3Å; T86-I90 WeakPolarHBondContact O-CD1 3.5Å; T86-I90 VanDerWaalsContact O-CG1 3.23Å; T86-I90 WeakPolarHBondContact O-CG1 3.39Å; T86-I90 PolarHBondContact O-N 2.93Å; I87-I90 PolarHBondContact O-N 3.27Å; V88-I90 PolarHBondContact O-N 3.07Å; I90-F93 PolarHBondContact O-N 2.8Å; I90-R94 HydrophobicContact CG2-CG 4.32Å; I90-R94 WeakPolarHBondContact O-CB 3.4Å; I90-R94 WeakPolarHBondContact O-CG 3.41Å; I90-R94 PolarHBondContact O-N 3.04Å
91F95Very high90.8Very high149 Ų149106.9 Ų106.965%0.65452%0.524SS*.Hα-helixtrans-65-43.9177-83.8-69.8000112.4I87 V88 F93 R94 Y95I87-F91 HydrophobicContact CG2-CD2 3.71Å; I87-F91 HydrophobicContact CG2-CE2 3.7Å; I87-F91 WeakPolarHBondContact O-CD2 3.47Å; I87-F91 PolarHBondContact O-N 3.39Å; V88-F91 PolarHBondContact O-N 2.88Å; F91-F93 PolarHBondContact O-N 3.5Å; F91-R94 PolarHBondContact O-N 2.89Å; F91-Y95 WeakPolarHBondContact O-CB 3.28Å; F91-Y95 PolarHBondContact O-N 3.31Å
92A93.5Very high90.1Very high50 Ų50106.9 Ų106.941%0.41352%0.524SS..Hα-helixtrans-61-43.917600000111.9V88 Y95 K96V88-A92 WeakPolarHBondContact O-CB 3.19Å; V88-A92 PolarHBondContact O-N 3.46Å; A92-Y95 PolarHBondContact O-N 2.98Å; A92-K96 WeakPolarHBondContact O-CB 3.5Å; A92-K96 WeakPolarHBondContact O-CG 3.16Å; A92-K96 PolarHBondContact O-N 3.35Å
93F93.8Very high89.2Confident140 Ų140110.1 Ų110.161%0.61453%0.53SS*.Hα-helixtrans-63.7-46174.7-176.9-99.2000111.6L89 I90 F91 Y95 K96 C97L89-F93 WeakPolarHBondContact O-CB 3.38Å; L89-F93 PolarHBondContact O-N 2.94Å; I90-F93 PolarHBondContact O-N 2.8Å; F91-F93 PolarHBondContact O-N 3.5Å; F93-Y95 VanDerWaalsContact C-N 3.33Å; F93-Y95 PolarHBondContact O-N 3.29Å; F93-K96 PolarHBondContact O-N 3.4Å; F93-C97 VanDerWaalsContact CZ-SG 3.51Å; F93-C97 VanDerWaalsContact O-CB 3.31Å; F93-C97 WeakPolarHBondContact O-CB 3.3Å; F93-C97 PolarHBondContact O-N 3.4Å; F93-C97 PolarHBondContact O-SG 3.06Å; F93-C97 VanDerWaalsContact O-SG 3.34Å
94R90.5Very high88.4Confident173 Ų173111 Ų11165%0.65353%0.532SS*.Hα-helixtrans-63-38176.7-69.8-70.7177.192.71.6112I90 F91 K98I90-R94 HydrophobicContact CG2-CG 4.32Å; I90-R94 WeakPolarHBondContact O-CB 3.4Å; I90-R94 WeakPolarHBondContact O-CG 3.41Å; I90-R94 PolarHBondContact O-N 3.04Å; F91-R94 PolarHBondContact O-N 2.89Å; R94-K98 WeakPolarHBondContact O-CB 3.24Å; R94-K98 PolarHBondContact O-N 3.08Å
95Y89.8Confident87.9Confident172 Ų172109.2 Ų109.268%0.67553%0.528SS*.Hα-helixtrans-65.4-50.9174.8-175.7-88.7000111.5F91 A92 F93 K98 S99F91-Y95 WeakPolarHBondContact O-CB 3.28Å; F91-Y95 PolarHBondContact O-N 3.31Å; A92-Y95 PolarHBondContact O-N 2.98Å; F93-Y95 VanDerWaalsContact C-N 3.33Å; F93-Y95 PolarHBondContact O-N 3.29Å; Y95-K98 PolarHBondContact O-N 2.79Å; Y95-S99 WeakPolarHBondContact O-CB 3.3Å; Y95-S99 PolarHBondContact O-N 3.29Å
96K86.9Confident87.4Confident139 Ų139107.2 Ų107.260%0.60452%0.519SS*.Hα-helixtrans-59-48.3176.1-73.7-76.5-176.2174.90111.6A92 F93 K98 S99 N100A92-K96 WeakPolarHBondContact O-CB 3.5Å; A92-K96 WeakPolarHBondContact O-CG 3.16Å; A92-K96 PolarHBondContact O-N 3.35Å; F93-K96 PolarHBondContact O-N 3.4Å; K96-K98 PolarHBondContact O-N 2.9Å; K96-S99 PolarHBondContact O-N 2.85Å; K96-N100 WeakPolarHBondContact O-CB 3.48Å; K96-N100 PolarHBondContact O-N 3.33Å; K96-N100 PolarHBondContact O-OD1 3.38Å; K96-N100 VanDerWaalsContact O-OD1 3.08Å
97C82.4Confident87Confident47 Ų47108.5 Ų108.532%0.31852%0.52SS..Hα-helixtrans-66-35.1177.9-69.30000113.3F93 R101F93-C97 VanDerWaalsContact CZ-SG 3.51Å; F93-C97 VanDerWaalsContact O-CB 3.31Å; F93-C97 WeakPolarHBondContact O-CB 3.3Å; F93-C97 PolarHBondContact O-N 3.4Å; F93-C97 PolarHBondContact O-SG 3.06Å; F93-C97 VanDerWaalsContact O-SG 3.34Å; C97-R101 WeakPolarHBondContact O-CB 3.35Å; C97-R101 WeakPolarHBondContact O-CG 3.35Å; C97-R101 PolarHBondContact O-N 2.9Å; C97-R101 VanDerWaalsContact O-N 3.13Å
98K81.1Confident86.6Confident158 Ų158109.8 Ų109.869%0.68752%0.524SS*.Hα-helixtrans-66.3-46.6172.8-176.4178.5177.7-176.40110.7R94 Y95 K96 R101 T102R94-K98 WeakPolarHBondContact O-CB 3.24Å; R94-K98 PolarHBondContact O-N 3.08Å; Y95-K98 PolarHBondContact O-N 2.79Å; K96-K98 PolarHBondContact O-N 2.9Å; K98-R101 PolarHBondContact O-N 3.3Å; K98-T102 PolarHBondContact O-N 3.02Å; K98-T102 VanDerWaalsContact O-N 3.08Å; K98-T102 PolarHBondContact O-OG1 3.13Å
99S78.9Confident86.3Confident34 Ų34110.4 Ų110.424%0.23852%0.521CS..Hα-helixtrans-61.3-53.4178.9-169.30000111.5Y95 K96 R101 T102 W103Y95-S99 WeakPolarHBondContact O-CB 3.3Å; Y95-S99 PolarHBondContact O-N 3.29Å; K96-S99 PolarHBondContact O-N 2.85Å; S99-R101 PolarHBondContact O-N 3.19Å; S99-T102 WeakPolarHBondContact CA-OG1 3.48Å; S99-T102 PolarHBondContact O-N 3.08Å; S99-T102 PolarHBondContact O-OG1 3.45Å; S99-W103 PolarHBondContact O-N 3.47Å; S99-W103 PolarHBondContact OG-NE1 2.83Å
100N76.1Confident86.1Confident88 Ų88104.7 Ų104.747%0.47149%0.491SS..Hα-helixtrans-55.6-48.7177.5-7333.3000111.1K96 T102 W103 D104K96-N100 WeakPolarHBondContact O-CB 3.48Å; K96-N100 PolarHBondContact O-N 3.33Å; K96-N100 PolarHBondContact O-OD1 3.38Å; K96-N100 VanDerWaalsContact O-OD1 3.08Å; N100-T102 PolarHBondContact O-N 3.37Å; N100-W103 CarbonylContact O-C 3.53Å; N100-W103 WeakPolarHBondContact O-CA 3.33Å; N100-W103 WeakPolarHBondContact O-CB 3.46Å; N100-W103 PolarHBondContact O-N 2.67Å; N100-D104 PolarHBondContact O-N 3.25Å; N100-D104 VanDerWaalsContact O-OD2 3.1Å
101R75.4Confident85.9Confident198 Ų198103.5 Ų103.575%0.74749%0.488SS*.Hα-helixtrans-60.7-29.9177.4-71.8177.474.2175.24.9113.6C97 K98 S99 S105C97-R101 WeakPolarHBondContact O-CB 3.35Å; C97-R101 WeakPolarHBondContact O-CG 3.35Å; C97-R101 PolarHBondContact O-N 2.9Å; C97-R101 VanDerWaalsContact O-N 3.13Å; K98-R101 PolarHBondContact O-N 3.3Å; S99-R101 PolarHBondContact O-N 3.19Å; R101-S105 VanDerWaalsContact O-CB 3.25Å; R101-S105 WeakPolarHBondContact O-CB 3.41Å; R101-S105 PolarHBondContact O-N 3.13Å
102T81.1Confident85.7Confident78 Ų78103 Ų10348%0.47948%0.482SS..Hα-helixtrans-73.3-40.2170.947.90000112.6K98 S99 N100 V106K98-T102 PolarHBondContact O-N 3.02Å; K98-T102 VanDerWaalsContact O-N 3.08Å; K98-T102 PolarHBondContact O-OG1 3.13Å; S99-T102 WeakPolarHBondContact CA-OG1 3.48Å; S99-T102 PolarHBondContact O-N 3.08Å; S99-T102 PolarHBondContact O-OG1 3.45Å; N100-T102 PolarHBondContact O-N 3.37Å; T102-V106 WeakPolarHBondContact O-CG2 3.32Å; T102-V106 PolarHBondContact O-N 3.48Å
103W76.7Confident85.5Confident165 Ų165101.3 Ų101.363%0.62547%0.468SS*.Hα-helixtrans-63.6-49.2174.5-71.2112.5000112S99 N100 S105 V106 H107S99-W103 PolarHBondContact O-N 3.47Å; S99-W103 PolarHBondContact OG-NE1 2.83Å; N100-W103 CarbonylContact O-C 3.53Å; N100-W103 WeakPolarHBondContact O-CA 3.33Å; N100-W103 WeakPolarHBondContact O-CB 3.46Å; N100-W103 PolarHBondContact O-N 2.67Å; W103-S105 VanDerWaalsContact C-N 3.3Å; W103-S105 PolarHBondContact O-N 3.25Å; W103-V106 PolarHBondContact O-N 3.3Å; W103-H107 WeakPolarHBondContact O-CB 3.31Å; W103-H107 PolarHBondContact O-N 2.84Å
104D80.6Confident85.4Confident101 Ų10195.2 Ų95.254%0.5444%0.442SS..Hα-helixtrans-57.4-43.5178.6-59.4-32.9000111.3N100 Q108N100-D104 PolarHBondContact O-N 3.25Å; N100-D104 VanDerWaalsContact O-OD2 3.1Å; D104-Q108 VanDerWaalsContact O-CB 3.3Å; D104-Q108 WeakPolarHBondContact O-CB 3.42Å; D104-Q108 PolarHBondContact O-N 3.25Å
105S85.9Confident85.4Confident56 Ų5690 Ų9039%0.39244%0.442SS..Hα-helixtrans-64.1-50.5177.8-175.50000112R101 W103 H107 Q108 Q109R101-S105 VanDerWaalsContact O-CB 3.25Å; R101-S105 WeakPolarHBondContact O-CB 3.41Å; R101-S105 PolarHBondContact O-N 3.13Å; W103-S105 VanDerWaalsContact C-N 3.3Å; W103-S105 PolarHBondContact O-N 3.25Å; S105-H107 PolarHBondContact O-N 3.46Å; S105-Q108 PolarHBondContact O-N 3.48Å; S105-Q109 VanDerWaalsContact O-CG 3.3Å; S105-Q109 WeakPolarHBondContact O-CG 3.25Å; S105-Q109 PolarHBondContact O-N 3.41Å
106V86Confident85.4Confident50 Ų5092 Ų9230%0.30345%0.449SS..Hα-helixtrans-67.1-37.8179.8172.90000111.2T102 W103 Q109 T110T102-V106 WeakPolarHBondContact O-CG2 3.32Å; T102-V106 PolarHBondContact O-N 3.48Å; W103-V106 PolarHBondContact O-N 3.3Å; V106-Q109 PolarHBondContact O-N 2.91Å; V106-T110 WeakPolarHBondContact O-CB 3.2Å; V106-T110 PolarHBondContact O-N 3.34Å; V106-T110 PolarHBondContact O-OG1 2.86Å
107H88.8Confident85.6Confident104 Ų10486.5 Ų86.548%0.48143%0.425SS..Hα-helixtrans-61.4-49.1173.2-178102.6000110.8W103 S105 Q109 T110 V111 M181W103-H107 WeakPolarHBondContact O-CB 3.31Å; W103-H107 PolarHBondContact O-N 2.84Å; S105-H107 PolarHBondContact O-N 3.46Å; H107-Q109 VanDerWaalsContact C-N 3.33Å; H107-Q109 PolarHBondContact O-N 2.88Å; H107-T110 WeakPolarHBondContact O-CB 3.49Å; H107-T110 PolarHBondContact O-N 2.82Å; H107-T110 VanDerWaalsContact O-N 3.08Å; H107-V111 WeakPolarHBondContact O-CG2 3.34Å; H107-V111 PolarHBondContact O-N 3.42Å; H107-M181 WeakPolarHBondContact CE1-CE 3.21Å
108Q89.1Confident86.1Confident106 Ų10690.6 Ų90.650%0.49544%0.44SS..Hα-helixtrans-63.8-36.3177.4-165.4-176.250.100112.5D104 S105 R112D104-Q108 VanDerWaalsContact O-CB 3.3Å; D104-Q108 WeakPolarHBondContact O-CB 3.42Å; D104-Q108 PolarHBondContact O-N 3.25Å; S105-Q108 PolarHBondContact O-N 3.48Å; Q108-R112 WeakPolarHBondContact O-CB 3.35Å; Q108-R112 VanDerWaalsContact O-CG 3.24Å; Q108-R112 WeakPolarHBondContact O-CG 3.33Å; Q108-R112 PolarHBondContact O-N 2.81Å; Q108-R112 VanDerWaalsContact O-N 3.08Å
109Q90.2Very high86.6Confident96 Ų9686.4 Ų86.445%0.44943%0.428SS..Hα-helixtrans-64.1-40.9171.2-72.2174.1-4.700111.8S105 V106 H107 R112 A113 M194S105-Q109 VanDerWaalsContact O-CG 3.3Å; S105-Q109 WeakPolarHBondContact O-CG 3.25Å; S105-Q109 PolarHBondContact O-N 3.41Å; V106-Q109 PolarHBondContact O-N 2.91Å; H107-Q109 VanDerWaalsContact C-N 3.33Å; H107-Q109 PolarHBondContact O-N 2.88Å; Q109-R112 PolarHBondContact O-N 3.31Å; Q109-A113 PolarHBondContact O-N 3.44Å; Q109-M194 HydrophobicContact CB-CE 3.66Å
110T90.8Very high87.2Confident0 Ų090.8 Ų90.80%044%0.439CS..Hα-helixtrans-63.4-47.5177.8-52.30000111V106 H107 R112 A113 I114 L180 M181 R184V106-T110 WeakPolarHBondContact O-CB 3.2Å; V106-T110 PolarHBondContact O-N 3.34Å; V106-T110 PolarHBondContact O-OG1 2.86Å; H107-T110 WeakPolarHBondContact O-CB 3.49Å; H107-T110 PolarHBondContact O-N 2.82Å; H107-T110 VanDerWaalsContact O-N 3.08Å; T110-R112 VanDerWaalsContact C-N 3.3Å; T110-R112 PolarHBondContact O-N 3.39Å; T110-A113 WeakPolarHBondContact O-CB 3.45Å; T110-A113 PolarHBondContact O-N 3.19Å; T110-I114 HydrophobicContact CG2-CD1 4.07Å; T110-I114 WeakPolarHBondContact O-CG1 3.5Å; T110-I114 PolarHBondContact O-N 3.38Å; T110-L180 WeakPolarHBondContact CG2-O 3.33Å; T110-M181 HydrophobicContact CG2-SD 4.25Å; T110-R184 HydrophobicContact CG2-CG 3.85Å; T110-R184 WeakPolarHBondContact OG1-CD 3.3Å; T110-R184 PolarHBondContact OG1-NE 3.3Å
111V90.9Very high88Confident69 Ų6991.1 Ų91.142%0.41844%0.44SS..Hα-helixtrans-57-42.7173.7174.10000111.2H107 A113 G115 M181H107-V111 WeakPolarHBondContact O-CG2 3.34Å; H107-V111 PolarHBondContact O-N 3.42Å; V111-A113 VanDerWaalsContact C-N 3.35Å; V111-G115 PolarHBondContact O-N 2.93Å; V111-M181 HydrophobicContact CG2-CE 3.54Å; V111-M181 HydrophobicContact CG2-SD 3.58Å; V111-M181 VanDerWaalsContact CG2-SD 3.58Å
112R91.1Very high88.7Confident140 Ų14083.4 Ų83.453%0.52841%0.411SS..Hα-helixtrans-68.4-29.9176.5-71.4171.7-173.1179.87.4113.2Q108 Q109 T110 R116Q108-R112 WeakPolarHBondContact O-CB 3.35Å; Q108-R112 VanDerWaalsContact O-CG 3.24Å; Q108-R112 WeakPolarHBondContact O-CG 3.33Å; Q108-R112 PolarHBondContact O-N 2.81Å; Q108-R112 VanDerWaalsContact O-N 3.08Å; Q109-R112 PolarHBondContact O-N 3.31Å; T110-R112 VanDerWaalsContact C-N 3.3Å; T110-R112 PolarHBondContact O-N 3.39Å; R112-R116 WeakPolarHBondContact O-CD 3.45Å; R112-R116 VanDerWaalsContact O-CG 3.28Å; R112-R116 WeakPolarHBondContact O-CG 3.4Å; R112-R116 PolarHBondContact O-N 2.84Å
113A90.3Very high88.9Confident14 Ų1488.9 Ų88.912%0.11642%0.423CS..Hα-helixtrans-72-48.6174.700000110.8Q109 T110 V111 G115 R116 L117 I193 M194Q109-A113 PolarHBondContact O-N 3.44Å; T110-A113 WeakPolarHBondContact O-CB 3.45Å; T110-A113 PolarHBondContact O-N 3.19Å; V111-A113 VanDerWaalsContact C-N 3.35Å; A113-G115 VanDerWaalsContact C-N 3.3Å; A113-G115 PolarHBondContact O-N 3.21Å; A113-R116 WeakPolarHBondContact O-CB 3.23Å; A113-R116 PolarHBondContact O-N 2.99Å; A113-L117 PolarHBondContact O-N 3.39Å; A113-I193 HydrophobicContact CB-CD1 3.97Å; A113-I193 HydrophobicContact CB-CG1 4.25Å; A113-M194 HydrophobicContact CB-SD 3.82Å
114I91.4Very high89.1Confident11 Ų1183.1 Ų83.16%0.05641%0.408CS..Hα-helixtrans-59.7-41.8175-62.9168.2000110.7T110 R116 L117 R163 D177 L180 M181 I193T110-I114 HydrophobicContact CG2-CD1 4.07Å; T110-I114 WeakPolarHBondContact O-CG1 3.5Å; T110-I114 PolarHBondContact O-N 3.38Å; I114-R116 PolarHBondContact O-N 2.97Å; I114-R116 VanDerWaalsContact O-N 3.11Å; I114-L117 WeakPolarHBondContact O-CB 3.22Å; I114-L117 PolarHBondContact O-N 3.42Å; I114-L117 VanDerWaalsContact O-N 3.07Å; I114-R163 PolarHBondContact O-NH1 2.89Å; I114-D177 VanDerWaalsContact CG2-OD1 3.27Å; I114-D177 WeakPolarHBondContact CG2-OD1 3.29Å; I114-L180 HydrophobicContact CD1-CB 3.58Å; I114-L180 HydrophobicContact CG1-CB 3.79Å; I114-L180 HydrophobicContact CG1-CD1 4.33Å; I114-M181 HydrophobicContact CD1-CB 4.48Å; I114-M181 HydrophobicContact CD1-CG 3.65Å; I114-M181 HydrophobicContact CD1-SD 3.64Å; I114-I193 HydrophobicContact CG1-CD1 3.54Å
115G89.5Confident88.7Confident65 Ų6587.5 Ų87.567%0.6743%0.425SS*.THydrogen-bonded Turntrans-65.4-7.2175.100000115.7V111 A113V111-G115 PolarHBondContact O-N 2.93Å; A113-G115 VanDerWaalsContact C-N 3.3Å; A113-G115 PolarHBondContact O-N 3.21Å
116R90.4Very high87.5Confident214 Ų21489 Ų8981%0.80844%0.436SS*.THydrogen-bonded Turntrans-102.4-11.5172.3-71.8165.4174-179.6-4.5113.5R112 A113 I114R112-R116 WeakPolarHBondContact O-CD 3.45Å; R112-R116 VanDerWaalsContact O-CG 3.28Å; R112-R116 WeakPolarHBondContact O-CG 3.4Å; R112-R116 PolarHBondContact O-N 2.84Å; A113-R116 WeakPolarHBondContact O-CB 3.23Å; A113-R116 PolarHBondContact O-N 2.99Å; I114-R116 PolarHBondContact O-N 2.97Å; I114-R116 VanDerWaalsContact O-N 3.11Å
117L91.4Very high86.1Confident22 Ų2293 Ų9312%0.11546%0.464CS..SBendtrans-73.1134.3176.3-65.7179.1000109.9A113 I114 R163 L180 I193A113-L117 PolarHBondContact O-N 3.39Å; I114-L117 WeakPolarHBondContact O-CB 3.22Å; I114-L117 PolarHBondContact O-N 3.42Å; I114-L117 VanDerWaalsContact O-N 3.07Å; L117-R163 HydrophobicContact CB-CG 3.9Å; L117-R163 HydrophobicContact CD1-CG 4.49Å; L117-R163 PolarHBondContact O-NH1 3.19Å; L117-L180 HydrophobicContact CD1-CD1 3.67Å; L117-I193 HydrophobicContact CD1-CD1 4.21Å; L117-I193 HydrophobicContact CD1-CG2 4.16Å
118E92.5Very high84.4Confident133 Ų13393.5 Ų93.562%0.62148%0.479SS*.  trans-61.1139.5-177.2-175.7173174.300111.3R163 I164E118-R163 WeakPolarHBondContact O-CA 3.4Å; E118-I164 HydrophobicContact CB-CB 4.34Å; E118-I164 HydrophobicContact CG-CD1 4.28Å; E118-I164 PolarHBondContact O-N 2.94Å
119T92.1Very high82.6Confident70 Ų7091.8 Ų91.843%0.42949%0.49SS..EExtended strand (participates in β ladder)trans-119.512717555.10000110.1L162 R163T119-L162 CarbonylContact C-O 3.51Å; T119-L162 VanDerWaalsContact CA-O 3.22Å; T119-L162 WeakPolarHBondContact CA-O 3.49Å; T119-R163 HydrophobicContact CG2-CG 4.49Å; T119-R163 VanDerWaalsContact CG2-NH1 3.26Å
120R91.9Very high80.9Confident126 Ų12692.5 Ų92.548%0.47551%0.506SS..EExtended strand (participates in β ladder)trans-122.3129.1-174.1-179.8179.8179.1-160.31.8108.9Y122 L162 I164 E170R120-Y122 PolarHBondContact O-N 3.39Å; R120-L162 PolarHBondContact N-O 2.93Å; R120-L162 WeakPolarHBondContact O-CA 3.17Å; R120-L162 WeakPolarHBondContact O-CB 3.35Å; R120-L162 PolarHBondContact O-N 3.18Å; R120-I164 HydrophobicContact CB-CD1 4.2Å; R120-I164 HydrophobicContact CB-CG1 4.48Å; R120-E170 IonicContact CZ-OE1 2.76Å; R120-E170 IonicContact NH1-OE1 3.74Å; R120-E170 PolarHBondContact NH1-OE1 3.45Å; R120-E170 IonicContact NH1-OE2 2.68Å
121I91.3Very high78.9Confident95 Ų95101.7 Ų101.749%0.48755%0.549SS..EExtended strand (participates in β ladder)trans-76.1122.6169.3-62.6176.1000107.3Q160I121-Q160 WeakPolarHBondContact CA-O 3.49Å
122Y90.3Very high77.1Confident36 Ų36109.3 Ų109.314%0.14157%0.57CS.*  trans-66.1137175.2-174.1-104.2000110.3R120 P147 F156 Q157 G159 Q160 L162R120-Y122 PolarHBondContact O-N 3.39Å; Y122-P147 HydrophobicContact CE2-CG 3.56Å; Y122-F156 HydrophobicContact CD1-CB 3.74Å; Y122-F156 HydrophobicContact CD2-CB 3.8Å; Y122-F156 AromaticContact CD2-CD2 3.99Å; Y122-F156 HydrophobicContact CD2-CD2 3.99Å; Y122-F156 HydrophobicContact CD2-CG 4.35Å; Y122-F156 HydrophobicContact CE1-CB 3.91Å; Y122-F156 WeakPolarHBondContact CE1-O 2.99Å; Y122-F156 HydrophobicContact CE2-CB 4Å; Y122-F156 HydrophobicContact CE2-CD2 4.19Å; Y122-F156 HydrophobicContact CG-CB 3.67Å; Y122-Q157 WeakPolarHBondContact CD1-O 3.44Å; Y122-G159 PolarHBondContact O-N 2.99Å; Y122-Q160 PolarHBondContact N-O 2.96Å; Y122-L162 HydrophobicContact CD2-CD1 3.92Å; Y122-L162 HydrophobicContact CG-CD1 4.31Å
123R86.8Confident74.8Confident193 Ų193112 Ų11273%0.72859%0.588SS**  trans-125.5111.7169.8-63.6-169.3177.9161.60.6108.1Q125 E158R123-Q125 PolarHBondContact O-N 3.01Å; R123-E158 WeakPolarHBondContact CA-OE1 3.49Å; R123-E158 WeakPolarHBondContact CA-OE2 2.85Å; R123-E158 WeakPolarHBondContact CG-OE1 3.36Å
124S80.5Confident72.6Confident44 Ų44123.3 Ų123.331%0.30863%0.628SS.*  trans-61.3127167.668.50000108S126 E158S124-S126 PolarHBondContact O-N 2.94Å; S124-E158 WeakPolarHBondContact CA-OE2 3.35Å; S124-E158 WeakPolarHBondContact CB-OE2 3.29Å; S124-E158 PolarHBondContact N-OE2 2.68Å; S124-E158 PolarHBondContact OG-OE2 3.47Å
125Q71.9Confident70.1Confident193 Ų193126.3 Ų126.390%0.90266%0.661SS**  trans-8363-178.7-157.4156.817.200110.1R123 C127R123-Q125 PolarHBondContact O-N 3.01Å; Q125-C127 PolarHBondContact O-N 3.2Å; Q125-C127 VanDerWaalsContact O-N 3.11Å
126S60.9Low67.8Low89 Ų89127.7 Ų127.762%0.62267%0.667SS**  trans-55.3112.2-177.649.20000110.8S124 S128S124-S126 PolarHBondContact O-N 2.94Å; S126-S128 VanDerWaalsContact C-N 3.26Å; S126-S128 PolarHBondContact O-N 2.93Å
127C55.6Low65.4Low133 Ų133130.3 Ų130.390%0.89968%0.677SS**  trans-80.265.5-16750.10000113.2Q125Q125-C127 PolarHBondContact O-N 3.2Å; Q125-C127 VanDerWaalsContact O-N 3.11Å
128S54.1Low62.7Low114 Ų114132.6 Ų132.680%0.79771%0.706SS**  trans-96.894.2178-70.40000112.8S126S126-S128 VanDerWaalsContact C-N 3.26Å; S126-S128 PolarHBondContact O-N 2.93Å
129G50.7Low60.4Low70 Ų70132.3 Ų132.372%0.72272%0.718SS**  trans84.983.9148.800000119.1
130S55.3Low58Low111 Ų111133 Ų13378%0.77673%0.73SS**  trans45.2109139.7170.20000119.9
131Q48.3Very low55.8Low193 Ų193132.3 Ų132.390%0.90275%0.745SS**  -151.4162.1111-112.9176.838.400112.4
132R51.9Low53.6Low230 Ų230131.5 Ų131.587%0.86875%0.748SS**  trans-88.3143.2-168-58.6165.7174.7159.4-4.2111.5
133H44Very low51.2Low197 Ų197134.5 Ų134.591%0.91277%0.774SS**  trans-157.8169.6131.5-115.6-89000110.9
134R44.9Very low49.4Very low251 Ų251132 Ų13295%0.94778%0.775SS**  trans-94.6151.7-162-57.5179.9-178.2-133.46.4114.6
135G37.8Very low48.4Very low73 Ų73134.1 Ų134.175%0.75379%0.79SS**  trans150.185.4166.600000111
136A40.9Very low48.3Very low95 Ų95126.3 Ų126.379%0.78576%0.757SS**  83.491.972.800000113.8
137W40Very low49.3Very low269 Ų269124.7 Ų124.7100%1.01974%0.744SS**  trans54.3110.4158.3-60.3-19.8000120.6
138G35.5Very low51Low70 Ų70121.4 Ų121.472%0.72272%0.72SS**  trans-164.5130.1155.100000107.7A140G138-A140 PolarHBondContact O-N 3.4Å
139S43.5Very low52.8Low127 Ų127116 Ų11689%0.88868%0.682SS**  trans-70.491.7-168.6-60.80000112.5S141S139-S141 VanDerWaalsContact C-N 3.28Å; S139-S141 PolarHBondContact O-N 3.17Å
140A42.4Very low54.8Low83 Ų83114.8 Ų114.869%0.68667%0.665SS**  trans-72.980.6172.800000110.9G138 S142G138-A140 PolarHBondContact O-N 3.4Å; A140-S142 PolarHBondContact O-N 3.24Å
141S44.8Very low56.6Low113 Ų113112.5 Ų112.579%0.7964%0.644SS**  trans-65.774.3150.7-68.70000107.8S139 S143S139-S141 VanDerWaalsContact C-N 3.28Å; S139-S141 PolarHBondContact O-N 3.17Å; S141-S143 PolarHBondContact O-N 3.49Å
142S46.5Very low58.8Low78 Ų78105.4 Ų105.455%0.54562%0.615SS.*  trans-71.679.1-173.9-1100000110.5A140 N144A140-S142 PolarHBondContact O-N 3.24Å; S142-N144 WeakPolarHBondContact CB-OD1 3.33Å; S142-N144 PolarHBondContact O-N 3.38Å; S142-N144 PolarHBondContact OG-OD1 3.36Å
143S40Very low60.7Low98 Ų98101 Ų10169%0.68561%0.608SS**  trans-60.883.414555.50000107.2S141 S145S141-S143 PolarHBondContact O-N 3.49Å; S143-S145 PolarHBondContact O-N 3.09Å; S143-S145 PolarHBondContact O-OG 3.39Å
144N47.7Very low63Low140 Ų14096.6 Ų96.675%0.74959%0.588SS**  trans-72.539.3171.1-76-0000110.7S142 S146S142-N144 WeakPolarHBondContact CB-OD1 3.33Å; S142-N144 PolarHBondContact O-N 3.38Å; S142-N144 PolarHBondContact OG-OD1 3.36Å; N144-S146 PolarHBondContact O-N 3.08Å; N144-S146 VanDerWaalsContact O-N 3.09Å
145S59.3Low65.3Low89 Ų8990.4 Ų90.462%0.62257%0.57SS**  trans-60.1108.1154.150.20000106.6S143S143-S145 PolarHBondContact O-N 3.09Å; S143-S145 PolarHBondContact O-OG 3.39Å
146S70.6Confident67.8Low30 Ų3087.5 Ų87.521%0.2154%0.536CS..  trans-47149.4158.743.90000109.6N144 V148 E155N144-S146 PolarHBondContact O-N 3.08Å; N144-S146 VanDerWaalsContact O-N 3.09Å; S146-V148 WeakPolarHBondContact O-CG2 3.36Å; S146-V148 PolarHBondContact O-N 3.45Å; S146-E155 WeakPolarHBondContact CB-OE2 3.49Å; S146-E155 VanDerWaalsContact OG-CG 3.26Å; S146-E155 WeakPolarHBondContact OG-CG 3.45Å; S146-E155 PolarHBondContact OG-OE2 3.49Å
147P82.1Confident70Confident54 Ų5488.6 Ų88.635%0.35153%0.525SS..  trans-63.6126.4177.325.9-33.2000110.1Y122 F156Y122-P147 HydrophobicContact CE2-CG 3.56Å; P147-F156 HydrophobicContact CB-CD2 3.56Å; P147-F156 HydrophobicContact CB-CE2 3.78Å; P147-F156 HydrophobicContact CB-CG 4.48Å; P147-F156 HydrophobicContact CG-CB 4.42Å; P147-F156 HydrophobicContact CG-CD2 3.61Å; P147-F156 HydrophobicContact CG-CE2 4.31Å; P147-F156 HydrophobicContact CG-CG 4.37Å; P147-F156 WeakPolarHBondContact O-CD2 3.4Å; P147-F156 VanDerWaalsContact O-CG 3.25Å; P147-F156 WeakPolarHBondContact O-CG 3.34Å; P147-F156 PolarHBondContact O-N 3.29Å
148V90.1Very high72.3Confident65 Ų6580.7 Ų80.739%0.39450%0.499SS..BIsolated β-bridgetrans-107.8140.8-174.2179.80000110.2S146 A150 L153 E154 E155S146-V148 WeakPolarHBondContact O-CG2 3.36Å; S146-V148 PolarHBondContact O-N 3.45Å; V148-A150 PolarHBondContact O-N 3.35Å; V148-L153 VanDerWaalsContact CG1-C 3.42Å; V148-L153 WeakPolarHBondContact CG1-O 3.47Å; V148-E154 WeakPolarHBondContact CA-O 3.4Å; V148-E155 HydrophobicContact CG2-CG 4.34Å
149C93.7Very high74.7Confident0 Ų079.2 Ų79.20%049%0.485CS..  trans-73.5114.9169.5-168.90000111.1I151 C152 L153 E154 F156 H172C149-I151 PolarHBondContact O-N 3.37Å; C149-C152 VanDerWaalsContact CB-SG 3.57Å; C149-L153 WeakPolarHBondContact O-CA 3.39Å; C149-L153 PolarHBondContact O-N 2.98Å; C149-E154 PolarHBondContact N-O 2.79Å; C149-F156 HydrophobicContact CB-CD1 4.42Å; C149-F156 HydrophobicContact CB-CE1 3.7Å; C149-H172 WeakPolarHBondContact CB-ND1 3.4Å; C149-H172 PolarHBondContact SG-N 3.09Å
150A92.4Very high77Confident44 Ų4475.1 Ų75.136%0.36445%0.451SS..THydrogen-bonded Turntrans-70.417.2177.400000115.4V148 F171 L188V148-A150 PolarHBondContact O-N 3.35Å; A150-F171 HydrophobicContact CB-CE1 4.11Å; A150-L188 HydrophobicContact CB-CD1 3.94Å; A150-L188 HydrophobicContact CB-CD2 3.76Å; A150-L188 HydrophobicContact CB-CG 4.05Å
151I92.3Very high79.4Confident63 Ų6374.7 Ų74.732%0.32344%0.437SS..THydrogen-bonded Turntrans-112.6-51.5174.4-60.6168.5000111.2C149 F171 C175 V176 P187C149-I151 PolarHBondContact O-N 3.37Å; I151-F171 HydrophobicContact CD1-CB 4.37Å; I151-F171 HydrophobicContact CD1-CD1 3.58Å; I151-F171 HydrophobicContact CD1-CE1 4.12Å; I151-F171 HydrophobicContact CD1-CG 4.18Å; I151-F171 HydrophobicContact CG1-CD1 3.71Å; I151-F171 HydrophobicContact CG1-CE1 4Å; I151-C175 HydrophobicContact CB-CB 3.97Å; I151-C175 HydrophobicContact CD1-CB 3.99Å; I151-C175 HydrophobicContact CG2-CB 3.87Å; I151-V176 HydrophobicContact CD1-CB 3.75Å; I151-V176 HydrophobicContact CD1-CG2 3.91Å; I151-P187 HydrophobicContact CD1-CG 4.05Å; I151-P187 HydrophobicContact CG1-CG 4.21Å
152C93.9Very high81.7Confident44 Ų4469.3 Ų69.330%0.29740%0.4SS..THydrogen-bonded Turntrans-94.6-10.8175.159.20000113.9C149 E154 H172C149-C152 VanDerWaalsContact CB-SG 3.57Å; C152-E154 HydrophobicContact CB-CG 4.17Å; C152-E154 PolarHBondContact O-N 3.28Å; C152-H172 PolarHBondContact SG-ND1 3.46Å; C152-H172 VanDerWaalsContact SG-ND1 3.37Å
153L92.8Very high84Confident137 Ų13766 Ų6672%0.71738%0.375SS*.  trans63.516.8-174.7-48.8-180000114.6V148 C149V148-L153 VanDerWaalsContact CG1-C 3.42Å; V148-L153 WeakPolarHBondContact CG1-O 3.47Å; C149-L153 WeakPolarHBondContact O-CA 3.39Å; C149-L153 PolarHBondContact O-N 2.98Å
154E92.1Very high86.6Confident105 Ų10562.7 Ų62.749%0.49135%0.35SS..PPolyproline II helixtrans-89.3144.7175.4-59.7175.3-18000112.4V148 C149 C152V148-E154 WeakPolarHBondContact CA-O 3.4Å; C149-E154 PolarHBondContact N-O 2.79Å; C152-E154 HydrophobicContact CB-CG 4.17Å; C152-E154 PolarHBondContact O-N 3.28Å
155E92Very high88.7Confident122 Ų12256.1 Ų56.157%0.5732%0.315SS*.BIsolated β-bridgetrans-65.6143.8171.5-53.8-174.5-162.800111.8S146 V148 Q157S146-E155 WeakPolarHBondContact CB-OE2 3.49Å; S146-E155 VanDerWaalsContact OG-CG 3.26Å; S146-E155 WeakPolarHBondContact OG-CG 3.45Å; S146-E155 PolarHBondContact OG-OE2 3.49Å; V148-E155 HydrophobicContact CG2-CG 4.34Å; E155-Q157 PolarHBondContact O-N 2.96Å
156F91.2Very high90.2Very high11 Ų1155.1 Ų55.15%0.04831%0.308CS..PPolyproline II helixtrans-70128.6174.7-59.7-27.2000111.8Y122 P147 C149 L162 E170 H172Y122-F156 HydrophobicContact CD1-CB 3.74Å; Y122-F156 HydrophobicContact CD2-CB 3.8Å; Y122-F156 AromaticContact CD2-CD2 3.99Å; Y122-F156 HydrophobicContact CD2-CD2 3.99Å; Y122-F156 HydrophobicContact CD2-CG 4.35Å; Y122-F156 HydrophobicContact CE1-CB 3.91Å; Y122-F156 WeakPolarHBondContact CE1-O 2.99Å; Y122-F156 HydrophobicContact CE2-CB 4Å; Y122-F156 HydrophobicContact CE2-CD2 4.19Å; Y122-F156 HydrophobicContact CG-CB 3.67Å; P147-F156 HydrophobicContact CB-CD2 3.56Å; P147-F156 HydrophobicContact CB-CE2 3.78Å; P147-F156 HydrophobicContact CB-CG 4.48Å; P147-F156 HydrophobicContact CG-CB 4.42Å; P147-F156 HydrophobicContact CG-CD2 3.61Å; P147-F156 HydrophobicContact CG-CE2 4.31Å; P147-F156 HydrophobicContact CG-CG 4.37Å; P147-F156 WeakPolarHBondContact O-CD2 3.4Å; P147-F156 VanDerWaalsContact O-CG 3.25Å; P147-F156 WeakPolarHBondContact O-CG 3.34Å; P147-F156 PolarHBondContact O-N 3.29Å; C149-F156 HydrophobicContact CB-CD1 4.42Å; C149-F156 HydrophobicContact CB-CE1 3.7Å; F156-L162 HydrophobicContact CB-CD2 4.49Å; F156-L162 HydrophobicContact CD1-CD1 4.5Å; F156-L162 HydrophobicContact CD1-CD2 3.51Å; F156-L162 HydrophobicContact CD2-CD1 3.42Å; F156-L162 VanDerWaalsContact CD2-CD1 3.42Å; F156-L162 HydrophobicContact CD2-CD2 3.98Å; F156-L162 HydrophobicContact CD2-CG 4.35Å; F156-L162 HydrophobicContact CE1-CD1 4.5Å; F156-L162 HydrophobicContact CE1-CD2 3.51Å; F156-L162 HydrophobicContact CE2-CD1 3.48Å; F156-L162 VanDerWaalsContact CE2-CD1 3.48Å; F156-L162 HydrophobicContact CE2-CD2 4.03Å; F156-L162 HydrophobicContact CE2-CG 4.39Å; F156-L162 HydrophobicContact CG-CD1 4Å; F156-L162 HydrophobicContact CG-CD2 3.76Å; F156-L162 HydrophobicContact CZ-CD1 4.05Å; F156-L162 HydrophobicContact CZ-CD2 3.81Å; F156-E170 HydrophobicContact CE2-CB 4.14Å; F156-E170 HydrophobicContact CZ-CB 4.27Å; F156-H172 AromaticContact CD1-CE1 3.92Å; F156-H172 AromaticContact CD1-NE2 3.63Å
157Q87.4Confident91.2Very high118 Ų11855.1 Ų55.155%0.55131%0.307SS*.  trans-107.6154.4-178.7-50.6173.21600111.6Y122 E155 G159 Q160Y122-Q157 WeakPolarHBondContact CD1-O 3.44Å; E155-Q157 PolarHBondContact O-N 2.96Å; Q157-G159 PolarHBondContact O-N 3.2Å; Q157-Q160 HydrophobicContact CB-CG 4.03Å; Q157-Q160 WeakPolarHBondContact O-CB 3.37Å; Q157-Q160 WeakPolarHBondContact O-CG 3.28Å; Q157-Q160 PolarHBondContact O-N 2.78Å; Q157-Q160 VanDerWaalsContact O-N 3.12Å
158E87.9Confident91.6Very high103 Ų10356.4 Ų56.448%0.48132%0.322SS..THydrogen-bonded Turntrans-50128.6179-170.365.1-140.300112.2R123 S124 Q160R123-E158 WeakPolarHBondContact CA-OE1 3.49Å; R123-E158 WeakPolarHBondContact CA-OE2 2.85Å; R123-E158 WeakPolarHBondContact CG-OE1 3.36Å; S124-E158 WeakPolarHBondContact CA-OE2 3.35Å; S124-E158 WeakPolarHBondContact CB-OE2 3.29Å; S124-E158 PolarHBondContact N-OE2 2.68Å; S124-E158 PolarHBondContact OG-OE2 3.47Å; E158-Q160 VanDerWaalsContact C-N 3.3Å; E158-Q160 PolarHBondContact O-N 3.48Å
159G86.7Confident91.8Very high40 Ų4056.3 Ų56.341%0.41232%0.318SS..THydrogen-bonded Turntrans82.9-6177.500000115.6Y122 Q157Y122-G159 PolarHBondContact O-N 2.99Å; Q157-G159 PolarHBondContact O-N 3.2Å
160Q91.1Very high91.8Very high40 Ų4058.7 Ų58.719%0.18733%0.329CS..  trans-66.5143.2176.3-71.8-178.7-20.200112I121 Y122 Q157 E158 L162 H172I121-Q160 WeakPolarHBondContact CA-O 3.49Å; Y122-Q160 PolarHBondContact N-O 2.96Å; Q157-Q160 HydrophobicContact CB-CG 4.03Å; Q157-Q160 WeakPolarHBondContact O-CB 3.37Å; Q157-Q160 WeakPolarHBondContact O-CG 3.28Å; Q157-Q160 PolarHBondContact O-N 2.78Å; Q157-Q160 VanDerWaalsContact O-N 3.12Å; E158-Q160 VanDerWaalsContact C-N 3.3Å; E158-Q160 PolarHBondContact O-N 3.48Å; Q160-L162 PolarHBondContact O-N 3.06Å; Q160-H172 PolarHBondContact OE1-CD2 3.09Å; Q160-H172 PolarHBondContact OE1-NE2 2.92Å
161N93.1Very high92Very high74 Ų7456.6 Ų56.640%0.39631%0.311SS..EExtended strand (participates in β ladder)trans-86.7108.9178.8-72.9-84.3000110.4R173N161-R173 HydrophobicContact CB-CB 4.33Å; N161-R173 WeakPolarHBondContact O-CB 3.42Å; N161-R173 PolarHBondContact O-N 3.24Å
162L93.7Very high92.1Very high0 Ų054.3 Ų54.30%030%0.299CS..EExtended strand (participates in β ladder)trans-91153.6171.3-50.5-176.2000110.7T119 R120 Y122 F156 Q160 F171T119-L162 CarbonylContact C-O 3.51Å; T119-L162 VanDerWaalsContact CA-O 3.22Å; T119-L162 WeakPolarHBondContact CA-O 3.49Å; R120-L162 PolarHBondContact N-O 2.93Å; R120-L162 WeakPolarHBondContact O-CA 3.17Å; R120-L162 WeakPolarHBondContact O-CB 3.35Å; R120-L162 PolarHBondContact O-N 3.18Å; Y122-L162 HydrophobicContact CD2-CD1 3.92Å; Y122-L162 HydrophobicContact CG-CD1 4.31Å; F156-L162 HydrophobicContact CB-CD2 4.49Å; F156-L162 HydrophobicContact CD1-CD1 4.5Å; F156-L162 HydrophobicContact CD1-CD2 3.51Å; F156-L162 HydrophobicContact CD2-CD1 3.42Å; F156-L162 VanDerWaalsContact CD2-CD1 3.42Å; F156-L162 HydrophobicContact CD2-CD2 3.98Å; F156-L162 HydrophobicContact CD2-CG 4.35Å; F156-L162 HydrophobicContact CE1-CD1 4.5Å; F156-L162 HydrophobicContact CE1-CD2 3.51Å; F156-L162 HydrophobicContact CE2-CD1 3.48Å; F156-L162 VanDerWaalsContact CE2-CD1 3.48Å; F156-L162 HydrophobicContact CE2-CD2 4.03Å; F156-L162 HydrophobicContact CE2-CG 4.39Å; F156-L162 HydrophobicContact CG-CD1 4Å; F156-L162 HydrophobicContact CG-CD2 3.76Å; F156-L162 HydrophobicContact CZ-CD1 4.05Å; F156-L162 HydrophobicContact CZ-CD2 3.81Å; Q160-L162 PolarHBondContact O-N 3.06Å; L162-F171 CarbonylContact C-O 3.46Å; L162-F171 WeakPolarHBondContact CA-O 3.49Å
163R94.3Very high92.1Very high8 Ų857.1 Ų57.13%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-118.4135.5165.3-176.1-179.7-60.7-77.414109.8I114 L117 E118 T119 E170 F171 R173 V176 D177I114-R163 PolarHBondContact O-NH1 2.89Å; L117-R163 HydrophobicContact CB-CG 3.9Å; L117-R163 HydrophobicContact CD1-CG 4.49Å; L117-R163 PolarHBondContact O-NH1 3.19Å; E118-R163 WeakPolarHBondContact O-CA 3.4Å; T119-R163 HydrophobicContact CG2-CG 4.49Å; T119-R163 VanDerWaalsContact CG2-NH1 3.26Å; R163-E170 WeakPolarHBondContact O-CA 3.48Å; R163-F171 PolarHBondContact N-O 3.39Å; R163-F171 PolarHBondContact O-N 3.1Å; R163-F171 VanDerWaalsContact O-N 3.08Å; R163-R173 HydrophobicContact CB-CB 4.43Å; R163-V176 HydrophobicContact CB-CG1 3.93Å; R163-V176 HydrophobicContact CG-CG1 4.47Å; R163-D177 IonicContact CZ-OD1 3.87Å; R163-D177 IonicContact CZ-OD2 2.85Å; R163-D177 IonicContact NE-OD1 3.82Å; R163-D177 PolarHBondContact NE-OD1 3.21Å; R163-D177 IonicContact NE-OD2 3.86Å; R163-D177 VanDerWaalsContact NH2-CG 3.33Å; R163-D177 IonicContact NH2-OD1 2.75Å; R163-D177 PolarHBondContact NH2-OD1 3.4Å; R163-D177 IonicContact NH2-OD2 2.72Å; R163-D177 PolarHBondContact NH2-OD2 3.35Å
164I93.3Very high92.2Very high29 Ų2956.4 Ų56.415%0.14930%0.301CS..EExtended strand (participates in β ladder)trans-100.7120.3176-42.6-174.6000107.7E118 R120 E170E118-I164 HydrophobicContact CB-CB 4.34Å; E118-I164 HydrophobicContact CG-CD1 4.28Å; E118-I164 PolarHBondContact O-N 2.94Å; R120-I164 HydrophobicContact CB-CD1 4.2Å; R120-I164 HydrophobicContact CB-CG1 4.48Å; I164-E170 HydrophobicContact CG1-CG 4.19Å
165I93.3Very high92.3Very high3 Ų353.2 Ų53.22%0.01529%0.289CS..  trans-76157.9175.5-54.5-174.9000109.2C167 A168 H169 F171 V176 L180 C186 I193I165-C167 VanDerWaalsContact CG2-SG 3.58Å; I165-C167 PolarHBondContact O-N 2.92Å; I165-A168 WeakPolarHBondContact O-CA 3.25Å; I165-A168 PolarHBondContact O-N 2.16Å; I165-H169 PolarHBondContact N-O 3.23Å; I165-F171 HydrophobicContact CD1-CD2 3.85Å; I165-F171 HydrophobicContact CD1-CE2 3.5Å; I165-F171 VanDerWaalsContact CD1-CE2 3.5Å; I165-F171 HydrophobicContact CD1-CZ 4.47Å; I165-F171 HydrophobicContact CG1-CD2 4.19Å; I165-F171 HydrophobicContact CG1-CE2 4.16Å; I165-V176 HydrophobicContact CD1-CG2 4.01Å; I165-L180 HydrophobicContact CD1-CD1 4.41Å; I165-L180 HydrophobicContact CD1-CD2 4.32Å; I165-C186 HydrophobicContact CD1-CB 3.89Å; I165-C186 HydrophobicContact CG2-CB 4.3Å; I165-I193 HydrophobicContact CG2-CG2 3.66Å
166S90Very high92.5Very high68 Ų6847.4 Ų47.448%0.47626%0.262SS..THydrogen-bonded Turntrans-53.5-14.4174.749.90000115.4H191S166-H191 PolarHBondContact OG-CD2 3.23Å; S166-H191 PolarHBondContact OG-NE2 3.4Å
167C92.4Very high92.6Very high29 Ų2948.2 Ų48.220%0.19627%0.267CS..THydrogen-bonded Turntrans-9924.8171.159.30000113.9I165 H169 C186 C189 H191I165-C167 VanDerWaalsContact CG2-SG 3.58Å; I165-C167 PolarHBondContact O-N 2.92Å; C167-H169 PolarHBondContact O-N 3.3Å; C167-H169 PolarHBondContact O-ND1 3.34Å; C167-H169 PolarHBondContact SG-ND1 3.16Å; C167-H169 VanDerWaalsContact SG-ND1 3.42Å; C167-C186 VanDerWaalsContact SG-CB 3.58Å; C167-C186 VanDerWaalsContact SG-SG 3.7Å; C167-C189 PolarHBondContact SG-SG 2.81Å; C167-H191 HydrophobicContact CB-CB 3.84Å
168A90.9Very high93Very high81 Ų8146.5 Ų46.567%0.66927%0.266SS*.SBendtrans59.46.6177.600000117.6I165I165-A168 WeakPolarHBondContact O-CA 3.25Å; I165-A168 PolarHBondContact O-N 2.16Å
169H92.9Very high93.3Very high64 Ų6446.4 Ų46.430%0.29626%0.261SS..  trans-77.4129.9174.9-68.283.9000111I165 C167 F171 L188 C189I165-H169 PolarHBondContact N-O 3.23Å; C167-H169 PolarHBondContact O-N 3.3Å; C167-H169 PolarHBondContact O-ND1 3.34Å; C167-H169 PolarHBondContact SG-ND1 3.16Å; C167-H169 VanDerWaalsContact SG-ND1 3.42Å; H169-F171 HydrophobicContact CB-CD2 4.49Å; H169-F171 HydrophobicContact CB-CE2 3.65Å; H169-F171 HydrophobicContact CB-CZ 4.26Å; H169-L188 HydrophobicContact CB-CD1 4.5Å; H169-L188 VanDerWaalsContact CD2-CD1 3.45Å; H169-L188 WeakPolarHBondContact CD2-CD1 3.16Å; H169-C189 VanDerWaalsContact CE1-SG 3.52Å
170E94.1Very high93.6Very high50 Ų5044.5 Ų44.523%0.23424%0.242CC..EExtended strand (participates in β ladder)trans-96.3139.8178.2-56-165.5146.800111.7R120 F156 R163 I164R120-E170 IonicContact CZ-OE1 2.76Å; R120-E170 IonicContact NH1-OE1 3.74Å; R120-E170 PolarHBondContact NH1-OE1 3.45Å; R120-E170 IonicContact NH1-OE2 2.68Å; F156-E170 HydrophobicContact CE2-CB 4.14Å; F156-E170 HydrophobicContact CZ-CB 4.27Å; R163-E170 WeakPolarHBondContact O-CA 3.48Å; I164-E170 HydrophobicContact CG1-CG 4.19Å
171F95.6Very high93.6Very high0 Ų045.2 Ų45.20%025%0.246CC..EExtended strand (participates in β ladder)trans-145.5161.9174.9-59-96.3000109.8A150 I151 L162 R163 I165 H169 R173 V176 P187 L188A150-F171 HydrophobicContact CB-CE1 4.11Å; I151-F171 HydrophobicContact CD1-CB 4.37Å; I151-F171 HydrophobicContact CD1-CD1 3.58Å; I151-F171 HydrophobicContact CD1-CE1 4.12Å; I151-F171 HydrophobicContact CD1-CG 4.18Å; I151-F171 HydrophobicContact CG1-CD1 3.71Å; I151-F171 HydrophobicContact CG1-CE1 4Å; L162-F171 CarbonylContact C-O 3.46Å; L162-F171 WeakPolarHBondContact CA-O 3.49Å; R163-F171 PolarHBondContact N-O 3.39Å; R163-F171 PolarHBondContact O-N 3.1Å; R163-F171 VanDerWaalsContact O-N 3.08Å; I165-F171 HydrophobicContact CD1-CD2 3.85Å; I165-F171 HydrophobicContact CD1-CE2 3.5Å; I165-F171 VanDerWaalsContact CD1-CE2 3.5Å; I165-F171 HydrophobicContact CD1-CZ 4.47Å; I165-F171 HydrophobicContact CG1-CD2 4.19Å; I165-F171 HydrophobicContact CG1-CE2 4.16Å; H169-F171 HydrophobicContact CB-CD2 4.49Å; H169-F171 HydrophobicContact CB-CE2 3.65Å; H169-F171 HydrophobicContact CB-CZ 4.26Å; F171-R173 PolarHBondContact O-N 3.21Å; F171-V176 HydrophobicContact CB-CB 3.74Å; F171-V176 HydrophobicContact CB-CG1 4.02Å; F171-V176 HydrophobicContact CB-CG2 4.11Å; F171-V176 HydrophobicContact CD2-CB 4.49Å; F171-V176 HydrophobicContact CD2-CG2 3.93Å; F171-V176 HydrophobicContact CE2-CG2 4.49Å; F171-V176 HydrophobicContact CG-CB 4.14Å; F171-V176 HydrophobicContact CG-CG2 3.97Å; F171-P187 HydrophobicContact CE1-CB 4.04Å; F171-P187 HydrophobicContact CE1-CG 3.82Å; F171-P187 HydrophobicContact CZ-CB 4.08Å; F171-P187 HydrophobicContact CZ-CG 3.81Å; F171-L188 HydrophobicContact CE1-CD1 4.03Å; F171-L188 HydrophobicContact CE1-CG 4.2Å; F171-L188 HydrophobicContact CZ-CB 4.42Å; F171-L188 HydrophobicContact CZ-CD1 3.68Å; F171-L188 HydrophobicContact CZ-CG 3.87Å
172H95.4Very high93.5Very high15 Ų1548.1 Ų48.17%0.06926%0.257CS..EExtended strand (participates in β ladder)trans-58.5134162.8-61.4114.8000110C149 C152 F156 Q160 D174 C175 V176C149-H172 WeakPolarHBondContact CB-ND1 3.4Å; C149-H172 PolarHBondContact SG-N 3.09Å; C152-H172 PolarHBondContact SG-ND1 3.46Å; C152-H172 VanDerWaalsContact SG-ND1 3.37Å; F156-H172 AromaticContact CD1-CE1 3.92Å; F156-H172 AromaticContact CD1-NE2 3.63Å; Q160-H172 PolarHBondContact OE1-CD2 3.09Å; Q160-H172 PolarHBondContact OE1-NE2 2.92Å; H172-D174 VanDerWaalsContact C-N 3.29Å; H172-D174 PolarHBondContact O-N 3.02Å; H172-C175 HydrophobicContact CB-CB 4.08Å; H172-C175 PolarHBondContact O-N 3.45Å; H172-V176 WeakPolarHBondContact O-CG1 3.13Å; H172-V176 PolarHBondContact O-N 3.3Å
173R94.5Very high93.3Very high102 Ų10252.5 Ų52.539%0.38528%0.277SS..Hα-helixtrans-53.7-48178.8176.7178.5171.5-178.8-9.2111.6N161 R163 F171 C175 V176 D177N161-R173 HydrophobicContact CB-CB 4.33Å; N161-R173 WeakPolarHBondContact O-CB 3.42Å; N161-R173 PolarHBondContact O-N 3.24Å; R163-R173 HydrophobicContact CB-CB 4.43Å; F171-R173 PolarHBondContact O-N 3.21Å; R173-C175 VanDerWaalsContact C-N 3.26Å; R173-C175 PolarHBondContact O-N 2.9Å; R173-V176 PolarHBondContact O-N 3.36Å; R173-D177 VanDerWaalsContact CG-OD2 3.3Å; R173-D177 WeakPolarHBondContact CG-OD2 3.39Å; R173-D177 IonicContact NE-OD2 2.99Å; R173-D177 PolarHBondContact NE-OD2 3.12Å; R173-D177 VanDerWaalsContact NE-OD2 3.13Å; R173-D177 WeakPolarHBondContact O-CB 3.5Å; R173-D177 VanDerWaalsContact O-CG 3.32Å; R173-D177 PolarHBondContact O-N 3.26Å
174D94.4Very high93.3Very high123 Ų12355.1 Ų55.166%0.65829%0.287SS*.Hα-helixtrans-72-21.6-173.5-52.1-63.6000112.8H172 P178H172-D174 VanDerWaalsContact C-N 3.29Å; H172-D174 PolarHBondContact O-N 3.02Å; D174-P178 WeakPolarHBondContact O-CD 3.48Å; D174-P178 WeakPolarHBondContact O-CG 3.38Å
175C94.5Very high93.4Very high37 Ų3754.9 Ų54.925%0.2529%0.287CS..Hα-helixtrans-80.7-38.6171.8-67.40000112.5I151 H172 R173I151-C175 HydrophobicContact CB-CB 3.97Å; I151-C175 HydrophobicContact CD1-CB 3.99Å; I151-C175 HydrophobicContact CG2-CB 3.87Å; H172-C175 HydrophobicContact CB-CB 4.08Å; H172-C175 PolarHBondContact O-N 3.45Å; R173-C175 VanDerWaalsContact C-N 3.26Å; R173-C175 PolarHBondContact O-N 2.9Å
176V95.1Very high93.4Very high0 Ų054.8 Ų54.80%029%0.287CS..Hα-helixtrans-93.2-26.2-171.7800000114.2I151 R163 I165 F171 H172 R173 W179 L180 P187I151-V176 HydrophobicContact CD1-CB 3.75Å; I151-V176 HydrophobicContact CD1-CG2 3.91Å; R163-V176 HydrophobicContact CB-CG1 3.93Å; R163-V176 HydrophobicContact CG-CG1 4.47Å; I165-V176 HydrophobicContact CD1-CG2 4.01Å; F171-V176 HydrophobicContact CB-CB 3.74Å; F171-V176 HydrophobicContact CB-CG1 4.02Å; F171-V176 HydrophobicContact CB-CG2 4.11Å; F171-V176 HydrophobicContact CD2-CB 4.49Å; F171-V176 HydrophobicContact CD2-CG2 3.93Å; F171-V176 HydrophobicContact CE2-CG2 4.49Å; F171-V176 HydrophobicContact CG-CB 4.14Å; F171-V176 HydrophobicContact CG-CG2 3.97Å; H172-V176 WeakPolarHBondContact O-CG1 3.13Å; H172-V176 PolarHBondContact O-N 3.3Å; R173-V176 PolarHBondContact O-N 3.36Å; V176-W179 PolarHBondContact O-N 3.07Å; V176-L180 HydrophobicContact CG1-CD1 4.41Å; V176-L180 HydrophobicContact CG2-CD1 3.98Å; V176-L180 HydrophobicContact CG2-CG 4.06Å; V176-L180 WeakPolarHBondContact O-CB 3.35Å; V176-L180 WeakPolarHBondContact O-CG 3.3Å; V176-L180 PolarHBondContact O-N 3.25Å; V176-P187 HydrophobicContact CG2-CG 4.47Å
177D94.5Very high93.6Very high28 Ų2853.3 Ų53.315%0.1528%0.276CS..Hα-helixtrans-58.3-46.6176.1-78.9-0.6000112I114 R163 R173 W179 L180 M181I114-D177 VanDerWaalsContact CG2-OD1 3.27Å; I114-D177 WeakPolarHBondContact CG2-OD1 3.29Å; R163-D177 IonicContact CZ-OD1 3.87Å; R163-D177 IonicContact CZ-OD2 2.85Å; R163-D177 IonicContact NE-OD1 3.82Å; R163-D177 PolarHBondContact NE-OD1 3.21Å; R163-D177 IonicContact NE-OD2 3.86Å; R163-D177 VanDerWaalsContact NH2-CG 3.33Å; R163-D177 IonicContact NH2-OD1 2.75Å; R163-D177 PolarHBondContact NH2-OD1 3.4Å; R163-D177 IonicContact NH2-OD2 2.72Å; R163-D177 PolarHBondContact NH2-OD2 3.35Å; R173-D177 VanDerWaalsContact CG-OD2 3.3Å; R173-D177 WeakPolarHBondContact CG-OD2 3.39Å; R173-D177 IonicContact NE-OD2 2.99Å; R173-D177 PolarHBondContact NE-OD2 3.12Å; R173-D177 VanDerWaalsContact NE-OD2 3.13Å; R173-D177 WeakPolarHBondContact O-CB 3.5Å; R173-D177 VanDerWaalsContact O-CG 3.32Å; R173-D177 PolarHBondContact O-N 3.26Å; D177-W179 PolarHBondContact O-N 3.15Å; D177-L180 PolarHBondContact O-N 3.06Å; D177-M181 WeakPolarHBondContact O-CG 3.44Å; D177-M181 PolarHBondContact O-N 2.95Å
178P94.5Very high93.6Very high83 Ų8356.7 Ų56.754%0.53929%0.291SS..Hα-helixtrans-61.3-41.7174.9-23.434.6000113.4D174 M181 Q182D174-P178 WeakPolarHBondContact O-CD 3.48Å; D174-P178 WeakPolarHBondContact O-CG 3.38Å; P178-M181 PolarHBondContact O-N 3.43Å; P178-Q182 PolarHBondContact O-N 3.28Å
179W94.1Very high93.7Very high100 Ų10055.6 Ų55.638%0.37928%0.278SS..Hα-helixtrans-63.1-46.8178.2177.2-84.9000111.8V176 D177 M181 Q182 H183 T185 P187V176-W179 PolarHBondContact O-N 3.07Å; D177-W179 PolarHBondContact O-N 3.15Å; W179-M181 VanDerWaalsContact C-N 3.31Å; W179-M181 PolarHBondContact O-N 3.2Å; W179-Q182 PolarHBondContact O-N 3.05Å; W179-H183 AromaticContact CD2-CD2 3.78Å; W179-H183 AromaticContact CE2-CD2 3.92Å; W179-H183 AromaticContact CE3-CD2 3.89Å; W179-H183 HydrophobicContact CZ2-CB 4.46Å; W179-H183 PolarHBondContact O-N 2.83Å; W179-T185 PolarHBondContact NE1-O 2.98Å; W179-P187 HydrophobicContact CD2-CG 4.2Å; W179-P187 HydrophobicContact CG-CG 4.04Å
180L94.1Very high93.6Very high0 Ų059.6 Ų59.60%030%0.298CS..Hα-helixtrans-67.4-31.5-180-70.1173.4000112.5T110 I114 L117 I165 V176 D177 Q182 R184 T185 I193T110-L180 WeakPolarHBondContact CG2-O 3.33Å; I114-L180 HydrophobicContact CD1-CB 3.58Å; I114-L180 HydrophobicContact CG1-CB 3.79Å; I114-L180 HydrophobicContact CG1-CD1 4.33Å; L117-L180 HydrophobicContact CD1-CD1 3.67Å; I165-L180 HydrophobicContact CD1-CD1 4.41Å; I165-L180 HydrophobicContact CD1-CD2 4.32Å; V176-L180 HydrophobicContact CG1-CD1 4.41Å; V176-L180 HydrophobicContact CG2-CD1 3.98Å; V176-L180 HydrophobicContact CG2-CG 4.06Å; V176-L180 WeakPolarHBondContact O-CB 3.35Å; V176-L180 WeakPolarHBondContact O-CG 3.3Å; V176-L180 PolarHBondContact O-N 3.25Å; D177-L180 PolarHBondContact O-N 3.06Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 2.96Å; L180-R184 VanDerWaalsContact O-CA 3.24Å; L180-R184 WeakPolarHBondContact O-CA 3.26Å; L180-R184 PolarHBondContact O-N 2.82Å; L180-T185 WeakPolarHBondContact CD2-O 3.43Å; L180-I193 HydrophobicContact CB-CD1 4.19Å; L180-I193 HydrophobicContact CD1-CD1 4.38Å; L180-I193 HydrophobicContact CD2-CD1 4.15Å; L180-I193 HydrophobicContact CD2-CG1 4.49Å; L180-I193 HydrophobicContact CD2-CG2 3.81Å; L180-I193 HydrophobicContact CG-CD1 4.48Å
181M91.7Very high93.4Very high55 Ų5559.7 Ų59.727%0.27130%0.299SS..Hα-helixtrans-62.7-35.9173.6-75.9-68.3-73.700112.7H107 T110 V111 I114 D177 P178 W179H107-M181 WeakPolarHBondContact CE1-CE 3.21Å; T110-M181 HydrophobicContact CG2-SD 4.25Å; V111-M181 HydrophobicContact CG2-CE 3.54Å; V111-M181 HydrophobicContact CG2-SD 3.58Å; V111-M181 VanDerWaalsContact CG2-SD 3.58Å; I114-M181 HydrophobicContact CD1-CB 4.48Å; I114-M181 HydrophobicContact CD1-CG 3.65Å; I114-M181 HydrophobicContact CD1-SD 3.64Å; D177-M181 WeakPolarHBondContact O-CG 3.44Å; D177-M181 PolarHBondContact O-N 2.95Å; P178-M181 PolarHBondContact O-N 3.43Å; W179-M181 VanDerWaalsContact C-N 3.31Å; W179-M181 PolarHBondContact O-N 3.2Å
182Q89.8Confident93.2Very high135 Ų13563.2 Ų63.263%0.63132%0.318SS*.Hα-helixtrans-87.4-52.8-179.5-175.763.312.200112.6P178 W179 L180P178-Q182 PolarHBondContact O-N 3.28Å; W179-Q182 PolarHBondContact O-N 3.05Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 2.96Å
183H90.7Very high92.9Very high92 Ų9263.4 Ų63.443%0.42632%0.319SS..Hα-helixtrans-99.5-24.9-168.9-61.8-80.3000114W179 T185W179-H183 AromaticContact CD2-CD2 3.78Å; W179-H183 AromaticContact CE2-CD2 3.92Å; W179-H183 AromaticContact CE3-CD2 3.89Å; W179-H183 HydrophobicContact CZ2-CB 4.46Å; W179-H183 PolarHBondContact O-N 2.83Å; H183-T185 PolarHBondContact O-N 3.23Å
184R93.9Very high92.5Very high64 Ų6462 Ų6224%0.24232%0.317CS..  trans6016.1-177.3-42.7-176.7-17175.915114.8T110 L180 N192 I193 M194T110-R184 HydrophobicContact CG2-CG 3.85Å; T110-R184 WeakPolarHBondContact OG1-CD 3.3Å; T110-R184 PolarHBondContact OG1-NE 3.3Å; L180-R184 VanDerWaalsContact O-CA 3.24Å; L180-R184 WeakPolarHBondContact O-CA 3.26Å; L180-R184 PolarHBondContact O-N 2.82Å; R184-N192 WeakPolarHBondContact O-CA 3.32Å; R184-N192 PolarHBondContact O-OD1 3.29Å; R184-I193 HydrophobicContact CB-CG1 4.38Å; R184-I193 WeakPolarHBondContact O-CG1 3.26Å; R184-I193 PolarHBondContact O-N 2.89Å; R184-M194 HydrophobicContact CB-CG 4.09Å; R184-M194 HydrophobicContact CG-CG 4.43Å
185T94.6Very high91.4Very high24 Ų2458.3 Ų58.315%0.14731%0.309CS..BIsolated β-bridgetrans-127.1150.3-175.151.70000111.5W179 L180 H183 M190 H191 N192W179-T185 PolarHBondContact NE1-O 2.98Å; L180-T185 WeakPolarHBondContact CD2-O 3.43Å; H183-T185 PolarHBondContact O-N 3.23Å; T185-M190 WeakPolarHBondContact CB-O 3.24Å; T185-M190 WeakPolarHBondContact CG2-O 3.19Å; T185-H191 CarbonylContact C-O 3.52Å; T185-H191 VanDerWaalsContact CA-O 3.28Å; T185-H191 WeakPolarHBondContact CA-O 3.49Å; T185-N192 HydrophobicContact CG2-CB 4.23Å
186C94.3Very high89.3Confident0 Ų063.5 Ų63.50%033%0.334CS..  trans-61.7130.3171.1178.50000111I165 C167 L188 M190 H191I165-C186 HydrophobicContact CD1-CB 3.89Å; I165-C186 HydrophobicContact CG2-CB 4.3Å; C167-C186 VanDerWaalsContact SG-CB 3.58Å; C167-C186 VanDerWaalsContact SG-SG 3.7Å; C186-L188 PolarHBondContact O-N 3.19Å; C186-L188 PolarHBondContact SG-N 2.91Å; C186-L188 VanDerWaalsContact SG-N 3.43Å; C186-M190 VanDerWaalsContact O-CA 3.23Å; C186-M190 WeakPolarHBondContact O-CA 3.41Å; C186-M190 PolarHBondContact O-N 2.56Å; C186-H191 HydrophobicContact CB-CB 4.47Å; C186-H191 PolarHBondContact N-O 2.98Å
187P94.2Very high87Confident38 Ų3869 Ų6925%0.24737%0.373CS..THydrogen-bonded Turntrans-54.7-35.2174.6-24.930.7000114.2I151 F171 V176 W179I151-P187 HydrophobicContact CD1-CG 4.05Å; I151-P187 HydrophobicContact CG1-CG 4.21Å; F171-P187 HydrophobicContact CE1-CB 4.04Å; F171-P187 HydrophobicContact CE1-CG 3.82Å; F171-P187 HydrophobicContact CZ-CB 4.08Å; F171-P187 HydrophobicContact CZ-CG 3.81Å; V176-P187 HydrophobicContact CG2-CG 4.47Å; W179-P187 HydrophobicContact CD2-CG 4.2Å; W179-P187 HydrophobicContact CG-CG 4.04Å
188L92Very high84.6Confident100 Ų10071.2 Ų71.252%0.52440%0.402SS..THydrogen-bonded Turntrans-88-32.9-171.9-73.6169.8000114.7A150 H169 F171 C186A150-L188 HydrophobicContact CB-CD1 3.94Å; A150-L188 HydrophobicContact CB-CD2 3.76Å; A150-L188 HydrophobicContact CB-CG 4.05Å; H169-L188 HydrophobicContact CB-CD1 4.5Å; H169-L188 VanDerWaalsContact CD2-CD1 3.45Å; H169-L188 WeakPolarHBondContact CD2-CD1 3.16Å; F171-L188 HydrophobicContact CE1-CD1 4.03Å; F171-L188 HydrophobicContact CE1-CG 4.2Å; F171-L188 HydrophobicContact CZ-CB 4.42Å; F171-L188 HydrophobicContact CZ-CD1 3.68Å; F171-L188 HydrophobicContact CZ-CG 3.87Å; C186-L188 PolarHBondContact O-N 3.19Å; C186-L188 PolarHBondContact SG-N 2.91Å; C186-L188 VanDerWaalsContact SG-N 3.43Å
189C92Very high81.9Confident58 Ų5873.2 Ų73.239%0.39241%0.413SS..THydrogen-bonded Turntrans-133.28.7-174.263.40000114.6C167 H169 H191C167-C189 PolarHBondContact SG-SG 2.81Å; H169-C189 VanDerWaalsContact CE1-SG 3.52Å; C189-H191 PolarHBondContact O-N 3.27Å
190M91.1Very high79.3Confident147 Ų14776.9 Ų76.972%0.72443%0.434SS*.  trans565.8-179.5-51.2-164.982.900116.6T185 C186 N192T185-M190 WeakPolarHBondContact CB-O 3.24Å; T185-M190 WeakPolarHBondContact CG2-O 3.19Å; C186-M190 VanDerWaalsContact O-CA 3.23Å; C186-M190 WeakPolarHBondContact O-CA 3.41Å; C186-M190 PolarHBondContact O-N 2.56Å; M190-N192 PolarHBondContact O-N 2.88Å
191H90.9Very high76.7Confident52 Ų5288 Ų8824%0.24148%0.476CS..  trans-57.3130.1177.7175.588.2000111.7S166 C167 T185 C186 C189S166-H191 PolarHBondContact OG-CD2 3.23Å; S166-H191 PolarHBondContact OG-NE2 3.4Å; C167-H191 HydrophobicContact CB-CB 3.84Å; T185-H191 CarbonylContact C-O 3.52Å; T185-H191 VanDerWaalsContact CA-O 3.28Å; T185-H191 WeakPolarHBondContact CA-O 3.49Å; C186-H191 HydrophobicContact CB-CB 4.47Å; C186-H191 PolarHBondContact N-O 2.98Å; C189-H191 PolarHBondContact O-N 3.27Å
192N91.1Very high74Confident74 Ų7492.6 Ų92.640%0.39650%0.497SS..BIsolated β-bridgetrans-91.3119.2-169.7-175.5-22.4000112.3R184 T185 M190 M194 G195R184-N192 WeakPolarHBondContact O-CA 3.32Å; R184-N192 PolarHBondContact O-OD1 3.29Å; T185-N192 HydrophobicContact CG2-CB 4.23Å; M190-N192 PolarHBondContact O-N 2.88Å; N192-M194 PolarHBondContact O-N 3.03Å; N192-M194 VanDerWaalsContact O-N 3.13Å; N192-M194 VanDerWaalsContact OD1-CB 3.3Å; N192-M194 WeakPolarHBondContact OD1-CB 3.24Å; N192-M194 PolarHBondContact OD1-N 3.39Å; N192-G195 PolarHBondContact O-N 3.09Å
193I89.6Confident71.8Confident20 Ų2092.3 Ų92.310%0.10351%0.507CS..THydrogen-bonded Turntrans-69.8-10.9-175.171163.9000114A113 I114 L117 I165 L180 R184A113-I193 HydrophobicContact CB-CD1 3.97Å; A113-I193 HydrophobicContact CB-CG1 4.25Å; I114-I193 HydrophobicContact CG1-CD1 3.54Å; L117-I193 HydrophobicContact CD1-CD1 4.21Å; L117-I193 HydrophobicContact CD1-CG2 4.16Å; I165-I193 HydrophobicContact CG2-CG2 3.66Å; L180-I193 HydrophobicContact CB-CD1 4.19Å; L180-I193 HydrophobicContact CD1-CD1 4.38Å; L180-I193 HydrophobicContact CD2-CD1 4.15Å; L180-I193 HydrophobicContact CD2-CG1 4.49Å; L180-I193 HydrophobicContact CD2-CG2 3.81Å; L180-I193 HydrophobicContact CG-CD1 4.48Å; R184-I193 HydrophobicContact CB-CG1 4.38Å; R184-I193 WeakPolarHBondContact O-CG1 3.26Å; R184-I193 PolarHBondContact O-N 2.89Å
194M85.6Confident69.4Low71 Ų7196.9 Ų96.935%0.3553%0.528SS..THydrogen-bonded Turntrans-90.4-11.5-179.2-58.6-78.1-69.900113.1Q109 A113 R184 N192Q109-M194 HydrophobicContact CB-CE 3.66Å; A113-M194 HydrophobicContact CB-SD 3.82Å; R184-M194 HydrophobicContact CB-CG 4.09Å; R184-M194 HydrophobicContact CG-CG 4.43Å; N192-M194 PolarHBondContact O-N 3.03Å; N192-M194 VanDerWaalsContact O-N 3.13Å; N192-M194 VanDerWaalsContact OD1-CB 3.3Å; N192-M194 WeakPolarHBondContact OD1-CB 3.24Å; N192-M194 PolarHBondContact OD1-N 3.39Å
195G70.4Confident66.8Low47 Ų47105 Ų10549%0.48556%0.559SS.*  trans-141.1102.2-167.800000113.8N192N192-G195 PolarHBondContact O-N 3.09Å
196N52.2Low64Low145 Ų145111 Ų11178%0.77559%0.59SS**  trans-144.885.3162.5-152.449000111.5
197S46Very low61.3Low117 Ų117121 Ų12182%0.81863%0.628SS**SBendtrans-147.280.3169.862.70000110.5
198G44.9Very low58.5Low73 Ų73126.4 Ų126.475%0.75366%0.655SS**SBendtrans71.171.9163.400000116.8
199T37.3Very low56Low126 Ų126129.6 Ų129.677%0.77367%0.667SS**  trans-146.986.1149.6-43.40000110.3R201T199-R201 PolarHBondContact O-N 3.38Å
200E38.4Very low53.4Low176 Ų176136.1 Ų136.182%0.82269%0.692SS**  trans-65.2105167.6-66.1-175.2127.500109.5Q202E200-Q202 VanDerWaalsContact C-N 3.25Å; E200-Q202 PolarHBondContact O-N 2.72Å; E200-Q202 VanDerWaalsContact O-N 3.16Å
201R40.2Very low50.5Low235 Ų235134.6 Ų134.689%0.88770%0.695SS**  trans-82.677.6160-74.6-169.2175.3-166.9-1.2109T199T199-R201 PolarHBondContact O-N 3.38Å
202Q35.1Very low47.7Very low151 Ų151137.6 Ų137.671%0.70672%0.723SS**  trans-57.4141.3157.9-77.5-167.7-2.200109E200 Q204E200-Q202 VanDerWaalsContact C-N 3.25Å; E200-Q202 PolarHBondContact O-N 2.72Å; E200-Q202 VanDerWaalsContact O-N 3.16Å; Q202-Q204 PolarHBondContact O-N 2.87Å
203P44.3Very low44.9Very low128 Ų128143.2 Ų143.283%0.83175%0.746SS**  trans-68.7100.2171.228.4-32.6000108.6R205P203-R205 PolarHBondContact O-N 2.85Å
204Q39.8Very low42.2Very low188 Ų188151.5 Ų151.588%0.87979%0.785SS**  trans-71103.3-170.5-162.8171.4-3.400111Q202 N206Q202-Q204 PolarHBondContact O-N 2.87Å; Q204-N206 PolarHBondContact O-N 3.02Å; Q204-N206 VanDerWaalsContact O-N 3.14Å
205R38.9Very low39.7Very low235 Ų235153.5 Ų153.589%0.88781%0.805SS**  trans-53.9112178.6-169.5179.7-169.8175.23.5110.3P203 R207P203-R205 PolarHBondContact O-N 2.85Å; R205-R207 PolarHBondContact O-N 2.75Å
206N36.2Very low37.9Very low150 Ų150159.8 Ų159.880%0.80282%0.822SS**  trans-66.7105.7-170.7-164.28.5000111.5Q204Q204-N206 PolarHBondContact O-N 3.02Å; Q204-N206 VanDerWaalsContact O-N 3.14Å
207R36.3Very low36.9Very low210 Ų210158.3 Ų158.379%0.79282%0.823SS**  trans-105.897.1176.7-177.6178.9-179.6169.30.7108.6R205 Q209R205-R207 PolarHBondContact O-N 2.75Å; R207-Q209 PolarHBondContact O-N 2.86Å
208N37.1Very low36Very low152 Ų152161.4 Ų161.481%0.81382%0.822SS**  trans-51.9127.9168.4-97.1-6.7000109.9
209Q37.8Very low35.4Very low166 Ų166165.4 Ų165.478%0.77683%0.826SS**  trans-131.7112.9165.3-174.6156.2-1.100108.1R207 S211R207-Q209 PolarHBondContact O-N 2.86Å; Q209-S211 PolarHBondContact O-N 3.5Å
210Q39.2Very low35Very low195 Ų195168.5 Ų168.591%0.91183%0.831SS**  trans-67.8128.6177.7-65.3156.8-67.600109.3
211S29.2Very low35.1Very low115 Ų115165.4 Ų165.480%0.80483%0.826SS**  trans-103.9107.3159.654.50000108.1Q209Q209-S211 PolarHBondContact O-N 3.5Å
212S31.7Very low34.5Very low116 Ų116162.4 Ų162.481%0.81182%0.822SS**PPolyproline II helixtrans-64.9130.6174.9500000111.5
213E32.2Very low34.2Very low192 Ų192162.9 Ų162.990%0.89782%0.824SS**PPolyproline II helixtrans-74.4168.4165.4-71.2-167.2106.300112.1
214Q34.4Very low33.4Very low194 Ų194166 Ų16691%0.90782%0.821SS**PPolyproline II helixtrans-80.1149.1-163.3-67.1175.3-60.500114.2
215S32.5Very low32.9Very low112 Ų112162.3 Ų162.378%0.78382%0.816SS**PPolyproline II helixtrans-62131.9172.6-43.40000112.6
216Q32.9Very low32.6Very low180 Ų180158 Ų15884%0.84181%0.81SS**  trans-119.298.9150.3-71.4-163.49.800109.4
217S29.5Very low33Very low114 Ų114156.3 Ų156.380%0.79781%0.808SS**  trans-103105.2174.955.10000110
218F28.9Very low32.7Very low182 Ų182154.4 Ų154.480%0.79881%0.808SS**  trans-81167166.4-92.9-92.8000111.5
219L31.6Very low32.4Very low157 Ų157152.9 Ų152.982%0.82281%0.809SS**  trans79101174.8-49.9-178.2000117.3
220H28.5Very low32.3Very low190 Ų190152.9 Ų152.988%0.8881%0.808SS**  trans-149126.7135.5-111.567.7000109.7
221P40.2Very low32.2Very low112 Ų112149.7 Ų149.773%0.72781%0.805SS**  trans-93.1137.116834-29.4000111.7
222Q29Very low32.4Very low171 Ų171152.4 Ų152.480%0.79980%0.802SS**  trans40.7122145.9-75.1-85.4-16.500119.8
223Q28.6Very low33Very low161 Ų161152 Ų15275%0.75280%0.797SS**  -177.9140.299.8-98.6-170.3-5.500115.9
224Y27.3Very low33.1Very low193 Ų193149.9 Ų149.976%0.75779%0.787SS**  trans63.8135.6148.3-82.1-77.4000125.5
225S29.6Very low33.2Very low111 Ų111148.5 Ų148.578%0.77678%0.78SS**  trans89.4108142.9-61.50000122.6
226N31.2Very low33.1Very low144 Ų144147.7 Ų147.777%0.7778%0.781SS**  trans-75.5178.6150.6-131.9-5000109.5
227P46.1Very low33.2Very low115 Ų115147 Ų14775%0.74778%0.781SS**  cis-144.3-162.329.943.6-21.1000117
228H29.6Very low33.9Very low171 Ų171145.2 Ų145.279%0.79277%0.766SS**  trans-60156.6-175.2-50.8-33.6000118.1
229S29.8Very low34.1Very low119 Ų119145.7 Ų145.783%0.83277%0.769SS**  -162.4146.5118.748.70000113
230H36.9Very low34.1Very low166 Ų166143.9 Ų143.977%0.76977%0.769SS**  trans-107.6158.3167.8-69.1-80.7000109.2
231P37.2Very low34.1Very low129 Ų129143.3 Ų143.384%0.83877%0.769SS**  -147.7156.394.335.1-17000116.9
232F33Very low33.6Very low172 Ų172148 Ų14875%0.75477%0.772SS**  trans-90.9158.5162.5-80.3-88.6000110.4
233P44.3Very low34.2Very low108 Ų108145.7 Ų145.770%0.70177%0.772SS**  -129.6153.582.36.717.8000113.6
234Q35Very low34.4Very low146 Ų146144.8 Ų144.868%0.68277%0.767SS**  63.7140.769.4-51.4172.236.700113.4
235H34.8Very low34.6Very low165 Ų165145.6 Ų145.676%0.76477%0.771SS**  cis-14617521.9-55.9-100.5000110.5
236A30.9Very low35.4Very low96 Ų96146.3 Ų146.379%0.79377%0.773SS**  cis-151.3175.4-200000110.7
237I35.3Very low35.5Very low165 Ų165151.2 Ų151.285%0.84678%0.78SS**  trans-120.6-139.3-176.4-12.8174.6000108.9
238P44.8Very low34.6Very low76 Ų76148.8 Ų148.849%0.49478%0.776SS.*  cis-139.3-176.8-14.415.214.6000117
239F32.1Very low35.5Very low193 Ų193147.1 Ų147.185%0.84678%0.781SS**  trans55.7149.2154.441.6-131.5000121.9
240S31.4Very low35.8Very low119 Ų119147 Ų14783%0.83278%0.78SS**  cis-158.9-176.645.7-164.10000116.1
241M29.6Very low35.5Very low177 Ų177142.5 Ų142.587%0.87278%0.778SS**  trans-112.9178.2-179.4-71.2-166.5-78.400114
242R30.3Very low35.8Very low210 Ų210142.8 Ų142.879%0.79278%0.78SS**  trans74.1162.8173.8-97.3178.5-177.9162.84.7114.7
243P40.9Very low35.8Very low123 Ų123145.3 Ų145.380%0.79979%0.786SS**  cis-125.5-179.830.445-31.6000114.9
244H32.8Very low36.1Very low142 Ų142145.3 Ų145.366%0.65779%0.786SS**  cis-157.9171.6-31.2-133.1-99.6000111.3
245Y30.7Very low35.9Very low210 Ų210144.9 Ų144.982%0.82479%0.789SS**  trans-100.3149.1153.3-92.1-94.6000110.3
246P46.8Very low35.8Very low127 Ų127144.9 Ų144.983%0.82579%0.793SS**  trans-75.5142.5168.931.9-33.5000111.6
247R33Very low35.8Very low246 Ų246144 Ų14493%0.92879%0.793SS**  trans-120.8137179.3-170.9-177.8-170.2174.53.8109
248G28Very low35.6Very low64 Ų64144.7 Ų144.766%0.6679%0.793SS**PPolyproline II helixtrans-69.9156.4177.500000113.4
249P48.1Very low34.8Very low136 Ų136150.6 Ų150.688%0.88381%0.807SS**PPolyproline II helixtrans-79152.3175.6-9.327.4000113.1
250S35.2Very low34.7Very low117 Ų117146.4 Ų146.482%0.81880%0.801SS**PPolyproline II helixtrans-86.4156.3168.149.60000112.3
251G32.3Very low34.5Very low71 Ų71144.2 Ų144.273%0.73280%0.798SS**  trans-71.1-173.3-178.100000115.9
252P42.7Very low34.5Very low136 Ų136141.2 Ų141.288%0.88379%0.794SS**  -137.3176.181.138.4-24.9000117.2
253Y31.9Very low35Very low224 Ų224137 Ų13788%0.87880%0.797SS**  trans-64.3175.2174.6-89.3-90000114.9
254P51.8Low35.3Very low108 Ų108136.2 Ų136.270%0.70179%0.792SS**  cis-123-162.7-7.637.4-17.5000111.7
255N31.2Very low35.1Very low138 Ų138138.2 Ų138.274%0.73880%0.804SS**  cis-161.4176.614.5-154.1-7.9000112.8
256L31Very low35.3Very low164 Ų164135.7 Ų135.786%0.85980%0.804SS**  trans71.8120.7164.9-68.7140.4000118.4
257G31Very low34.6Very low77 Ų77134 Ų13479%0.79480%0.801SS**  trans156.759167.700000118.2
258H31.3Very low34.7Very low180 Ų180131 Ų13183%0.83380%0.797SS**  trans-61.6155.4165-62.1-57.4000111.4
259Y28.6Very low34.9Very low200 Ų200134.7 Ų134.778%0.78481%0.808SS**  cis-161.4165.53-143.9-112.4000108.5
260S30.3Very low34.3Very low105 Ų105135.2 Ų135.273%0.73480%0.802SS**  trans39.5135.1157.955.80000121.2
261G27.3Very low34Very low73 Ų73137.1 Ų137.175%0.75380%0.798SS**  cis108.291.111.900000112.7
262S30Very low33.9Very low114 Ų114142.2 Ų142.280%0.79780%0.8SS**  trans-177.8143.1150.140.70000112.3
263S39.9Very low33.3Very low123 Ų123143 Ų14386%0.8680%0.796SS**  trans-128.8136.6148.6-63.80000106.1
264P46.5Very low33.1Very low106 Ų106137.5 Ų137.569%0.68879%0.791SS**  trans-134137.9158.116.94.8000114.4
265M30.5Very low32.1Very low183 Ų183137.3 Ų137.390%0.90179%0.792SS**  trans69.5124.1144-58.7-56.6171.300121.1
266D34.6Very low32.4Very low157 Ų157142.7 Ų142.784%0.8480%0.802SS**  trans-81.9145.8152.1-163.1-6.6000109.2
267A31Very low32.2Very low91 Ų91143.9 Ų143.975%0.75280%0.803SS**  trans-160.6125.5173.200000111.7
268Q36.5Very low32.4Very low183 Ų183148.6 Ų148.686%0.85581%0.809SS**  trans-70.9147.4178.2-58.6164.6-1300112
269T31.6Very low32.5Very low143 Ų143144.1 Ų144.188%0.87780%0.803SS**  trans-166.7156.5143.5-820000111.5
270L34.3Very low33.8Very low147 Ų147140.1 Ų140.177%0.7780%0.802SS**  trans-78.6174.1-172.5-67.1144.5000115.3
271H29.7Very low33.8Very low156 Ų156141 Ų14172%0.72281%0.808SS**  trans106.5118.1154.6-63.6-84.3000120.8
272F30Very low33.9Very low179 Ų179143.9 Ų143.979%0.78582%0.815SS**  trans38.2116.8136.1-75.1-99.7000122.2
273L30.1Very low33.8Very low151 Ų151141.6 Ų141.679%0.79181%0.809SS**  trans39105.4137.5-59.7176.1000119.4
274S27.7Very low33.3Very low110 Ų110145.2 Ų145.277%0.76981%0.81SS**  171.1146.3103.1-75.60000116.7
275S31Very low32.4Very low104 Ų104148.5 Ų148.573%0.72782%0.816SS**  trans48.1121142.266.80000124.3
276R36.9Very low32.3Very low250 Ų250147.1 Ų147.194%0.94381%0.811SS**  trans58.1147.8130.8-71-170.3174.6-152.9-0.9122.3
277Q28Very low33.3Very low189 Ų189144.9 Ų144.988%0.88381%0.805SS**  trans-87.5153.3170.4-67.5169.9-28.300112.8
278L34.2Very low33.2Very low177 Ų177146.3 Ų146.393%0.92780%0.804SS**  trans-134.6173.5166.6-77.7167.8000106.7
279A33.1Very low32.8Very low85 Ų85144.3 Ų144.370%0.70280%0.8SS**  cis-148-147.718.800000108.7
280P57Low33Very low117 Ų117143.9 Ų143.976%0.7680%0.796SS**  cis-134.1158.83.541.9-24.6000117.6
281S29.3Very low34.2Very low123 Ų123142.8 Ų142.886%0.8680%0.798SS**  165.5165.3129.448.10000112.8
282C29.2Very low34.1Very low133 Ų133139.2 Ų139.290%0.89980%0.804SS**  trans-60.7164.8-172.8-53.80000115.2
283G29.5Very low34.2Very low66 Ų66142.3 Ų142.368%0.6881%0.81SS**  cis150.6156.3-3.900000113.1
284F29.6Very low35.7Very low200 Ų200139.5 Ų139.588%0.87780%0.801SS**  trans91.4132.4174.7-71.9-78.4000121.9
285H27.4Very low35.8Very low175 Ų175143.8 Ų143.881%0.8181%0.808SS**  trans78.7128.6153.9-86.7-77.3000124.9
286L26.7Very low35.8Very low154 Ų154150.2 Ų150.281%0.80682%0.816SS**  trans-108179.2169.5-10475.4000108.8
287P57.5Low35.6Very low110 Ų110146.8 Ų146.871%0.71482%0.816SS**  cis-140.3-153.2-25.934.6-12.2000113.2
288V27.9Very low35.7Very low121 Ų121141.3 Ų141.373%0.73381%0.81SS**  trans106.9103.3155.3-168.10000119.3
289D28.8Very low35.6Very low141 Ų141138.2 Ų138.275%0.75481%0.81SS**  trans18144.4136.9-68.7-76.6000127.1
290V34.1Very low35.6Very low134 Ų134137.4 Ų137.481%0.81281%0.81SS**  trans80.9144.1138.11620000119.1
291P61.3Low34.4Very low124 Ų124137.8 Ų137.881%0.80581%0.814SS**  trans-119.1161.6-144.440.9-29.2000116.9
292G27.2Very low34.5Very low81 Ų81143.5 Ų143.584%0.83582%0.817SS**  trans-122.9137.4168.200000112.6
293R31.4Very low34.7Very low243 Ų243142.8 Ų142.892%0.91781%0.809SS**  trans-101.9179.7-177.9-141.3-161.3-175.3-163.46.9110.8
294P61.5Low35Very low93 Ų93145.1 Ų145.160%0.60482%0.815SS**  -112176.7-103.541.1-28000113.5
295H29.3Very low35.2Very low199 Ų199140.2 Ų140.292%0.92181%0.811SS**  trans-141.2147.4144.9-93.7-73.1000112.8
296R32.3Very low35.8Very low239 Ų239139.6 Ų139.690%0.90281%0.808SS**  trans-84.9151175.7-69.8171.6165.3172.3-6.2110.9
297L32.4Very low36.3Very low179 Ų179139.9 Ų139.994%0.93781%0.805SS**  trans177140.2132.4-94.7157.2000107.5
298G29.6Very low35.2Very low73 Ų73144.7 Ų144.775%0.75381%0.81SS**  cis-154.2173.3-8.500000109.6
299A33.2Very low35.7Very low112 Ų112143.1 Ų143.193%0.92681%0.81SS**  trans-125.2161-171.700000113.7
300G32.9Very low36.1Very low68 Ų68142 Ų14270%0.70181%0.813SS**  trans128.2109.6175.500000111.3
301C30.6Very low36.1Very low126 Ų126147.3 Ų147.385%0.85182%0.818SS**  70.7109.650.7-56.10000114.7
302R32Very low35Very low243 Ų243152.3 Ų152.392%0.91782%0.821SS**  trans-173.8116142.1-104.2162.7-166.2-142.62.1115.2
303T32.4Very low35.6Very low118 Ų118152.9 Ų152.972%0.72481%0.813SS**  trans19.2121.6133.456.40000122.6
304S36.8Very low35.4Very low115 Ų115146.6 Ų146.680%0.80481%0.805SS**  trans45.1131.1130.866.30000124
305A34.2Very low34.2Very low97 Ų97149 Ų14980%0.80281%0.808SS**  trans-171.7162.6130.400000114.4
306H40.2Very low34.5Very low162 Ų162145.8 Ų145.875%0.7580%0.802SS**  trans-58.3166.7-176.6-53.2-89.9000116.6
307H35.8Very low34.6Very low159 Ų159143.2 Ų143.274%0.73679%0.793SS**  178.8155.376.4-97.7-69.3000117.8
308Y35.6Very low34.6Very low212 Ų212143.7 Ų143.783%0.83178%0.783SS**  trans73.5136.5145-90-75.1000127.1
309A37.2Very low34.9Very low87 Ų87144.4 Ų144.472%0.71978%0.776SS**  trans86.886.7137.500000125.2
310S38Very low34.9Very low118 Ų118144.6 Ų144.683%0.82577%0.771SS**  42.4125122.6-163.60000124.6
311R33.7Very low34.8Very low245 Ų245147.1 Ų147.193%0.92578%0.776SS**  -159.6164.4123.9-101.7177.3-157.7-105.53.4110.9
312R39.3Very low35.8Very low229 Ų229147.4 Ų147.486%0.86478%0.777SS**  trans-135.5162.6177.9-81.1-169.2-178.1-157.73.3109
313S39.3Very low35.9Very low94 Ų94140.2 Ų140.266%0.65777%0.769SS**  cis-152.9177.9-2.533.60000107.5
314C27.8Very low35.9Very low111 Ų111141.9 Ų141.975%0.7577%0.769SS**  cis-142.4162.737.1-80.30000111
315H35.6Very low35.7Very low144 Ų144146.1 Ų146.167%0.66777%0.767SS**  cis85.8124.337.3-79.9-68.6000115.2
316T36.4Very low35.6Very low130 Ų130147.5 Ų147.580%0.79876%0.761SS**  cis-162.5-175.6-17-6.50000112.7
317Y33Very low35.5Very low185 Ų185145.2 Ų145.273%0.72576%0.759SS**  trans-132.1157.7-175.5173.1-110.7000111.6
318R33.7Very low35.4Very low189 Ų189143.8 Ų143.871%0.71377%0.766SS**  trans71129.2161.7-105.5-173.1-164.2-161.23.6123.4
319S34.7Very low35.3Very low88 Ų88136.7 Ų136.762%0.61576%0.758SS**  30.7142.2128.768.30000124.4
320S33.3Very low35.3Very low116 Ų116138.6 Ų138.681%0.81177%0.766SS**  trans106.4141.3146.8-57.50000118.2
321C31Very low35.3Very low121 Ų121143 Ų14382%0.81876%0.764SS**  trans-82.5168.6-171.4-47.70000113.2
322P51.7Low35.5Very low133 Ų133137.2 Ų137.286%0.86475%0.751SS**  -134.5-154.688.538.3-25000113.3
323A34.2Very low35.5Very low91 Ų91134.5 Ų134.575%0.75275%0.748SS**  trans-129.4163.5-149.300000117.6
324Q32.7Very low35.5Very low154 Ų154139 Ų13972%0.7276%0.758SS**  trans70.3124.9157.5-69.8-160.422.200122.1
325R33.2Very low35.8Very low204 Ų204136.8 Ų136.877%0.7776%0.755SS**  trans69.1143.4137.1-68.6-178.9175.7-176.6-0.5118.1
326N31.9Very low35.6Very low125 Ų125137.4 Ų137.467%0.66877%0.769SS**  cis-159.1162.9-3.8-129.28.3000113.8
327T36.8Very low35.8Very low115 Ų115136.8 Ų136.871%0.70677%0.77SS**  trans62.9133.7148.749.50000123.5
328S34.4Very low36.2Very low128 Ų128132.8 Ų132.890%0.89578%0.775SS**  trans72.9138150.3-56.40000119.5
329G33.6Very low36.1Very low64 Ų64128.5 Ų128.566%0.6678%0.78SS**  cis161.2161.2-10.100000114
330S38.1Very low36Very low126 Ų126128.7 Ų128.788%0.88179%0.787SS**  trans73.5157.5171.589.50000116.9
331R38.1Very low36.1Very low211 Ų211131.8 Ų131.880%0.79679%0.789SS**  cis-175.6136.1-17.9155.5-174.1-96.1-121.42.4111.8
332L37.2Very low36Very low124 Ų124130.9 Ų130.965%0.64978%0.784SS**  trans63.5168.1162.7-69.2165.2000117.3
333Q38.2Very low35.1Very low171 Ų171136.8 Ų136.880%0.79979%0.789SS**  cis-151174.414.7-146.8155.420.300113.7
334H39.1Very low34.8Very low188 Ų188135.9 Ų135.987%0.8779%0.789SS**  trans-82171.8177.6-66.2-88.2000113.4
335G34.9Very low34.8Very low66 Ų66135.3 Ų135.368%0.6880%0.795SS**  cis144.2163.4-1.700000112.8
336T32.5Very low35Very low156 Ų156130.7 Ų130.796%0.95780%0.801SS**  trans-149.2168.1178.532.50000115.2
337S40.1Very low34.9Very low118 Ų118128.5 Ų128.583%0.82581%0.807SS**  trans-101.8-175.2-163.545.90000116.1
338A40.6Very low34.7Very low100 Ų100131.2 Ų131.283%0.82682%0.818SS**  cis179.2143.6-42.400000112.4
339A32.1Very low34.5Very low99 Ų99128.1 Ų128.182%0.81881%0.806SS**  trans-178.1146.5162.300000109
340A33.5Very low34.6Very low92 Ų92136.1 Ų136.176%0.7682%0.816SS**  cis85.6134.931.400000115
341Q34.5Very low34.5Very low181 Ų181137.7 Ų137.785%0.84681%0.81SS**  cis-165.1165.9-11.1-117.3-175.12000112.4
342S29.7Very low34.3Very low103 Ų103134 Ų13472%0.7281%0.806SS**  trans58.8124.9149.364.40000127
343R31.7Very low34.2Very low257 Ų257136 Ų13697%0.9782%0.817SS**  trans24.9143.5132.2-74178.7168.1164.6-5.1124.3
344G27.9Very low34Very low72 Ų72130.7 Ų130.774%0.74281%0.808SS**  trans135.6135155.100000112.3
345V33.6Very low33.9Very low141 Ų141127.1 Ų127.186%0.85580%0.804SS**  cis122.1112.49167.10000111.7
346A37.2Very low33.8Very low108 Ų108129.6 Ų129.689%0.89381%0.81SS**  trans63.3138.6159.100000122.2
347G29.5Very low34.3Very low78 Ų78127.7 Ų127.780%0.80480%0.803SS**  trans-164.6149.9167.800000108.9
348N33.4Very low33.9Very low173 Ų173126 Ų12693%0.92580%0.804SS**  trans-145.9148.7-156.5-161.79.8000115.5
349G28.8Very low33.5Very low63 Ų63124.7 Ų124.765%0.64980%0.8SS**  trans90.7161.3169.200000116.7
350R35.7Very low33.6Very low232 Ų232125.2 Ų125.288%0.87580%0.798SS**  cis-168.6159.3-8.8-143.3-178.8-165.7-175.33.8110.3
351Q36.1Very low33.5Very low159 Ų159131.7 Ų131.774%0.74381%0.805SS**  trans69.5151.4166.7-55.6-171.1-92.900117
352D34.4Very low33.4Very low134 Ų134131.9 Ų131.972%0.71781%0.805SS**  cis-161169.2-29.5-79.8-34.9000103.6
353D35.7Very low33.6Very low165 Ų165133.4 Ų133.488%0.88281%0.81SS**  cis-157.3-179.69.3-163.8-3.3000109.1
354G34.1Very low33.7Very low60 Ų60129.5 Ų129.562%0.61980%0.803SS**  trans84.289.8162.300000117
355S36.6Very low33.9Very low112 Ų112137 Ų13778%0.78381%0.809SS**  71.899.376-159.20000113.8
356C33.2Very low33.9Very low119 Ų119136 Ų13680%0.80481%0.808SS**  78.6140.976.5-71.40000113.9
357S41.3Very low33.7Very low115 Ų115133.9 Ų133.980%0.80480%0.796SS**  cis-150.2158.71.5-76.70000109.9
358G32.8Very low33.9Very low83 Ų83141.3 Ų141.386%0.85680%0.802SS**  99.4153.197.300000112.5
359G32Very low33.9Very low72 Ų72140.7 Ų140.774%0.74280%0.798SS**  cis-167172.5-3.500000110.7
360S34.8Very low34.4Very low111 Ų111142.4 Ų142.478%0.77681%0.806SS**  trans-90159.8-177.756.40000113.6
361Y31.8Very low34.3Very low227 Ų227138.9 Ų138.989%0.8981%0.805SS**  trans-129.2127.5168.1-74.4-81000111.8
362H30.8Very low34.1Very low185 Ų185134.8 Ų134.886%0.85681%0.805SS**  trans-96.5150.1161.9-101.7-97.2000109
363T33.7Very low35.4Very low135 Ų135134.7 Ų134.783%0.82881%0.811SS**  trans-142.3103.5165.938.40000112.7
364E35.4Very low35.2Very low175 Ų175131.6 Ų131.682%0.81881%0.809SS**  trans-107.4167.8137.6-53.7-172.6176.900106.1
365R31.7Very low35.2Very low231 Ų231133.7 Ų133.787%0.87281%0.814SS**  cis-157.7150.211.7-164.9-176.3-172.6-151.65.5107.5
366S32.3Very low34.9Very low119 Ų119135.3 Ų135.383%0.83281%0.814SS**  trans-152.2155.4157-166.40000109.3
367G33Very low35Very low63 Ų63134.2 Ų134.265%0.64981%0.808SS**  trans-148.8165.7-175.900000112.4
368Y35.4Very low34.6Very low234 Ų234134.5 Ų134.592%0.91881%0.81SS**  trans-134.5144.1169-99.3-88.5000109.7
369L32.7Very low35.1Very low160 Ų160136 Ų13684%0.83881%0.807SS**  trans-97.7151.8171-70.1165.2000109.4
370A39.4Very low35.2Very low99 Ų99135.5 Ų135.582%0.81880%0.801SS**  trans-147141.5154.300000107.5
371D32.8Very low35.4Very low159 Ų159136 Ų13685%0.8580%0.802SS**  trans-96.2155.2-160.1-57.7-85.7000114.9
372G32.6Very low35.5Very low72 Ų72137 Ų13774%0.74281%0.805SS**  106.7160128.300000117.3
373P60.8Low35.5Very low132 Ų132137.2 Ų137.286%0.85781%0.806SS**  trans-121.5160.2-162.939.9-25.8000114.6
374A32.6Very low35.2Very low101 Ų101134.3 Ų134.384%0.83580%0.802SS**  trans-142.3131.4152.400000109.7
375S32.9Very low34.9Very low104 Ų104131.3 Ų131.373%0.72780%0.801SS**  trans-77.8176.1162-600000108.1
376D31.5Very low35Very low145 Ų145125.2 Ų125.278%0.77579%0.793SS**  -165.1142.666.3-85.1-41000114.2
377S34.6Very low35.2Very low97 Ų97124.2 Ų124.268%0.67879%0.787SS**  trans41111.3133.4-530000122.1
378S33.9Very low35.2Very low121 Ų121128.2 Ų128.285%0.84679%0.793SS**  71.3159.4128.781.40000118.7
379S41.5Very low35.3Very low115 Ų115122.9 Ų122.980%0.80479%0.79SS**  cis-142.4153.7-4.652.60000108.5
380G34.6Very low35.6Very low60 Ų60121.9 Ų121.962%0.61979%0.79SS**  113.9129.296.600000110.1
381P39.1Very low35.4Very low122 Ų122124.7 Ų124.779%0.79279%0.79SS**  trans-91.9143.1-169.534.6-33.9000113.3
382W33.9Very low35.4Very low248 Ų248122.8 Ų122.894%0.93978%0.78SS**  trans-124.1130.3165.7-78.797.3000111.2
383H30.9Very low35.4Very low190 Ų190125.7 Ų125.788%0.8879%0.788SS**  trans-76.6156.9168.1-70.7-117000110.1
384G27.8Very low34.2Very low73 Ų73124.9 Ų124.975%0.75378%0.781SS**  trans154.899.5155.300000116.2
385S29Very low34.2Very low113 Ų113127.6 Ų127.679%0.7978%0.781SS**  trans37.8119.5143.5-630000121.9
386S33.9Very low34.1Very low102 Ų102128.9 Ų128.971%0.71378%0.784SS**  55.4110.1111.3-440000120.8
387S35.6Very low34.2Very low99 Ų99127.1 Ų127.169%0.69278%0.783SS**  81.1149.6120.3-53.60000121.3
388D32.9Very low34.1Very low146 Ų146130.3 Ų130.378%0.78179%0.792SS**  trans57.6110.4152.8-49.8-29.4000119.8
389S37.7Very low34Very low123 Ų123133.9 Ų133.986%0.8680%0.795SS**  -170.4152.7100.1-79.60000112.8
390V39.6Very low33.6Very low138 Ų138131.9 Ų131.984%0.83679%0.793SS**  trans-106.5119.2-178.4-178.50000110.9
391L34.8Very low33.4Very low158 Ų158136.1 Ų136.183%0.82781%0.806SS**  trans-142.1110.9158.4-66.3175.3000105.8
392N33.1Very low33Very low120 Ų120141.4 Ų141.464%0.64281%0.812SS**  64.394.962.1-166.422.7000113.7
393C32Very low32.8Very low132 Ų132133 Ų13389%0.89280%0.802SS**  trans-137.385.6169.4-70.90000109.5
394T36.2Very low32.7Very low116 Ų116129.7 Ų129.771%0.71280%0.8SS**  trans-101.7113.2166.951.80000109.9
395D31.5Very low32.6Very low157 Ų157137.9 Ų137.984%0.8481%0.809SS**  trans-171.5172.9145.4-129.8-45.4000113.1
396V31.6Very low32.6Very low131 Ų131138 Ų13879%0.79481%0.81SS**  trans72.1124.4172.3-172.80000114.9
397S33.7Very low32.5Very low109 Ų109138.4 Ų138.476%0.76281%0.808SS**  cis-149.4166.7-0.4-152.70000112.3
398L31.7Very low32.2Very low163 Ų163143.5 Ų143.585%0.85382%0.818SS**  trans-111.5116.2173.7-87.3168000112.3
399Q33.5Very low32Very low196 Ų196148.5 Ų148.592%0.91683%0.826SS**  trans-174.8133161.9-100.8151.315.500107.9
400G32Very low31.4Very low73 Ų73147.8 Ų147.875%0.75382%0.821SS**  cis142.280.5-7.400000113.4
401V31.7Very low30.9Very low149 Ų149147.2 Ų147.290%0.90382%0.823SS**  trans-148.7148.2173.6173.10000110.9
402Y29.2Very low30.7Very low234 Ų234148 Ų14892%0.91883%0.827SS**  trans-79.9158.4176.2-100.3-124.5000113.7
403G29.9Very low30.5Very low70 Ų70146.4 Ų146.472%0.72283%0.825SS**  trans157.896.2156.500000120
404S29.1Very low30.5Very low121 Ų121145.6 Ų145.685%0.84682%0.821SS**  trans49.695.1137.1-52.50000122.7
405W25.7Very low30.3Very low245 Ų245146.7 Ų146.793%0.92882%0.823SS**  25.6121.5122.7-148.3-23.3000120.1
406S29.3Very low30.2Very low116 Ų116149.6 Ų149.681%0.81182%0.823SS**  trans-154.6159.8135.757.10000112.7
407T31.3Very low30.4Very low111 Ų111150.8 Ų150.868%0.68183%0.825SS**  trans-68.8134.4-167.747.60000115.6
408F29.8Very low30.9Very low205 Ų205149.1 Ų149.190%0.89981%0.812SS**  -163114.3122.6-95.8-65.5000109.4
409R28.3Very low30.9Very low252 Ų252150.6 Ų150.695%0.95181%0.812SS**  trans-123.5112.5177.6-132.5-174.1-178.8-149.8-4.3110.5
410S26Very low30.7Very low107 Ų107144.1 Ų144.175%0.74880%0.798SS**  trans-139.8152.2175.3-71.20000110
411S29.3Very low30.6Very low126 Ų126150 Ų15088%0.88180%0.798SS**  trans76.9152.8173.8-54.90000117.1
412L30.5Very low30.5Very low175 Ų175152 Ų15292%0.91680%0.796SS**  trans-111.8136.8-170.5-64.1143.3000110.2
413S28.7Very low30.4Very low86 Ų86144 Ų14460%0.60178%0.784SS**  trans-139.5149.3133700000107.4D415S413-D415 WeakPolarHBondContact CB-OD2 3.37Å; S413-D415 PolarHBondContact OG-OD2 3.41Å
414S32.5Very low30.4Very low115 Ų115146.1 Ų146.180%0.80480%0.795SS**  cis7449.310.594.10000116.9
415D30.6Very low30.5Very low140 Ų140144.9 Ų144.975%0.74979%0.792SS**  trans-122.4136.7163.3-63.3-71.6000109.7S413S413-D415 WeakPolarHBondContact CB-OD2 3.37Å; S413-D415 PolarHBondContact OG-OD2 3.41Å
416Y31Very low31.4Very low217 Ų217139.3 Ų139.385%0.85179%0.787SS**  trans-150.2119.3178.9-163.2-62.1000106.2
417D35.5Very low31.5Very low157 Ų157140.2 Ų140.284%0.8479%0.787SS**  trans-152.5155.4177.4-126.320.1000110.2
418P43.6Very low31.6Very low73 Ų73139.9 Ų139.947%0.47480%0.796SS.*  trans-139.3-177.6-130.231.1-5.8000115.3
419F32.3Very low31.5Very low194 Ų194133.3 Ų133.385%0.85179%0.786SS**  trans59.5133.5166.9-55-69.1000118.3
420G29.1Very low31.7Very low61 Ų61128.3 Ų128.363%0.62978%0.784SS**  cis153.5177.3-3.700000112.1
421Y29.5Very low31.9Very low195 Ų195126.8 Ų126.877%0.76578%0.784SS**  trans62.4153.2170.6-70.2-88.3000116.7
422F29.2Very low32Very low193 Ų193126.8 Ų126.885%0.84679%0.785SS**  cis-122.1178.6-11.4-80.4-88000107.2
423G26.5Very low32Very low65 Ų65121.6 Ų121.667%0.6777%0.773SS**  cis139.2128.1-1.200000112
424A29.6Very low32.2Very low115 Ų115126.9 Ų126.995%0.9579%0.788SS**  trans69148.4172.200000119.7
425A33.2Very low32.1Very low94 Ų94125.7 Ų125.778%0.77779%0.785SS**  trans-142.5147.1177.300000112.1
426P44.3Very low33Very low128 Ų128124.6 Ų124.683%0.83179%0.786SS**  trans-142.4167.5159.939.2-24.3000114.7
427V31.7Very low32.9Very low135 Ų135126 Ų12682%0.81879%0.79SS**  cis-164.2142-46.1112.20000109.6
428A31.8Very low32.9Very low104 Ų104127.4 Ų127.486%0.8678%0.783SS**  trans62.5158.6175.100000117.5
429G28.9Very low32.2Very low68 Ų68131.6 Ų131.670%0.70180%0.801SS**  cis-156.7-163.2-5.200000109.6
430V32.1Very low32.3Very low147 Ų147126.3 Ų126.389%0.89179%0.789SS**  cis-158135.49.5171.80000110.1
431G30Very low32.9Very low74 Ų74128.3 Ų128.376%0.76378%0.784SS**  trans60.9162.3150.800000121.8
432S32.1Very low33.4Very low127 Ų127126.5 Ų126.589%0.88878%0.783SS**  cis-168.8142.1-15.5-169.50000112.6
433G29.5Very low33.4Very low66 Ų66122.2 Ų122.268%0.6878%0.783SS**  trans80.4150.8163.300000117.3
434H32.8Very low33.7Very low197 Ų197123.9 Ų123.991%0.91279%0.791SS**  cis-147.3161-0.2-123.168.2000111.3
435A30Very low33.9Very low89 Ų89122.8 Ų122.874%0.73678%0.782SS**  trans-113.8-155.7178.400000109.5
436P49.6Very low33.9Very low118 Ų118127.5 Ų127.577%0.76679%0.788SS**  cis-1301806.147-29.4000113.7
437R28.6Very low33.2Very low247 Ų247129 Ų12993%0.93279%0.788SS**  -160.316274.9-133.9173.6-175.4-179.31.6112.9
438R35.4Very low32.9Very low185 Ų185133.9 Ų133.970%0.69879%0.792SS**  trans-150.6153.1-162.1-168.8-175-168.7-161.33110.8
439N29.2Very low33.4Very low162 Ų162134 Ų13487%0.86678%0.784SS**  trans-160.9122151-92.1-18000107.4
440S35.8Very low33.4Very low83 Ų83140 Ų14058%0.5879%0.791SS**  cis105.7126.514.8-162.30000112.5
441L40.2Very low33.3Very low102 Ų102138.4 Ų138.453%0.53479%0.786SS.*  cis-164161.8-8.2-139.965.4000113.8
442E39.9Very low33.3Very low157 Ų157142.2 Ų142.273%0.73479%0.788SS**  trans12.3150.1143.9-69.3153.6-143.700125
443A29.1Very low33.2Very low104 Ų104143 Ų14386%0.8678%0.783SS**  -153.2150.5121.800000110.5
444A33Very low33.3Very low100 Ų100144.9 Ų144.983%0.82679%0.785SS**  trans-158.1173.7-171.800000116.2
445A34.3Very low33.2Very low92 Ų92141.9 Ų141.976%0.7678%0.781SS**  trans79.2133.1163.500000120.4
446Q33.2Very low33.2Very low193 Ų193143.8 Ų143.890%0.90278%0.783SS**  -173.7-179.5116.5-96.6176.239.400112.8
447N30.2Very low32.3Very low158 Ų158145 Ų14585%0.84578%0.783SS**  trans-101165.7-146.9-67.2-62.2000118.6
448R25.5Very low32.5Very low239 Ų239140.5 Ų140.590%0.90277%0.77SS**  trans-19.7166.5147.9-106.2-177.8-179.3141.20.4118
449P41.4Very low32.3Very low105 Ų105136.8 Ų136.868%0.68278%0.779SS**  cis-148.7173.514.241.6-20.8000120.5
450K30.1Very low32.3Very low194 Ų194132.8 Ų132.884%0.84378%0.776SS**  trans55.5147.8138.9-79.8-172.1174-173.40125.9
451S29.9Very low31.9Very low114 Ų114134.6 Ų134.680%0.79779%0.787SS**  trans82.5143.7147.230.20000122.3
452L30.2Very low31.4Very low155 Ų155136.7 Ų136.781%0.81280%0.798SS**  trans-84.6156.8168.9-61.882.4000110.2
453D29.6Very low31.1Very low144 Ų144136.5 Ų136.577%0.7780%0.797SS**  179.3168.394.8-114.3-46.5000113.8
454S31.1Very low31.1Very low105 Ų105140 Ų14073%0.73480%0.796SS**  trans66.3117.6171.5-57.20000117.3
455V30.3Very low31.1Very low134 Ų134143.5 Ų143.581%0.81280%0.795SS**  cis84.6106.143.5-179.70000114.4
456V29.6Very low31.6Very low129 Ų129142.8 Ų142.878%0.78278%0.783SS**  trans-178.9152.2130.1147.90000111.7
457N31.2Very low31.6Very low144 Ų144142.5 Ų142.577%0.7778%0.782SS**  trans-53.8177.8-177.2-52.4-50.9000116.7
458K32.8Very low31.9Very low152 Ų152139 Ų13966%0.66177%0.766SS**  cis-160.8142.124.8-158.3179.1-171.7-178.70114.1Q500 G501K458-Q500 PolarHBondContact NZ-O 3.14Å; K458-G501 PolarHBondContact NZ-O 2.9Å
459A31.9Very low32.4Very low106 Ų106134.6 Ų134.688%0.87677%0.765SS**  trans17.2137.3156.700000124.5
460G30Very low31.7Very low79 Ų79136.8 Ų136.881%0.81476%0.764SS**  trans-170136.1154.400000109.7
461C26Very low31.8Very low121 Ų121132.6 Ų132.682%0.81876%0.76SS**  trans-145.7138.7-164.1-174.10000113.7
462L30.7Very low32Very low146 Ų146133.9 Ų133.976%0.76475%0.752SS**  -161.4128.2126.9-140.277.6000113.5
463E32Very low32.3Very low153 Ų153133 Ų13372%0.71575%0.748SS**  trans50.6140.7144.2-82.5172.9105.400126.5
464E30.7Very low32.5Very low176 Ų176133.6 Ų133.682%0.82275%0.745SS**  trans75.8113.4154.2-61.4-7374.300121.5
465Q32.6Very low32.5Very low174 Ų174138.8 Ų138.881%0.81375%0.75SS**  trans-115.2-167.1-176.9-111.2-155.8-24.400108.8
466P44.5Very low32.6Very low78 Ų78140.2 Ų140.251%0.50675%0.748SS.*  -137-175.9-57.941.2-24.5000112.7T468P466-T468 HydrophobicContact CB-CG2 3.91Å; P466-T468 HydrophobicContact CG-CG2 3.79Å
467Q34.3Very low32.4Very low187 Ų187144.9 Ų144.987%0.87475%0.751SS**  trans-161.573145-113.1170.146.400110.4
468T35.3Very low32.4Very low83 Ų83145.7 Ų145.751%0.50975%0.75SS.*  54.383.492.467.90000115.9P466 F470P466-T468 HydrophobicContact CB-CG2 3.91Å; P466-T468 HydrophobicContact CG-CG2 3.79Å; T468-F470 HydrophobicContact CG2-CE2 3.91Å
469V35.5Very low32.2Very low148 Ų148147.3 Ų147.390%0.89775%0.752SS**  trans-82.7126152.21760000107.9
470F28.5Very low32.3Very low151 Ų151150.5 Ų150.566%0.66275%0.748SS**  trans-118.1108-179.4-91.8-70.5000112.2T468 H472T468-F470 HydrophobicContact CG2-CE2 3.91Å; F470-H472 AromaticContact CD1-CE1 3.73Å; F470-H472 AromaticContact CD1-ND1 3.93Å
471S31.8Very low32.3Very low106 Ų106153.6 Ų153.674%0.74174%0.741SS**  trans-84.4105.6158.7420000109.4I473S471-I473 PolarHBondContact O-N 3.2Å
472H33.1Very low32.5Very low140 Ų140156.4 Ų156.465%0.64874%0.742SS**  trans-83.9112.3176.6-91.146.7000111.6F470F470-H472 AromaticContact CD1-CE1 3.73Å; F470-H472 AromaticContact CD1-ND1 3.93Å
473I37.9Very low32.4Very low138 Ų138159.9 Ų159.971%0.70875%0.746SS**  trans-104.5115167.7-61.1174.3000107.2S471S471-I473 PolarHBondContact O-N 3.2Å
474H32.3Very low32.4Very low156 Ų156161.6 Ų161.672%0.72276%0.755SS**PPolyproline II helixtrans-81.7118.3179.5-87.7-105.7000111.6
475Y31.6Very low32.4Very low214 Ų214162.7 Ų162.784%0.83976%0.76SS**PPolyproline II helixtrans-86.4119.1167.9-79-93.3000110.7
476H33.1Very low32.3Very low163 Ų163157.9 Ų157.976%0.75576%0.757SS**PPolyproline II helixtrans-85121.2165-87.9-98.2000110.3
477R25.8Very low31.7Very low227 Ų227162 Ų16286%0.85777%0.77SS**  trans-101.485.3-174.8-172.4-176.8-173.5176.74.1111.2
478H29.9Very low31.7Very low161 Ų161161.5 Ų161.575%0.74577%0.767SS**  trans-76.9127.3166.8-81.3-100.6000110.4
479R29.4Very low31.5Very low187 Ų187161.4 Ų161.471%0.70678%0.782SS**  trans-112.498.8176.3178.9-175.6172.3106.54.7108.2H481R479-H481 PolarHBondContact NE-NE2 3.44Å
480H33.3Very low31.5Very low172 Ų172164 Ų16480%0.79678%0.784SS**PPolyproline II helixtrans-69135.3167.6-72.2-102.2000109.1
481H30.7Very low31.4Very low145 Ų145160 Ų16067%0.67179%0.786SS**PPolyproline II helixtrans-97121.4162.5-88.5-115.6000107.4R479R479-H481 PolarHBondContact NE-NE2 3.44Å
482H30.3Very low32.3Very low180 Ų180160.8 Ų160.883%0.83379%0.789SS**PPolyproline II helixtrans-100.4140.6167.1-145.9-79.8000107.6
483Y28.3Very low32.3Very low218 Ų218158.7 Ų158.786%0.85579%0.79SS**PPolyproline II helixtrans-88.6146.4164.8-87.9-92.6000109.4
484E31.9Very low32.1Very low190 Ų190164 Ų16489%0.88880%0.801SS**  trans-153.1147.8155.3-145.8167.1-155.100107.3
485E30.1Very low32Very low198 Ų198159.5 Ų159.593%0.92580%0.796SS**  trans-102.6153.6-175.3-66.5-179.8113.600111.3
486G31.6Very low32.1Very low73 Ų73154.1 Ų154.175%0.75379%0.79SS**  trans150.778.9168.100000118.4
487E30.8Very low32.1Very low166 Ų166152.3 Ų152.378%0.77679%0.786SS**  trans46.8125.2138.1-58.6-152.676.300124.5
488H34.5Very low32.6Very low175 Ų175149.6 Ų149.681%0.8178%0.783SS**  trans51.8113.7132.3-60.3116.8000122.7
489G32.3Very low33Very low81 Ų81148.6 Ų148.684%0.83578%0.778SS**  trans-176.6124.2161.900000116.3
490Q33.5Very low33.4Very low203 Ų203147 Ų14795%0.94978%0.779SS**  trans-62.2154.5-175.3-60.8159.51.300115.8
491G27.6Very low33.2Very low68 Ų68141.3 Ų141.370%0.70177%0.767SS**  trans-94.6-156.1161.200000112.3
492P51.3Low33.4Very low122 Ų122139.5 Ų139.579%0.79278%0.777SS**  cis-144.2-172.73.138.8-17.5000116.6
493S32.8Very low33.5Very low96 Ų96135.2 Ų135.267%0.67177%0.773SS**  trans98.9128.1146.9-52.80000122.9
494R32.2Very low33.7Very low250 Ų250129.7 Ų129.794%0.94377%0.772SS**  trans58.3154.6142.8-64.1173.3171.7167.7-4.7118.7
495G31Very low33.8Very low60 Ų60124.6 Ų124.662%0.61976%0.763SS**  cis-150.2165.8-7.500000108.5
496S32.9Very low33.9Very low102 Ų102120.7 Ų120.771%0.71376%0.757SS**  66.612360.8116.80000110.8
497D33.8Very low34.1Very low124 Ų124121.4 Ų121.466%0.66376%0.756SS**  cis-154.5175.98.2-68.1-62.7000112.3
498E37.3Very low34.1Very low170 Ų170120.2 Ų120.279%0.79476%0.76SS**  trans45.6153.9133.1-71.9172.716400123
499E38.2Very low33.9Very low140 Ų140115.3 Ų115.365%0.65476%0.757SS**  cis-172.8164.2-9.4166.4169.964.600112.5
500Q36.6Very low34Very low154 Ų154119.9 Ų119.972%0.7276%0.757SS**  trans66.5-175.7156.8-83.8162.338.700121.2K458K458-Q500 PolarHBondContact NZ-O 3.14Å
501G30.2Very low33.9Very low52 Ų52115.7 Ų115.754%0.53674%0.741SS.*  trans120.299167.300000116.6K458K458-G501 PolarHBondContact NZ-O 2.9Å
502A34.6Very low34.4Very low108 Ų108121.2 Ų121.289%0.89375%0.746SS**  trans-71.2176.3164.800000112.5
503A32.5Very low33.4Very low90 Ų90122.1 Ų122.174%0.74474%0.744SS**  cis-174.3169.8-29.400000108.9
504A32.9Very low33.2Very low102 Ų102122.2 Ų122.284%0.84374%0.744SS**  trans65.2162.1164.200000118.2
505A33.7Very low34.3Very low83 Ų83115.9 Ų115.969%0.68674%0.736SS**  cis-168.2159.7-3300000111.8
506S32.5Very low34.3Very low115 Ų115117.5 Ų117.580%0.80474%0.743SS**  trans68.1148.5147.860.20000123.7
507A34.8Very low34Very low88 Ų88118.3 Ų118.373%0.72775%0.747SS**  trans74.9150.7148.900000120.8
508T31.8Very low35.1Very low141 Ų141117.9 Ų117.987%0.86575%0.752SS**  -172.4138.9-5218.40000110.7
509G30.3Very low35.8Very low73 Ų73115.2 Ų115.275%0.75375%0.749SS**  trans73.4175.1166.300000116.8
510Q33.7Very low35.3Very low176 Ų176116.3 Ų116.382%0.82275%0.751SS**  cis-163.3163.4-17.9-143.8173.8-80.500111
511D31.3Very low34.9Very low115 Ų115116.6 Ų116.662%0.61575%0.752SS**  trans52.6106157.7-68.5-46.5000124.6
512K39.1Very low34.9Very low185 Ų185119.3 Ų119.380%0.80476%0.763SS**  45.412897.3-180-172.8175.3-171.70121.3
513D29.7Very low35.2Very low141 Ų141120 Ų12075%0.75476%0.759SS**  trans-166.6146.9132.9-132.4-30000118.1
514S29.1Very low34.9Very low97 Ų97121 Ų12168%0.67876%0.759SS**  trans52.3165.9141.1-780000125
515P53.9Low34.6Very low118 Ų118124.9 Ų124.977%0.76676%0.759SS**  cis-141.3177.9-32.938.8-21.5000117.2
516A31.1Very low34.3Very low93 Ų93126.3 Ų126.377%0.76976%0.763SS**  trans95.3-161.914700000120.3
517C26.7Very low34.5Very low119 Ų119127 Ų12780%0.80477%0.765SS**  trans-159.9-175.7-146.7-71.90000108.9
518P57.6Low34.4Very low116 Ų116132.1 Ų132.175%0.75377%0.771SS**  cis-129-145.35.743.4-23000110.7
519P50.7Low34.8Very low113 Ų113130.8 Ų130.873%0.73476%0.764SS**  cis-130.5-154.1-16.245.9-27.5000111.6
520K28.5Very low34.6Very low163 Ų163135.6 Ų135.671%0.70977%0.767SS**  cis-156.7144.7-11.7-143.1-176.7-174.2-130.50110.9
521H29Very low35.5Very low160 Ų160132.1 Ų132.174%0.74176%0.76SS**  trans56.5154.8161.1-64.8-48.3000122
522S30.1Very low35.4Very low109 Ų109132.1 Ų132.176%0.76276%0.764SS**  trans-146.7-171.8-171.964.90000107.4
523P39.9Very low34.9Very low123 Ų123130.6 Ų130.680%0.79977%0.765SS**  cis-138.1-145.117.843.9-21.7000115.1
524C26.7Very low34.8Very low110 Ų110134.8 Ų134.874%0.74377%0.77SS**  trans-110.3164.6-158.453.70000115.8
525H27.3Very low35.3Very low185 Ų185136 Ų13686%0.85678%0.775SS**  trans-168.9154.6142.3-120.3-83.8000113.6
526C26.1Very low34.1Very low112 Ų112135.5 Ų135.576%0.75778%0.775SS**  trans-112.4157163.5-58.90000109
527P38.3Very low34.8Very low130 Ų130137.2 Ų137.284%0.84478%0.778SS**  -155.6-170.685.443-22.8000116.9
528K32Very low35Very low196 Ų196134.7 Ų134.785%0.85277%0.772SS**  trans-91.5173.8158.8-102.1-174.5176.3-173.50109.7
529P40.7Very low33.9Very low113 Ų113134.8 Ų134.873%0.73477%0.771SS**  cis-149.1-155.732.944.8-21.4000117.4
530E25.7Very low33Very low173 Ų173136.1 Ų136.181%0.80877%0.768SS**  trans-35.8-177.3163.7-82.5164.4111.600121.4
531P52.8Low33.1Very low103 Ų103137.1 Ų137.167%0.66977%0.767SS**  cis-142.3-158.8-19.932.2-8000115.7
532T29.4Very low33.3Very low116 Ų116136 Ų13671%0.71276%0.762SS**  trans94.4127.414128.60000125.5
533D27.6Very low33.3Very low152 Ų152136.6 Ų136.681%0.81376%0.756SS**  trans83.6158134.8-88.6-49000128.1
534R27.6Very low32.9Very low230 Ų230137.3 Ų137.387%0.86875%0.753SS**  trans-80.7-179.3179.3-80178165-173.4-3.1112.9
535P39.9Very low33Very low122 Ų122137.8 Ų137.879%0.79275%0.748SS**  cis-140-165.713.142.1-20.4000117.4
536S29.7Very low33.2Very low107 Ų107137.1 Ų137.175%0.74875%0.745SS**  trans-69.3-171.3171.9-28.50000113.9
537P45.2Very low33.3Very low129 Ų129138.3 Ų138.384%0.83875%0.749SS**  cis-145.5-178.41244.5-24.7000119.1
538G30.1Very low32.7Very low67 Ų67135.3 Ų135.369%0.69174%0.742SS**  trans101.3157.5147.900000119.2
539T34Very low33.2Very low118 Ų118131.9 Ų131.972%0.72474%0.74SS**  cis-167.4138.2-4.7-70.50000111.6
540E32.8Very low33.3Very low141 Ų141132 Ų13266%0.65974%0.74SS**  trans62.9158.3158.6-74.6178.2123.600120.9
541R29.6Very low33.3Very low184 Ų184130 Ų13069%0.69474%0.74SS**  cis-148.2142.6-3-118.1177.3-153.8-165.26.3109.3
542Q34.4Very low32.1Very low136 Ų136132.8 Ų132.864%0.63675%0.747SS**  55.314495.7-63.6-163.9-81.200116.3
543D29.7Very low32.2Very low121 Ų121133.3 Ų133.365%0.64775%0.75SS**  cis-152.2-177.14.8-1207.4000108.6
544L32.5Very low33.5Very low139 Ų139131.4 Ų131.473%0.72875%0.746SS**  cis-155.1172.215.2-139.5177.9000108.5
545D28.8Very low33.9Very low120 Ų120126.6 Ų126.664%0.64274%0.744SS**  trans70.5153.4158.3-11716.4000116.3
546Q31.6Very low33.3Very low171 Ų171128.2 Ų128.280%0.79975%0.745SS**  cis-123.6169.3-1.6-90.2-169.3-4.100113.7
547T27.4Very low33Very low137 Ų137127.7 Ų127.784%0.8474%0.741SS**  trans-103.8151.9-17754.70000112.6
548G25.8Very low32.2Very low66 Ų66128.1 Ų128.168%0.6874%0.736SS**  cis-165.4-170.815.500000115.3
549P41.4Very low31.9Very low125 Ų125133.8 Ų133.881%0.81274%0.744SS**  trans-133-145.9-143.946-28000111.9
550P44.1Very low31.5Very low115 Ų115134.5 Ų134.575%0.74774%0.743SS**  cis-135.6-170.2-15.540-20000116.2
551V25.8Very low31.2Very low132 Ų132134 Ų13480%0.874%0.74SS**  trans-59.1168.5172.5-161.50000115.5
552I26.2Very low31.3Very low161 Ų161131 Ų13183%0.82675%0.745SS**  trans112.4158.4157.1-57.4175.6000116
553V33Very low31Very low127 Ų127131.5 Ų131.577%0.7775%0.747SS**  trans-136.7163.3-155.7-177.70000109.6
554P53.8Low30.8Very low111 Ų111131.2 Ų131.272%0.72175%0.753SS**  cis-110-165.5-3838.6-22.6000111
555P37Very low30.6Very low129 Ų129129.6 Ų129.684%0.83875%0.752SS**  -155.3-161.289.343-21.7000116.1
556I25.7Very low30.5Very low156 Ų156133 Ų13380%0.876%0.764SS**  trans-87.2149.5-165.9-71.8154.5000114.8
557S25.3Very low30.3Very low97 Ų97133.8 Ų133.868%0.67877%0.768SS**  trans124.9141.8130.9-1130000122.7
558L27Very low30.1Very low138 Ų138130.9 Ų130.972%0.72377%0.765SS**  trans77106.7143.4-70.7162.6000123.1L560L558-L560 HydrophobicContact CD2-CD1 3.42Å; L558-L560 VanDerWaalsContact CD2-CD1 3.42Å
559Q24.8Very low30.4Very low186 Ų186137.8 Ų137.887%0.86978%0.779SS**  -152.8107.9107.7-146.3158.5-2.900109
560L25.4Very low29.5Very low132 Ų132135.5 Ų135.569%0.69178%0.778SS**  44.8132.5105.7-90.571.4000116.1L558L558-L560 HydrophobicContact CD2-CD1 3.42Å; L558-L560 VanDerWaalsContact CD2-CD1 3.42Å
561Q27.1Very low28.7Very low130 Ų130139.1 Ų139.161%0.60779%0.785SS**  cis-168.5165.2-23.2-144.1-162.22200108.5H563Q561-H563 PolarHBondContact NE2-CD2 3.44Å; Q561-H563 PolarHBondContact NE2-CE1 3.42Å; Q561-H563 PolarHBondContact NE2-NE2 3.18Å; Q561-H563 PolarHBondContact OE1-CD2 2.88Å; Q561-H563 PolarHBondContact OE1-NE2 2.78Å
562P31.7Very low29.5Very low122 Ų122138.4 Ų138.479%0.79278%0.783SS**  -150.6172.39938.3-20.5000116.4
563H27.1Very low30.3Very low146 Ų146136.7 Ų136.768%0.67678%0.782SS**  trans-89.4164.6167.2-68.6-80.7000110.9Q561Q561-H563 PolarHBondContact NE2-CD2 3.44Å; Q561-H563 PolarHBondContact NE2-CE1 3.42Å; Q561-H563 PolarHBondContact NE2-NE2 3.18Å; Q561-H563 PolarHBondContact OE1-CD2 2.88Å; Q561-H563 PolarHBondContact OE1-NE2 2.78Å
564C25.9Very low30.2Very low115 Ų115134.6 Ų134.678%0.77778%0.778SS**  cis-151.7-175.85-137.30000112.4
565C28.3Very low29.4Very low105 Ų105135.1 Ų135.171%0.70978%0.781SS**  trans-77154.4-170.1-46.50000115.9
566H25.8Very low29Very low192 Ų192136.3 Ų136.389%0.88978%0.78SS**  -170.7-178.9113.3-108.2-74.6000113.4
567Q27.5Very low29.2Very low188 Ų188136 Ų13688%0.87979%0.785SS**  trans-128.5135.4-161.1173.3-173.96.100110
568G23.8Very low29.2Very low75 Ų75135 Ų13577%0.77379%0.79SS**  trans178.716117800000116.4
569H30.8Very low29.3Very low211 Ų211132.3 Ų132.398%0.97780%0.795SS**  trans-91.4153174.3-72.5-111.9000111.9
570G24.3Very low29.5Very low78 Ų78129.5 Ų129.580%0.80480%0.795SS**  trans164.7139.116200000116.5
571H26Very low29.7Very low191 Ų191131.4 Ų131.488%0.88481%0.805SS**  trans-88.4173.6157-65-91.5000109.3
572P43.6Very low30.2Very low117 Ų117132.9 Ų132.976%0.7682%0.816SS**  cis-120.9-137.8-6.140.3-19.6000109.1
573P41.8Very low30.3Very low125 Ų125135.1 Ų135.181%0.81282%0.821SS**  cis-130.4-78.7-19.531.3-8.6000117.1
574A30.6Very low30.7Very low82 Ų82130.7 Ų130.768%0.67882%0.815SS**  trans-162.4168.8-158.300000109.1
575P37.1Very low31.3Very low122 Ų122131.6 Ų131.679%0.79282%0.819SS**  cis-139-162.643.342.1-21.5000116.3
576L29.2Very low31.7Very low155 Ų155129.5 Ų129.581%0.81281%0.806SS**  trans-78.6161.4-167.9-62.476.6000115.6
577V30Very low32.1Very low150 Ų150123.3 Ų123.391%0.90978%0.782SS**  156.7134.9124.4159.90000108.1
578G26.6Very low32.6Very low76 Ų76120 Ų12078%0.78477%0.766SS**  cis168.5150-5.200000109.7
579G28.7Very low33Very low80 Ų80122.9 Ų122.983%0.82576%0.758SS**  trans165.573.7-176.600000113.7
580C28.3Very low33.5Very low128 Ų128119.9 Ų119.987%0.86574%0.744SS**  trans-81.8147.9178.5-55.50000111.6
581L29.5Very low34.2Very low171 Ų171123.2 Ų123.290%0.89574%0.738SS**  trans-119.4133.1156.2-158.3143.2000107
582L37Very low34.8Very low161 Ų161118.3 Ų118.384%0.84373%0.725SS**PPolyproline II helixtrans-95122.9-169.2-76.5156000110.4
583D33.7Very low34.9Very low170 Ų170120.5 Ų120.591%0.90973%0.73SS**PPolyproline II helixtrans-84153.9170.2-119.1-37.3000111.5
584G35.5Very low35Very low53 Ų53122 Ų12255%0.54673%0.731SS.*PPolyproline II helixtrans-77.6173.6-178.800000114.3S586G584-S586 PolarHBondContact O-N 3.46Å; G584-S586 VanDerWaalsContact O-N 3.13Å
585P38.5Very low35.6Very low133 Ų133124.7 Ų124.786%0.86473%0.733SS**  trans-64.7112.7177.926.9-34.1000111.6
586S37.9Very low36Very low62 Ų62128.4 Ų128.443%0.43474%0.74SS.*  trans-84.6140.8179.157.10000112.6G584 H588G584-S586 PolarHBondContact O-N 3.46Å; G584-S586 VanDerWaalsContact O-N 3.13Å; S586-H588 WeakPolarHBondContact CB-NE2 3.48Å; S586-H588 PolarHBondContact OG-NE2 3.24Å
587V33.8Very low36.6Very low61 Ų61128.4 Ų128.437%0.3774%0.741SS.*EExtended strand (participates in β ladder)trans-104.8123.2171.9179.80000108.6F589 I603 Y605V587-F589 HydrophobicContact CG1-CE2 4.07Å; V587-F589 HydrophobicContact CG1-CZ 4Å; V587-I603 HydrophobicContact CG1-CG2 3.63Å; V587-Y605 HydrophobicContact CG2-CD1 4.03Å; V587-Y605 HydrophobicContact CG2-CE1 3.71Å
588H37.2Very low37Very low118 Ų118126.4 Ų126.455%0.54673%0.725SS.*EExtended strand (participates in β ladder)trans-106.8130-179.8-64.4-84.4000110.8S586 H604S586-H588 WeakPolarHBondContact CB-NE2 3.48Å; S586-H588 PolarHBondContact OG-NE2 3.24Å; H588-H604 PolarHBondContact O-N 3.29Å
589F33.5Very low38Very low137 Ų137132.3 Ų132.360%0.60172%0.724SS**EExtended strand (participates in β ladder)trans-103.2134.1174.2-60.2-86000108.9V587 I601 I603V587-F589 HydrophobicContact CG1-CE2 4.07Å; V587-F589 HydrophobicContact CG1-CZ 4Å; F589-I601 HydrophobicContact CD1-CG2 4.01Å; F589-I603 HydrophobicContact CD1-CG1 4.09Å; F589-I603 HydrophobicContact CE1-CD1 3.97Å; F589-I603 HydrophobicContact CE1-CG1 3.88Å
590H40.2Very low38.4Very low148 Ų148129.5 Ų129.569%0.68569%0.691SS**EExtended strand (participates in β ladder)trans-130.8131.8175.9-145.1-115.6000109.6
591Q40.4Very low38.9Very low148 Ų148129.2 Ų129.269%0.69268%0.68SS**  trans-112.2114.9174.2-174.8170.67.300108.1
592S38.4Very low39.3Very low87 Ų87125 Ų12561%0.60866%0.656SS**  trans-66.4140.5171.1-172.70000109.7
593L45Very low39.3Very low163 Ų163121.2 Ų121.285%0.85364%0.635SS**  trans-1191.6-177.6-109.9160.3000113.2
594D43.3Very low39.4Very low156 Ų156117.7 Ų117.783%0.83461%0.613SS**SBendtrans-95.5-4.9-170.4-104.2-16.1000115.2
595L43.4Very low39.6Very low139 Ų139124.1 Ų124.173%0.72862%0.622SS**SBendtrans-136124.3174.4-72.7174000110.1D597L595-D597 PolarHBondContact O-N 3.08Å
596Q45.7Very low39.5Very low200 Ų200120.2 Ų120.294%0.93561%0.607SS**THydrogen-bonded Turntrans-81.5-4-158.7-146.4175.951.500116.1
597D42.9Very low39.6Very low156 Ų156126.7 Ų126.783%0.83463%0.63SS**THydrogen-bonded Turntrans-117.9-6.5-175.5-98.3-46.2000115.4L595L595-D597 PolarHBondContact O-N 3.08Å
598D37.5Very low39.4Very low108 Ų108129.1 Ų129.158%0.57865%0.649SS**  trans-92.5126.5179.3-143.3-43.1000111.5S600D598-S600 PolarHBondContact OD1-N 2.93Å; D598-S600 PolarHBondContact OD1-OG 3.46Å
599R47.3Very low39.5Very low200 Ų200129.8 Ų129.876%0.75566%0.664SS**  trans-121.337.3-178.9-61-170.5-171.8-170.43111.9
600S36.9Very low39.3Very low21 Ų21127.1 Ų127.115%0.14767%0.668CS.*PPolyproline II helixtrans-79.6134.4170.544.40000111.1D598 H602D598-S600 PolarHBondContact OD1-N 2.93Å; D598-S600 PolarHBondContact OD1-OG 3.46Å; S600-H602 WeakPolarHBondContact CB-NE2 3.32Å; S600-H602 PolarHBondContact OG-NE2 3.25Å
601I38.6Very low38.7Very low122 Ų122130.9 Ų130.963%0.62668%0.677SS**PPolyproline II helixtrans-102.4120.9167.9-61.5174.5000106.8F589F589-I601 HydrophobicContact CD1-CG2 4.01Å
602H38.7Very low38.2Very low83 Ų83129.8 Ų129.838%0.38469%0.685SS.*EExtended strand (participates in β ladder)trans-97.8134178.9-63.2-88.9000109.7S600S600-H602 WeakPolarHBondContact CB-NE2 3.32Å; S600-H602 PolarHBondContact OG-NE2 3.25Å
603I36.8Very low37.7Very low81 Ų81131.5 Ų131.542%0.41570%0.695SS.*EExtended strand (participates in β ladder)trans-117.7119.2-177.5-57179.7000107.6V587 F589 Y605V587-I603 HydrophobicContact CG1-CG2 3.63Å; F589-I603 HydrophobicContact CD1-CG1 4.09Å; F589-I603 HydrophobicContact CE1-CD1 3.97Å; F589-I603 HydrophobicContact CE1-CG1 3.88Å; I603-Y605 HydrophobicContact CG2-CE2 4.09Å
604H36.1Very low37.5Very low95 Ų95129.6 Ų129.644%0.4469%0.692SS.*EExtended strand (participates in β ladder)trans-112.8131.4177.7-64.9-86.6000110.8H588H588-H604 PolarHBondContact O-N 3.29Å
605Y38.7Very low37.5Very low188 Ų188127.5 Ų127.574%0.73769%0.688SS**EExtended strand (participates in β ladder)trans-99.2104.7168.6-62.7-83.1000108.1V587 I603V587-Y605 HydrophobicContact CG2-CD1 4.03Å; V587-Y605 HydrophobicContact CG2-CE1 3.71Å; I603-Y605 HydrophobicContact CG2-CE2 4.09Å
606G37.3Very low37.7Very low52 Ų52125.6 Ų125.654%0.53668%0.684SS.*PPolyproline II helixtrans-93.8138.2177.600000111.7
607Q39Very low36.8Very low198 Ų198124.2 Ų124.293%0.92568%0.677SS**PPolyproline II helixtrans-101.3132.3159.7-72-178-17.300108.5
608S30.5Very low36.1Very low111 Ų111124.6 Ų124.678%0.77668%0.678SS**PPolyproline II helixtrans-70.4134.9-178.752.90000111.7A610S608-A610 PolarHBondContact O-N 2.99Å
609P40Very low35.6Very low133 Ų133127.7 Ų127.786%0.86469%0.689SS**  trans-80.8113.5-174.330.9-34.3000112.7
610A28.9Very low35.5Very low81 Ų81124 Ų12467%0.66969%0.691SS**  trans-151.3139.316800000113S608S608-A610 PolarHBondContact O-N 2.99Å
611Y27.4Very low35Very low227 Ų227127 Ų12789%0.8972%0.717SS**  trans74.5154171.2-70.6-79.9000120.3
612C29.1Very low34.6Very low125 Ų125129.8 Ų129.885%0.84573%0.732SS**  trans-123.1164.1-166.8-56.90000112.3
613C28.8Very low33.9Very low123 Ų123133.8 Ų133.883%0.83176%0.755SS**  trans-70-179.7-176.5-44.10000113.8
614P41.2Very low33.9Very low122 Ų122135.6 Ų135.679%0.79277%0.772SS**  cis-138.9-136.115.840.1-13.8000115.5
615P42.9Very low33.4Very low113 Ų113137.8 Ų137.873%0.73479%0.792SS**  -125.5-159.5-126.242.5-18.9000113.2
616P46.5Very low33Very low99 Ų99133.3 Ų133.364%0.64379%0.786SS**  cis-138.4-174.11.445-26.1000117.8
617E28.4Very low32.4Very low170 Ų170139.3 Ų139.379%0.79481%0.805SS**  trans62.497.5152.3-77.9166.4-124.600121.5
618L28.6Very low31.8Very low164 Ų164137.3 Ų137.386%0.85980%0.799SS**  -174.9162.6101.8-96.7158.4000111.8
619H26.7Very low31.9Very low174 Ų174139.2 Ų139.281%0.80680%0.8SS**  trans-137.4-174.7-177-51-21.6000108.9
620P43.9Very low31.2Very low122 Ų122140.8 Ų140.879%0.79280%0.801SS**  cis-137.9-168.9-4.539.8-20.1000115.5
621A27Very low31.6Very low85 Ų85141.5 Ų141.570%0.70280%0.801SS**  trans106.3100.3141.200000120.3
622L29.6Very low31.5Very low179 Ų179135.7 Ų135.794%0.93780%0.8SS**  -135.4153.6128.5-79.8-175.9000109.2
623L25.6Very low31.4Very low167 Ų167132.9 Ų132.987%0.87479%0.792SS**  trans-105.2146.1-169.9-74.4163.2000112.9
624P36.6Very low31.7Very low119 Ų119134.3 Ų134.377%0.77379%0.79SS**  trans-90.5147.2171.235.8-33000112.5
625V24Very low31Very low141 Ų141136.9 Ų136.986%0.85579%0.791SS**  trans-137138.9166.8176.30000107.7
626P30.3Very low30.4Very low94 Ų94138.9 Ų138.961%0.6179%0.791SS**  trans-108.3167.6-144.440.1-36.3000115.8I628P626-I628 HydrophobicContact CG-CG1 4.33Å
627L25.3Very low29.5Very low178 Ų178144.1 Ų144.193%0.93280%0.798SS**  trans-109.3126.4147-70176.2000108.2
628I27.5Very low30.1Very low156 Ų156141.3 Ų141.380%0.879%0.794SS**  trans-90.6125-177.9-66.9173.2000108.9P626P626-I628 HydrophobicContact CG-CG1 4.33Å
629L31.9Very low30Very low152 Ų152138.6 Ų138.680%0.79679%0.788SS**  trans-81.5150.9163-75.7155.9000109.5
630D25.7Very low30.3Very low166 Ų166136.6 Ų136.689%0.88879%0.792SS**  trans-124.8141.6161-152.5-10.5000108.6
631S36Very low29.6Very low96 Ų96134.8 Ų134.867%0.67180%0.796SS**  trans-146.4153.6-150-60.10000113.1
632A25.6Very low29.8Very low105 Ų105134.2 Ų134.287%0.86880%0.798SS**  trans-152.3123.3171.700000113.5
633G28.3Very low30.2Very low66 Ų66129.3 Ų129.368%0.6878%0.783SS**  trans91.3111.7174.700000114
634I33.6Very low30.7Very low153 Ų153129.8 Ų129.879%0.78578%0.78SS**  cis78.8126.743.8-55.4168.1000111
635E27.3Very low30.8Very low176 Ų176128.8 Ų128.882%0.82277%0.772SS**  cis-128.2-117.211.7-151140.8-110.900114.8
636E30.3Very low31.6Very low155 Ų155128.5 Ų128.572%0.72477%0.77SS**  trans-141.9139.6-154.9-85.9-157.2124.200117.1
637W27.4Very low31.6Very low209 Ų209132.9 Ų132.979%0.79278%0.775SS**  trans56.2165.8144.6-61.2122.2000122.2
638P40.4Very low32.1Very low110 Ų110131.1 Ų131.171%0.71476%0.762SS**  cis-128.5165.62.342-27.2000118.1
639C27.3Very low32.4Very low108 Ų108132.6 Ų132.673%0.7376%0.757SS**SBendtrans75.6134.7156.1-70.40000121.8
640C33Very low32.4Very low132 Ų132134.1 Ų134.189%0.89276%0.76SS**  trans59.276.2166.1-60.10000116.8
641G29.8Very low32.9Very low84 Ų84132.3 Ų132.387%0.86676%0.755SS**  trans-69.3148.3-179.500000115.5
642G30.5Very low32.5Very low73 Ų73136.8 Ų136.875%0.75377%0.765SS**  trans-91.2-175.2174.900000114.3
643A37.7Very low32.7Very low75 Ų75139.3 Ų139.362%0.6276%0.759SS**PPolyproline II helixtrans-72.2142.2-178.900000113
644H35.6Very low32.7Very low177 Ų177140.6 Ų140.682%0.81976%0.763SS**PPolyproline II helixtrans-73.3129.1175.2-78-94.6000112.1
645V40.1Very low32.5Very low98 Ų98142.2 Ų142.259%0.59477%0.767SS**PPolyproline II helixtrans-84.9124.3167.3-177.80000109.1
646V40.4Very low32.7Very low135 Ų135139.3 Ų139.382%0.81877%0.766SS**  trans-105.7-23-172.1-176.10000113
647W31.1Very low32.6Very low187 Ų187140.9 Ų140.971%0.70877%0.774SS**  trans-159.4149.2179.9-166.671.7000112.7R649W647-R649 HydrophobicContact CD2-CB 4.5Å; W647-R649 HydrophobicContact CE3-CB 4.29Å; W647-R649 HydrophobicContact CH2-CB 3.46Å; W647-R649 VanDerWaalsContact CH2-CB 3.46Å; W647-R649 HydrophobicContact CH2-CG 4.12Å; W647-R649 HydrophobicContact CZ2-CB 3.65Å; W647-R649 HydrophobicContact CZ2-CG 4.22Å; W647-R649 HydrophobicContact CZ3-CB 3.78Å
648Q34.4Very low33.1Very low140 Ų140136.8 Ų136.865%0.65477%0.774SS**  trans-144.7133173.4-172-178.612.700109.5
649R33.6Very low32.6Very low187 Ų187140.9 Ų140.971%0.70678%0.783SS**  trans-147.5128.2173.9-173175.6-177.7176.92.1111W647W647-R649 HydrophobicContact CD2-CB 4.5Å; W647-R649 HydrophobicContact CE3-CB 4.29Å; W647-R649 HydrophobicContact CH2-CB 3.46Å; W647-R649 VanDerWaalsContact CH2-CB 3.46Å; W647-R649 HydrophobicContact CH2-CG 4.12Å; W647-R649 HydrophobicContact CZ2-CB 3.65Å; W647-R649 HydrophobicContact CZ2-CG 4.22Å; W647-R649 HydrophobicContact CZ3-CB 3.78Å
650Q32.9Very low32.8Very low185 Ų185144.2 Ų144.286%0.86479%0.793SS**  trans-82.8142178.8-147.6173.524.100110.6
651V35Very low32.7Very low127 Ų127146.8 Ų146.877%0.7779%0.794SS**  trans-129.7136.2-176.9-175.90000109.9
652Q28.9Very low32.8Very low190 Ų190145.9 Ų145.989%0.88879%0.785SS**  trans-86.2137.9174.8-71.1-175.8-14.600111.2
653Q29.9Very low33.4Very low159 Ų159149.2 Ų149.274%0.74379%0.793SS**  trans-92.4115.6-172.2-172.7175.712.100112.4H655Q653-H655 PolarHBondContact O-ND1 3.22Å
654A28.3Very low33Very low92 Ų92149.2 Ų149.276%0.7680%0.801SS**  trans-67.9144.5165.200000110.5
655H28.6Very low32.8Very low187 Ų187147.7 Ų147.787%0.86680%0.804SS**  trans-89.8140-177.2-64.919.7000111.6Q653Q653-H655 PolarHBondContact O-ND1 3.22Å
656S31.3Very low32.5Very low115 Ų115148.2 Ų148.280%0.80481%0.812SS**  trans-134.1136.4168.949.40000109.9
657E28.8Very low32.1Very low189 Ų189149.8 Ų149.888%0.88381%0.812SS**PPolyproline II helixtrans-81.4151.7179-73.2-176.7114.200112.2
658P36.6Very low32.1Very low123 Ų123148 Ų14880%0.79982%0.817SS**PPolyproline II helixtrans-81.4142178.733.1-34.6000112.4
659Q31.1Very low32Very low195 Ų195152.7 Ų152.791%0.91183%0.828SS**PPolyproline II helixtrans-87.6139.8167-74.7-171.1-46.100111.6
660L30.3Very low32Very low178 Ų178149.1 Ų149.193%0.93283%0.83SS**PPolyproline II helixtrans-80.1133.3175.6-72.9151000110.8
661M31.9Very low32Very low186 Ų186146.3 Ų146.392%0.91683%0.827SS**PPolyproline II helixtrans-93.1141.5165.6-79.7174.158.600111
662G32.1Very low31.6Very low65 Ų65145.8 Ų145.867%0.6783%0.828SS**  trans-81.3174.5174.800000113.7G664G662-G664 PolarHBondContact O-N 3.41Å
663P42.9Very low31.6Very low144 Ų144148.3 Ų148.394%0.93583%0.83SS**  trans-74.2120.1-175.229.6-34.2000112.5
664G29.7Very low31.5Very low75 Ų75149.8 Ų149.877%0.77383%0.834SS**  trans-111.8138.8168.800000111.3G662G662-G664 PolarHBondContact O-N 3.41Å
665T31.5Very low31.5Very low145 Ų145154.4 Ų154.489%0.8984%0.839SS**  trans-81.5150.6-175.7470000113.3
666S34Very low31.6Very low109 Ų109154.7 Ų154.776%0.76284%0.841SS**  trans-70.1140.9175.555.50000113.8
667M31.5Very low31.6Very low167 Ų167152.5 Ų152.582%0.82384%0.836SS**  trans-155.5161.7134.8-99.6-43.5-154.400111.8
668D30Very low32Very low150 Ų150149.4 Ų149.480%0.80283%0.832SS**  trans55.4113.7164.5-59.4-28.3000120.4
669R32.6Very low31.8Very low238 Ų238149.3 Ų149.390%0.89884%0.835SS**  trans-132.5114.3174.2-173.9-175-165.9174.56.2109.4
670P33.4Very low31.9Very low113 Ų113145 Ų14573%0.73483%0.833SS**PPolyproline II helixtrans-65.2154.2176.4-23.134.8000113.1
671P33.8Very low32.2Very low126 Ų126145.4 Ų145.482%0.81883%0.83SS**PPolyproline II helixtrans-84.5137.6-17232.5-35.2000113.9
672C27.2Very low32.4Very low116 Ų116148.1 Ų148.178%0.78483%0.83SS**PPolyproline II helixtrans-73132.2169.4-58.20000111
673R28.8Very low32.3Very low243 Ų243152.5 Ų152.592%0.91784%0.838SS**PPolyproline II helixtrans-83.1129167.1-82.2-176170174.4-2.7110.3
674F26.8Very low31.9Very low189 Ų189151.5 Ų151.583%0.82983%0.829SS**PPolyproline II helixtrans-78.4143.3167.5-80.4-97.5000111.1
675H29.2Very low31.9Very low189 Ų189155.4 Ų155.488%0.87583%0.833SS**  trans-122.9130.1154-96.3-75.2000108.3
676Q30.1Very low31.9Very low194 Ų194154.9 Ų154.991%0.90782%0.823SS**  trans-94.7136.5170.4-72.9177.9-31.100109.6
677G30.4Very low31.5Very low68 Ų68155.8 Ų155.870%0.70183%0.827SS**  trans-135.5147.8168.800000109.3
678P37.2Very low31.6Very low124 Ų124154.9 Ų154.981%0.80583%0.825SS**  trans-86.4140.3-167.732.4-35000114.7
679S32.7Very low31.4Very low121 Ų121157.3 Ų157.385%0.84683%0.825SS**  trans64.178.4145.1-53.30000120
680A32.8Very low31.3Very low105 Ų105151.5 Ų151.587%0.86882%0.819SS**  trans-156.9152.8140.100000110.7
681E37.2Very low31Very low187 Ų187152.7 Ų152.787%0.87482%0.815SS**  trans-90.7123.2-173.4-58.3173.912200113.3
682R35.9Very low30.7Very low243 Ų243151.3 Ų151.392%0.91781%0.808SS**  166.8137128-91.4164-176.9-154.2-1.1112
683N30.9Very low30.6Very low156 Ų156152.2 Ų152.283%0.83480%0.803SS**  trans-86.2126.5173.1-78.15.6000111.7
684T34.2Very low30.6Very low123 Ų123148.5 Ų148.576%0.75580%0.795SS**  trans-151.2103.5147.746.60000109I686T684-I686 PolarHBondContact O-N 3.07Å
685D29.4Very low30.6Very low158 Ų158146.9 Ų146.985%0.84579%0.79SS**  trans-74.9109.5175.1-68.9-64.3000110.7
686I31.4Very low30.5Very low134 Ų134145.4 Ų145.469%0.68779%0.788SS**  trans-107.9103.9173.5-60.9178000109T684 L688T684-I686 PolarHBondContact O-N 3.07Å; I686-L688 HydrophobicContact CG2-CD2 4.38Å; I686-L688 PolarHBondContact O-N 2.88Å
687C26.8Very low30.6Very low127 Ų127145 Ų14586%0.85879%0.787SS**  trans-75.699170.6-75.30000110.4Y689C687-Y689 PolarHBondContact O-N 3.21Å
688L32Very low30.5Very low149 Ų149145.6 Ų145.678%0.7879%0.792SS**  trans-69.6109.4170.6-69.2171.2000110.5I686 C690I686-L688 HydrophobicContact CG2-CD2 4.38Å; I686-L688 PolarHBondContact O-N 2.88Å; L688-C690 PolarHBondContact O-N 3.16Å
689Y25.8Very low30.2Very low201 Ų201145.2 Ų145.279%0.78879%0.793SS**  trans-94.480.2176.2-159.6-89.2000111.1C687 Q691C687-Y689 PolarHBondContact O-N 3.21Å; Y689-Q691 HydrophobicContact CD1-CB 4.37Å; Y689-Q691 HydrophobicContact CE1-CB 4.18Å; Y689-Q691 PolarHBondContact O-N 3.11Å
690C31.5Very low30.2Very low115 Ų115148.7 Ų148.778%0.77780%0.796SS**  trans-79.9102.6175.9-65.30000110.9L688L688-C690 PolarHBondContact O-N 3.16Å
691Q26.9Very low30.2Very low138 Ų138152.7 Ų152.765%0.64580%0.796SS**  trans-97.293.3174.3-168.4171.914.200111.4Y689 M693Y689-Q691 HydrophobicContact CD1-CB 4.37Å; Y689-Q691 HydrophobicContact CE1-CB 4.18Å; Y689-Q691 PolarHBondContact O-N 3.11Å; Q691-M693 PolarHBondContact O-N 2.95Å
692S27Very low30Very low97 Ų97151.7 Ų151.768%0.67879%0.791SS**  trans-78.298.7173.541.90000111.6H694S692-H694 PolarHBondContact O-N 3.26Å
693M25.3Very low29.9Very low136 Ų136145.1 Ų145.167%0.6778%0.783SS**  trans-78.282.2174.7-77.5-72.6-7400111.6Q691 H695Q691-M693 PolarHBondContact O-N 2.95Å; M693-H695 PolarHBondContact O-N 2.88Å
694H28.2Very low30Very low165 Ų165141.2 Ų141.276%0.76478%0.779SS**  trans-64.6118.5164.6-79.9-91.2000110.1S692S692-H694 PolarHBondContact O-N 3.26Å
695H27.8Very low30.1Very low155 Ų155146.1 Ų146.172%0.71881%0.808SS**  trans-99117.7160.6-95.256.8000108.8M693 Q697M693-H695 PolarHBondContact O-N 2.88Å; H695-Q697 PolarHBondContact O-N 2.68Å
696N28.1Very low30.1Very low157 Ų157145.5 Ų145.584%0.8481%0.807SS**  trans-68.6115.2168.5-72.7-14.9000108.7
697Q31.2Very low30.1Very low187 Ų187146.1 Ų146.187%0.87481%0.813SS**PPolyproline II helixtrans-80.3118.7163.3-68.1-177.5-0.400108.1H695H695-Q697 PolarHBondContact O-N 2.68Å
698G28.5Very low30.2Very low79 Ų79147.2 Ų147.281%0.81481%0.81SS**PPolyproline II helixtrans-79.4123.9164.500000109.1
699S29.7Very low30.1Very low116 Ų116147.1 Ų147.181%0.81181%0.812SS**PPolyproline II helixtrans-89.7136175.452.70000111.3
700E33.7Very low30.4Very low195 Ų195143.7 Ų143.791%0.91181%0.814SS**  trans-119.497168.4-70.6-169.6121.300110.6
701E33.4Very low30.3Very low189 Ų189145.6 Ų145.688%0.88382%0.816SS**  trans-163.3158.1148.644.5-164.7153.300113.3
702E31.3Very low30.6Very low165 Ų165146.1 Ų146.177%0.77183%0.828SS**  trans72.391.8171.1-72.2-108.559.900120.8
703S34.5Very low30.9Very low106 Ų106149.9 Ų149.974%0.74184%0.84SS**  61.5133.9113.175.80000122.7
704G34Very low31.3Very low73 Ų73151.1 Ų151.175%0.75385%0.854SS**  trans146.499.6155.400000117.6
705V35.3Very low31.6Very low226 Ų226149.8 Ų149.8100%1.3786%0.862SS**  trans730168.4-169.60000116.5

Retrieved 705 of 705 residues in 827.7 ms (Link to these results)

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