A0A096M070_POEFO Loading...

Adhesion G protein-coupled receptor G3

AlphaFold DB , UniProt , Accession A0A096M070, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 471 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
1E76.9Confident83.7Confident98 Ų9878.8 Ų78.846%0.45839%0.387SS..  0-57.50-163.7-167.6118.200112.8Q3 I4 I5 L27 Y84E1-Q3 VanDerWaalsContact C-N 3.27Å; E1-Q3 PolarHBondContact O-N 2.79Å; E1-Q3 VanDerWaalsContact O-N 3.14Å; E1-I4 WeakPolarHBondContact O-CA 3.49Å; E1-I4 WeakPolarHBondContact O-CB 3.35Å; E1-I4 PolarHBondContact O-N 3.31Å; E1-I5 HydrophobicContact CG-CD1 4.11Å; E1-I5 PolarHBondContact O-N 3.35Å; E1-L27 HydrophobicContact CG-CD2 3.79Å; E1-L27 WeakPolarHBondContact OE1-CD2 3.39Å; E1-Y84 WeakPolarHBondContact OE1-CE1 3.18Å; E1-Y84 PolarHBondContact OE1-OH 3.25Å
2K80.1Confident83.4Confident74 Ų7473.6 Ų73.632%0.32236%0.363SS..Hα-helixtrans-43-48.1176.4-174.2164.4-178.1159.90114I4 I5 H6 E105K2-I4 VanDerWaalsContact C-N 3.28Å; K2-I4 PolarHBondContact O-N 3.47Å; K2-I5 WeakPolarHBondContact O-CB 3.36Å; K2-I5 PolarHBondContact O-N 2.75Å; K2-H6 WeakPolarHBondContact CE-NE2 3.46Å; K2-H6 PolarHBondContact O-CD2 3.04Å; K2-H6 VanDerWaalsContact O-CD2 3.23Å; K2-H6 PolarHBondContact O-N 3.23Å; K2-E105 WeakPolarHBondContact CE-OE2 3.47Å; K2-E105 IonicContact NZ-OE1 3.52Å; K2-E105 IonicContact NZ-OE2 2.76Å; K2-E105 PolarHBondContact NZ-OE2 3.34Å; K2-E105 VanDerWaalsContact NZ-OE2 3.16Å
3Q83.9Confident82.7Confident174 Ų17479.3 Ų79.381%0.81340%0.396SS*.Hα-helixtrans-56.3-36175.3-69.5178.6-12.700114.5E1 K7E1-Q3 VanDerWaalsContact C-N 3.27Å; E1-Q3 PolarHBondContact O-N 2.79Å; E1-Q3 VanDerWaalsContact O-N 3.14Å; Q3-K7 WeakPolarHBondContact O-CB 3.42Å; Q3-K7 PolarHBondContact O-N 3.47Å
4I84.3Confident82.1Confident96 Ų9674.6 Ų74.649%0.49237%0.372SS..Hα-helixtrans-70.5-42.9176.7-62171.6000109.6E1 K2 K7 I8E1-I4 WeakPolarHBondContact O-CA 3.49Å; E1-I4 WeakPolarHBondContact O-CB 3.35Å; E1-I4 PolarHBondContact O-N 3.31Å; K2-I4 VanDerWaalsContact C-N 3.28Å; K2-I4 PolarHBondContact O-N 3.47Å; I4-K7 WeakPolarHBondContact O-CB 3.37Å; I4-K7 PolarHBondContact O-N 2.97Å; I4-I8 HydrophobicContact CG2-CD1 4.08Å; I4-I8 WeakPolarHBondContact O-CG1 3.36Å; I4-I8 PolarHBondContact O-N 3.15Å
5I85.1Confident80.9Confident2 Ų281 Ų811%0.0140%0.401CS..Hα-helixtrans-60.4-50177.1-64160.5000110.1E1 K2 K7 I8 M9 V29 V82 E105E1-I5 HydrophobicContact CG-CD1 4.11Å; E1-I5 PolarHBondContact O-N 3.35Å; K2-I5 WeakPolarHBondContact O-CB 3.36Å; K2-I5 PolarHBondContact O-N 2.75Å; I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 PolarHBondContact O-N 2.72Å; I5-I8 WeakPolarHBondContact O-CB 3.02Å; I5-I8 PolarHBondContact O-N 3.44Å; I5-I8 VanDerWaalsContact O-N 3.12Å; I5-M9 HydrophobicContact CG2-CG 4.48Å; I5-M9 HydrophobicContact CG2-SD 3.92Å; I5-M9 WeakPolarHBondContact O-CG 3.5Å; I5-M9 PolarHBondContact O-N 3.16Å; I5-V29 HydrophobicContact CG1-CG2 4.37Å; I5-V29 HydrophobicContact CG2-CG1 4.46Å; I5-V82 HydrophobicContact CD1-CG1 4.32Å; I5-V82 HydrophobicContact CD1-CG2 4Å; I5-V82 HydrophobicContact CG1-CG2 4.29Å; I5-V82 HydrophobicContact CG2-CG2 3.93Å; I5-E105 HydrophobicContact CG2-CB 4.32Å; I5-E105 HydrophobicContact CG2-CG 4.3Å
6H85.9Confident79.7Confident39 Ų3978.1 Ų78.118%0.18140%0.398CS..Hα-helixtrans-61-38.5175.6-76.5-85.7000112.2K2 I8 M9 N10 E105 E106K2-H6 WeakPolarHBondContact CE-NE2 3.46Å; K2-H6 PolarHBondContact O-CD2 3.04Å; K2-H6 VanDerWaalsContact O-CD2 3.23Å; K2-H6 PolarHBondContact O-N 3.23Å; H6-I8 VanDerWaalsContact C-N 3.34Å; H6-I8 PolarHBondContact O-N 3.4Å; H6-M9 PolarHBondContact O-N 3Å; H6-N10 WeakPolarHBondContact O-CB 3.47Å; H6-N10 PolarHBondContact O-N 3.39Å; H6-N10 PolarHBondContact O-OD1 3.28Å; H6-E105 IonicContact NE2-OE2 2.74Å; H6-E106 PolarHBondContact CE1-O 3.29Å; H6-E106 PolarHBondContact ND1-O 3.47Å
7K86.3Confident78.7Confident149 Ų14976.7 Ų76.765%0.64841%0.407SS*.Hα-helixtrans-61.7-42.3174.9-172.4177.2-178178.60111.6Q3 I4 I5 T11Q3-K7 WeakPolarHBondContact O-CB 3.42Å; Q3-K7 PolarHBondContact O-N 3.47Å; I4-K7 WeakPolarHBondContact O-CB 3.37Å; I4-K7 PolarHBondContact O-N 2.97Å; I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 PolarHBondContact O-N 2.72Å; K7-T11 HydrophobicContact CG-CG2 4.44Å; K7-T11 WeakPolarHBondContact O-CB 3.39Å; K7-T11 VanDerWaalsContact O-CG2 3.3Å; K7-T11 WeakPolarHBondContact O-CG2 3.45Å; K7-T11 PolarHBondContact O-N 3.42Å; K7-T11 PolarHBondContact O-OG1 3.39Å
8I85.6Confident78.5Confident25 Ų2574.9 Ų74.913%0.12840%0.402CS..Hα-helixtrans-62.4-48.2175.1-67.3167.1000109.7I4 I5 H6 N10 T11 T12 Y22 L24 V31I4-I8 HydrophobicContact CG2-CD1 4.08Å; I4-I8 WeakPolarHBondContact O-CG1 3.36Å; I4-I8 PolarHBondContact O-N 3.15Å; I5-I8 WeakPolarHBondContact O-CB 3.02Å; I5-I8 PolarHBondContact O-N 3.44Å; I5-I8 VanDerWaalsContact O-N 3.12Å; H6-I8 VanDerWaalsContact C-N 3.34Å; H6-I8 PolarHBondContact O-N 3.4Å; I8-N10 PolarHBondContact O-N 2.99Å; I8-T11 PolarHBondContact O-N 2.89Å; I8-T11 PolarHBondContact O-OG1 3.12Å; I8-T12 WeakPolarHBondContact O-CB 3.45Å; I8-T12 PolarHBondContact O-N 3.47Å; I8-T12 PolarHBondContact O-OG1 3.31Å; I8-Y22 HydrophobicContact CG2-CD1 4.45Å; I8-Y22 HydrophobicContact CG2-CD2 3.43Å; I8-Y22 VanDerWaalsContact CG2-CD2 3.43Å; I8-Y22 HydrophobicContact CG2-CE2 3.59Å; I8-Y22 HydrophobicContact CG2-CG 3.88Å; I8-L24 HydrophobicContact CD1-CD1 3.98Å; I8-L24 HydrophobicContact CD1-CD2 4.4Å; I8-V31 HydrophobicContact CG2-CG2 4.2Å
9M85.8Confident78.8Confident4 Ų473.8 Ų73.82%0.0240%0.401CS..Hα-helixtrans-58.7-47.2179.6-69.8172.863.200112I5 H6 T11 T12 V31 V78 G80 E105I5-M9 HydrophobicContact CG2-CG 4.48Å; I5-M9 HydrophobicContact CG2-SD 3.92Å; I5-M9 WeakPolarHBondContact O-CG 3.5Å; I5-M9 PolarHBondContact O-N 3.16Å; H6-M9 PolarHBondContact O-N 3Å; M9-T11 PolarHBondContact O-N 3.33Å; M9-T12 PolarHBondContact O-N 3.3Å; M9-V31 HydrophobicContact CG-CG1 4.31Å; M9-V31 HydrophobicContact CG-CG2 4.02Å; M9-V78 HydrophobicContact CB-CG1 4.26Å; M9-V78 HydrophobicContact CE-CG1 4.09Å; M9-V78 WeakPolarHBondContact CE-O 3.44Å; M9-G80 VanDerWaalsContact CE-N 3.32Å; M9-E105 WeakPolarHBondContact CE-O 3.44Å; M9-E105 HydrophobicContact SD-CB 4.09Å
10N83.8Confident79.2Confident106 Ų10675.1 Ų75.157%0.56740%0.402SS*.Hα-helixtrans-74-23.7-176.5-66.33.1000113.5H6 I8 S107H6-N10 WeakPolarHBondContact O-CB 3.47Å; H6-N10 PolarHBondContact O-N 3.39Å; H6-N10 PolarHBondContact O-OD1 3.28Å; I8-N10 PolarHBondContact O-N 2.99Å; N10-S107 PolarHBondContact OD1-OG 3.46Å
11T82.6Confident79.6Confident100 Ų10074.5 Ų74.561%0.61340%0.401SS*.Hα-helixtrans-94.6-8.4178.354.40000113.5K7 I8 M9 D13K7-T11 HydrophobicContact CG-CG2 4.44Å; K7-T11 WeakPolarHBondContact O-CB 3.39Å; K7-T11 VanDerWaalsContact O-CG2 3.3Å; K7-T11 WeakPolarHBondContact O-CG2 3.45Å; K7-T11 PolarHBondContact O-N 3.42Å; K7-T11 PolarHBondContact O-OG1 3.39Å; I8-T11 PolarHBondContact O-N 2.89Å; I8-T11 PolarHBondContact O-OG1 3.12Å; M9-T11 PolarHBondContact O-N 3.33Å; T11-D13 PolarHBondContact O-N 2.82Å
12T80.3Confident80Confident16 Ų1672.6 Ų72.610%0.09839%0.391CS..  trans-81.6102.4-179.5-63.80000109.6I8 M9 L14 K20 Y22 V31I8-T12 WeakPolarHBondContact O-CB 3.45Å; I8-T12 PolarHBondContact O-N 3.47Å; I8-T12 PolarHBondContact O-OG1 3.31Å; M9-T12 PolarHBondContact O-N 3.3Å; T12-L14 HydrophobicContact CG2-CD1 3.75Å; T12-L14 HydrophobicContact CG2-CD2 4.01Å; T12-L14 HydrophobicContact CG2-CG 3.56Å; T12-L14 PolarHBondContact O-N 2.89Å; T12-K20 HydrophobicContact CG2-CB 4.21Å; T12-K20 HydrophobicContact CG2-CD 4.09Å; T12-Y22 HydrophobicContact CG2-CE2 3.97Å; T12-Y22 WeakPolarHBondContact CG2-OH 3.29Å; T12-Y22 WeakPolarHBondContact OG1-CE2 3.46Å; T12-Y22 VanDerWaalsContact OG1-CZ 3.25Å; T12-Y22 PolarHBondContact OG1-OH 3.48Å; T12-V31 HydrophobicContact CG2-CB 4.33Å; T12-V31 HydrophobicContact CG2-CG1 4.37Å
13D74.4Confident80.2Confident148 Ų14874.8 Ų74.879%0.79141%0.406SS*.  trans-74.4119.5170.6-161.411.4000109.9T11T11-D13 PolarHBondContact O-N 2.82Å
14L74.5Confident80.2Confident13 Ų1369.8 Ų69.87%0.06838%0.384CS..  trans-132.1133.6-178.1-72.1171.3000109.1T12 S18 K20 V31 K33T12-L14 HydrophobicContact CG2-CD1 3.75Å; T12-L14 HydrophobicContact CG2-CD2 4.01Å; T12-L14 HydrophobicContact CG2-CG 3.56Å; T12-L14 PolarHBondContact O-N 2.89Å; L14-S18 WeakPolarHBondContact CD2-OG 3.38Å; L14-K20 HydrophobicContact CD2-CB 3.74Å; L14-V31 HydrophobicContact CD1-CB 4.31Å; L14-V31 HydrophobicContact CD1-CG1 3.97Å; L14-K33 HydrophobicContact CB-CB 3.94Å; L14-K33 HydrophobicContact CB-CD 4.07Å; L14-K33 HydrophobicContact CD1-CB 4.1Å; L14-K33 WeakPolarHBondContact O-CD 3.03Å; L14-K33 PolarHBondContact O-NZ 3.32Å; L14-K33 VanDerWaalsContact O-NZ 3.15Å
15E64.8Low79.9Confident171 Ų17173.1 Ų73.180%0.79940%0.395SS*.  trans-68.3142.4160.5-66.7-176.9176.900108.7G17 S18E15-G17 PolarHBondContact O-N 3.42Å; E15-S18 PolarHBondContact N-OG 2.98Å; E15-S18 VanDerWaalsContact O-CB 3.29Å; E15-S18 WeakPolarHBondContact O-CB 3.41Å; E15-S18 PolarHBondContact O-N 3.24Å; E15-S18 PolarHBondContact O-OG 2.89Å
16G61.6Low79.6Confident35 Ų3578.8 Ų78.836%0.36142%0.417SS..THydrogen-bonded Turntrans-65.2133.5-170.900000113.8S18 N35G16-S18 VanDerWaalsContact C-N 3.34Å; G16-N35 VanDerWaalsContact CA-CG 3.42Å; G16-N35 WeakPolarHBondContact CA-ND2 3.48Å; G16-N35 WeakPolarHBondContact CA-OD1 3.16Å
17G61.7Low79.5Confident54 Ų5477.7 Ų77.756%0.55741%0.413SS*.THydrogen-bonded Turntrans87.4-2.7-171.400000114.6E15 K33E15-G17 PolarHBondContact O-N 3.42Å; G17-K33 PolarHBondContact N-O 3.06Å
18S76.1Confident79.5Confident45 Ų4570.6 Ų70.632%0.31538%0.382SS..  trans-89.9160172.472.30000112.2L14 E15 G16 K33L14-S18 WeakPolarHBondContact CD2-OG 3.38Å; E15-S18 PolarHBondContact N-OG 2.98Å; E15-S18 VanDerWaalsContact O-CB 3.29Å; E15-S18 WeakPolarHBondContact O-CB 3.41Å; E15-S18 PolarHBondContact O-N 3.24Å; E15-S18 PolarHBondContact O-OG 2.89Å; G16-S18 VanDerWaalsContact C-N 3.34Å; S18-K33 PolarHBondContact O-N 3.35Å
19S83.5Confident79.7Confident54 Ų5469.4 Ų69.438%0.37838%0.376SS..EExtended strand (participates in β ladder)trans-132.6149.3174.669.70000110.6K30 V31 F32S19-K30 VanDerWaalsContact OG-CE 3.22Å; S19-K30 WeakPolarHBondContact OG-CE 3.38Å; S19-V31 CarbonylContact C-O 3.51Å; S19-V31 WeakPolarHBondContact CA-O 3.45Å; S19-V31 WeakPolarHBondContact CB-O 3.37Å; S19-F32 VanDerWaalsContact CB-CE1 3.42Å
20K87.3Confident79.9Confident98 Ų9870.2 Ų70.243%0.42638%0.379SS..EExtended strand (participates in β ladder)trans-136.6133.3177.6-175.6170.8179.3-170.40111T12 L14 Y22 K30 V31T12-K20 HydrophobicContact CG2-CB 4.21Å; T12-K20 HydrophobicContact CG2-CD 4.09Å; L14-K20 HydrophobicContact CD2-CB 3.74Å; K20-Y22 HydrophobicContact CB-CE2 4.38Å; K20-Y22 HydrophobicContact CD-CE1 4.5Å; K20-Y22 HydrophobicContact CD-CE2 4.2Å; K20-Y22 WeakPolarHBondContact CD-OH 3.31Å; K20-Y22 WeakPolarHBondContact CE-OH 3.49Å; K20-Y22 HydrophobicContact CG-CE2 3.96Å; K20-Y22 PolarHBondContact NZ-OH 2.99Å; K20-K30 WeakPolarHBondContact O-CA 2.98Å; K20-V31 PolarHBondContact N-O 3.19Å; K20-V31 PolarHBondContact O-N 3.4Å
21T87Confident80.1Confident63 Ų6365.2 Ų65.239%0.38735%0.352SS..EExtended strand (participates in β ladder)trans-102.6134.7-178.3-51.80000110.8V29 K30 P51T21-V29 CarbonylContact C-O 3.5Å; T21-V29 WeakPolarHBondContact CA-O 3.15Å; T21-K30 WeakPolarHBondContact OG1-CD 3.42Å; T21-K30 WeakPolarHBondContact OG1-CG 3.42Å; T21-P51 HydrophobicContact CG2-CB 3.93Å
22Y86.2Confident80.3Confident59 Ų5961.4 Ų61.423%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-120.4114174.5-62.2-87.6000109I8 T12 K20 S28 V29 V31I8-Y22 HydrophobicContact CG2-CD1 4.45Å; I8-Y22 HydrophobicContact CG2-CD2 3.43Å; I8-Y22 VanDerWaalsContact CG2-CD2 3.43Å; I8-Y22 HydrophobicContact CG2-CE2 3.59Å; I8-Y22 HydrophobicContact CG2-CG 3.88Å; T12-Y22 HydrophobicContact CG2-CE2 3.97Å; T12-Y22 WeakPolarHBondContact CG2-OH 3.29Å; T12-Y22 WeakPolarHBondContact OG1-CE2 3.46Å; T12-Y22 VanDerWaalsContact OG1-CZ 3.25Å; T12-Y22 PolarHBondContact OG1-OH 3.48Å; K20-Y22 HydrophobicContact CB-CE2 4.38Å; K20-Y22 HydrophobicContact CD-CE1 4.5Å; K20-Y22 HydrophobicContact CD-CE2 4.2Å; K20-Y22 WeakPolarHBondContact CD-OH 3.31Å; K20-Y22 WeakPolarHBondContact CE-OH 3.49Å; K20-Y22 HydrophobicContact CG-CE2 3.96Å; K20-Y22 PolarHBondContact NZ-OH 2.99Å; Y22-S28 WeakPolarHBondContact O-CA 3.28Å; Y22-S28 PolarHBondContact O-OG 3.3Å; Y22-V29 PolarHBondContact N-O 3.32Å; Y22-V29 PolarHBondContact O-N 3.36Å; Y22-V31 HydrophobicContact CD2-CG2 4.32Å; Y22-V31 HydrophobicContact CE2-CG2 4.2Å
23N84.6Confident80.6Confident119 Ų11964.2 Ų64.264%0.63634%0.338SS*.EExtended strand (participates in β ladder)trans-92.2115.5175.5-65.1-40.8000109.4S28N23-S28 WeakPolarHBondContact OD1-CB 3.33Å; N23-S28 PolarHBondContact OD1-OG 2.97Å
24L83.1Confident81Confident69 Ų6957.5 Ų57.536%0.36130%0.302SS..  trans-100.9174.9171.7-6693.9000110I8 Y26 L27 V29I8-L24 HydrophobicContact CD1-CD1 3.98Å; I8-L24 HydrophobicContact CD1-CD2 4.4Å; L24-Y26 VanDerWaalsContact C-N 3.29Å; L24-Y26 PolarHBondContact O-N 3.05Å; L24-L27 CarbonylContact C-O 3.5Å; L24-L27 WeakPolarHBondContact CA-O 3.49Å; L24-L27 HydrophobicContact CB-CD1 4.21Å; L24-L27 HydrophobicContact CB-CG 4.4Å; L24-L27 WeakPolarHBondContact CB-O 3.35Å; L24-L27 HydrophobicContact CD1-CD1 3.68Å; L24-L27 HydrophobicContact CG-CD1 4.37Å; L24-L27 PolarHBondContact N-O 2.91Å; L24-V29 HydrophobicContact CD1-CG2 4.14Å
25K78.9Confident81.4Confident167 Ų16759.7 Ų59.773%0.72631%0.314SS*.SBendtrans-59.7-34.9-176.3-171.5176.9177.5-163.10113.8
26Y77Confident81.9Confident120 Ų12055.5 Ų55.547%0.47130%0.297SS..SBendtrans-123.2-8.5-172.4-57.7-71.9000114L24 M85L24-Y26 VanDerWaalsContact C-N 3.29Å; L24-Y26 PolarHBondContact O-N 3.05Å; Y26-M85 WeakPolarHBondContact O-CB 3.49Å; Y26-M85 PolarHBondContact O-N 2.7Å
27L84.4Confident82.4Confident16 Ų1658.4 Ų58.48%0.08431%0.308CS..EExtended strand (participates in β ladder)trans-152.6157.8-177.56185.8000110.3E1 L24 V29 V82 S83 Y84E1-L27 HydrophobicContact CG-CD2 3.79Å; E1-L27 WeakPolarHBondContact OE1-CD2 3.39Å; L24-L27 CarbonylContact C-O 3.5Å; L24-L27 WeakPolarHBondContact CA-O 3.49Å; L24-L27 HydrophobicContact CB-CD1 4.21Å; L24-L27 HydrophobicContact CB-CG 4.4Å; L24-L27 WeakPolarHBondContact CB-O 3.35Å; L24-L27 HydrophobicContact CD1-CD1 3.68Å; L24-L27 HydrophobicContact CG-CD1 4.37Å; L24-L27 PolarHBondContact N-O 2.91Å; L27-V29 HydrophobicContact CD1-CG2 3.4Å; L27-V29 VanDerWaalsContact CD1-CG2 3.4Å; L27-V82 HydrophobicContact CB-CG1 4.15Å; L27-V82 HydrophobicContact CD1-CG1 4.03Å; L27-V82 HydrophobicContact CD2-CG1 4.46Å; L27-V82 HydrophobicContact CG-CG1 4.45Å; L27-S83 CarbonylContact C-O 3.54Å; L27-S83 VanDerWaalsContact CA-O 3.27Å; L27-S83 WeakPolarHBondContact CA-O 3.34Å; L27-Y84 HydrophobicContact CB-CD1 4.06Å; L27-Y84 HydrophobicContact CB-CE1 4.37Å; L27-Y84 HydrophobicContact CD2-CD1 4.44Å; L27-Y84 HydrophobicContact CD2-CE1 4.01Å
28S87.1Confident83Confident0 Ų058 Ų580%030%0.295CS..EExtended strand (participates in β ladder)trans-120.9135.7170.2-173.70000109.9Y22 N23 P51 V82 S83Y22-S28 WeakPolarHBondContact O-CA 3.28Å; Y22-S28 PolarHBondContact O-OG 3.3Å; N23-S28 WeakPolarHBondContact OD1-CB 3.33Å; N23-S28 PolarHBondContact OD1-OG 2.97Å; S28-P51 VanDerWaalsContact O-CG 3.27Å; S28-P51 WeakPolarHBondContact O-CG 3.5Å; S28-P51 WeakPolarHBondContact OG-CB 3.31Å; S28-V82 CarbonylContact O-C 3.58Å; S28-V82 WeakPolarHBondContact O-CA 3.49Å; S28-S83 PolarHBondContact N-O 3.06Å; S28-S83 PolarHBondContact O-N 3.24Å
29V88.8Confident83Confident0 Ų055.9 Ų55.90%028%0.28CS..EExtended strand (participates in β ladder)trans-116.5125.1-179-175.70000108.7I5 T21 Y22 L24 L27 V31 L81 V82I5-V29 HydrophobicContact CG1-CG2 4.37Å; I5-V29 HydrophobicContact CG2-CG1 4.46Å; T21-V29 CarbonylContact C-O 3.5Å; T21-V29 WeakPolarHBondContact CA-O 3.15Å; Y22-V29 PolarHBondContact N-O 3.32Å; Y22-V29 PolarHBondContact O-N 3.36Å; L24-V29 HydrophobicContact CD1-CG2 4.14Å; L27-V29 HydrophobicContact CD1-CG2 3.4Å; L27-V29 VanDerWaalsContact CD1-CG2 3.4Å; V29-V31 HydrophobicContact CG1-CG2 3.98Å; V29-L81 CarbonylContact C-O 3.57Å; V29-L81 WeakPolarHBondContact CA-O 3.23Å; V29-V82 HydrophobicContact CB-CG2 4.43Å; V29-V82 HydrophobicContact CG1-CG2 4.1Å; V29-V82 HydrophobicContact CG2-CG1 4.23Å; V29-V82 HydrophobicContact CG2-CG2 3.98Å
30K89.4Confident82.4Confident22 Ų2259.2 Ų59.210%0.09629%0.293CS..EExtended strand (participates in β ladder)trans-112.6117.9169-167.1169.8171.7-169.90109.2S19 K20 T21 F32 E49 P51 L81S19-K30 VanDerWaalsContact OG-CE 3.22Å; S19-K30 WeakPolarHBondContact OG-CE 3.38Å; K20-K30 WeakPolarHBondContact O-CA 2.98Å; T21-K30 WeakPolarHBondContact OG1-CD 3.42Å; T21-K30 WeakPolarHBondContact OG1-CG 3.42Å; K30-F32 HydrophobicContact CB-CE2 3.98Å; K30-F32 HydrophobicContact CB-CZ 4.46Å; K30-F32 HydrophobicContact CD-CE1 4.41Å; K30-F32 HydrophobicContact CD-CE2 3.95Å; K30-F32 HydrophobicContact CD-CZ 3.56Å; K30-F32 VanDerWaalsContact CE-CZ 3.43Å; K30-F32 HydrophobicContact CG-CD2 4.43Å; K30-F32 HydrophobicContact CG-CE2 3.65Å; K30-F32 HydrophobicContact CG-CZ 3.72Å; K30-E49 VanDerWaalsContact CD-O 3.32Å; K30-E49 WeakPolarHBondContact CD-O 3.03Å; K30-E49 PolarHBondContact NZ-O 3.27Å; K30-E49 IonicContact NZ-OE2 2.61Å; K30-E49 PolarHBondContact NZ-OE2 3.15Å; K30-P51 HydrophobicContact CB-CB 4.12Å; K30-P51 HydrophobicContact CB-CG 3.96Å; K30-L81 PolarHBondContact N-O 3.3Å; K30-L81 PolarHBondContact O-N 2.93Å
31V88.8Confident81.6Confident0 Ų060.4 Ų60.40%031%0.308CS..EExtended strand (participates in β ladder)trans-96.9132-178-174.30000108.8I8 M9 T12 L14 S19 K20 Y22 V29 V78 I79I8-V31 HydrophobicContact CG2-CG2 4.2Å; M9-V31 HydrophobicContact CG-CG1 4.31Å; M9-V31 HydrophobicContact CG-CG2 4.02Å; T12-V31 HydrophobicContact CG2-CB 4.33Å; T12-V31 HydrophobicContact CG2-CG1 4.37Å; L14-V31 HydrophobicContact CD1-CB 4.31Å; L14-V31 HydrophobicContact CD1-CG1 3.97Å; S19-V31 CarbonylContact C-O 3.51Å; S19-V31 WeakPolarHBondContact CA-O 3.45Å; S19-V31 WeakPolarHBondContact CB-O 3.37Å; K20-V31 PolarHBondContact N-O 3.19Å; K20-V31 PolarHBondContact O-N 3.4Å; Y22-V31 HydrophobicContact CD2-CG2 4.32Å; Y22-V31 HydrophobicContact CE2-CG2 4.2Å; V29-V31 HydrophobicContact CG1-CG2 3.98Å; V31-V78 HydrophobicContact CG1-CG1 3.48Å; V31-V78 VanDerWaalsContact CG1-CG1 3.48Å; V31-I79 CarbonylContact C-O 3.56Å; V31-I79 WeakPolarHBondContact CA-O 3.3Å
32F87.3Confident80.8Confident21 Ų2158.7 Ų58.79%0.09230%0.299CS..EExtended strand (participates in β ladder)trans-120.5133177.7-64-92.2000109.6S19 K30 L48 E49 V78 I79 L81S19-F32 VanDerWaalsContact CB-CE1 3.42Å; K30-F32 HydrophobicContact CB-CE2 3.98Å; K30-F32 HydrophobicContact CB-CZ 4.46Å; K30-F32 HydrophobicContact CD-CE1 4.41Å; K30-F32 HydrophobicContact CD-CE2 3.95Å; K30-F32 HydrophobicContact CD-CZ 3.56Å; K30-F32 VanDerWaalsContact CE-CZ 3.43Å; K30-F32 HydrophobicContact CG-CD2 4.43Å; K30-F32 HydrophobicContact CG-CE2 3.65Å; K30-F32 HydrophobicContact CG-CZ 3.72Å; F32-L48 HydrophobicContact CB-CD2 4.4Å; F32-L48 HydrophobicContact CD1-CD2 3.7Å; F32-L48 HydrophobicContact CD2-CD1 4.34Å; F32-L48 HydrophobicContact CD2-CD2 4.41Å; F32-L48 HydrophobicContact CE1-CB 4.48Å; F32-L48 HydrophobicContact CE1-CD2 3.97Å; F32-L48 HydrophobicContact CE2-CB 4.25Å; F32-L48 HydrophobicContact CG-CD1 4.48Å; F32-L48 HydrophobicContact CG-CD2 3.93Å; F32-L48 HydrophobicContact CZ-CB 4.16Å; F32-L48 HydrophobicContact CZ-CD2 4.43Å; F32-E49 WeakPolarHBondContact CZ-O 3.38Å; F32-V78 CarbonylContact O-C 3.54Å; F32-V78 VanDerWaalsContact O-CA 3.31Å; F32-V78 WeakPolarHBondContact O-CA 3.49Å; F32-I79 PolarHBondContact N-O 3.14Å; F32-I79 PolarHBondContact O-N 2.95Å; F32-L81 HydrophobicContact CD2-CG 4.39Å; F32-L81 HydrophobicContact CE2-CB 4.38Å; F32-L81 HydrophobicContact CE2-CD1 3.82Å; F32-L81 HydrophobicContact CE2-CG 4Å; F32-L81 HydrophobicContact CZ-CD1 4.48Å
33K86Confident79.9Confident75 Ų7564.8 Ų64.833%0.32633%0.33SS..EExtended strand (participates in β ladder)trans-109117.6170.9-172.7176.8-177.1175.20109.7L14 G17 S18 V78L14-K33 HydrophobicContact CB-CB 3.94Å; L14-K33 HydrophobicContact CB-CD 4.07Å; L14-K33 HydrophobicContact CD1-CB 4.1Å; L14-K33 WeakPolarHBondContact O-CD 3.03Å; L14-K33 PolarHBondContact O-NZ 3.32Å; L14-K33 VanDerWaalsContact O-NZ 3.15Å; G17-K33 PolarHBondContact N-O 3.06Å; S18-K33 PolarHBondContact O-N 3.35Å; K33-V78 HydrophobicContact CG-CG2 4.36Å
34I83.8Confident79.6Confident7 Ų764.5 Ų64.54%0.03633%0.328CS..  trans-100.6120.9-170.3-56.7-179.2000110.1L39 I46 L69 R77 I79I34-L39 HydrophobicContact CG2-CD1 4.19Å; I34-L39 HydrophobicContact CG2-CD2 4Å; I34-L39 HydrophobicContact CG2-CG 3.8Å; I34-I46 HydrophobicContact CD1-CD1 4.49Å; I34-I46 HydrophobicContact CG2-CD1 4.06Å; I34-L69 HydrophobicContact CD1-CD1 3.52Å; I34-L69 HydrophobicContact CD1-CD2 4.5Å; I34-R77 HydrophobicContact CB-CB 4.42Å; I34-R77 PolarHBondContact N-O 3.42Å; I34-R77 PolarHBondContact O-NE 3.45Å; I34-I79 HydrophobicContact CD1-CD1 3.42Å; I34-I79 VanDerWaalsContact CD1-CD1 3.42Å; I34-I79 HydrophobicContact CD1-CG1 4.02Å
35N81.4Confident79.7Confident58 Ų5863 Ų6331%0.3132%0.32SS..  trans-99.2160.5177.2-83.323.1000112.2G16 T37 V38 L39G16-N35 VanDerWaalsContact CA-CG 3.42Å; G16-N35 WeakPolarHBondContact CA-ND2 3.48Å; G16-N35 WeakPolarHBondContact CA-OD1 3.16Å; N35-T37 PolarHBondContact O-N 3.42Å; N35-V38 PolarHBondContact O-N 2.98Å; N35-L39 PolarHBondContact O-N 3.38Å; N35-L39 VanDerWaalsContact O-N 3.17Å
36D75.9Confident80Confident83 Ų8355.3 Ų55.344%0.44429%0.287SS..Hα-helixtrans-58.9-29.6175.8-64.7-58.2000113.3V38 L39 N40 R77D36-V38 VanDerWaalsContact C-N 3.33Å; D36-V38 PolarHBondContact O-N 3.41Å; D36-L39 PolarHBondContact O-N 3.13Å; D36-N40 WeakPolarHBondContact O-CB 3.45Å; D36-N40 PolarHBondContact O-N 3.45Å; D36-N40 PolarHBondContact O-ND2 3.14Å; D36-R77 IonicContact OD1-CZ 3.48Å; D36-R77 VanDerWaalsContact OD1-CZ 3.29Å; D36-R77 IonicContact OD1-NH1 3.23Å; D36-R77 PolarHBondContact OD1-NH1 3.16Å; D36-R77 IonicContact OD1-NH2 3.65Å; D36-R77 PolarHBondContact OD1-NH2 2.97Å; D36-R77 IonicContact OD2-CZ 3.7Å; D36-R77 IonicContact OD2-NH1 3.63Å; D36-R77 IonicContact OD2-NH2 3.16Å; D36-R77 PolarHBondContact OD2-NH2 3.3Å
37T71.4Confident80.5Confident97 Ų9752.4 Ų52.460%0.59528%0.283SS*.Hα-helixtrans-63.3-38.6174.851.20000112.3N35 V41N35-T37 PolarHBondContact O-N 3.42Å; T37-V41 VanDerWaalsContact O-CG2 3.26Å; T37-V41 WeakPolarHBondContact O-CG2 3.29Å; T37-V41 PolarHBondContact O-N 3.08Å
38V74.8Confident80.6Confident45 Ų4552.1 Ų52.127%0.27328%0.281SS..Hα-helixtrans-72.5-41.3177.2-178.60000110.2N35 D36 N40 V41 S42 I46N35-V38 PolarHBondContact O-N 2.98Å; D36-V38 VanDerWaalsContact C-N 3.33Å; D36-V38 PolarHBondContact O-N 3.41Å; V38-N40 VanDerWaalsContact C-N 3.27Å; V38-N40 PolarHBondContact O-N 2.72Å; V38-V41 PolarHBondContact O-N 3.23Å; V38-S42 PolarHBondContact O-N 2.64Å; V38-S42 PolarHBondContact O-OG 2.89Å; V38-I46 HydrophobicContact CG1-CD1 4.39Å
39L77.2Confident80.5Confident1 Ų156.6 Ų56.61%0.00530%0.302CS..Hα-helixtrans-66.5-24.9178.2-69.5166.3000113.9I34 N35 D36 I46 V66 L69 K70I34-L39 HydrophobicContact CG2-CD1 4.19Å; I34-L39 HydrophobicContact CG2-CD2 4Å; I34-L39 HydrophobicContact CG2-CG 3.8Å; N35-L39 PolarHBondContact O-N 3.38Å; N35-L39 VanDerWaalsContact O-N 3.17Å; D36-L39 PolarHBondContact O-N 3.13Å; L39-I46 HydrophobicContact CD2-CD1 3.48Å; L39-I46 VanDerWaalsContact CD2-CD1 3.48Å; L39-I46 HydrophobicContact CG-CD1 4.33Å; L39-V66 HydrophobicContact CB-CG1 4.4Å; L39-V66 HydrophobicContact CD2-CB 4.45Å; L39-V66 HydrophobicContact CD2-CG1 3.85Å; L39-L69 HydrophobicContact CD2-CB 3.78Å; L39-L69 HydrophobicContact CD2-CD1 4.3Å; L39-K70 HydrophobicContact CD1-CG 4.37Å
40N70.2Confident80.2Confident124 Ų12456.9 Ų56.966%0.66330%0.304SS*.Hα-helixtrans-89.2-18.3179.6-71.9-16.6000113.3D36 V38D36-N40 WeakPolarHBondContact O-CB 3.45Å; D36-N40 PolarHBondContact O-N 3.45Å; D36-N40 PolarHBondContact O-ND2 3.14Å; V38-N40 VanDerWaalsContact C-N 3.27Å; V38-N40 PolarHBondContact O-N 2.72Å
41V71.2Confident79.7Confident122 Ų12256.1 Ų56.174%0.73930%0.301SS*.Hα-helixtrans-89.4-31.2177.7172.70000111.5T37 V38T37-V41 VanDerWaalsContact O-CG2 3.26Å; T37-V41 WeakPolarHBondContact O-CG2 3.29Å; T37-V41 PolarHBondContact O-N 3.08Å; V38-V41 PolarHBondContact O-N 3.23Å
42S69.7Low78.8Confident28 Ų2861.6 Ų61.620%0.19633%0.327CS..  trans-83.6123.2176.6-60.10000111.1V38V38-S42 PolarHBondContact O-N 2.64Å; V38-S42 PolarHBondContact O-OG 2.89Å
43E66.3Low77.6Confident186 Ų18661.7 Ų61.787%0.86933%0.33SS*.SBendtrans-65.8-47.6-176.2-68.5-178.5164.800112.3
44D79.4Confident75.9Confident113 Ų11366.6 Ų66.660%0.60435%0.354SS*.SBendtrans-136-35.1-176.3-76.3-38.5000115.3V66D44-V66 PolarHBondContact O-N 3.3Å
45M84.9Confident74.3Confident37 Ų3775.3 Ų75.318%0.18239%0.394CS..EExtended strand (participates in β ladder)trans-137.1142.3-172.8-63.1-75.6-97.400111.2W63 I64 P65 P117 P118 K120M45-W63 HydrophobicContact CB-CB 4.27Å; M45-W63 HydrophobicContact CB-CE3 3.77Å; M45-W63 HydrophobicContact CE-CB 3.81Å; M45-W63 WeakPolarHBondContact CE-O 3.44Å; M45-I64 WeakPolarHBondContact CA-O 3.23Å; M45-P65 HydrophobicContact CE-CG 4.29Å; M45-P65 WeakPolarHBondContact SD-CA 3.49Å; M45-P65 HydrophobicContact SD-CB 3.89Å; M45-P65 HydrophobicContact SD-CG 3.71Å; M45-P65 VanDerWaalsContact SD-N 3.44Å; M45-P117 HydrophobicContact SD-CG 3.94Å; M45-P118 WeakPolarHBondContact CE-O 3.34Å; M45-K120 HydrophobicContact CE-CB 4.14Å
46I86.1Confident72.9Confident7 Ų777.2 Ų77.24%0.03640%0.403CS..EExtended strand (participates in β ladder)trans-100.7121.8174.6-66.8164.1000109.6I34 V38 L39 L48 W63 I64 V66 L69I34-I46 HydrophobicContact CD1-CD1 4.49Å; I34-I46 HydrophobicContact CG2-CD1 4.06Å; V38-I46 HydrophobicContact CG1-CD1 4.39Å; L39-I46 HydrophobicContact CD2-CD1 3.48Å; L39-I46 VanDerWaalsContact CD2-CD1 3.48Å; L39-I46 HydrophobicContact CG-CD1 4.33Å; I46-L48 HydrophobicContact CG2-CD2 3.79Å; I46-L48 HydrophobicContact CG2-CG 4.23Å; I46-W63 WeakPolarHBondContact O-CA 3.4Å; I46-I64 PolarHBondContact N-O 3.44Å; I46-I64 PolarHBondContact O-N 3.41Å; I46-V66 HydrophobicContact CD1-CG2 4.1Å; I46-V66 HydrophobicContact CG1-CG2 3.85Å; I46-L69 HydrophobicContact CD1-CD1 3.72Å
47P87.3Confident71.2Confident59 Ų5978 Ų7838%0.38342%0.416SS..EExtended strand (participates in β ladder)trans-78.3125.8172.330.1-30.5000110.8L61 W63P47-L61 HydrophobicContact CB-CD2 4.27Å; P47-W63 HydrophobicContact CB-CD2 4Å; P47-W63 HydrophobicContact CB-CE3 3.83Å; P47-W63 HydrophobicContact CB-CH2 3.81Å; P47-W63 HydrophobicContact CB-CZ2 3.94Å; P47-W63 HydrophobicContact CB-CZ3 3.75Å; P47-W63 HydrophobicContact CG-CE3 4.27Å; P47-W63 HydrophobicContact CG-CH2 4.02Å; P47-W63 HydrophobicContact CG-CZ3 3.82Å
48L86.8Confident70.5Confident9 Ų980 Ų805%0.04741%0.412CS..EExtended strand (participates in β ladder)trans-120.6129.2173.8-58.2-179.8000109F32 I46 V62 I64 I79 L81F32-L48 HydrophobicContact CB-CD2 4.4Å; F32-L48 HydrophobicContact CD1-CD2 3.7Å; F32-L48 HydrophobicContact CD2-CD1 4.34Å; F32-L48 HydrophobicContact CD2-CD2 4.41Å; F32-L48 HydrophobicContact CE1-CB 4.48Å; F32-L48 HydrophobicContact CE1-CD2 3.97Å; F32-L48 HydrophobicContact CE2-CB 4.25Å; F32-L48 HydrophobicContact CG-CD1 4.48Å; F32-L48 HydrophobicContact CG-CD2 3.93Å; F32-L48 HydrophobicContact CZ-CB 4.16Å; F32-L48 HydrophobicContact CZ-CD2 4.43Å; I46-L48 HydrophobicContact CG2-CD2 3.79Å; I46-L48 HydrophobicContact CG2-CG 4.23Å; L48-V62 PolarHBondContact N-O 3.46Å; L48-V62 PolarHBondContact O-N 3.48Å; L48-I64 HydrophobicContact CD1-CD1 3.59Å; L48-I64 HydrophobicContact CD1-CG1 4.22Å; L48-I79 HydrophobicContact CD1-CD1 4.15Å; L48-I79 HydrophobicContact CD1-CG2 4.24Å; L48-L81 HydrophobicContact CB-CD1 3.66Å; L48-L81 HydrophobicContact CD1-CD1 4.49Å
49E84.7Confident69.6Low94 Ų9482.3 Ų82.344%0.43942%0.422SS..EExtended strand (participates in β ladder)trans-85.5119.2176.7-66.8178166.600110.3K30 F32 L59 L61K30-E49 VanDerWaalsContact CD-O 3.32Å; K30-E49 WeakPolarHBondContact CD-O 3.03Å; K30-E49 PolarHBondContact NZ-O 3.27Å; K30-E49 IonicContact NZ-OE2 2.61Å; K30-E49 PolarHBondContact NZ-OE2 3.15Å; F32-E49 WeakPolarHBondContact CZ-O 3.38Å; E49-L59 HydrophobicContact CB-CD2 4.43Å; E49-L59 HydrophobicContact CG-CD2 3.84Å; E49-L59 WeakPolarHBondContact OE1-CD2 3.36Å; E49-L61 HydrophobicContact CG-CD2 3.97Å
50A82.6Confident69.3Low7 Ų782.7 Ų82.76%0.05842%0.424CS..PPolyproline II helixtrans-69.7153.4175.600000111.4Q52 L60 V62 L81 L102A50-Q52 PolarHBondContact O-N 3.11Å; A50-L60 HydrophobicContact CB-CB 3.96Å; A50-L60 HydrophobicContact CB-CD2 3.62Å; A50-L60 HydrophobicContact CB-CG 4.08Å; A50-L60 PolarHBondContact N-O 2.99Å; A50-V62 HydrophobicContact CB-CG2 4.44Å; A50-L81 HydrophobicContact CB-CD1 4.17Å; A50-L102 HydrophobicContact CB-CD1 3.98Å
51P79.1Confident69.8Low5 Ų579.6 Ų79.63%0.03241%0.408CS..PPolyproline II helixtrans-65.2136179.321.2-25.5000111.5T21 S28 K30 S83T21-P51 HydrophobicContact CG2-CB 3.93Å; S28-P51 VanDerWaalsContact O-CG 3.27Å; S28-P51 WeakPolarHBondContact O-CG 3.5Å; S28-P51 WeakPolarHBondContact OG-CB 3.31Å; K30-P51 HydrophobicContact CB-CB 4.12Å; K30-P51 HydrophobicContact CB-CG 3.96Å; P51-S83 WeakPolarHBondContact CD-OG 3.39Å; P51-S83 WeakPolarHBondContact CG-OG 3.4Å; P51-S83 WeakPolarHBondContact O-CB 3.34Å; P51-S83 PolarHBondContact O-OG 3.46Å
52Q68.4Low70.5Confident116 Ų11673.8 Ų73.854%0.54237%0.372SS..PPolyproline II helixtrans-78.7142.9-179.8-66.3-166.2100111.9A50A50-Q52 PolarHBondContact O-N 3.11Å
53V62.6Low71.4Confident23 Ų2376.4 Ų76.414%0.13938%0.378CS..  trans-106.3133.1177.7167.90000108.5H55 L56 M85 M100V53-H55 PolarHBondContact O-N 3.02Å; V53-L56 PolarHBondContact O-N 2.93Å; V53-M85 HydrophobicContact CB-CE 4.22Å; V53-M85 HydrophobicContact CB-SD 3.74Å; V53-M85 HydrophobicContact CG1-CE 4.3Å; V53-M85 HydrophobicContact CG1-CG 4.4Å; V53-M85 HydrophobicContact CG1-SD 3.19Å; V53-M85 WeakPolarHBondContact CG1-SD 3.38Å; V53-M85 HydrophobicContact CG2-CE 3.8Å; V53-M85 HydrophobicContact CG2-SD 3.63Å; V53-M100 HydrophobicContact CG2-CE 4.02Å
54Q51Low72.4Confident178 Ų17867.5 Ų67.583%0.83234%0.337SS*.THydrogen-bonded Turntrans-58.1131.9174.5-80.9175.1-19.700109.6
55H48.6Very low72.9Confident189 Ų18962.2 Ų62.288%0.87531%0.308SS*.THydrogen-bonded Turntrans91.2-17.4-174-67.9-80.8000118.8V53V53-H55 PolarHBondContact O-N 3.02Å
56L52.7Low72.9Confident98 Ų9860.6 Ų60.651%0.51330%0.3SS..  trans-109.875.6174-140.583000110.5V53 R58V53-L56 PolarHBondContact O-N 2.93Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.34Å
57S40.3Very low72.8Confident101 Ų10164.4 Ų64.471%0.70632%0.321SS*.  trans-69.777-176.7-54.10000112.6
58R56.7Low72.6Confident137 Ų13762.2 Ų62.252%0.51731%0.308SS..SBendtrans-162.2137.9160.3-92.6135.1-162.7-139.512111.7L56 L60L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.34Å; R58-L60 PolarHBondContact O-N 3.29Å
59L56.9Low72.3Confident94 Ų9461.8 Ų61.849%0.49231%0.305SS..  trans-58.7124.6176.1-91.4123000111.6E49E49-L59 HydrophobicContact CB-CD2 4.43Å; E49-L59 HydrophobicContact CG-CD2 3.84Å; E49-L59 WeakPolarHBondContact OE1-CD2 3.36Å
60L70.2Confident72.1Confident9 Ų962.2 Ų62.25%0.04731%0.306CS..  trans-95.1115.7167.5-174.776.3000108.4A50 R58 M100 L102 I122 F123A50-L60 HydrophobicContact CB-CB 3.96Å; A50-L60 HydrophobicContact CB-CD2 3.62Å; A50-L60 HydrophobicContact CB-CG 4.08Å; A50-L60 PolarHBondContact N-O 2.99Å; R58-L60 PolarHBondContact O-N 3.29Å; L60-M100 HydrophobicContact CD2-CE 4.41Å; L60-M100 HydrophobicContact CD2-CG 4.42Å; L60-M100 HydrophobicContact CD2-SD 4Å; L60-L102 HydrophobicContact CD2-CB 4.14Å; L60-L102 HydrophobicContact CD2-CD1 3.88Å; L60-L102 HydrophobicContact CD2-CD2 3.78Å; L60-L102 HydrophobicContact CD2-CG 4.13Å; L60-I122 VanDerWaalsContact CD1-O 3.3Å; L60-I122 WeakPolarHBondContact CD1-O 3.11Å; L60-F123 HydrophobicContact CD1-CD1 3.42Å; L60-F123 VanDerWaalsContact CD1-CD1 3.42Å; L60-F123 HydrophobicContact CD1-CD2 4.44Å; L60-F123 HydrophobicContact CD1-CE1 3.52Å; L60-F123 HydrophobicContact CD1-CG 3.93Å; L60-F123 HydrophobicContact CD1-CZ 4.09Å; L60-F123 HydrophobicContact CD2-CE1 4.09Å; L60-F123 HydrophobicContact CG-CE1 4.5Å
61L80.5Confident71.9Confident59 Ų5968.7 Ų68.731%0.30934%0.34SS..EExtended strand (participates in β ladder)trans-101.5127.6175.1-80158.7000109.4P47 E49 I122P47-L61 HydrophobicContact CB-CD2 4.27Å; E49-L61 HydrophobicContact CG-CD2 3.97Å; L61-I122 PolarHBondContact O-N 2.95Å
62V86.6Confident71.9Confident0 Ų069.2 Ų69.20%034%0.342CS..EExtended strand (participates in β ladder)trans-113.5122177.1-176.40000107.6L48 A50 I64 L81 L102 I104 I119 M121L48-V62 PolarHBondContact N-O 3.46Å; L48-V62 PolarHBondContact O-N 3.48Å; A50-V62 HydrophobicContact CB-CG2 4.44Å; V62-I64 HydrophobicContact CG1-CG1 4.1Å; V62-L81 HydrophobicContact CB-CD1 4.14Å; V62-L81 HydrophobicContact CG1-CD2 4.31Å; V62-L81 HydrophobicContact CG2-CD1 4.01Å; V62-L81 HydrophobicContact CG2-CD2 4.41Å; V62-L102 HydrophobicContact CG2-CD1 4.41Å; V62-L102 HydrophobicContact CG2-CD2 3.42Å; V62-L102 VanDerWaalsContact CG2-CD2 3.42Å; V62-I104 HydrophobicContact CG1-CD1 3.8Å; V62-I119 HydrophobicContact CG1-CG2 3.98Å; V62-M121 HydrophobicContact CG1-CG 4.16Å; V62-M121 HydrophobicContact CG2-CG 4.45Å
63W88.2Confident72.5Confident83 Ų8366.7 Ų66.731%0.31434%0.335SS..EExtended strand (participates in β ladder)trans-105.5116.4179-63.580.6000109.5M45 I46 P47 I119 K120M45-W63 HydrophobicContact CB-CB 4.27Å; M45-W63 HydrophobicContact CB-CE3 3.77Å; M45-W63 HydrophobicContact CE-CB 3.81Å; M45-W63 WeakPolarHBondContact CE-O 3.44Å; I46-W63 WeakPolarHBondContact O-CA 3.4Å; P47-W63 HydrophobicContact CB-CD2 4Å; P47-W63 HydrophobicContact CB-CE3 3.83Å; P47-W63 HydrophobicContact CB-CH2 3.81Å; P47-W63 HydrophobicContact CB-CZ2 3.94Å; P47-W63 HydrophobicContact CB-CZ3 3.75Å; P47-W63 HydrophobicContact CG-CE3 4.27Å; P47-W63 HydrophobicContact CG-CH2 4.02Å; P47-W63 HydrophobicContact CG-CZ3 3.82Å; W63-I119 WeakPolarHBondContact O-CA 3.32Å; W63-I119 WeakPolarHBondContact O-CG2 2.96Å; W63-K120 HydrophobicContact CB-CB 4.1Å; W63-K120 PolarHBondContact N-O 3.16Å; W63-K120 PolarHBondContact O-N 3.36Å
64I87.9Confident73.2Confident0 Ų069.5 Ų69.50%035%0.354CS..EExtended strand (participates in β ladder)trans-106.1133.1-178.8-58.3-174.2000109.8M45 I46 L48 V62 V66 L69 I79 I104M45-I64 WeakPolarHBondContact CA-O 3.23Å; I46-I64 PolarHBondContact N-O 3.44Å; I46-I64 PolarHBondContact O-N 3.41Å; L48-I64 HydrophobicContact CD1-CD1 3.59Å; L48-I64 HydrophobicContact CD1-CG1 4.22Å; V62-I64 HydrophobicContact CG1-CG1 4.1Å; I64-V66 PolarHBondContact O-N 2.63Å; I64-L69 HydrophobicContact CB-CD1 4.43Å; I64-L69 HydrophobicContact CG2-CD1 3.87Å; I64-L69 HydrophobicContact CG2-CD2 4.13Å; I64-L69 HydrophobicContact CG2-CG 3.99Å; I64-I79 HydrophobicContact CD1-CD1 3.62Å; I64-I79 HydrophobicContact CD1-CG2 3.99Å; I64-I104 HydrophobicContact CD1-CG2 4.27Å
65P88.1Confident74.3Confident2 Ų269.5 Ų69.51%0.01335%0.354CS..EExtended strand (participates in β ladder)trans-61.2129.3178.5-21.130000113.4M45 N67 A68 P117M45-P65 HydrophobicContact CE-CG 4.29Å; M45-P65 WeakPolarHBondContact SD-CA 3.49Å; M45-P65 HydrophobicContact SD-CB 3.89Å; M45-P65 HydrophobicContact SD-CG 3.71Å; M45-P65 VanDerWaalsContact SD-N 3.44Å; P65-N67 VanDerWaalsContact C-N 3.25Å; P65-N67 PolarHBondContact O-N 2.99Å; P65-A68 HydrophobicContact CB-CB 4.32Å; P65-A68 WeakPolarHBondContact O-CB 3.45Å; P65-A68 PolarHBondContact O-N 3.39Å; P65-P117 HydrophobicContact CB-CG 4.12Å; P65-P117 HydrophobicContact CG-CG 4.24Å; P65-P117 WeakPolarHBondContact CG-O 3.33Å
66V85.9Confident75.7Confident2 Ų264 Ų641%0.01233%0.329CS..Hα-helixtrans-59.5-38.1177.4170.60000111.2L39 D44 I46 I64 A68 L69 K70L39-V66 HydrophobicContact CB-CG1 4.4Å; L39-V66 HydrophobicContact CD2-CB 4.45Å; L39-V66 HydrophobicContact CD2-CG1 3.85Å; D44-V66 PolarHBondContact O-N 3.3Å; I46-V66 HydrophobicContact CD1-CG2 4.1Å; I46-V66 HydrophobicContact CG1-CG2 3.85Å; I64-V66 PolarHBondContact O-N 2.63Å; V66-A68 VanDerWaalsContact C-N 3.29Å; V66-A68 PolarHBondContact O-N 3.2Å; V66-L69 PolarHBondContact O-N 3.34Å; V66-L69 VanDerWaalsContact O-N 3.14Å; V66-K70 HydrophobicContact CG1-CD 3.88Å; V66-K70 VanDerWaalsContact CG1-CE 3.47Å; V66-K70 HydrophobicContact CG1-CG 4.11Å; V66-K70 PolarHBondContact O-N 3.47Å
67N83.7Confident77.2Confident87 Ų8759.9 Ų59.947%0.46531%0.306SS..Hα-helixtrans-60.4-37.3179.7-70.2-16000112.9P65 L69 N71P65-N67 VanDerWaalsContact C-N 3.25Å; P65-N67 PolarHBondContact O-N 2.99Å; N67-L69 VanDerWaalsContact C-N 3.3Å; N67-L69 PolarHBondContact O-N 3.34Å; N67-N71 VanDerWaalsContact O-CG 3.25Å; N67-N71 PolarHBondContact O-N 3.15Å; N67-N71 PolarHBondContact O-ND2 2.96Å
68A82.4Confident79.4Confident13 Ų1355.9 Ų55.911%0.10728%0.278CS..Hα-helixtrans-66.1-37.7178.400000111.5P65 V66 L112 L115P65-A68 HydrophobicContact CB-CB 4.32Å; P65-A68 WeakPolarHBondContact O-CB 3.45Å; P65-A68 PolarHBondContact O-N 3.39Å; V66-A68 VanDerWaalsContact C-N 3.29Å; V66-A68 PolarHBondContact O-N 3.2Å; A68-L112 HydrophobicContact CB-CD2 3.74Å; A68-L115 HydrophobicContact CB-CD2 3.49Å; A68-L115 VanDerWaalsContact CB-CD2 3.49Å
69L81.9Confident80.9Confident0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-81.1-28.8-178.6-58.9175.5000113.2I34 L39 I46 I64 V66 N67 N71 M72 R77 I79I34-L69 HydrophobicContact CD1-CD1 3.52Å; I34-L69 HydrophobicContact CD1-CD2 4.5Å; L39-L69 HydrophobicContact CD2-CB 3.78Å; L39-L69 HydrophobicContact CD2-CD1 4.3Å; I46-L69 HydrophobicContact CD1-CD1 3.72Å; I64-L69 HydrophobicContact CB-CD1 4.43Å; I64-L69 HydrophobicContact CG2-CD1 3.87Å; I64-L69 HydrophobicContact CG2-CD2 4.13Å; I64-L69 HydrophobicContact CG2-CG 3.99Å; V66-L69 PolarHBondContact O-N 3.34Å; V66-L69 VanDerWaalsContact O-N 3.14Å; N67-L69 VanDerWaalsContact C-N 3.3Å; N67-L69 PolarHBondContact O-N 3.34Å; L69-N71 PolarHBondContact O-N 2.92Å; L69-M72 HydrophobicContact CD2-CE 4.41Å; L69-M72 HydrophobicContact CD2-SD 4.06Å; L69-M72 PolarHBondContact O-N 3.22Å; L69-R77 WeakPolarHBondContact O-CD 3.45Å; L69-I79 HydrophobicContact CD1-CD1 4.1Å; L69-I79 HydrophobicContact CD2-CD1 3.53Å; L69-I79 HydrophobicContact CD2-CG1 4.36Å; L69-I79 HydrophobicContact CG-CD1 4.45Å
70K80.9Confident82.4Confident103 Ų10345 Ų4545%0.44823%0.23SC..Hα-helixtrans-66.6-27.8172.3-79.8-178.9176.7169.60112.7L39 V66 M72L39-K70 HydrophobicContact CD1-CG 4.37Å; V66-K70 HydrophobicContact CG1-CD 3.88Å; V66-K70 VanDerWaalsContact CG1-CE 3.47Å; V66-K70 HydrophobicContact CG1-CG 4.11Å; V66-K70 PolarHBondContact O-N 3.47Å; K70-M72 VanDerWaalsContact C-N 3.25Å; K70-M72 PolarHBondContact O-N 3.14Å
71N78.2Confident83.3Confident143 Ų14344.6 Ų44.677%0.76523%0.228SC*.THydrogen-bonded Turntrans-77.7-10.8178.3-67-15.7000113.1N67 L69N67-N71 VanDerWaalsContact O-CG 3.25Å; N67-N71 PolarHBondContact O-N 3.15Å; N67-N71 PolarHBondContact O-ND2 2.96Å; L69-N71 PolarHBondContact O-N 2.92Å
72M78.5Confident83.6Confident17 Ų1741.8 Ų41.88%0.08421%0.213CC..SBendtrans-91.7143.9178.5-66.7173.4-172.800111.6L69 K70 R77 E106 L112L69-M72 HydrophobicContact CD2-CE 4.41Å; L69-M72 HydrophobicContact CD2-SD 4.06Å; L69-M72 PolarHBondContact O-N 3.22Å; K70-M72 VanDerWaalsContact C-N 3.25Å; K70-M72 PolarHBondContact O-N 3.14Å; M72-R77 HydrophobicContact CB-CG 3.86Å; M72-E106 WeakPolarHBondContact CE-OE2 3.47Å; M72-L112 HydrophobicContact CE-CD1 4.27Å; M72-L112 HydrophobicContact CE-CD2 3.43Å; M72-L112 VanDerWaalsContact CE-CD2 3.43Å; M72-L112 HydrophobicContact CE-CG 3.69Å
73P80.7Confident83.6Confident62 Ų6241.8 Ų41.840%0.40321%0.213SC..  trans-64.2145.717426.8-31.8000110.5E75 E76 R77P73-E75 PolarHBondContact O-N 3.37Å; P73-E76 HydrophobicContact CG-CB 3.92Å; P73-E76 HydrophobicContact CG-CG 3.78Å; P73-E76 PolarHBondContact O-N 2.89Å; P73-R77 PolarHBondContact O-N 3.47Å
74P76.9Confident83.3Confident82 Ų8238.3 Ų38.353%0.53220%0.2SC..THydrogen-bonded Turntrans-53.3-31.6-174.5-29.335.3000115.8E76P74-E76 VanDerWaalsContact C-N 3.32Å
75E74.6Confident82.3Confident179 Ų17941.5 Ų41.584%0.83622%0.216SC*.THydrogen-bonded Turntrans-72.3-25.3-179.1-59.7-178.8-174.100112.5P73P73-E75 PolarHBondContact O-N 3.37Å
76E77.7Confident81.3Confident73 Ų7345 Ų4534%0.34124%0.235SC..THydrogen-bonded Turntrans-99.3-3-178.1-63.7175.7-156.700113.1P73 P74 V78 G108P73-E76 HydrophobicContact CG-CB 3.92Å; P73-E76 HydrophobicContact CG-CG 3.78Å; P73-E76 PolarHBondContact O-N 2.89Å; P74-E76 VanDerWaalsContact C-N 3.32Å; E76-V78 PolarHBondContact O-N 2.79Å; E76-G108 WeakPolarHBondContact OE2-CA 3.44Å
77R84Confident80.5Confident11 Ų1147.4 Ų47.44%0.04225%0.246CC..  trans-74.950.3178.3-67.1-171.1-58.2-157.3-4.2113I34 D36 L69 M72 P73I34-R77 HydrophobicContact CB-CB 4.42Å; I34-R77 PolarHBondContact N-O 3.42Å; I34-R77 PolarHBondContact O-NE 3.45Å; D36-R77 IonicContact OD1-CZ 3.48Å; D36-R77 VanDerWaalsContact OD1-CZ 3.29Å; D36-R77 IonicContact OD1-NH1 3.23Å; D36-R77 PolarHBondContact OD1-NH1 3.16Å; D36-R77 IonicContact OD1-NH2 3.65Å; D36-R77 PolarHBondContact OD1-NH2 2.97Å; D36-R77 IonicContact OD2-CZ 3.7Å; D36-R77 IonicContact OD2-NH1 3.63Å; D36-R77 IonicContact OD2-NH2 3.16Å; D36-R77 PolarHBondContact OD2-NH2 3.3Å; L69-R77 WeakPolarHBondContact O-CD 3.45Å; M72-R77 HydrophobicContact CB-CG 3.86Å; P73-R77 PolarHBondContact O-N 3.47Å
78V86.6Confident79.7Confident18 Ų1846.2 Ų46.211%0.10924%0.244CC..EExtended strand (participates in β ladder)trans-115118.7174.7-178.10000108M9 V31 F32 K33 E76 S107M9-V78 HydrophobicContact CB-CG1 4.26Å; M9-V78 HydrophobicContact CE-CG1 4.09Å; M9-V78 WeakPolarHBondContact CE-O 3.44Å; V31-V78 HydrophobicContact CG1-CG1 3.48Å; V31-V78 VanDerWaalsContact CG1-CG1 3.48Å; F32-V78 CarbonylContact O-C 3.54Å; F32-V78 VanDerWaalsContact O-CA 3.31Å; F32-V78 WeakPolarHBondContact O-CA 3.49Å; K33-V78 HydrophobicContact CG-CG2 4.36Å; E76-V78 PolarHBondContact O-N 2.79Å; V78-S107 PolarHBondContact O-N 3.43Å; V78-S107 VanDerWaalsContact O-N 3.08Å
79I88.3Confident79Confident2 Ų251 Ų511%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-111.6128.2-178.5-54.8-176.2000109.2V31 F32 I34 L48 I64 L69 L81 I104 E105V31-I79 CarbonylContact C-O 3.56Å; V31-I79 WeakPolarHBondContact CA-O 3.3Å; F32-I79 PolarHBondContact N-O 3.14Å; F32-I79 PolarHBondContact O-N 2.95Å; I34-I79 HydrophobicContact CD1-CD1 3.42Å; I34-I79 VanDerWaalsContact CD1-CD1 3.42Å; I34-I79 HydrophobicContact CD1-CG1 4.02Å; L48-I79 HydrophobicContact CD1-CD1 4.15Å; L48-I79 HydrophobicContact CD1-CG2 4.24Å; I64-I79 HydrophobicContact CD1-CD1 3.62Å; I64-I79 HydrophobicContact CD1-CG2 3.99Å; L69-I79 HydrophobicContact CD1-CD1 4.1Å; L69-I79 HydrophobicContact CD2-CD1 3.53Å; L69-I79 HydrophobicContact CD2-CG1 4.36Å; L69-I79 HydrophobicContact CG-CD1 4.45Å; I79-L81 HydrophobicContact CG2-CD2 4.35Å; I79-I104 HydrophobicContact CG2-CG2 4.1Å; I79-E105 WeakPolarHBondContact CA-O 3.35Å
80G88.3Confident78.4Confident0 Ų051.5 Ų51.50%027%0.266CS..EExtended strand (participates in β ladder)trans-102.5115.8170.800000110.3M9 E105M9-G80 VanDerWaalsContact CE-N 3.32Å; G80-E105 PolarHBondContact N-O 3.06Å; G80-E105 PolarHBondContact O-N 3.5Å
81L88.9Confident77.5Confident0 Ų052.7 Ų52.70%027%0.273CS..EExtended strand (participates in β ladder)trans-92.2124.1165.2-64.1-173.3000109.2V29 K30 F32 L48 A50 V62 I79 I104V29-L81 CarbonylContact C-O 3.57Å; V29-L81 WeakPolarHBondContact CA-O 3.23Å; K30-L81 PolarHBondContact N-O 3.3Å; K30-L81 PolarHBondContact O-N 2.93Å; F32-L81 HydrophobicContact CD2-CG 4.39Å; F32-L81 HydrophobicContact CE2-CB 4.38Å; F32-L81 HydrophobicContact CE2-CD1 3.82Å; F32-L81 HydrophobicContact CE2-CG 4Å; F32-L81 HydrophobicContact CZ-CD1 4.48Å; L48-L81 HydrophobicContact CB-CD1 3.66Å; L48-L81 HydrophobicContact CD1-CD1 4.49Å; A50-L81 HydrophobicContact CB-CD1 4.17Å; V62-L81 HydrophobicContact CB-CD1 4.14Å; V62-L81 HydrophobicContact CG1-CD2 4.31Å; V62-L81 HydrophobicContact CG2-CD1 4.01Å; V62-L81 HydrophobicContact CG2-CD2 4.41Å; I79-L81 HydrophobicContact CG2-CD2 4.35Å; L81-I104 HydrophobicContact CD2-CB 4.36Å; L81-I104 HydrophobicContact CD2-CG1 3.82Å; L81-I104 HydrophobicContact CD2-CG2 4.18Å
82V88.1Confident76.6Confident0 Ų051.3 Ų51.30%026%0.261CS..EExtended strand (participates in β ladder)trans-118.4127.2-177.4-173.90000110.3I5 L27 S28 V29 Y84 L102 R103I5-V82 HydrophobicContact CD1-CG1 4.32Å; I5-V82 HydrophobicContact CD1-CG2 4Å; I5-V82 HydrophobicContact CG1-CG2 4.29Å; I5-V82 HydrophobicContact CG2-CG2 3.93Å; L27-V82 HydrophobicContact CB-CG1 4.15Å; L27-V82 HydrophobicContact CD1-CG1 4.03Å; L27-V82 HydrophobicContact CD2-CG1 4.46Å; L27-V82 HydrophobicContact CG-CG1 4.45Å; S28-V82 CarbonylContact O-C 3.58Å; S28-V82 WeakPolarHBondContact O-CA 3.49Å; V29-V82 HydrophobicContact CB-CG2 4.43Å; V29-V82 HydrophobicContact CG1-CG2 4.1Å; V29-V82 HydrophobicContact CG2-CG1 4.23Å; V29-V82 HydrophobicContact CG2-CG2 3.98Å; V82-Y84 HydrophobicContact CG1-CE2 4.15Å; V82-L102 CarbonylContact O-C 3.57Å; V82-L102 WeakPolarHBondContact O-CA 3.41Å; V82-R103 HydrophobicContact CB-CB 4.14Å; V82-R103 PolarHBondContact N-O 2.94Å; V82-R103 PolarHBondContact O-N 3.48Å
83S86.6Confident75.7Confident0 Ų055 Ų550%028%0.281CS..EExtended strand (participates in β ladder)trans-114.3122.5179-670000109.5L27 S28 P51 M100L27-S83 CarbonylContact C-O 3.54Å; L27-S83 VanDerWaalsContact CA-O 3.27Å; L27-S83 WeakPolarHBondContact CA-O 3.34Å; S28-S83 PolarHBondContact N-O 3.06Å; S28-S83 PolarHBondContact O-N 3.24Å; P51-S83 WeakPolarHBondContact CD-OG 3.39Å; P51-S83 WeakPolarHBondContact CG-OG 3.4Å; P51-S83 WeakPolarHBondContact O-CB 3.34Å; P51-S83 PolarHBondContact O-OG 3.46Å; S83-M100 WeakPolarHBondContact OG-CE 3.5Å
84Y81.2Confident74.7Confident10 Ų1059.5 Ų59.54%0.03929%0.294CS..EExtended strand (participates in β ladder)trans-88.3136.3178.6-64.8-92.5000112E1 L27 V82 F90 V101 R103E1-Y84 WeakPolarHBondContact OE1-CE1 3.18Å; E1-Y84 PolarHBondContact OE1-OH 3.25Å; L27-Y84 HydrophobicContact CB-CD1 4.06Å; L27-Y84 HydrophobicContact CB-CE1 4.37Å; L27-Y84 HydrophobicContact CD2-CD1 4.44Å; L27-Y84 HydrophobicContact CD2-CE1 4.01Å; V82-Y84 HydrophobicContact CG1-CE2 4.15Å; Y84-F90 AromaticContact CD1-CE2 3.59Å; Y84-F90 HydrophobicContact CD1-CE2 3.59Å; Y84-F90 AromaticContact CD1-CZ 3.95Å; Y84-F90 HydrophobicContact CD1-CZ 3.95Å; Y84-F90 AromaticContact CD2-CE2 3.89Å; Y84-F90 HydrophobicContact CD2-CE2 3.89Å; Y84-F90 AromaticContact CD2-CZ 3.97Å; Y84-F90 HydrophobicContact CD2-CZ 3.97Å; Y84-F90 AromaticContact CE1-CE2 3.83Å; Y84-F90 HydrophobicContact CE1-CE2 3.83Å; Y84-F90 AromaticContact CE1-CZ 3.69Å; Y84-F90 HydrophobicContact CE1-CZ 3.69Å; Y84-F90 HydrophobicContact CE2-CE2 4.11Å; Y84-F90 AromaticContact CE2-CZ 3.71Å; Y84-F90 HydrophobicContact CE2-CZ 3.71Å; Y84-F90 AromaticContact CG-CE2 3.61Å; Y84-F90 HydrophobicContact CG-CE2 3.61Å; Y84-F90 HydrophobicContact CG-CZ 4.07Å; Y84-F90 AromaticContact CZ-CZ 3.56Å; Y84-V101 HydrophobicContact CD2-CB 3.8Å; Y84-V101 HydrophobicContact CD2-CG1 3.74Å; Y84-V101 WeakPolarHBondContact CD2-O 3.49Å; Y84-V101 HydrophobicContact CE2-CG1 4.1Å; Y84-V101 HydrophobicContact CG-CB 4.36Å; Y84-V101 PolarHBondContact N-O 2.95Å; Y84-R103 HydrophobicContact CE2-CB 3.86Å; Y84-R103 WeakPolarHBondContact OH-CD 3.41Å; Y84-R103 PolarHBondContact OH-NH1 3.28Å
85M66Low74.2Confident67 Ų6757.6 Ų57.633%0.3328%0.278SS..SBendtrans-83.3-24.4-178.5-58.8-83.3172.800112.5Y26 V53Y26-M85 WeakPolarHBondContact O-CB 3.49Å; Y26-M85 PolarHBondContact O-N 2.7Å; V53-M85 HydrophobicContact CB-CE 4.22Å; V53-M85 HydrophobicContact CB-SD 3.74Å; V53-M85 HydrophobicContact CG1-CE 4.3Å; V53-M85 HydrophobicContact CG1-CG 4.4Å; V53-M85 HydrophobicContact CG1-SD 3.19Å; V53-M85 WeakPolarHBondContact CG1-SD 3.38Å; V53-M85 HydrophobicContact CG2-CE 3.8Å; V53-M85 HydrophobicContact CG2-SD 3.63Å
86D68.4Low74.2Confident77 Ų7754.8 Ų54.841%0.41227%0.265SS..  trans-133.1133.2180-173.70.1000109.5S88D86-S88 VanDerWaalsContact OD1-CB 3.31Å; D86-S88 WeakPolarHBondContact OD1-CB 3.46Å; D86-S88 PolarHBondContact OD1-N 2.89Å; D86-S88 PolarHBondContact OD1-OG 2.9Å; D86-S88 VanDerWaalsContact OD1-OG 3.12Å; D86-S88 PolarHBondContact OD2-OG 3.42Å
87H68.9Low74.1Confident52 Ų5252.7 Ų52.724%0.24126%0.256CS..SBendtrans-91.5-5.8179.9-53.8-32.6000112.7H89 F90 Q91 I97 S99 M100H87-H89 PolarHBondContact O-N 3.39Å; H87-H89 VanDerWaalsContact O-N 3.09Å; H87-F90 PolarHBondContact O-N 3.17Å; H87-Q91 PolarHBondContact O-N 3.04Å; H87-I97 HydrophobicContact CB-CB 4.45Å; H87-I97 HydrophobicContact CB-CD1 3.96Å; H87-I97 HydrophobicContact CB-CG2 4.33Å; H87-S99 PolarHBondContact NE2-O 3.5Å; H87-M100 VanDerWaalsContact CE1-CA 3.42Å; H87-M100 WeakPolarHBondContact CE1-CA 3.11Å
88S66.4Low73.8Confident61 Ų6154.2 Ų54.243%0.42727%0.267SS..G310 helixtrans-55.8-28.4179.764.70000113.4D86 F90D86-S88 VanDerWaalsContact OD1-CB 3.31Å; D86-S88 WeakPolarHBondContact OD1-CB 3.46Å; D86-S88 PolarHBondContact OD1-N 2.89Å; D86-S88 PolarHBondContact OD1-OG 2.9Å; D86-S88 VanDerWaalsContact OD1-OG 3.12Å; D86-S88 PolarHBondContact OD2-OG 3.42Å; S88-F90 VanDerWaalsContact C-N 3.26Å; S88-F90 PolarHBondContact O-N 3.23Å
89H68.1Low73.4Confident113 Ų11353.6 Ų53.652%0.52326%0.264SS..G310 helixtrans-74.1-12.9176.4-72.6-124.2000114.1H87 F92H87-H89 PolarHBondContact O-N 3.39Å; H87-H89 VanDerWaalsContact O-N 3.09Å; H89-F92 WeakPolarHBondContact O-CE2 3.35Å; H89-F92 WeakPolarHBondContact O-CZ 3.37Å
90F69.2Low73Confident12 Ų1254.4 Ų54.45%0.05327%0.268CS..G310 helixtrans-117.97.9-176.9-61-85.3000113Y84 H87 S88 F92 I97 V101 F140 W148Y84-F90 AromaticContact CD1-CE2 3.59Å; Y84-F90 HydrophobicContact CD1-CE2 3.59Å; Y84-F90 AromaticContact CD1-CZ 3.95Å; Y84-F90 HydrophobicContact CD1-CZ 3.95Å; Y84-F90 AromaticContact CD2-CE2 3.89Å; Y84-F90 HydrophobicContact CD2-CE2 3.89Å; Y84-F90 AromaticContact CD2-CZ 3.97Å; Y84-F90 HydrophobicContact CD2-CZ 3.97Å; Y84-F90 AromaticContact CE1-CE2 3.83Å; Y84-F90 HydrophobicContact CE1-CE2 3.83Å; Y84-F90 AromaticContact CE1-CZ 3.69Å; Y84-F90 HydrophobicContact CE1-CZ 3.69Å; Y84-F90 HydrophobicContact CE2-CE2 4.11Å; Y84-F90 AromaticContact CE2-CZ 3.71Å; Y84-F90 HydrophobicContact CE2-CZ 3.71Å; Y84-F90 AromaticContact CG-CE2 3.61Å; Y84-F90 HydrophobicContact CG-CE2 3.61Å; Y84-F90 HydrophobicContact CG-CZ 4.07Å; Y84-F90 AromaticContact CZ-CZ 3.56Å; H87-F90 PolarHBondContact O-N 3.17Å; S88-F90 VanDerWaalsContact C-N 3.26Å; S88-F90 PolarHBondContact O-N 3.23Å; F90-F92 PolarHBondContact O-N 2.88Å; F90-I97 HydrophobicContact CB-CD1 4.16Å; F90-V101 HydrophobicContact CB-CG2 4.37Å; F90-V101 HydrophobicContact CD1-CG1 4.38Å; F90-V101 HydrophobicContact CD2-CB 4.34Å; F90-V101 HydrophobicContact CD2-CG1 4.31Å; F90-V101 HydrophobicContact CD2-CG2 3.87Å; F90-V101 HydrophobicContact CE1-CG1 4.2Å; F90-V101 HydrophobicContact CE2-CB 4.34Å; F90-V101 HydrophobicContact CE2-CG1 4.13Å; F90-V101 HydrophobicContact CE2-CG2 4.38Å; F90-V101 HydrophobicContact CG-CG1 4.44Å; F90-V101 HydrophobicContact CG-CG2 4.09Å; F90-V101 HydrophobicContact CZ-CG1 4.08Å; F90-F140 AromaticContact CD1-CD1 3.91Å; F90-F140 HydrophobicContact CD1-CD1 3.91Å; F90-F140 HydrophobicContact CD1-CD2 4.47Å; F90-F140 HydrophobicContact CD1-CE1 4.28Å; F90-F140 HydrophobicContact CD1-CG 4.02Å; F90-F140 HydrophobicContact CE1-CD1 4.16Å; F90-W148 HydrophobicContact CB-CZ2 3.79Å; F90-W148 HydrophobicContact CG-CZ2 4.47Å; F90-W148 PolarHBondContact O-NE1 3.32Å
91Q62.7Low72.9Confident127 Ų12754.4 Ų54.459%0.59327%0.268SS*.  trans-95.985.4-178-165.4168.914.700110.2H87H87-Q91 PolarHBondContact O-N 3.04Å
92F58.9Low72.8Confident114 Ų11454.4 Ų54.450%0.527%0.268SS..  trans-101.7-21.4-180-65.4-86.4000113.2H89 F90 F140H89-F92 WeakPolarHBondContact O-CE2 3.35Å; H89-F92 WeakPolarHBondContact O-CZ 3.37Å; F90-F92 PolarHBondContact O-N 2.88Å; F92-F140 AromaticContact CD2-CE2 3.38Å; F92-F140 HydrophobicContact CD2-CE2 3.38Å; F92-F140 AromaticContact CD2-CZ 3.48Å; F92-F140 HydrophobicContact CD2-CZ 3.48Å; F92-F140 VanDerWaalsContact CD2-CZ 3.48Å; F92-F140 HydrophobicContact CE2-CE1 4.18Å; F92-F140 AromaticContact CE2-CE2 3.64Å; F92-F140 HydrophobicContact CE2-CE2 3.64Å; F92-F140 AromaticContact CE2-CZ 3.23Å; F92-F140 HydrophobicContact CE2-CZ 3.23Å; F92-F140 HydrophobicContact CG-CE2 4.36Å; F92-F140 HydrophobicContact CG-CZ 4.47Å; F92-F140 HydrophobicContact CZ-CZ 4.09Å
93D58.6Low72.8Confident94 Ų9455.1 Ų55.150%0.50327%0.271SS..SBendtrans-127178179.5-86-47.9000112.3E95D93-E95 HydrophobicContact CB-CG 4.14Å; D93-E95 PolarHBondContact O-N 3.47Å
94K59.4Low72.8Confident158 Ų15855.3 Ų55.369%0.68727%0.272SS*.SBendtrans-69.315.1176.5-58.6177.2-163.6167.20114.5D346K94-D346 WeakPolarHBondContact CE-OD2 3.42Å; K94-D346 IonicContact NZ-OD1 2.92Å; K94-D346 PolarHBondContact NZ-OD1 2.99Å; K94-D346 IonicContact NZ-OD2 2.63Å; K94-D346 PolarHBondContact NZ-OD2 3.31Å
95E67.6Low73.1Confident42 Ų4255.6 Ų55.620%0.19627%0.274CS..  trans-83.7132-175.1-57.2-171.8156.100109.9D93 R138 W148 L175D93-E95 HydrophobicContact CB-CG 4.14Å; D93-E95 PolarHBondContact O-N 3.47Å; E95-R138 VanDerWaalsContact CD-NH1 3.28Å; E95-R138 IonicContact OE1-CZ 2.85Å; E95-R138 IonicContact OE1-NH1 2.54Å; E95-R138 PolarHBondContact OE1-NH1 3.42Å; E95-R138 IonicContact OE2-NH1 2.8Å; E95-R138 PolarHBondContact OE2-NH1 3.43Å; E95-W148 VanDerWaalsContact OE2-CB 3.28Å; E95-W148 WeakPolarHBondContact OE2-CB 3.39Å; E95-L175 HydrophobicContact CB-CD2 3.77Å; E95-L175 HydrophobicContact CB-CG 4.45Å; E95-L175 HydrophobicContact CG-CD2 4.43Å; E95-L175 WeakPolarHBondContact OE2-CD2 3.35Å
96E73.9Confident74Confident120 Ų12053 Ų5356%0.56126%0.26SS*.EExtended strand (participates in β ladder)trans-91.4115.5-179.9-172173.5-176.700109.3C98 L175 L176E96-C98 PolarHBondContact O-N 2.85Å; E96-L175 CarbonylContact O-C 3.51Å; E96-L175 WeakPolarHBondContact O-CA 3.37Å; E96-L176 HydrophobicContact CB-CB 4.38Å; E96-L176 PolarHBondContact O-N 3.07Å
97I76.9Confident74.4Confident29 Ų2950.7 Ų50.715%0.14925%0.251CS..EExtended strand (participates in β ladder)trans-81.4115.1178.4-63.1168.5000108.4H87 F90 S99 W148 A173 L175H87-I97 HydrophobicContact CB-CB 4.45Å; H87-I97 HydrophobicContact CB-CD1 3.96Å; H87-I97 HydrophobicContact CB-CG2 4.33Å; F90-I97 HydrophobicContact CB-CD1 4.16Å; I97-S99 WeakPolarHBondContact CG2-O 3.39Å; I97-W148 HydrophobicContact CD1-CZ2 3.8Å; I97-W148 HydrophobicContact CG1-CZ2 4.35Å; I97-A173 HydrophobicContact CG2-CB 4.08Å; I97-L175 HydrophobicContact CG1-CD1 4.11Å; I97-L175 HydrophobicContact CG1-CG 4.21Å
98C77Confident74.2Confident42 Ų4248.9 Ų48.928%0.28425%0.246SC..  trans-101.1-6.7-176.3-68.60000114.3E96 V125 L135 V174 L176E96-C98 PolarHBondContact O-N 2.85Å; C98-V125 HydrophobicContact CB-CG1 3.7Å; C98-L135 HydrophobicContact CB-CD2 4.17Å; C98-V174 PolarHBondContact N-O 2.71Å; C98-L176 WeakPolarHBondContact SG-CB 3.14Å
99S78.9Confident73.9Confident6 Ų655.1 Ų55.14%0.04227%0.268CS..SBendtrans-124.2168.7173.576.60000111.7H87 I97 V174H87-S99 PolarHBondContact NE2-O 3.5Å; I97-S99 WeakPolarHBondContact CG2-O 3.39Å; S99-V174 PolarHBondContact N-O 2.99Å; S99-V174 PolarHBondContact OG-N 3.05Å
100M80.1Confident73.6Confident18 Ų1852.3 Ų52.39%0.08926%0.261CS..  trans-58.8147.8162.964.4-166.4-66.100112.1V53 L60 S83 H87 F123V53-M100 HydrophobicContact CG2-CE 4.02Å; L60-M100 HydrophobicContact CD2-CE 4.41Å; L60-M100 HydrophobicContact CD2-CG 4.42Å; L60-M100 HydrophobicContact CD2-SD 4Å; S83-M100 WeakPolarHBondContact OG-CE 3.5Å; H87-M100 VanDerWaalsContact CE1-CA 3.42Å; H87-M100 WeakPolarHBondContact CE1-CA 3.11Å; M100-F123 HydrophobicContact CG-CE1 4.34Å
101V84.6Confident73.6Confident0 Ų057.6 Ų57.60%029%0.286CS..  trans-79.2125.2168.7-178.90000108.1Y84 F90 W148 P171 F172 A173Y84-V101 HydrophobicContact CD2-CB 3.8Å; Y84-V101 HydrophobicContact CD2-CG1 3.74Å; Y84-V101 WeakPolarHBondContact CD2-O 3.49Å; Y84-V101 HydrophobicContact CE2-CG1 4.1Å; Y84-V101 HydrophobicContact CG-CB 4.36Å; Y84-V101 PolarHBondContact N-O 2.95Å; F90-V101 HydrophobicContact CB-CG2 4.37Å; F90-V101 HydrophobicContact CD1-CG1 4.38Å; F90-V101 HydrophobicContact CD2-CB 4.34Å; F90-V101 HydrophobicContact CD2-CG1 4.31Å; F90-V101 HydrophobicContact CD2-CG2 3.87Å; F90-V101 HydrophobicContact CE1-CG1 4.2Å; F90-V101 HydrophobicContact CE2-CB 4.34Å; F90-V101 HydrophobicContact CE2-CG1 4.13Å; F90-V101 HydrophobicContact CE2-CG2 4.38Å; F90-V101 HydrophobicContact CG-CG1 4.44Å; F90-V101 HydrophobicContact CG-CG2 4.09Å; F90-V101 HydrophobicContact CZ-CG1 4.08Å; V101-W148 HydrophobicContact CG1-CH2 4.42Å; V101-W148 HydrophobicContact CG2-CH2 4.18Å; V101-W148 HydrophobicContact CG2-CZ2 4.39Å; V101-P171 HydrophobicContact CG1-CB 4.26Å; V101-F172 CarbonylContact C-O 3.6Å; V101-F172 WeakPolarHBondContact CA-O 3.37Å; V101-A173 HydrophobicContact CG2-CB 4.16Å
102L87.1Confident74.3Confident0 Ų052 Ų520%026%0.26CS..EExtended strand (participates in β ladder)trans-110128.4177174.967.1000109.1A50 L60 V62 V82 M121 F123 P171 F172A50-L102 HydrophobicContact CB-CD1 3.98Å; L60-L102 HydrophobicContact CD2-CB 4.14Å; L60-L102 HydrophobicContact CD2-CD1 3.88Å; L60-L102 HydrophobicContact CD2-CD2 3.78Å; L60-L102 HydrophobicContact CD2-CG 4.13Å; V62-L102 HydrophobicContact CG2-CD1 4.41Å; V62-L102 HydrophobicContact CG2-CD2 3.42Å; V62-L102 VanDerWaalsContact CG2-CD2 3.42Å; V82-L102 CarbonylContact O-C 3.57Å; V82-L102 WeakPolarHBondContact O-CA 3.41Å; L102-M121 HydrophobicContact CD2-CG 3.98Å; L102-M121 HydrophobicContact CD2-SD 3.61Å; L102-F123 HydrophobicContact CB-CE1 4.49Å; L102-F123 HydrophobicContact CB-CZ 4.25Å; L102-F123 HydrophobicContact CD2-CZ 4.46Å; L102-P171 CarbonylContact O-C 3.53Å; L102-P171 WeakPolarHBondContact O-CA 3.5Å; L102-F172 PolarHBondContact N-O 3.28Å; L102-F172 PolarHBondContact O-N 3.4Å
103R87.7Confident75.4Confident15 Ų1552.3 Ų52.36%0.05726%0.263CS..EExtended strand (participates in β ladder)trans-120.5135.4174174.4179.9-161.813919.3110V82 Y84 E105 D142 P171V82-R103 HydrophobicContact CB-CB 4.14Å; V82-R103 PolarHBondContact N-O 2.94Å; V82-R103 PolarHBondContact O-N 3.48Å; Y84-R103 HydrophobicContact CE2-CB 3.86Å; Y84-R103 WeakPolarHBondContact OH-CD 3.41Å; Y84-R103 PolarHBondContact OH-NH1 3.28Å; R103-E105 HydrophobicContact CG-CG 4.06Å; R103-E105 IonicContact CZ-OE1 3.04Å; R103-E105 VanDerWaalsContact CZ-OE1 3.23Å; R103-E105 IonicContact NE-OE1 2.68Å; R103-E105 PolarHBondContact NE-OE1 3.43Å; R103-E105 IonicContact NH2-OE1 3.95Å; R103-E105 PolarHBondContact NH2-OE1 2.91Å; R103-D142 IonicContact CZ-OD2 3.47Å; R103-D142 IonicContact NH1-OD2 3.29Å; R103-D142 IonicContact NH2-OD2 3.85Å; R103-D142 PolarHBondContact NH2-OD2 3.07Å; R103-P171 HydrophobicContact CB-CB 4.28Å; R103-P171 HydrophobicContact CB-CG 4.47Å; R103-P171 HydrophobicContact CG-CG 4.22Å
104I88.1Confident76.5Confident4 Ų454.1 Ų54.12%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-112118.2178.2-53.4176.3000106.3V62 I64 I79 L81 I119 M121 A169 F172V62-I104 HydrophobicContact CG1-CD1 3.8Å; I64-I104 HydrophobicContact CD1-CG2 4.27Å; I79-I104 HydrophobicContact CG2-CG2 4.1Å; L81-I104 HydrophobicContact CD2-CB 4.36Å; L81-I104 HydrophobicContact CD2-CG1 3.82Å; L81-I104 HydrophobicContact CD2-CG2 4.18Å; I104-I119 HydrophobicContact CD1-CD1 3.99Å; I104-I119 HydrophobicContact CD1-CG2 3.94Å; I104-M121 HydrophobicContact CD1-SD 4.39Å; I104-A169 HydrophobicContact CB-CB 4.19Å; I104-A169 HydrophobicContact CG2-CB 4.27Å; I104-F172 HydrophobicContact CD1-CE2 4.35Å
105E86.4Confident77.7Confident17 Ų1747.4 Ų47.48%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-119.5146.2175.6-69.3-70.8172.600109.6K2 I5 H6 M9 I79 G80 R103K2-E105 WeakPolarHBondContact CE-OE2 3.47Å; K2-E105 IonicContact NZ-OE1 3.52Å; K2-E105 IonicContact NZ-OE2 2.76Å; K2-E105 PolarHBondContact NZ-OE2 3.34Å; K2-E105 VanDerWaalsContact NZ-OE2 3.16Å; I5-E105 HydrophobicContact CG2-CB 4.32Å; I5-E105 HydrophobicContact CG2-CG 4.3Å; H6-E105 IonicContact NE2-OE2 2.74Å; M9-E105 WeakPolarHBondContact CE-O 3.44Å; M9-E105 HydrophobicContact SD-CB 4.09Å; I79-E105 WeakPolarHBondContact CA-O 3.35Å; G80-E105 PolarHBondContact N-O 3.06Å; G80-E105 PolarHBondContact O-N 3.5Å; R103-E105 HydrophobicContact CG-CG 4.06Å; R103-E105 IonicContact CZ-OE1 3.04Å; R103-E105 VanDerWaalsContact CZ-OE1 3.23Å; R103-E105 IonicContact NE-OE1 2.68Å; R103-E105 PolarHBondContact NE-OE1 3.43Å; R103-E105 IonicContact NH2-OE1 3.95Å; R103-E105 PolarHBondContact NH2-OE1 2.91Å
106E85.4Confident78.5Confident11 Ų1154.2 Ų54.25%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-113.2156.3174.464.4-158.811900110H6 M72 S110 H111 L112H6-E106 PolarHBondContact CE1-O 3.29Å; H6-E106 PolarHBondContact ND1-O 3.47Å; M72-E106 WeakPolarHBondContact CE-OE2 3.47Å; E106-S110 WeakPolarHBondContact CG-O 3.28Å; E106-S110 PolarHBondContact OE2-OG 3.14Å; E106-H111 WeakPolarHBondContact OE1-CA 3.42Å; E106-L112 WeakPolarHBondContact OE1-CG 3.31Å; E106-L112 PolarHBondContact OE1-N 3.23Å
107S76.6Confident79Confident30 Ų3051.1 Ų51.121%0.2126%0.263CS..SBendtrans-78-24.4-178.5-1780000113N10 V78N10-S107 PolarHBondContact OD1-OG 3.46Å; V78-S107 PolarHBondContact O-N 3.43Å; V78-S107 VanDerWaalsContact O-N 3.08Å
108G65.5Low79.6Confident13 Ų1351.9 Ų51.913%0.13427%0.27CS..SBendtrans-79.7169.9179.900000115.2E76 S110E76-G108 WeakPolarHBondContact OE2-CA 3.44Å; G108-S110 VanDerWaalsContact C-N 3.33Å
109E58.9Low80.3Confident193 Ų19349.9 Ų49.990%0.90226%0.256SS*.SBendtrans-81.4-12.3173.9-69.3-170.4166.800113.1
110S61.2Low80.8Confident53 Ų5353.1 Ų53.137%0.37127%0.27SS..  trans-64.8139.6170.452.20000109.7E106 G108E106-S110 WeakPolarHBondContact CG-O 3.28Å; E106-S110 PolarHBondContact OE2-OG 3.14Å; G108-S110 VanDerWaalsContact C-N 3.33Å
111H69.9Low81.2Confident123 Ų12352.3 Ų52.357%0.56927%0.266SS*.  trans-99.4126166.9-73.5-81.1000109.2E106 Q113E106-H111 WeakPolarHBondContact OE1-CA 3.42Å; H111-Q113 HydrophobicContact CB-CG 3.99Å; H111-Q113 PolarHBondContact O-N 3.47Å
112L78.1Confident81.4Confident9 Ų953.6 Ų53.65%0.04727%0.272CS..  trans-58.893.3166.4-78.8166.7000110A68 M72 E106 L115 H168 A169A68-L112 HydrophobicContact CB-CD2 3.74Å; M72-L112 HydrophobicContact CE-CD1 4.27Å; M72-L112 HydrophobicContact CE-CD2 3.43Å; M72-L112 VanDerWaalsContact CE-CD2 3.43Å; M72-L112 HydrophobicContact CE-CG 3.69Å; E106-L112 WeakPolarHBondContact OE1-CG 3.31Å; E106-L112 PolarHBondContact OE1-N 3.23Å; L112-L115 HydrophobicContact CB-CD1 4.22Å; L112-L115 HydrophobicContact CD2-CD1 4.38Å; L112-L115 HydrophobicContact CD2-CD2 3.74Å; L112-H168 CarbonylContact O-C 3.48Å; L112-H168 WeakPolarHBondContact O-CA 3.29Å; L112-A169 HydrophobicContact CB-CB 3.54Å; L112-A169 HydrophobicContact CD1-CB 3.94Å; L112-A169 HydrophobicContact CG-CB 4.4Å; L112-A169 PolarHBondContact O-N 2.89Å
113Q82.1Confident81.2Confident121 Ų12153.8 Ų53.857%0.56527%0.273SS*.  trans-134.3155.8178.5-65.9-175.86.900111H111 L115 S167 H168H111-Q113 HydrophobicContact CB-CG 3.99Å; H111-Q113 PolarHBondContact O-N 3.47Å; Q113-L115 VanDerWaalsContact C-N 3.27Å; Q113-L115 PolarHBondContact O-N 3.28Å; Q113-S167 CarbonylContact C-O 3.54Å; Q113-H168 HydrophobicContact CG-CB 4.35Å
114N81.9Confident80.8Confident132 Ų13260 Ų6071%0.70630%0.297SS*.SBendtrans55.736.6179.7-60.5-54.5000114.4S167N114-S167 PolarHBondContact N-O 2.91Å
115L83.3Confident80.2Confident17 Ų1760.2 Ų60.29%0.08930%0.298CS..  trans-67.4131-177-59.8169.8000112A68 L112 Q113 P117 I119 S167A68-L115 HydrophobicContact CB-CD2 3.49Å; A68-L115 VanDerWaalsContact CB-CD2 3.49Å; L112-L115 HydrophobicContact CB-CD1 4.22Å; L112-L115 HydrophobicContact CD2-CD1 4.38Å; L112-L115 HydrophobicContact CD2-CD2 3.74Å; Q113-L115 VanDerWaalsContact C-N 3.27Å; Q113-L115 PolarHBondContact O-N 3.28Å; L115-P117 CarbonylContact C-O 3.45Å; L115-I119 HydrophobicContact CD1-CD1 3.58Å; L115-I119 HydrophobicContact CD1-CG1 3.44Å; L115-I119 VanDerWaalsContact CD1-CG1 3.44Å; L115-S167 WeakPolarHBondContact CB-O 3.27Å; L115-S167 WeakPolarHBondContact CG-O 3.5Å; L115-S167 PolarHBondContact N-O 3.29Å
116K83.9Confident79.4Confident186 Ų18664.6 Ų64.681%0.80933%0.326SS*.SBendtrans-136.8110174.6-65.6-177.7-178.4179.50108.9
117P85.9Confident78.4Confident55 Ų5568.1 Ų68.136%0.35734%0.341SS..SBendcis-66.9162.1-0.529.2-35.3000113.5M45 P65 L115M45-P117 HydrophobicContact SD-CG 3.94Å; P65-P117 HydrophobicContact CB-CG 4.12Å; P65-P117 HydrophobicContact CG-CG 4.24Å; P65-P117 WeakPolarHBondContact CG-O 3.33Å; L115-P117 CarbonylContact C-O 3.45Å
118P89.9Confident77.7Confident44 Ų4469 Ų6929%0.28635%0.346SS..PPolyproline II helixtrans-73.1157.417729.7-34.8000112.5M45 K120 K165 C166M45-P118 WeakPolarHBondContact CE-O 3.34Å; P118-K120 PolarHBondContact O-N 3.15Å; P118-K165 HydrophobicContact CB-CB 4.33Å; P118-K165 HydrophobicContact CG-CB 3.97Å; P118-C166 CarbonylContact C-O 3.52Å; P118-C166 WeakPolarHBondContact CA-O 3.39Å; P118-C166 VanDerWaalsContact CB-O 3.27Å; P118-C166 WeakPolarHBondContact CB-O 3.37Å
119I90.3Very high77.1Confident0 Ų078.1 Ų78.10%039%0.385CS..EExtended strand (participates in β ladder)trans-62130.1170.6-55.7179.7000108.5V62 W63 I104 L115 M121 K165 C166 H168 A169V62-I119 HydrophobicContact CG1-CG2 3.98Å; W63-I119 WeakPolarHBondContact O-CA 3.32Å; W63-I119 WeakPolarHBondContact O-CG2 2.96Å; I104-I119 HydrophobicContact CD1-CD1 3.99Å; I104-I119 HydrophobicContact CD1-CG2 3.94Å; L115-I119 HydrophobicContact CD1-CD1 3.58Å; L115-I119 HydrophobicContact CD1-CG1 3.44Å; L115-I119 VanDerWaalsContact CD1-CG1 3.44Å; I119-M121 HydrophobicContact CG2-CG 4.14Å; I119-K165 CarbonylContact O-C 3.6Å; I119-K165 VanDerWaalsContact O-CA 3.28Å; I119-K165 WeakPolarHBondContact O-CA 3.44Å; I119-C166 PolarHBondContact N-O 2.98Å; I119-C166 PolarHBondContact O-N 2.95Å; I119-H168 WeakPolarHBondContact CD1-O 3.48Å; I119-A169 HydrophobicContact CD1-CB 4.16Å
120K90.1Very high76.8Confident75 Ų7571.7 Ų71.733%0.32636%0.359SS..EExtended strand (participates in β ladder)trans-108.4121.1178.4-179.8-173.9-175.7-1790110.3M45 W63 P118 T163 C164M45-K120 HydrophobicContact CE-CB 4.14Å; W63-K120 HydrophobicContact CB-CB 4.1Å; W63-K120 PolarHBondContact N-O 3.16Å; W63-K120 PolarHBondContact O-N 3.36Å; P118-K120 PolarHBondContact O-N 3.15Å; K120-T163 HydrophobicContact CD-CG2 4.2Å; K120-T163 VanDerWaalsContact CE-CG2 3.43Å; K120-T163 HydrophobicContact CG-CG2 3.79Å; K120-C164 CarbonylContact C-O 3.58Å; K120-C164 WeakPolarHBondContact CA-O 3.29Å
121M89.1Confident76.4Confident0 Ų074.4 Ų74.40%037%0.37CS..EExtended strand (participates in β ladder)trans-120.1137.5178.6-59.6166-71.600109V62 L102 I104 I119 F123 T163 C164 C166 F172V62-M121 HydrophobicContact CG1-CG 4.16Å; V62-M121 HydrophobicContact CG2-CG 4.45Å; L102-M121 HydrophobicContact CD2-CG 3.98Å; L102-M121 HydrophobicContact CD2-SD 3.61Å; I104-M121 HydrophobicContact CD1-SD 4.39Å; I119-M121 HydrophobicContact CG2-CG 4.14Å; M121-F123 HydrophobicContact CB-CD2 4.4Å; M121-F123 HydrophobicContact CB-CE2 3.69Å; M121-F123 HydrophobicContact CB-CZ 4.32Å; M121-T163 CarbonylContact O-C 3.59Å; M121-T163 WeakPolarHBondContact O-CA 3.1Å; M121-C164 HydrophobicContact CB-CB 4.26Å; M121-C164 HydrophobicContact CE-CB 3.84Å; M121-C164 PolarHBondContact N-O 3.31Å; M121-C164 PolarHBondContact O-N 3.5Å; M121-C166 HydrophobicContact CE-CB 4.15Å; M121-F172 HydrophobicContact CE-CB 4.07Å; M121-F172 HydrophobicContact CE-CD1 4.03Å; M121-F172 HydrophobicContact CE-CD2 3.56Å; M121-F172 HydrophobicContact CE-CE1 4.4Å; M121-F172 HydrophobicContact CE-CE2 3.95Å; M121-F172 HydrophobicContact CE-CG 3.61Å; M121-F172 HydrophobicContact CE-CZ 4.38Å; M121-F172 HydrophobicContact SD-CB 4.15Å; M121-F172 HydrophobicContact SD-CD2 3.45Å; M121-F172 WeakPolarHBondContact SD-CD2 3.36Å; M121-F172 HydrophobicContact SD-CE2 4.07Å; M121-F172 HydrophobicContact SD-CG 3.94Å
122I87.4Confident75.7Confident27 Ų2770.6 Ų70.614%0.13835%0.353CS..EExtended strand (participates in β ladder)trans-121.4106.1-175.4-61.8-179.3000109.6L60 L61 Q161 T163L60-I122 VanDerWaalsContact CD1-O 3.3Å; L60-I122 WeakPolarHBondContact CD1-O 3.11Å; L61-I122 PolarHBondContact O-N 2.95Å; I122-Q161 HydrophobicContact CG2-CG 3.36Å; I122-T163 HydrophobicContact CG1-CG2 4.5Å
123F83.7Confident75.1Confident5 Ų570.5 Ų70.52%0.02235%0.353CS..EExtended strand (participates in β ladder)trans-95.5140.8175.6-61.2-90.3000110L60 M100 L102 M121 V125 Q161 V162 C164 V174L60-F123 HydrophobicContact CD1-CD1 3.42Å; L60-F123 VanDerWaalsContact CD1-CD1 3.42Å; L60-F123 HydrophobicContact CD1-CD2 4.44Å; L60-F123 HydrophobicContact CD1-CE1 3.52Å; L60-F123 HydrophobicContact CD1-CG 3.93Å; L60-F123 HydrophobicContact CD1-CZ 4.09Å; L60-F123 HydrophobicContact CD2-CE1 4.09Å; L60-F123 HydrophobicContact CG-CE1 4.5Å; M100-F123 HydrophobicContact CG-CE1 4.34Å; L102-F123 HydrophobicContact CB-CE1 4.49Å; L102-F123 HydrophobicContact CB-CZ 4.25Å; L102-F123 HydrophobicContact CD2-CZ 4.46Å; M121-F123 HydrophobicContact CB-CD2 4.4Å; M121-F123 HydrophobicContact CB-CE2 3.69Å; M121-F123 HydrophobicContact CB-CZ 4.32Å; F123-V125 HydrophobicContact CB-CG2 4.06Å; F123-Q161 CarbonylContact O-C 3.57Å; F123-Q161 WeakPolarHBondContact O-CA 3.45Å; F123-V162 HydrophobicContact CB-CB 4.48Å; F123-V162 PolarHBondContact N-O 3.34Å; F123-V162 PolarHBondContact O-N 3.21Å; F123-C164 VanDerWaalsContact CD2-SG 3.56Å; F123-C164 HydrophobicContact CE2-CB 4.32Å; F123-C164 VanDerWaalsContact CE2-SG 3.55Å; F123-V174 HydrophobicContact CB-CG2 3.78Å; F123-V174 HydrophobicContact CD1-CG2 4.37Å; F123-V174 HydrophobicContact CD2-CG2 3.59Å; F123-V174 HydrophobicContact CE2-CG2 4.26Å; F123-V174 HydrophobicContact CG-CG2 3.65Å
124R78.1Confident74.7Confident145 Ų14568.7 Ų68.755%0.54735%0.345SS..EExtended strand (participates in β ladder)trans-103.2108.9167.8-75.4-176.4179.1175.43.1108.5D160R124-D160 CarbonylContact C-O 3.6Å; R124-D160 VanDerWaalsContact CA-O 3.26Å; R124-D160 WeakPolarHBondContact CA-O 3.07Å
125V76Confident74.7Confident9 Ų962.5 Ų62.56%0.05531%0.312CS..  trans-123.6129.2-176.8-1760000107C98 F123 K127 L135 D160 V162 V174C98-V125 HydrophobicContact CB-CG1 3.7Å; F123-V125 HydrophobicContact CB-CG2 4.06Å; V125-K127 PolarHBondContact O-N 3.39Å; V125-L135 HydrophobicContact CB-CD1 4.35Å; V125-L135 HydrophobicContact CG1-CD1 4.17Å; V125-L135 HydrophobicContact CG1-CD2 4.09Å; V125-D160 PolarHBondContact N-O 3.38Å; V125-D160 CarbonylContact O-C 3.36Å; V125-V162 HydrophobicContact CB-CG2 4.37Å; V125-V162 HydrophobicContact CG2-CG2 4.44Å; V125-V174 HydrophobicContact CG2-CB 4.29Å; V125-V174 HydrophobicContact CG2-CG1 4.31Å; V125-V174 HydrophobicContact CG2-CG2 4.45Å
126V70Confident74.8Confident109 Ų10962.7 Ų62.766%0.66131%0.313SS*.  trans-74.9109.5171.1179.40000106.2P128V126-P128 WeakPolarHBondContact O-CD 3.34Å
127K64Low74.9Confident84 Ų8453.9 Ų53.937%0.36528%0.275SS..  trans-64.7126.4174.9-167.6-173.1173.1-179.60107.8V125 L135V125-K127 PolarHBondContact O-N 3.39Å; K127-L135 HydrophobicContact CB-CD1 4.08Å; K127-L135 HydrophobicContact CG-CD1 4.04Å
128P61.8Low75Confident49 Ų4953.4 Ų53.432%0.31827%0.266SS..  trans-58.3146168.121.7-28.2000109.3V126 T130 L176V126-P128 WeakPolarHBondContact O-CD 3.34Å; P128-T130 PolarHBondContact O-N 2.86Å; P128-L176 HydrophobicContact CG-CD1 3.88Å; P128-L176 HydrophobicContact CG-CD2 3.76Å
129E54.5Low74.8Confident204 Ų20452.7 Ų52.795%0.95326%0.258SS*.SBendtrans-64.721.4-177.4-69-171.2156.400114.4
130T51.5Low74.6Confident59 Ų5953.1 Ų53.136%0.36226%0.26SS..  trans-96.2123.9-175.844.90000111.2P128 D132 S133P128-T130 PolarHBondContact O-N 2.86Å; T130-D132 PolarHBondContact O-N 3.5Å; T130-S133 PolarHBondContact O-OG 3.17Å; T130-S133 PolarHBondContact OG1-OG 3.24Å
131N53.5Low74.2Confident110 Ų11050.4 Ų50.459%0.58825%0.249SC*.THydrogen-bonded Turntrans-72.7-15.7172.8-73.6-26.5000113S133N131-S133 VanDerWaalsContact C-N 3.3Å; N131-S133 PolarHBondContact O-N 3.33Å
132D55.3Low73.6Confident42 Ų4253 Ų5323%0.22526%0.263CS..THydrogen-bonded Turntrans-92.114.9-172.9-61-15.4000112.8T130 R178 M179 V419T130-D132 PolarHBondContact O-N 3.5Å; D132-R178 CarbonylContact O-C 3.55Å; D132-R178 WeakPolarHBondContact O-CA 3.31Å; D132-M179 PolarHBondContact O-N 2.89Å; D132-V419 PolarHBondContact OD2-N 3.04Å
133S64.9Low73Confident7 Ų757.1 Ų57.15%0.04929%0.289CS..EExtended strand (participates in β ladder)trans-142.8131.7-177.256.90000111.7T130 N131 I177T130-S133 PolarHBondContact O-OG 3.17Å; T130-S133 PolarHBondContact OG1-OG 3.24Å; N131-S133 VanDerWaalsContact C-N 3.3Å; N131-S133 PolarHBondContact O-N 3.33Å; S133-I177 CarbonylContact C-O 3.52Å; S133-I177 VanDerWaalsContact CA-O 3.24Å; S133-I177 WeakPolarHBondContact CA-O 3.47Å
134Q74.1Confident72.5Confident83 Ų8364.5 Ų64.539%0.38832%0.321SS..EExtended strand (participates in β ladder)trans-108.7136.6176.2-167.81755.800109.8L136 I177 M179Q134-L136 HydrophobicContact CG-CD2 4.42Å; Q134-L136 HydrophobicContact CG-CG 4.19Å; Q134-I177 PolarHBondContact N-O 3.27Å; Q134-I177 PolarHBondContact O-N 3.47Å; Q134-M179 HydrophobicContact CB-CG 3.99Å; Q134-M179 HydrophobicContact CB-SD 3.82Å
135L81.1Confident72Confident2 Ų262.4 Ų62.41%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-80.6125167.9-66.9168.6000107.7C98 V125 K127 I157 V162 V174 L175 L176C98-L135 HydrophobicContact CB-CD2 4.17Å; V125-L135 HydrophobicContact CB-CD1 4.35Å; V125-L135 HydrophobicContact CG1-CD1 4.17Å; V125-L135 HydrophobicContact CG1-CD2 4.09Å; K127-L135 HydrophobicContact CB-CD1 4.08Å; K127-L135 HydrophobicContact CG-CD1 4.04Å; L135-I157 HydrophobicContact CB-CD1 4.09Å; L135-V162 HydrophobicContact CB-CG2 4.25Å; L135-V162 HydrophobicContact CD1-CG2 3.79Å; L135-V174 HydrophobicContact CB-CG1 3.88Å; L135-V174 HydrophobicContact CD2-CG1 3.89Å; L135-V174 HydrophobicContact CG-CG1 4.39Å; L135-L175 CarbonylContact C-O 3.48Å; L135-L175 WeakPolarHBondContact CA-O 3.37Å; L135-L176 HydrophobicContact CD2-CB 4.28Å; L135-L176 HydrophobicContact CD2-CD1 3.74Å; L135-L176 HydrophobicContact CG-CD1 4.23Å
136L84.9Confident72.1Confident21 Ų2167.3 Ų67.311%0.1134%0.341CS..EExtended strand (participates in β ladder)trans-129.9136.9177.8-73.6167.7000110.1Q134 L175 I177Q134-L136 HydrophobicContact CG-CD2 4.42Å; Q134-L136 HydrophobicContact CG-CG 4.19Å; L136-L175 PolarHBondContact N-O 3.29Å; L136-L175 PolarHBondContact O-N 2.87Å; L136-I177 HydrophobicContact CB-CD1 4.07Å; L136-I177 HydrophobicContact CD1-CB 4.48Å; L136-I177 HydrophobicContact CD1-CD1 3.73Å; L136-I177 HydrophobicContact CG-CD1 4.45Å
137C86.3Confident72.5Confident2 Ų263.2 Ų63.21%0.01432%0.319CS..EExtended strand (participates in β ladder)trans-77.9121.4170.8-58.90000109.4T155 C164C137-T155 WeakPolarHBondContact CB-OG1 3.42Å; C137-T155 PolarHBondContact N-OG1 3.18Å; C137-T155 PolarHBondContact SG-OG1 3.29Å; C137-C164 HydrophobicContact CB-CB 3.54Å; C137-C164 WeakPolarHBondContact CB-SG 3.3Å; C137-C164 WeakPolarHBondContact SG-CA 3.45Å; C137-C164 WeakPolarHBondContact SG-CB 3.35Å; C137-C164 CovalentContact SG-SG 2.01Å; C137-C164 PolarHBondContact SG-SG 3.35Å
138R87.6Confident73.4Confident44 Ų4459.9 Ų59.917%0.16630%0.304CS..EExtended strand (participates in β ladder)trans-128.2156.9176.8-71.5-165.2172.5-179.32.2111.2E95 W148 K149 Q150 F172 A173 L175 I177E95-R138 VanDerWaalsContact CD-NH1 3.28Å; E95-R138 IonicContact OE1-CZ 2.85Å; E95-R138 IonicContact OE1-NH1 2.54Å; E95-R138 PolarHBondContact OE1-NH1 3.42Å; E95-R138 IonicContact OE2-NH1 2.8Å; E95-R138 PolarHBondContact OE2-NH1 3.43Å; R138-W148 HydrophobicContact CB-CB 4.39Å; R138-W148 HydrophobicContact CB-CE3 3.96Å; R138-K149 CarbonylContact C-O 3.52Å; R138-K149 VanDerWaalsContact CA-O 3.26Å; R138-K149 WeakPolarHBondContact CA-O 3.41Å; R138-K149 VanDerWaalsContact CB-O 3.26Å; R138-K149 WeakPolarHBondContact CB-O 3.15Å; R138-Q150 HydrophobicContact CG-CB 4.38Å; R138-F172 WeakPolarHBondContact O-CA 3.48Å; R138-A173 PolarHBondContact N-O 3.49Å; R138-A173 PolarHBondContact O-N 3.41Å; R138-L175 HydrophobicContact CB-CD2 4.4Å; R138-I177 VanDerWaalsContact NH2-CD1 3.33Å
139Y87.4Confident74.3Confident30 Ų3059.8 Ų59.812%0.11830%0.298CS..EExtended strand (participates in β ladder)trans-108.8150.7171.877-89.1000111.7D141 W148 K149 D151 H168 T170 P171Y139-D141 HydrophobicContact CE2-CB 4.21Å; Y139-W148 VanDerWaalsContact C-CE3 3.42Å; Y139-W148 CarbonylContact O-C 3.41Å; Y139-W148 WeakPolarHBondContact O-CA 3.35Å; Y139-K149 HydrophobicContact CD1-CB 4.03Å; Y139-K149 WeakPolarHBondContact CD1-O 3.33Å; Y139-K149 HydrophobicContact CE1-CB 3.42Å; Y139-K149 VanDerWaalsContact CE1-CB 3.42Å; Y139-K149 HydrophobicContact CE2-CB 4.03Å; Y139-K149 HydrophobicContact CE2-CD 4.35Å; Y139-K149 VanDerWaalsContact CZ-CB 3.42Å; Y139-K149 PolarHBondContact N-O 3.4Å; Y139-K149 PolarHBondContact O-N 2.8Å; Y139-K149 WeakPolarHBondContact OH-CD 3.4Å; Y139-D151 HydrophobicContact CE1-CB 4.06Å; Y139-D151 VanDerWaalsContact CE1-O 3.25Å; Y139-D151 WeakPolarHBondContact CE1-O 3.2Å; Y139-H168 AromaticContact CD1-CE1 3.56Å; Y139-H168 AromaticContact CD1-NE2 3.71Å; Y139-H168 AromaticContact CD2-CE1 3.99Å; Y139-H168 AromaticContact CE1-NE2 3.87Å; Y139-H168 AromaticContact CG-CE1 3.53Å; Y139-T170 WeakPolarHBondContact CB-OG1 3.35Å; Y139-T170 HydrophobicContact CD2-CG2 4.25Å; Y139-P171 CarbonylContact C-O 3.54Å; Y139-P171 WeakPolarHBondContact CA-O 3.3Å; Y139-P171 WeakPolarHBondContact CB-O 3.42Å
140F85.2Confident75.6Confident8 Ų853.9 Ų53.94%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-96120.6177-171.9-104.5000110F90 F92 D142 F146 W148 P171F90-F140 AromaticContact CD1-CD1 3.91Å; F90-F140 HydrophobicContact CD1-CD1 3.91Å; F90-F140 HydrophobicContact CD1-CD2 4.47Å; F90-F140 HydrophobicContact CD1-CE1 4.28Å; F90-F140 HydrophobicContact CD1-CG 4.02Å; F90-F140 HydrophobicContact CE1-CD1 4.16Å; F92-F140 AromaticContact CD2-CE2 3.38Å; F92-F140 HydrophobicContact CD2-CE2 3.38Å; F92-F140 AromaticContact CD2-CZ 3.48Å; F92-F140 HydrophobicContact CD2-CZ 3.48Å; F92-F140 VanDerWaalsContact CD2-CZ 3.48Å; F92-F140 HydrophobicContact CE2-CE1 4.18Å; F92-F140 AromaticContact CE2-CE2 3.64Å; F92-F140 HydrophobicContact CE2-CE2 3.64Å; F92-F140 AromaticContact CE2-CZ 3.23Å; F92-F140 HydrophobicContact CE2-CZ 3.23Å; F92-F140 HydrophobicContact CG-CE2 4.36Å; F92-F140 HydrophobicContact CG-CZ 4.47Å; F92-F140 HydrophobicContact CZ-CZ 4.09Å; F140-D142 HydrophobicContact CD1-CB 3.97Å; F140-D142 HydrophobicContact CE1-CB 3.98Å; F140-D142 PolarHBondContact O-N 3.09Å; F140-F146 WeakPolarHBondContact CE2-O 3.46Å; F140-F146 HydrophobicContact CZ-CB 4.29Å; F140-F146 HydrophobicContact CZ-CD1 4.46Å; F140-W148 HydrophobicContact CB-CD2 4.25Å; F140-W148 HydrophobicContact CB-CE3 3.93Å; F140-W148 HydrophobicContact CB-CH2 3.99Å; F140-W148 HydrophobicContact CB-CZ2 4.32Å; F140-W148 HydrophobicContact CB-CZ3 3.78Å; F140-W148 HydrophobicContact CD2-CD2 4.02Å; F140-W148 AromaticContact CD2-CE2 3.89Å; F140-W148 HydrophobicContact CD2-CG 4.27Å; F140-W148 HydrophobicContact CD2-CZ2 4.33Å; F140-W148 AromaticContact CD2-NE1 4Å; F140-P171 HydrophobicContact CB-CB 4.17Å; F140-P171 PolarHBondContact N-O 2.9Å
141D82.8Confident77.1Confident19 Ų1956.3 Ų56.310%0.10228%0.281CS..EExtended strand (participates in β ladder)trans-82.594.8174.6-177.8-7.5000109.9Y139 V143 K144 F146 A147 K149Y139-D141 HydrophobicContact CE2-CB 4.21Å; D141-V143 VanDerWaalsContact C-N 3.27Å; D141-V143 PolarHBondContact O-N 3.31Å; D141-V143 PolarHBondContact OD1-N 3.07Å; D141-V143 VanDerWaalsContact OD1-N 3.08Å; D141-K144 PolarHBondContact OD1-N 3.47Å; D141-F146 WeakPolarHBondContact O-CA 3.42Å; D141-F146 PolarHBondContact O-N 3.48Å; D141-A147 PolarHBondContact N-O 3.22Å; D141-K149 HydrophobicContact CB-CD 4.22Å; D141-K149 IonicContact OD2-NZ 3.37Å; D141-K149 PolarHBondContact OD2-NZ 3.28Å
142D76.2Confident78.5Confident55 Ų5553 Ų5329%0.29427%0.274SS..THydrogen-bonded Turntrans-85.710.8179.566.7-14.2000114.2R103 F140R103-D142 IonicContact CZ-OD2 3.47Å; R103-D142 IonicContact NH1-OD2 3.29Å; R103-D142 IonicContact NH2-OD2 3.85Å; R103-D142 PolarHBondContact NH2-OD2 3.07Å; F140-D142 HydrophobicContact CD1-CB 3.97Å; F140-D142 HydrophobicContact CE1-CB 3.98Å; F140-D142 PolarHBondContact O-N 3.09Å
143V73.6Confident79.9Confident113 Ų11351.4 Ų51.469%0.68527%0.265SS*.THydrogen-bonded Turntrans-114.5-48.4-174.6-177.10000112.8D141D141-V143 VanDerWaalsContact C-N 3.27Å; D141-V143 PolarHBondContact O-N 3.31Å; D141-V143 PolarHBondContact OD1-N 3.07Å; D141-V143 VanDerWaalsContact OD1-N 3.08Å
144K73.1Confident81Confident159 Ų15957.1 Ų57.169%0.69129%0.291SS*.THydrogen-bonded Turntrans-105.9-65.1-173.3-66.1-177.9-178.8177.90112.4D141D141-K144 PolarHBondContact OD1-N 3.47Å
145D68.8Low81.6Confident101 Ų10154.8 Ų54.854%0.5428%0.283SS..THydrogen-bonded Turntrans-105.6-7.9-162.3-60.4-26.5000113.1A147 K149D145-A147 HydrophobicContact CB-CB 4.26Å; D145-A147 PolarHBondContact O-N 3.16Å; D145-K149 WeakPolarHBondContact OD2-CE 3.36Å; D145-K149 IonicContact OD2-NZ 2.6Å; D145-K149 PolarHBondContact OD2-NZ 2.98Å
146F77.2Confident81.9Confident113 Ų11358.9 Ų58.950%0.49630%0.302SS..  trans5042-176.6-65.3-82.6000112.6F140 D141F140-F146 WeakPolarHBondContact CE2-O 3.46Å; F140-F146 HydrophobicContact CZ-CB 4.29Å; F140-F146 HydrophobicContact CZ-CD1 4.46Å; D141-F146 WeakPolarHBondContact O-CA 3.42Å; D141-F146 PolarHBondContact O-N 3.48Å
147A79.3Confident81.8Confident22 Ų2261.5 Ų61.518%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-135.1158.4-170.800000112.4D141 D145D141-A147 PolarHBondContact N-O 3.22Å; D145-A147 HydrophobicContact CB-CB 4.26Å; D145-A147 PolarHBondContact O-N 3.16Å
148W81.4Confident81.5Confident15 Ų1566.3 Ų66.36%0.05734%0.341CS..EExtended strand (participates in β ladder)trans-82.1129.3174.9-71103.1000111.3F90 E95 I97 V101 R138 Y139 F140 A173 L175F90-W148 HydrophobicContact CB-CZ2 3.79Å; F90-W148 HydrophobicContact CG-CZ2 4.47Å; F90-W148 PolarHBondContact O-NE1 3.32Å; E95-W148 VanDerWaalsContact OE2-CB 3.28Å; E95-W148 WeakPolarHBondContact OE2-CB 3.39Å; I97-W148 HydrophobicContact CD1-CZ2 3.8Å; I97-W148 HydrophobicContact CG1-CZ2 4.35Å; V101-W148 HydrophobicContact CG1-CH2 4.42Å; V101-W148 HydrophobicContact CG2-CH2 4.18Å; V101-W148 HydrophobicContact CG2-CZ2 4.39Å; R138-W148 HydrophobicContact CB-CB 4.39Å; R138-W148 HydrophobicContact CB-CE3 3.96Å; Y139-W148 VanDerWaalsContact C-CE3 3.42Å; Y139-W148 CarbonylContact O-C 3.41Å; Y139-W148 WeakPolarHBondContact O-CA 3.35Å; F140-W148 HydrophobicContact CB-CD2 4.25Å; F140-W148 HydrophobicContact CB-CE3 3.93Å; F140-W148 HydrophobicContact CB-CH2 3.99Å; F140-W148 HydrophobicContact CB-CZ2 4.32Å; F140-W148 HydrophobicContact CB-CZ3 3.78Å; F140-W148 HydrophobicContact CD2-CD2 4.02Å; F140-W148 AromaticContact CD2-CE2 3.89Å; F140-W148 HydrophobicContact CD2-CG 4.27Å; F140-W148 HydrophobicContact CD2-CZ2 4.33Å; F140-W148 AromaticContact CD2-NE1 4Å; W148-A173 HydrophobicContact CH2-CB 3.5Å; W148-A173 HydrophobicContact CZ2-CB 4.28Å; W148-A173 HydrophobicContact CZ3-CB 3.87Å; W148-L175 HydrophobicContact CB-CD2 4.01Å; W148-L175 HydrophobicContact CD2-CD1 4.25Å; W148-L175 HydrophobicContact CD2-CD2 3.93Å; W148-L175 HydrophobicContact CE3-CD1 4.2Å; W148-L175 HydrophobicContact CE3-CD2 4.44Å; W148-L175 HydrophobicContact CG-CD2 3.73Å; W148-L175 HydrophobicContact CH2-CD1 4.46Å; W148-L175 HydrophobicContact CZ2-CD1 4.47Å; W148-L175 HydrophobicContact CZ3-CD1 4.32Å
149K80.9Confident81.2Confident47 Ų4772.2 Ų72.220%0.20437%0.371CS..EExtended strand (participates in β ladder)trans-131.3160.9-177.1-68.7-179.6-179.2172.60111.5R138 Y139 D141 D145R138-K149 CarbonylContact C-O 3.52Å; R138-K149 VanDerWaalsContact CA-O 3.26Å; R138-K149 WeakPolarHBondContact CA-O 3.41Å; R138-K149 VanDerWaalsContact CB-O 3.26Å; R138-K149 WeakPolarHBondContact CB-O 3.15Å; Y139-K149 HydrophobicContact CD1-CB 4.03Å; Y139-K149 WeakPolarHBondContact CD1-O 3.33Å; Y139-K149 HydrophobicContact CE1-CB 3.42Å; Y139-K149 VanDerWaalsContact CE1-CB 3.42Å; Y139-K149 HydrophobicContact CE2-CB 4.03Å; Y139-K149 HydrophobicContact CE2-CD 4.35Å; Y139-K149 VanDerWaalsContact CZ-CB 3.42Å; Y139-K149 PolarHBondContact N-O 3.4Å; Y139-K149 PolarHBondContact O-N 2.8Å; Y139-K149 WeakPolarHBondContact OH-CD 3.4Å; D141-K149 HydrophobicContact CB-CD 4.22Å; D141-K149 IonicContact OD2-NZ 3.37Å; D141-K149 PolarHBondContact OD2-NZ 3.28Å; D145-K149 WeakPolarHBondContact OD2-CE 3.36Å; D145-K149 IonicContact OD2-NZ 2.6Å; D145-K149 PolarHBondContact OD2-NZ 2.98Å
150Q83.5Confident80.6Confident80 Ų8074.7 Ų74.737%0.37439%0.386SS..  trans-112.2-10.8-177.7-171.8173.4-29.900113.6R138 G152 C153R138-Q150 HydrophobicContact CG-CB 4.38Å; Q150-G152 PolarHBondContact O-N 3.41Å; Q150-C153 PolarHBondContact O-N 2.94Å
151D82.1Confident80.5Confident109 Ų10977.1 Ų77.158%0.58340%0.397SS*.THydrogen-bonded Turntrans-53.4126.4-175.3-54-58.2000113.1Y139 C153 H168Y139-D151 HydrophobicContact CE1-CB 4.06Å; Y139-D151 VanDerWaalsContact CE1-O 3.25Å; Y139-D151 WeakPolarHBondContact CE1-O 3.2Å; D151-C153 VanDerWaalsContact C-N 3.28Å; D151-C153 PolarHBondContact O-N 3.09Å; D151-H168 PolarHBondContact O-NE2 3.46Å
152G81.8Confident80.6Confident41 Ų4176.3 Ų76.342%0.42339%0.393SS..THydrogen-bonded Turntrans768.4-18000000115.1Q150 C166 S167Q150-G152 PolarHBondContact O-N 3.41Å; G152-C166 CarbonylContact O-C 3.59Å; G152-C166 VanDerWaalsContact O-CA 3.32Å; G152-C166 WeakPolarHBondContact O-CA 3.48Å; G152-S167 PolarHBondContact O-N 2.79Å; G152-S167 PolarHBondContact O-OG 2.94Å
153C85.3Confident81.2Confident8 Ų874.2 Ų74.25%0.05438%0.382CS..EExtended strand (participates in β ladder)trans-119.4132.1175.3-720000112.6Q150 D151 K165 C166Q150-C153 PolarHBondContact O-N 2.94Å; D151-C153 VanDerWaalsContact C-N 3.28Å; D151-C153 PolarHBondContact O-N 3.09Å; C153-K165 CarbonylContact C-O 3.6Å; C153-K165 VanDerWaalsContact CA-O 3.32Å; C153-K165 WeakPolarHBondContact CA-O 3.47Å; C153-C166 HydrophobicContact CB-CB 4.24Å; C153-C166 WeakPolarHBondContact CB-SG 3.49Å; C153-C166 WeakPolarHBondContact SG-CB 3.38Å; C153-C166 CovalentContact SG-SG 2.05Å; C153-C166 PolarHBondContact SG-SG 2.56Å
154E87.8Confident81.9Confident127 Ų12768.9 Ų68.959%0.59335%0.35SS*.EExtended strand (participates in β ladder)trans-112.8145.8174-65.6176.1-179.500110.5C164 K165E154-C164 WeakPolarHBondContact O-CA 3.37Å; E154-K165 HydrophobicContact CB-CB 4.32Å; E154-K165 PolarHBondContact N-O 2.92Å; E154-K165 PolarHBondContact O-N 3.45Å
155T87.6Confident82.7Confident35 Ų3563.9 Ų63.922%0.21533%0.328CS..EExtended strand (participates in β ladder)trans-117.2123.6-179-52.40000110.1C137 I157 V162C137-T155 WeakPolarHBondContact CB-OG1 3.42Å; C137-T155 PolarHBondContact N-OG1 3.18Å; C137-T155 PolarHBondContact SG-OG1 3.29Å; T155-I157 HydrophobicContact CG2-CG1 4.05Å; T155-V162 HydrophobicContact CG2-CG1 3.73Å
156E86.3Confident83.7Confident87 Ų8759 Ų5941%0.40730%0.302SS..EExtended strand (participates in β ladder)trans-116.1126.6171.5-69.1175.9171.400109T163 K165E156-T163 PolarHBondContact N-O 2.94Å; E156-T163 PolarHBondContact O-N 3.03Å; E156-K165 WeakPolarHBondContact OE1-CE 3.41Å; E156-K165 IonicContact OE1-NZ 3.26Å; E156-K165 PolarHBondContact OE1-NZ 3.33Å; E156-K165 WeakPolarHBondContact OE2-CE 3.08Å; E156-K165 IonicContact OE2-NZ 3.61Å; E156-K165 PolarHBondContact OE2-NZ 3.25Å
157I82.8Confident84.2Confident76 Ų7655 Ų5539%0.3929%0.288SS..EExtended strand (participates in β ladder)trans-112.9124.5-177.7-54.8173.2000108.7L135 T155 V162L135-I157 HydrophobicContact CB-CD1 4.09Å; T155-I157 HydrophobicContact CG2-CG1 4.05Å; I157-V162 HydrophobicContact CG1-CG2 4.49Å
158D80.9Confident84.6Confident103 Ų10355 Ų5555%0.55129%0.285SS*.EExtended strand (participates in β ladder)trans-128.5104.8171.4-175.622.7000109.3D160 Q161D158-D160 PolarHBondContact O-N 3.17Å; D158-D160 VanDerWaalsContact O-N 3.12Å; D158-Q161 PolarHBondContact N-O 3.41Å; D158-Q161 WeakPolarHBondContact O-CA 3.47Å; D158-Q161 WeakPolarHBondContact O-CB 3.24Å; D158-Q161 PolarHBondContact O-N 2.87Å
159Q80.4Confident84.8Confident169 Ų16955.2 Ų55.279%0.7929%0.289SS*.THydrogen-bonded Turntrans52.9-113.3-176.1-56.4178.8-3.900112.6Q161Q159-Q161 VanDerWaalsContact C-N 3.34Å
160D76.1Confident85Confident82 Ų8254.6 Ų54.644%0.43929%0.29SS..THydrogen-bonded Turntrans-92.79.8178.3-68.1-21.3000112.9R124 V125 D158R124-D160 CarbonylContact C-O 3.6Å; R124-D160 VanDerWaalsContact CA-O 3.26Å; R124-D160 WeakPolarHBondContact CA-O 3.07Å; V125-D160 PolarHBondContact N-O 3.38Å; V125-D160 CarbonylContact O-C 3.36Å; D158-D160 PolarHBondContact O-N 3.17Å; D158-D160 VanDerWaalsContact O-N 3.12Å
161Q82.6Confident85.1Confident59 Ų5951 Ų5128%0.27627%0.273SS..EExtended strand (participates in β ladder)trans-115.7118.1-175-168.4170.765.400110.5I122 F123 D158 Q159I122-Q161 HydrophobicContact CG2-CG 3.36Å; F123-Q161 CarbonylContact O-C 3.57Å; F123-Q161 WeakPolarHBondContact O-CA 3.45Å; D158-Q161 PolarHBondContact N-O 3.41Å; D158-Q161 WeakPolarHBondContact O-CA 3.47Å; D158-Q161 WeakPolarHBondContact O-CB 3.24Å; D158-Q161 PolarHBondContact O-N 2.87Å; Q159-Q161 VanDerWaalsContact C-N 3.34Å
162V85.6Confident85.3Confident1 Ų145.9 Ų45.91%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-104114.5175.1-176.40000108.4F123 V125 L135 T155 I157 V174F123-V162 HydrophobicContact CB-CB 4.48Å; F123-V162 PolarHBondContact N-O 3.34Å; F123-V162 PolarHBondContact O-N 3.21Å; V125-V162 HydrophobicContact CB-CG2 4.37Å; V125-V162 HydrophobicContact CG2-CG2 4.44Å; L135-V162 HydrophobicContact CB-CG2 4.25Å; L135-V162 HydrophobicContact CD1-CG2 3.79Å; T155-V162 HydrophobicContact CG2-CG1 3.73Å; I157-V162 HydrophobicContact CG1-CG2 4.49Å; V162-V174 HydrophobicContact CB-CG1 4.45Å; V162-V174 HydrophobicContact CB-CG2 4.2Å; V162-V174 HydrophobicContact CG1-CG1 4.06Å; V162-V174 HydrophobicContact CG1-CG2 3.87Å; V162-V174 HydrophobicContact CG2-CG1 4.3Å
163T88.4Confident85.4Confident12 Ų1244 Ų447%0.07423%0.225CC..EExtended strand (participates in β ladder)trans-97.1114.7175.5-64.20000109.2K120 M121 I122 E156 K165K120-T163 HydrophobicContact CD-CG2 4.2Å; K120-T163 VanDerWaalsContact CE-CG2 3.43Å; K120-T163 HydrophobicContact CG-CG2 3.79Å; M121-T163 CarbonylContact O-C 3.59Å; M121-T163 WeakPolarHBondContact O-CA 3.1Å; I122-T163 HydrophobicContact CG1-CG2 4.5Å; E156-T163 PolarHBondContact N-O 2.94Å; E156-T163 PolarHBondContact O-N 3.03Å; T163-K165 HydrophobicContact CG2-CG 4.44Å
164C88.3Confident85.3Confident1 Ų143.6 Ų43.61%0.00722%0.223CC..EExtended strand (participates in β ladder)trans-96.1129.2173.7-540000110.2K120 M121 F123 C137 E154K120-C164 CarbonylContact C-O 3.58Å; K120-C164 WeakPolarHBondContact CA-O 3.29Å; M121-C164 HydrophobicContact CB-CB 4.26Å; M121-C164 HydrophobicContact CE-CB 3.84Å; M121-C164 PolarHBondContact N-O 3.31Å; M121-C164 PolarHBondContact O-N 3.5Å; F123-C164 VanDerWaalsContact CD2-SG 3.56Å; F123-C164 HydrophobicContact CE2-CB 4.32Å; F123-C164 VanDerWaalsContact CE2-SG 3.55Å; C137-C164 HydrophobicContact CB-CB 3.54Å; C137-C164 WeakPolarHBondContact CB-SG 3.3Å; C137-C164 WeakPolarHBondContact SG-CA 3.45Å; C137-C164 WeakPolarHBondContact SG-CB 3.35Å; C137-C164 CovalentContact SG-SG 2.01Å; C137-C164 PolarHBondContact SG-SG 3.35Å; E154-C164 WeakPolarHBondContact O-CA 3.37Å
165K90.6Very high85Confident53 Ų5337.5 Ų37.523%0.2320%0.195CC..EExtended strand (participates in β ladder)trans-116.9107.8174.1-67.7177.5-176.8170.80109.5P118 I119 C153 E154 E156 T163P118-K165 HydrophobicContact CB-CB 4.33Å; P118-K165 HydrophobicContact CG-CB 3.97Å; I119-K165 CarbonylContact O-C 3.6Å; I119-K165 VanDerWaalsContact O-CA 3.28Å; I119-K165 WeakPolarHBondContact O-CA 3.44Å; C153-K165 CarbonylContact C-O 3.6Å; C153-K165 VanDerWaalsContact CA-O 3.32Å; C153-K165 WeakPolarHBondContact CA-O 3.47Å; E154-K165 HydrophobicContact CB-CB 4.32Å; E154-K165 PolarHBondContact N-O 2.92Å; E154-K165 PolarHBondContact O-N 3.45Å; E156-K165 WeakPolarHBondContact OE1-CE 3.41Å; E156-K165 IonicContact OE1-NZ 3.26Å; E156-K165 PolarHBondContact OE1-NZ 3.33Å; E156-K165 WeakPolarHBondContact OE2-CE 3.08Å; E156-K165 IonicContact OE2-NZ 3.61Å; E156-K165 PolarHBondContact OE2-NZ 3.25Å; T163-K165 HydrophobicContact CG2-CG 4.44Å
166C88.4Confident84.4Confident0 Ų037 Ų370%019%0.19CC..EExtended strand (participates in β ladder)trans-119.7137.4-176.1-65.20000112.2P118 I119 M121 G152 C153 H168 F172P118-C166 CarbonylContact C-O 3.52Å; P118-C166 WeakPolarHBondContact CA-O 3.39Å; P118-C166 VanDerWaalsContact CB-O 3.27Å; P118-C166 WeakPolarHBondContact CB-O 3.37Å; I119-C166 PolarHBondContact N-O 2.98Å; I119-C166 PolarHBondContact O-N 2.95Å; M121-C166 HydrophobicContact CE-CB 4.15Å; G152-C166 CarbonylContact O-C 3.59Å; G152-C166 VanDerWaalsContact O-CA 3.32Å; G152-C166 WeakPolarHBondContact O-CA 3.48Å; C153-C166 HydrophobicContact CB-CB 4.24Å; C153-C166 WeakPolarHBondContact CB-SG 3.49Å; C153-C166 WeakPolarHBondContact SG-CB 3.38Å; C153-C166 CovalentContact SG-SG 2.05Å; C153-C166 PolarHBondContact SG-SG 2.56Å; C166-H168 VanDerWaalsContact C-N 3.27Å; C166-H168 PolarHBondContact O-N 3.44Å; C166-F172 HydrophobicContact CB-CD1 4.42Å; C166-F172 HydrophobicContact CB-CE1 3.64Å; C166-F172 HydrophobicContact CB-CZ 3.77Å; C166-F172 WeakPolarHBondContact SG-CE1 2.99Å
167S88.9Confident83.6Confident29 Ų2934.4 Ų34.420%0.20318%0.179CC..SBendtrans-84.95.2-178.365.70000114Q113 N114 L115 G152Q113-S167 CarbonylContact C-O 3.54Å; N114-S167 PolarHBondContact N-O 2.91Å; L115-S167 WeakPolarHBondContact CB-O 3.27Å; L115-S167 WeakPolarHBondContact CG-O 3.5Å; L115-S167 PolarHBondContact N-O 3.29Å; G152-S167 PolarHBondContact O-N 2.79Å; G152-S167 PolarHBondContact O-OG 2.94Å
168H87.4Confident82.4Confident22 Ų2240.4 Ų40.410%0.10220%0.197CC..SBendtrans-143168.3-178.754.977.6000110.8L112 Q113 I119 Y139 D151 C166 T170 F172L112-H168 CarbonylContact O-C 3.48Å; L112-H168 WeakPolarHBondContact O-CA 3.29Å; Q113-H168 HydrophobicContact CG-CB 4.35Å; I119-H168 WeakPolarHBondContact CD1-O 3.48Å; Y139-H168 AromaticContact CD1-CE1 3.56Å; Y139-H168 AromaticContact CD1-NE2 3.71Å; Y139-H168 AromaticContact CD2-CE1 3.99Å; Y139-H168 AromaticContact CE1-NE2 3.87Å; Y139-H168 AromaticContact CG-CE1 3.53Å; D151-H168 PolarHBondContact O-NE2 3.46Å; C166-H168 VanDerWaalsContact C-N 3.27Å; C166-H168 PolarHBondContact O-N 3.44Å; H168-T170 PolarHBondContact CE1-OG1 2.91Å; H168-T170 WeakPolarHBondContact ND1-CG2 3.39Å; H168-T170 PolarHBondContact ND1-OG1 3.43Å; H168-F172 AromaticContact CE1-CE1 3.72Å; H168-F172 AromaticContact ND1-CE1 3.92Å; H168-F172 AromaticContact ND1-CZ 3.77Å; H168-F172 WeakPolarHBondContact O-CZ 3.32Å
169A84.8Confident81.2Confident19 Ų1939.8 Ų39.816%0.15719%0.192CC..  trans-108.7102.4173.400000110I104 L112 I119I104-A169 HydrophobicContact CB-CB 4.19Å; I104-A169 HydrophobicContact CG2-CB 4.27Å; L112-A169 HydrophobicContact CB-CB 3.54Å; L112-A169 HydrophobicContact CD1-CB 3.94Å; L112-A169 HydrophobicContact CG-CB 4.4Å; L112-A169 PolarHBondContact O-N 2.89Å; I119-A169 HydrophobicContact CD1-CB 4.16Å
170T85.2Confident80Confident34 Ų3434 Ų3421%0.20917%0.169CC..SBendtrans-135.4177.7175.951.50000108.7Y139 H168 F172Y139-T170 WeakPolarHBondContact CB-OG1 3.35Å; Y139-T170 HydrophobicContact CD2-CG2 4.25Å; H168-T170 PolarHBondContact CE1-OG1 2.91Å; H168-T170 WeakPolarHBondContact ND1-CG2 3.39Å; H168-T170 PolarHBondContact ND1-OG1 3.43Å; T170-F172 WeakPolarHBondContact O-CD2 3.36Å; T170-F172 WeakPolarHBondContact O-CE2 3.38Å; T170-F172 WeakPolarHBondContact OG1-CE1 3.24Å; T170-F172 WeakPolarHBondContact OG1-CZ 3.41Å
171P85.8Confident79.1Confident3 Ų332.8 Ų32.82%0.01916%0.162CC..  trans-68.9134.6167.8-1529.7000110.5V101 L102 R103 Y139 F140V101-P171 HydrophobicContact CG1-CB 4.26Å; L102-P171 CarbonylContact O-C 3.53Å; L102-P171 WeakPolarHBondContact O-CA 3.5Å; R103-P171 HydrophobicContact CB-CB 4.28Å; R103-P171 HydrophobicContact CB-CG 4.47Å; R103-P171 HydrophobicContact CG-CG 4.22Å; Y139-P171 CarbonylContact C-O 3.54Å; Y139-P171 WeakPolarHBondContact CA-O 3.3Å; Y139-P171 WeakPolarHBondContact CB-O 3.42Å; F140-P171 HydrophobicContact CB-CB 4.17Å; F140-P171 PolarHBondContact N-O 2.9Å
172F86.4Confident78Confident3 Ų334 Ų341%0.01317%0.17CC..EExtended strand (participates in β ladder)trans-127.2149.3-175.9-58-72.1000112.1V101 L102 I104 M121 R138 C166 H168 T170V101-F172 CarbonylContact C-O 3.6Å; V101-F172 WeakPolarHBondContact CA-O 3.37Å; L102-F172 PolarHBondContact N-O 3.28Å; L102-F172 PolarHBondContact O-N 3.4Å; I104-F172 HydrophobicContact CD1-CE2 4.35Å; M121-F172 HydrophobicContact CE-CB 4.07Å; M121-F172 HydrophobicContact CE-CD1 4.03Å; M121-F172 HydrophobicContact CE-CD2 3.56Å; M121-F172 HydrophobicContact CE-CE1 4.4Å; M121-F172 HydrophobicContact CE-CE2 3.95Å; M121-F172 HydrophobicContact CE-CG 3.61Å; M121-F172 HydrophobicContact CE-CZ 4.38Å; M121-F172 HydrophobicContact SD-CB 4.15Å; M121-F172 HydrophobicContact SD-CD2 3.45Å; M121-F172 WeakPolarHBondContact SD-CD2 3.36Å; M121-F172 HydrophobicContact SD-CE2 4.07Å; M121-F172 HydrophobicContact SD-CG 3.94Å; R138-F172 WeakPolarHBondContact O-CA 3.48Å; C166-F172 HydrophobicContact CB-CD1 4.42Å; C166-F172 HydrophobicContact CB-CE1 3.64Å; C166-F172 HydrophobicContact CB-CZ 3.77Å; C166-F172 WeakPolarHBondContact SG-CE1 2.99Å; H168-F172 AromaticContact CE1-CE1 3.72Å; H168-F172 AromaticContact ND1-CE1 3.92Å; H168-F172 AromaticContact ND1-CZ 3.77Å; H168-F172 WeakPolarHBondContact O-CZ 3.32Å; T170-F172 WeakPolarHBondContact O-CD2 3.36Å; T170-F172 WeakPolarHBondContact O-CE2 3.38Å; T170-F172 WeakPolarHBondContact OG1-CE1 3.24Å; T170-F172 WeakPolarHBondContact OG1-CZ 3.41Å
173A83.8Confident76.8Confident0 Ų037.2 Ų37.20%019%0.185CC..EExtended strand (participates in β ladder)trans-151.9162.7165.900000111.4I97 V101 R138 W148 L175I97-A173 HydrophobicContact CG2-CB 4.08Å; V101-A173 HydrophobicContact CG2-CB 4.16Å; R138-A173 PolarHBondContact N-O 3.49Å; R138-A173 PolarHBondContact O-N 3.41Å; W148-A173 HydrophobicContact CH2-CB 3.5Å; W148-A173 HydrophobicContact CZ2-CB 4.28Å; W148-A173 HydrophobicContact CZ3-CB 3.87Å; A173-L175 HydrophobicContact CB-CD1 3.68Å
174V83.6Confident75.7Confident0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-92.2119.9167.6-176.80000108.1C98 S99 F123 V125 L135 V162C98-V174 PolarHBondContact N-O 2.71Å; S99-V174 PolarHBondContact N-O 2.99Å; S99-V174 PolarHBondContact OG-N 3.05Å; F123-V174 HydrophobicContact CB-CG2 3.78Å; F123-V174 HydrophobicContact CD1-CG2 4.37Å; F123-V174 HydrophobicContact CD2-CG2 3.59Å; F123-V174 HydrophobicContact CE2-CG2 4.26Å; F123-V174 HydrophobicContact CG-CG2 3.65Å; V125-V174 HydrophobicContact CG2-CB 4.29Å; V125-V174 HydrophobicContact CG2-CG1 4.31Å; V125-V174 HydrophobicContact CG2-CG2 4.45Å; L135-V174 HydrophobicContact CB-CG1 3.88Å; L135-V174 HydrophobicContact CD2-CG1 3.89Å; L135-V174 HydrophobicContact CG-CG1 4.39Å; V162-V174 HydrophobicContact CB-CG1 4.45Å; V162-V174 HydrophobicContact CB-CG2 4.2Å; V162-V174 HydrophobicContact CG1-CG1 4.06Å; V162-V174 HydrophobicContact CG1-CG2 3.87Å; V162-V174 HydrophobicContact CG2-CG1 4.3Å
175L81.8Confident74.8Confident0 Ų042.8 Ų42.80%022%0.221CC..EExtended strand (participates in β ladder)trans-107.2144.2178.9-8260.4000109.8E95 E96 I97 L135 L136 R138 W148 A173 I177E95-L175 HydrophobicContact CB-CD2 3.77Å; E95-L175 HydrophobicContact CB-CG 4.45Å; E95-L175 HydrophobicContact CG-CD2 4.43Å; E95-L175 WeakPolarHBondContact OE2-CD2 3.35Å; E96-L175 CarbonylContact O-C 3.51Å; E96-L175 WeakPolarHBondContact O-CA 3.37Å; I97-L175 HydrophobicContact CG1-CD1 4.11Å; I97-L175 HydrophobicContact CG1-CG 4.21Å; L135-L175 CarbonylContact C-O 3.48Å; L135-L175 WeakPolarHBondContact CA-O 3.37Å; L136-L175 PolarHBondContact N-O 3.29Å; L136-L175 PolarHBondContact O-N 2.87Å; R138-L175 HydrophobicContact CB-CD2 4.4Å; W148-L175 HydrophobicContact CB-CD2 4.01Å; W148-L175 HydrophobicContact CD2-CD1 4.25Å; W148-L175 HydrophobicContact CD2-CD2 3.93Å; W148-L175 HydrophobicContact CE3-CD1 4.2Å; W148-L175 HydrophobicContact CE3-CD2 4.44Å; W148-L175 HydrophobicContact CG-CD2 3.73Å; W148-L175 HydrophobicContact CH2-CD1 4.46Å; W148-L175 HydrophobicContact CZ2-CD1 4.47Å; W148-L175 HydrophobicContact CZ3-CD1 4.32Å; A173-L175 HydrophobicContact CB-CD1 3.68Å; L175-I177 HydrophobicContact CB-CD1 4.48Å; L175-I177 HydrophobicContact CB-CG1 4.35Å
176L75.1Confident73.7Confident24 Ų2442.4 Ų42.413%0.12622%0.218CC..EExtended strand (participates in β ladder)trans-92112.8168.1-172.677.2000108.6E96 C98 P128 L135E96-L176 HydrophobicContact CB-CB 4.38Å; E96-L176 PolarHBondContact O-N 3.07Å; C98-L176 WeakPolarHBondContact SG-CB 3.14Å; P128-L176 HydrophobicContact CG-CD1 3.88Å; P128-L176 HydrophobicContact CG-CD2 3.76Å; L135-L176 HydrophobicContact CD2-CB 4.28Å; L135-L176 HydrophobicContact CD2-CD1 3.74Å; L135-L176 HydrophobicContact CG-CD1 4.23Å
177I68.4Low72.9Confident32 Ų3247.5 Ų47.516%0.16424%0.24CC..EExtended strand (participates in β ladder)trans-110.9133.3-180-64.5166.2000107.5S133 Q134 L136 R138 L175 M179S133-I177 CarbonylContact C-O 3.52Å; S133-I177 VanDerWaalsContact CA-O 3.24Å; S133-I177 WeakPolarHBondContact CA-O 3.47Å; Q134-I177 PolarHBondContact N-O 3.27Å; Q134-I177 PolarHBondContact O-N 3.47Å; L136-I177 HydrophobicContact CB-CD1 4.07Å; L136-I177 HydrophobicContact CD1-CB 4.48Å; L136-I177 HydrophobicContact CD1-CD1 3.73Å; L136-I177 HydrophobicContact CG-CD1 4.45Å; R138-I177 VanDerWaalsContact NH2-CD1 3.33Å; L175-I177 HydrophobicContact CB-CD1 4.48Å; L175-I177 HydrophobicContact CB-CG1 4.35Å; I177-M179 PolarHBondContact O-N 3.46Å
178R58.2Low72.4Confident202 Ų20250.4 Ų50.476%0.76225%0.253SS*.EExtended strand (participates in β ladder)trans-65.1122.3173.6-70.6-176.3-178.9171.51.5108.4D132 P180D132-R178 CarbonylContact O-C 3.55Å; D132-R178 WeakPolarHBondContact O-CA 3.31Å; R178-P180 WeakPolarHBondContact O-CD 3.33Å
179M56.2Low71.7Confident91 Ų9150.8 Ų50.845%0.44826%0.255SS..PPolyproline II helixtrans-58.6124174.2-69.8-106.4-70.600107.8D132 Q134 I177D132-M179 PolarHBondContact O-N 2.89Å; Q134-M179 HydrophobicContact CB-CG 3.99Å; Q134-M179 HydrophobicContact CB-SD 3.82Å; I177-M179 PolarHBondContact O-N 3.46Å
180P54.8Low71.4Confident48 Ų4851.2 Ų51.231%0.31226%0.257SS..PPolyproline II helixtrans-62.9151.6171.3-9.821.4000110R178 D182 S332R178-P180 WeakPolarHBondContact O-CD 3.33Å; P180-D182 PolarHBondContact O-N 3.35Å; P180-S332 WeakPolarHBondContact CB-OG 3.19Å; P180-S332 WeakPolarHBondContact CD-OG 3.16Å; P180-S332 WeakPolarHBondContact CG-OG 3.22Å
181I56.3Low71.3Confident56 Ų5656.3 Ų56.329%0.28727%0.274SS..PPolyproline II helixtrans-61.7135.9-178.8-67.7167.4000109.7E183 H185 W186 V419 Y421I181-E183 PolarHBondContact O-N 3.2Å; I181-H185 HydrophobicContact CG2-CB 4.12Å; I181-W186 HydrophobicContact CG2-CB 3.99Å; I181-V419 HydrophobicContact CG1-CG1 4.48Å; I181-Y421 HydrophobicContact CG2-CE1 3.79Å
182D59.7Low71.2Confident83 Ų8358.3 Ų58.344%0.44428%0.284SS..PPolyproline II helixtrans-51.9135.3175.9179.838000111.6P180 A184 H185 W186P180-D182 PolarHBondContact O-N 3.35Å; D182-A184 VanDerWaalsContact C-N 3.27Å; D182-A184 PolarHBondContact O-N 3.11Å; D182-H185 PolarHBondContact O-N 3.45Å; D182-H185 IonicContact OD2-CD2 2.67Å; D182-H185 PolarHBondContact OD2-CD2 3.17Å; D182-W186 PolarHBondContact O-N 3.45Å
183E61.2Low71.1Confident70 Ų7059.1 Ų59.133%0.32729%0.29SS..Hα-helixtrans-57.1-42-169.2-171.3-165.415500111.5I181 H185 W186 K187 T334I181-E183 PolarHBondContact O-N 3.2Å; E183-H185 VanDerWaalsContact C-N 3.35Å; E183-H185 PolarHBondContact O-N 3.4Å; E183-W186 PolarHBondContact O-N 2.87Å; E183-K187 VanDerWaalsContact O-CB 3.3Å; E183-K187 WeakPolarHBondContact O-CB 3.45Å; E183-K187 PolarHBondContact O-N 2.9Å; E183-T334 WeakPolarHBondContact OE2-CG2 3.36Å
184A65.7Low71.2Confident65 Ų6561.9 Ų61.954%0.53730%0.301SS..Hα-helixtrans-62.8-42.7-179.700000111.8D182 L188D182-A184 VanDerWaalsContact C-N 3.27Å; D182-A184 PolarHBondContact O-N 3.11Å; A184-L188 WeakPolarHBondContact O-CB 3.35Å; A184-L188 PolarHBondContact O-N 2.9Å; A184-L188 VanDerWaalsContact O-N 3.1Å
185H67.8Low71.4Confident64 Ų6467 Ų6730%0.29633%0.327SS..Hα-helixtrans-68.8-41.4178.4-80.3-79.8000111.9I181 D182 E183 L189 Y421 Y425I181-H185 HydrophobicContact CG2-CB 4.12Å; D182-H185 PolarHBondContact O-N 3.45Å; D182-H185 IonicContact OD2-CD2 2.67Å; D182-H185 PolarHBondContact OD2-CD2 3.17Å; E183-H185 VanDerWaalsContact C-N 3.35Å; E183-H185 PolarHBondContact O-N 3.4Å; H185-L189 VanDerWaalsContact O-CB 3.29Å; H185-L189 WeakPolarHBondContact O-CB 3.5Å; H185-L189 PolarHBondContact O-N 3.47Å; H185-Y421 HydrophobicContact CB-CD1 3.95Å; H185-Y421 HydrophobicContact CB-CE1 3.77Å; H185-Y421 AromaticContact CG-CD1 3.91Å; H185-Y421 AromaticContact CG-CE1 3.95Å; H185-Y421 AromaticContact ND1-CD1 3.78Å; H185-Y421 AromaticContact ND1-CG 3.72Å; H185-Y425 AromaticContact ND1-CE2 3.95Å; H185-Y425 AromaticContact ND1-CZ 3.9Å; H185-Y425 PolarHBondContact ND1-OH 2.01Å
186W67.4Low71.7Confident46 Ų4667.2 Ų67.217%0.17433%0.329CS..Hα-helixtrans-65.5-46.8177.8-170.290.4000112I181 D182 E183 L188 L189 S190 M331 N338I181-W186 HydrophobicContact CG2-CB 3.99Å; D182-W186 PolarHBondContact O-N 3.45Å; E183-W186 PolarHBondContact O-N 2.87Å; W186-L188 VanDerWaalsContact C-N 3.3Å; W186-L188 PolarHBondContact O-N 3.47Å; W186-L189 PolarHBondContact O-N 2.92Å; W186-S190 WeakPolarHBondContact O-CB 3.27Å; W186-S190 PolarHBondContact O-N 3.49Å; W186-M331 HydrophobicContact CB-CE 4.41Å; W186-M331 HydrophobicContact CD2-CE 3.11Å; W186-M331 HydrophobicContact CD2-SD 3.94Å; W186-M331 HydrophobicContact CE3-CE 3.35Å; W186-M331 HydrophobicContact CE3-SD 3.71Å; W186-M331 HydrophobicContact CG-CE 3.6Å; W186-M331 HydrophobicContact CG-SD 4.31Å; W186-M331 HydrophobicContact CH2-CE 3.88Å; W186-M331 HydrophobicContact CZ2-CE 3.63Å; W186-M331 HydrophobicContact CZ3-CE 3.73Å; W186-M331 HydrophobicContact CZ3-SD 4.21Å; W186-N338 HydrophobicContact CH2-CB 4.05Å; W186-N338 WeakPolarHBondContact CH2-ND2 3.13Å; W186-N338 VanDerWaalsContact CZ3-ND2 3.25Å; W186-N338 WeakPolarHBondContact CZ3-ND2 3.45Å
187K72.6Confident72.3Confident106 Ų10666.6 Ų66.646%0.46133%0.327SS..Hα-helixtrans-60.7-42.2179.4-157.4172.2-160.8157.70111E183 S190 Y191E183-K187 VanDerWaalsContact O-CB 3.3Å; E183-K187 WeakPolarHBondContact O-CB 3.45Å; E183-K187 PolarHBondContact O-N 2.9Å; K187-S190 PolarHBondContact O-N 3.35Å; K187-Y191 HydrophobicContact CG-CD2 4.35Å; K187-Y191 HydrophobicContact CG-CE2 3.97Å; K187-Y191 WeakPolarHBondContact O-CD2 3.34Å; K187-Y191 PolarHBondContact O-N 2.92Å
188L78.5Confident73.5Confident90 Ų9066.4 Ų66.447%0.47133%0.333SS..Hα-helixtrans-65.6-43.5175.5-171.660.3000112A184 W186 S190 Y191 I192 Y425A184-L188 WeakPolarHBondContact O-CB 3.35Å; A184-L188 PolarHBondContact O-N 2.9Å; A184-L188 VanDerWaalsContact O-N 3.1Å; W186-L188 VanDerWaalsContact C-N 3.3Å; W186-L188 PolarHBondContact O-N 3.47Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S190 PolarHBondContact O-N 2.89Å; L188-Y191 PolarHBondContact O-N 2.92Å; L188-I192 HydrophobicContact CD1-CD1 4.36Å; L188-I192 HydrophobicContact CG-CD1 3.98Å; L188-I192 VanDerWaalsContact O-CG1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.41Å; L188-I192 PolarHBondContact O-N 3.16Å; L188-Y425 HydrophobicContact CB-CE1 4.44Å; L188-Y425 HydrophobicContact CD2-CE1 4.11Å; L188-Y425 WeakPolarHBondContact CD2-OH 3.43Å; L188-Y425 HydrophobicContact CG-CE1 4.08Å
189L73.4Confident75.1Confident30 Ų3060.5 Ų60.516%0.15732%0.316CS..Hα-helixtrans-64.6-37.9178.4-166.466.4000111.6H185 W186 I192 S193 L424 Y425 C428H185-L189 VanDerWaalsContact O-CB 3.29Å; H185-L189 WeakPolarHBondContact O-CB 3.5Å; H185-L189 PolarHBondContact O-N 3.47Å; W186-L189 PolarHBondContact O-N 2.92Å; L189-I192 PolarHBondContact O-N 3.38Å; L189-S193 WeakPolarHBondContact O-CB 3.43Å; L189-S193 PolarHBondContact O-N 2.91Å; L189-S193 PolarHBondContact O-OG 3.46Å; L189-L424 HydrophobicContact CD1-CB 4.24Å; L189-L424 HydrophobicContact CD2-CB 4.25Å; L189-L424 HydrophobicContact CD2-CD1 4.32Å; L189-Y425 HydrophobicContact CB-CE1 4.3Å; L189-Y425 HydrophobicContact CD1-CD1 3.71Å; L189-Y425 HydrophobicContact CD1-CE1 3.93Å; L189-C428 HydrophobicContact CD1-CB 4.4Å
190S77.6Confident76.8Confident28 Ų2856.2 Ų56.220%0.19630%0.295CS..Hα-helixtrans-61.3-52.1173.5179.70000110.9W186 K187 L188 I192 S193 Y194W186-S190 WeakPolarHBondContact O-CB 3.27Å; W186-S190 PolarHBondContact O-N 3.49Å; K187-S190 PolarHBondContact O-N 3.35Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S190 PolarHBondContact O-N 2.89Å; S190-I192 VanDerWaalsContact C-N 3.33Å; S190-I192 PolarHBondContact O-N 2.87Å; S190-S193 PolarHBondContact O-N 3.41Å; S190-Y194 WeakPolarHBondContact O-CD2 3.45Å; S190-Y194 PolarHBondContact O-N 2.92Å
191Y83.1Confident78.6Confident141 Ų14155.6 Ų55.655%0.55329%0.289SS*.Hα-helixtrans-55.8-45.8176.2-81.8-60.7000113K187 L188 S193 Y194 I195K187-Y191 HydrophobicContact CG-CD2 4.35Å; K187-Y191 HydrophobicContact CG-CE2 3.97Å; K187-Y191 WeakPolarHBondContact O-CD2 3.34Å; K187-Y191 PolarHBondContact O-N 2.92Å; L188-Y191 PolarHBondContact O-N 2.92Å; Y191-S193 VanDerWaalsContact C-N 3.29Å; Y191-S193 PolarHBondContact O-N 2.93Å; Y191-Y194 PolarHBondContact O-N 3.37Å; Y191-I195 WeakPolarHBondContact O-CB 3.38Å; Y191-I195 VanDerWaalsContact O-CG1 3.3Å; Y191-I195 WeakPolarHBondContact O-CG1 3.43Å; Y191-I195 PolarHBondContact O-N 3.35Å
192I84Confident80.5Confident46 Ų4659.3 Ų59.324%0.23630%0.303CS..Hα-helixtrans-61.6-41.6178.1-68.8167.4000110.4L188 L189 S190 G196 Y425 C428 I429L188-I192 HydrophobicContact CD1-CD1 4.36Å; L188-I192 HydrophobicContact CG-CD1 3.98Å; L188-I192 VanDerWaalsContact O-CG1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.41Å; L188-I192 PolarHBondContact O-N 3.16Å; L189-I192 PolarHBondContact O-N 3.38Å; S190-I192 VanDerWaalsContact C-N 3.33Å; S190-I192 PolarHBondContact O-N 2.87Å; I192-G196 WeakPolarHBondContact O-CA 3.18Å; I192-G196 PolarHBondContact O-N 3.34Å; I192-Y425 HydrophobicContact CD1-CD1 3.53Å; I192-Y425 HydrophobicContact CD1-CE1 3.72Å; I192-C428 HydrophobicContact CG2-CB 3.84Å; I192-I429 HydrophobicContact CG2-CG1 4.35Å
193S82.9Confident82.1Confident19 Ų1957.3 Ų57.313%0.13329%0.29CS..Hα-helixtrans-69.3-44-179-56.40000111.7L189 S190 Y191 G196 C197 C428L189-S193 WeakPolarHBondContact O-CB 3.43Å; L189-S193 PolarHBondContact O-N 2.91Å; L189-S193 PolarHBondContact O-OG 3.46Å; S190-S193 PolarHBondContact O-N 3.41Å; Y191-S193 VanDerWaalsContact C-N 3.29Å; Y191-S193 PolarHBondContact O-N 2.93Å; S193-G196 PolarHBondContact O-N 3.22Å; S193-C197 WeakPolarHBondContact O-CB 3.25Å; S193-C197 PolarHBondContact O-N 3.06Å; S193-C197 PolarHBondContact O-SG 2.89Å; S193-C428 PolarHBondContact OG-SG 3.47Å; S193-C428 VanDerWaalsContact OG-SG 3.37Å
194Y85.9Confident83.5Confident58 Ų5854 Ų5423%0.22728%0.275CS..Hα-helixtrans-63.2-51.6177-91.2-81000112.9S190 Y191 G196 G198 L241 E244S190-Y194 WeakPolarHBondContact O-CD2 3.45Å; S190-Y194 PolarHBondContact O-N 2.92Å; Y191-Y194 PolarHBondContact O-N 3.37Å; Y194-G196 VanDerWaalsContact C-N 3.28Å; Y194-G196 PolarHBondContact O-N 3.36Å; Y194-G198 PolarHBondContact O-N 3.36Å; Y194-L241 HydrophobicContact CD1-CD2 3.33Å; Y194-L241 HydrophobicContact CE1-CD2 3.7Å; Y194-L241 HydrophobicContact CG-CD2 4.29Å; Y194-E244 WeakPolarHBondContact CE2-OE1 3.34Å; Y194-E244 WeakPolarHBondContact OH-CG 3.34Å; Y194-E244 PolarHBondContact OH-OE1 3.37Å; Y194-E244 PolarHBondContact OH-OE2 3Å
195I89.5Confident84.9Confident107 Ų10752.8 Ų52.855%0.54927%0.265SS..Hα-helixtrans-61.9-43.8178.1-66.2170000109.5Y191 G198 I199Y191-I195 WeakPolarHBondContact O-CB 3.38Å; Y191-I195 VanDerWaalsContact O-CG1 3.3Å; Y191-I195 WeakPolarHBondContact O-CG1 3.43Å; Y191-I195 PolarHBondContact O-N 3.35Å; I195-G198 PolarHBondContact O-N 3.2Å; I195-I199 HydrophobicContact CG2-CD1 3.84Å; I195-I199 VanDerWaalsContact O-CG1 3.31Å; I195-I199 WeakPolarHBondContact O-CG1 3.29Å; I195-I199 PolarHBondContact O-N 2.81Å
196G87.1Confident86Confident5 Ų551 Ų515%0.05226%0.26CS..Hα-helixtrans-60.2-50.4179.100000114.1I192 S193 Y194 G198 I199 S200 S432I192-G196 WeakPolarHBondContact O-CA 3.18Å; I192-G196 PolarHBondContact O-N 3.34Å; S193-G196 PolarHBondContact O-N 3.22Å; Y194-G196 VanDerWaalsContact C-N 3.28Å; Y194-G196 PolarHBondContact O-N 3.36Å; G196-G198 VanDerWaalsContact C-N 3.33Å; G196-G198 PolarHBondContact O-N 2.59Å; G196-I199 PolarHBondContact O-N 2.7Å; G196-S200 WeakPolarHBondContact O-CB 3.21Å; G196-S200 PolarHBondContact O-N 3.31Å; G196-S432 VanDerWaalsContact CA-CB 3.45Å; G196-S432 WeakPolarHBondContact CA-OG 3.04Å
197C88.7Confident87.1Confident11 Ų1148.9 Ų48.97%0.07425%0.252CS..Hα-helixtrans-62.1-39.8174.9-76.30000111.8S193 S200 L201 N237 F240 L241S193-C197 WeakPolarHBondContact O-CB 3.25Å; S193-C197 PolarHBondContact O-N 3.06Å; S193-C197 PolarHBondContact O-SG 2.89Å; C197-S200 PolarHBondContact O-N 3.05Å; C197-L201 WeakPolarHBondContact O-CB 3.43Å; C197-L201 PolarHBondContact O-N 3.27Å; C197-N237 WeakPolarHBondContact CA-OD1 3.41Å; C197-N237 HydrophobicContact CB-CB 4.39Å; C197-N237 WeakPolarHBondContact CB-OD1 3.2Å; C197-N237 PolarHBondContact SG-OD1 3.22Å; C197-F240 HydrophobicContact CB-CD1 4.01Å; C197-F240 HydrophobicContact CB-CE1 4.49Å; C197-F240 WeakPolarHBondContact SG-CD1 3.46Å; C197-L241 HydrophobicContact CB-CD2 4.1Å; C197-L241 HydrophobicContact CB-CG 4.26Å
198G92.1Very high88Confident29 Ų2946 Ų4630%0.29924%0.241SC..Hα-helixtrans-60.8-44.9174.800000113Y194 I195 G196 L201 F202Y194-G198 PolarHBondContact O-N 3.36Å; I195-G198 PolarHBondContact O-N 3.2Å; G196-G198 VanDerWaalsContact C-N 3.33Å; G196-G198 PolarHBondContact O-N 2.59Å; G198-L201 PolarHBondContact O-N 3.19Å; G198-F202 PolarHBondContact O-N 3.2Å
199I91.5Very high88.6Confident78 Ų7843.7 Ų43.740%0.424%0.235SC..Hα-helixtrans-64.4-46.4176-68.2167.5000110.8I195 G196 L201 F202 F203I195-I199 HydrophobicContact CG2-CD1 3.84Å; I195-I199 VanDerWaalsContact O-CG1 3.31Å; I195-I199 WeakPolarHBondContact O-CG1 3.29Å; I195-I199 PolarHBondContact O-N 2.81Å; G196-I199 PolarHBondContact O-N 2.7Å; I199-L201 VanDerWaalsContact C-N 3.3Å; I199-L201 PolarHBondContact O-N 3.28Å; I199-F202 PolarHBondContact O-N 3.45Å; I199-F203 HydrophobicContact CG2-CD2 3.72Å; I199-F203 HydrophobicContact CG2-CE2 3.56Å; I199-F203 VanDerWaalsContact O-CD2 3.26Å; I199-F203 WeakPolarHBondContact O-CD2 3.07Å; I199-F203 PolarHBondContact O-N 3.47Å; I199-F203 VanDerWaalsContact O-N 3.1Å
200S92.1Very high89.2Confident0 Ų043.9 Ų43.90%024%0.237CC..Hα-helixtrans-62.3-38.6179-166.70000111.9G196 C197 F203 S204G196-S200 WeakPolarHBondContact O-CB 3.21Å; G196-S200 PolarHBondContact O-N 3.31Å; C197-S200 PolarHBondContact O-N 3.05Å; S200-F203 PolarHBondContact O-N 3.38Å; S200-S204 VanDerWaalsContact O-CB 3.31Å; S200-S204 WeakPolarHBondContact O-CB 3.38Å; S200-S204 PolarHBondContact O-N 2.9Å; S200-S204 PolarHBondContact O-OG 3.45Å
201L93.9Very high89.5Confident36 Ų3645 Ų4519%0.18824%0.237CC..Hα-helixtrans-61.5-47.3174.6-177.767000111.6C197 G198 I199 F203 S204 A205 F234 N237 S238 L241C197-L201 WeakPolarHBondContact O-CB 3.43Å; C197-L201 PolarHBondContact O-N 3.27Å; G198-L201 PolarHBondContact O-N 3.19Å; I199-L201 VanDerWaalsContact C-N 3.3Å; I199-L201 PolarHBondContact O-N 3.28Å; L201-F203 PolarHBondContact O-N 2.87Å; L201-S204 PolarHBondContact O-N 3.42Å; L201-A205 WeakPolarHBondContact O-CB 3.19Å; L201-A205 PolarHBondContact O-N 3.32Å; L201-F234 HydrophobicContact CD1-CD2 3.31Å; L201-F234 HydrophobicContact CD1-CE2 3.45Å; L201-F234 VanDerWaalsContact CD1-CE2 3.45Å; L201-F234 HydrophobicContact CD1-CG 3.94Å; L201-F234 HydrophobicContact CD1-CZ 4.19Å; L201-F234 WeakPolarHBondContact CD1-O 3.37Å; L201-F234 HydrophobicContact CG-CD2 4.31Å; L201-F234 HydrophobicContact CG-CE2 4.23Å; L201-N237 HydrophobicContact CB-CB 4.15Å; L201-N237 HydrophobicContact CD1-CB 4.3Å; L201-S238 WeakPolarHBondContact CD1-OG 3.4Å; L201-L241 HydrophobicContact CD2-CD1 4.04Å
202F94.9Very high89.6Confident133 Ų13342.8 Ų42.858%0.58324%0.238SC*.Hα-helixtrans-59.5-46.3178.2174.6-97.4000112.5G198 I199 A205 S206G198-F202 PolarHBondContact O-N 3.2Å; I199-F202 PolarHBondContact O-N 3.45Å; F202-A205 PolarHBondContact O-N 2.86Å; F202-S206 WeakPolarHBondContact O-CB 3.28Å; F202-S206 PolarHBondContact O-N 3.28Å; F202-S206 PolarHBondContact O-OG 2.9Å
203F93.1Very high89.6Confident42 Ų4248.9 Ų48.918%0.18426%0.264CS..Hα-helixtrans-69.2-36.1178.1-75-62.5000112.5I199 S200 L201 S206 S207 F436 F439I199-F203 HydrophobicContact CG2-CD2 3.72Å; I199-F203 HydrophobicContact CG2-CE2 3.56Å; I199-F203 VanDerWaalsContact O-CD2 3.26Å; I199-F203 WeakPolarHBondContact O-CD2 3.07Å; I199-F203 PolarHBondContact O-N 3.47Å; I199-F203 VanDerWaalsContact O-N 3.1Å; S200-F203 PolarHBondContact O-N 3.38Å; L201-F203 PolarHBondContact O-N 2.87Å; F203-S206 PolarHBondContact O-N 2.98Å; F203-S207 PolarHBondContact O-N 2.76Å; F203-S207 PolarHBondContact O-OG 2.62Å; F203-S207 VanDerWaalsContact O-OG 3.05Å; F203-F436 HydrophobicContact CD1-CD2 4.13Å; F203-F436 HydrophobicContact CD2-CB 3.77Å; F203-F436 HydrophobicContact CD2-CD2 4.13Å; F203-F436 HydrophobicContact CD2-CG 4.46Å; F203-F436 AromaticContact CE1-CD2 3.74Å; F203-F436 HydrophobicContact CE1-CD2 3.74Å; F203-F436 HydrophobicContact CE1-CE2 4.33Å; F203-F436 HydrophobicContact CE2-CB 4.02Å; F203-F436 AromaticContact CE2-CD2 3.71Å; F203-F436 HydrophobicContact CE2-CD2 3.71Å; F203-F436 HydrophobicContact CE2-CG 4.29Å; F203-F436 HydrophobicContact CG-CB 4.17Å; F203-F436 HydrophobicContact CG-CD2 4.33Å; F203-F436 AromaticContact CZ-CD2 3.52Å; F203-F436 HydrophobicContact CZ-CD2 3.52Å; F203-F436 HydrophobicContact CZ-CE2 4.15Å; F203-F439 HydrophobicContact CB-CB 4.17Å; F203-F439 HydrophobicContact CD1-CB 4.2Å; F203-F439 AromaticContact CD1-CD1 3.77Å; F203-F439 HydrophobicContact CD1-CD1 3.77Å; F203-F439 HydrophobicContact CD1-CE1 4.38Å; F203-F439 HydrophobicContact CD1-CG 4.03Å; F203-F439 HydrophobicContact CE1-CD1 4.18Å
204S92Very high89.1Confident0 Ų049 Ų490%026%0.262CS..Hα-helixtrans-65.6-42.9175-60.60000111.6S200 L201 S206 S207 L208 S230S200-S204 VanDerWaalsContact O-CB 3.31Å; S200-S204 WeakPolarHBondContact O-CB 3.38Å; S200-S204 PolarHBondContact O-N 2.9Å; S200-S204 PolarHBondContact O-OG 3.45Å; L201-S204 PolarHBondContact O-N 3.42Å; S204-S206 VanDerWaalsContact C-N 3.34Å; S204-S206 PolarHBondContact O-N 2.83Å; S204-S207 WeakPolarHBondContact O-CB 3.43Å; S204-S207 PolarHBondContact O-N 2.74Å; S204-L208 WeakPolarHBondContact O-CG 3.35Å; S204-L208 PolarHBondContact O-N 3.34Å; S204-S230 WeakPolarHBondContact CA-OG 3.22Å; S204-S230 PolarHBondContact O-OG 3.11Å
205A94Very high88.2Confident39 Ų3954.9 Ų54.932%0.32228%0.284SS..Hα-helixtrans-61.2-42.9173.500000111.8L201 F202 S207 L208 A209 F234L201-A205 WeakPolarHBondContact O-CB 3.19Å; L201-A205 PolarHBondContact O-N 3.32Å; F202-A205 PolarHBondContact O-N 2.86Å; A205-S207 VanDerWaalsContact C-N 3.35Å; A205-S207 PolarHBondContact O-N 3.33Å; A205-L208 PolarHBondContact O-N 2.91Å; A205-A209 PolarHBondContact O-N 3.42Å; A205-F234 HydrophobicContact CB-CD2 4.07Å; A205-F234 HydrophobicContact CB-CE2 3.96Å
206S92.1Very high86.6Confident28 Ų2855.2 Ų55.220%0.19630%0.296CS..Hα-helixtrans-62.5-40.8176.4-61.30000111.9F202 F203 S204 A209 V210F202-S206 WeakPolarHBondContact O-CB 3.28Å; F202-S206 PolarHBondContact O-N 3.28Å; F202-S206 PolarHBondContact O-OG 2.9Å; F203-S206 PolarHBondContact O-N 2.98Å; S204-S206 VanDerWaalsContact C-N 3.34Å; S204-S206 PolarHBondContact O-N 2.83Å; S206-A209 PolarHBondContact O-N 2.99Å; S206-V210 VanDerWaalsContact O-CG2 3.32Å; S206-V210 WeakPolarHBondContact O-CG2 3.41Å; S206-V210 PolarHBondContact O-N 2.86Å
207S90.3Very high85Confident0 Ų057.4 Ų57.40%031%0.307CS..Hα-helixtrans-59.2-46174.2-68.80000112.3F203 S204 A205 V210 Y211 S230 F439F203-S207 PolarHBondContact O-N 2.76Å; F203-S207 PolarHBondContact O-OG 2.62Å; F203-S207 VanDerWaalsContact O-OG 3.05Å; S204-S207 WeakPolarHBondContact O-CB 3.43Å; S204-S207 PolarHBondContact O-N 2.74Å; A205-S207 VanDerWaalsContact C-N 3.35Å; A205-S207 PolarHBondContact O-N 3.33Å; S207-V210 PolarHBondContact O-N 2.92Å; S207-Y211 PolarHBondContact O-N 3.47Å; S207-S230 WeakPolarHBondContact CB-OG 3.13Å; S207-F439 WeakPolarHBondContact OG-CA 3.27Å; S207-F439 WeakPolarHBondContact OG-CB 3.05Å
208L91Very high83.3Confident47 Ų4762.6 Ų62.625%0.24634%0.338CS..Hα-helixtrans-62.5-44175.8-65.4173.6000111.3S204 A205 Y211 V212 V227 F234S204-L208 WeakPolarHBondContact O-CG 3.35Å; S204-L208 PolarHBondContact O-N 3.34Å; A205-L208 PolarHBondContact O-N 2.91Å; L208-Y211 WeakPolarHBondContact O-CB 3.4Å; L208-Y211 PolarHBondContact O-N 3.25Å; L208-V212 WeakPolarHBondContact O-CG2 3.43Å; L208-V212 PolarHBondContact O-N 3.47Å; L208-V227 HydrophobicContact CD2-CG1 3.9Å; L208-F234 HydrophobicContact CD1-CB 4.26Å; L208-F234 HydrophobicContact CD1-CG 4.29Å
209A90.4Very high81.7Confident40 Ų4063.8 Ų63.833%0.33134%0.337SS..Hα-helixtrans-60.9-48.2177.300000111.9A205 S206 Y211 V212 F213A205-A209 PolarHBondContact O-N 3.42Å; S206-A209 PolarHBondContact O-N 2.99Å; A209-Y211 PolarHBondContact O-N 3.37Å; A209-V212 PolarHBondContact O-N 2.91Å; A209-V212 VanDerWaalsContact O-N 3.14Å; A209-F213 HydrophobicContact CB-CD2 4.38Å; A209-F213 HydrophobicContact CB-CE2 4.19Å; A209-F213 WeakPolarHBondContact O-CD2 3.49Å; A209-F213 PolarHBondContact O-N 3.49Å
210V87.5Confident80.7Confident34 Ų3465 Ų6521%0.20634%0.344CS..Hα-helixtrans-57.7-39.2176.5168.90000111.3S206 S207 N214 F439 I442S206-V210 VanDerWaalsContact O-CG2 3.32Å; S206-V210 WeakPolarHBondContact O-CG2 3.41Å; S206-V210 PolarHBondContact O-N 2.86Å; S207-V210 PolarHBondContact O-N 2.92Å; V210-N214 WeakPolarHBondContact CG1-ND2 3.35Å; V210-N214 VanDerWaalsContact O-CB 3.29Å; V210-N214 WeakPolarHBondContact O-CB 3.43Å; V210-N214 VanDerWaalsContact O-CG 3.31Å; V210-N214 PolarHBondContact O-N 3.3Å; V210-N214 VanDerWaalsContact O-N 3.13Å; V210-N214 PolarHBondContact O-ND2 3.46Å; V210-F439 HydrophobicContact CG2-CE2 3.97Å; V210-I442 HydrophobicContact CG1-CG2 4.06Å
211Y83.8Confident79.9Confident51 Ų5167.7 Ų67.720%0.236%0.36CS..Hα-helixtrans-64.8-47.8175.3174.7-105000112.2S207 L208 A209 F213 N214 R215 M219 V227S207-Y211 PolarHBondContact O-N 3.47Å; L208-Y211 WeakPolarHBondContact O-CB 3.4Å; L208-Y211 PolarHBondContact O-N 3.25Å; A209-Y211 PolarHBondContact O-N 3.37Å; Y211-F213 PolarHBondContact O-N 2.92Å; Y211-N214 PolarHBondContact O-N 2.95Å; Y211-R215 PolarHBondContact O-N 2.9Å; Y211-R215 VanDerWaalsContact O-N 3.08Å; Y211-M219 HydrophobicContact CD2-SD 4.41Å; Y211-M219 HydrophobicContact CE2-CG 4.32Å; Y211-M219 HydrophobicContact CE2-SD 4.24Å; Y211-V227 HydrophobicContact CD1-CG1 3.64Å; Y211-V227 HydrophobicContact CD1-CG2 4.31Å; Y211-V227 HydrophobicContact CD2-CB 4.35Å; Y211-V227 HydrophobicContact CD2-CG1 4.28Å; Y211-V227 HydrophobicContact CD2-CG2 3.57Å; Y211-V227 HydrophobicContact CE1-CG1 3.99Å; Y211-V227 HydrophobicContact CE2-CG2 4.25Å; Y211-V227 HydrophobicContact CG-CB 4.24Å; Y211-V227 HydrophobicContact CG-CG1 3.77Å; Y211-V227 HydrophobicContact CG-CG2 3.56Å
212V85.1Confident79.2Confident95 Ų9567 Ų6758%0.57636%0.358SS*.Hα-helixtrans-60.2-45.6179.71720000111.3L208 A209 N214 R215L208-V212 WeakPolarHBondContact O-CG2 3.43Å; L208-V212 PolarHBondContact O-N 3.47Å; A209-V212 PolarHBondContact O-N 2.91Å; A209-V212 VanDerWaalsContact O-N 3.14Å; V212-N214 VanDerWaalsContact C-N 3.31Å; V212-N214 PolarHBondContact O-N 3.46Å; V212-R215 WeakPolarHBondContact O-CB 3.35Å; V212-R215 PolarHBondContact O-N 2.97Å
213F82.8Confident78.5Confident175 Ų17561.3 Ų61.377%0.76833%0.334SS*.Hα-helixtrans-68.9-27.3179.4-70.4-60.7000113.7A209 Y211A209-F213 HydrophobicContact CB-CD2 4.38Å; A209-F213 HydrophobicContact CB-CE2 4.19Å; A209-F213 WeakPolarHBondContact O-CD2 3.49Å; A209-F213 PolarHBondContact O-N 3.49Å; Y211-F213 PolarHBondContact O-N 2.92Å
214N73.7Confident78.1Confident20 Ų2059.9 Ų59.911%0.10733%0.329CS..Hα-helixtrans-92.5-2.5179.2-71.8-44.7000114.1V210 Y211 V212 S216 N217 M219 R450V210-N214 WeakPolarHBondContact CG1-ND2 3.35Å; V210-N214 VanDerWaalsContact O-CB 3.29Å; V210-N214 WeakPolarHBondContact O-CB 3.43Å; V210-N214 VanDerWaalsContact O-CG 3.31Å; V210-N214 PolarHBondContact O-N 3.3Å; V210-N214 VanDerWaalsContact O-N 3.13Å; V210-N214 PolarHBondContact O-ND2 3.46Å; Y211-N214 PolarHBondContact O-N 2.95Å; V212-N214 VanDerWaalsContact C-N 3.31Å; V212-N214 PolarHBondContact O-N 3.46Å; N214-S216 PolarHBondContact O-N 3.2Å; N214-N217 PolarHBondContact O-N 3.35Å; N214-N217 VanDerWaalsContact O-N 3.14Å; N214-M219 HydrophobicContact CB-CE 4.4Å; N214-M219 WeakPolarHBondContact O-CE 3.44Å; N214-R450 PolarHBondContact ND2-NH2 3.34Å; N214-R450 PolarHBondContact OD1-NH2 3.27Å
215R66.5Low77.9Confident182 Ų18259.9 Ų59.969%0.68733%0.329SS*.THydrogen-bonded Turntrans-54.4-18.6-173.4-173.4174.7176.7169.20.2115Y211 V212 N217Y211-R215 PolarHBondContact O-N 2.9Å; Y211-R215 VanDerWaalsContact O-N 3.08Å; V212-R215 WeakPolarHBondContact O-CB 3.35Å; V212-R215 PolarHBondContact O-N 2.97Å; R215-N217 PolarHBondContact O-N 3Å
216S56.5Low77.6Confident115 Ų11558.6 Ų58.680%0.80432%0.317SS*.THydrogen-bonded Turntrans-67-18.3178.2-171.10000114.6N214N214-S216 PolarHBondContact O-N 3.2Å
217N53.6Low77.5Confident50 Ų5057.9 Ų57.927%0.26731%0.311SS..SBendtrans-94.7151.1-179.5-716.3000110.9N214 R215 M219 E453N214-N217 PolarHBondContact O-N 3.35Å; N214-N217 VanDerWaalsContact O-N 3.14Å; R215-N217 PolarHBondContact O-N 3Å; N217-M219 HydrophobicContact CB-CE 3.62Å; N217-M219 WeakPolarHBondContact O-CE 3.22Å; N217-M219 WeakPolarHBondContact O-CG 3.5Å; N217-M219 PolarHBondContact O-N 3.49Å; N217-E453 WeakPolarHBondContact CB-OE1 3.41Å; N217-E453 PolarHBondContact ND2-OE1 3.08Å; N217-E453 PolarHBondContact ND2-OE2 3.47Å
218T52.8Low77.6Confident120 Ų12059.1 Ų59.174%0.73632%0.319SS*.  trans-59.497.8176.743.60000110.4
219M57.2Low77.6Confident55 Ų5556.9 Ų56.927%0.27131%0.308SS..  trans-71.9137.5-171.2-68.9-67.711100112Y211 N214 N217 M223Y211-M219 HydrophobicContact CD2-SD 4.41Å; Y211-M219 HydrophobicContact CE2-CG 4.32Å; Y211-M219 HydrophobicContact CE2-SD 4.24Å; N214-M219 HydrophobicContact CB-CE 4.4Å; N214-M219 WeakPolarHBondContact O-CE 3.44Å; N217-M219 HydrophobicContact CB-CE 3.62Å; N217-M219 WeakPolarHBondContact O-CE 3.22Å; N217-M219 WeakPolarHBondContact O-CG 3.5Å; N217-M219 PolarHBondContact O-N 3.49Å; M219-M223 HydrophobicContact SD-SD 4.07Å
220D70.9Confident77.7Confident103 Ų10355 Ų5555%0.55129%0.292SS*.  trans-73.3146.3172.1-158.1-20.7000110.5S222 M223 S224D220-S222 VanDerWaalsContact C-N 3.26Å; D220-S222 PolarHBondContact O-N 3.35Å; D220-M223 PolarHBondContact O-N 3.44Å; D220-S224 PolarHBondContact O-N 2.97Å
221T75.6Confident78Confident56 Ų5654 Ų5434%0.34429%0.289SS..Hα-helixtrans-61.5-37.3-179.4-62.30000111.1M223 S224 I225 Y295T221-M223 VanDerWaalsContact C-N 3.33Å; T221-M223 PolarHBondContact O-N 3.49Å; T221-S224 PolarHBondContact O-N 2.81Å; T221-I225 HydrophobicContact CG2-CD1 4.43Å; T221-I225 PolarHBondContact O-N 3.4Å; T221-Y295 HydrophobicContact CG2-CD1 3.63Å; T221-Y295 HydrophobicContact CG2-CE1 3.79Å
222S79.7Confident78.5Confident21 Ų2151.6 Ų51.615%0.14728%0.279CS..Hα-helixtrans-59.2-41.6176.81690000112.3D220 S224 I225 H226 H279D220-S222 VanDerWaalsContact C-N 3.26Å; D220-S222 PolarHBondContact O-N 3.35Å; S222-S224 VanDerWaalsContact C-N 3.32Å; S222-S224 PolarHBondContact O-N 3.23Å; S222-I225 PolarHBondContact O-N 3.48Å; S222-H226 PolarHBondContact O-CD2 3.25Å; S222-H226 PolarHBondContact O-N 2.87Å; S222-H226 VanDerWaalsContact O-N 3.16Å; S222-H226 PolarHBondContact OG-NE2 2.83Å; S222-H279 WeakPolarHBondContact CA-NE2 3.45Å; S222-H279 WeakPolarHBondContact CB-NE2 3.1Å
223M80.7Confident78.9Confident15 Ų1547.1 Ų47.17%0.07425%0.252CS..Hα-helixtrans-66.3-35.7-178.7-166164.5177.100111.9M219 D220 T221 I225 H226 V227 I442 A446M219-M223 HydrophobicContact SD-SD 4.07Å; D220-M223 PolarHBondContact O-N 3.44Å; T221-M223 VanDerWaalsContact C-N 3.33Å; T221-M223 PolarHBondContact O-N 3.49Å; M223-I225 VanDerWaalsContact C-N 3.33Å; M223-I225 PolarHBondContact O-N 3.06Å; M223-H226 PolarHBondContact O-N 2.95Å; M223-V227 WeakPolarHBondContact O-CB 3.31Å; M223-V227 WeakPolarHBondContact O-CG2 2.98Å; M223-V227 PolarHBondContact O-N 3.32Å; M223-I442 HydrophobicContact CE-CG2 3.76Å; M223-A446 HydrophobicContact CE-CB 4.02Å
224S84.4Confident79.5Confident11 Ų1142 Ų428%0.07723%0.23CC..Hα-helixtrans-67.8-32.5176.9-59.60000112.8D220 T221 S222 S228D220-S224 PolarHBondContact O-N 2.97Å; T221-S224 PolarHBondContact O-N 2.81Å; S222-S224 VanDerWaalsContact C-N 3.32Å; S222-S224 PolarHBondContact O-N 3.23Å; S224-S228 PolarHBondContact O-N 2.97Å; S224-S228 PolarHBondContact O-OG 3.47Å
225I88.3Confident80.5Confident1 Ų143.8 Ų43.81%0.00524%0.239CC..Hα-helixtrans-69-48.6175.6-65.3169000110.3T221 S222 M223 V227 S228 L229 W272 I275 E276 H279 L296 L299T221-I225 HydrophobicContact CG2-CD1 4.43Å; T221-I225 PolarHBondContact O-N 3.4Å; S222-I225 PolarHBondContact O-N 3.48Å; M223-I225 VanDerWaalsContact C-N 3.33Å; M223-I225 PolarHBondContact O-N 3.06Å; I225-V227 VanDerWaalsContact C-N 3.27Å; I225-V227 PolarHBondContact O-N 2.9Å; I225-S228 WeakPolarHBondContact O-CB 3.35Å; I225-S228 PolarHBondContact O-N 3.48Å; I225-S228 VanDerWaalsContact O-N 3.09Å; I225-L229 PolarHBondContact O-N 3.25Å; I225-W272 HydrophobicContact CG2-CE3 4.28Å; I225-W272 HydrophobicContact CG2-CZ3 4.32Å; I225-I275 HydrophobicContact CG2-CG2 4.22Å; I225-E276 HydrophobicContact CG2-CB 4.04Å; I225-E276 HydrophobicContact CG2-CG 4.46Å; I225-H279 HydrophobicContact CD1-CB 3.78Å; I225-H279 VanDerWaalsContact CD1-CG 3.42Å; I225-L296 HydrophobicContact CG1-CD1 4.24Å; I225-L299 HydrophobicContact CD1-CD1 3.99Å; I225-L299 HydrophobicContact CG1-CD1 4.49Å
226H87.3Confident81.7Confident12 Ų1235.6 Ų35.66%0.05621%0.209CC..Hα-helixtrans-58.4-39.2176.7-67.4-57.3000112.4S222 M223 L229 S230 E276 W441 I442S222-H226 PolarHBondContact O-CD2 3.25Å; S222-H226 PolarHBondContact O-N 2.87Å; S222-H226 VanDerWaalsContact O-N 3.16Å; S222-H226 PolarHBondContact OG-NE2 2.83Å; M223-H226 PolarHBondContact O-N 2.95Å; H226-L229 PolarHBondContact O-N 3.28Å; H226-S230 WeakPolarHBondContact O-CB 3.47Å; H226-S230 PolarHBondContact O-N 3.49Å; H226-E276 IonicContact CE1-OE1 2.62Å; H226-E276 PolarHBondContact CE1-OE1 2.88Å; H226-E276 IonicContact CG-OE1 2.79Å; H226-E276 IonicContact ND1-OE1 2.56Å; H226-E276 PolarHBondContact ND1-OE1 3.45Å; H226-W441 AromaticContact CD2-CD1 3.68Å; H226-W441 AromaticContact CD2-NE1 3.8Å; H226-W441 AromaticContact CE1-CD1 3.81Å; H226-W441 AromaticContact CE1-NE1 3.76Å; H226-W441 AromaticContact NE2-CD1 3.37Å; H226-W441 AromaticContact NE2-NE1 3.11Å; H226-W441 PolarHBondContact NE2-NE1 2.9Å; H226-W441 VanDerWaalsContact NE2-NE1 3.11Å; H226-I442 HydrophobicContact CB-CD1 4.07Å; H226-I442 HydrophobicContact CB-CG1 4.06Å
227V89.4Confident83.4Confident13 Ų1330.3 Ų30.38%0.07917%0.172CC..Hα-helixtrans-66.7-38.8176.91670000111.5L208 Y211 M223 I225 S230 G231 I442L208-V227 HydrophobicContact CD2-CG1 3.9Å; Y211-V227 HydrophobicContact CD1-CG1 3.64Å; Y211-V227 HydrophobicContact CD1-CG2 4.31Å; Y211-V227 HydrophobicContact CD2-CB 4.35Å; Y211-V227 HydrophobicContact CD2-CG1 4.28Å; Y211-V227 HydrophobicContact CD2-CG2 3.57Å; Y211-V227 HydrophobicContact CE1-CG1 3.99Å; Y211-V227 HydrophobicContact CE2-CG2 4.25Å; Y211-V227 HydrophobicContact CG-CB 4.24Å; Y211-V227 HydrophobicContact CG-CG1 3.77Å; Y211-V227 HydrophobicContact CG-CG2 3.56Å; M223-V227 WeakPolarHBondContact O-CB 3.31Å; M223-V227 WeakPolarHBondContact O-CG2 2.98Å; M223-V227 PolarHBondContact O-N 3.32Å; I225-V227 VanDerWaalsContact C-N 3.27Å; I225-V227 PolarHBondContact O-N 2.9Å; V227-S230 PolarHBondContact O-N 3.47Å; V227-G231 PolarHBondContact O-N 2.86Å; V227-I442 HydrophobicContact CG2-CD1 4.16Å
228S92Very high85.3Confident25 Ų2529.2 Ų29.218%0.17517%0.168CC..Hα-helixtrans-66.3-42.7176.9-56.70000111.5S224 I225 G231 A232 W272S224-S228 PolarHBondContact O-N 2.97Å; S224-S228 PolarHBondContact O-OG 3.47Å; I225-S228 WeakPolarHBondContact O-CB 3.35Å; I225-S228 PolarHBondContact O-N 3.48Å; I225-S228 VanDerWaalsContact O-N 3.09Å; S228-G231 PolarHBondContact O-N 3.35Å; S228-A232 PolarHBondContact O-N 2.88Å; S228-W272 VanDerWaalsContact CB-CH2 3.45Å; S228-W272 VanDerWaalsContact CB-CZ2 3.46Å
229L91.4Very high87.2Confident0 Ų023.8 Ų23.80%013%0.134CC..Hα-helixtrans-61.3-43.3171.7177.560.8000111.7I225 H226 G231 A232 L233 W272 M273 E276 I438I225-L229 PolarHBondContact O-N 3.25Å; H226-L229 PolarHBondContact O-N 3.28Å; L229-G231 VanDerWaalsContact C-N 3.27Å; L229-G231 PolarHBondContact O-N 3.15Å; L229-A232 PolarHBondContact O-N 2.95Å; L229-A232 VanDerWaalsContact O-N 3.16Å; L229-L233 HydrophobicContact CD1-CG 4.45Å; L229-L233 HydrophobicContact CG-CD1 4.24Å; L229-L233 PolarHBondContact O-N 3.48Å; L229-W272 HydrophobicContact CB-CB 4.1Å; L229-W272 HydrophobicContact CD1-CB 3.77Å; L229-M273 HydrophobicContact CD1-CG 3.62Å; L229-M273 HydrophobicContact CD2-CG 4.09Å; L229-E276 WeakPolarHBondContact CD2-OE2 3.46Å; L229-I438 HydrophobicContact CD2-CD1 3.84Å; L229-I438 HydrophobicContact CG-CD1 4.12Å
230S92.8Very high88.7Confident0 Ų023.8 Ų23.80%013%0.133CC..Hα-helixtrans-61.9-35.4176.2-170.30000112.2S204 S207 H226 V227 F234S204-S230 WeakPolarHBondContact CA-OG 3.22Å; S204-S230 PolarHBondContact O-OG 3.11Å; S207-S230 WeakPolarHBondContact CB-OG 3.13Å; H226-S230 WeakPolarHBondContact O-CB 3.47Å; H226-S230 PolarHBondContact O-N 3.49Å; V227-S230 PolarHBondContact O-N 3.47Å; S230-F234 WeakPolarHBondContact O-CB 3.45Å; S230-F234 PolarHBondContact O-N 2.83Å
231G93.7Very high89.7Confident14 Ų1421.2 Ų21.214%0.14412%0.119CC..Hα-helixtrans-64.5-43.5172.100000112.7V227 S228 L229 F234 L235V227-G231 PolarHBondContact O-N 2.86Å; S228-G231 PolarHBondContact O-N 3.35Å; L229-G231 VanDerWaalsContact C-N 3.27Å; L229-G231 PolarHBondContact O-N 3.15Å; G231-F234 PolarHBondContact O-N 3.42Å; G231-L235 WeakPolarHBondContact O-CG 3.43Å; G231-L235 PolarHBondContact O-N 3.05Å
232A95.1Very high90.4Very high0 Ų022.2 Ų22.20%012%0.122CC..Hα-helixtrans-63.1-44175.600000111.8S228 L229 F234 L235 L236 C268 W304S228-A232 PolarHBondContact O-N 2.88Å; L229-A232 PolarHBondContact O-N 2.95Å; L229-A232 VanDerWaalsContact O-N 3.16Å; A232-F234 PolarHBondContact O-N 2.81Å; A232-L235 PolarHBondContact O-N 3.1Å; A232-L236 WeakPolarHBondContact O-CB 3.43Å; A232-L236 PolarHBondContact O-N 3.3Å; A232-C268 HydrophobicContact CB-CB 4.02Å; A232-W304 HydrophobicContact CB-CH2 4.05Å; A232-W304 HydrophobicContact CB-CZ3 4.45Å
233L92.2Very high90.7Very high1 Ų121.4 Ų21.41%0.00512%0.116CC..Hα-helixtrans-63.9-39.5175.5-74.1170.3000112.3L229 L235 L236 N237 Q434 I438L229-L233 HydrophobicContact CD1-CG 4.45Å; L229-L233 HydrophobicContact CG-CD1 4.24Å; L229-L233 PolarHBondContact O-N 3.48Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L236 PolarHBondContact O-N 2.91Å; L233-N237 WeakPolarHBondContact O-CB 3.35Å; L233-N237 PolarHBondContact O-N 2.97Å; L233-N237 PolarHBondContact O-ND2 3.38Å; L233-Q434 HydrophobicContact CD1-CG 4.08Å; L233-I438 HydrophobicContact CD1-CD1 3.41Å; L233-I438 VanDerWaalsContact CD1-CD1 3.41Å
234F95.1Very high90.9Very high68 Ų6823.9 Ų23.930%0.29813%0.128SC..Hα-helixtrans-58.8-47.2174.6175.6-88.5000110.9L201 A205 L208 S230 G231 A232 S238L201-F234 HydrophobicContact CD1-CD2 3.31Å; L201-F234 HydrophobicContact CD1-CE2 3.45Å; L201-F234 VanDerWaalsContact CD1-CE2 3.45Å; L201-F234 HydrophobicContact CD1-CG 3.94Å; L201-F234 HydrophobicContact CD1-CZ 4.19Å; L201-F234 WeakPolarHBondContact CD1-O 3.37Å; L201-F234 HydrophobicContact CG-CD2 4.31Å; L201-F234 HydrophobicContact CG-CE2 4.23Å; A205-F234 HydrophobicContact CB-CD2 4.07Å; A205-F234 HydrophobicContact CB-CE2 3.96Å; L208-F234 HydrophobicContact CD1-CB 4.26Å; L208-F234 HydrophobicContact CD1-CG 4.29Å; S230-F234 WeakPolarHBondContact O-CB 3.45Å; S230-F234 PolarHBondContact O-N 2.83Å; G231-F234 PolarHBondContact O-N 3.42Å; A232-F234 PolarHBondContact O-N 2.81Å; F234-S238 VanDerWaalsContact O-CB 3.28Å; F234-S238 WeakPolarHBondContact O-CB 3.22Å; F234-S238 PolarHBondContact O-N 2.93Å; F234-S238 PolarHBondContact O-OG 3.49Å
235L95.1Very high91Very high57 Ų5730.2 Ų30.230%0.29815%0.15SC..Hα-helixtrans-61.4-48.9176.7-70.2173.5000111.3G231 A232 L233 N237 S238 T239 W304G231-L235 WeakPolarHBondContact O-CG 3.43Å; G231-L235 PolarHBondContact O-N 3.05Å; A232-L235 PolarHBondContact O-N 3.1Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L235-N237 PolarHBondContact O-N 3.1Å; L235-S238 PolarHBondContact O-N 3.01Å; L235-T239 WeakPolarHBondContact O-CG2 3.09Å; L235-T239 PolarHBondContact O-N 3.38Å; L235-T239 PolarHBondContact O-OG1 2.99Å; L235-W304 HydrophobicContact CD1-CH2 4.41Å; L235-W304 HydrophobicContact CD1-CZ3 4.2Å
236L92.9Very high90.8Very high10 Ų1030.1 Ų30.15%0.05215%0.149CC..Hα-helixtrans-58.2-51.9-179.1178.461.9000112.3A232 L233 S238 T239 F240 M262 S265 L266 C269 W409A232-L236 WeakPolarHBondContact O-CB 3.43Å; A232-L236 PolarHBondContact O-N 3.3Å; L233-L236 PolarHBondContact O-N 2.91Å; L236-S238 VanDerWaalsContact C-N 3.34Å; L236-S238 PolarHBondContact O-N 3.38Å; L236-T239 PolarHBondContact O-N 3.36Å; L236-T239 PolarHBondContact O-OG1 3.42Å; L236-F240 WeakPolarHBondContact O-CB 3.26Å; L236-F240 PolarHBondContact O-N 3.22Å; L236-M262 HydrophobicContact CD1-CG 4.14Å; L236-S265 VanDerWaalsContact CA-OG 3.3Å; L236-S265 WeakPolarHBondContact CA-OG 3.4Å; L236-L266 HydrophobicContact CD1-CB 4.02Å; L236-L266 HydrophobicContact CD1-CD1 4.33Å; L236-L266 HydrophobicContact CD2-CD1 4.11Å; L236-C269 HydrophobicContact CD2-CB 4.45Å; L236-W409 HydrophobicContact CD2-CH2 4.2Å; L236-W409 HydrophobicContact CD2-CZ2 4.1Å
237N91.8Very high90.6Very high5 Ų530.5 Ų30.53%0.02715%0.154CC..Hα-helixtrans-65.6-38180-71.9-76.1000111.6C197 L201 L233 L235 F240 L241C197-N237 WeakPolarHBondContact CA-OD1 3.41Å; C197-N237 HydrophobicContact CB-CB 4.39Å; C197-N237 WeakPolarHBondContact CB-OD1 3.2Å; C197-N237 PolarHBondContact SG-OD1 3.22Å; L201-N237 HydrophobicContact CB-CB 4.15Å; L201-N237 HydrophobicContact CD1-CB 4.3Å; L233-N237 WeakPolarHBondContact O-CB 3.35Å; L233-N237 PolarHBondContact O-N 2.97Å; L233-N237 PolarHBondContact O-ND2 3.38Å; L235-N237 PolarHBondContact O-N 3.1Å; N237-F240 PolarHBondContact O-N 3.04Å; N237-L241 VanDerWaalsContact O-CG 3.31Å; N237-L241 WeakPolarHBondContact O-CG 3.4Å; N237-L241 PolarHBondContact O-N 2.77Å; N237-L241 VanDerWaalsContact O-N 3.15Å
238S93.7Very high90.3Very high27 Ų2734.9 Ų34.919%0.18918%0.181CC..Hα-helixtrans-61.7-49175.2-59.90000111.2L201 F234 L235 L236 F240 L241 L242L201-S238 WeakPolarHBondContact CD1-OG 3.4Å; F234-S238 VanDerWaalsContact O-CB 3.28Å; F234-S238 WeakPolarHBondContact O-CB 3.22Å; F234-S238 PolarHBondContact O-N 2.93Å; F234-S238 PolarHBondContact O-OG 3.49Å; L235-S238 PolarHBondContact O-N 3.01Å; L236-S238 VanDerWaalsContact C-N 3.34Å; L236-S238 PolarHBondContact O-N 3.38Å; S238-F240 VanDerWaalsContact C-N 3.35Å; S238-F240 PolarHBondContact O-N 3.42Å; S238-L241 PolarHBondContact O-N 3.07Å; S238-L242 VanDerWaalsContact O-CG 3.3Å; S238-L242 WeakPolarHBondContact O-CG 3.39Å; S238-L242 PolarHBondContact O-N 3.43Å
239T91.9Very high90Very high5 Ų535.6 Ų35.63%0.03119%0.185CC..Hα-helixtrans-65.6-37.9179.848.40000112.7L235 L236 L241 L242 T243 L261 M262L235-T239 WeakPolarHBondContact O-CG2 3.09Å; L235-T239 PolarHBondContact O-N 3.38Å; L235-T239 PolarHBondContact O-OG1 2.99Å; L236-T239 PolarHBondContact O-N 3.36Å; L236-T239 PolarHBondContact O-OG1 3.42Å; T239-L241 PolarHBondContact O-N 2.99Å; T239-L242 PolarHBondContact O-N 2.93Å; T239-L242 VanDerWaalsContact O-N 3.1Å; T239-T243 WeakPolarHBondContact O-CG2 3.31Å; T239-T243 PolarHBondContact O-N 3.02Å; T239-L261 HydrophobicContact CG2-CB 3.94Å; T239-L261 HydrophobicContact CG2-CD2 3.54Å; T239-L261 HydrophobicContact CG2-CG 3.55Å; T239-M262 WeakPolarHBondContact OG1-CA 3.09Å
240F89.3Confident89.5Confident56 Ų5644.2 Ų44.225%0.24623%0.225CC..Hα-helixtrans-58.8-48.1176.6178.9-100.3000111.3C197 L236 N237 S238 L242 T243 M262C197-F240 HydrophobicContact CB-CD1 4.01Å; C197-F240 HydrophobicContact CB-CE1 4.49Å; C197-F240 WeakPolarHBondContact SG-CD1 3.46Å; L236-F240 WeakPolarHBondContact O-CB 3.26Å; L236-F240 PolarHBondContact O-N 3.22Å; N237-F240 PolarHBondContact O-N 3.04Å; S238-F240 VanDerWaalsContact C-N 3.35Å; S238-F240 PolarHBondContact O-N 3.42Å; F240-L242 PolarHBondContact O-N 2.93Å; F240-T243 WeakPolarHBondContact O-CB 3.05Å; F240-T243 PolarHBondContact O-N 3.5Å; F240-T243 VanDerWaalsContact O-N 3.12Å; F240-T243 PolarHBondContact O-OG1 2.63Å; F240-M262 HydrophobicContact CD2-CE 3.7Å; F240-M262 HydrophobicContact CD2-SD 4.4Å
241L90.5Very high89Confident49 Ų4947.1 Ų47.126%0.25724%0.244SC..Hα-helixtrans-64.6-22.6177.5-66.5173.5000113.3Y194 C197 L201 N237 S238 T239Y194-L241 HydrophobicContact CD1-CD2 3.33Å; Y194-L241 HydrophobicContact CE1-CD2 3.7Å; Y194-L241 HydrophobicContact CG-CD2 4.29Å; C197-L241 HydrophobicContact CB-CD2 4.1Å; C197-L241 HydrophobicContact CB-CG 4.26Å; L201-L241 HydrophobicContact CD2-CD1 4.04Å; N237-L241 VanDerWaalsContact O-CG 3.31Å; N237-L241 WeakPolarHBondContact O-CG 3.4Å; N237-L241 PolarHBondContact O-N 2.77Å; N237-L241 VanDerWaalsContact O-N 3.15Å; S238-L241 PolarHBondContact O-N 3.07Å; T239-L241 PolarHBondContact O-N 2.99Å
242L90.8Very high88.3Confident76 Ų7653 Ų5340%0.39827%0.272SS..Hα-helixtrans-88.7-7.3177.9-68.7171.7000113.4S238 T239 F240 W245 G246 I258S238-L242 VanDerWaalsContact O-CG 3.3Å; S238-L242 WeakPolarHBondContact O-CG 3.39Å; S238-L242 PolarHBondContact O-N 3.43Å; T239-L242 PolarHBondContact O-N 2.93Å; T239-L242 VanDerWaalsContact O-N 3.1Å; F240-L242 PolarHBondContact O-N 2.93Å; L242-W245 HydrophobicContact CD2-CE3 4.05Å; L242-G246 PolarHBondContact O-N 3.45Å; L242-I258 HydrophobicContact CB-CD1 4.2Å; L242-I258 HydrophobicContact CB-CG2 4.33Å
243T86.5Confident87.8Confident5 Ų560.6 Ų60.63%0.03130%0.301CS..Hα-helixtrans-65.3-46.4-173.754.40000113.7T239 F240 G246 A247 I258 M262 C341T239-T243 WeakPolarHBondContact O-CG2 3.31Å; T239-T243 PolarHBondContact O-N 3.02Å; F240-T243 WeakPolarHBondContact O-CB 3.05Å; F240-T243 PolarHBondContact O-N 3.5Å; F240-T243 VanDerWaalsContact O-N 3.12Å; F240-T243 PolarHBondContact O-OG1 2.63Å; T243-G246 PolarHBondContact O-N 3.02Å; T243-A247 PolarHBondContact O-N 3.36Å; T243-A247 VanDerWaalsContact O-N 3.12Å; T243-I258 HydrophobicContact CG2-CG2 4.23Å; T243-M262 HydrophobicContact CG2-SD 3.46Å; T243-M262 WeakPolarHBondContact CG2-SD 3.42Å; T243-C341 PolarHBondContact O-N 3.07Å; T243-C341 PolarHBondContact O-SG 3.24Å; T243-C341 VanDerWaalsContact O-SG 3.36Å
244E84.3Confident87.6Confident67 Ų6761.6 Ų61.631%0.31331%0.307SS..Hα-helixtrans-65.5-46.4176.9-80.5178.9-150.200111.1Y194 G246 A247 T248 I340Y194-E244 WeakPolarHBondContact CE2-OE1 3.34Å; Y194-E244 WeakPolarHBondContact OH-CG 3.34Å; Y194-E244 PolarHBondContact OH-OE1 3.37Å; Y194-E244 PolarHBondContact OH-OE2 3Å; E244-G246 VanDerWaalsContact C-N 3.32Å; E244-G246 PolarHBondContact O-N 3.43Å; E244-A247 PolarHBondContact O-N 2.88Å; E244-T248 PolarHBondContact O-N 3.38Å; E244-I340 HydrophobicContact CG-CG2 3.99Å
245W87.4Confident87.3Confident143 Ų14358.5 Ų58.554%0.54229%0.294SS..Hα-helixtrans-58.1-46.6176.1173.876.2000111.1L242 A247 T248 V249 V254 I258L242-W245 HydrophobicContact CD2-CE3 4.05Å; W245-A247 PolarHBondContact O-N 3.42Å; W245-T248 PolarHBondContact O-N 2.94Å; W245-T248 VanDerWaalsContact O-N 3.07Å; W245-T248 PolarHBondContact O-OG1 2.87Å; W245-V249 HydrophobicContact CD2-CG2 4.04Å; W245-V249 HydrophobicContact CG-CG2 4.47Å; W245-V249 HydrophobicContact CH2-CG2 4.32Å; W245-V249 HydrophobicContact CZ2-CG2 3.73Å; W245-V249 WeakPolarHBondContact O-CG2 3.33Å; W245-V249 PolarHBondContact O-N 3.05Å; W245-V254 HydrophobicContact CZ3-CG1 4.45Å; W245-I258 HydrophobicContact CE3-CD1 4.16Å; W245-I258 HydrophobicContact CZ3-CD1 4.1Å
246G83.4Confident87Confident0 Ų056.6 Ų56.60%028%0.283CS..Hα-helixtrans-61.2-29.817900000114.3L242 T243 E244 T248 C255L242-G246 PolarHBondContact O-N 3.45Å; T243-G246 PolarHBondContact O-N 3.02Å; E244-G246 VanDerWaalsContact C-N 3.32Å; E244-G246 PolarHBondContact O-N 3.43Å; G246-T248 VanDerWaalsContact C-N 3.28Å; G246-T248 PolarHBondContact O-N 3.26Å; G246-C255 WeakPolarHBondContact O-CB 3.38Å
247A83.5Confident86.9Confident19 Ų1961.8 Ų61.816%0.15731%0.305CS..Hα-helixtrans-75.7-18.7178.700000112.7T243 E244 W245 S339 C341T243-A247 PolarHBondContact O-N 3.36Å; T243-A247 VanDerWaalsContact O-N 3.12Å; E244-A247 PolarHBondContact O-N 2.88Å; W245-A247 PolarHBondContact O-N 3.42Å; A247-S339 VanDerWaalsContact CB-O 3.22Å; A247-S339 WeakPolarHBondContact CB-O 3.32Å; A247-C341 PolarHBondContact N-SG 2.93Å
248T83.3Confident86.9Confident105 Ų10562 Ų6264%0.64431%0.307SS*.Hα-helixtrans-95.7-12.3178.965.20000113.9E244 W245 G246E244-T248 PolarHBondContact O-N 3.38Å; W245-T248 PolarHBondContact O-N 2.94Å; W245-T248 VanDerWaalsContact O-N 3.07Å; W245-T248 PolarHBondContact O-OG1 2.87Å; G246-T248 VanDerWaalsContact C-N 3.28Å; G246-T248 PolarHBondContact O-N 3.26Å
249V85.1Confident86.7Confident41 Ų4160.7 Ų60.725%0.24830%0.298CS..SBendtrans-93.9121-173.6171.10000110.2W245 V254W245-V249 HydrophobicContact CD2-CG2 4.04Å; W245-V249 HydrophobicContact CG-CG2 4.47Å; W245-V249 HydrophobicContact CH2-CG2 4.32Å; W245-V249 HydrophobicContact CZ2-CG2 3.73Å; W245-V249 WeakPolarHBondContact O-CG2 3.33Å; W245-V249 PolarHBondContact O-N 3.05Å; V249-V254 HydrophobicContact CG1-CG1 4.41Å
250E81.2Confident86.7Confident180 Ų18060.8 Ų60.884%0.84130%0.299SS*.SBendtrans-75.3130.8159.3-66.9179.9171.300108.3
251P82.9Confident87Confident62 Ų6260.7 Ų60.740%0.40330%0.301SS..SBendcis-97.8156.118.135.8-37000116.4W253 V254P251-W253 HydrophobicContact CG-CG 4.36Å; P251-W253 PolarHBondContact O-N 3.5Å; P251-V254 HydrophobicContact CG-CG2 4.02Å; P251-V254 WeakPolarHBondContact O-CB 3.4Å; P251-V254 WeakPolarHBondContact O-CG2 3.31Å; P251-V254 PolarHBondContact O-N 2.81Å
252D77.9Confident87.1Confident138 Ų13859.4 Ų59.474%0.73829%0.293SS*.THydrogen-bonded Turntrans-51.3-30.4-175-57.5-23.5000115.8V254 C255 E256D252-V254 PolarHBondContact O-N 3.45Å; D252-C255 PolarHBondContact O-N 3.18Å; D252-E256 PolarHBondContact O-N 3.2Å
253W84.3Confident87.2Confident159 Ų15955.8 Ų55.860%0.60228%0.275SS*.Hα-helixtrans-66.4-21.6179.874.1-97.7000112.9P251 E256 F257P251-W253 HydrophobicContact CG-CG 4.36Å; P251-W253 PolarHBondContact O-N 3.5Å; W253-E256 PolarHBondContact O-N 3.37Å; W253-F257 HydrophobicContact CE3-CB 4.27Å; W253-F257 HydrophobicContact CZ3-CB 4.37Å; W253-F257 WeakPolarHBondContact O-CB 3.31Å; W253-F257 PolarHBondContact O-N 2.83Å
254V88.8Confident87.6Confident21 Ų2157.9 Ų57.913%0.12728%0.282CS..Hα-helixtrans-64.1-47.5177.41730000110.2W245 V249 P251 D252 E256 F257 I258W245-V254 HydrophobicContact CZ3-CG1 4.45Å; V249-V254 HydrophobicContact CG1-CG1 4.41Å; P251-V254 HydrophobicContact CG-CG2 4.02Å; P251-V254 WeakPolarHBondContact O-CB 3.4Å; P251-V254 WeakPolarHBondContact O-CG2 3.31Å; P251-V254 PolarHBondContact O-N 2.81Å; D252-V254 PolarHBondContact O-N 3.45Å; V254-E256 VanDerWaalsContact C-N 3.31Å; V254-E256 PolarHBondContact O-N 3.47Å; V254-F257 PolarHBondContact O-N 3.26Å; V254-I258 HydrophobicContact CG1-CD1 4.03Å; V254-I258 WeakPolarHBondContact O-CG1 3.18Å; V254-I258 PolarHBondContact O-N 3.04Å
255C88.7Confident88Confident3 Ų354.7 Ų54.72%0.0227%0.267CS..Hα-helixtrans-62.5-42.6178.9-173.60000111.3G246 D252 F257 I258 A259 V326 C341G246-C255 WeakPolarHBondContact O-CB 3.38Å; D252-C255 PolarHBondContact O-N 3.18Å; C255-F257 VanDerWaalsContact C-N 3.35Å; C255-F257 PolarHBondContact O-N 3.43Å; C255-I258 PolarHBondContact O-N 3.36Å; C255-A259 WeakPolarHBondContact O-CB 3.18Å; C255-A259 PolarHBondContact O-N 3.33Å; C255-V326 HydrophobicContact CB-CG2 4.36Å; C255-C341 WeakPolarHBondContact CA-SG 3.21Å; C255-C341 HydrophobicContact CB-CB 4.15Å; C255-C341 WeakPolarHBondContact CB-SG 3.38Å; C255-C341 WeakPolarHBondContact O-CB 3.4Å; C255-C341 WeakPolarHBondContact SG-CA 3.14Å; C255-C341 WeakPolarHBondContact SG-CB 3.19Å; C255-C341 CovalentContact SG-SG 2.03Å; C255-C341 PolarHBondContact SG-SG 3.41Å
256E88.3Confident88.2Confident18 Ų1848.8 Ų48.88%0.08425%0.246CC..Hα-helixtrans-61.2-42.5176.2-163.6-172.4145.200112.7D252 W253 V254 A259 A260 K318D252-E256 PolarHBondContact O-N 3.2Å; W253-E256 PolarHBondContact O-N 3.37Å; V254-E256 VanDerWaalsContact C-N 3.31Å; V254-E256 PolarHBondContact O-N 3.47Å; E256-A259 PolarHBondContact O-N 3.36Å; E256-A260 WeakPolarHBondContact O-CB 3.41Å; E256-A260 PolarHBondContact O-N 3.28Å; E256-K318 VanDerWaalsContact CD-CE 3.42Å; E256-K318 WeakPolarHBondContact OE1-CD 3.41Å; E256-K318 WeakPolarHBondContact OE1-CE 3.06Å; E256-K318 IonicContact OE1-NZ 3.8Å; E256-K318 PolarHBondContact OE1-NZ 3.47Å; E256-K318 WeakPolarHBondContact OE2-CE 3.25Å; E256-K318 IonicContact OE2-NZ 3.76Å; E256-K318 PolarHBondContact OE2-NZ 3.23Å
257F91.1Very high88.7Confident118 Ų11848.8 Ų48.852%0.51825%0.246SC..Hα-helixtrans-63.7-44.3176.4177-99.9000111.7W253 V254 C255 A260 L261W253-F257 HydrophobicContact CE3-CB 4.27Å; W253-F257 HydrophobicContact CZ3-CB 4.37Å; W253-F257 WeakPolarHBondContact O-CB 3.31Å; W253-F257 PolarHBondContact O-N 2.83Å; V254-F257 PolarHBondContact O-N 3.26Å; C255-F257 VanDerWaalsContact C-N 3.35Å; C255-F257 PolarHBondContact O-N 3.43Å; F257-A260 PolarHBondContact O-N 3.11Å; F257-L261 HydrophobicContact CE1-CD2 4.17Å; F257-L261 HydrophobicContact CZ-CD2 4.38Å; F257-L261 VanDerWaalsContact O-CB 3.31Å; F257-L261 WeakPolarHBondContact O-CB 3.38Å; F257-L261 PolarHBondContact O-N 3.5Å
258I92Very high89.2Confident10 Ų1047.9 Ų47.95%0.05124%0.239CC..Hα-helixtrans-63.7-44.1177.5-67.3174.4000110.5L242 T243 W245 V254 C255 L261 M262 C341L242-I258 HydrophobicContact CB-CD1 4.2Å; L242-I258 HydrophobicContact CB-CG2 4.33Å; T243-I258 HydrophobicContact CG2-CG2 4.23Å; W245-I258 HydrophobicContact CE3-CD1 4.16Å; W245-I258 HydrophobicContact CZ3-CD1 4.1Å; V254-I258 HydrophobicContact CG1-CD1 4.03Å; V254-I258 WeakPolarHBondContact O-CG1 3.18Å; V254-I258 PolarHBondContact O-N 3.04Å; C255-I258 PolarHBondContact O-N 3.36Å; I258-L261 PolarHBondContact O-N 3.1Å; I258-M262 WeakPolarHBondContact O-CB 3.2Å; I258-M262 PolarHBondContact O-N 3.5Å; I258-C341 HydrophobicContact CB-CB 4.45Å; I258-C341 HydrophobicContact CG2-CB 4.36Å
259A90.2Very high89.7Confident0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-60.6-45.7176.500000111.9C255 E256 M262 H263 Y324 C341C255-A259 WeakPolarHBondContact O-CB 3.18Å; C255-A259 PolarHBondContact O-N 3.33Å; E256-A259 PolarHBondContact O-N 3.36Å; A259-M262 PolarHBondContact O-N 2.9Å; A259-H263 WeakPolarHBondContact O-CB 3.22Å; A259-H263 PolarHBondContact O-N 3.48Å; A259-Y324 HydrophobicContact CB-CD1 4.14Å; A259-Y324 HydrophobicContact CB-CG 4.48Å; A259-C341 HydrophobicContact CB-CB 4.19Å
260A92.2Very high90Very high6 Ų641.3 Ų41.35%0.0520%0.198CC..Hα-helixtrans-64.8-40.1177.500000112.2E256 F257 H263 Y264 V311 L315 Y324E256-A260 WeakPolarHBondContact O-CB 3.41Å; E256-A260 PolarHBondContact O-N 3.28Å; F257-A260 PolarHBondContact O-N 3.11Å; A260-H263 PolarHBondContact O-N 2.98Å; A260-Y264 WeakPolarHBondContact O-CB 3.35Å; A260-Y264 PolarHBondContact O-N 3.46Å; A260-V311 HydrophobicContact CB-CG1 4.27Å; A260-L315 HydrophobicContact CB-CD1 4.3Å; A260-L315 HydrophobicContact CB-CD2 4.05Å; A260-L315 HydrophobicContact CB-CG 4.49Å; A260-Y324 HydrophobicContact CB-CD2 4.25Å; A260-Y324 HydrophobicContact CB-CE1 4.46Å; A260-Y324 HydrophobicContact CB-CE2 4.21Å; A260-Y324 HydrophobicContact CB-CG 4.4Å
261L94.3Very high90.6Very high55 Ų5533.1 Ų33.129%0.28816%0.16SC..Hα-helixtrans-69.3-37.6177.4-170.963.4000111.9T239 F257 I258 Y264 S265T239-L261 HydrophobicContact CG2-CB 3.94Å; T239-L261 HydrophobicContact CG2-CD2 3.54Å; T239-L261 HydrophobicContact CG2-CG 3.55Å; F257-L261 HydrophobicContact CE1-CD2 4.17Å; F257-L261 HydrophobicContact CZ-CD2 4.38Å; F257-L261 VanDerWaalsContact O-CB 3.31Å; F257-L261 WeakPolarHBondContact O-CB 3.38Å; F257-L261 PolarHBondContact O-N 3.5Å; I258-L261 PolarHBondContact O-N 3.1Å; L261-Y264 HydrophobicContact CD1-CD1 4.26Å; L261-Y264 PolarHBondContact O-N 3.46Å; L261-S265 WeakPolarHBondContact O-CB 3.01Å; L261-S265 PolarHBondContact O-N 3.15Å; L261-S265 PolarHBondContact O-OG 3.17Å
262M92.1Very high91.1Very high22 Ų2230.2 Ų30.211%0.10814%0.141CC..Hα-helixtrans-65.2-43.6174-168.5-174.1154.300111L236 T239 F240 T243 I258 A259 S265 L266 W342L236-M262 HydrophobicContact CD1-CG 4.14Å; T239-M262 WeakPolarHBondContact OG1-CA 3.09Å; F240-M262 HydrophobicContact CD2-CE 3.7Å; F240-M262 HydrophobicContact CD2-SD 4.4Å; T243-M262 HydrophobicContact CG2-SD 3.46Å; T243-M262 WeakPolarHBondContact CG2-SD 3.42Å; I258-M262 WeakPolarHBondContact O-CB 3.2Å; I258-M262 PolarHBondContact O-N 3.5Å; A259-M262 PolarHBondContact O-N 2.9Å; M262-S265 WeakPolarHBondContact CA-OG 3.4Å; M262-S265 PolarHBondContact O-N 2.93Å; M262-S265 PolarHBondContact O-OG 2.97Å; M262-L266 WeakPolarHBondContact O-CB 3.3Å; M262-L266 PolarHBondContact O-N 2.86Å; M262-W342 HydrophobicContact CB-CE3 4.37Å; M262-W342 HydrophobicContact CB-CZ3 3.79Å; M262-W342 HydrophobicContact CE-CE3 3.73Å; M262-W342 HydrophobicContact CE-CH2 3.85Å; M262-W342 HydrophobicContact CE-CZ3 3.38Å; M262-W342 HydrophobicContact CG-CE3 4.17Å; M262-W342 HydrophobicContact CG-CH2 4.34Å; M262-W342 HydrophobicContact CG-CZ3 3.46Å; M262-W342 VanDerWaalsContact CG-CZ3 3.46Å; M262-W342 HydrophobicContact SD-CE3 3.47Å; M262-W342 HydrophobicContact SD-CH2 4.35Å; M262-W342 HydrophobicContact SD-CZ3 3.33Å; M262-W342 WeakPolarHBondContact SD-CZ3 3.26Å
263H92.8Very high91.8Very high0 Ų023.7 Ų23.70%011%0.106CC..Hα-helixtrans-63.4-45.3174.2179.2-151.6000112A259 A260 S265 L266 L267 Y324 I343 Y348 N353A259-H263 WeakPolarHBondContact O-CB 3.22Å; A259-H263 PolarHBondContact O-N 3.48Å; A260-H263 PolarHBondContact O-N 2.98Å; H263-S265 PolarHBondContact O-N 3.41Å; H263-L266 WeakPolarHBondContact O-CB 3.4Å; H263-L266 PolarHBondContact O-N 3.11Å; H263-L267 WeakPolarHBondContact NE2-CD1 3.32Å; H263-L267 WeakPolarHBondContact O-CG 3.31Å; H263-L267 PolarHBondContact O-N 3.08Å; H263-Y324 HydrophobicContact CB-CE1 3.92Å; H263-Y324 AromaticContact ND1-CE1 3.54Å; H263-Y324 AromaticContact ND1-CZ 3.61Å; H263-Y324 PolarHBondContact ND1-OH 3.44Å; H263-I343 HydrophobicContact CB-CD1 4.46Å; H263-Y348 AromaticContact CE1-CE1 3.86Å; H263-Y348 AromaticContact CE1-CZ 3.95Å; H263-Y348 PolarHBondContact CE1-OH 3.4Å; H263-N353 PolarHBondContact CD2-ND2 3.38Å; H263-N353 PolarHBondContact CD2-OD1 3.34Å; H263-N353 PolarHBondContact CE1-ND2 2.88Å; H263-N353 VanDerWaalsContact NE2-CG 3.28Å; H263-N353 PolarHBondContact NE2-ND2 3.46Å; H263-N353 PolarHBondContact NE2-OD1 2.81Å
264Y95Very high92.1Very high48 Ų4816.9 Ų16.919%0.1888%0.084CC..Hα-helixtrans-56.9-50.6175.5172.2-110.4000112.2A260 L261 L266 L267 C268 W304 P307 A308 V311A260-Y264 WeakPolarHBondContact O-CB 3.35Å; A260-Y264 PolarHBondContact O-N 3.46Å; L261-Y264 HydrophobicContact CD1-CD1 4.26Å; L261-Y264 PolarHBondContact O-N 3.46Å; Y264-L266 VanDerWaalsContact C-N 3.31Å; Y264-L266 PolarHBondContact O-N 3.4Å; Y264-L267 PolarHBondContact O-N 3.38Å; Y264-C268 VanDerWaalsContact CE2-SG 3.53Å; Y264-C268 WeakPolarHBondContact O-CB 3.5Å; Y264-C268 PolarHBondContact O-N 3.26Å; Y264-C268 PolarHBondContact O-SG 3.45Å; Y264-C268 VanDerWaalsContact O-SG 3.42Å; Y264-W304 HydrophobicContact CE1-CE3 4.36Å; Y264-W304 HydrophobicContact CE1-CZ3 4.49Å; Y264-W304 PolarHBondContact OH-O 2.9Å; Y264-P307 HydrophobicContact CD2-CB 3.8Å; Y264-P307 HydrophobicContact CE2-CB 3.74Å; Y264-A308 HydrophobicContact CE2-CB 3.77Å; Y264-V311 HydrophobicContact CD2-CG2 4.46Å
265S94.6Very high92.3Very high0 Ų016.3 Ų16.30%08%0.08CC..Hα-helixtrans-64.5-35.6-179.458.80000112.2L236 L261 M262 H263 C268 C269L236-S265 VanDerWaalsContact CA-OG 3.3Å; L236-S265 WeakPolarHBondContact CA-OG 3.4Å; L261-S265 WeakPolarHBondContact O-CB 3.01Å; L261-S265 PolarHBondContact O-N 3.15Å; L261-S265 PolarHBondContact O-OG 3.17Å; M262-S265 WeakPolarHBondContact CA-OG 3.4Å; M262-S265 PolarHBondContact O-N 2.93Å; M262-S265 PolarHBondContact O-OG 2.97Å; H263-S265 PolarHBondContact O-N 3.41Å; S265-C268 PolarHBondContact O-N 3.43Å; S265-C269 PolarHBondContact O-N 3.32Å; S265-C269 PolarHBondContact O-SG 2.97Å
266L91.6Very high92.2Very high19 Ų1916.4 Ų16.410%0.0998%0.08CC..Hα-helixtrans-60.5-50.1172.7-177.566.3000111.9L236 M262 H263 Y264 C268 C269 F270 W342 W409L236-L266 HydrophobicContact CD1-CB 4.02Å; L236-L266 HydrophobicContact CD1-CD1 4.33Å; L236-L266 HydrophobicContact CD2-CD1 4.11Å; M262-L266 WeakPolarHBondContact O-CB 3.3Å; M262-L266 PolarHBondContact O-N 2.86Å; H263-L266 WeakPolarHBondContact O-CB 3.4Å; H263-L266 PolarHBondContact O-N 3.11Å; Y264-L266 VanDerWaalsContact C-N 3.31Å; Y264-L266 PolarHBondContact O-N 3.4Å; L266-C268 VanDerWaalsContact C-N 3.33Å; L266-C268 PolarHBondContact O-N 3.25Å; L266-C269 WeakPolarHBondContact O-CB 3.42Å; L266-C269 PolarHBondContact O-N 3.36Å; L266-F270 HydrophobicContact CD1-CE1 4.35Å; L266-F270 HydrophobicContact CD1-CE2 3.79Å; L266-F270 HydrophobicContact CD1-CZ 3.62Å; L266-F270 HydrophobicContact CD2-CE2 4.1Å; L266-F270 HydrophobicContact CG-CD2 4.26Å; L266-F270 HydrophobicContact CG-CE2 3.6Å; L266-F270 HydrophobicContact CG-CZ 3.99Å; L266-F270 WeakPolarHBondContact O-CD2 2.8Å; L266-F270 PolarHBondContact O-N 3.46Å; L266-W342 HydrophobicContact CD2-CH2 4.03Å; L266-W342 HydrophobicContact CD2-CZ2 4.38Å; L266-W409 HydrophobicContact CD1-CH2 3.53Å; L266-W409 HydrophobicContact CD1-CZ2 4.25Å; L266-W409 HydrophobicContact CD1-CZ3 3.68Å
267L93.1Very high92.2Very high1 Ų115.6 Ų15.61%0.0058%0.076CC..Hα-helixtrans-63.2-39.1177.1-67.2-178.2000111.8H263 Y264 F270 T271 P307 I310 V311 Y356H263-L267 WeakPolarHBondContact NE2-CD1 3.32Å; H263-L267 WeakPolarHBondContact O-CG 3.31Å; H263-L267 PolarHBondContact O-N 3.08Å; Y264-L267 PolarHBondContact O-N 3.38Å; L267-F270 PolarHBondContact O-N 2.76Å; L267-T271 PolarHBondContact O-N 3.07Å; L267-T271 PolarHBondContact O-OG1 2.82Å; L267-P307 HydrophobicContact CB-CB 3.73Å; L267-P307 HydrophobicContact CB-CG 3.97Å; L267-I310 HydrophobicContact CD1-CB 4.09Å; L267-I310 HydrophobicContact CD1-CD1 4.18Å; L267-I310 HydrophobicContact CD1-CG2 3.82Å; L267-V311 HydrophobicContact CD1-CG2 4.2Å; L267-Y356 HydrophobicContact CB-CE1 4.47Å; L267-Y356 HydrophobicContact CD2-CD1 3.48Å; L267-Y356 VanDerWaalsContact CD2-CD1 3.48Å; L267-Y356 HydrophobicContact CD2-CE1 3.84Å; L267-Y356 HydrophobicContact CD2-CG 3.97Å
268C94.9Very high92.1Very high0 Ų013.1 Ų13.10%07%0.068CC..Hα-helixtrans-60-45.2172.5-76.90000111.9A232 Y264 S265 L266 F270 T271 W272 W304 P307A232-C268 HydrophobicContact CB-CB 4.02Å; Y264-C268 VanDerWaalsContact CE2-SG 3.53Å; Y264-C268 WeakPolarHBondContact O-CB 3.5Å; Y264-C268 PolarHBondContact O-N 3.26Å; Y264-C268 PolarHBondContact O-SG 3.45Å; Y264-C268 VanDerWaalsContact O-SG 3.42Å; S265-C268 PolarHBondContact O-N 3.43Å; L266-C268 VanDerWaalsContact C-N 3.33Å; L266-C268 PolarHBondContact O-N 3.25Å; C268-F270 PolarHBondContact O-N 3.19Å; C268-T271 PolarHBondContact O-N 3.12Å; C268-W272 WeakPolarHBondContact O-CB 3.31Å; C268-W272 PolarHBondContact O-N 3.4Å; C268-W304 HydrophobicContact CB-CE3 4.18Å; C268-W304 HydrophobicContact CB-CZ3 3.99Å; C268-P307 HydrophobicContact CB-CG 4.41Å; C268-P307 WeakPolarHBondContact SG-CB 3.21Å
269C92.1Very high91.7Very high0 Ų013.2 Ų13.20%07%0.068CC..Hα-helixtrans-55.7-50.5174.8-74.60000110.7L236 S265 L266 T271 W272 M273L236-C269 HydrophobicContact CD2-CB 4.45Å; S265-C269 PolarHBondContact O-N 3.32Å; S265-C269 PolarHBondContact O-SG 2.97Å; L266-C269 WeakPolarHBondContact O-CB 3.42Å; L266-C269 PolarHBondContact O-N 3.36Å; C269-T271 PolarHBondContact O-N 3.22Å; C269-W272 PolarHBondContact O-N 3.5Å; C269-M273 HydrophobicContact CB-CE 4.36Å; C269-M273 WeakPolarHBondContact O-CB 3.23Å; C269-M273 WeakPolarHBondContact O-CE 3.29Å; C269-M273 VanDerWaalsContact O-CG 3.24Å; C269-M273 WeakPolarHBondContact O-CG 3.36Å; C269-M273 PolarHBondContact O-N 3.45Å
270F91.5Very high91.3Very high8 Ų814.5 Ų14.54%0.0358%0.075CC..Hα-helixtrans-60.3-44.9178.7-63.3-40.4000112.4L266 L267 C268 W272 M273 A274 Y356 F357 I360 W409L266-F270 HydrophobicContact CD1-CE1 4.35Å; L266-F270 HydrophobicContact CD1-CE2 3.79Å; L266-F270 HydrophobicContact CD1-CZ 3.62Å; L266-F270 HydrophobicContact CD2-CE2 4.1Å; L266-F270 HydrophobicContact CG-CD2 4.26Å; L266-F270 HydrophobicContact CG-CE2 3.6Å; L266-F270 HydrophobicContact CG-CZ 3.99Å; L266-F270 WeakPolarHBondContact O-CD2 2.8Å; L266-F270 PolarHBondContact O-N 3.46Å; L267-F270 PolarHBondContact O-N 2.76Å; C268-F270 PolarHBondContact O-N 3.19Å; F270-W272 PolarHBondContact O-N 2.03Å; F270-M273 HydrophobicContact CD1-CE 3.42Å; F270-M273 VanDerWaalsContact CD1-CE 3.42Å; F270-M273 HydrophobicContact CE1-CE 4.02Å; F270-M273 HydrophobicContact CG-CE 4.41Å; F270-M273 PolarHBondContact O-N 3.12Å; F270-A274 PolarHBondContact O-N 3.2Å; F270-Y356 HydrophobicContact CB-CE1 4.14Å; F270-Y356 HydrophobicContact CD2-CD1 4.42Å; F270-F357 AromaticContact CD1-CD2 3.9Å; F270-F357 HydrophobicContact CD1-CD2 3.9Å; F270-F357 HydrophobicContact CD1-CE2 4.29Å; F270-F357 HydrophobicContact CD2-CD2 4.27Å; F270-F357 AromaticContact CE1-CD2 3.43Å; F270-F357 HydrophobicContact CE1-CD2 3.43Å; F270-F357 VanDerWaalsContact CE1-CD2 3.43Å; F270-F357 AromaticContact CE1-CE2 3.7Å; F270-F357 HydrophobicContact CE1-CE2 3.7Å; F270-F357 HydrophobicContact CE2-CB 4.12Å; F270-F357 AromaticContact CE2-CD2 3.8Å; F270-F357 HydrophobicContact CE2-CD2 3.8Å; F270-F357 HydrophobicContact CE2-CG 4.35Å; F270-F357 HydrophobicContact CG-CD2 4.34Å; F270-F357 HydrophobicContact CZ-CB 4.48Å; F270-F357 AromaticContact CZ-CD2 3.37Å; F270-F357 HydrophobicContact CZ-CD2 3.37Å; F270-F357 AromaticContact CZ-CE2 3.97Å; F270-F357 HydrophobicContact CZ-CE2 3.97Å; F270-F357 HydrophobicContact CZ-CG 4.22Å; F270-I360 HydrophobicContact CB-CD1 3.56Å; F270-I360 HydrophobicContact CB-CG2 4.26Å; F270-W409 HydrophobicContact CE1-CB 4.25Å; F270-W409 AromaticContact CE1-CD2 3.73Å; F270-W409 HydrophobicContact CE1-CD2 3.73Å; F270-W409 AromaticContact CE1-CE3 3.92Å; F270-W409 HydrophobicContact CE1-CE3 3.92Å; F270-W409 AromaticContact CE1-CG 3.89Å; F270-W409 HydrophobicContact CE1-CG 3.89Å; F270-W409 HydrophobicContact CZ-CD2 4.16Å; F270-W409 AromaticContact CZ-CE3 3.84Å; F270-W409 HydrophobicContact CZ-CE3 3.84Å; F270-W409 HydrophobicContact CZ-CZ3 4.23Å
271T94.1Very high90.9Very high8 Ų818.2 Ų18.25%0.0499%0.088CC..Hα-helixtrans-63-43.5179.5-43.40000111.5L267 C268 C269 A274 I275 V302 P307 Y356L267-T271 PolarHBondContact O-N 3.07Å; L267-T271 PolarHBondContact O-OG1 2.82Å; C268-T271 PolarHBondContact O-N 3.12Å; C269-T271 PolarHBondContact O-N 3.22Å; T271-A274 WeakPolarHBondContact O-CB 3.24Å; T271-A274 PolarHBondContact O-N 3.1Å; T271-I275 HydrophobicContact CG2-CD1 4.23Å; T271-I275 WeakPolarHBondContact O-CG1 3.39Å; T271-I275 PolarHBondContact O-N 3.44Å; T271-V302 HydrophobicContact CG2-CG1 4.36Å; T271-P307 WeakPolarHBondContact OG1-CG 3.42Å; T271-Y356 PolarHBondContact OG1-OH 3.36Å
272W94Very high90.2Very high0 Ų017 Ų170%08%0.082CC..Hα-helixtrans-68.6-37.1179-83111.3000112.6I225 S228 L229 C268 C269 F270 A274 I275 E276 W304I225-W272 HydrophobicContact CG2-CE3 4.28Å; I225-W272 HydrophobicContact CG2-CZ3 4.32Å; S228-W272 VanDerWaalsContact CB-CH2 3.45Å; S228-W272 VanDerWaalsContact CB-CZ2 3.46Å; L229-W272 HydrophobicContact CB-CB 4.1Å; L229-W272 HydrophobicContact CD1-CB 3.77Å; C268-W272 WeakPolarHBondContact O-CB 3.31Å; C268-W272 PolarHBondContact O-N 3.4Å; C269-W272 PolarHBondContact O-N 3.5Å; F270-W272 PolarHBondContact O-N 2.03Å; W272-A274 VanDerWaalsContact C-N 3.3Å; W272-A274 PolarHBondContact O-N 2.7Å; W272-I275 HydrophobicContact CD2-CD1 4.36Å; W272-I275 HydrophobicContact CE3-CB 4.24Å; W272-I275 HydrophobicContact CE3-CD1 4.07Å; W272-I275 HydrophobicContact CE3-CG2 4.08Å; W272-I275 HydrophobicContact CZ3-CD1 4.21Å; W272-I275 HydrophobicContact CZ3-CG2 4Å; W272-I275 PolarHBondContact O-N 3.45Å; W272-E276 VanDerWaalsContact O-CB 3.29Å; W272-E276 WeakPolarHBondContact O-CB 3.24Å; W272-E276 PolarHBondContact O-N 2.93Å; W272-W304 AromaticContact CE2-CE2 3.94Å; W272-W304 AromaticContact CE2-NE1 3.7Å; W272-W304 AromaticContact CZ2-CD1 3.67Å; W272-W304 AromaticContact CZ2-NE1 3.32Å; W272-W304 VanDerWaalsContact CZ2-NE1 3.32Å; W272-W304 AromaticContact NE1-CD2 3.71Å; W272-W304 AromaticContact NE1-CE2 3.33Å; W272-W304 VanDerWaalsContact NE1-CE2 3.33Å; W272-W304 AromaticContact NE1-CZ2 3.59Å; W272-W304 AromaticContact NE1-NE1 3.54Å
273M91.6Very high89.4Confident2 Ų219.5 Ų19.51%0.0110%0.095CC..Hα-helixtrans-63.4-37171.8-69.7-176.9-60.200111.5L229 C269 F270 E276 A277 G406 Q434L229-M273 HydrophobicContact CD1-CG 3.62Å; L229-M273 HydrophobicContact CD2-CG 4.09Å; C269-M273 HydrophobicContact CB-CE 4.36Å; C269-M273 WeakPolarHBondContact O-CB 3.23Å; C269-M273 WeakPolarHBondContact O-CE 3.29Å; C269-M273 VanDerWaalsContact O-CG 3.24Å; C269-M273 WeakPolarHBondContact O-CG 3.36Å; C269-M273 PolarHBondContact O-N 3.45Å; F270-M273 HydrophobicContact CD1-CE 3.42Å; F270-M273 VanDerWaalsContact CD1-CE 3.42Å; F270-M273 HydrophobicContact CE1-CE 4.02Å; F270-M273 HydrophobicContact CG-CE 4.41Å; F270-M273 PolarHBondContact O-N 3.12Å; M273-E276 PolarHBondContact O-N 3.32Å; M273-A277 WeakPolarHBondContact O-CB 3.4Å; M273-A277 PolarHBondContact O-N 2.99Å; M273-G406 WeakPolarHBondContact SD-CA 3.18Å; M273-Q434 PolarHBondContact SD-NE2 2.83Å
274A91.7Very high88.5Confident15 Ų1523.5 Ų23.512%0.12412%0.116CC..Hα-helixtrans-66.6-43.317300000113F270 T271 W272 E276 A277 L278 I360 F363 N364F270-A274 PolarHBondContact O-N 3.2Å; T271-A274 WeakPolarHBondContact O-CB 3.24Å; T271-A274 PolarHBondContact O-N 3.1Å; W272-A274 VanDerWaalsContact C-N 3.3Å; W272-A274 PolarHBondContact O-N 2.7Å; A274-E276 VanDerWaalsContact C-N 3.3Å; A274-E276 PolarHBondContact O-N 2.97Å; A274-A277 WeakPolarHBondContact O-CB 3.45Å; A274-A277 PolarHBondContact O-N 3.2Å; A274-L278 WeakPolarHBondContact O-CB 3.29Å; A274-L278 PolarHBondContact O-N 3.33Å; A274-I360 HydrophobicContact CB-CG2 4.09Å; A274-F363 HydrophobicContact CB-CD1 4.07Å; A274-F363 HydrophobicContact CB-CE1 4.13Å; A274-N364 VanDerWaalsContact CA-OD1 3.29Å; A274-N364 WeakPolarHBondContact CA-OD1 3.4Å
275I91.6Very high87.4Confident9 Ų924.1 Ų24.15%0.04612%0.122CC..Hα-helixtrans-61.3-42.7175.4-72.2167.5000110.6I225 T271 W272 L278 H279 L299 V302I225-I275 HydrophobicContact CG2-CG2 4.22Å; T271-I275 HydrophobicContact CG2-CD1 4.23Å; T271-I275 WeakPolarHBondContact O-CG1 3.39Å; T271-I275 PolarHBondContact O-N 3.44Å; W272-I275 HydrophobicContact CD2-CD1 4.36Å; W272-I275 HydrophobicContact CE3-CB 4.24Å; W272-I275 HydrophobicContact CE3-CD1 4.07Å; W272-I275 HydrophobicContact CE3-CG2 4.08Å; W272-I275 HydrophobicContact CZ3-CD1 4.21Å; W272-I275 HydrophobicContact CZ3-CG2 4Å; W272-I275 PolarHBondContact O-N 3.45Å; I275-L278 PolarHBondContact O-N 3.31Å; I275-H279 WeakPolarHBondContact O-CB 3.46Å; I275-H279 PolarHBondContact O-N 3.38Å; I275-L299 WeakPolarHBondContact CD1-O 3.12Å; I275-L299 HydrophobicContact CG1-CD2 4.31Å; I275-L299 HydrophobicContact CG2-CB 4.2Å; I275-L299 HydrophobicContact CG2-CD1 3.76Å; I275-L299 HydrophobicContact CG2-CD2 3.92Å; I275-L299 HydrophobicContact CG2-CG 4.18Å; I275-V302 HydrophobicContact CD1-CG1 4.47Å
276E88Confident86Confident6 Ų629.4 Ų29.43%0.02815%0.145CC..Hα-helixtrans-64.7-43.9177.2-176.2176.6-134.500111.9I225 H226 L229 W272 M273 A274 L278 H279 L280 L404I225-E276 HydrophobicContact CG2-CB 4.04Å; I225-E276 HydrophobicContact CG2-CG 4.46Å; H226-E276 IonicContact CE1-OE1 2.62Å; H226-E276 PolarHBondContact CE1-OE1 2.88Å; H226-E276 IonicContact CG-OE1 2.79Å; H226-E276 IonicContact ND1-OE1 2.56Å; H226-E276 PolarHBondContact ND1-OE1 3.45Å; L229-E276 WeakPolarHBondContact CD2-OE2 3.46Å; W272-E276 VanDerWaalsContact O-CB 3.29Å; W272-E276 WeakPolarHBondContact O-CB 3.24Å; W272-E276 PolarHBondContact O-N 2.93Å; M273-E276 PolarHBondContact O-N 3.32Å; A274-E276 VanDerWaalsContact C-N 3.3Å; A274-E276 PolarHBondContact O-N 2.97Å; E276-L278 PolarHBondContact O-N 2.8Å; E276-H279 PolarHBondContact O-N 3.38Å; E276-L280 WeakPolarHBondContact O-CB 3.49Å; E276-L280 PolarHBondContact O-N 3.06Å; E276-L404 HydrophobicContact CG-CD2 3.79Å; E276-L404 WeakPolarHBondContact OE1-CD2 3.25Å; E276-L404 VanDerWaalsContact OE1-CG 3.27Å; E276-L404 WeakPolarHBondContact OE1-CG 3.43Å; E276-L404 WeakPolarHBondContact OE2-CD2 3.09Å; E276-L404 VanDerWaalsContact OE2-O 3.07Å
277A88.3Confident84.2Confident0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-55.9-50.1172.700000111.2M273 A274 H279 L280 Y281 I367 M405M273-A277 WeakPolarHBondContact O-CB 3.4Å; M273-A277 PolarHBondContact O-N 2.99Å; A274-A277 WeakPolarHBondContact O-CB 3.45Å; A274-A277 PolarHBondContact O-N 3.2Å; A277-H279 VanDerWaalsContact C-N 3.33Å; A277-H279 PolarHBondContact O-N 3.3Å; A277-L280 PolarHBondContact O-N 3.12Å; A277-Y281 PolarHBondContact O-N 3.48Å; A277-I367 HydrophobicContact CB-CB 4.44Å; A277-I367 HydrophobicContact CB-CD1 3.99Å; A277-I367 HydrophobicContact CB-CG2 4.27Å; A277-I367 WeakPolarHBondContact O-CG2 3.28Å; A277-M405 HydrophobicContact CB-CE 3.42Å; A277-M405 VanDerWaalsContact CB-CE 3.42Å
278L87.9Confident82.2Confident66 Ų6640.1 Ų40.135%0.34620%0.202SC..Hα-helixtrans-60.4-42177.1-179.863.2000112A274 I275 E276 Y281 L282 F363A274-L278 WeakPolarHBondContact O-CB 3.29Å; A274-L278 PolarHBondContact O-N 3.33Å; I275-L278 PolarHBondContact O-N 3.31Å; E276-L278 PolarHBondContact O-N 2.8Å; L278-Y281 WeakPolarHBondContact O-CB 3.49Å; L278-Y281 PolarHBondContact O-N 3.33Å; L278-L282 HydrophobicContact CG-CD1 4.4Å; L278-L282 WeakPolarHBondContact O-CG 3.25Å; L278-L282 PolarHBondContact O-N 3.27Å; L278-F363 HydrophobicContact CB-CE1 4.49Å; L278-F363 HydrophobicContact CB-CZ 4.24Å; L278-F363 HydrophobicContact CD1-CZ 4.42Å
279H85Confident79.8Confident13 Ų1347.8 Ų47.86%0.0624%0.243CC..Hα-helixtrans-62.4-43.7178-173.961.8000111.6S222 I225 I275 E276 A277 Y281 L282 L283 Y295S222-H279 WeakPolarHBondContact CA-NE2 3.45Å; S222-H279 WeakPolarHBondContact CB-NE2 3.1Å; I225-H279 HydrophobicContact CD1-CB 3.78Å; I225-H279 VanDerWaalsContact CD1-CG 3.42Å; I275-H279 WeakPolarHBondContact O-CB 3.46Å; I275-H279 PolarHBondContact O-N 3.38Å; E276-H279 PolarHBondContact O-N 3.38Å; A277-H279 VanDerWaalsContact C-N 3.33Å; A277-H279 PolarHBondContact O-N 3.3Å; H279-Y281 PolarHBondContact O-N 3.46Å; H279-L282 PolarHBondContact O-N 3.17Å; H279-L283 WeakPolarHBondContact NE2-CD1 3.33Å; H279-L283 WeakPolarHBondContact O-CG 3.19Å; H279-L283 PolarHBondContact O-N 3.22Å; H279-Y295 AromaticContact ND1-CE1 3.91Å; H279-Y295 PolarHBondContact ND1-OH 2.79Å
280L80.9Confident77.8Confident26 Ų2650.9 Ų50.914%0.13626%0.262CS..Hα-helixtrans-62.6-41.8175.9-175.366.9000112.2E276 A277 L282 L283 L284 V371 L401 M405E276-L280 WeakPolarHBondContact O-CB 3.49Å; E276-L280 PolarHBondContact O-N 3.06Å; A277-L280 PolarHBondContact O-N 3.12Å; L280-L282 VanDerWaalsContact C-N 3.35Å; L280-L282 PolarHBondContact O-N 3.27Å; L280-L283 PolarHBondContact O-N 3.44Å; L280-L284 HydrophobicContact CD1-CD1 3.61Å; L280-L284 HydrophobicContact CD1-CG 4.08Å; L280-L284 HydrophobicContact CG-CD1 3.96Å; L280-L284 PolarHBondContact O-N 3.46Å; L280-V371 HydrophobicContact CD2-CG1 4.2Å; L280-V371 HydrophobicContact CD2-CG2 4.36Å; L280-V371 HydrophobicContact CG-CG2 4.33Å; L280-L401 HydrophobicContact CD1-CD2 4.5Å; L280-L401 HydrophobicContact CD2-CD2 3.81Å; L280-M405 HydrophobicContact CD2-SD 4.11Å
281Y83.2Confident76.1Confident85 Ų8560.7 Ų60.733%0.33330%0.301SS..Hα-helixtrans-58-47.5174.9174.3-96.8000111.7A277 L278 H279 L283 I285A277-Y281 PolarHBondContact O-N 3.48Å; L278-Y281 WeakPolarHBondContact O-CB 3.49Å; L278-Y281 PolarHBondContact O-N 3.33Å; H279-Y281 PolarHBondContact O-N 3.46Å; Y281-L283 VanDerWaalsContact C-N 3.3Å; Y281-L283 PolarHBondContact O-N 3.22Å; Y281-I285 HydrophobicContact CD2-CB 4.45Å; Y281-I285 HydrophobicContact CD2-CD1 3.7Å; Y281-I285 HydrophobicContact CE2-CB 4.24Å; Y281-I285 HydrophobicContact CE2-CD1 3.7Å; Y281-I285 HydrophobicContact CE2-CG2 4.22Å; Y281-I285 PolarHBondContact O-N 3.42Å; Y281-I285 VanDerWaalsContact O-N 3.08Å
282L81.2Confident74.5Confident29 Ų2966.2 Ų66.215%0.15232%0.321CS..Hα-helixtrans-61.9-40.3176.5-67.4172.2000111L278 H279 L280 K286 F288L278-L282 HydrophobicContact CG-CD1 4.4Å; L278-L282 WeakPolarHBondContact O-CG 3.25Å; L278-L282 PolarHBondContact O-N 3.27Å; H279-L282 PolarHBondContact O-N 3.17Å; L280-L282 VanDerWaalsContact C-N 3.35Å; L280-L282 PolarHBondContact O-N 3.27Å; L282-K286 HydrophobicContact CD2-CB 4.44Å; L282-K286 HydrophobicContact CD2-CD 4.11Å; L282-K286 CarbonylContact O-C 3.56Å; L282-F288 HydrophobicContact CB-CE1 3.93Å; L282-F288 HydrophobicContact CB-CZ 3.93Å
283L75.4Confident72.7Confident74 Ų7474.1 Ų74.139%0.38736%0.356SS..Hα-helixtrans-65.3-42179.4-72.5165.7000114.7H279 L280 Y281 F288H279-L283 WeakPolarHBondContact NE2-CD1 3.33Å; H279-L283 WeakPolarHBondContact O-CG 3.19Å; H279-L283 PolarHBondContact O-N 3.22Å; L280-L283 PolarHBondContact O-N 3.44Å; Y281-L283 VanDerWaalsContact C-N 3.3Å; Y281-L283 PolarHBondContact O-N 3.22Å; L283-F288 HydrophobicContact CB-CE2 4.08Å; L283-F288 HydrophobicContact CB-CZ 4.3Å; L283-F288 HydrophobicContact CD2-CD2 4.49Å; L283-F288 HydrophobicContact CD2-CE2 3.31Å; L283-F288 HydrophobicContact CD2-CZ 3.63Å; L283-F288 HydrophobicContact CG-CE2 3.88Å; L283-F288 HydrophobicContact CG-CZ 3.87Å
284L72.7Confident71.7Confident84 Ų8477.8 Ų77.844%0.4438%0.381SS..Hα-helixtrans-97.9-27.9-168.5-67.6179.3000114.6L280 V371L280-L284 HydrophobicContact CD1-CD1 3.61Å; L280-L284 HydrophobicContact CD1-CG 4.08Å; L280-L284 HydrophobicContact CG-CD1 3.96Å; L280-L284 PolarHBondContact O-N 3.46Å; L284-V371 HydrophobicContact CD1-CG1 3.5Å; L284-V371 VanDerWaalsContact CD1-CG1 3.5Å; L284-V371 HydrophobicContact CD1-CG2 4.46Å
285I71.4Confident71.1Confident61 Ų6179.4 Ų79.431%0.31338%0.384SS..THydrogen-bonded Turntrans-110.3-44.6-172.8-65.1171.7000111.2Y281 V287 A370 V371Y281-I285 HydrophobicContact CD2-CB 4.45Å; Y281-I285 HydrophobicContact CD2-CD1 3.7Å; Y281-I285 HydrophobicContact CE2-CB 4.24Å; Y281-I285 HydrophobicContact CE2-CD1 3.7Å; Y281-I285 HydrophobicContact CE2-CG2 4.22Å; Y281-I285 PolarHBondContact O-N 3.42Å; Y281-I285 VanDerWaalsContact O-N 3.08Å; I285-V287 PolarHBondContact O-N 2.81Å; I285-A370 HydrophobicContact CD1-CB 3.94Å; I285-V371 HydrophobicContact CD1-CG2 4.37Å
286K65.1Low70.3Confident111 Ų11182 Ų8248%0.48340%0.397SS..SBendtrans-94.389.3-177.3-165.2170.4-177.9168.40109.8L282 F288L282-K286 HydrophobicContact CD2-CB 4.44Å; L282-K286 HydrophobicContact CD2-CD 4.11Å; L282-K286 CarbonylContact O-C 3.56Å; K286-F288 PolarHBondContact O-N 3.37Å
287V54.4Low69.8Low138 Ų13887 Ų8784%0.83642%0.424SS*.  trans-44.1111.8176.2-177.70000109.7I285 N289I285-V287 PolarHBondContact O-N 2.81Å; V287-N289 PolarHBondContact O-N 3.39Å; V287-N289 VanDerWaalsContact O-N 3.16Å
288F51.2Low69.7Low108 Ų10893.5 Ų93.547%0.47445%0.452SS..  trans-64.9118.1-170.7-71-81.1000111.9L282 L283 K286L282-F288 HydrophobicContact CB-CE1 3.93Å; L282-F288 HydrophobicContact CB-CZ 3.93Å; L283-F288 HydrophobicContact CB-CE2 4.08Å; L283-F288 HydrophobicContact CB-CZ 4.3Å; L283-F288 HydrophobicContact CD2-CD2 4.49Å; L283-F288 HydrophobicContact CD2-CE2 3.31Å; L283-F288 HydrophobicContact CD2-CZ 3.63Å; L283-F288 HydrophobicContact CG-CE2 3.88Å; L283-F288 HydrophobicContact CG-CZ 3.87Å; K286-F288 PolarHBondContact O-N 3.37Å
289N44.1Very low69.6Low160 Ų16091.3 Ų91.386%0.85644%0.441SS*.  trans-132.440151.7-162.926.1000110.4V287V287-N289 PolarHBondContact O-N 3.39Å; V287-N289 VanDerWaalsContact O-N 3.16Å
290T51.3Low69.7Low66 Ų6692.7 Ų92.741%0.40545%0.452SS..  trans-136.495.7-177.9-31.40000110.5Y292T290-Y292 HydrophobicContact CG2-CD2 4.26Å; T290-Y292 HydrophobicContact CG2-CE1 3.95Å; T290-Y292 HydrophobicContact CG2-CE2 3.6Å; T290-Y292 VanDerWaalsContact CG2-CZ 3.43Å; T290-Y292 PolarHBondContact O-N 2.65Å
291Y54.5Low70.1Confident214 Ų21497.2 Ų97.284%0.83948%0.476SS*.  trans-79.7107.7171.3-178.3-95.5000109.1
292Y61.6Low70.6Confident123 Ų12396.3 Ų96.348%0.48248%0.479SS..  trans-91113.3173.6-65.5-81.6000109.6T290 C294 Y295T290-Y292 HydrophobicContact CG2-CD2 4.26Å; T290-Y292 HydrophobicContact CG2-CE1 3.95Å; T290-Y292 HydrophobicContact CG2-CE2 3.6Å; T290-Y292 VanDerWaalsContact CG2-CZ 3.43Å; T290-Y292 PolarHBondContact O-N 2.65Å; Y292-C294 PolarHBondContact O-N 3.5Å; Y292-Y295 WeakPolarHBondContact O-CB 3.14Å; Y292-Y295 PolarHBondContact O-N 3.5Å
293K56.1Low71.1Confident167 Ų16795 Ų9573%0.72647%0.472SS*.THydrogen-bonded Turntrans-58.9134.4174.6-164.4178-178.3-179.60110.2Y295K293-Y295 VanDerWaalsContact C-N 3.26Å; K293-Y295 PolarHBondContact O-N 2.84Å
294C70.4Confident72Confident78 Ų7894.5 Ų94.553%0.52747%0.465SS..THydrogen-bonded Turntrans56.730.8-179.4-590000114.9Y292 L296 L297 K298Y292-C294 PolarHBondContact O-N 3.5Å; C294-L296 PolarHBondContact O-N 3.1Å; C294-L297 HydrophobicContact CB-CB 4.39Å; C294-L297 PolarHBondContact O-N 3.19Å; C294-K298 PolarHBondContact O-N 3.45Å; C294-K298 VanDerWaalsContact O-N 3.15Å
295Y78.7Confident73Confident49 Ų4991.6 Ų91.619%0.19246%0.455CS..Hα-helixtrans-51.7-48.7-179.6178-109.2000113.8T221 H279 Y292 K293 L297 K298 L299T221-Y295 HydrophobicContact CG2-CD1 3.63Å; T221-Y295 HydrophobicContact CG2-CE1 3.79Å; H279-Y295 AromaticContact ND1-CE1 3.91Å; H279-Y295 PolarHBondContact ND1-OH 2.79Å; Y292-Y295 WeakPolarHBondContact O-CB 3.14Å; Y292-Y295 PolarHBondContact O-N 3.5Å; K293-Y295 VanDerWaalsContact C-N 3.26Å; K293-Y295 PolarHBondContact O-N 2.84Å; Y295-L297 VanDerWaalsContact C-N 3.34Å; Y295-L297 PolarHBondContact O-N 3.34Å; Y295-K298 PolarHBondContact O-N 3.36Å; Y295-L299 HydrophobicContact CD1-CD1 3.96Å; Y295-L299 HydrophobicContact CD2-CD1 4.48Å; Y295-L299 HydrophobicContact CE1-CD1 3.42Å; Y295-L299 VanDerWaalsContact CE1-CD1 3.42Å; Y295-L299 HydrophobicContact CE1-CG 4.43Å; Y295-L299 HydrophobicContact CE2-CD1 3.99Å; Y295-L299 HydrophobicContact CE2-CG 4.29Å; Y295-L299 HydrophobicContact CG-CD1 4.47Å; Y295-L299 VanDerWaalsContact CZ-CD1 3.45Å; Y295-L299 WeakPolarHBondContact O-CG 3.31Å; Y295-L299 PolarHBondContact O-N 2.99Å
296L75.1Confident74.1Confident63 Ų6392.1 Ų92.133%0.3346%0.458SS..Hα-helixtrans-63.3-38.1-179.6-172.170.5000112.7I225 C294 L299 S300I225-L296 HydrophobicContact CG1-CD1 4.24Å; C294-L296 PolarHBondContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 2.92Å; L296-S300 WeakPolarHBondContact O-CB 3.4Å; L296-S300 PolarHBondContact O-N 3.34Å
297L78.3Confident75.5Confident113 Ų11386.8 Ų86.859%0.59244%0.435SS*.Hα-helixtrans-67.1-42.2179.4-175.4139.5000111C294 Y295 S300 L301C294-L297 HydrophobicContact CB-CB 4.39Å; C294-L297 PolarHBondContact O-N 3.19Å; Y295-L297 VanDerWaalsContact C-N 3.34Å; Y295-L297 PolarHBondContact O-N 3.34Å; L297-S300 PolarHBondContact O-N 3.17Å; L297-L301 HydrophobicContact CD2-CD1 4.21Å; L297-L301 WeakPolarHBondContact O-CB 3.3Å; L297-L301 PolarHBondContact O-N 3.24Å
298K85.2Confident77.4Confident135 Ų13581.7 Ų81.759%0.58741%0.407SS*.Hα-helixtrans-62-44.5175.1-68.7-179.5178.2-177.30111.9C294 Y295 L301 V302C294-K298 PolarHBondContact O-N 3.45Å; C294-K298 VanDerWaalsContact O-N 3.15Å; Y295-K298 PolarHBondContact O-N 3.36Å; K298-L301 PolarHBondContact O-N 3.4Å; K298-V302 WeakPolarHBondContact O-CG2 3.06Å; K298-V302 PolarHBondContact O-N 2.76Å; K298-V302 VanDerWaalsContact O-N 3.14Å
299L86.5Confident79.5Confident20 Ų2081.5 Ų81.511%0.10541%0.41CS..Hα-helixtrans-63.9-42176.7-70.9-178.5000112.3I225 I275 Y295 L296 L301 V302 G303I225-L299 HydrophobicContact CD1-CD1 3.99Å; I225-L299 HydrophobicContact CG1-CD1 4.49Å; I275-L299 WeakPolarHBondContact CD1-O 3.12Å; I275-L299 HydrophobicContact CG1-CD2 4.31Å; I275-L299 HydrophobicContact CG2-CB 4.2Å; I275-L299 HydrophobicContact CG2-CD1 3.76Å; I275-L299 HydrophobicContact CG2-CD2 3.92Å; I275-L299 HydrophobicContact CG2-CG 4.18Å; Y295-L299 HydrophobicContact CD1-CD1 3.96Å; Y295-L299 HydrophobicContact CD2-CD1 4.48Å; Y295-L299 HydrophobicContact CE1-CD1 3.42Å; Y295-L299 VanDerWaalsContact CE1-CD1 3.42Å; Y295-L299 HydrophobicContact CE1-CG 4.43Å; Y295-L299 HydrophobicContact CE2-CD1 3.99Å; Y295-L299 HydrophobicContact CE2-CG 4.29Å; Y295-L299 HydrophobicContact CG-CD1 4.47Å; Y295-L299 VanDerWaalsContact CZ-CD1 3.45Å; Y295-L299 WeakPolarHBondContact O-CG 3.31Å; Y295-L299 PolarHBondContact O-N 2.99Å; L296-L299 PolarHBondContact O-N 2.92Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-L301 PolarHBondContact O-N 2.84Å; L299-V302 PolarHBondContact O-N 2.89Å; L299-G303 PolarHBondContact O-N 3.07Å
300S86.4Confident81.7Confident43 Ų4375.6 Ų75.630%0.30138%0.378SS..Hα-helixtrans-62.7-40.7176.8-171.30000111.9L296 L297 V302 G303 W304L296-S300 WeakPolarHBondContact O-CB 3.4Å; L296-S300 PolarHBondContact O-N 3.34Å; L297-S300 PolarHBondContact O-N 3.17Å; S300-V302 VanDerWaalsContact C-N 3.29Å; S300-V302 PolarHBondContact O-N 2.86Å; S300-G303 PolarHBondContact O-N 3.3Å; S300-W304 PolarHBondContact O-N 2.88Å
301L90.4Very high83.6Confident121 Ų12172.9 Ų72.963%0.63436%0.361SS*.Hα-helixtrans-60.7-39175.5-129.6150.2000111.8L297 K298 L299 G305L297-L301 HydrophobicContact CD2-CD1 4.21Å; L297-L301 WeakPolarHBondContact O-CB 3.3Å; L297-L301 PolarHBondContact O-N 3.24Å; K298-L301 PolarHBondContact O-N 3.4Å; L299-L301 VanDerWaalsContact C-N 3.33Å; L299-L301 PolarHBondContact O-N 2.84Å; L301-G305 WeakPolarHBondContact O-CA 3.37Å; L301-G305 PolarHBondContact O-N 2.66Å
302V92.1Very high85.3Confident66 Ų6665.7 Ų65.740%0.434%0.342SS..Hα-helixtrans-71.6-49.7175.1172.90000111.2T271 I275 K298 L299 S300 W304 I306T271-V302 HydrophobicContact CG2-CG1 4.36Å; I275-V302 HydrophobicContact CD1-CG1 4.47Å; K298-V302 WeakPolarHBondContact O-CG2 3.06Å; K298-V302 PolarHBondContact O-N 2.76Å; K298-V302 VanDerWaalsContact O-N 3.14Å; L299-V302 PolarHBondContact O-N 2.89Å; S300-V302 VanDerWaalsContact C-N 3.29Å; S300-V302 PolarHBondContact O-N 2.86Å; V302-W304 PolarHBondContact O-N 3.31Å; V302-I306 HydrophobicContact CG1-CD1 3.76Å; V302-I306 HydrophobicContact CG1-CG1 4.47Å; V302-I306 PolarHBondContact O-N 3.5Å
303G91.6Very high86.7Confident0 Ų064.7 Ų64.70%034%0.344CS..Hα-helixtrans-61.7-39.3-174.200000114.3L299 S300 P307L299-G303 PolarHBondContact O-N 3.07Å; S300-G303 PolarHBondContact O-N 3.3Å; G303-P307 WeakPolarHBondContact O-CD 3.34Å; G303-P307 WeakPolarHBondContact O-CG 3.46Å
304W94.9Very high88.1Confident64 Ų6457.1 Ų57.124%0.24231%0.312CS..Hα-helixtrans-98.4-30.8178.1-61.6109.4000112.9A232 L235 Y264 C268 W272 S300 V302 A308A232-W304 HydrophobicContact CB-CH2 4.05Å; A232-W304 HydrophobicContact CB-CZ3 4.45Å; L235-W304 HydrophobicContact CD1-CH2 4.41Å; L235-W304 HydrophobicContact CD1-CZ3 4.2Å; Y264-W304 HydrophobicContact CE1-CE3 4.36Å; Y264-W304 HydrophobicContact CE1-CZ3 4.49Å; Y264-W304 PolarHBondContact OH-O 2.9Å; C268-W304 HydrophobicContact CB-CE3 4.18Å; C268-W304 HydrophobicContact CB-CZ3 3.99Å; W272-W304 AromaticContact CE2-CE2 3.94Å; W272-W304 AromaticContact CE2-NE1 3.7Å; W272-W304 AromaticContact CZ2-CD1 3.67Å; W272-W304 AromaticContact CZ2-NE1 3.32Å; W272-W304 VanDerWaalsContact CZ2-NE1 3.32Å; W272-W304 AromaticContact NE1-CD2 3.71Å; W272-W304 AromaticContact NE1-CE2 3.33Å; W272-W304 VanDerWaalsContact NE1-CE2 3.33Å; W272-W304 AromaticContact NE1-CZ2 3.59Å; W272-W304 AromaticContact NE1-NE1 3.54Å; S300-W304 PolarHBondContact O-N 2.88Å; V302-W304 PolarHBondContact O-N 3.31Å; W304-A308 VanDerWaalsContact O-CB 3.23Å; W304-A308 WeakPolarHBondContact O-CB 2.98Å; W304-A308 PolarHBondContact O-N 3Å
305G94.1Very high88.8Confident23 Ų2356.6 Ų56.624%0.23730%0.304CS..Hα-helixtrans-76.4-45.1-173.200000113.8L301 A308 I309L301-G305 WeakPolarHBondContact O-CA 3.37Å; L301-G305 PolarHBondContact O-N 2.66Å; G305-A308 PolarHBondContact O-N 3.38Å; G305-A308 VanDerWaalsContact O-N 3.17Å; G305-I309 VanDerWaalsContact O-CG1 3.31Å; G305-I309 WeakPolarHBondContact O-CG1 3.28Å; G305-I309 PolarHBondContact O-N 2.97Å
306I93.5Very high89Confident72 Ų7259 Ų5937%0.36933%0.327SS..Hα-helixtrans-60.2-51.4179.9-66.6178.7000110.9V302 A308 I309 I310 Y356V302-I306 HydrophobicContact CG1-CD1 3.76Å; V302-I306 HydrophobicContact CG1-CG1 4.47Å; V302-I306 PolarHBondContact O-N 3.5Å; I306-A308 VanDerWaalsContact C-N 3.28Å; I306-A308 PolarHBondContact O-N 2.72Å; I306-I309 PolarHBondContact O-N 2.88Å; I306-I310 HydrophobicContact CG2-CD1 3.98Å; I306-I310 WeakPolarHBondContact O-CG1 3.35Å; I306-I310 PolarHBondContact O-N 2.76Å; I306-Y356 HydrophobicContact CG2-CE2 4.11Å
307P95Very high89.3Confident0 Ų058.9 Ų58.90%033%0.328CS..Hα-helixtrans-56.1-40.3173.2-3140.3000113.6Y264 L267 C268 T271 G303 I309 I310 V311Y264-P307 HydrophobicContact CD2-CB 3.8Å; Y264-P307 HydrophobicContact CE2-CB 3.74Å; L267-P307 HydrophobicContact CB-CB 3.73Å; L267-P307 HydrophobicContact CB-CG 3.97Å; C268-P307 HydrophobicContact CB-CG 4.41Å; C268-P307 WeakPolarHBondContact SG-CB 3.21Å; T271-P307 WeakPolarHBondContact OG1-CG 3.42Å; G303-P307 WeakPolarHBondContact O-CD 3.34Å; G303-P307 WeakPolarHBondContact O-CG 3.46Å; P307-I309 PolarHBondContact O-N 3.41Å; P307-I310 PolarHBondContact O-N 3.22Å; P307-V311 PolarHBondContact O-N 2.64Å
308A94.6Very high88.8Confident31 Ų3157.3 Ų57.326%0.25632%0.317SS..Hα-helixtrans-65.4-41.8-178.200000111.2Y264 W304 G305 I306 S312Y264-A308 HydrophobicContact CE2-CB 3.77Å; W304-A308 VanDerWaalsContact O-CB 3.23Å; W304-A308 WeakPolarHBondContact O-CB 2.98Å; W304-A308 PolarHBondContact O-N 3Å; G305-A308 PolarHBondContact O-N 3.38Å; G305-A308 VanDerWaalsContact O-N 3.17Å; I306-A308 VanDerWaalsContact C-N 3.28Å; I306-A308 PolarHBondContact O-N 2.72Å; A308-S312 WeakPolarHBondContact O-CB 3.35Å; A308-S312 PolarHBondContact O-N 2.78Å; A308-S312 PolarHBondContact O-OG 2.92Å
309I94.1Very high87.8Confident103 Ų10358.4 Ų58.453%0.52833%0.329SS..Hα-helixtrans-61.6-47.6176.9-68.4164.7000110.2G305 I306 P307 V311 S312 I313G305-I309 VanDerWaalsContact O-CG1 3.31Å; G305-I309 WeakPolarHBondContact O-CG1 3.28Å; G305-I309 PolarHBondContact O-N 2.97Å; I306-I309 PolarHBondContact O-N 2.88Å; P307-I309 PolarHBondContact O-N 3.41Å; I309-V311 PolarHBondContact O-N 3Å; I309-S312 PolarHBondContact O-N 2.96Å; I309-I313 HydrophobicContact CG2-CD1 3.65Å; I309-I313 HydrophobicContact CG2-CG1 4.39Å; I309-I313 WeakPolarHBondContact O-CB 3.49Å; I309-I313 VanDerWaalsContact O-CG1 3.23Å; I309-I313 WeakPolarHBondContact O-CG1 3.49Å; I309-I313 PolarHBondContact O-N 3.41Å
310I91.8Very high86.6Confident36 Ų3663.5 Ų63.519%0.18536%0.361CS..Hα-helixtrans-59.1-51.8-179-65.3166.6000110.7L267 I306 P307 S314 Y356L267-I310 HydrophobicContact CD1-CB 4.09Å; L267-I310 HydrophobicContact CD1-CD1 4.18Å; L267-I310 HydrophobicContact CD1-CG2 3.82Å; I306-I310 HydrophobicContact CG2-CD1 3.98Å; I306-I310 WeakPolarHBondContact O-CG1 3.35Å; I306-I310 PolarHBondContact O-N 2.76Å; P307-I310 PolarHBondContact O-N 3.22Å; I310-S314 PolarHBondContact O-N 3.46Å; I310-S314 VanDerWaalsContact O-N 3.16Å; I310-S314 PolarHBondContact O-OG 3.42Å; I310-Y356 HydrophobicContact CD1-CD2 4.02Å; I310-Y356 HydrophobicContact CD1-CE2 3.82Å
311V91.8Very high85.6Confident9 Ų965.9 Ų65.96%0.05537%0.366CS..Hα-helixtrans-68.8-38.5-178.4176.10000111.5A260 Y264 L267 P307 I309 S314 L315A260-V311 HydrophobicContact CB-CG1 4.27Å; Y264-V311 HydrophobicContact CD2-CG2 4.46Å; L267-V311 HydrophobicContact CD1-CG2 4.2Å; P307-V311 PolarHBondContact O-N 2.64Å; I309-V311 PolarHBondContact O-N 3Å; V311-S314 WeakPolarHBondContact O-CB 3.02Å; V311-S314 PolarHBondContact O-N 3.31Å; V311-S314 VanDerWaalsContact O-N 3.15Å; V311-L315 HydrophobicContact CG1-CD1 4.1Å; V311-L315 HydrophobicContact CG1-CG 4.41Å; V311-L315 WeakPolarHBondContact O-CG 3.42Å; V311-L315 PolarHBondContact O-N 3.38Å
312S89.9Confident84.8Confident63 Ų6365.5 Ų65.544%0.44136%0.361SS..Hα-helixtrans-63-44.6177.9-60.60000112.1A308 I309 S314 L315 C316A308-S312 WeakPolarHBondContact O-CB 3.35Å; A308-S312 PolarHBondContact O-N 2.78Å; A308-S312 PolarHBondContact O-OG 2.92Å; I309-S312 PolarHBondContact O-N 2.96Å; S312-S314 PolarHBondContact O-N 2.89Å; S312-L315 PolarHBondContact O-N 3.44Å; S312-C316 PolarHBondContact O-N 3.05Å; S312-C316 PolarHBondContact O-SG 3.3Å
313I89.5Confident84.2Confident103 Ų10363.7 Ų63.753%0.52835%0.348SS..Hα-helixtrans-58.9-41.8174.7-69.1167.3000110I309 L315 C316 V317I309-I313 HydrophobicContact CG2-CD1 3.65Å; I309-I313 HydrophobicContact CG2-CG1 4.39Å; I309-I313 WeakPolarHBondContact O-CB 3.49Å; I309-I313 VanDerWaalsContact O-CG1 3.23Å; I309-I313 WeakPolarHBondContact O-CG1 3.49Å; I309-I313 PolarHBondContact O-N 3.41Å; I313-L315 PolarHBondContact O-N 3.19Å; I313-C316 PolarHBondContact O-N 2.75Å; I313-V317 WeakPolarHBondContact O-CG2 3.46Å; I313-V317 PolarHBondContact O-N 3.27Å; I313-V317 VanDerWaalsContact O-N 3.14Å
314S86.2Confident83.9Confident7 Ų763.9 Ų63.95%0.04935%0.348CS..Hα-helixtrans-66.2-38-178.7-510000112.2I310 V311 S312 Y348I310-S314 PolarHBondContact O-N 3.46Å; I310-S314 VanDerWaalsContact O-N 3.16Å; I310-S314 PolarHBondContact O-OG 3.42Å; V311-S314 WeakPolarHBondContact O-CB 3.02Å; V311-S314 PolarHBondContact O-N 3.31Å; V311-S314 VanDerWaalsContact O-N 3.15Å; S312-S314 PolarHBondContact O-N 2.89Å; S314-Y348 WeakPolarHBondContact CB-OH 3.36Å; S314-Y348 WeakPolarHBondContact OG-CE2 3.11Å; S314-Y348 PolarHBondContact OG-OH 3.24Å
315L85.2Confident83.2Confident68 Ų6861 Ų6136%0.35634%0.339SS..Hα-helixtrans-71.1-35.3172.8-70.8171.5000112.6A260 V311 S312 I313 V317 K318 Y324A260-L315 HydrophobicContact CB-CD1 4.3Å; A260-L315 HydrophobicContact CB-CD2 4.05Å; A260-L315 HydrophobicContact CB-CG 4.49Å; V311-L315 HydrophobicContact CG1-CD1 4.1Å; V311-L315 HydrophobicContact CG1-CG 4.41Å; V311-L315 WeakPolarHBondContact O-CG 3.42Å; V311-L315 PolarHBondContact O-N 3.38Å; S312-L315 PolarHBondContact O-N 3.44Å; I313-L315 PolarHBondContact O-N 3.19Å; L315-V317 VanDerWaalsContact C-N 3.28Å; L315-V317 PolarHBondContact O-N 3.31Å; L315-K318 WeakPolarHBondContact O-CB 3.33Å; L315-K318 PolarHBondContact O-N 3.38Å; L315-Y324 HydrophobicContact CD2-CD2 3.94Å; L315-Y324 HydrophobicContact CD2-CE2 3.97Å; L315-Y324 HydrophobicContact CG-CE2 4.28Å
316C83.8Confident82.5Confident100 Ų10063.3 Ų63.368%0.67635%0.348SS*.Hα-helixtrans-64.5-32.4176.5-75.10000112.7S312 I313 K318S312-C316 PolarHBondContact O-N 3.05Å; S312-C316 PolarHBondContact O-SG 3.3Å; I313-C316 PolarHBondContact O-N 2.75Å; C316-K318 PolarHBondContact O-N 2.95Å
317V81.5Confident81.3Confident59 Ų5961.7 Ų61.736%0.35834%0.342SS..G310 helixtrans-84.62.1179.1-175.70000112I313 L315 N319 V320 K321 F323I313-V317 WeakPolarHBondContact O-CG2 3.46Å; I313-V317 PolarHBondContact O-N 3.27Å; I313-V317 VanDerWaalsContact O-N 3.14Å; L315-V317 VanDerWaalsContact C-N 3.28Å; L315-V317 PolarHBondContact O-N 3.31Å; V317-N319 PolarHBondContact O-N 2.75Å; V317-N319 VanDerWaalsContact O-N 3.11Å; V317-V320 HydrophobicContact CG1-CB 4.05Å; V317-V320 PolarHBondContact O-N 3.02Å; V317-K321 PolarHBondContact O-N 3.44Å; V317-F323 HydrophobicContact CB-CE2 4.12Å; V317-F323 HydrophobicContact CG1-CE2 4Å
318K67.9Low79.9Confident81 Ų8167.7 Ų67.735%0.35237%0.37SS..G310 helixtrans-49.6-40.5178.4179.2-170.1-179.2162.60113.7E256 L315 C316 V320 K321E256-K318 VanDerWaalsContact CD-CE 3.42Å; E256-K318 WeakPolarHBondContact OE1-CD 3.41Å; E256-K318 WeakPolarHBondContact OE1-CE 3.06Å; E256-K318 IonicContact OE1-NZ 3.8Å; E256-K318 PolarHBondContact OE1-NZ 3.47Å; E256-K318 WeakPolarHBondContact OE2-CE 3.25Å; E256-K318 IonicContact OE2-NZ 3.76Å; E256-K318 PolarHBondContact OE2-NZ 3.23Å; L315-K318 WeakPolarHBondContact O-CB 3.33Å; L315-K318 PolarHBondContact O-N 3.38Å; C316-K318 PolarHBondContact O-N 2.95Å; K318-V320 PolarHBondContact O-N 3.23Å; K318-V320 VanDerWaalsContact O-N 3.17Å; K318-K321 CarbonylContact O-C 3.53Å; K318-K321 PolarHBondContact O-N 3.21Å
319N63.5Low78.1Confident157 Ų15769.3 Ų69.384%0.8437%0.374SS*.G310 helixtrans-65.9-16.1-179.3-65.2-40.9000113.6V317V317-N319 PolarHBondContact O-N 2.75Å; V317-N319 VanDerWaalsContact O-N 3.11Å
320V61.7Low75.6Confident128 Ų12868.9 Ų68.978%0.77638%0.376SS*.THydrogen-bonded Turntrans-103-39.7179.2-176.30000110.8V317 K318V317-V320 HydrophobicContact CG1-CB 4.05Å; V317-V320 PolarHBondContact O-N 3.02Å; K318-V320 PolarHBondContact O-N 3.23Å; K318-V320 VanDerWaalsContact O-N 3.17Å
321K64.8Low73.5Confident92 Ų9268.6 Ų68.640%0.437%0.374SS..  trans-151126.8179-165.5171.8-179-169.50110.3V317 K318 F323 D345V317-K321 PolarHBondContact O-N 3.44Å; K318-K321 CarbonylContact O-C 3.53Å; K318-K321 PolarHBondContact O-N 3.21Å; K321-F323 HydrophobicContact CB-CE1 4.31Å; K321-F323 HydrophobicContact CB-CE2 4.26Å; K321-F323 HydrophobicContact CB-CZ 3.96Å; K321-F323 HydrophobicContact CD-CE1 3.79Å; K321-F323 HydrophobicContact CD-CZ 4.1Å; K321-F323 HydrophobicContact CG-CE1 4.08Å; K321-F323 HydrophobicContact CG-CZ 4.24Å; K321-F323 WeakPolarHBondContact O-CD2 3.38Å; K321-F323 PolarHBondContact O-N 2.96Å; K321-D345 WeakPolarHBondContact CE-OD2 3.34Å; K321-D345 VanDerWaalsContact NZ-CG 3.27Å; K321-D345 IonicContact NZ-OD1 2.98Å; K321-D345 PolarHBondContact NZ-OD1 3.04Å; K321-D345 IonicContact NZ-OD2 3.86Å; K321-D345 PolarHBondContact NZ-OD2 3.19Å
322Q73.6Confident70.9Confident114 Ų11470 Ų7053%0.53339%0.385SS..  trans-81.1108.3177.4-176.2169.2-16.100110Y324 T344Q322-Y324 VanDerWaalsContact CG-O 3.22Å; Q322-Y324 WeakPolarHBondContact CG-O 3.25Å; Q322-Y324 PolarHBondContact NE2-O 3.48Å; Q322-Y324 VanDerWaalsContact NE2-O 3.1Å; Q322-T344 PolarHBondContact O-OG1 3.49Å
323F79.9Confident68.5Low28 Ų2873.9 Ų73.912%0.12340%0.4CS..  trans-91.4-20.6-179.1-64.2-66.9000114.1V317 K321 I343 T344 D345 Y348V317-F323 HydrophobicContact CB-CE2 4.12Å; V317-F323 HydrophobicContact CG1-CE2 4Å; K321-F323 HydrophobicContact CB-CE1 4.31Å; K321-F323 HydrophobicContact CB-CE2 4.26Å; K321-F323 HydrophobicContact CB-CZ 3.96Å; K321-F323 HydrophobicContact CD-CE1 3.79Å; K321-F323 HydrophobicContact CD-CZ 4.1Å; K321-F323 HydrophobicContact CG-CE1 4.08Å; K321-F323 HydrophobicContact CG-CZ 4.24Å; K321-F323 WeakPolarHBondContact O-CD2 3.38Å; K321-F323 PolarHBondContact O-N 2.96Å; F323-I343 WeakPolarHBondContact O-CA 3.21Å; F323-T344 PolarHBondContact O-N 2.87Å; F323-T344 PolarHBondContact O-OG1 2.8Å; F323-D345 HydrophobicContact CD1-CB 4.1Å; F323-Y348 HydrophobicContact CB-CD1 4.47Å; F323-Y348 HydrophobicContact CB-CG 4.49Å; F323-Y348 HydrophobicContact CD1-CD1 4.38Å; F323-Y348 AromaticContact CD1-CD2 3.55Å; F323-Y348 HydrophobicContact CD1-CD2 3.55Å; F323-Y348 HydrophobicContact CD1-CE2 4.27Å; F323-Y348 AromaticContact CD1-CG 3.63Å; F323-Y348 HydrophobicContact CD1-CG 3.63Å; F323-Y348 HydrophobicContact CD2-CD2 4.49Å; F323-Y348 AromaticContact CE1-CD2 3.71Å; F323-Y348 HydrophobicContact CE1-CD2 3.71Å; F323-Y348 HydrophobicContact CE1-CG 4.09Å; F323-Y348 AromaticContact CG-CD2 3.97Å; F323-Y348 HydrophobicContact CG-CD2 3.97Å; F323-Y348 HydrophobicContact CG-CE2 4.24Å; F323-Y348 HydrophobicContact CG-CG 4.21Å; F323-Y348 HydrophobicContact CZ-CD2 4.26Å
324Y84.8Confident65.9Low3 Ų371.2 Ų71.21%0.01239%0.389CS..EExtended strand (participates in β ladder)trans-122.8142.7-176.7-56.2-74.1000109.8A259 A260 H263 L315 Q322 I343 Y348A259-Y324 HydrophobicContact CB-CD1 4.14Å; A259-Y324 HydrophobicContact CB-CG 4.48Å; A260-Y324 HydrophobicContact CB-CD2 4.25Å; A260-Y324 HydrophobicContact CB-CE1 4.46Å; A260-Y324 HydrophobicContact CB-CE2 4.21Å; A260-Y324 HydrophobicContact CB-CG 4.4Å; H263-Y324 HydrophobicContact CB-CE1 3.92Å; H263-Y324 AromaticContact ND1-CE1 3.54Å; H263-Y324 AromaticContact ND1-CZ 3.61Å; H263-Y324 PolarHBondContact ND1-OH 3.44Å; L315-Y324 HydrophobicContact CD2-CD2 3.94Å; L315-Y324 HydrophobicContact CD2-CE2 3.97Å; L315-Y324 HydrophobicContact CG-CE2 4.28Å; Q322-Y324 VanDerWaalsContact CG-O 3.22Å; Q322-Y324 WeakPolarHBondContact CG-O 3.25Å; Q322-Y324 PolarHBondContact NE2-O 3.48Å; Q322-Y324 VanDerWaalsContact NE2-O 3.1Å; Y324-I343 HydrophobicContact CD1-CG1 3.95Å; Y324-I343 HydrophobicContact CE1-CG1 3.85Å; Y324-Y348 PolarHBondContact OH-OH 3.08Å
325G80.6Confident63.6Low4 Ų479.1 Ų79.14%0.04143%0.431CS..EExtended strand (participates in β ladder)trans173.3-161.9179.200000112.5T327 W342G325-T327 PolarHBondContact O-N 2.93Å; G325-W342 PolarHBondContact N-O 3.43Å; G325-W342 PolarHBondContact O-N 3.06Å
326V79.7Confident61.3Low72 Ų7281.9 Ų81.944%0.43644%0.442SS..EExtended strand (participates in β ladder)trans-75.4123.9173.9-177.40000108.4C255C255-V326 HydrophobicContact CB-CG2 4.36Å
327T67.8Low59.7Low38 Ų3880.5 Ų80.523%0.23343%0.43CS..EExtended strand (participates in β ladder)trans-110.2120.5171.7-57.80000107.9G325 I340 I343G325-T327 PolarHBondContact O-N 2.93Å; T327-I340 PolarHBondContact N-O 2.87Å; T327-I340 PolarHBondContact O-N 3Å; T327-I343 PolarHBondContact OG1-O 3.37Å
328E64.6Low58.7Low125 Ų12580.4 Ų80.458%0.58443%0.428SS*.EExtended strand (participates in β ladder)trans-80.5119.9174.8-65.1-172.4177.800109.9
329L58Low58.9Low65 Ų6578.2 Ų78.234%0.3442%0.423SS..EExtended strand (participates in β ladder)trans-90.9101.7167.1-76154.8000107.6M331 N338 I340L329-M331 PolarHBondContact O-N 2.63Å; L329-N338 PolarHBondContact N-O 3.47Å; L329-I340 HydrophobicContact CD1-CD1 3.49Å; L329-I340 VanDerWaalsContact CD1-CD1 3.49Å; L329-I340 HydrophobicContact CD1-CG1 3.71Å; L329-I340 HydrophobicContact CD1-CG2 4.07Å; L329-I340 HydrophobicContact CG-CD1 4.41Å; L329-I340 HydrophobicContact CG-CG1 4.44Å
330T42.3Very low59.8Low95 Ų9572.4 Ų72.458%0.58339%0.391SS*.EExtended strand (participates in β ladder)trans-74.1115.6179.151.50000110.7
331M45.9Very low61Low30 Ų3066.3 Ų66.315%0.14835%0.354CS..  trans-68148.5169.1-64.9-76109.500110.5W186 L329 D333 Q336W186-M331 HydrophobicContact CB-CE 4.41Å; W186-M331 HydrophobicContact CD2-CE 3.11Å; W186-M331 HydrophobicContact CD2-SD 3.94Å; W186-M331 HydrophobicContact CE3-CE 3.35Å; W186-M331 HydrophobicContact CE3-SD 3.71Å; W186-M331 HydrophobicContact CG-CE 3.6Å; W186-M331 HydrophobicContact CG-SD 4.31Å; W186-M331 HydrophobicContact CH2-CE 3.88Å; W186-M331 HydrophobicContact CZ2-CE 3.63Å; W186-M331 HydrophobicContact CZ3-CE 3.73Å; W186-M331 HydrophobicContact CZ3-SD 4.21Å; L329-M331 PolarHBondContact O-N 2.63Å; M331-D333 VanDerWaalsContact C-N 3.31Å; M331-D333 PolarHBondContact O-N 3.27Å; M331-Q336 WeakPolarHBondContact CG-O 3.12Å
332S38.5Very low62Low39 Ų3963.9 Ų63.927%0.27334%0.343SS..SBendtrans-68.7-20.6-176.5-143.40000115.9P180P180-S332 WeakPolarHBondContact CB-OG 3.19Å; P180-S332 WeakPolarHBondContact CD-OG 3.16Å; P180-S332 WeakPolarHBondContact CG-OG 3.22Å
333D38.1Very low62.4Low144 Ų14458.9 Ų58.977%0.7732%0.319SS*.SBendtrans-1526.8-165.8-93-42.5000117.2M331M331-D333 VanDerWaalsContact C-N 3.31Å; M331-D333 PolarHBondContact O-N 3.27Å
334T35.4Very low62.2Low47 Ų4760.2 Ų60.229%0.28833%0.33SS..SBendtrans-118.81.6-172.847.10000117E183 Q336E183-T334 WeakPolarHBondContact OE2-CG2 3.36Å; T334-Q336 PolarHBondContact O-N 3.02Å
335N38.8Very low61.8Low172 Ų17261.4 Ų61.492%0.9234%0.337SS*.SBendtrans50.914.8-169-73-25.7000113.2
336Q37.3Very low61.2Low126 Ų12664 Ų6459%0.58935%0.35SS*.  trans-98.8103.2175.8-74.6-167.4-35.300108.3M331 T334M331-Q336 WeakPolarHBondContact CG-O 3.12Å; T334-Q336 PolarHBondContact O-N 3.02Å
337T49.1Very low60.9Low71 Ų7165.1 Ų65.144%0.43636%0.356SS..EExtended strand (participates in β ladder)trans-85.1111.6170.347.90000108.2S339T337-S339 PolarHBondContact O-N 3.5Å
338N60.3Low61.3Low57 Ų5763.9 Ų63.931%0.30535%0.348SS..EExtended strand (participates in β ladder)trans-84.4112.3166.3-72.6-31.1000107.5W186 L329W186-N338 HydrophobicContact CH2-CB 4.05Å; W186-N338 WeakPolarHBondContact CH2-ND2 3.13Å; W186-N338 VanDerWaalsContact CZ3-ND2 3.25Å; W186-N338 WeakPolarHBondContact CZ3-ND2 3.45Å; L329-N338 PolarHBondContact N-O 3.47Å
339S72.9Confident61.9Low35 Ų3561.3 Ų61.325%0.24534%0.335CS..EExtended strand (participates in β ladder)trans-81.6131.6176.3500000109.6A247 T337A247-S339 VanDerWaalsContact CB-O 3.22Å; A247-S339 WeakPolarHBondContact CB-O 3.32Å; T337-S339 PolarHBondContact O-N 3.5Å
340I82.5Confident62.8Low35 Ų3563.6 Ų63.618%0.17934%0.339CS..EExtended strand (participates in β ladder)trans-125.7154.8172.663.1161.5000110.2E244 T327 L329 W342E244-I340 HydrophobicContact CG-CG2 3.99Å; T327-I340 PolarHBondContact N-O 2.87Å; T327-I340 PolarHBondContact O-N 3Å; L329-I340 HydrophobicContact CD1-CD1 3.49Å; L329-I340 VanDerWaalsContact CD1-CD1 3.49Å; L329-I340 HydrophobicContact CD1-CG1 3.71Å; L329-I340 HydrophobicContact CD1-CG2 4.07Å; L329-I340 HydrophobicContact CG-CD1 4.41Å; L329-I340 HydrophobicContact CG-CG1 4.44Å; I340-W342 HydrophobicContact CD1-CB 4.18Å; I340-W342 HydrophobicContact CG1-CB 4.47Å; I340-W342 PolarHBondContact O-N 3.45Å
341C85.9Confident64.5Low0 Ų062.3 Ų62.30%034%0.335CS..EExtended strand (participates in β ladder)trans-85.7107.8173.7-61.80000111.1T243 A247 C255 I258 A259T243-C341 PolarHBondContact O-N 3.07Å; T243-C341 PolarHBondContact O-SG 3.24Å; T243-C341 VanDerWaalsContact O-SG 3.36Å; A247-C341 PolarHBondContact N-SG 2.93Å; C255-C341 WeakPolarHBondContact CA-SG 3.21Å; C255-C341 HydrophobicContact CB-CB 4.15Å; C255-C341 WeakPolarHBondContact CB-SG 3.38Å; C255-C341 WeakPolarHBondContact O-CB 3.4Å; C255-C341 WeakPolarHBondContact SG-CA 3.14Å; C255-C341 WeakPolarHBondContact SG-CB 3.19Å; C255-C341 CovalentContact SG-SG 2.03Å; C255-C341 PolarHBondContact SG-SG 3.41Å; I258-C341 HydrophobicContact CB-CB 4.45Å; I258-C341 HydrophobicContact CG2-CB 4.36Å; A259-C341 HydrophobicContact CB-CB 4.19Å
342W86.5Confident66.2Low41 Ų4164.6 Ų64.616%0.15535%0.347CS..EExtended strand (participates in β ladder)trans-149.8-173.9-179.9-162.8-119.5000113.3M262 L266 G325 I340 F349M262-W342 HydrophobicContact CB-CE3 4.37Å; M262-W342 HydrophobicContact CB-CZ3 3.79Å; M262-W342 HydrophobicContact CE-CE3 3.73Å; M262-W342 HydrophobicContact CE-CH2 3.85Å; M262-W342 HydrophobicContact CE-CZ3 3.38Å; M262-W342 HydrophobicContact CG-CE3 4.17Å; M262-W342 HydrophobicContact CG-CH2 4.34Å; M262-W342 HydrophobicContact CG-CZ3 3.46Å; M262-W342 VanDerWaalsContact CG-CZ3 3.46Å; M262-W342 HydrophobicContact SD-CE3 3.47Å; M262-W342 HydrophobicContact SD-CH2 4.35Å; M262-W342 HydrophobicContact SD-CZ3 3.33Å; M262-W342 WeakPolarHBondContact SD-CZ3 3.26Å; L266-W342 HydrophobicContact CD2-CH2 4.03Å; L266-W342 HydrophobicContact CD2-CZ2 4.38Å; G325-W342 PolarHBondContact N-O 3.43Å; G325-W342 PolarHBondContact O-N 3.06Å; I340-W342 HydrophobicContact CD1-CB 4.18Å; I340-W342 HydrophobicContact CG1-CB 4.47Å; I340-W342 PolarHBondContact O-N 3.45Å; W342-F349 HydrophobicContact CZ2-CE2 4.49Å
343I82.4Confident68.3Low9 Ų963.1 Ų63.15%0.04634%0.336CS..EExtended strand (participates in β ladder)trans-69.3127.6172.1-63.5168.8000108.3H263 F323 Y324 T327 Y348 F349 N353H263-I343 HydrophobicContact CB-CD1 4.46Å; F323-I343 WeakPolarHBondContact O-CA 3.21Å; Y324-I343 HydrophobicContact CD1-CG1 3.95Å; Y324-I343 HydrophobicContact CE1-CG1 3.85Å; T327-I343 PolarHBondContact OG1-O 3.37Å; I343-Y348 HydrophobicContact CD1-CD1 4.31Å; I343-Y348 HydrophobicContact CD1-CE1 4.04Å; I343-Y348 HydrophobicContact CG1-CE1 4.42Å; I343-Y348 HydrophobicContact CG2-CD1 3.68Å; I343-Y348 HydrophobicContact CG2-CE1 4.32Å; I343-F349 HydrophobicContact CD1-CD2 4.27Å; I343-F349 HydrophobicContact CG2-CB 4.11Å; I343-N353 WeakPolarHBondContact CD1-ND2 3.26Å
344T75.9Confident70.5Confident56 Ų5658.5 Ų58.534%0.34431%0.311SS..  trans-92.5-29.8-177.651.60000112.7Q322 F323Q322-T344 PolarHBondContact O-OG1 3.49Å; F323-T344 PolarHBondContact O-N 2.87Å; F323-T344 PolarHBondContact O-OG1 2.8Å
345D74.9Confident72.9Confident29 Ų2959.9 Ų59.916%0.15532%0.319CS..  trans-93.6115.9-176.1-172.8-104.4000112.2K321 F323 T347 Y348 F349K321-D345 WeakPolarHBondContact CE-OD2 3.34Å; K321-D345 VanDerWaalsContact NZ-CG 3.27Å; K321-D345 IonicContact NZ-OD1 2.98Å; K321-D345 PolarHBondContact NZ-OD1 3.04Å; K321-D345 IonicContact NZ-OD2 3.86Å; K321-D345 PolarHBondContact NZ-OD2 3.19Å; F323-D345 HydrophobicContact CD1-CB 4.1Å; D345-T347 PolarHBondContact O-N 2.92Å; D345-T347 PolarHBondContact OD1-N 3.32Å; D345-Y348 PolarHBondContact O-N 3.15Å; D345-Y348 VanDerWaalsContact OD1-CB 3.25Å; D345-Y348 WeakPolarHBondContact OD1-CB 3.36Å; D345-Y348 PolarHBondContact OD1-N 3.24Å; D345-F349 PolarHBondContact O-N 2.54Å
346D68.9Low75.3Confident59 Ų5953.6 Ų53.632%0.31628%0.283SS..Hα-helixtrans-71.1-34.8-177.1-40.2-103.4000111.9K94 Y348 F349 Y350K94-D346 WeakPolarHBondContact CE-OD2 3.42Å; K94-D346 IonicContact NZ-OD1 2.92Å; K94-D346 PolarHBondContact NZ-OD1 2.99Å; K94-D346 IonicContact NZ-OD2 2.63Å; K94-D346 PolarHBondContact NZ-OD2 3.31Å; D346-Y348 VanDerWaalsContact C-N 3.27Å; D346-Y348 PolarHBondContact O-N 3.32Å; D346-F349 PolarHBondContact O-N 3.28Å; D346-Y350 HydrophobicContact CB-CD2 3.91Å; D346-Y350 HydrophobicContact CB-CE2 3.9Å; D346-Y350 WeakPolarHBondContact O-CB 3.34Å; D346-Y350 WeakPolarHBondContact O-CD2 3.46Å; D346-Y350 PolarHBondContact O-N 2.83Å
347T72.3Confident77.7Confident94 Ų9448.7 Ų48.758%0.57726%0.26SS*.Hα-helixtrans-59.7-43.9177-550000110D345 S351D345-T347 PolarHBondContact O-N 2.92Å; D345-T347 PolarHBondContact OD1-N 3.32Å; T347-S351 WeakPolarHBondContact O-CB 3.14Å; T347-S351 PolarHBondContact O-N 2.95Å; T347-S351 PolarHBondContact O-OG 3.36Å
348Y77.5Confident79.4Confident13 Ų1347.6 Ų47.65%0.05125%0.253CS..Hα-helixtrans-63.4-45.2173.9178.6-89.6000112.1H263 S314 F323 Y324 I343 D345 D346 L352H263-Y348 AromaticContact CE1-CE1 3.86Å; H263-Y348 AromaticContact CE1-CZ 3.95Å; H263-Y348 PolarHBondContact CE1-OH 3.4Å; S314-Y348 WeakPolarHBondContact CB-OH 3.36Å; S314-Y348 WeakPolarHBondContact OG-CE2 3.11Å; S314-Y348 PolarHBondContact OG-OH 3.24Å; F323-Y348 HydrophobicContact CB-CD1 4.47Å; F323-Y348 HydrophobicContact CB-CG 4.49Å; F323-Y348 HydrophobicContact CD1-CD1 4.38Å; F323-Y348 AromaticContact CD1-CD2 3.55Å; F323-Y348 HydrophobicContact CD1-CD2 3.55Å; F323-Y348 HydrophobicContact CD1-CE2 4.27Å; F323-Y348 AromaticContact CD1-CG 3.63Å; F323-Y348 HydrophobicContact CD1-CG 3.63Å; F323-Y348 HydrophobicContact CD2-CD2 4.49Å; F323-Y348 AromaticContact CE1-CD2 3.71Å; F323-Y348 HydrophobicContact CE1-CD2 3.71Å; F323-Y348 HydrophobicContact CE1-CG 4.09Å; F323-Y348 AromaticContact CG-CD2 3.97Å; F323-Y348 HydrophobicContact CG-CD2 3.97Å; F323-Y348 HydrophobicContact CG-CE2 4.24Å; F323-Y348 HydrophobicContact CG-CG 4.21Å; F323-Y348 HydrophobicContact CZ-CD2 4.26Å; Y324-Y348 PolarHBondContact OH-OH 3.08Å; I343-Y348 HydrophobicContact CD1-CD1 4.31Å; I343-Y348 HydrophobicContact CD1-CE1 4.04Å; I343-Y348 HydrophobicContact CG1-CE1 4.42Å; I343-Y348 HydrophobicContact CG2-CD1 3.68Å; I343-Y348 HydrophobicContact CG2-CE1 4.32Å; D345-Y348 PolarHBondContact O-N 3.15Å; D345-Y348 VanDerWaalsContact OD1-CB 3.25Å; D345-Y348 WeakPolarHBondContact OD1-CB 3.36Å; D345-Y348 PolarHBondContact OD1-N 3.24Å; D346-Y348 VanDerWaalsContact C-N 3.27Å; D346-Y348 PolarHBondContact O-N 3.32Å; Y348-L352 HydrophobicContact CD2-CD1 3.62Å; Y348-L352 HydrophobicContact CE2-CD1 3.28Å; Y348-L352 HydrophobicContact CG-CD1 4.49Å; Y348-L352 PolarHBondContact O-N 3.02Å
349F77.5Confident80.8Confident70 Ų7050.4 Ų50.431%0.30727%0.267SS..Iπ-helixtrans-57.6-54.1175.7178.5-97.9000112W342 I343 D345 D346 N353 L354W342-F349 HydrophobicContact CZ2-CE2 4.49Å; I343-F349 HydrophobicContact CD1-CD2 4.27Å; I343-F349 HydrophobicContact CG2-CB 4.11Å; D345-F349 PolarHBondContact O-N 2.54Å; D346-F349 PolarHBondContact O-N 3.28Å; F349-N353 HydrophobicContact CD2-CB 4.19Å; F349-N353 HydrophobicContact CE2-CB 4.39Å; F349-N353 WeakPolarHBondContact O-CA 3.33Å; F349-N353 WeakPolarHBondContact O-CB 3.49Å; F349-N353 PolarHBondContact O-N 3.26Å; F349-L354 PolarHBondContact O-N 2.97Å; F349-L354 VanDerWaalsContact O-N 3.1Å
350Y75.6Confident81.6Confident113 Ų11349.6 Ų49.644%0.44326%0.26SS..Iπ-helixtrans-67.1-41.4179.9-72.5-67.1000112.4D346 L354D346-Y350 HydrophobicContact CB-CD2 3.91Å; D346-Y350 HydrophobicContact CB-CE2 3.9Å; D346-Y350 WeakPolarHBondContact O-CB 3.34Å; D346-Y350 WeakPolarHBondContact O-CD2 3.46Å; D346-Y350 PolarHBondContact O-N 2.83Å; Y350-L354 HydrophobicContact CD1-CD2 3.74Å; Y350-L354 HydrophobicContact CE1-CD2 4.33Å; Y350-L354 WeakPolarHBondContact O-CB 3.36Å
351S77.6Confident81.8Confident69 Ų6951.1 Ų51.148%0.48327%0.266SS..Iπ-helixtrans-74.3-38.7-173.7-54.60000113T347 V355T347-S351 WeakPolarHBondContact O-CB 3.14Å; T347-S351 PolarHBondContact O-N 2.95Å; T347-S351 PolarHBondContact O-OG 3.36Å; S351-V355 VanDerWaalsContact O-CB 3.27Å; S351-V355 WeakPolarHBondContact O-CB 3.24Å; S351-V355 WeakPolarHBondContact O-CG2 3.41Å
352L82.2Confident82Confident78 Ų7856.3 Ų56.341%0.40829%0.292SS..Iπ-helixtrans-102.9-52.9-176-72.9170.5000112.1Y348 Y356Y348-L352 HydrophobicContact CD2-CD1 3.62Å; Y348-L352 HydrophobicContact CE2-CD1 3.28Å; Y348-L352 HydrophobicContact CG-CD1 4.49Å; Y348-L352 PolarHBondContact O-N 3.02Å; L352-Y356 WeakPolarHBondContact O-CB 3.07Å; L352-Y356 PolarHBondContact O-N 2.64Å
353N83.4Confident82.2Confident7 Ų758.8 Ų58.84%0.03730%0.304CS..Iπ-helixtrans-68.4-51.7-176.4-84.2-83.9000112H263 I343 F349 Y356 F357H263-N353 PolarHBondContact CD2-ND2 3.38Å; H263-N353 PolarHBondContact CD2-OD1 3.34Å; H263-N353 PolarHBondContact CE1-ND2 2.88Å; H263-N353 VanDerWaalsContact NE2-CG 3.28Å; H263-N353 PolarHBondContact NE2-ND2 3.46Å; H263-N353 PolarHBondContact NE2-OD1 2.81Å; I343-N353 WeakPolarHBondContact CD1-ND2 3.26Å; F349-N353 HydrophobicContact CD2-CB 4.19Å; F349-N353 HydrophobicContact CE2-CB 4.39Å; F349-N353 WeakPolarHBondContact O-CA 3.33Å; F349-N353 WeakPolarHBondContact O-CB 3.49Å; F349-N353 PolarHBondContact O-N 3.26Å; N353-Y356 PolarHBondContact O-N 2.82Å; N353-F357 VanDerWaalsContact O-CB 3.29Å; N353-F357 WeakPolarHBondContact O-CB 3.33Å; N353-F357 PolarHBondContact O-N 3.02Å
354L83.1Confident82.5Confident47 Ų4758.5 Ų58.525%0.24630%0.303CS..Iπ-helixtrans-67.8-41-175.8-176.366.2000112F349 Y350 F357 T358 F413F349-L354 PolarHBondContact O-N 2.97Å; F349-L354 VanDerWaalsContact O-N 3.1Å; Y350-L354 HydrophobicContact CD1-CD2 3.74Å; Y350-L354 HydrophobicContact CE1-CD2 4.33Å; Y350-L354 WeakPolarHBondContact O-CB 3.36Å; L354-F357 HydrophobicContact CD1-CD1 4.47Å; L354-T358 VanDerWaalsContact O-CB 3.32Å; L354-T358 WeakPolarHBondContact O-CB 3.45Å; L354-T358 PolarHBondContact O-N 3.22Å; L354-T358 PolarHBondContact O-OG1 3.37Å; L354-F413 HydrophobicContact CD1-CD2 4.05Å; L354-F413 HydrophobicContact CD1-CE2 4.29Å
355V87.1Confident83.1Confident76 Ų7657.4 Ų57.446%0.46130%0.297SS..Hα-helixtrans-62.6-47.6176.1175.40000110.9S351 F357 T358 L359S351-V355 VanDerWaalsContact O-CB 3.27Å; S351-V355 WeakPolarHBondContact O-CB 3.24Å; S351-V355 WeakPolarHBondContact O-CG2 3.41Å; V355-F357 PolarHBondContact O-N 3.47Å; V355-T358 PolarHBondContact O-N 3.5Å; V355-L359 HydrophobicContact CG1-CD1 4.14Å; V355-L359 WeakPolarHBondContact O-CG 3.42Å; V355-L359 PolarHBondContact O-N 3.28Å
356Y89.3Confident83.7Confident41 Ų4158 Ų5816%0.16131%0.311CS..Hα-helixtrans-58.9-47.8178.9-171.2-90.6000111.7L267 F270 T271 I306 I310 L352 N353 L359 I360L267-Y356 HydrophobicContact CB-CE1 4.47Å; L267-Y356 HydrophobicContact CD2-CD1 3.48Å; L267-Y356 VanDerWaalsContact CD2-CD1 3.48Å; L267-Y356 HydrophobicContact CD2-CE1 3.84Å; L267-Y356 HydrophobicContact CD2-CG 3.97Å; F270-Y356 HydrophobicContact CB-CE1 4.14Å; F270-Y356 HydrophobicContact CD2-CD1 4.42Å; T271-Y356 PolarHBondContact OG1-OH 3.36Å; I306-Y356 HydrophobicContact CG2-CE2 4.11Å; I310-Y356 HydrophobicContact CD1-CD2 4.02Å; I310-Y356 HydrophobicContact CD1-CE2 3.82Å; L352-Y356 WeakPolarHBondContact O-CB 3.07Å; L352-Y356 PolarHBondContact O-N 2.64Å; N353-Y356 PolarHBondContact O-N 2.82Å; Y356-L359 PolarHBondContact O-N 3.32Å; Y356-I360 HydrophobicContact CD1-CD1 3.66Å; Y356-I360 HydrophobicContact CE1-CD1 3.13Å; Y356-I360 HydrophobicContact CE1-CG1 4.38Å; Y356-I360 PolarHBondContact O-N 3.47Å
357F85.9Confident84.6Confident22 Ų2255.9 Ų55.910%0.09630%0.299CS..Hα-helixtrans-58.6-48.6175.4171.8-105.9000112.2F270 N353 L354 V355 L359 I360 F361 W409F270-F357 AromaticContact CD1-CD2 3.9Å; F270-F357 HydrophobicContact CD1-CD2 3.9Å; F270-F357 HydrophobicContact CD1-CE2 4.29Å; F270-F357 HydrophobicContact CD2-CD2 4.27Å; F270-F357 AromaticContact CE1-CD2 3.43Å; F270-F357 HydrophobicContact CE1-CD2 3.43Å; F270-F357 VanDerWaalsContact CE1-CD2 3.43Å; F270-F357 AromaticContact CE1-CE2 3.7Å; F270-F357 HydrophobicContact CE1-CE2 3.7Å; F270-F357 HydrophobicContact CE2-CB 4.12Å; F270-F357 AromaticContact CE2-CD2 3.8Å; F270-F357 HydrophobicContact CE2-CD2 3.8Å; F270-F357 HydrophobicContact CE2-CG 4.35Å; F270-F357 HydrophobicContact CG-CD2 4.34Å; F270-F357 HydrophobicContact CZ-CB 4.48Å; F270-F357 AromaticContact CZ-CD2 3.37Å; F270-F357 HydrophobicContact CZ-CD2 3.37Å; F270-F357 AromaticContact CZ-CE2 3.97Å; F270-F357 HydrophobicContact CZ-CE2 3.97Å; F270-F357 HydrophobicContact CZ-CG 4.22Å; N353-F357 VanDerWaalsContact O-CB 3.29Å; N353-F357 WeakPolarHBondContact O-CB 3.33Å; N353-F357 PolarHBondContact O-N 3.02Å; L354-F357 HydrophobicContact CD1-CD1 4.47Å; V355-F357 PolarHBondContact O-N 3.47Å; F357-L359 VanDerWaalsContact C-N 3.32Å; F357-L359 PolarHBondContact O-N 2.83Å; F357-I360 PolarHBondContact O-N 2.98Å; F357-F361 HydrophobicContact CE1-CB 4.36Å; F357-F361 HydrophobicContact CE2-CB 4.4Å; F357-F361 HydrophobicContact CZ-CB 4.13Å; F357-F361 HydrophobicContact CZ-CD2 4.25Å; F357-F361 HydrophobicContact CZ-CG 4.35Å; F357-F361 WeakPolarHBondContact O-CB 3.46Å; F357-F361 PolarHBondContact O-N 3.47Å; F357-W409 HydrophobicContact CE2-CB 3.45Å; F357-W409 VanDerWaalsContact CE2-CB 3.45Å; F357-W409 HydrophobicContact CE2-CG 4.43Å; F357-W409 VanDerWaalsContact CZ-C 3.49Å; F357-W409 HydrophobicContact CZ-CB 3.73Å; F357-W409 WeakPolarHBondContact CZ-O 3.32Å
358T85.8Confident85.2Confident49 Ų4952.5 Ų52.530%0.30128%0.277SS..Hα-helixtrans-59.5-43.2-177.8-59.60000111.6L354 V355 I360 F361 I362L354-T358 VanDerWaalsContact O-CB 3.32Å; L354-T358 WeakPolarHBondContact O-CB 3.45Å; L354-T358 PolarHBondContact O-N 3.22Å; L354-T358 PolarHBondContact O-OG1 3.37Å; V355-T358 PolarHBondContact O-N 3.5Å; T358-I360 PolarHBondContact O-N 3.36Å; T358-F361 PolarHBondContact O-N 3.24Å; T358-I362 HydrophobicContact CG2-CD1 3.95Å; T358-I362 VanDerWaalsContact O-CG1 3.31Å; T358-I362 WeakPolarHBondContact O-CG1 3.33Å; T358-I362 PolarHBondContact O-N 3.32Å
359L89.8Confident85.5Confident115 Ų11558.1 Ų58.160%0.60231%0.306SS*.Hα-helixtrans-60.7-46.6176.9-70172000111.6V355 Y356 F357 F363V355-L359 HydrophobicContact CG1-CD1 4.14Å; V355-L359 WeakPolarHBondContact O-CG 3.42Å; V355-L359 PolarHBondContact O-N 3.28Å; Y356-L359 PolarHBondContact O-N 3.32Å; F357-L359 VanDerWaalsContact C-N 3.32Å; F357-L359 PolarHBondContact O-N 2.83Å; L359-F363 WeakPolarHBondContact O-CB 3.4Å; L359-F363 PolarHBondContact O-N 3.46Å; L359-F363 VanDerWaalsContact O-N 3.11Å
360I90.4Very high85.9Confident19 Ų1956.5 Ų56.510%0.09731%0.305CS..Hα-helixtrans-66.5-40.7178.6-72175.5000111.4F270 A274 Y356 F357 T358 F363 N364F270-I360 HydrophobicContact CB-CD1 3.56Å; F270-I360 HydrophobicContact CB-CG2 4.26Å; A274-I360 HydrophobicContact CB-CG2 4.09Å; Y356-I360 HydrophobicContact CD1-CD1 3.66Å; Y356-I360 HydrophobicContact CE1-CD1 3.13Å; Y356-I360 HydrophobicContact CE1-CG1 4.38Å; Y356-I360 PolarHBondContact O-N 3.47Å; F357-I360 PolarHBondContact O-N 2.98Å; T358-I360 PolarHBondContact O-N 3.36Å; I360-F363 PolarHBondContact O-N 3.05Å; I360-N364 WeakPolarHBondContact O-CB 3.27Å; I360-N364 PolarHBondContact O-N 2.71Å; I360-N364 PolarHBondContact O-OD1 3.02Å
361F86.8Confident86.2Confident67 Ų6751.1 Ų51.129%0.29428%0.284SS..Hα-helixtrans-62.1-45.4179.1177.5-101.3000112F357 T358 F363 N364 S365 T407 G410F357-F361 HydrophobicContact CE1-CB 4.36Å; F357-F361 HydrophobicContact CE2-CB 4.4Å; F357-F361 HydrophobicContact CZ-CB 4.13Å; F357-F361 HydrophobicContact CZ-CD2 4.25Å; F357-F361 HydrophobicContact CZ-CG 4.35Å; F357-F361 WeakPolarHBondContact O-CB 3.46Å; F357-F361 PolarHBondContact O-N 3.47Å; T358-F361 PolarHBondContact O-N 3.24Å; F361-F363 VanDerWaalsContact C-N 3.34Å; F361-F363 PolarHBondContact O-N 3.36Å; F361-N364 PolarHBondContact O-N 2.92Å; F361-S365 WeakPolarHBondContact O-CB 3.19Å; F361-S365 PolarHBondContact O-N 3.48Å; F361-S365 PolarHBondContact O-OG 3.47Å; F361-T407 HydrophobicContact CE2-CG2 4.5Å; F361-G410 VanDerWaalsContact CE2-CA 3.47Å
362I89.4Confident86.4Confident109 Ų10949 Ų4956%0.55927%0.271SS*.Hα-helixtrans-60.8-45.9175.8-68.6167.9000110.1T358 S365 G366T358-I362 HydrophobicContact CG2-CD1 3.95Å; T358-I362 VanDerWaalsContact O-CG1 3.31Å; T358-I362 WeakPolarHBondContact O-CG1 3.33Å; T358-I362 PolarHBondContact O-N 3.32Å; I362-S365 PolarHBondContact O-N 3.36Å; I362-G366 PolarHBondContact O-N 3.43Å
363F90.4Very high86.4Confident92 Ų9248 Ų4840%0.40427%0.271SS..Hα-helixtrans-60.2-50.8178.4176-105.1000112.3A274 L278 L359 I360 F361 S365 G366 I367A274-F363 HydrophobicContact CB-CD1 4.07Å; A274-F363 HydrophobicContact CB-CE1 4.13Å; L278-F363 HydrophobicContact CB-CE1 4.49Å; L278-F363 HydrophobicContact CB-CZ 4.24Å; L278-F363 HydrophobicContact CD1-CZ 4.42Å; L359-F363 WeakPolarHBondContact O-CB 3.4Å; L359-F363 PolarHBondContact O-N 3.46Å; L359-F363 VanDerWaalsContact O-N 3.11Å; I360-F363 PolarHBondContact O-N 3.05Å; F361-F363 VanDerWaalsContact C-N 3.34Å; F361-F363 PolarHBondContact O-N 3.36Å; F363-S365 PolarHBondContact O-N 3.08Å; F363-G366 PolarHBondContact O-N 2.98Å; F363-I367 HydrophobicContact CD1-CD1 4.12Å; F363-I367 HydrophobicContact CD2-CD1 4.33Å; F363-I367 HydrophobicContact CE1-CD1 3.51Å; F363-I367 HydrophobicContact CE2-CD1 3.76Å; F363-I367 HydrophobicContact CZ-CD1 3.32Å; F363-I367 PolarHBondContact O-N 3.37Å; F363-I367 VanDerWaalsContact O-N 3.1Å
364N89.7Confident86.1Confident3 Ų349.2 Ų49.22%0.01628%0.279CS..Hα-helixtrans-64-41179.8-72.56.4000111.7A274 I360 F361 I367 L368 M405A274-N364 VanDerWaalsContact CA-OD1 3.29Å; A274-N364 WeakPolarHBondContact CA-OD1 3.4Å; I360-N364 WeakPolarHBondContact O-CB 3.27Å; I360-N364 PolarHBondContact O-N 2.71Å; I360-N364 PolarHBondContact O-OD1 3.02Å; F361-N364 PolarHBondContact O-N 2.92Å; N364-I367 PolarHBondContact O-N 2.95Å; N364-L368 WeakPolarHBondContact O-CB 3.32Å; N364-L368 PolarHBondContact O-N 3.31Å; N364-M405 PolarHBondContact ND2-O 2.89Å; N364-M405 WeakPolarHBondContact O-CE 3.34Å
365S86.7Confident85.7Confident33 Ų3349.5 Ų49.523%0.23128%0.28CS..Hα-helixtrans-63.1-43177.5-63.10000111.8F361 I362 F363 I367 L368 M369F361-S365 WeakPolarHBondContact O-CB 3.19Å; F361-S365 PolarHBondContact O-N 3.48Å; F361-S365 PolarHBondContact O-OG 3.47Å; I362-S365 PolarHBondContact O-N 3.36Å; F363-S365 PolarHBondContact O-N 3.08Å; S365-I367 PolarHBondContact O-N 2.91Å; S365-L368 PolarHBondContact O-N 3.12Å; S365-M369 WeakPolarHBondContact O-CB 3.32Å; S365-M369 PolarHBondContact O-N 2.87Å
366G88.4Confident85Confident42 Ų4249.6 Ų49.643%0.43328%0.284SS..Hα-helixtrans-60.9-44.4175.700000112.5I362 F363 M369 A370I362-G366 PolarHBondContact O-N 3.43Å; F363-G366 PolarHBondContact O-N 2.98Å; G366-M369 PolarHBondContact O-N 3.38Å; G366-A370 PolarHBondContact O-N 3.25Å; G366-A370 VanDerWaalsContact O-N 3.08Å
367I87.7Confident84.3Confident14 Ų1455 Ų557%0.07231%0.308CS..Hα-helixtrans-65.3-46176.3-69.8175.1000111.6A277 F363 N364 S365 M369 A370 V371 M405A277-I367 HydrophobicContact CB-CB 4.44Å; A277-I367 HydrophobicContact CB-CD1 3.99Å; A277-I367 HydrophobicContact CB-CG2 4.27Å; A277-I367 WeakPolarHBondContact O-CG2 3.28Å; F363-I367 HydrophobicContact CD1-CD1 4.12Å; F363-I367 HydrophobicContact CD2-CD1 4.33Å; F363-I367 HydrophobicContact CE1-CD1 3.51Å; F363-I367 HydrophobicContact CE2-CD1 3.76Å; F363-I367 HydrophobicContact CZ-CD1 3.32Å; F363-I367 PolarHBondContact O-N 3.37Å; F363-I367 VanDerWaalsContact O-N 3.1Å; N364-I367 PolarHBondContact O-N 2.95Å; S365-I367 PolarHBondContact O-N 2.91Å; I367-M369 PolarHBondContact O-N 3.2Å; I367-A370 WeakPolarHBondContact O-CB 3.39Å; I367-A370 PolarHBondContact O-N 3.36Å; I367-A370 VanDerWaalsContact O-N 3.11Å; I367-V371 HydrophobicContact CG2-CG2 4.16Å; I367-V371 WeakPolarHBondContact O-CG2 3.08Å; I367-V371 PolarHBondContact O-N 3.23Å; I367-M405 HydrophobicContact CB-CE 4.08Å; I367-M405 HydrophobicContact CG2-CE 3.77Å
368L84.8Confident83.4Confident24 Ų2460.4 Ų60.413%0.12634%0.335CS..Hα-helixtrans-58.6-42.3179.8177.860.8000110.1N364 S365 V371 A372 M405 T407N364-L368 WeakPolarHBondContact O-CB 3.32Å; N364-L368 PolarHBondContact O-N 3.31Å; S365-L368 PolarHBondContact O-N 3.12Å; L368-V371 PolarHBondContact O-N 3.4Å; L368-A372 WeakPolarHBondContact O-CB 3.42Å; L368-A372 PolarHBondContact O-N 2.69Å; L368-M405 HydrophobicContact CB-CE 3.76Å; L368-M405 HydrophobicContact CB-SD 3.86Å; L368-M405 HydrophobicContact CD1-SD 3.62Å; L368-M405 HydrophobicContact CG-SD 4.23Å; L368-T407 HydrophobicContact CD2-CG2 3.92Å
369M85.3Confident82.3Confident130 Ų13063 Ų6364%0.6434%0.342SS*.Hα-helixtrans-63.4-41.3176.3-167.7-179.5-57.500112.4S365 G366 I367 S373S365-M369 WeakPolarHBondContact O-CB 3.32Å; S365-M369 PolarHBondContact O-N 2.87Å; G366-M369 PolarHBondContact O-N 3.38Å; I367-M369 PolarHBondContact O-N 3.2Å; M369-S373 VanDerWaalsContact O-CB 3.25Å; M369-S373 WeakPolarHBondContact O-CB 3.12Å; M369-S373 PolarHBondContact O-N 3.3Å; M369-S373 PolarHBondContact O-OG 3.1Å
370A85.8Confident80.7Confident36 Ų3666.9 Ų66.930%0.29836%0.355SS..Hα-helixtrans-64.7-45.6176.300000111.9I285 G366 I367 S373 S374I285-A370 HydrophobicContact CD1-CB 3.94Å; G366-A370 PolarHBondContact O-N 3.25Å; G366-A370 VanDerWaalsContact O-N 3.08Å; I367-A370 WeakPolarHBondContact O-CB 3.39Å; I367-A370 PolarHBondContact O-N 3.36Å; I367-A370 VanDerWaalsContact O-N 3.11Å; A370-S373 PolarHBondContact O-N 3.38Å; A370-S374 PolarHBondContact O-N 2.94Å
371V81.8Confident78.9Confident1 Ų171 Ų711%0.00639%0.385CS..Hα-helixtrans-64.3-47.9177.5169.20000110.9L280 L284 I285 I367 L368 S373 S374 I375L280-V371 HydrophobicContact CD2-CG1 4.2Å; L280-V371 HydrophobicContact CD2-CG2 4.36Å; L280-V371 HydrophobicContact CG-CG2 4.33Å; L284-V371 HydrophobicContact CD1-CG1 3.5Å; L284-V371 VanDerWaalsContact CD1-CG1 3.5Å; L284-V371 HydrophobicContact CD1-CG2 4.46Å; I285-V371 HydrophobicContact CD1-CG2 4.37Å; I367-V371 HydrophobicContact CG2-CG2 4.16Å; I367-V371 WeakPolarHBondContact O-CG2 3.08Å; I367-V371 PolarHBondContact O-N 3.23Å; L368-V371 PolarHBondContact O-N 3.4Å; V371-S373 VanDerWaalsContact C-N 3.31Å; V371-S373 PolarHBondContact O-N 2.86Å; V371-S374 WeakPolarHBondContact O-CB 3.49Å; V371-S374 PolarHBondContact O-N 3.09Å; V371-S374 VanDerWaalsContact O-N 3.15Å; V371-I375 HydrophobicContact CG1-CD1 3.8Å; V371-I375 HydrophobicContact CG1-CG1 4.46Å; V371-I375 WeakPolarHBondContact O-CG1 2.96Å; V371-I375 PolarHBondContact O-N 2.93Å
372A81Confident77.2Confident24 Ų2476 Ų7620%0.19841%0.406CS..Hα-helixtrans-59.1-43.1176.700000111.3L368 S374 I375 C376 L398L368-A372 WeakPolarHBondContact O-CB 3.42Å; L368-A372 PolarHBondContact O-N 2.69Å; A372-S374 VanDerWaalsContact C-N 3.34Å; A372-S374 PolarHBondContact O-N 3.12Å; A372-I375 PolarHBondContact O-N 2.99Å; A372-C376 WeakPolarHBondContact O-CB 2.87Å; A372-C376 PolarHBondContact O-N 2.9Å; A372-C376 PolarHBondContact O-SG 2.67Å; A372-L398 HydrophobicContact CB-CD1 4.26Å
373S81.8Confident74.9Confident58 Ų5879.9 Ų79.941%0.40642%0.422SS..Hα-helixtrans-61.6-41.7175.7-63.80000112.2M369 A370 V371 C376 K377M369-S373 VanDerWaalsContact O-CB 3.25Å; M369-S373 WeakPolarHBondContact O-CB 3.12Å; M369-S373 PolarHBondContact O-N 3.3Å; M369-S373 PolarHBondContact O-OG 3.1Å; A370-S373 PolarHBondContact O-N 3.38Å; V371-S373 VanDerWaalsContact C-N 3.31Å; V371-S373 PolarHBondContact O-N 2.86Å; S373-C376 PolarHBondContact O-N 2.98Å; S373-K377 WeakPolarHBondContact O-CB 3.1Å; S373-K377 VanDerWaalsContact O-CG 3.31Å; S373-K377 WeakPolarHBondContact O-CG 3.39Å; S373-K377 PolarHBondContact O-N 3.43Å
374S77.8Confident72.5Confident32 Ų3281.1 Ų81.122%0.22444%0.437CS..Hα-helixtrans-62.3-47.9175.7-171.20000111.5A370 V371 A372 C376 K377 M378A370-S374 PolarHBondContact O-N 2.94Å; V371-S374 WeakPolarHBondContact O-CB 3.49Å; V371-S374 PolarHBondContact O-N 3.09Å; V371-S374 VanDerWaalsContact O-N 3.15Å; A372-S374 VanDerWaalsContact C-N 3.34Å; A372-S374 PolarHBondContact O-N 3.12Å; S374-C376 VanDerWaalsContact C-N 3.33Å; S374-C376 PolarHBondContact O-N 3.08Å; S374-K377 PolarHBondContact O-N 3.17Å; S374-K377 VanDerWaalsContact O-N 3.17Å; S374-M378 WeakPolarHBondContact O-CG 3.07Å; S374-M378 PolarHBondContact O-N 3.38Å
375I74.6Confident70.2Confident52 Ų5286.9 Ų86.927%0.26747%0.474SS..Hα-helixtrans-59.8-42.9177.1-66.1167.5000111V371 A372 M378 K379 L401V371-I375 HydrophobicContact CG1-CD1 3.8Å; V371-I375 HydrophobicContact CG1-CG1 4.46Å; V371-I375 WeakPolarHBondContact O-CG1 2.96Å; V371-I375 PolarHBondContact O-N 2.93Å; A372-I375 PolarHBondContact O-N 2.99Å; I375-M378 PolarHBondContact O-N 3.46Å; I375-K379 WeakPolarHBondContact O-CG 3.21Å; I375-K379 PolarHBondContact O-N 2.92Å; I375-L401 HydrophobicContact CD1-CD1 4.36Å
376C72.8Confident68Low79 Ų7992.3 Ų92.353%0.53450%0.496SS..Hα-helixtrans-64.3-39.8176.7-74.30000112.6A372 S373 S374 K379 K380A372-C376 WeakPolarHBondContact O-CB 2.87Å; A372-C376 PolarHBondContact O-N 2.9Å; A372-C376 PolarHBondContact O-SG 2.67Å; S373-C376 PolarHBondContact O-N 2.98Å; S374-C376 VanDerWaalsContact C-N 3.33Å; S374-C376 PolarHBondContact O-N 3.08Å; C376-K379 PolarHBondContact O-N 3.05Å; C376-K380 PolarHBondContact O-N 3.29Å
377K74.5Confident65.7Low155 Ų155101.7 Ų101.767%0.67452%0.519SS*.Hα-helixtrans-64.4-44175.6-75.5175.5179.8-177.60111.9S373 S374 K379 K380S373-K377 WeakPolarHBondContact O-CB 3.1Å; S373-K377 VanDerWaalsContact O-CG 3.31Å; S373-K377 WeakPolarHBondContact O-CG 3.39Å; S373-K377 PolarHBondContact O-N 3.43Å; S374-K377 PolarHBondContact O-N 3.17Å; S374-K377 VanDerWaalsContact O-N 3.17Å; K377-K379 VanDerWaalsContact C-N 3.25Å; K377-K379 PolarHBondContact O-N 2.74Å; K377-K380 PolarHBondContact O-N 2.94Å
378M66.6Low63Low134 Ų134109.8 Ų109.866%0.6655%0.554SS**Hα-helixtrans-62.8-31.1177.6-67-17384.800112.9S374 I375 S381S374-M378 WeakPolarHBondContact O-CG 3.07Å; S374-M378 PolarHBondContact O-N 3.38Å; I375-M378 PolarHBondContact O-N 3.46Å; M378-S381 PolarHBondContact O-N 2.76Å
379K61.8Low61Low103 Ų103112.6 Ų112.645%0.44858%0.575SS.*Hα-helixtrans-73.2-37.1176.9-73.4179.4-173-179.90113.5I375 C376 K377 S381 K382 S394I375-K379 WeakPolarHBondContact O-CG 3.21Å; I375-K379 PolarHBondContact O-N 2.92Å; C376-K379 PolarHBondContact O-N 3.05Å; K377-K379 VanDerWaalsContact C-N 3.25Å; K377-K379 PolarHBondContact O-N 2.74Å; K379-S381 PolarHBondContact O-N 3.26Å; K379-K382 PolarHBondContact O-N 2.61Å; K379-S394 PolarHBondContact NZ-OG 2.48Å
380K57.5Low59.2Low198 Ų198109.8 Ų109.886%0.86157%0.566SS**Hα-helixtrans-63-21.3174.5-78.8-172.3176.6-175.90112.8C376 K377C376-K380 PolarHBondContact O-N 3.29Å; K377-K380 PolarHBondContact O-N 2.94Å
381S52.7Low57.1Low104 Ų104111.8 Ų111.873%0.72758%0.577SS**THydrogen-bonded Turntrans-88.4-9.1179.2-165.40000114.6M378 K379M378-S381 PolarHBondContact O-N 2.76Å; K379-S381 PolarHBondContact O-N 3.26Å
382K50.5Low55.2Low173 Ų173116 Ų11675%0.75261%0.606SS**  trans-112.896.3176.6-79.3-171.2175.7-175.80110.3K379 V384K379-K382 PolarHBondContact O-N 2.61Å; K382-V384 PolarHBondContact O-N 3.47Å
383E40.8Very low54.1Low191 Ų191120.9 Ų120.989%0.89363%0.625SS**  trans-68.390.6163.3-70.8-172.9154.400109.6
384V40.7Very low53Low117 Ų117119.7 Ų119.771%0.70962%0.616SS**  trans-138126.6164.1-175.60000109.8K382 Q386K382-V384 PolarHBondContact O-N 3.47Å; V384-Q386 PolarHBondContact O-N 2.88Å
385P41.8Very low52.3Low124 Ų124120 Ų12081%0.80562%0.624SS**  trans-87.796.9-175.433.5-31.5000111.6
386Q39Very low51.9Low147 Ų147122.2 Ų122.269%0.68764%0.636SS**  trans-146.986.1158.9-139.8166.8300108.8V384 T390V384-Q386 PolarHBondContact O-N 2.88Å; Q386-T390 WeakPolarHBondContact O-CB 3Å; Q386-T390 PolarHBondContact O-OG1 3.14Å
387R41.4Very low51.7Low240 Ų240121.6 Ų121.691%0.90663%0.63SS**THydrogen-bonded Turntrans-85.1-15.5-153.8-119.8174.6-177.9172.1-0.1116.1S391R387-S391 WeakPolarHBondContact O-CB 3.35Å
388F31.2Very low51.5Low184 Ų184117.9 Ų117.981%0.80762%0.617SS**THydrogen-bonded Turntrans-106.2-52-172.3-150.6-102000114.2T390 S391 C392F388-T390 PolarHBondContact O-N 3.26Å; F388-S391 PolarHBondContact O-N 3.07Å; F388-C392 PolarHBondContact O-N 2.93Å
389S42.5Very low51.6Low83 Ų83115.3 Ų115.358%0.5861%0.606SS**Hα-helixtrans-62.8-44.3177.9178.90000112.4S391 Q393S389-S391 VanDerWaalsContact C-N 3.31Å; S389-S391 PolarHBondContact O-N 2.96Å; S389-Q393 WeakPolarHBondContact O-CB 3.48Å; S389-Q393 PolarHBondContact O-N 2.98Å
390T47.8Very low52Low71 Ų71111 Ų11144%0.43659%0.591SS.*Hα-helixtrans-69.8-26.8-179.1-24.50000112.9Q386 F388 S394Q386-T390 WeakPolarHBondContact O-CB 3Å; Q386-T390 PolarHBondContact O-OG1 3.14Å; F388-T390 PolarHBondContact O-N 3.26Å; T390-S394 WeakPolarHBondContact O-CB 3.5Å; T390-S394 PolarHBondContact O-N 2.8Å; T390-S394 PolarHBondContact O-OG 2.92Å
391S41.4Very low52.7Low78 Ų78102.3 Ų102.355%0.54555%0.554SS.*Hα-helixtrans-77-45.4178.3-168.60000111.5R387 F388 S389 S394 G395R387-S391 WeakPolarHBondContact O-CB 3.35Å; F388-S391 PolarHBondContact O-N 3.07Å; S389-S391 VanDerWaalsContact C-N 3.31Å; S389-S391 PolarHBondContact O-N 2.96Å; S391-S394 WeakPolarHBondContact O-CB 3.15Å; S391-S394 PolarHBondContact O-N 2.81Å; S391-G395 PolarHBondContact O-N 3.29Å
392C40.7Very low53.8Low89 Ų8999.2 Ų99.260%0.60153%0.53SS*.Hα-helixtrans-62.2-44173.3-175.10000111.3F388 S394 G395 L396F388-C392 PolarHBondContact O-N 2.93Å; C392-S394 VanDerWaalsContact C-N 3.29Å; C392-S394 PolarHBondContact O-N 3.17Å; C392-G395 PolarHBondContact O-N 3.48Å; C392-L396 VanDerWaalsContact O-CB 3.29Å; C392-L396 WeakPolarHBondContact O-CB 3.45Å; C392-L396 PolarHBondContact O-N 3.06Å
393Q57.8Low54.8Low127 Ų12791 Ų9159%0.59349%0.494SS*.Hα-helixtrans-64.6-34.4175.9-168.5165.8700112.4S389 T397S389-Q393 WeakPolarHBondContact O-CB 3.48Å; S389-Q393 PolarHBondContact O-N 2.98Å; Q393-T397 WeakPolarHBondContact O-CB 3.36Å; Q393-T397 PolarHBondContact O-N 3.21Å; Q393-T397 PolarHBondContact O-OG1 3.16Å
394S59.4Low56.3Low32 Ų3282.4 Ų82.422%0.22446%0.455CS..Hα-helixtrans-69.3-42.9173.5-69.20000113K379 T390 S391 C392 T397 L398K379-S394 PolarHBondContact NZ-OG 2.48Å; T390-S394 WeakPolarHBondContact O-CB 3.5Å; T390-S394 PolarHBondContact O-N 2.8Å; T390-S394 PolarHBondContact O-OG 2.92Å; S391-S394 WeakPolarHBondContact O-CB 3.15Å; S391-S394 PolarHBondContact O-N 2.81Å; C392-S394 VanDerWaalsContact C-N 3.29Å; C392-S394 PolarHBondContact O-N 3.17Å; S394-T397 PolarHBondContact O-N 3.48Å; S394-L398 WeakPolarHBondContact O-CB 2.97Å; S394-L398 PolarHBondContact O-N 2.86Å
395G62.7Low58Low39 Ų3976.9 Ų76.940%0.40242%0.421SS..Hα-helixtrans-65.3-42.5176.700000111.3S391 C392 T397 L398 L399S391-G395 PolarHBondContact O-N 3.29Å; C392-G395 PolarHBondContact O-N 3.48Å; G395-T397 PolarHBondContact O-N 3.48Å; G395-L398 PolarHBondContact O-N 2.8Å; G395-L399 WeakPolarHBondContact O-CB 3.3Å; G395-L399 PolarHBondContact O-N 3.01Å
396L66Low59.4Low99 Ų9971.2 Ų71.252%0.51839%0.385SS..Hα-helixtrans-65.4-38.2175.3-170.966000112.1C392 G400C392-L396 VanDerWaalsContact O-CB 3.29Å; C392-L396 WeakPolarHBondContact O-CB 3.45Å; C392-L396 PolarHBondContact O-N 3.06Å; L396-G400 PolarHBondContact O-N 2.8Å
397T68.6Low60.9Low65 Ų6565.1 Ų65.140%0.39936%0.358SS..Hα-helixtrans-66.3-44.6174.2-56.30000110.8Q393 S394 G395 G400 L401Q393-T397 WeakPolarHBondContact O-CB 3.36Å; Q393-T397 PolarHBondContact O-N 3.21Å; Q393-T397 PolarHBondContact O-OG1 3.16Å; S394-T397 PolarHBondContact O-N 3.48Å; G395-T397 PolarHBondContact O-N 3.48Å; T397-G400 PolarHBondContact O-N 3.26Å; T397-L401 HydrophobicContact CG2-CD1 4.18Å; T397-L401 WeakPolarHBondContact O-CB 3.35Å; T397-L401 WeakPolarHBondContact O-CG 3.37Å; T397-L401 PolarHBondContact O-N 3.18Å
398L70.6Confident62.7Low77 Ų7754 Ų5440%0.40332%0.317SS..Hα-helixtrans-66.3-41.2177.6-173.465.7000111.6A372 S394 G395 L401 T402A372-L398 HydrophobicContact CB-CD1 4.26Å; S394-L398 WeakPolarHBondContact O-CB 2.97Å; S394-L398 PolarHBondContact O-N 2.86Å; G395-L398 PolarHBondContact O-N 2.8Å; L398-L401 PolarHBondContact O-N 3.23Å; L398-T402 WeakPolarHBondContact O-CB 3.46Å; L398-T402 PolarHBondContact O-N 2.91Å; L398-T402 PolarHBondContact O-OG1 2.81Å
399L68Low64.7Low81 Ų8146.8 Ų46.842%0.42428%0.284SS..Hα-helixtrans-63-43.7175.2-177.865.9000111.2G395 T402 C403G395-L399 WeakPolarHBondContact O-CB 3.3Å; G395-L399 PolarHBondContact O-N 3.01Å; L399-T402 PolarHBondContact O-N 3.06Å; L399-C403 PolarHBondContact O-N 2.99Å; L399-C403 PolarHBondContact O-SG 2.75Å
400G71.7Confident66Low13 Ų1343.2 Ų43.213%0.13426%0.26CS..Hα-helixtrans-60.7-44.7173.500000111.9L396 T397 C403 L404L396-G400 PolarHBondContact O-N 2.8Å; T397-G400 PolarHBondContact O-N 3.26Å; G400-C403 PolarHBondContact O-N 2.68Å; G400-L404 WeakPolarHBondContact O-CB 3.45Å; G400-L404 PolarHBondContact O-N 2.83Å
401L72.2Confident67.1Low15 Ų1541.5 Ų41.58%0.07925%0.248CC..Hα-helixtrans-62.4-42175.4-71.8170.4000112.3L280 I375 T397 L398 L404 M405L280-L401 HydrophobicContact CD1-CD2 4.5Å; L280-L401 HydrophobicContact CD2-CD2 3.81Å; I375-L401 HydrophobicContact CD1-CD1 4.36Å; T397-L401 HydrophobicContact CG2-CD1 4.18Å; T397-L401 WeakPolarHBondContact O-CB 3.35Å; T397-L401 WeakPolarHBondContact O-CG 3.37Å; T397-L401 PolarHBondContact O-N 3.18Å; L398-L401 PolarHBondContact O-N 3.23Å; L401-L404 PolarHBondContact O-N 2.91Å; L401-M405 WeakPolarHBondContact O-CB 3.34Å; L401-M405 VanDerWaalsContact O-CG 3.22Å; L401-M405 WeakPolarHBondContact O-CG 3.36Å; L401-M405 PolarHBondContact O-N 2.89Å
402T74.4Confident68.3Low38 Ų3839.7 Ų39.723%0.23324%0.238CC..Hα-helixtrans-61.8-46.1175.3-620000111.4L398 L399 L404 G406 T407L398-T402 WeakPolarHBondContact O-CB 3.46Å; L398-T402 PolarHBondContact O-N 2.91Å; L398-T402 PolarHBondContact O-OG1 2.81Å; L399-T402 PolarHBondContact O-N 3.06Å; T402-L404 VanDerWaalsContact C-N 3.35Å; T402-G406 PolarHBondContact O-N 3.46Å; T402-T407 WeakPolarHBondContact CG2-OG1 3.41Å; T402-T407 PolarHBondContact O-N 2.92Å; T402-T407 PolarHBondContact O-OG1 3.23Å; T402-T407 VanDerWaalsContact O-OG1 3.07Å
403C71.9Confident69.2Low0 Ų040.5 Ų40.50%023%0.232CC..Hα-helixtrans-65.9-38.3177.1-65.50000112L399 G400 G406 F437L399-C403 PolarHBondContact O-N 2.99Å; L399-C403 PolarHBondContact O-SG 2.75Å; G400-C403 PolarHBondContact O-N 2.68Å; C403-G406 PolarHBondContact O-N 3.39Å; C403-F437 HydrophobicContact CB-CD2 3.83Å; C403-F437 HydrophobicContact CB-CE2 4.23Å
404L72.1Confident69.1Low12 Ų1240.1 Ų40.16%0.06323%0.233CC..Hα-helixtrans-68.7-41.3-179-174133.1000111.3E276 G400 L401 T402 G406 I438E276-L404 HydrophobicContact CG-CD2 3.79Å; E276-L404 WeakPolarHBondContact OE1-CD2 3.25Å; E276-L404 VanDerWaalsContact OE1-CG 3.27Å; E276-L404 WeakPolarHBondContact OE1-CG 3.43Å; E276-L404 WeakPolarHBondContact OE2-CD2 3.09Å; E276-L404 VanDerWaalsContact OE2-O 3.07Å; G400-L404 WeakPolarHBondContact O-CB 3.45Å; G400-L404 PolarHBondContact O-N 2.83Å; L401-L404 PolarHBondContact O-N 2.91Å; T402-L404 VanDerWaalsContact C-N 3.35Å; L404-G406 PolarHBondContact O-N 2.83Å; L404-I438 HydrophobicContact CD1-CG1 4.27Å
405M76.9Confident68.7Low1 Ų139.3 Ų39.31%0.00523%0.229CC..THydrogen-bonded Turntrans-76.7-0.8177.7-66.1177.675.600114.9A277 L280 N364 I367 L368 L401 T407A277-M405 HydrophobicContact CB-CE 3.42Å; A277-M405 VanDerWaalsContact CB-CE 3.42Å; L280-M405 HydrophobicContact CD2-SD 4.11Å; N364-M405 PolarHBondContact ND2-O 2.89Å; N364-M405 WeakPolarHBondContact O-CE 3.34Å; I367-M405 HydrophobicContact CB-CE 4.08Å; I367-M405 HydrophobicContact CG2-CE 3.77Å; L368-M405 HydrophobicContact CB-CE 3.76Å; L368-M405 HydrophobicContact CB-SD 3.86Å; L368-M405 HydrophobicContact CD1-SD 3.62Å; L368-M405 HydrophobicContact CG-SD 4.23Å; L401-M405 WeakPolarHBondContact O-CB 3.34Å; L401-M405 VanDerWaalsContact O-CG 3.22Å; L401-M405 WeakPolarHBondContact O-CG 3.36Å; L401-M405 PolarHBondContact O-N 2.89Å; M405-T407 VanDerWaalsContact C-N 3.33Å; M405-T407 PolarHBondContact O-N 3.37Å
406G70.9Confident67.7Low5 Ų541 Ų415%0.05224%0.235CC..THydrogen-bonded Turntrans73.715.1174.900000116.1M273 T402 C403 L404 T408 W409M273-G406 WeakPolarHBondContact SD-CA 3.18Å; T402-G406 PolarHBondContact O-N 3.46Å; C403-G406 PolarHBondContact O-N 3.39Å; L404-G406 PolarHBondContact O-N 2.83Å; G406-T408 PolarHBondContact O-N 3.38Å; G406-W409 WeakPolarHBondContact O-CB 3.35Å; G406-W409 PolarHBondContact O-N 2.81Å; G406-W409 VanDerWaalsContact O-N 3.17Å
407T71.9Confident66.9Low19 Ų1939.8 Ų39.812%0.11725%0.246CC..G310 helixtrans-69.9-14.7178530000112.5F361 L368 T402 M405 W409 G410F361-T407 HydrophobicContact CE2-CG2 4.5Å; L368-T407 HydrophobicContact CD2-CG2 3.92Å; T402-T407 WeakPolarHBondContact CG2-OG1 3.41Å; T402-T407 PolarHBondContact O-N 2.92Å; T402-T407 PolarHBondContact O-OG1 3.23Å; T402-T407 VanDerWaalsContact O-OG1 3.07Å; M405-T407 VanDerWaalsContact C-N 3.33Å; M405-T407 PolarHBondContact O-N 3.37Å; T407-W409 PolarHBondContact O-N 3.41Å; T407-G410 PolarHBondContact O-N 3.45Å
408T77.9Confident65.7Low7 Ų742.4 Ų42.44%0.04325%0.25CC..G310 helixtrans-59.5-31.1170.354.70000112.1G406 G410 L411 L430G406-T408 PolarHBondContact O-N 3.38Å; T408-G410 PolarHBondContact O-N 3.45Å; T408-L411 VanDerWaalsContact O-CB 3.24Å; T408-L411 WeakPolarHBondContact O-CB 3.39Å; T408-L411 WeakPolarHBondContact O-CG 3.35Å; T408-L411 PolarHBondContact O-N 2.92Å; T408-L411 VanDerWaalsContact O-N 3.08Å; T408-L430 HydrophobicContact CG2-CB 3.83Å; T408-L430 HydrophobicContact CG2-CD1 3.96Å; T408-L430 HydrophobicContact CG2-CG 4.38Å
409W74Confident64.8Low32 Ų3240.7 Ų40.712%0.12124%0.242CC..G310 helixtrans-64.7-22.5172.9-70.482000112.9L236 L266 F270 F357 G406 T407 L411 A412 F427 N431L236-W409 HydrophobicContact CD2-CH2 4.2Å; L236-W409 HydrophobicContact CD2-CZ2 4.1Å; L266-W409 HydrophobicContact CD1-CH2 3.53Å; L266-W409 HydrophobicContact CD1-CZ2 4.25Å; L266-W409 HydrophobicContact CD1-CZ3 3.68Å; F270-W409 HydrophobicContact CE1-CB 4.25Å; F270-W409 AromaticContact CE1-CD2 3.73Å; F270-W409 HydrophobicContact CE1-CD2 3.73Å; F270-W409 AromaticContact CE1-CE3 3.92Å; F270-W409 HydrophobicContact CE1-CE3 3.92Å; F270-W409 AromaticContact CE1-CG 3.89Å; F270-W409 HydrophobicContact CE1-CG 3.89Å; F270-W409 HydrophobicContact CZ-CD2 4.16Å; F270-W409 AromaticContact CZ-CE3 3.84Å; F270-W409 HydrophobicContact CZ-CE3 3.84Å; F270-W409 HydrophobicContact CZ-CZ3 4.23Å; F357-W409 HydrophobicContact CE2-CB 3.45Å; F357-W409 VanDerWaalsContact CE2-CB 3.45Å; F357-W409 HydrophobicContact CE2-CG 4.43Å; F357-W409 VanDerWaalsContact CZ-C 3.49Å; F357-W409 HydrophobicContact CZ-CB 3.73Å; F357-W409 WeakPolarHBondContact CZ-O 3.32Å; G406-W409 WeakPolarHBondContact O-CB 3.35Å; G406-W409 PolarHBondContact O-N 2.81Å; G406-W409 VanDerWaalsContact O-N 3.17Å; T407-W409 PolarHBondContact O-N 3.41Å; W409-L411 PolarHBondContact O-N 2.99Å; W409-A412 VanDerWaalsContact O-CB 3.24Å; W409-A412 WeakPolarHBondContact O-CB 3.17Å; W409-A412 PolarHBondContact O-N 3.23Å; W409-F427 HydrophobicContact CB-CE2 4.5Å; W409-F427 AromaticContact CD2-CE2 3.89Å; W409-F427 HydrophobicContact CD2-CE2 3.89Å; W409-F427 HydrophobicContact CD2-CZ 4.2Å; W409-F427 AromaticContact CE3-CE2 3.82Å; W409-F427 HydrophobicContact CE3-CE2 3.82Å; W409-F427 AromaticContact CE3-CZ 3.75Å; W409-F427 HydrophobicContact CE3-CZ 3.75Å; W409-F427 HydrophobicContact CG-CE2 4.21Å; W409-F427 HydrophobicContact CH2-CZ 4.29Å; W409-F427 HydrophobicContact CZ3-CE2 4.32Å; W409-F427 AromaticContact CZ3-CZ 3.81Å; W409-F427 HydrophobicContact CZ3-CZ 3.81Å; W409-N431 WeakPolarHBondContact CZ2-OD1 3.37Å; W409-N431 PolarHBondContact NE1-OD1 2.87Å
410G70.2Confident64.5Low7 Ų739.7 Ų39.77%0.07224%0.238CC..Hα-helixtrans-62.4-23.5172.300000113.3F361 T407 T408 A412 F413 L414F361-G410 VanDerWaalsContact CE2-CA 3.47Å; T407-G410 PolarHBondContact O-N 3.45Å; T408-G410 PolarHBondContact O-N 3.45Å; G410-A412 PolarHBondContact O-N 3.17Å; G410-F413 WeakPolarHBondContact O-CB 3.38Å; G410-F413 PolarHBondContact O-N 2.84Å; G410-F413 VanDerWaalsContact O-N 3.15Å; G410-L414 PolarHBondContact O-N 3.12Å
411L70.1Confident64.4Low36 Ų3642.4 Ų42.419%0.18824%0.244CC..Hα-helixtrans-64.9-29.8172.9-61.7177.1000111.8T408 W409 F413 L414 G415 V423 L426 F427 L430T408-L411 VanDerWaalsContact O-CB 3.24Å; T408-L411 WeakPolarHBondContact O-CB 3.39Å; T408-L411 WeakPolarHBondContact O-CG 3.35Å; T408-L411 PolarHBondContact O-N 2.92Å; T408-L411 VanDerWaalsContact O-N 3.08Å; W409-L411 PolarHBondContact O-N 2.99Å; L411-F413 PolarHBondContact O-N 2.85Å; L411-L414 HydrophobicContact CD2-CD1 4.01Å; L411-L414 PolarHBondContact O-N 3.36Å; L411-G415 PolarHBondContact O-N 2.94Å; L411-G415 VanDerWaalsContact O-N 3.12Å; L411-V423 HydrophobicContact CB-CG1 3.99Å; L411-V423 WeakPolarHBondContact O-CG1 3.42Å; L411-L426 HydrophobicContact CD1-CD2 3.86Å; L411-L426 HydrophobicContact CD1-CG 3.96Å; L411-F427 HydrophobicContact CB-CB 4.23Å; L411-L430 HydrophobicContact CD1-CD1 3.68Å
412A65.4Low64.5Low39 Ų3946.5 Ų46.532%0.32227%0.27SS..Hα-helixtrans-64.2-30.8174.800000111.9W409 G410 G415 S416 F427W409-A412 VanDerWaalsContact O-CB 3.24Å; W409-A412 WeakPolarHBondContact O-CB 3.17Å; W409-A412 PolarHBondContact O-N 3.23Å; G410-A412 PolarHBondContact O-N 3.17Å; A412-G415 PolarHBondContact O-N 3.34Å; A412-S416 PolarHBondContact O-N 2.72Å; A412-F427 HydrophobicContact CB-CD2 4.33Å; A412-F427 HydrophobicContact CB-CE2 4.24Å; A412-F427 HydrophobicContact CB-CZ 4.41Å
413F60.6Low64.3Low107 Ų10746 Ų4647%0.46927%0.267SS..Hα-helixtrans-75.5-36.4174.7-170.6-97.8000112.6L354 G410 L411 G415 S416L354-F413 HydrophobicContact CD1-CD2 4.05Å; L354-F413 HydrophobicContact CD1-CE2 4.29Å; G410-F413 WeakPolarHBondContact O-CB 3.38Å; G410-F413 PolarHBondContact O-N 2.84Å; G410-F413 VanDerWaalsContact O-N 3.15Å; L411-F413 PolarHBondContact O-N 2.85Å; F413-G415 PolarHBondContact O-N 3.07Å; F413-S416 PolarHBondContact O-N 3.42Å
414L56.3Low64.2Low119 Ų11947.8 Ų47.862%0.62328%0.276SS*.Hα-helixtrans-62.7-22.4170.2-65.4176.5000112.1G410 L411 V423G410-L414 PolarHBondContact O-N 3.12Å; L411-L414 HydrophobicContact CD2-CD1 4.01Å; L411-L414 PolarHBondContact O-N 3.36Å; L414-V423 HydrophobicContact CB-CG1 4.27Å
415G49.9Very low64.6Low14 Ų1449.1 Ų49.114%0.14428%0.281CS..THydrogen-bonded Turntrans-84.2-12.7168.900000115.1L411 A412 F413 G417L411-G415 PolarHBondContact O-N 2.94Å; L411-G415 VanDerWaalsContact O-N 3.12Å; A412-G415 PolarHBondContact O-N 3.34Å; F413-G415 PolarHBondContact O-N 3.07Å; G415-G417 PolarHBondContact O-N 2.96Å
416S42.5Very low64.7Low74 Ų7453 Ų5352%0.51730%0.301SS..THydrogen-bonded Turntrans-84.719-175.2107.80000114.3A412 F413A412-S416 PolarHBondContact O-N 2.72Å; F413-S416 PolarHBondContact O-N 3.42Å
417G48.8Very low65Low74 Ų7454.3 Ų54.376%0.76331%0.305SS*.THydrogen-bonded Turntrans-129.2-58.117200000111.5G415G415-G417 PolarHBondContact O-N 2.96Å
418Y44.3Very low65.3Low120 Ų12054 Ų5447%0.47130%0.304SS..SBendtrans-116.5128175.8-173.4-90.6000108N420Y418-N420 HydrophobicContact CD1-CB 4.27Å; Y418-N420 PolarHBondContact O-N 2.98Å
419V50.3Low65.4Low41 Ų4157.6 Ų57.625%0.24832%0.322CS..  trans-72.883.4179.5-178.20000108.8D132 I181 Y421 L424D132-V419 PolarHBondContact OD2-N 3.04Å; I181-V419 HydrophobicContact CG1-CG1 4.48Å; V419-Y421 HydrophobicContact CG1-CD1 4.37Å; V419-Y421 HydrophobicContact CG1-CE1 4.05Å; V419-Y421 PolarHBondContact O-N 3.25Å; V419-L424 HydrophobicContact CG1-CD1 3.8Å
420N63Low65.7Low61 Ų6157.5 Ų57.533%0.32632%0.324SS..  trans-83.4101172.3-169-28.1000109.1Y418 T422 V423 L424Y418-N420 HydrophobicContact CD1-CB 4.27Å; Y418-N420 PolarHBondContact O-N 2.98Å; N420-T422 PolarHBondContact O-N 2.05Å; N420-T422 WeakPolarHBondContact OD1-CA 3.41Å; N420-T422 WeakPolarHBondContact OD1-CB 3.42Å; N420-T422 PolarHBondContact OD1-N 2.97Å; N420-T422 PolarHBondContact OD1-OG1 2.86Å; N420-V423 HydrophobicContact CB-CB 4.06Å; N420-V423 HydrophobicContact CB-CG2 3.77Å; N420-V423 WeakPolarHBondContact O-CA 3.21Å; N420-V423 WeakPolarHBondContact O-CB 3.27Å; N420-V423 PolarHBondContact O-N 3.49Å; N420-L424 PolarHBondContact O-N 3.43Å; N420-L424 VanDerWaalsContact O-N 3.08Å
421Y69.9Low66.1Low70 Ų7058.1 Ų58.128%0.27533%0.325SS..Hα-helixtrans-48.1-37.3175.3-63.5-60.7000112.7I181 H185 V419 V423 L424 Y425I181-Y421 HydrophobicContact CG2-CE1 3.79Å; H185-Y421 HydrophobicContact CB-CD1 3.95Å; H185-Y421 HydrophobicContact CB-CE1 3.77Å; H185-Y421 AromaticContact CG-CD1 3.91Å; H185-Y421 AromaticContact CG-CE1 3.95Å; H185-Y421 AromaticContact ND1-CD1 3.78Å; H185-Y421 AromaticContact ND1-CG 3.72Å; V419-Y421 HydrophobicContact CG1-CD1 4.37Å; V419-Y421 HydrophobicContact CG1-CE1 4.05Å; V419-Y421 PolarHBondContact O-N 3.25Å; Y421-V423 PolarHBondContact O-N 2.83Å; Y421-L424 PolarHBondContact O-N 2.79Å; Y421-Y425 WeakPolarHBondContact O-CD2 2.97Å; Y421-Y425 PolarHBondContact O-N 2.84Å
422T72.7Confident66.6Low101 Ų10157.1 Ų57.162%0.6232%0.321SS*.Hα-helixtrans-62.8-42.5177.4-470000111.9N420 L426N420-T422 PolarHBondContact O-N 2.05Å; N420-T422 WeakPolarHBondContact OD1-CA 3.41Å; N420-T422 WeakPolarHBondContact OD1-CB 3.42Å; N420-T422 PolarHBondContact OD1-N 2.97Å; N420-T422 PolarHBondContact OD1-OG1 2.86Å; T422-L426 WeakPolarHBondContact O-CB 3.41Å; T422-L426 PolarHBondContact O-N 3.44Å
423V70.9Confident67.5Low26 Ų2658.4 Ų58.416%0.15832%0.322CS..Hα-helixtrans-68.7-39.6179.5176.60000110.5L411 L414 N420 Y421 L426 F427L411-V423 HydrophobicContact CB-CG1 3.99Å; L411-V423 WeakPolarHBondContact O-CG1 3.42Å; L414-V423 HydrophobicContact CB-CG1 4.27Å; N420-V423 HydrophobicContact CB-CB 4.06Å; N420-V423 HydrophobicContact CB-CG2 3.77Å; N420-V423 WeakPolarHBondContact O-CA 3.21Å; N420-V423 WeakPolarHBondContact O-CB 3.27Å; N420-V423 PolarHBondContact O-N 3.49Å; Y421-V423 PolarHBondContact O-N 2.83Å; V423-L426 PolarHBondContact O-N 3.36Å; V423-F427 VanDerWaalsContact O-CB 3.31Å; V423-F427 WeakPolarHBondContact O-CB 3.38Å; V423-F427 PolarHBondContact O-N 3.04Å
424L70.3Confident68.7Low38 Ų3853.3 Ų53.320%0.19930%0.3CS..Hα-helixtrans-64.1-45.6175.3-69.3174.7000112.1L189 V419 N420 Y421 L426 F427 C428L189-L424 HydrophobicContact CD1-CB 4.24Å; L189-L424 HydrophobicContact CD2-CB 4.25Å; L189-L424 HydrophobicContact CD2-CD1 4.32Å; V419-L424 HydrophobicContact CG1-CD1 3.8Å; N420-L424 PolarHBondContact O-N 3.43Å; N420-L424 VanDerWaalsContact O-N 3.08Å; Y421-L424 PolarHBondContact O-N 2.79Å; L424-L426 PolarHBondContact O-N 2.91Å; L424-F427 WeakPolarHBondContact O-CB 3.18Å; L424-F427 PolarHBondContact O-N 2.81Å; L424-C428 PolarHBondContact O-N 3.36Å; L424-C428 PolarHBondContact O-SG 3.44Å
425Y79.6Confident70.2Confident41 Ų4147.6 Ų47.616%0.16127%0.27CS..Hα-helixtrans-61-45.3175-71.5-50.4000111.9H185 L188 L189 I192 Y421 F427 C428 I429H185-Y425 AromaticContact ND1-CE2 3.95Å; H185-Y425 AromaticContact ND1-CZ 3.9Å; H185-Y425 PolarHBondContact ND1-OH 2.01Å; L188-Y425 HydrophobicContact CB-CE1 4.44Å; L188-Y425 HydrophobicContact CD2-CE1 4.11Å; L188-Y425 WeakPolarHBondContact CD2-OH 3.43Å; L188-Y425 HydrophobicContact CG-CE1 4.08Å; L189-Y425 HydrophobicContact CB-CE1 4.3Å; L189-Y425 HydrophobicContact CD1-CD1 3.71Å; L189-Y425 HydrophobicContact CD1-CE1 3.93Å; I192-Y425 HydrophobicContact CD1-CD1 3.53Å; I192-Y425 HydrophobicContact CD1-CE1 3.72Å; Y421-Y425 WeakPolarHBondContact O-CD2 2.97Å; Y421-Y425 PolarHBondContact O-N 2.84Å; Y425-F427 VanDerWaalsContact C-N 3.33Å; Y425-F427 PolarHBondContact O-N 2.86Å; Y425-C428 PolarHBondContact O-N 2.86Å; Y425-I429 WeakPolarHBondContact O-CD1 3.32Å; Y425-I429 VanDerWaalsContact O-CG1 3.25Å; Y425-I429 WeakPolarHBondContact O-CG1 3.44Å; Y425-I429 PolarHBondContact O-N 2.86Å
426L79.8Confident71.9Confident83 Ų8350.5 Ų50.544%0.43528%0.279SS..Hα-helixtrans-62-42.6178.2-175.365.1000111.4L411 T422 V423 L424 I429 L430L411-L426 HydrophobicContact CD1-CD2 3.86Å; L411-L426 HydrophobicContact CD1-CG 3.96Å; T422-L426 WeakPolarHBondContact O-CB 3.41Å; T422-L426 PolarHBondContact O-N 3.44Å; V423-L426 PolarHBondContact O-N 3.36Å; L424-L426 PolarHBondContact O-N 2.91Å; L426-I429 PolarHBondContact O-N 3.42Å; L426-L430 HydrophobicContact CD1-CD1 3.96Å; L426-L430 HydrophobicContact CD1-CG 4.16Å; L426-L430 HydrophobicContact CD2-CD1 4.4Å; L426-L430 HydrophobicContact CG-CD1 3.76Å; L426-L430 HydrophobicContact CG-CG 4.34Å; L426-L430 WeakPolarHBondContact O-CB 2.89Å; L426-L430 VanDerWaalsContact O-CG 3.23Å; L426-L430 WeakPolarHBondContact O-CG 3.5Å; L426-L430 PolarHBondContact O-N 2.6Å
427F77.7Confident74Confident31 Ų3148.9 Ų48.914%0.13626%0.263CS..Hα-helixtrans-57.9-52.4175.2167.4-106.8000111.5W409 L411 A412 V423 L424 Y425 I429 L430 N431W409-F427 HydrophobicContact CB-CE2 4.5Å; W409-F427 AromaticContact CD2-CE2 3.89Å; W409-F427 HydrophobicContact CD2-CE2 3.89Å; W409-F427 HydrophobicContact CD2-CZ 4.2Å; W409-F427 AromaticContact CE3-CE2 3.82Å; W409-F427 HydrophobicContact CE3-CE2 3.82Å; W409-F427 AromaticContact CE3-CZ 3.75Å; W409-F427 HydrophobicContact CE3-CZ 3.75Å; W409-F427 HydrophobicContact CG-CE2 4.21Å; W409-F427 HydrophobicContact CH2-CZ 4.29Å; W409-F427 HydrophobicContact CZ3-CE2 4.32Å; W409-F427 AromaticContact CZ3-CZ 3.81Å; W409-F427 HydrophobicContact CZ3-CZ 3.81Å; L411-F427 HydrophobicContact CB-CB 4.23Å; A412-F427 HydrophobicContact CB-CD2 4.33Å; A412-F427 HydrophobicContact CB-CE2 4.24Å; A412-F427 HydrophobicContact CB-CZ 4.41Å; V423-F427 VanDerWaalsContact O-CB 3.31Å; V423-F427 WeakPolarHBondContact O-CB 3.38Å; V423-F427 PolarHBondContact O-N 3.04Å; L424-F427 WeakPolarHBondContact O-CB 3.18Å; L424-F427 PolarHBondContact O-N 2.81Å; Y425-F427 VanDerWaalsContact C-N 3.33Å; Y425-F427 PolarHBondContact O-N 2.86Å; F427-I429 PolarHBondContact O-N 3.29Å; F427-L430 PolarHBondContact O-N 3.06Å; F427-N431 VanDerWaalsContact O-CB 3.31Å; F427-N431 WeakPolarHBondContact O-CB 3.45Å; F427-N431 PolarHBondContact O-N 3.33Å
428C76.7Confident75.7Confident14 Ų1445.3 Ų45.310%0.09523%0.226CC..Hα-helixtrans-59.6-44.9179.6-70.20000111.9L189 I192 S193 L424 Y425 N431 S432L189-C428 HydrophobicContact CD1-CB 4.4Å; I192-C428 HydrophobicContact CG2-CB 3.84Å; S193-C428 PolarHBondContact OG-SG 3.47Å; S193-C428 VanDerWaalsContact OG-SG 3.37Å; L424-C428 PolarHBondContact O-N 3.36Å; L424-C428 PolarHBondContact O-SG 3.44Å; Y425-C428 PolarHBondContact O-N 2.86Å; C428-N431 PolarHBondContact O-N 3.07Å; C428-S432 WeakPolarHBondContact O-CB 3.46Å; C428-S432 PolarHBondContact O-N 3.22Å; C428-S432 PolarHBondContact O-OG 2.74Å
429I81.4Confident77.8Confident82 Ų8241.9 Ų41.942%0.42121%0.214SC..Hα-helixtrans-62.1-48.1178.6-67.7165.5000111.1I192 Y425 L426 F427 N431 S432 L433I192-I429 HydrophobicContact CG2-CG1 4.35Å; Y425-I429 WeakPolarHBondContact O-CD1 3.32Å; Y425-I429 VanDerWaalsContact O-CG1 3.25Å; Y425-I429 WeakPolarHBondContact O-CG1 3.44Å; Y425-I429 PolarHBondContact O-N 2.86Å; L426-I429 PolarHBondContact O-N 3.42Å; F427-I429 PolarHBondContact O-N 3.29Å; I429-N431 PolarHBondContact O-N 2.89Å; I429-S432 WeakPolarHBondContact O-CB 3.34Å; I429-S432 PolarHBondContact O-N 2.74Å; I429-L433 HydrophobicContact CG2-CD1 4.16Å; I429-L433 WeakPolarHBondContact O-CG 3.4Å; I429-L433 PolarHBondContact O-N 2.86Å; I429-L433 VanDerWaalsContact O-N 3.12Å
430L80.4Confident79.5Confident30 Ų3042.4 Ų42.416%0.15722%0.217CC..Hα-helixtrans-66.5-39.2-178.1-70.6173.3000112.2T408 L411 L426 F427 S432 L433 Q434T408-L430 HydrophobicContact CG2-CB 3.83Å; T408-L430 HydrophobicContact CG2-CD1 3.96Å; T408-L430 HydrophobicContact CG2-CG 4.38Å; L411-L430 HydrophobicContact CD1-CD1 3.68Å; L426-L430 HydrophobicContact CD1-CD1 3.96Å; L426-L430 HydrophobicContact CD1-CG 4.16Å; L426-L430 HydrophobicContact CD2-CD1 4.4Å; L426-L430 HydrophobicContact CG-CD1 3.76Å; L426-L430 HydrophobicContact CG-CG 4.34Å; L426-L430 WeakPolarHBondContact O-CB 2.89Å; L426-L430 VanDerWaalsContact O-CG 3.23Å; L426-L430 WeakPolarHBondContact O-CG 3.5Å; L426-L430 PolarHBondContact O-N 2.6Å; F427-L430 PolarHBondContact O-N 3.06Å; L430-S432 VanDerWaalsContact C-N 3.29Å; L430-S432 PolarHBondContact O-N 3.3Å; L430-L433 PolarHBondContact O-N 3.39Å; L430-Q434 PolarHBondContact O-N 2.85Å
431N77.1Confident80.4Confident20 Ų2044.5 Ų44.511%0.10722%0.22CC..Hα-helixtrans-64.8-36.2176-165.337.7000111.5W409 F427 C428 I429 L433 Q434W409-N431 WeakPolarHBondContact CZ2-OD1 3.37Å; W409-N431 PolarHBondContact NE1-OD1 2.87Å; F427-N431 VanDerWaalsContact O-CB 3.31Å; F427-N431 WeakPolarHBondContact O-CB 3.45Å; F427-N431 PolarHBondContact O-N 3.33Å; C428-N431 PolarHBondContact O-N 3.07Å; I429-N431 PolarHBondContact O-N 2.89Å; N431-L433 VanDerWaalsContact C-N 3.33Å; N431-L433 PolarHBondContact O-N 2.65Å; N431-Q434 WeakPolarHBondContact O-CB 3.28Å; N431-Q434 PolarHBondContact O-N 2.82Å; N431-Q434 PolarHBondContact OD1-OE1 3.21Å
432S81.8Confident81.1Confident15 Ų1541.2 Ų41.211%0.10521%0.208CC..Hα-helixtrans-65.9-34.5175.6-54.80000113G196 C428 I429 L430 Q434G196-S432 VanDerWaalsContact CA-CB 3.45Å; G196-S432 WeakPolarHBondContact CA-OG 3.04Å; C428-S432 WeakPolarHBondContact O-CB 3.46Å; C428-S432 PolarHBondContact O-N 3.22Å; C428-S432 PolarHBondContact O-OG 2.74Å; I429-S432 WeakPolarHBondContact O-CB 3.34Å; I429-S432 PolarHBondContact O-N 2.74Å; L430-S432 VanDerWaalsContact C-N 3.29Å; L430-S432 PolarHBondContact O-N 3.3Å; S432-Q434 VanDerWaalsContact C-N 3.34Å
433L84.3Confident81.7Confident65 Ų6538.4 Ų38.434%0.3419%0.192SC..Hα-helixtrans-81-12.6178.6-67.6173.2000113.4I429 L430 N431 G435 F436 F437I429-L433 HydrophobicContact CG2-CD1 4.16Å; I429-L433 WeakPolarHBondContact O-CG 3.4Å; I429-L433 PolarHBondContact O-N 2.86Å; I429-L433 VanDerWaalsContact O-N 3.12Å; L430-L433 PolarHBondContact O-N 3.39Å; N431-L433 VanDerWaalsContact C-N 3.33Å; N431-L433 PolarHBondContact O-N 2.65Å; L433-G435 PolarHBondContact O-N 2.91Å; L433-F436 WeakPolarHBondContact O-CB 3.45Å; L433-F436 PolarHBondContact O-N 3.41Å; L433-F436 VanDerWaalsContact O-N 3.17Å; L433-F437 HydrophobicContact CB-CD2 4.17Å; L433-F437 HydrophobicContact CB-CE2 3.81Å; L433-F437 WeakPolarHBondContact O-CD2 3.31Å; L433-F437 PolarHBondContact O-N 2.62Å
434Q85.9Confident82.2Confident0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-59.3-46.9-177.3-172.3173.7-8.900111.9L233 M273 L430 N431 S432 F436 F437 I438L233-Q434 HydrophobicContact CD1-CG 4.08Å; M273-Q434 PolarHBondContact SD-NE2 2.83Å; L430-Q434 PolarHBondContact O-N 2.85Å; N431-Q434 WeakPolarHBondContact O-CB 3.28Å; N431-Q434 PolarHBondContact O-N 2.82Å; N431-Q434 PolarHBondContact OD1-OE1 3.21Å; S432-Q434 VanDerWaalsContact C-N 3.34Å; Q434-F436 VanDerWaalsContact C-N 3.3Å; Q434-F436 PolarHBondContact O-N 3.36Å; Q434-F437 PolarHBondContact O-N 3.29Å; Q434-I438 HydrophobicContact CG-CD1 4.23Å; Q434-I438 WeakPolarHBondContact O-CG1 3.38Å; Q434-I438 PolarHBondContact O-N 2.87Å
435G86.3Confident82.5Confident0 Ų042.3 Ų42.30%022%0.215CC..Hα-helixtrans-61.3-37.3176.600000113.1L433 F439L433-G435 PolarHBondContact O-N 2.91Å; G435-F439 PolarHBondContact O-N 3.32Å
436F87.1Confident82.5Confident74 Ų7440.8 Ų40.833%0.32521%0.211SC..Hα-helixtrans-64-48176.9170.8-104.3000112.3F203 L433 Q434 I438 F439 V440F203-F436 HydrophobicContact CD1-CD2 4.13Å; F203-F436 HydrophobicContact CD2-CB 3.77Å; F203-F436 HydrophobicContact CD2-CD2 4.13Å; F203-F436 HydrophobicContact CD2-CG 4.46Å; F203-F436 AromaticContact CE1-CD2 3.74Å; F203-F436 HydrophobicContact CE1-CD2 3.74Å; F203-F436 HydrophobicContact CE1-CE2 4.33Å; F203-F436 HydrophobicContact CE2-CB 4.02Å; F203-F436 AromaticContact CE2-CD2 3.71Å; F203-F436 HydrophobicContact CE2-CD2 3.71Å; F203-F436 HydrophobicContact CE2-CG 4.29Å; F203-F436 HydrophobicContact CG-CB 4.17Å; F203-F436 HydrophobicContact CG-CD2 4.33Å; F203-F436 AromaticContact CZ-CD2 3.52Å; F203-F436 HydrophobicContact CZ-CD2 3.52Å; F203-F436 HydrophobicContact CZ-CE2 4.15Å; L433-F436 WeakPolarHBondContact O-CB 3.45Å; L433-F436 PolarHBondContact O-N 3.41Å; L433-F436 VanDerWaalsContact O-N 3.17Å; Q434-F436 VanDerWaalsContact C-N 3.3Å; Q434-F436 PolarHBondContact O-N 3.36Å; F436-I438 VanDerWaalsContact C-N 3.33Å; F436-I438 PolarHBondContact O-N 2.79Å; F436-F439 WeakPolarHBondContact O-CB 3.3Å; F436-F439 PolarHBondContact O-N 2.83Å; F436-V440 HydrophobicContact CD2-CG2 4.24Å; F436-V440 HydrophobicContact CE1-CG2 4.07Å; F436-V440 HydrophobicContact CE2-CG2 3.78Å; F436-V440 HydrophobicContact CZ-CG2 3.69Å; F436-V440 WeakPolarHBondContact O-CG2 3.44Å; F436-V440 PolarHBondContact O-N 2.81Å
437F85.8Confident82.6Confident40 Ų4044.3 Ų44.318%0.17522%0.222CC..Hα-helixtrans-62.7-40.1-179.9-72.7-58000112.3C403 L433 Q434 V440 W441C403-F437 HydrophobicContact CB-CD2 3.83Å; C403-F437 HydrophobicContact CB-CE2 4.23Å; L433-F437 HydrophobicContact CB-CD2 4.17Å; L433-F437 HydrophobicContact CB-CE2 3.81Å; L433-F437 WeakPolarHBondContact O-CD2 3.31Å; L433-F437 PolarHBondContact O-N 2.62Å; Q434-F437 PolarHBondContact O-N 3.29Å; F437-V440 PolarHBondContact O-N 2.78Å; F437-W441 WeakPolarHBondContact O-CB 3.26Å; F437-W441 PolarHBondContact O-N 2.78Å
438I85.6Confident82.7Confident0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-61.5-45.6175.3-66.8167.8000110.5L229 L233 L404 Q434 F436 V440 W441 I442L229-I438 HydrophobicContact CD2-CD1 3.84Å; L229-I438 HydrophobicContact CG-CD1 4.12Å; L233-I438 HydrophobicContact CD1-CD1 3.41Å; L233-I438 VanDerWaalsContact CD1-CD1 3.41Å; L404-I438 HydrophobicContact CD1-CG1 4.27Å; Q434-I438 HydrophobicContact CG-CD1 4.23Å; Q434-I438 WeakPolarHBondContact O-CG1 3.38Å; Q434-I438 PolarHBondContact O-N 2.87Å; F436-I438 VanDerWaalsContact C-N 3.33Å; F436-I438 PolarHBondContact O-N 2.79Å; I438-V440 PolarHBondContact O-N 3.42Å; I438-W441 PolarHBondContact O-N 2.81Å; I438-I442 HydrophobicContact CG2-CD1 3.75Å; I438-I442 HydrophobicContact CG2-CG1 4.37Å; I438-I442 WeakPolarHBondContact O-CG1 3.19Å; I438-I442 PolarHBondContact O-N 2.86Å
439F88.1Confident82.6Confident47 Ų4751.5 Ų51.521%0.20625%0.253CS..Hα-helixtrans-59.8-46.9177.8174.9-104.7000112.8F203 S207 V210 G435 F436 W441 I442 C443F203-F439 HydrophobicContact CB-CB 4.17Å; F203-F439 HydrophobicContact CD1-CB 4.2Å; F203-F439 AromaticContact CD1-CD1 3.77Å; F203-F439 HydrophobicContact CD1-CD1 3.77Å; F203-F439 HydrophobicContact CD1-CE1 4.38Å; F203-F439 HydrophobicContact CD1-CG 4.03Å; F203-F439 HydrophobicContact CE1-CD1 4.18Å; S207-F439 WeakPolarHBondContact OG-CA 3.27Å; S207-F439 WeakPolarHBondContact OG-CB 3.05Å; V210-F439 HydrophobicContact CG2-CE2 3.97Å; G435-F439 PolarHBondContact O-N 3.32Å; F436-F439 WeakPolarHBondContact O-CB 3.3Å; F436-F439 PolarHBondContact O-N 2.83Å; F439-W441 VanDerWaalsContact C-N 3.29Å; F439-W441 PolarHBondContact O-N 3.33Å; F439-I442 PolarHBondContact O-N 2.83Å; F439-C443 VanDerWaalsContact CE2-SG 3.56Å; F439-C443 WeakPolarHBondContact CZ-SG 3.42Å; F439-C443 WeakPolarHBondContact O-CB 3.47Å; F439-C443 PolarHBondContact O-N 2.87Å; F439-C443 PolarHBondContact O-SG 2.9Å; F439-C443 VanDerWaalsContact O-SG 3.4Å
440V86.3Confident82.4Confident53 Ų5353 Ų5332%0.32125%0.253SS..Hα-helixtrans-59.2-44.1176.61720000110.3F436 F437 I438 C443 L444F436-V440 HydrophobicContact CD2-CG2 4.24Å; F436-V440 HydrophobicContact CE1-CG2 4.07Å; F436-V440 HydrophobicContact CE2-CG2 3.78Å; F436-V440 HydrophobicContact CZ-CG2 3.69Å; F436-V440 WeakPolarHBondContact O-CG2 3.44Å; F436-V440 PolarHBondContact O-N 2.81Å; F437-V440 PolarHBondContact O-N 2.78Å; I438-V440 PolarHBondContact O-N 3.42Å; V440-C443 PolarHBondContact O-N 3.08Å; V440-L444 HydrophobicContact CG1-CD1 3.88Å; V440-L444 HydrophobicContact CG1-CG 4.31Å; V440-L444 WeakPolarHBondContact O-CB 3.48Å; V440-L444 VanDerWaalsContact O-CG 3.27Å; V440-L444 WeakPolarHBondContact O-CG 3.44Å; V440-L444 PolarHBondContact O-N 2.78Å
441W81.6Confident82.4Confident104 Ų10459.5 Ų59.539%0.39428%0.276SS..Hα-helixtrans-63.1-44.9179.2-171.5-94.7000112.8H226 F437 I438 F439 L444 S445H226-W441 AromaticContact CD2-CD1 3.68Å; H226-W441 AromaticContact CD2-NE1 3.8Å; H226-W441 AromaticContact CE1-CD1 3.81Å; H226-W441 AromaticContact CE1-NE1 3.76Å; H226-W441 AromaticContact NE2-CD1 3.37Å; H226-W441 AromaticContact NE2-NE1 3.11Å; H226-W441 PolarHBondContact NE2-NE1 2.9Å; H226-W441 VanDerWaalsContact NE2-NE1 3.11Å; F437-W441 WeakPolarHBondContact O-CB 3.26Å; F437-W441 PolarHBondContact O-N 2.78Å; I438-W441 PolarHBondContact O-N 2.81Å; F439-W441 VanDerWaalsContact C-N 3.29Å; F439-W441 PolarHBondContact O-N 3.33Å; W441-L444 PolarHBondContact O-N 3.3Å; W441-S445 VanDerWaalsContact O-CB 3.3Å; W441-S445 WeakPolarHBondContact O-CB 3.48Å; W441-S445 PolarHBondContact O-N 2.75Å; W441-S445 PolarHBondContact O-OG 2.86Å
442I83.5Confident82.5Confident1 Ų163.4 Ų63.41%0.00529%0.291CS..Hα-helixtrans-61.3-45.4176.4-72173.4000110.2V210 M223 H226 V227 I438 F439 S445 A446V210-I442 HydrophobicContact CG1-CG2 4.06Å; M223-I442 HydrophobicContact CE-CG2 3.76Å; H226-I442 HydrophobicContact CB-CD1 4.07Å; H226-I442 HydrophobicContact CB-CG1 4.06Å; V227-I442 HydrophobicContact CG2-CD1 4.16Å; I438-I442 HydrophobicContact CG2-CD1 3.75Å; I438-I442 HydrophobicContact CG2-CG1 4.37Å; I438-I442 WeakPolarHBondContact O-CG1 3.19Å; I438-I442 PolarHBondContact O-N 2.86Å; F439-I442 PolarHBondContact O-N 2.83Å; I442-S445 PolarHBondContact O-N 2.85Å; I442-A446 VanDerWaalsContact O-CB 3.29Å; I442-A446 WeakPolarHBondContact O-CB 2.96Å; I442-A446 PolarHBondContact O-N 3.4Å
443C84.9Confident82.3Confident43 Ų4364.2 Ų64.229%0.29129%0.294SS..Hα-helixtrans-61.9-44.9177.2-76.50000112.6F439 V440 S445 A446 K447F439-C443 VanDerWaalsContact CE2-SG 3.56Å; F439-C443 WeakPolarHBondContact CZ-SG 3.42Å; F439-C443 WeakPolarHBondContact O-CB 3.47Å; F439-C443 PolarHBondContact O-N 2.87Å; F439-C443 PolarHBondContact O-SG 2.9Å; F439-C443 VanDerWaalsContact O-SG 3.4Å; V440-C443 PolarHBondContact O-N 3.08Å; C443-S445 VanDerWaalsContact C-N 3.35Å; C443-A446 PolarHBondContact O-N 2.81Å; C443-K447 WeakPolarHBondContact O-CB 3.47Å; C443-K447 PolarHBondContact O-N 2.94Å
444L82.6Confident82.1Confident105 Ų10566.9 Ų66.955%0.5531%0.306SS..Hα-helixtrans-63.9-41.5177.4-71.8175.2000111.7V440 W441 K447 K448V440-L444 HydrophobicContact CG1-CD1 3.88Å; V440-L444 HydrophobicContact CG1-CG 4.31Å; V440-L444 WeakPolarHBondContact O-CB 3.48Å; V440-L444 VanDerWaalsContact O-CG 3.27Å; V440-L444 WeakPolarHBondContact O-CG 3.44Å; V440-L444 PolarHBondContact O-N 2.78Å; W441-L444 PolarHBondContact O-N 3.3Å; L444-K447 PolarHBondContact O-N 2.79Å; L444-K448 WeakPolarHBondContact O-CB 3.32Å; L444-K448 PolarHBondContact O-N 2.99Å
445S77.2Confident82Confident41 Ų4171.8 Ų71.829%0.28733%0.329SS..Hα-helixtrans-65.6-45.7177.9-61.10000111.4W441 I442 C443 K447 K448 Q449W441-S445 VanDerWaalsContact O-CB 3.3Å; W441-S445 WeakPolarHBondContact O-CB 3.48Å; W441-S445 PolarHBondContact O-N 2.75Å; W441-S445 PolarHBondContact O-OG 2.86Å; I442-S445 PolarHBondContact O-N 2.85Å; C443-S445 VanDerWaalsContact C-N 3.35Å; S445-K447 PolarHBondContact O-N 2.99Å; S445-K448 PolarHBondContact O-N 2.87Å; S445-Q449 WeakPolarHBondContact O-CB 3.27Å; S445-Q449 PolarHBondContact O-N 2.81Å
446A79.4Confident81.6Confident9 Ų978 Ų787%0.07436%0.358CS..Hα-helixtrans-60.9-44.2175.100000111.7M223 I442 C443 K448 Q449 R450M223-A446 HydrophobicContact CE-CB 4.02Å; I442-A446 VanDerWaalsContact O-CB 3.29Å; I442-A446 WeakPolarHBondContact O-CB 2.96Å; I442-A446 PolarHBondContact O-N 3.4Å; C443-A446 PolarHBondContact O-N 2.81Å; A446-K448 PolarHBondContact O-N 3.46Å; A446-Q449 PolarHBondContact O-N 2.89Å; A446-R450 WeakPolarHBondContact O-CG 3.22Å; A446-R450 PolarHBondContact O-N 3.47Å
447K81.6Confident81.4Confident156 Ų15681 Ų8168%0.67837%0.371SS*.Hα-helixtrans-61.7-43.5176.5-174.7177.1-179176.80111.8C443 L444 S445 Q449 R450 R451C443-K447 WeakPolarHBondContact O-CB 3.47Å; C443-K447 PolarHBondContact O-N 2.94Å; L444-K447 PolarHBondContact O-N 2.79Å; S445-K447 PolarHBondContact O-N 2.99Å; K447-Q449 VanDerWaalsContact C-N 3.33Å; K447-Q449 PolarHBondContact O-N 2.85Å; K447-R450 PolarHBondContact O-N 3.33Å; K447-R451 PolarHBondContact O-N 3.12Å
448K79Confident81.2Confident141 Ų14183.4 Ų83.461%0.61339%0.389SS*.Hα-helixtrans-62.4-41.2177-174.4178.1-179-178.80111.4L444 S445 A446 R451 K452L444-K448 WeakPolarHBondContact O-CB 3.32Å; L444-K448 PolarHBondContact O-N 2.99Å; S445-K448 PolarHBondContact O-N 2.87Å; A446-K448 PolarHBondContact O-N 3.46Å; K448-R451 PolarHBondContact O-N 3.2Å; K448-K452 WeakPolarHBondContact O-CG 3.32Å; K448-K452 PolarHBondContact O-N 3.02Å; K448-K452 VanDerWaalsContact O-N 3.15Å
449Q75.1Confident80.9Confident55 Ų5586.9 Ų86.926%0.25741%0.413SS..Hα-helixtrans-66.4-47.8178.4-174.860.314.300112S445 A446 K447 R451 K452 E453S445-Q449 WeakPolarHBondContact O-CB 3.27Å; S445-Q449 PolarHBondContact O-N 2.81Å; A446-Q449 PolarHBondContact O-N 2.89Å; K447-Q449 VanDerWaalsContact C-N 3.33Å; K447-Q449 PolarHBondContact O-N 2.85Å; Q449-R451 PolarHBondContact O-N 3.29Å; Q449-K452 WeakPolarHBondContact O-CB 3.42Å; Q449-K452 PolarHBondContact O-N 3.4Å; Q449-K452 VanDerWaalsContact O-N 3.11Å; Q449-E453 PolarHBondContact NE2-OE1 3.05Å; Q449-E453 WeakPolarHBondContact O-CG 3.12Å; Q449-E453 PolarHBondContact O-N 3.3Å
450R77.4Confident80.3Confident113 Ų11387.6 Ų87.643%0.42642%0.424SS..Hα-helixtrans-56.5-39.8175.1-69.9-177-162.8175.83.8112.1N214 A446 K447 E453 M454N214-R450 PolarHBondContact ND2-NH2 3.34Å; N214-R450 PolarHBondContact OD1-NH2 3.27Å; A446-R450 WeakPolarHBondContact O-CG 3.22Å; A446-R450 PolarHBondContact O-N 3.47Å; K447-R450 PolarHBondContact O-N 3.33Å; R450-E453 PolarHBondContact O-N 3.41Å; R450-M454 HydrophobicContact CB-CE 4.27Å; R450-M454 VanDerWaalsContact O-CG 3.31Å; R450-M454 WeakPolarHBondContact O-CG 3.47Å; R450-M454 PolarHBondContact O-N 2.92Å
451R80.8Confident79.9Confident168 Ų16890.7 Ų90.763%0.63444%0.437SS*.Hα-helixtrans-62.6-45.4176.6-174.2-179.6174.2166.17.6111.9K447 K448 Q449 E453 M454 E455K447-R451 PolarHBondContact O-N 3.12Å; K448-R451 PolarHBondContact O-N 3.2Å; Q449-R451 PolarHBondContact O-N 3.29Å; R451-E453 VanDerWaalsContact C-N 3.33Å; R451-E453 PolarHBondContact O-N 3.14Å; R451-M454 PolarHBondContact O-N 2.6Å; R451-E455 WeakPolarHBondContact CG-OE1 3.18Å; R451-E455 IonicContact CZ-OE1 2.99Å; R451-E455 IonicContact NE-OE1 2.92Å; R451-E455 PolarHBondContact NE-OE1 2.94Å; R451-E455 IonicContact NH2-OE1 2.68Å; R451-E455 WeakPolarHBondContact O-CG 3.46Å; R451-E455 PolarHBondContact O-N 3Å
452K78.3Confident79.5Confident101 Ų10189.8 Ų89.844%0.43944%0.443SS..Hα-helixtrans-61.1-41.4176.8-72.6179.2174.9-175.30112.3K448 Q449 E455 Q456K448-K452 WeakPolarHBondContact O-CG 3.32Å; K448-K452 PolarHBondContact O-N 3.02Å; K448-K452 VanDerWaalsContact O-N 3.15Å; Q449-K452 WeakPolarHBondContact O-CB 3.42Å; Q449-K452 PolarHBondContact O-N 3.4Å; Q449-K452 VanDerWaalsContact O-N 3.11Å; K452-E455 PolarHBondContact O-N 2.76Å; K452-Q456 WeakPolarHBondContact O-CG 3.2Å; K452-Q456 PolarHBondContact O-N 2.78Å
453E77.8Confident78.8Confident33 Ų3392.2 Ų92.215%0.15446%0.463CS..Hα-helixtrans-66.5-39177.4-69.8169.5-164.800112.2N217 Q449 R450 R451 Q456 K457N217-E453 WeakPolarHBondContact CB-OE1 3.41Å; N217-E453 PolarHBondContact ND2-OE1 3.08Å; N217-E453 PolarHBondContact ND2-OE2 3.47Å; Q449-E453 PolarHBondContact NE2-OE1 3.05Å; Q449-E453 WeakPolarHBondContact O-CG 3.12Å; Q449-E453 PolarHBondContact O-N 3.3Å; R450-E453 PolarHBondContact O-N 3.41Å; R451-E453 VanDerWaalsContact C-N 3.33Å; R451-E453 PolarHBondContact O-N 3.14Å; E453-Q456 PolarHBondContact O-N 3.44Å; E453-K457 WeakPolarHBondContact O-CB 3.36Å; E453-K457 WeakPolarHBondContact O-CG 3.32Å; E453-K457 PolarHBondContact O-N 3.49Å
454M80.4Confident78Confident121 Ų12194.8 Ų94.860%0.59648%0.477SS*.Hα-helixtrans-63.1-44.7172.4-70.1177.1-15400111.1R450 R451 Q456 K457 V458R450-M454 HydrophobicContact CB-CE 4.27Å; R450-M454 VanDerWaalsContact O-CG 3.31Å; R450-M454 WeakPolarHBondContact O-CG 3.47Å; R450-M454 PolarHBondContact O-N 2.92Å; R451-M454 PolarHBondContact O-N 2.6Å; M454-Q456 VanDerWaalsContact C-N 3.33Å; M454-Q456 PolarHBondContact O-N 2.98Å; M454-K457 PolarHBondContact O-N 2.85Å; M454-V458 WeakPolarHBondContact O-CB 3.32Å; M454-V458 VanDerWaalsContact O-CG2 3.28Å; M454-V458 WeakPolarHBondContact O-CG2 3.29Å; M454-V458 PolarHBondContact O-N 3.45Å
455E82.6Confident77Confident102 Ų10293 Ų9348%0.47747%0.474SS..Hα-helixtrans-60.5-40.8176.7-73168-176.700111.6R451 K452 V458 S459R451-E455 WeakPolarHBondContact CG-OE1 3.18Å; R451-E455 IonicContact CZ-OE1 2.99Å; R451-E455 IonicContact NE-OE1 2.92Å; R451-E455 PolarHBondContact NE-OE1 2.94Å; R451-E455 IonicContact NH2-OE1 2.68Å; R451-E455 WeakPolarHBondContact O-CG 3.46Å; R451-E455 PolarHBondContact O-N 3Å; K452-E455 PolarHBondContact O-N 2.76Å; E455-V458 PolarHBondContact O-N 2.59Å; E455-S459 PolarHBondContact O-N 3.47Å; E455-S459 PolarHBondContact O-OG 3.46Å
456Q79.5Confident76.2Confident130 Ų13094.2 Ų94.261%0.60748%0.482SS*.Hα-helixtrans-68.1-38.2174.3-76.9179.6-24.200113.5K452 E453 M454 S459 S460K452-Q456 WeakPolarHBondContact O-CG 3.2Å; K452-Q456 PolarHBondContact O-N 2.78Å; E453-Q456 PolarHBondContact O-N 3.44Å; M454-Q456 VanDerWaalsContact C-N 3.33Å; M454-Q456 PolarHBondContact O-N 2.98Å; Q456-S459 WeakPolarHBondContact CA-OG 3.35Å; Q456-S459 PolarHBondContact O-OG 3.15Å; Q456-S460 WeakPolarHBondContact O-CB 3.22Å; Q456-S460 PolarHBondContact O-N 2.96Å; Q456-S460 PolarHBondContact O-OG 2.85Å
457K81.4Confident75.1Confident139 Ų13999.1 Ų99.160%0.60451%0.507SS*.Hα-helixtrans-66.4-40.6174.5-78.2180179.4-179.20111.5E453 M454 S460 I461E453-K457 WeakPolarHBondContact O-CB 3.36Å; E453-K457 WeakPolarHBondContact O-CG 3.32Å; E453-K457 PolarHBondContact O-N 3.49Å; M454-K457 PolarHBondContact O-N 2.85Å; K457-S460 WeakPolarHBondContact CA-OG 3.47Å; K457-S460 PolarHBondContact O-OG 3.04Å; K457-I461 WeakPolarHBondContact O-CB 3.41Å; K457-I461 WeakPolarHBondContact O-CD1 3.38Å; K457-I461 WeakPolarHBondContact O-CG1 3.2Å; K457-I461 PolarHBondContact O-N 2.68Å
458V82.6Confident73.9Confident90 Ų9096.5 Ų96.555%0.54551%0.505SS..Hα-helixtrans-67-42.5177.1172.10000111.3M454 E455 I461 T462M454-V458 WeakPolarHBondContact O-CB 3.32Å; M454-V458 VanDerWaalsContact O-CG2 3.28Å; M454-V458 WeakPolarHBondContact O-CG2 3.29Å; M454-V458 PolarHBondContact O-N 3.45Å; E455-V458 PolarHBondContact O-N 2.59Å; V458-I461 PolarHBondContact O-N 3.39Å; V458-T462 WeakPolarHBondContact O-CB 3.26Å; V458-T462 PolarHBondContact O-N 2.89Å; V458-T462 PolarHBondContact O-OG1 3.17Å
459S78.8Confident72.6Confident72 Ų7298.3 Ų98.350%0.50351%0.512SS..Hα-helixtrans-65.8-40.2177.564.40000112.8E455 Q456 T462 A463E455-S459 PolarHBondContact O-N 3.47Å; E455-S459 PolarHBondContact O-OG 3.46Å; Q456-S459 WeakPolarHBondContact CA-OG 3.35Å; Q456-S459 PolarHBondContact O-OG 3.15Å; S459-T462 PolarHBondContact O-N 3.44Å; S459-A463 PolarHBondContact O-N 3.03Å
460S75.4Confident71.5Confident63 Ų63103.5 Ų103.544%0.44154%0.539SS..Hα-helixtrans-65.9-41175.6450000112.8Q456 K457 T462 A463 V464Q456-S460 WeakPolarHBondContact O-CB 3.22Å; Q456-S460 PolarHBondContact O-N 2.96Å; Q456-S460 PolarHBondContact O-OG 2.85Å; K457-S460 WeakPolarHBondContact CA-OG 3.47Å; K457-S460 PolarHBondContact O-OG 3.04Å; S460-T462 VanDerWaalsContact C-N 3.3Å; S460-T462 PolarHBondContact O-N 3.39Å; S460-A463 PolarHBondContact O-N 3.48Å; S460-V464 WeakPolarHBondContact O-CG2 3.34Å; S460-V464 PolarHBondContact O-N 3.31Å; S460-V464 VanDerWaalsContact O-N 3.15Å
461I77.8Confident69.8Low117 Ų117108 Ų10860%0.657%0.571SS**Hα-helixtrans-62.7-39173.5-68164.2000111.3K457 V458 S465K457-I461 WeakPolarHBondContact O-CB 3.41Å; K457-I461 WeakPolarHBondContact O-CD1 3.38Å; K457-I461 WeakPolarHBondContact O-CG1 3.2Å; K457-I461 PolarHBondContact O-N 2.68Å; V458-I461 PolarHBondContact O-N 3.39Å; I461-S465 WeakPolarHBondContact O-CB 3.45Å; I461-S465 PolarHBondContact O-N 3.37Å; I461-S465 VanDerWaalsContact O-N 3.12Å
462T73.9Confident69.2Low86 Ų86105.1 Ų105.153%0.52857%0.568SS.*Hα-helixtrans-68.6-38.3179.9-50.90000111.6V458 S459 S460 S465 S466V458-T462 WeakPolarHBondContact O-CB 3.26Å; V458-T462 PolarHBondContact O-N 2.89Å; V458-T462 PolarHBondContact O-OG1 3.17Å; S459-T462 PolarHBondContact O-N 3.44Å; S460-T462 VanDerWaalsContact C-N 3.3Å; S460-T462 PolarHBondContact O-N 3.39Å; T462-S465 PolarHBondContact O-N 3.47Å; T462-S466 PolarHBondContact O-N 2.99Å; T462-S466 VanDerWaalsContact O-N 3.16Å; T462-S466 PolarHBondContact O-OG 2.86Å
463A67.6Low68.8Low51 Ų51105.3 Ų105.342%0.42158%0.575SS.*Hα-helixtrans-65.4-41.6175.900000112.9S459 S460 S465 S466 D467S459-A463 PolarHBondContact O-N 3.03Å; S460-A463 PolarHBondContact O-N 3.48Å; A463-S465 VanDerWaalsContact C-N 3.33Å; A463-S465 PolarHBondContact O-N 3.42Å; A463-S466 PolarHBondContact O-N 3.44Å; A463-S466 PolarHBondContact O-OG 3.21Å; A463-D467 PolarHBondContact O-N 3.41Å
464V68.9Low68.3Low97 Ų97109.3 Ų109.359%0.58860%0.598SS**Hα-helixtrans-66.1-36.8176.2175.40000111.5S460 D467 T468S460-V464 WeakPolarHBondContact O-CG2 3.34Å; S460-V464 PolarHBondContact O-N 3.31Å; S460-V464 VanDerWaalsContact O-N 3.15Å; V464-D467 PolarHBondContact O-N 3.05Å; V464-T468 PolarHBondContact O-N 2.98Å; V464-T468 PolarHBondContact O-OG1 3.34Å
465S62.6Low67.6Low69 Ų69108.6 Ų108.648%0.48360%0.598SS.*Hα-helixtrans-66.8-34.6177.1178.80000113.5I461 T462 A463I461-S465 WeakPolarHBondContact O-CB 3.45Å; I461-S465 PolarHBondContact O-N 3.37Å; I461-S465 VanDerWaalsContact O-N 3.12Å; T462-S465 PolarHBondContact O-N 3.47Å; A463-S465 VanDerWaalsContact C-N 3.33Å; A463-S465 PolarHBondContact O-N 3.42Å
466S59.2Low66.6Low65 Ų65109 Ų10946%0.45561%0.606SS.*Hα-helixtrans-70.4-37.8175.744.50000113T462 A463 T468 K469T462-S466 PolarHBondContact O-N 2.99Å; T462-S466 VanDerWaalsContact O-N 3.16Å; T462-S466 PolarHBondContact O-OG 2.86Å; A463-S466 PolarHBondContact O-N 3.44Å; A463-S466 PolarHBondContact O-OG 3.21Å; S466-T468 VanDerWaalsContact C-N 3.34Å; S466-K469 PolarHBondContact O-N 3.28Å
467D56Low65.8Low113 Ų113107.6 Ų107.660%0.60461%0.606SS**Hα-helixtrans-69.3-33.8178.4-72.5-19.3000111.6A463 V464 K469 M470A463-D467 PolarHBondContact O-N 3.41Å; V464-D467 PolarHBondContact O-N 3.05Å; D467-K469 PolarHBondContact O-N 3.26Å; D467-M470 PolarHBondContact O-N 3.34Å
468T56.2Low64.6Low101 Ų101105.4 Ų105.462%0.6261%0.606SS**THydrogen-bonded Turntrans-73.8-10178.9-360000113.5V464 S466V464-T468 PolarHBondContact O-N 2.98Å; V464-T468 PolarHBondContact O-OG1 3.34Å; S466-T468 VanDerWaalsContact C-N 3.34Å
469K53.3Low63.3Low179 Ų179106.5 Ų106.578%0.77861%0.611SS**THydrogen-bonded Turntrans-99.8-3.8177.4-95.8-175.9177.2-179.50113.7S466 D467S466-K469 PolarHBondContact O-N 3.28Å; D467-K469 PolarHBondContact O-N 3.26Å
470M50.5Low62Low164 Ų164109.4 Ų109.481%0.80862%0.62SS**  trans-101-3.2179.3-84-178.86200114.2D467D467-M470 PolarHBondContact O-N 3.34Å
471D42.3Very low60.8Low208 Ų208113.6 Ų113.6100%1.11264%0.636SS**  trans-101.90164-70.1-28.5000109.9

Retrieved 471 of 471 residues in 1405.9 ms (Link to these results)

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