MYL6_BOVIN Loading...

Myosin light polypeptide 6

Regulatory light chain of myosin. Does not bind calcium.

AlphaFold DB , UniProt , Accession P60661, Species BOVIN (Bos taurus, Bovine), Gene MYL6, Length 151 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
1M59.1Low88.3Confident228 Ų22899.5 Ų99.5100%1.12352%0.524SS*.  0140.30-85.217317800107.1
2C73.6Confident89.1Confident47 Ų4793.1 Ų93.132%0.31849%0.489SS..  trans-73.9142175.9-68.80000110.6F4 Q75C2-F4 HydrophobicContact CB-CD2 4.24Å; C2-F4 PolarHBondContact O-N 3.16Å; C2-Q75 PolarHBondContact SG-OE1 3.01Å
3D86.9Confident89.6Confident111 Ų11193.9 Ų93.959%0.59449%0.486SS*.  trans-86.56.1-175.3-58.8-32.2000112.3Q75 K79D3-Q75 PolarHBondContact OD2-NE2 3.11Å; D3-K79 WeakPolarHBondContact OD2-CE 3.33Å; D3-K79 IonicContact OD2-NZ 3.91Å; D3-K79 PolarHBondContact OD2-NZ 3.02Å
4F90.7Very high90Very high40 Ų4096.9 Ų96.918%0.17550%0.496CS..  trans-79.5144.8179.1-60.5-56.9000111C2 Q8 F12 L71 L74 Q75 A78C2-F4 HydrophobicContact CB-CD2 4.24Å; C2-F4 PolarHBondContact O-N 3.16Å; F4-Q8 HydrophobicContact CB-CB 4.13Å; F4-F12 HydrophobicContact CB-CE2 4.3Å; F4-F12 AromaticContact CD1-CE2 3.61Å; F4-F12 HydrophobicContact CD1-CE2 3.61Å; F4-F12 HydrophobicContact CD1-CZ 4.17Å; F4-F12 HydrophobicContact CD2-CD2 4.23Å; F4-F12 AromaticContact CD2-CE2 3.77Å; F4-F12 HydrophobicContact CD2-CE2 3.77Å; F4-F12 AromaticContact CE1-CE2 3.71Å; F4-F12 HydrophobicContact CE1-CE2 3.71Å; F4-F12 HydrophobicContact CE1-CZ 4.09Å; F4-F12 HydrophobicContact CE2-CD2 4.41Å; F4-F12 AromaticContact CE2-CE2 3.85Å; F4-F12 HydrophobicContact CE2-CE2 3.85Å; F4-F12 HydrophobicContact CG-CD2 4.38Å; F4-F12 AromaticContact CG-CE2 3.64Å; F4-F12 HydrophobicContact CG-CE2 3.64Å; F4-F12 AromaticContact CZ-CE2 3.81Å; F4-F12 HydrophobicContact CZ-CE2 3.81Å; F4-F12 HydrophobicContact CZ-CZ 4.43Å; F4-L71 HydrophobicContact CD2-CD2 4.14Å; F4-L74 HydrophobicContact CE2-CD2 4.26Å; F4-L74 HydrophobicContact CE2-CG 4.33Å; F4-L74 HydrophobicContact CZ-CD2 4.32Å; F4-L74 HydrophobicContact CZ-CG 4.2Å; F4-Q75 HydrophobicContact CD2-CB 4.5Å; F4-Q75 HydrophobicContact CE2-CB 3.61Å; F4-Q75 HydrophobicContact CE2-CG 4.09Å; F4-Q75 HydrophobicContact CZ-CB 3.95Å; F4-Q75 HydrophobicContact CZ-CG 4.22Å; F4-A78 HydrophobicContact CZ-CB 4.3Å
5T93.6Very high90.4Very high76 Ų7691.6 Ų91.647%0.46647%0.473SS..  trans-68.1164.517367.70000110.8D7 Q8 T9T5-D7 VanDerWaalsContact C-N 3.27Å; T5-D7 PolarHBondContact O-N 2.87Å; T5-Q8 PolarHBondContact O-N 2.78Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.46Å; T5-Q8 PolarHBondContact OG1-N 3.37Å; T5-Q8 VanDerWaalsContact OG1-N 3.14Å; T5-T9 WeakPolarHBondContact O-CB 3.28Å; T5-T9 PolarHBondContact O-N 2.84Å; T5-T9 PolarHBondContact O-OG1 3.25Å
6E93.4Very high90.8Very high174 Ų17486 Ų8681%0.81344%0.444SS*.Hα-helixtrans-59.2-41174.1-68-175.9169.500111.3T9 A10E6-T9 PolarHBondContact O-N 3.49Å; E6-A10 PolarHBondContact O-N 2.79Å
7D94.1Very high91.2Very high134 Ų13487.2 Ų87.272%0.71745%0.447SS*.Hα-helixtrans-62.4-46.9176.9-64.7-24.3000112T5 T9 A10 E11T5-D7 VanDerWaalsContact C-N 3.27Å; T5-D7 PolarHBondContact O-N 2.87Å; D7-T9 VanDerWaalsContact C-N 3.29Å; D7-T9 PolarHBondContact O-N 3.05Å; D7-A10 WeakPolarHBondContact O-CB 3.16Å; D7-A10 PolarHBondContact O-N 2.75Å; D7-E11 PolarHBondContact O-N 2.94Å
8Q94.2Very high91.5Very high74 Ų7490.8 Ų90.835%0.34647%0.466SS..Hα-helixtrans-61.2-41.6175.4-74.3177.7-49.200111.3F4 T5 A10 E11 F12F4-Q8 HydrophobicContact CB-CB 4.13Å; T5-Q8 PolarHBondContact O-N 2.78Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.46Å; T5-Q8 PolarHBondContact OG1-N 3.37Å; T5-Q8 VanDerWaalsContact OG1-N 3.14Å; Q8-A10 VanDerWaalsContact C-N 3.29Å; Q8-A10 PolarHBondContact O-N 3.11Å; Q8-E11 PolarHBondContact O-N 3.05Å; Q8-F12 HydrophobicContact CB-CE2 4.16Å; Q8-F12 HydrophobicContact CB-CZ 4.22Å; Q8-F12 WeakPolarHBondContact O-CB 3.33Å; Q8-F12 WeakPolarHBondContact O-CD1 3.19Å; Q8-F12 VanDerWaalsContact O-CD2 3.3Å; Q8-F12 WeakPolarHBondContact O-CD2 3.39Å; Q8-F12 WeakPolarHBondContact O-CG 3.4Å; Q8-F12 PolarHBondContact O-N 3.32Å
9T95.3Very high91.7Very high38 Ų3888.9 Ų88.923%0.23346%0.455CS..Hα-helixtrans-64.3-37.2178.9-57.10000111.4T5 E6 D7 K13 F67 L71T5-T9 WeakPolarHBondContact O-CB 3.28Å; T5-T9 PolarHBondContact O-N 2.84Å; T5-T9 PolarHBondContact O-OG1 3.25Å; E6-T9 PolarHBondContact O-N 3.49Å; D7-T9 VanDerWaalsContact C-N 3.29Å; D7-T9 PolarHBondContact O-N 3.05Å; T9-K13 WeakPolarHBondContact O-CB 3.43Å; T9-K13 PolarHBondContact O-N 3.31Å; T9-F67 HydrophobicContact CG2-CE1 3.92Å; T9-F67 HydrophobicContact CG2-CZ 4.15Å; T9-F67 WeakPolarHBondContact O-CZ 3.21Å; T9-L71 HydrophobicContact CG2-CD1 3.86Å; T9-L71 HydrophobicContact CG2-CD2 4.37Å
10A95.2Very high91.9Very high49 Ų4985.6 Ų85.641%0.40544%0.438SS..Hα-helixtrans-65.5-47.3174.600000111.6E6 D7 Q8 F12 K13 E14E6-A10 PolarHBondContact O-N 2.79Å; D7-A10 WeakPolarHBondContact O-CB 3.16Å; D7-A10 PolarHBondContact O-N 2.75Å; Q8-A10 VanDerWaalsContact C-N 3.29Å; Q8-A10 PolarHBondContact O-N 3.11Å; A10-F12 VanDerWaalsContact C-N 3.34Å; A10-F12 PolarHBondContact O-N 2.93Å; A10-K13 WeakPolarHBondContact O-CB 3.44Å; A10-K13 PolarHBondContact O-N 3.29Å; A10-K13 VanDerWaalsContact O-N 3.1Å; A10-E14 PolarHBondContact O-N 3.09Å
11E95.6Very high91.9Very high124 Ų12491.8 Ų91.858%0.57946%0.456SS*.Hα-helixtrans-58.9-44.2176.2-174.8177.6-17100111.7D7 Q8 K13 E14 A15D7-E11 PolarHBondContact O-N 2.94Å; Q8-E11 PolarHBondContact O-N 3.05Å; E11-K13 VanDerWaalsContact C-N 3.27Å; E11-K13 PolarHBondContact O-N 3.09Å; E11-E14 PolarHBondContact O-N 3.27Å; E11-A15 PolarHBondContact O-N 3.36Å
12F97Very high93.5Very high22 Ų2286 Ų8610%0.09643%0.433CS..Hα-helixtrans-63.3-35176.3-61.3-17.9000112.5F4 Q8 A10 F16 L39 F67 L71 L74F4-F12 HydrophobicContact CB-CE2 4.3Å; F4-F12 AromaticContact CD1-CE2 3.61Å; F4-F12 HydrophobicContact CD1-CE2 3.61Å; F4-F12 HydrophobicContact CD1-CZ 4.17Å; F4-F12 HydrophobicContact CD2-CD2 4.23Å; F4-F12 AromaticContact CD2-CE2 3.77Å; F4-F12 HydrophobicContact CD2-CE2 3.77Å; F4-F12 AromaticContact CE1-CE2 3.71Å; F4-F12 HydrophobicContact CE1-CE2 3.71Å; F4-F12 HydrophobicContact CE1-CZ 4.09Å; F4-F12 HydrophobicContact CE2-CD2 4.41Å; F4-F12 AromaticContact CE2-CE2 3.85Å; F4-F12 HydrophobicContact CE2-CE2 3.85Å; F4-F12 HydrophobicContact CG-CD2 4.38Å; F4-F12 AromaticContact CG-CE2 3.64Å; F4-F12 HydrophobicContact CG-CE2 3.64Å; F4-F12 AromaticContact CZ-CE2 3.81Å; F4-F12 HydrophobicContact CZ-CE2 3.81Å; F4-F12 HydrophobicContact CZ-CZ 4.43Å; Q8-F12 HydrophobicContact CB-CE2 4.16Å; Q8-F12 HydrophobicContact CB-CZ 4.22Å; Q8-F12 WeakPolarHBondContact O-CB 3.33Å; Q8-F12 WeakPolarHBondContact O-CD1 3.19Å; Q8-F12 VanDerWaalsContact O-CD2 3.3Å; Q8-F12 WeakPolarHBondContact O-CD2 3.39Å; Q8-F12 WeakPolarHBondContact O-CG 3.4Å; Q8-F12 PolarHBondContact O-N 3.32Å; A10-F12 VanDerWaalsContact C-N 3.34Å; A10-F12 PolarHBondContact O-N 2.93Å; F12-F16 VanDerWaalsContact O-CB 3.24Å; F12-F16 WeakPolarHBondContact O-CB 3.49Å; F12-F16 PolarHBondContact O-N 2.98Å; F12-L39 HydrophobicContact CB-CD1 4.15Å; F12-L39 HydrophobicContact CD1-CD1 3.93Å; F12-L39 HydrophobicContact CD1-CD2 3.56Å; F12-L39 HydrophobicContact CD1-CG 4.26Å; F12-L39 HydrophobicContact CE1-CD2 4.17Å; F12-L39 HydrophobicContact CG-CD1 4.13Å; F12-L39 HydrophobicContact CG-CD2 4.43Å; F12-F67 HydrophobicContact CB-CE2 3.95Å; F12-F67 HydrophobicContact CB-CZ 3.98Å; F12-L71 HydrophobicContact CD2-CD2 4Å; F12-L74 HydrophobicContact CB-CD2 4.48Å; F12-L74 HydrophobicContact CD1-CD2 4.3Å; F12-L74 HydrophobicContact CD2-CD2 3.51Å; F12-L74 HydrophobicContact CE1-CD2 4.42Å; F12-L74 HydrophobicContact CE2-CD2 3.65Å; F12-L74 HydrophobicContact CG-CD2 3.85Å; F12-L74 HydrophobicContact CZ-CD2 4.11Å
13K96.2Very high94.4Very high104 Ų10487 Ų8745%0.45245%0.452SS..Hα-helixtrans-69.2-41.4177.1-168.6173.8-178.2175.30111.5T9 A10 E11 F16 Q17 F67T9-K13 WeakPolarHBondContact O-CB 3.43Å; T9-K13 PolarHBondContact O-N 3.31Å; A10-K13 WeakPolarHBondContact O-CB 3.44Å; A10-K13 PolarHBondContact O-N 3.29Å; A10-K13 VanDerWaalsContact O-N 3.1Å; E11-K13 VanDerWaalsContact C-N 3.27Å; E11-K13 PolarHBondContact O-N 3.09Å; K13-F16 PolarHBondContact O-N 3.24Å; K13-Q17 VanDerWaalsContact O-CG 3.29Å; K13-Q17 WeakPolarHBondContact O-CG 3.29Å; K13-Q17 PolarHBondContact O-N 3.26Å; K13-F67 VanDerWaalsContact CA-CE2 3.48Å; K13-F67 HydrophobicContact CB-CD1 4.26Å; K13-F67 HydrophobicContact CB-CD2 4.43Å; K13-F67 HydrophobicContact CB-CE1 3.73Å; K13-F67 HydrophobicContact CB-CE2 3.97Å; K13-F67 HydrophobicContact CB-CZ 3.59Å; K13-F67 HydrophobicContact CD-CD1 4.21Å; K13-F67 HydrophobicContact CD-CE1 4.2Å; K13-F67 HydrophobicContact CG-CD1 4.06Å; K13-F67 HydrophobicContact CG-CD2 4.5Å; K13-F67 HydrophobicContact CG-CE1 4.03Å; K13-F67 HydrophobicContact CG-CG 4.28Å; K13-F67 HydrophobicContact CG-CZ 4.28Å
14E95.6Very high94.8Very high135 Ų13585.6 Ų85.663%0.63144%0.444SS*.Hα-helixtrans-61.3-47.7175.1-71.3-177177.800110.9A10 E11 F16 Q17 L18A10-E14 PolarHBondContact O-N 3.09Å; E11-E14 PolarHBondContact O-N 3.27Å; E14-F16 PolarHBondContact O-N 3.33Å; E14-Q17 PolarHBondContact O-N 3.21Å; E14-L18 PolarHBondContact O-N 2.85Å
15A95.5Very high95Very high18 Ų1885.3 Ų85.315%0.14945%0.453CS..Hα-helixtrans-60.1-45.6175.400000112E11 Q17 L18 F19 L39E11-A15 PolarHBondContact O-N 3.36Å; A15-Q17 VanDerWaalsContact C-N 3.28Å; A15-Q17 PolarHBondContact O-N 3.46Å; A15-L18 WeakPolarHBondContact O-CB 3.01Å; A15-L18 PolarHBondContact O-N 2.99Å; A15-L18 VanDerWaalsContact O-N 3.09Å; A15-F19 WeakPolarHBondContact O-CD2 3.48Å; A15-L39 HydrophobicContact CB-CD2 3.45Å; A15-L39 VanDerWaalsContact CB-CD2 3.45Å; A15-L39 HydrophobicContact CB-CG 4.19Å
16F97.4Very high95.2Very high2 Ų285.1 Ų85.11%0.00945%0.445CS..Hα-helixtrans-57.9-40.9177.4-175.6-82.6000112.1F12 K13 E14 L18 F19 D20 G25 I27 V35 L65 F67 F70F12-F16 VanDerWaalsContact O-CB 3.24Å; F12-F16 WeakPolarHBondContact O-CB 3.49Å; F12-F16 PolarHBondContact O-N 2.98Å; K13-F16 PolarHBondContact O-N 3.24Å; E14-F16 PolarHBondContact O-N 3.33Å; F16-L18 VanDerWaalsContact C-N 3.27Å; F16-L18 PolarHBondContact O-N 2.72Å; F16-F19 PolarHBondContact O-N 2.87Å; F16-F19 VanDerWaalsContact O-N 3.09Å; F16-D20 PolarHBondContact O-N 3.19Å; F16-G25 WeakPolarHBondContact CE1-O 3.36Å; F16-I27 HydrophobicContact CD1-CG2 4.32Å; F16-I27 HydrophobicContact CD2-CD1 4Å; F16-I27 HydrophobicContact CD2-CG2 4.49Å; F16-I27 HydrophobicContact CE1-CG2 3.9Å; F16-I27 HydrophobicContact CE2-CB 4.44Å; F16-I27 HydrophobicContact CE2-CD1 3.43Å; F16-I27 VanDerWaalsContact CE2-CD1 3.43Å; F16-I27 HydrophobicContact CE2-CG1 3.61Å; F16-I27 HydrophobicContact CE2-CG2 4.1Å; F16-I27 HydrophobicContact CZ-CB 4.19Å; F16-I27 HydrophobicContact CZ-CD1 4.03Å; F16-I27 HydrophobicContact CZ-CG1 3.66Å; F16-I27 HydrophobicContact CZ-CG2 3.79Å; F16-V35 HydrophobicContact CD2-CG1 4.34Å; F16-L65 WeakPolarHBondContact CZ-O 3.48Å; F16-F67 HydrophobicContact CB-CD2 3.81Å; F16-F67 HydrophobicContact CB-CE2 4.2Å; F16-F67 HydrophobicContact CD1-CB 4.28Å; F16-F67 HydrophobicContact CD1-CD2 4.3Å; F16-F67 AromaticContact CD2-CD2 3.95Å; F16-F67 HydrophobicContact CD2-CD2 3.95Å; F16-F67 HydrophobicContact CE1-CB 4.26Å; F16-F67 AromaticContact CG-CD2 3.77Å; F16-F67 HydrophobicContact CG-CD2 3.77Å; F16-F67 HydrophobicContact CZ-CB 4.44Å; F16-F70 HydrophobicContact CD2-CB 4.21Å; F16-F70 AromaticContact CD2-CD1 3.82Å; F16-F70 HydrophobicContact CD2-CD1 3.82Å; F16-F70 HydrophobicContact CD2-CD2 4.48Å; F16-F70 HydrophobicContact CD2-CE1 4.3Å; F16-F70 AromaticContact CD2-CG 3.92Å; F16-F70 HydrophobicContact CD2-CG 3.92Å; F16-F70 HydrophobicContact CE2-CB 3.76Å; F16-F70 HydrophobicContact CE2-CD1 4.22Å; F16-F70 HydrophobicContact CE2-CD2 4.33Å; F16-F70 AromaticContact CE2-CG 3.86Å; F16-F70 HydrophobicContact CE2-CG 3.86Å
17Q96.3Very high95.4Very high107 Ų10777 Ų7750%0.541%0.407SS..Hα-helixtrans-65.4-27.1177.9-75.5175.9-10.300113.3K13 E14 A15 F19 D20K13-Q17 VanDerWaalsContact O-CG 3.29Å; K13-Q17 WeakPolarHBondContact O-CG 3.29Å; K13-Q17 PolarHBondContact O-N 3.26Å; E14-Q17 PolarHBondContact O-N 3.21Å; A15-Q17 VanDerWaalsContact C-N 3.28Å; A15-Q17 PolarHBondContact O-N 3.46Å; Q17-F19 PolarHBondContact O-N 2.92Å; Q17-D20 PolarHBondContact O-N 3.23Å
18L96.4Very high95.6Very high151 Ų15173 Ų7379%0.79139%0.386SS*.Hα-helixtrans-65.1-23173.6-63.4174.9000112.7E14 A15 F16E14-L18 PolarHBondContact O-N 2.85Å; A15-L18 WeakPolarHBondContact O-CB 3.01Å; A15-L18 PolarHBondContact O-N 2.99Å; A15-L18 VanDerWaalsContact O-N 3.09Å; F16-L18 VanDerWaalsContact C-N 3.27Å; F16-L18 PolarHBondContact O-N 2.72Å
19F96.5Very high95.7Very high56 Ų5671.4 Ų71.425%0.24638%0.377CS..Hα-helixtrans-96.6-14.7178.5-72.6-98.1000113.7A15 F16 Q17 R21 I27 Q31 D34 V35 A38A15-F19 WeakPolarHBondContact O-CD2 3.48Å; F16-F19 PolarHBondContact O-N 2.87Å; F16-F19 VanDerWaalsContact O-N 3.09Å; Q17-F19 PolarHBondContact O-N 2.92Å; F19-R21 PolarHBondContact O-N 2.94Å; F19-I27 HydrophobicContact CB-CG2 3.92Å; F19-Q31 PolarHBondContact O-NE2 2.97Å; F19-D34 HydrophobicContact CD1-CB 4.46Å; F19-D34 HydrophobicContact CE1-CB 3.79Å; F19-D34 HydrophobicContact CZ-CB 4.46Å; F19-V35 HydrophobicContact CB-CG2 3.75Å; F19-V35 HydrophobicContact CD1-CG2 3.91Å; F19-V35 HydrophobicContact CD2-CB 4.49Å; F19-V35 HydrophobicContact CD2-CG2 3.72Å; F19-V35 HydrophobicContact CE1-CG2 4.42Å; F19-V35 HydrophobicContact CE2-CG2 4.25Å; F19-V35 HydrophobicContact CG-CG2 3.53Å; F19-A38 HydrophobicContact CE2-CB 3.74Å; F19-A38 HydrophobicContact CZ-CB 3.78Å
20D95.9Very high95.8Very high22 Ų2271.5 Ų71.512%0.11838%0.38CS..  trans-71.998.6173.6176.96.2000110.1F16 Q17 T22 G23 D24 G25 K26F16-D20 PolarHBondContact O-N 3.19Å; Q17-D20 PolarHBondContact O-N 3.23Å; D20-T22 PolarHBondContact O-N 3.27Å; D20-T22 WeakPolarHBondContact OD1-CA 3.25Å; D20-T22 PolarHBondContact OD1-N 2.94Å; D20-T22 PolarHBondContact OD1-OG1 2.78Å; D20-G23 VanDerWaalsContact CG-N 3.25Å; D20-G23 PolarHBondContact OD1-N 3.39Å; D20-G23 WeakPolarHBondContact OD2-CA 3.3Å; D20-G23 PolarHBondContact OD2-N 2.73Å; D20-D24 PolarHBondContact OD2-N 2.89Å; D20-G25 WeakPolarHBondContact OD2-CA 3.37Å; D20-G25 PolarHBondContact OD2-N 2.86Å; D20-K26 WeakPolarHBondContact CB-O 3.4Å; D20-K26 VanDerWaalsContact CG-O 3.25Å; D20-K26 VanDerWaalsContact OD1-O 3.14Å
21R92Very high95.9Very high215 Ų21569.9 Ų69.981%0.81136%0.363SS*.SBendtrans-75.1-12179.7-62.6-178.5-179.6174.91.6113.3F19F19-R21 PolarHBondContact O-N 2.94Å
22T91.3Very high96Very high106 Ų10664 Ų6465%0.6534%0.336SS*.SBendtrans-108.4-19.4-172.857.20000113.6D20 D24D20-T22 PolarHBondContact O-N 3.27Å; D20-T22 WeakPolarHBondContact OD1-CA 3.25Å; D20-T22 PolarHBondContact OD1-N 2.94Å; D20-T22 PolarHBondContact OD1-OG1 2.78Å; T22-D24 VanDerWaalsContact C-N 3.26Å; T22-D24 PolarHBondContact O-N 3.07Å; T22-D24 PolarHBondContact OG1-OD1 3.26Å
23G92.5Very high96Very high68 Ų6863.1 Ų63.170%0.70133%0.334SS*.SBendtrans72.415.4-176.200000113.8D20D20-G23 VanDerWaalsContact CG-N 3.25Å; D20-G23 PolarHBondContact OD1-N 3.39Å; D20-G23 WeakPolarHBondContact OD2-CA 3.3Å; D20-G23 PolarHBondContact OD2-N 2.73Å
24D95.5Very high96Very high82 Ų8262 Ų6244%0.43933%0.333SS..SBendtrans-93.95.5-179.888.5-27.7000113.4D20 T22 K26D20-D24 PolarHBondContact OD2-N 2.89Å; T22-D24 VanDerWaalsContact C-N 3.26Å; T22-D24 PolarHBondContact O-N 3.07Å; T22-D24 PolarHBondContact OG1-OD1 3.26Å; D24-K26 VanDerWaalsContact OD1-CB 3.28Å; D24-K26 WeakPolarHBondContact OD1-CB 3.35Å; D24-K26 WeakPolarHBondContact OD1-CG 3.47Å; D24-K26 PolarHBondContact OD1-N 3.44Å; D24-K26 VanDerWaalsContact OD1-N 3.16Å; D24-K26 IonicContact OD2-NZ 2.78Å; D24-K26 PolarHBondContact OD2-NZ 2.99Å
25G96Very high96.1Very high35 Ų3555.6 Ų55.636%0.36130%0.303SS..SBendtrans8221.6-179.600000113.8F16 D20F16-G25 WeakPolarHBondContact CE1-O 3.36Å; D20-G25 WeakPolarHBondContact OD2-CA 3.37Å; D20-G25 PolarHBondContact OD2-N 2.86Å
26K97.7Very high96.2Very high71 Ų7154.8 Ų54.831%0.30930%0.296SS..EExtended strand (participates in β ladder)trans-135.4158.2-176.6-49.6-177.3-162.3118.10113.2D20 D24 V64 L65 D66D20-K26 WeakPolarHBondContact CB-O 3.4Å; D20-K26 VanDerWaalsContact CG-O 3.25Å; D20-K26 VanDerWaalsContact OD1-O 3.14Å; D24-K26 VanDerWaalsContact OD1-CB 3.28Å; D24-K26 WeakPolarHBondContact OD1-CB 3.35Å; D24-K26 WeakPolarHBondContact OD1-CG 3.47Å; D24-K26 PolarHBondContact OD1-N 3.44Å; D24-K26 VanDerWaalsContact OD1-N 3.16Å; D24-K26 IonicContact OD2-NZ 2.78Å; D24-K26 PolarHBondContact OD2-NZ 2.99Å; K26-V64 HydrophobicContact CB-CB 4.07Å; K26-V64 HydrophobicContact CD-CB 4.05Å; K26-V64 HydrophobicContact CD-CG2 3.59Å; K26-L65 CarbonylContact C-O 3.59Å; K26-L65 VanDerWaalsContact CA-O 3.24Å; K26-L65 WeakPolarHBondContact CA-O 3.23Å; K26-L65 WeakPolarHBondContact CB-O 3.45Å; K26-D66 HydrophobicContact CG-CB 4.17Å
27I97.7Very high96.2Very high3 Ų359.1 Ų59.12%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-124.6158.317265.3176.2000110F16 F19 Q31 V35 V64 L65F16-I27 HydrophobicContact CD1-CG2 4.32Å; F16-I27 HydrophobicContact CD2-CD1 4Å; F16-I27 HydrophobicContact CD2-CG2 4.49Å; F16-I27 HydrophobicContact CE1-CG2 3.9Å; F16-I27 HydrophobicContact CE2-CB 4.44Å; F16-I27 HydrophobicContact CE2-CD1 3.43Å; F16-I27 VanDerWaalsContact CE2-CD1 3.43Å; F16-I27 HydrophobicContact CE2-CG1 3.61Å; F16-I27 HydrophobicContact CE2-CG2 4.1Å; F16-I27 HydrophobicContact CZ-CB 4.19Å; F16-I27 HydrophobicContact CZ-CD1 4.03Å; F16-I27 HydrophobicContact CZ-CG1 3.66Å; F16-I27 HydrophobicContact CZ-CG2 3.79Å; F19-I27 HydrophobicContact CB-CG2 3.92Å; I27-Q31 HydrophobicContact CB-CB 4.23Å; I27-Q31 HydrophobicContact CD1-CB 4.44Å; I27-V35 HydrophobicContact CD1-CB 4.33Å; I27-V35 HydrophobicContact CD1-CG2 3.57Å; I27-V64 CarbonylContact O-C 3.47Å; I27-V64 WeakPolarHBondContact O-CA 3.4Å; I27-L65 HydrophobicContact CG1-CB 4.25Å; I27-L65 PolarHBondContact N-O 3.33Å; I27-L65 PolarHBondContact O-N 3.39Å
28L97.3Very high96.2Very high51 Ų5157 Ų5727%0.26731%0.313SS..EExtended strand (participates in β ladder)trans-69152.6170.2-67.8168.9000110.8S30 Q31 K63 V64L28-S30 PolarHBondContact O-N 2.89Å; L28-Q31 HydrophobicContact CB-CG 4.16Å; L28-Q31 WeakPolarHBondContact O-CB 3.24Å; L28-Q31 PolarHBondContact O-N 2.91Å; L28-K63 WeakPolarHBondContact CA-O 3.39Å; L28-V64 HydrophobicContact CD2-CG1 4.01Å
29Y97.7Very high96.2Very high40 Ų4050.9 Ų50.916%0.15728%0.281CS..G310 helixtrans-55.6-36.1172.1-8628.4000112Q31 C32 L52 P55 K63 V64 L65Y29-Q31 PolarHBondContact O-N 3.46Å; Y29-C32 WeakPolarHBondContact O-CB 3.37Å; Y29-C32 PolarHBondContact O-N 3.35Å; Y29-C32 VanDerWaalsContact O-N 3.15Å; Y29-L52 HydrophobicContact CD1-CD2 4.19Å; Y29-L52 HydrophobicContact CD2-CB 4.31Å; Y29-L52 HydrophobicContact CD2-CD1 4.32Å; Y29-L52 HydrophobicContact CD2-CD2 3.92Å; Y29-L52 HydrophobicContact CD2-CG 4.43Å; Y29-L52 HydrophobicContact CE1-CD2 4.39Å; Y29-L52 HydrophobicContact CE2-CB 4.42Å; Y29-L52 HydrophobicContact CE2-CD2 4.14Å; Y29-L52 HydrophobicContact CG-CD1 4.43Å; Y29-L52 HydrophobicContact CG-CD2 3.94Å; Y29-P55 HydrophobicContact CD2-CB 4.13Å; Y29-P55 HydrophobicContact CD2-CG 4.13Å; Y29-P55 HydrophobicContact CE2-CB 4.42Å; Y29-K63 HydrophobicContact CD1-CB 3.74Å; Y29-K63 WeakPolarHBondContact CD1-O 3.3Å; Y29-K63 HydrophobicContact CD2-CB 3.86Å; Y29-K63 HydrophobicContact CD2-CD 4.22Å; Y29-K63 HydrophobicContact CE1-CB 3.82Å; Y29-K63 HydrophobicContact CE2-CB 3.94Å; Y29-K63 HydrophobicContact CE2-CD 3.74Å; Y29-K63 HydrophobicContact CG-CB 3.77Å; Y29-K63 PolarHBondContact N-O 3.21Å; Y29-V64 WeakPolarHBondContact CE1-O 3.44Å; Y29-L65 HydrophobicContact CD1-CB 4.07Å; Y29-L65 HydrophobicContact CE1-CB 3.95Å; Y29-L65 HydrophobicContact CE1-CD1 4.29Å
30S96.4Very high96.1Very high41 Ų4151 Ų5129%0.28730%0.297SS..G310 helixtrans-62.2-24174.952.90000114.4L28 M60 N61L28-S30 PolarHBondContact O-N 2.89Å; S30-M60 WeakPolarHBondContact CB-O 3.41Å; S30-M60 PolarHBondContact N-O 3.07Å; S30-M60 PolarHBondContact OG-O 3.38Å; S30-N61 VanDerWaalsContact CB-OD1 3.3Å; S30-N61 WeakPolarHBondContact CB-OD1 3.47Å; S30-N61 PolarHBondContact OG-OD1 2.78Å
31Q96.9Very high96.1Very high14 Ų1452.2 Ų52.27%0.06530%0.302CS..G310 helixtrans-87.2-12.5178.2-61.3175.2-82.600112.7F19 I27 L28 Y29 G33 D34 V35F19-Q31 PolarHBondContact O-NE2 2.97Å; I27-Q31 HydrophobicContact CB-CB 4.23Å; I27-Q31 HydrophobicContact CD1-CB 4.44Å; L28-Q31 HydrophobicContact CB-CG 4.16Å; L28-Q31 WeakPolarHBondContact O-CB 3.24Å; L28-Q31 PolarHBondContact O-N 2.91Å; Y29-Q31 PolarHBondContact O-N 3.46Å; Q31-G33 VanDerWaalsContact C-N 3.32Å; Q31-G33 PolarHBondContact O-N 3.1Å; Q31-D34 PolarHBondContact O-N 2.99Å; Q31-D34 VanDerWaalsContact O-N 3.07Å; Q31-V35 WeakPolarHBondContact O-CG2 3.46Å; Q31-V35 PolarHBondContact O-N 3.26Å
32C97.6Very high96.3Very high0 Ų047.2 Ų47.20%029%0.292CS..Hα-helixtrans-56.3-44.2-173.1-173.20000112.6Y29 V35 M36 V48 L52Y29-C32 WeakPolarHBondContact O-CB 3.37Å; Y29-C32 PolarHBondContact O-N 3.35Å; Y29-C32 VanDerWaalsContact O-N 3.15Å; C32-V35 PolarHBondContact O-N 3.42Å; C32-M36 WeakPolarHBondContact O-CG 3.24Å; C32-M36 PolarHBondContact O-N 3.43Å; C32-M36 WeakPolarHBondContact SG-CE 3.36Å; C32-V48 HydrophobicContact CB-CG1 4.37Å; C32-L52 HydrophobicContact CB-CD1 4.14Å; C32-L52 HydrophobicContact CB-CD2 4.13Å; C32-L52 HydrophobicContact CB-CG 4.48Å
33G97.4Very high96.6Very high5 Ų542.3 Ų42.35%0.05226%0.262CS..Hα-helixtrans-63.9-39.6177.200000112.9Q31 M36 R37Q31-G33 VanDerWaalsContact C-N 3.32Å; Q31-G33 PolarHBondContact O-N 3.1Å; G33-M36 PolarHBondContact O-N 3.22Å; G33-R37 WeakPolarHBondContact O-CG 3.4Å; G33-R37 PolarHBondContact O-N 3.04Å
34D97.1Very high96.8Very high81 Ų8142 Ų4243%0.43325%0.247SC..Hα-helixtrans-66.5-40.5178.9-58.7-23.3000111.5F19 Q31 R37 A38F19-D34 HydrophobicContact CD1-CB 4.46Å; F19-D34 HydrophobicContact CE1-CB 3.79Å; F19-D34 HydrophobicContact CZ-CB 4.46Å; Q31-D34 PolarHBondContact O-N 2.99Å; Q31-D34 VanDerWaalsContact O-N 3.07Å; D34-R37 PolarHBondContact O-N 3.33Å; D34-R37 IonicContact OD1-NH1 3.67Å; D34-A38 WeakPolarHBondContact O-CB 3.42Å; D34-A38 PolarHBondContact O-N 3Å
35V97.7Very high96.8Very high0 Ų041.7 Ų41.70%025%0.245CC..Hα-helixtrans-65.4-41.2175.5-173.20000111F16 F19 I27 Q31 C32 R37 A38 L39 F70F16-V35 HydrophobicContact CD2-CG1 4.34Å; F19-V35 HydrophobicContact CB-CG2 3.75Å; F19-V35 HydrophobicContact CD1-CG2 3.91Å; F19-V35 HydrophobicContact CD2-CB 4.49Å; F19-V35 HydrophobicContact CD2-CG2 3.72Å; F19-V35 HydrophobicContact CE1-CG2 4.42Å; F19-V35 HydrophobicContact CE2-CG2 4.25Å; F19-V35 HydrophobicContact CG-CG2 3.53Å; I27-V35 HydrophobicContact CD1-CB 4.33Å; I27-V35 HydrophobicContact CD1-CG2 3.57Å; Q31-V35 WeakPolarHBondContact O-CG2 3.46Å; Q31-V35 PolarHBondContact O-N 3.26Å; C32-V35 PolarHBondContact O-N 3.42Å; V35-R37 VanDerWaalsContact C-N 3.32Å; V35-R37 PolarHBondContact O-N 2.9Å; V35-A38 PolarHBondContact O-N 3.28Å; V35-L39 HydrophobicContact CG1-CD1 4.16Å; V35-L39 WeakPolarHBondContact O-CB 3.5Å; V35-L39 VanDerWaalsContact O-CG 3.31Å; V35-L39 WeakPolarHBondContact O-CG 3.36Å; V35-L39 PolarHBondContact O-N 3.04Å; V35-F70 HydrophobicContact CB-CE2 4.11Å; V35-F70 HydrophobicContact CB-CZ 3.94Å; V35-F70 HydrophobicContact CG1-CE1 3.97Å; V35-F70 HydrophobicContact CG1-CE2 4.13Å; V35-F70 HydrophobicContact CG1-CZ 3.53Å
36M97.6Very high96.9Very high0 Ų042.6 Ų42.60%025%0.249CC..Hα-helixtrans-61-42175.4-71.2173.4179.300111.8C32 G33 L39 G40 Q41 P43 V48 V51 F70 M73 L74 V77C32-M36 WeakPolarHBondContact O-CG 3.24Å; C32-M36 PolarHBondContact O-N 3.43Å; C32-M36 WeakPolarHBondContact SG-CE 3.36Å; G33-M36 PolarHBondContact O-N 3.22Å; M36-L39 CarbonylContact O-C 3.56Å; M36-L39 PolarHBondContact O-N 3.07Å; M36-G40 PolarHBondContact O-N 3.06Å; M36-Q41 HydrophobicContact CB-CB 4.37Å; M36-Q41 WeakPolarHBondContact O-CB 3.3Å; M36-Q41 PolarHBondContact O-N 3.32Å; M36-P43 HydrophobicContact CB-CG 4.05Å; M36-P43 HydrophobicContact SD-CG 4.22Å; M36-V48 HydrophobicContact SD-CG2 4.4Å; M36-V51 HydrophobicContact CE-CG2 3.95Å; M36-F70 HydrophobicContact CE-CD2 4.44Å; M36-F70 HydrophobicContact CE-CE2 3.94Å; M36-F70 HydrophobicContact CG-CE2 3.86Å; M36-F70 HydrophobicContact CG-CZ 3.98Å; M36-M73 HydrophobicContact CE-CB 3.71Å; M36-L74 HydrophobicContact CG-CD1 4.21Å; M36-V77 HydrophobicContact CE-CG2 4.22Å; M36-V77 HydrophobicContact SD-CB 4.49Å; M36-V77 HydrophobicContact SD-CG2 3.83Å
37R96.8Very high96.8Very high94 Ų9441.2 Ų41.236%0.35524%0.243SC..Hα-helixtrans-66.4-41176.2-69.6175.1-170.3117.41.4112.8G33 D34 V35 L39 G40 Q41 P43 N45G33-R37 WeakPolarHBondContact O-CG 3.4Å; G33-R37 PolarHBondContact O-N 3.04Å; D34-R37 PolarHBondContact O-N 3.33Å; D34-R37 IonicContact OD1-NH1 3.67Å; V35-R37 VanDerWaalsContact C-N 3.32Å; V35-R37 PolarHBondContact O-N 2.9Å; R37-L39 PolarHBondContact O-N 3.15Å; R37-G40 PolarHBondContact O-N 3.42Å; R37-Q41 VanDerWaalsContact CA-O 3.23Å; R37-Q41 WeakPolarHBondContact CA-O 3.49Å; R37-Q41 WeakPolarHBondContact CG-O 3.3Å; R37-P43 PolarHBondContact NH2-O 2.99Å; R37-N45 PolarHBondContact NH2-OD1 3.35Å; R37-N45 VanDerWaalsContact NH2-OD1 3.11Å
38A96.3Very high96.8Very high62 Ų6241.5 Ų41.551%0.51225%0.245SC..Hα-helixtrans-62.7-24.317300000113.1F19 D34 V35 G40F19-A38 HydrophobicContact CE2-CB 3.74Å; F19-A38 HydrophobicContact CZ-CB 3.78Å; D34-A38 WeakPolarHBondContact O-CB 3.42Å; D34-A38 PolarHBondContact O-N 3Å; V35-A38 PolarHBondContact O-N 3.28Å; A38-G40 VanDerWaalsContact C-N 3.31Å
39L95.9Very high96.8Very high23 Ų2342.1 Ų42.112%0.1225%0.249CC..THydrogen-bonded Turntrans-92.518.8174.6-67.5178.3000113.4F12 A15 V35 M36 R37 Q41 F70 L74F12-L39 HydrophobicContact CB-CD1 4.15Å; F12-L39 HydrophobicContact CD1-CD1 3.93Å; F12-L39 HydrophobicContact CD1-CD2 3.56Å; F12-L39 HydrophobicContact CD1-CG 4.26Å; F12-L39 HydrophobicContact CE1-CD2 4.17Å; F12-L39 HydrophobicContact CG-CD1 4.13Å; F12-L39 HydrophobicContact CG-CD2 4.43Å; A15-L39 HydrophobicContact CB-CD2 3.45Å; A15-L39 VanDerWaalsContact CB-CD2 3.45Å; A15-L39 HydrophobicContact CB-CG 4.19Å; V35-L39 HydrophobicContact CG1-CD1 4.16Å; V35-L39 WeakPolarHBondContact O-CB 3.5Å; V35-L39 VanDerWaalsContact O-CG 3.31Å; V35-L39 WeakPolarHBondContact O-CG 3.36Å; V35-L39 PolarHBondContact O-N 3.04Å; M36-L39 CarbonylContact O-C 3.56Å; M36-L39 PolarHBondContact O-N 3.07Å; R37-L39 PolarHBondContact O-N 3.15Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 2.86Å; L39-Q41 PolarHBondContact O-NE2 3.33Å; L39-F70 HydrophobicContact CD1-CE1 3.84Å; L39-F70 HydrophobicContact CD1-CZ 4.1Å; L39-L74 HydrophobicContact CB-CD1 4.35Å; L39-L74 HydrophobicContact CD1-CD1 4.25Å; L39-L74 HydrophobicContact CD1-CD2 3.66Å
40G94.1Very high96.8Very high57 Ų5747.5 Ų47.559%0.58827%0.273SS*.THydrogen-bonded Turntrans75.817.2173.300000114.9M36 R37 A38M36-G40 PolarHBondContact O-N 3.06Å; R37-G40 PolarHBondContact O-N 3.42Å; A38-G40 VanDerWaalsContact C-N 3.31Å
41Q95.9Very high96.9Very high48 Ų4847.1 Ų47.122%0.22427%0.268CS..  trans-98.1147.9174-51.2-51.8-59.500110.7M36 R37 L39 P43 L74 V77 A78M36-Q41 HydrophobicContact CB-CB 4.37Å; M36-Q41 WeakPolarHBondContact O-CB 3.3Å; M36-Q41 PolarHBondContact O-N 3.32Å; R37-Q41 VanDerWaalsContact CA-O 3.23Å; R37-Q41 WeakPolarHBondContact CA-O 3.49Å; R37-Q41 WeakPolarHBondContact CG-O 3.3Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 2.86Å; L39-Q41 PolarHBondContact O-NE2 3.33Å; Q41-P43 WeakPolarHBondContact O-CD 3.48Å; Q41-L74 HydrophobicContact CG-CD1 3.7Å; Q41-V77 HydrophobicContact CB-CG1 3.82Å; Q41-V77 HydrophobicContact CG-CG1 4.23Å; Q41-A78 VanDerWaalsContact OE1-CA 3.25Å
42N96.2Very high96.9Very high110 Ų11047 Ų4759%0.58827%0.269SS*.  trans-117.151.8180-66.4-47.8000113.2Q83N42-Q83 PolarHBondContact O-OE1 2.97Å; N42-Q83 VanDerWaalsContact O-OE1 3.1Å
43P97.5Very high96.9Very high4 Ų449.9 Ų49.93%0.02630%0.298CS..  trans-66.6144.5-178.931.1-35.4000111.7M36 R37 Q41 E47 V48 V77M36-P43 HydrophobicContact CB-CG 4.05Å; M36-P43 HydrophobicContact SD-CG 4.22Å; R37-P43 PolarHBondContact NH2-O 2.99Å; Q41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-E47 WeakPolarHBondContact CA-OE2 3.32Å; P43-E47 HydrophobicContact CB-CB 4.18Å; P43-V48 HydrophobicContact CB-CG2 3.91Å; P43-V48 HydrophobicContact CG-CG2 3.76Å; P43-V77 HydrophobicContact CB-CG1 3.81Å; P43-V77 HydrophobicContact CB-CG2 4.35Å; P43-V77 HydrophobicContact CG-CG1 4.08Å
44T97.3Very high96.9Very high62 Ų6255.1 Ų55.138%0.3833%0.325SS..  trans-65.2156163.360.30000110.5A46 E47 V48T44-A46 PolarHBondContact O-N 3.18Å; T44-E47 WeakPolarHBondContact CB-OE2 3.41Å; T44-E47 PolarHBondContact N-OE2 2.94Å; T44-E47 PolarHBondContact O-N 2.9Å; T44-E47 VanDerWaalsContact O-N 3.09Å; T44-E47 WeakPolarHBondContact OG1-CB 3.48Å; T44-E47 VanDerWaalsContact OG1-CD 3.31Å; T44-E47 WeakPolarHBondContact OG1-CG 3.21Å; T44-E47 PolarHBondContact OG1-N 3.41Å; T44-E47 VanDerWaalsContact OG1-N 3.16Å; T44-E47 PolarHBondContact OG1-OE2 2.96Å; T44-V48 WeakPolarHBondContact O-CG2 3.14Å; T44-V48 PolarHBondContact O-N 2.81Å
45N96.4Very high96.8Very high74 Ų7452.1 Ų52.140%0.39631%0.31SS..Hα-helixtrans-60.4-35.5175.2-63.9-35000111R37 V48 L49 E118R37-N45 PolarHBondContact NH2-OD1 3.35Å; R37-N45 VanDerWaalsContact NH2-OD1 3.11Å; N45-V48 PolarHBondContact O-N 3.05Å; N45-L49 VanDerWaalsContact O-CG 3.3Å; N45-L49 WeakPolarHBondContact O-CG 3.35Å; N45-L49 PolarHBondContact O-N 3.23Å; N45-E118 WeakPolarHBondContact CB-OE2 3.41Å; N45-E118 PolarHBondContact N-OE1 2.91Å; N45-E118 PolarHBondContact N-OE2 3.43Å; N45-E118 PolarHBondContact ND2-OE2 3.18Å
46A96.6Very high96.7Very high54 Ų5458.8 Ų58.845%0.44634%0.339SS..Hα-helixtrans-61.4-40.9172.900000113.1T44 L49 K50 E118T44-A46 PolarHBondContact O-N 3.18Å; A46-L49 PolarHBondContact O-N 3.35Å; A46-K50 WeakPolarHBondContact O-CB 3.35Å; A46-K50 PolarHBondContact O-N 3.42Å; A46-E118 WeakPolarHBondContact CB-OE1 3.44Å; A46-E118 PolarHBondContact N-OE1 2.99Å
47E97.2Very high96.5Very high42 Ų4263.8 Ų63.820%0.19637%0.374CS..Hα-helixtrans-66.7-42.4175.8-75.4166.3128.900112.1P43 T44 K50 V51 N80P43-E47 WeakPolarHBondContact CA-OE2 3.32Å; P43-E47 HydrophobicContact CB-CB 4.18Å; T44-E47 WeakPolarHBondContact CB-OE2 3.41Å; T44-E47 PolarHBondContact N-OE2 2.94Å; T44-E47 PolarHBondContact O-N 2.9Å; T44-E47 VanDerWaalsContact O-N 3.09Å; T44-E47 WeakPolarHBondContact OG1-CB 3.48Å; T44-E47 VanDerWaalsContact OG1-CD 3.31Å; T44-E47 WeakPolarHBondContact OG1-CG 3.21Å; T44-E47 PolarHBondContact OG1-N 3.41Å; T44-E47 VanDerWaalsContact OG1-N 3.16Å; T44-E47 PolarHBondContact OG1-OE2 2.96Å; E47-K50 WeakPolarHBondContact O-CB 3.31Å; E47-K50 PolarHBondContact O-N 3.29Å; E47-V51 PolarHBondContact O-N 3.26Å; E47-N80 PolarHBondContact OE1-ND2 2.91Å
48V97.9Very high96.3Very high10 Ų1064.5 Ų64.56%0.06139%0.385CS..Hα-helixtrans-59.1-48.3175177.40000110.4C32 M36 P43 T44 N45 K50 V51 L52C32-V48 HydrophobicContact CB-CG1 4.37Å; M36-V48 HydrophobicContact SD-CG2 4.4Å; P43-V48 HydrophobicContact CB-CG2 3.91Å; P43-V48 HydrophobicContact CG-CG2 3.76Å; T44-V48 WeakPolarHBondContact O-CG2 3.14Å; T44-V48 PolarHBondContact O-N 2.81Å; N45-V48 PolarHBondContact O-N 3.05Å; V48-K50 VanDerWaalsContact C-N 3.29Å; V48-K50 PolarHBondContact O-N 2.88Å; V48-V51 VanDerWaalsContact O-CG2 3.23Å; V48-V51 WeakPolarHBondContact O-CG2 3.45Å; V48-V51 PolarHBondContact O-N 3.14Å; V48-L52 HydrophobicContact CG1-CD1 3.92Å; V48-L52 WeakPolarHBondContact O-CB 3.48Å; V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.38Å; V48-L52 PolarHBondContact O-N 3.43Å; V48-L52 VanDerWaalsContact O-N 3.09Å
49L97.5Very high96.3Very high64 Ų6464 Ų6434%0.33537%0.371SS..Hα-helixtrans-59.8-41176.5-71.9173.2000111.7N45 A46 L52 G53 N54 P55 M60N45-L49 VanDerWaalsContact O-CG 3.3Å; N45-L49 WeakPolarHBondContact O-CG 3.35Å; N45-L49 PolarHBondContact O-N 3.23Å; A46-L49 PolarHBondContact O-N 3.35Å; L49-L52 CarbonylContact O-C 3.59Å; L49-L52 PolarHBondContact O-N 3.04Å; L49-G53 PolarHBondContact O-N 2.77Å; L49-N54 WeakPolarHBondContact O-CA 3.06Å; L49-N54 PolarHBondContact O-N 3.42Å; L49-P55 HydrophobicContact CD2-CG 4.22Å; L49-M60 HydrophobicContact CD2-CE 4.15Å; L49-M60 HydrophobicContact CD2-SD 4.03Å
50K97.5Very high96.3Very high153 Ų15364.5 Ų64.567%0.66537%0.374SS*.Hα-helixtrans-63.2-46.1179.5-177-179.4177.3-176.20112.2A46 E47 V48 L52 G53A46-K50 WeakPolarHBondContact O-CB 3.35Å; A46-K50 PolarHBondContact O-N 3.42Å; E47-K50 WeakPolarHBondContact O-CB 3.31Å; E47-K50 PolarHBondContact O-N 3.29Å; V48-K50 VanDerWaalsContact C-N 3.29Å; V48-K50 PolarHBondContact O-N 2.88Å; K50-L52 VanDerWaalsContact C-N 3.27Å; K50-L52 PolarHBondContact O-N 3.24Å; K50-G53 PolarHBondContact O-N 2.79Å
51V97.3Very high96.4Very high32 Ų3267 Ų6719%0.19437%0.374CS..Hα-helixtrans-70-25.9179.1-61.60000112.6M36 E47 V48 G53 M73 T76 V77M36-V51 HydrophobicContact CE-CG2 3.95Å; E47-V51 PolarHBondContact O-N 3.26Å; V48-V51 VanDerWaalsContact O-CG2 3.23Å; V48-V51 WeakPolarHBondContact O-CG2 3.45Å; V48-V51 PolarHBondContact O-N 3.14Å; V51-G53 PolarHBondContact O-N 3.23Å; V51-M73 HydrophobicContact CB-CB 4.07Å; V51-M73 HydrophobicContact CB-CG 4.2Å; V51-M73 HydrophobicContact CG2-CB 4.09Å; V51-M73 HydrophobicContact CG2-CG 4.47Å; V51-T76 HydrophobicContact CG1-CG2 4.06Å; V51-V77 HydrophobicContact CG1-CG2 4.19Å
52L97.7Very high96.3Very high13 Ų1370 Ų707%0.06840%0.395CS..THydrogen-bonded Turntrans-77.2-2.2170-68.5172.2000113.7Y29 C32 V48 L49 K50 P55 M60 L65 M73Y29-L52 HydrophobicContact CD1-CD2 4.19Å; Y29-L52 HydrophobicContact CD2-CB 4.31Å; Y29-L52 HydrophobicContact CD2-CD1 4.32Å; Y29-L52 HydrophobicContact CD2-CD2 3.92Å; Y29-L52 HydrophobicContact CD2-CG 4.43Å; Y29-L52 HydrophobicContact CE1-CD2 4.39Å; Y29-L52 HydrophobicContact CE2-CB 4.42Å; Y29-L52 HydrophobicContact CE2-CD2 4.14Å; Y29-L52 HydrophobicContact CG-CD1 4.43Å; Y29-L52 HydrophobicContact CG-CD2 3.94Å; C32-L52 HydrophobicContact CB-CD1 4.14Å; C32-L52 HydrophobicContact CB-CD2 4.13Å; C32-L52 HydrophobicContact CB-CG 4.48Å; V48-L52 HydrophobicContact CG1-CD1 3.92Å; V48-L52 WeakPolarHBondContact O-CB 3.48Å; V48-L52 VanDerWaalsContact O-CG 3.3Å; V48-L52 WeakPolarHBondContact O-CG 3.38Å; V48-L52 PolarHBondContact O-N 3.43Å; V48-L52 VanDerWaalsContact O-N 3.09Å; L49-L52 CarbonylContact O-C 3.59Å; L49-L52 PolarHBondContact O-N 3.04Å; K50-L52 VanDerWaalsContact C-N 3.27Å; K50-L52 PolarHBondContact O-N 3.24Å; L52-P55 HydrophobicContact CB-CG 4.02Å; L52-M60 HydrophobicContact CD1-CE 4.17Å; L52-M60 HydrophobicContact CD1-SD 4.26Å; L52-L65 HydrophobicContact CD2-CD2 4.38Å; L52-M73 HydrophobicContact CD2-CE 4.33Å; L52-M73 HydrophobicContact CD2-SD 3.91Å
53G96.9Very high96.3Very high60 Ų6068.5 Ų68.562%0.61938%0.383SS*.THydrogen-bonded Turntrans81.628.1179.700000114.7L49 K50 V51L49-G53 PolarHBondContact O-N 2.77Å; K50-G53 PolarHBondContact O-N 2.79Å; V51-G53 PolarHBondContact O-N 3.23Å
54N97Very high96.3Very high115 Ų11571.9 Ų71.962%0.61540%0.403SS*.SBendtrans51.460-177-61.8-53.2000112.9L49L49-N54 WeakPolarHBondContact O-CA 3.06Å; L49-N54 PolarHBondContact O-N 3.42Å
55P96.6Very high96.3Very high18 Ų1869.1 Ų69.112%0.11739%0.387CS..  trans-61.7156.6177.530.2-37000111Y29 L49 L52 E59 M60Y29-P55 HydrophobicContact CD2-CB 4.13Å; Y29-P55 HydrophobicContact CD2-CG 4.13Å; Y29-P55 HydrophobicContact CE2-CB 4.42Å; L49-P55 HydrophobicContact CD2-CG 4.22Å; L52-P55 HydrophobicContact CB-CG 4.02Å; P55-E59 VanDerWaalsContact CA-OE2 3.3Å; P55-E59 WeakPolarHBondContact CA-OE2 3.38Å; P55-E59 HydrophobicContact CB-CB 4.12Å; P55-E59 WeakPolarHBondContact CB-OE2 3.46Å; P55-M60 HydrophobicContact CB-SD 4.35Å; P55-M60 HydrophobicContact CG-SD 3.49Å; P55-M60 WeakPolarHBondContact CG-SD 3.4Å
56K95.6Very high96.3Very high140 Ų14067.9 Ų67.961%0.60938%0.38SS*.  trans-71.4158.7170.4-62.7179.5-177175.90110.4D58 E59K56-D58 VanDerWaalsContact C-N 3.26Å; K56-D58 WeakPolarHBondContact CB-OD1 3.46Å; K56-D58 PolarHBondContact O-N 2.95Å; K56-E59 HydrophobicContact CB-CG 4.1Å; K56-E59 PolarHBondContact N-OE2 3.38Å; K56-E59 WeakPolarHBondContact O-CB 3.3Å; K56-E59 PolarHBondContact O-N 3.36Å
57S92.1Very high96.4Very high105 Ų10566.5 Ų66.573%0.73436%0.364SS*.THydrogen-bonded Turntrans-60-33.9-178.752.50000113.6E59S57-E59 VanDerWaalsContact C-N 3.27Å; S57-E59 PolarHBondContact O-N 2.95Å
58D93.9Very high96.3Very high109 Ų10972 Ų7258%0.58339%0.39SS*.THydrogen-bonded Turntrans-72.9-18.4176.461.3-33.8000113.3K56 V62K56-D58 VanDerWaalsContact C-N 3.26Å; K56-D58 WeakPolarHBondContact CB-OD1 3.46Å; K56-D58 PolarHBondContact O-N 2.95Å; D58-V62 WeakPolarHBondContact O-CG2 3.13Å
59E95.9Very high96.2Very high50 Ų5077 Ų7723%0.23441%0.412CS..THydrogen-bonded Turntrans-82.6-24.3178.2-62-179.9143.400112.6P55 K56 S57 N61 V62 K63P55-E59 VanDerWaalsContact CA-OE2 3.3Å; P55-E59 WeakPolarHBondContact CA-OE2 3.38Å; P55-E59 HydrophobicContact CB-CB 4.12Å; P55-E59 WeakPolarHBondContact CB-OE2 3.46Å; K56-E59 HydrophobicContact CB-CG 4.1Å; K56-E59 PolarHBondContact N-OE2 3.38Å; K56-E59 WeakPolarHBondContact O-CB 3.3Å; K56-E59 PolarHBondContact O-N 3.36Å; S57-E59 VanDerWaalsContact C-N 3.27Å; S57-E59 PolarHBondContact O-N 2.95Å; E59-N61 VanDerWaalsContact C-N 3.25Å; E59-N61 PolarHBondContact O-N 3.49Å; E59-V62 PolarHBondContact O-N 3.04Å; E59-V62 VanDerWaalsContact O-N 3.11Å; E59-K63 HydrophobicContact CB-CD 3.99Å; E59-K63 HydrophobicContact CB-CG 4.14Å; E59-K63 VanDerWaalsContact CD-CE 3.4Å; E59-K63 HydrophobicContact CG-CD 4.4Å; E59-K63 WeakPolarHBondContact O-CB 3.39Å; E59-K63 PolarHBondContact O-N 3.19Å; E59-K63 VanDerWaalsContact OE1-CE 3.25Å; E59-K63 WeakPolarHBondContact OE1-CE 3.32Å; E59-K63 IonicContact OE1-NZ 2.72Å; E59-K63 PolarHBondContact OE1-NZ 3.41Å; E59-K63 IonicContact OE2-NZ 2.87Å; E59-K63 PolarHBondContact OE2-NZ 3.44Å
60M96.2Very high96.2Very high35 Ų3573.9 Ų73.917%0.17240%0.396CS..THydrogen-bonded Turntrans-59.2-34.3-174.1-70.1-62.1-75.700113.3S30 L49 L52 P55S30-M60 WeakPolarHBondContact CB-O 3.41Å; S30-M60 PolarHBondContact N-O 3.07Å; S30-M60 PolarHBondContact OG-O 3.38Å; L49-M60 HydrophobicContact CD2-CE 4.15Å; L49-M60 HydrophobicContact CD2-SD 4.03Å; L52-M60 HydrophobicContact CD1-CE 4.17Å; L52-M60 HydrophobicContact CD1-SD 4.26Å; P55-M60 HydrophobicContact CB-SD 4.35Å; P55-M60 HydrophobicContact CG-SD 3.49Å; P55-M60 WeakPolarHBondContact CG-SD 3.4Å
61N94.8Very high96.2Very high109 Ų10967.6 Ų67.658%0.58337%0.369SS*.THydrogen-bonded Turntrans-103.611.9-178.4-64-46.1000113.5S30 E59S30-N61 VanDerWaalsContact CB-OD1 3.3Å; S30-N61 WeakPolarHBondContact CB-OD1 3.47Å; S30-N61 PolarHBondContact OG-OD1 2.78Å; E59-N61 VanDerWaalsContact C-N 3.25Å; E59-N61 PolarHBondContact O-N 3.49Å
62V94.7Very high96.1Very high112 Ų11268.9 Ų68.968%0.67938%0.378SS*.THydrogen-bonded Turntrans-127.2-44.7-177179.60000111.2D58 E59D58-V62 WeakPolarHBondContact O-CG2 3.13Å; E59-V62 PolarHBondContact O-N 3.04Å; E59-V62 VanDerWaalsContact O-N 3.11Å
63K96.7Very high96.1Very high78 Ų7869.7 Ų69.734%0.33938%0.382SS..  trans-72140.1177.5-73.3-172-178.4164.30110.2L28 Y29 E59L28-K63 WeakPolarHBondContact CA-O 3.39Å; Y29-K63 HydrophobicContact CD1-CB 3.74Å; Y29-K63 WeakPolarHBondContact CD1-O 3.3Å; Y29-K63 HydrophobicContact CD2-CB 3.86Å; Y29-K63 HydrophobicContact CD2-CD 4.22Å; Y29-K63 HydrophobicContact CE1-CB 3.82Å; Y29-K63 HydrophobicContact CE2-CB 3.94Å; Y29-K63 HydrophobicContact CE2-CD 3.74Å; Y29-K63 HydrophobicContact CG-CB 3.77Å; Y29-K63 PolarHBondContact N-O 3.21Å; E59-K63 HydrophobicContact CB-CD 3.99Å; E59-K63 HydrophobicContact CB-CG 4.14Å; E59-K63 VanDerWaalsContact CD-CE 3.4Å; E59-K63 HydrophobicContact CG-CD 4.4Å; E59-K63 WeakPolarHBondContact O-CB 3.39Å; E59-K63 PolarHBondContact O-N 3.19Å; E59-K63 VanDerWaalsContact OE1-CE 3.25Å; E59-K63 WeakPolarHBondContact OE1-CE 3.32Å; E59-K63 IonicContact OE1-NZ 2.72Å; E59-K63 PolarHBondContact OE1-NZ 3.41Å; E59-K63 IonicContact OE2-NZ 2.87Å; E59-K63 PolarHBondContact OE2-NZ 3.44Å
64V97Very high96.1Very high74 Ų7466.9 Ų66.945%0.44835%0.353SS..EExtended strand (participates in β ladder)trans-113.8150.2178-65.90000110.3K26 I27 L28 Y29K26-V64 HydrophobicContact CB-CB 4.07Å; K26-V64 HydrophobicContact CD-CB 4.05Å; K26-V64 HydrophobicContact CD-CG2 3.59Å; I27-V64 CarbonylContact O-C 3.47Å; I27-V64 WeakPolarHBondContact O-CA 3.4Å; L28-V64 HydrophobicContact CD2-CG1 4.01Å; Y29-V64 WeakPolarHBondContact CE1-O 3.44Å
65L96.8Very high96.1Very high5 Ų562.4 Ų62.43%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-121.8130.4179.4-17366.9000107.4F16 K26 I27 Y29 L52 H69 F70 M73F16-L65 WeakPolarHBondContact CZ-O 3.48Å; K26-L65 CarbonylContact C-O 3.59Å; K26-L65 VanDerWaalsContact CA-O 3.24Å; K26-L65 WeakPolarHBondContact CA-O 3.23Å; K26-L65 WeakPolarHBondContact CB-O 3.45Å; I27-L65 HydrophobicContact CG1-CB 4.25Å; I27-L65 PolarHBondContact N-O 3.33Å; I27-L65 PolarHBondContact O-N 3.39Å; Y29-L65 HydrophobicContact CD1-CB 4.07Å; Y29-L65 HydrophobicContact CE1-CB 3.95Å; Y29-L65 HydrophobicContact CE1-CD1 4.29Å; L52-L65 HydrophobicContact CD2-CD2 4.38Å; L65-H69 HydrophobicContact CD1-CB 3.44Å; L65-H69 VanDerWaalsContact CD1-CB 3.44Å; L65-H69 HydrophobicContact CG-CB 4.38Å; L65-F70 HydrophobicContact CD2-CB 3.79Å; L65-F70 HydrophobicContact CD2-CD2 3.82Å; L65-F70 HydrophobicContact CD2-CG 4.31Å; L65-F70 HydrophobicContact CG-CB 4.13Å; L65-M73 HydrophobicContact CD1-CE 3.68Å; L65-M73 HydrophobicContact CD1-SD 4.12Å; L65-M73 HydrophobicContact CD2-CE 4.44Å; L65-M73 HydrophobicContact CD2-SD 3.8Å
66D97.5Very high96Very high48 Ų4865.8 Ų65.826%0.25735%0.349SS..EExtended strand (participates in β ladder)trans-90169.6168.865.842.3000110.8K26 E68 H69 F70K26-D66 HydrophobicContact CG-CB 4.17Å; D66-E68 VanDerWaalsContact C-N 3.33Å; D66-E68 PolarHBondContact O-N 3.32Å; D66-E68 PolarHBondContact OD1-N 3.02Å; D66-E68 VanDerWaalsContact OD1-N 3.07Å; D66-H69 PolarHBondContact O-N 3.09Å; D66-H69 IonicContact OD1-CE1 3.81Å; D66-H69 IonicContact OD1-CG 3.47Å; D66-H69 PolarHBondContact OD1-N 3.3Å; D66-H69 IonicContact OD1-ND1 2.73Å; D66-H69 PolarHBondContact OD1-ND1 3.48Å; D66-H69 IonicContact OD2-CE1 3.39Å; D66-H69 PolarHBondContact OD2-CE1 3.11Å; D66-H69 IonicContact OD2-ND1 2.89Å; D66-H69 PolarHBondContact OD2-ND1 3.11Å; D66-F70 WeakPolarHBondContact O-CB 3.14Å; D66-F70 PolarHBondContact O-N 3.12Å
67F97Very high96.1Very high24 Ų2459.5 Ų59.511%0.10532%0.322CS..Hα-helixtrans-63.5-35.2-177.1-175.4-111.5000113.7T9 F12 K13 F16 H69 F70 L71T9-F67 HydrophobicContact CG2-CE1 3.92Å; T9-F67 HydrophobicContact CG2-CZ 4.15Å; T9-F67 WeakPolarHBondContact O-CZ 3.21Å; F12-F67 HydrophobicContact CB-CE2 3.95Å; F12-F67 HydrophobicContact CB-CZ 3.98Å; K13-F67 VanDerWaalsContact CA-CE2 3.48Å; K13-F67 HydrophobicContact CB-CD1 4.26Å; K13-F67 HydrophobicContact CB-CD2 4.43Å; K13-F67 HydrophobicContact CB-CE1 3.73Å; K13-F67 HydrophobicContact CB-CE2 3.97Å; K13-F67 HydrophobicContact CB-CZ 3.59Å; K13-F67 HydrophobicContact CD-CD1 4.21Å; K13-F67 HydrophobicContact CD-CE1 4.2Å; K13-F67 HydrophobicContact CG-CD1 4.06Å; K13-F67 HydrophobicContact CG-CD2 4.5Å; K13-F67 HydrophobicContact CG-CE1 4.03Å; K13-F67 HydrophobicContact CG-CG 4.28Å; K13-F67 HydrophobicContact CG-CZ 4.28Å; F16-F67 HydrophobicContact CB-CD2 3.81Å; F16-F67 HydrophobicContact CB-CE2 4.2Å; F16-F67 HydrophobicContact CD1-CB 4.28Å; F16-F67 HydrophobicContact CD1-CD2 4.3Å; F16-F67 AromaticContact CD2-CD2 3.95Å; F16-F67 HydrophobicContact CD2-CD2 3.95Å; F16-F67 HydrophobicContact CE1-CB 4.26Å; F16-F67 AromaticContact CG-CD2 3.77Å; F16-F67 HydrophobicContact CG-CD2 3.77Å; F16-F67 HydrophobicContact CZ-CB 4.44Å; F67-H69 VanDerWaalsContact C-N 3.31Å; F67-H69 PolarHBondContact O-N 2.87Å; F67-F70 HydrophobicContact CD2-CD1 4.34Å; F67-F70 HydrophobicContact CE2-CD1 4.42Å; F67-F70 PolarHBondContact O-N 2.82Å; F67-L71 HydrophobicContact CD1-CD1 3.98Å; F67-L71 HydrophobicContact CD1-CG 4.36Å; F67-L71 HydrophobicContact CE1-CD1 3.44Å; F67-L71 VanDerWaalsContact CE1-CD1 3.44Å; F67-L71 HydrophobicContact CE1-CD2 4.33Å; F67-L71 HydrophobicContact CE1-CG 3.84Å; F67-L71 HydrophobicContact CE2-CD2 4.24Å; F67-L71 HydrophobicContact CE2-CG 4.05Å; F67-L71 HydrophobicContact CZ-CD1 3.76Å; F67-L71 HydrophobicContact CZ-CD2 3.76Å; F67-L71 HydrophobicContact CZ-CG 3.65Å; F67-L71 PolarHBondContact O-N 3.43Å
68E95.8Very high96.2Very high158 Ų15856.3 Ų56.374%0.73830%0.302SS*.Hα-helixtrans-67-34.6-179.5-65.5-170.7166.600111.6D66 P72D66-E68 VanDerWaalsContact C-N 3.33Å; D66-E68 PolarHBondContact O-N 3.32Å; D66-E68 PolarHBondContact OD1-N 3.02Å; D66-E68 VanDerWaalsContact OD1-N 3.07Å; E68-P72 WeakPolarHBondContact O-CD 3.41Å
69H96.3Very high96.2Very high114 Ų11456.9 Ų56.953%0.52830%0.3SS..Hα-helixtrans-80.7-28174.2-66.293.5000113L65 D66 F67L65-H69 HydrophobicContact CD1-CB 3.44Å; L65-H69 VanDerWaalsContact CD1-CB 3.44Å; L65-H69 HydrophobicContact CG-CB 4.38Å; D66-H69 PolarHBondContact O-N 3.09Å; D66-H69 IonicContact OD1-CE1 3.81Å; D66-H69 IonicContact OD1-CG 3.47Å; D66-H69 PolarHBondContact OD1-N 3.3Å; D66-H69 IonicContact OD1-ND1 2.73Å; D66-H69 PolarHBondContact OD1-ND1 3.48Å; D66-H69 IonicContact OD2-CE1 3.39Å; D66-H69 PolarHBondContact OD2-CE1 3.11Å; D66-H69 IonicContact OD2-ND1 2.89Å; D66-H69 PolarHBondContact OD2-ND1 3.11Å; F67-H69 VanDerWaalsContact C-N 3.31Å; F67-H69 PolarHBondContact O-N 2.87Å
70F97.5Very high96Very high0 Ų057.1 Ų57.10%030%0.302CS..Hα-helixtrans-69.9-41.6176.6175.2-102.2000113F16 V35 M36 L39 L65 D66 F67 M73 L74F16-F70 HydrophobicContact CD2-CB 4.21Å; F16-F70 AromaticContact CD2-CD1 3.82Å; F16-F70 HydrophobicContact CD2-CD1 3.82Å; F16-F70 HydrophobicContact CD2-CD2 4.48Å; F16-F70 HydrophobicContact CD2-CE1 4.3Å; F16-F70 AromaticContact CD2-CG 3.92Å; F16-F70 HydrophobicContact CD2-CG 3.92Å; F16-F70 HydrophobicContact CE2-CB 3.76Å; F16-F70 HydrophobicContact CE2-CD1 4.22Å; F16-F70 HydrophobicContact CE2-CD2 4.33Å; F16-F70 AromaticContact CE2-CG 3.86Å; F16-F70 HydrophobicContact CE2-CG 3.86Å; V35-F70 HydrophobicContact CB-CE2 4.11Å; V35-F70 HydrophobicContact CB-CZ 3.94Å; V35-F70 HydrophobicContact CG1-CE1 3.97Å; V35-F70 HydrophobicContact CG1-CE2 4.13Å; V35-F70 HydrophobicContact CG1-CZ 3.53Å; M36-F70 HydrophobicContact CE-CD2 4.44Å; M36-F70 HydrophobicContact CE-CE2 3.94Å; M36-F70 HydrophobicContact CG-CE2 3.86Å; M36-F70 HydrophobicContact CG-CZ 3.98Å; L39-F70 HydrophobicContact CD1-CE1 3.84Å; L39-F70 HydrophobicContact CD1-CZ 4.1Å; L65-F70 HydrophobicContact CD2-CB 3.79Å; L65-F70 HydrophobicContact CD2-CD2 3.82Å; L65-F70 HydrophobicContact CD2-CG 4.31Å; L65-F70 HydrophobicContact CG-CB 4.13Å; D66-F70 WeakPolarHBondContact O-CB 3.14Å; D66-F70 PolarHBondContact O-N 3.12Å; F67-F70 HydrophobicContact CD2-CD1 4.34Å; F67-F70 HydrophobicContact CE2-CD1 4.42Å; F67-F70 PolarHBondContact O-N 2.82Å; F70-M73 WeakPolarHBondContact O-CA 3.47Å; F70-M73 VanDerWaalsContact O-CB 3.32Å; F70-M73 WeakPolarHBondContact O-CB 3.23Å; F70-M73 PolarHBondContact O-N 3.02Å; F70-L74 HydrophobicContact CD1-CB 4.49Å; F70-L74 HydrophobicContact CE1-CB 4.04Å; F70-L74 HydrophobicContact CE1-CD2 4.02Å; F70-L74 HydrophobicContact CE1-CG 4.47Å; F70-L74 HydrophobicContact CZ-CB 4.21Å; F70-L74 HydrophobicContact CZ-CD1 4.42Å; F70-L74 PolarHBondContact O-N 3.37Å
71L96.6Very high95.7Very high20 Ų2065 Ų6511%0.10534%0.335CS..Hα-helixtrans-53.5-47.6-175.5-88.4171.1000114.4F4 T9 F12 F67 M73 L74 Q75F4-L71 HydrophobicContact CD2-CD2 4.14Å; T9-L71 HydrophobicContact CG2-CD1 3.86Å; T9-L71 HydrophobicContact CG2-CD2 4.37Å; F12-L71 HydrophobicContact CD2-CD2 4Å; F67-L71 HydrophobicContact CD1-CD1 3.98Å; F67-L71 HydrophobicContact CD1-CG 4.36Å; F67-L71 HydrophobicContact CE1-CD1 3.44Å; F67-L71 VanDerWaalsContact CE1-CD1 3.44Å; F67-L71 HydrophobicContact CE1-CD2 4.33Å; F67-L71 HydrophobicContact CE1-CG 3.84Å; F67-L71 HydrophobicContact CE2-CD2 4.24Å; F67-L71 HydrophobicContact CE2-CG 4.05Å; F67-L71 HydrophobicContact CZ-CD1 3.76Å; F67-L71 HydrophobicContact CZ-CD2 3.76Å; F67-L71 HydrophobicContact CZ-CG 3.65Å; F67-L71 PolarHBondContact O-N 3.43Å; L71-M73 VanDerWaalsContact C-N 3.28Å; L71-M73 PolarHBondContact O-N 3.04Å; L71-L74 PolarHBondContact O-N 3.42Å; L71-Q75 PolarHBondContact O-N 3.45Å
72P96Very high95.5Very high60 Ų6066.3 Ų66.339%0.3934%0.343SS..Hα-helixtrans-62.9-32.6175.2-24.234.2000113.7E68 T76E68-P72 WeakPolarHBondContact O-CD 3.41Å; P72-T76 PolarHBondContact O-N 3.35Å; P72-T76 PolarHBondContact O-OG1 3.41Å
73M97.3Very high95.3Very high29 Ų2964 Ų6414%0.14332%0.324CS..Hα-helixtrans-67.9-47.5176.2-58.9178.6-176.200110.3M36 V51 L52 L65 F70 L71 Q75 T76 V77M36-M73 HydrophobicContact CE-CB 3.71Å; V51-M73 HydrophobicContact CB-CB 4.07Å; V51-M73 HydrophobicContact CB-CG 4.2Å; V51-M73 HydrophobicContact CG2-CB 4.09Å; V51-M73 HydrophobicContact CG2-CG 4.47Å; L52-M73 HydrophobicContact CD2-CE 4.33Å; L52-M73 HydrophobicContact CD2-SD 3.91Å; L65-M73 HydrophobicContact CD1-CE 3.68Å; L65-M73 HydrophobicContact CD1-SD 4.12Å; L65-M73 HydrophobicContact CD2-CE 4.44Å; L65-M73 HydrophobicContact CD2-SD 3.8Å; F70-M73 WeakPolarHBondContact O-CA 3.47Å; F70-M73 VanDerWaalsContact O-CB 3.32Å; F70-M73 WeakPolarHBondContact O-CB 3.23Å; F70-M73 PolarHBondContact O-N 3.02Å; L71-M73 VanDerWaalsContact C-N 3.28Å; L71-M73 PolarHBondContact O-N 3.04Å; M73-Q75 VanDerWaalsContact C-N 3.32Å; M73-Q75 PolarHBondContact O-N 2.98Å; M73-T76 WeakPolarHBondContact O-CB 3.33Å; M73-T76 PolarHBondContact O-N 3.05Å; M73-T76 VanDerWaalsContact O-N 3.11Å; M73-V77 PolarHBondContact O-N 3Å
74L97.3Very high95.2Very high1 Ų162.1 Ų62.11%0.00533%0.327CS..Hα-helixtrans-57.4-45.2174.8178.666.5000111.3F4 F12 M36 L39 Q41 F70 L71 T76 V77 A78F4-L74 HydrophobicContact CE2-CD2 4.26Å; F4-L74 HydrophobicContact CE2-CG 4.33Å; F4-L74 HydrophobicContact CZ-CD2 4.32Å; F4-L74 HydrophobicContact CZ-CG 4.2Å; F12-L74 HydrophobicContact CB-CD2 4.48Å; F12-L74 HydrophobicContact CD1-CD2 4.3Å; F12-L74 HydrophobicContact CD2-CD2 3.51Å; F12-L74 HydrophobicContact CE1-CD2 4.42Å; F12-L74 HydrophobicContact CE2-CD2 3.65Å; F12-L74 HydrophobicContact CG-CD2 3.85Å; F12-L74 HydrophobicContact CZ-CD2 4.11Å; M36-L74 HydrophobicContact CG-CD1 4.21Å; L39-L74 HydrophobicContact CB-CD1 4.35Å; L39-L74 HydrophobicContact CD1-CD1 4.25Å; L39-L74 HydrophobicContact CD1-CD2 3.66Å; Q41-L74 HydrophobicContact CG-CD1 3.7Å; F70-L74 HydrophobicContact CD1-CB 4.49Å; F70-L74 HydrophobicContact CE1-CB 4.04Å; F70-L74 HydrophobicContact CE1-CD2 4.02Å; F70-L74 HydrophobicContact CE1-CG 4.47Å; F70-L74 HydrophobicContact CZ-CB 4.21Å; F70-L74 HydrophobicContact CZ-CD1 4.42Å; F70-L74 PolarHBondContact O-N 3.37Å; L71-L74 PolarHBondContact O-N 3.42Å; L74-T76 VanDerWaalsContact C-N 3.27Å; L74-T76 PolarHBondContact O-N 3.35Å; L74-V77 PolarHBondContact O-N 3.38Å; L74-A78 WeakPolarHBondContact O-CB 3.32Å; L74-A78 PolarHBondContact O-N 3.3Å
75Q95.8Very high95.1Very high21 Ų2161.9 Ų61.910%0.09833%0.326CS..Hα-helixtrans-63.1-34.3177.9-168.5-174.1-100112.7C2 D3 F4 L71 M73 K79C2-Q75 PolarHBondContact SG-OE1 3.01Å; D3-Q75 PolarHBondContact OD2-NE2 3.11Å; F4-Q75 HydrophobicContact CD2-CB 4.5Å; F4-Q75 HydrophobicContact CE2-CB 3.61Å; F4-Q75 HydrophobicContact CE2-CG 4.09Å; F4-Q75 HydrophobicContact CZ-CB 3.95Å; F4-Q75 HydrophobicContact CZ-CG 4.22Å; L71-Q75 PolarHBondContact O-N 3.45Å; M73-Q75 VanDerWaalsContact C-N 3.32Å; M73-Q75 PolarHBondContact O-N 2.98Å; Q75-K79 HydrophobicContact CG-CD 4.4Å; Q75-K79 VanDerWaalsContact NE2-NZ 3.17Å; Q75-K79 WeakPolarHBondContact O-CB 3.44Å; Q75-K79 VanDerWaalsContact O-CG 3.27Å; Q75-K79 WeakPolarHBondContact O-CG 3.43Å; Q75-K79 PolarHBondContact O-N 3.03Å
76T95.8Very high95.1Very high89 Ų8964.3 Ų64.355%0.54634%0.335SS..Hα-helixtrans-66.3-45176.4-59.70000110.6V51 P72 M73 L74 K79V51-T76 HydrophobicContact CG1-CG2 4.06Å; P72-T76 PolarHBondContact O-N 3.35Å; P72-T76 PolarHBondContact O-OG1 3.41Å; M73-T76 WeakPolarHBondContact O-CB 3.33Å; M73-T76 PolarHBondContact O-N 3.05Å; M73-T76 VanDerWaalsContact O-N 3.11Å; L74-T76 VanDerWaalsContact C-N 3.27Å; L74-T76 PolarHBondContact O-N 3.35Å; T76-K79 PolarHBondContact O-N 3.05Å
77V96.3Very high95.1Very high8 Ų867.5 Ų67.55%0.04835%0.349CS..Hα-helixtrans-64.6-46.6176.2171.30000111.1M36 Q41 P43 V51 M73 L74 K79 N80M36-V77 HydrophobicContact CE-CG2 4.22Å; M36-V77 HydrophobicContact SD-CB 4.49Å; M36-V77 HydrophobicContact SD-CG2 3.83Å; Q41-V77 HydrophobicContact CB-CG1 3.82Å; Q41-V77 HydrophobicContact CG-CG1 4.23Å; P43-V77 HydrophobicContact CB-CG1 3.81Å; P43-V77 HydrophobicContact CB-CG2 4.35Å; P43-V77 HydrophobicContact CG-CG1 4.08Å; V51-V77 HydrophobicContact CG1-CG2 4.19Å; M73-V77 PolarHBondContact O-N 3Å; L74-V77 PolarHBondContact O-N 3.38Å; V77-K79 PolarHBondContact O-N 2.84Å; V77-K79 VanDerWaalsContact O-N 3.12Å; V77-N80 WeakPolarHBondContact O-CB 3.33Å; V77-N80 PolarHBondContact O-N 3.44Å
78A94.4Very high95.1Very high39 Ų3971 Ų7132%0.32237%0.368SS..Hα-helixtrans-64.4-18.7-179.600000114.3F4 Q41 L74F4-A78 HydrophobicContact CZ-CB 4.3Å; Q41-A78 VanDerWaalsContact OE1-CA 3.25Å; L74-A78 WeakPolarHBondContact O-CB 3.32Å; L74-A78 PolarHBondContact O-N 3.3Å
79K94.2Very high95.2Very high121 Ų12168.4 Ų68.453%0.52635%0.353SS..THydrogen-bonded Turntrans-83.2-13.4173.6-77.9175.8176.4-179.30113D3 Q75 T76 V77 K81D3-K79 WeakPolarHBondContact OD2-CE 3.33Å; D3-K79 IonicContact OD2-NZ 3.91Å; D3-K79 PolarHBondContact OD2-NZ 3.02Å; Q75-K79 HydrophobicContact CG-CD 4.4Å; Q75-K79 VanDerWaalsContact NE2-NZ 3.17Å; Q75-K79 WeakPolarHBondContact O-CB 3.44Å; Q75-K79 VanDerWaalsContact O-CG 3.27Å; Q75-K79 WeakPolarHBondContact O-CG 3.43Å; Q75-K79 PolarHBondContact O-N 3.03Å; T76-K79 PolarHBondContact O-N 3.05Å; V77-K79 PolarHBondContact O-N 2.84Å; V77-K79 VanDerWaalsContact O-N 3.12Å; K79-K81 PolarHBondContact O-N 3.3Å
80N92.6Very high95.3Very high54 Ų5463.2 Ų63.229%0.28933%0.329SS..  trans-73.9111.7175-169.43.2000109.9E47 V77 D82 Q83E47-N80 PolarHBondContact OE1-ND2 2.91Å; V77-N80 WeakPolarHBondContact O-CB 3.33Å; V77-N80 PolarHBondContact O-N 3.44Å; N80-D82 PolarHBondContact OD1-N 3.47Å; N80-Q83 PolarHBondContact ND2-NE2 2.82Å
81K88.4Confident95.2Very high200 Ų20067.9 Ų67.987%0.8735%0.351SS*.  trans-97-7.8176.8-61.1-167.6177.6-1700113.2K79 Q83K79-K81 PolarHBondContact O-N 3.3Å; K81-Q83 PolarHBondContact O-N 2.95Å
82D91.5Very high95.2Very high137 Ų13768.9 Ų68.973%0.73337%0.366SS*.  trans-94.779.3-179.5-166.817.5000108.7N80N80-D82 PolarHBondContact OD1-N 3.47Å
83Q91Very high95.2Very high63 Ų6367.4 Ų67.429%0.29436%0.355SS..SBendtrans-112.45.8-178.9-61.7-70.3-82.200111.7N42 N80 K81 Y89N42-Q83 PolarHBondContact O-OE1 2.97Å; N42-Q83 VanDerWaalsContact O-OE1 3.1Å; N80-Q83 PolarHBondContact ND2-NE2 2.82Å; K81-Q83 PolarHBondContact O-N 2.95Å; Q83-Y89 PolarHBondContact O-OH 2.85Å
84G94.2Very high95.2Very high39 Ų3970.8 Ų70.840%0.40237%0.366SS..  trans82.2154.6-170.200000113.1
85T95.5Very high95.2Very high69 Ų6976.4 Ų76.442%0.42340%0.4SS..  trans-100.5164176.363.70000111E87 D88 Y89T85-E87 PolarHBondContact O-N 2.78Å; T85-D88 WeakPolarHBondContact CB-OD2 3.33Å; T85-D88 PolarHBondContact N-OD2 3.39Å; T85-D88 WeakPolarHBondContact O-CB 3.42Å; T85-D88 PolarHBondContact O-N 3.2Å; T85-D88 VanDerWaalsContact O-N 3.08Å; T85-D88 PolarHBondContact OG1-N 3.24Å; T85-D88 PolarHBondContact OG1-OD2 3.42Å; T85-Y89 WeakPolarHBondContact O-CD2 3.45Å; T85-Y89 PolarHBondContact O-N 3.03Å
86Y96.8Very high95.1Very high56 Ų5677.5 Ų77.522%0.2241%0.405CS..Hα-helixtrans-51.4-43.7172.5168.6-98.7000111.3D88 Y89 V90 E142 V145 R146 L149Y86-D88 PolarHBondContact O-N 3.34Å; Y86-Y89 PolarHBondContact O-N 3.46Å; Y86-V90 HydrophobicContact CD1-CG2 4.28Å; Y86-V90 HydrophobicContact CD2-CG2 4.27Å; Y86-V90 HydrophobicContact CE1-CG2 3.78Å; Y86-V90 HydrophobicContact CE2-CG2 3.75Å; Y86-V90 VanDerWaalsContact CZ-CG2 3.49Å; Y86-V90 WeakPolarHBondContact O-CG2 3.39Å; Y86-V90 PolarHBondContact O-N 3.24Å; Y86-E142 WeakPolarHBondContact OH-CB 3.44Å; Y86-V145 HydrophobicContact CD2-CB 4.44Å; Y86-V145 HydrophobicContact CD2-CG1 3.58Å; Y86-V145 HydrophobicContact CE2-CB 4.16Å; Y86-V145 HydrophobicContact CE2-CG1 3.8Å; Y86-R146 HydrophobicContact CD2-CG 4.27Å; Y86-R146 HydrophobicContact CE2-CG 3.5Å; Y86-R146 VanDerWaalsContact CE2-CG 3.5Å; Y86-R146 PolarHBondContact OH-NE 3.43Å; Y86-R146 PolarHBondContact OH-NH2 3.21Å; Y86-R146 VanDerWaalsContact OH-NH2 3.12Å; Y86-L149 HydrophobicContact CD2-CD1 4.17Å
87E97.3Very high95.2Very high116 Ų11674.1 Ų74.154%0.54238%0.383SS..Hα-helixtrans-62-41.4178.6-67.771.9-162.100111.9T85 Y89 V90 E91T85-E87 PolarHBondContact O-N 2.78Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 PolarHBondContact O-N 2.75Å; E87-V90 PolarHBondContact O-N 3.31Å; E87-E91 WeakPolarHBondContact O-CG 3.38Å; E87-E91 PolarHBondContact O-N 3.16Å
88D97Very high95.1Very high96 Ų9681.3 Ų81.351%0.51341%0.414SS..Hα-helixtrans-61-43.7178.4-62.4-45.6000111.7T85 Y86 G92T85-D88 WeakPolarHBondContact CB-OD2 3.33Å; T85-D88 PolarHBondContact N-OD2 3.39Å; T85-D88 WeakPolarHBondContact O-CB 3.42Å; T85-D88 PolarHBondContact O-N 3.2Å; T85-D88 VanDerWaalsContact O-N 3.08Å; T85-D88 PolarHBondContact OG1-N 3.24Å; T85-D88 PolarHBondContact OG1-OD2 3.42Å; Y86-D88 PolarHBondContact O-N 3.34Å; D88-G92 PolarHBondContact O-N 3.09Å
89Y97.1Very high95Very high104 Ų10487.2 Ų87.241%0.40844%0.435SS..Hα-helixtrans-67.3-40.5177.8-68.2-66.5000112.4Q83 T85 Y86 E87 G92 L93 V145 L149Q83-Y89 PolarHBondContact O-OH 2.85Å; T85-Y89 WeakPolarHBondContact O-CD2 3.45Å; T85-Y89 PolarHBondContact O-N 3.03Å; Y86-Y89 PolarHBondContact O-N 3.46Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 PolarHBondContact O-N 2.75Å; Y89-G92 PolarHBondContact O-N 3.46Å; Y89-L93 PolarHBondContact O-N 3.25Å; Y89-L93 VanDerWaalsContact O-N 3.12Å; Y89-V145 HydrophobicContact CG-CG1 4.39Å; Y89-L149 HydrophobicContact CD2-CD1 4.08Å; Y89-L149 HydrophobicContact CD2-CD2 4.24Å; Y89-L149 HydrophobicContact CE2-CD1 4.45Å; Y89-L149 HydrophobicContact CE2-CD2 3.88Å
90V97.8Very high95.1Very high6 Ų684.5 Ų84.54%0.03644%0.441CS..Hα-helixtrans-64.1-46.6177.2167.40000111.2Y86 E87 G92 L93 R94 Y141 E142 V145Y86-V90 HydrophobicContact CD1-CG2 4.28Å; Y86-V90 HydrophobicContact CD2-CG2 4.27Å; Y86-V90 HydrophobicContact CE1-CG2 3.78Å; Y86-V90 HydrophobicContact CE2-CG2 3.75Å; Y86-V90 VanDerWaalsContact CZ-CG2 3.49Å; Y86-V90 WeakPolarHBondContact O-CG2 3.39Å; Y86-V90 PolarHBondContact O-N 3.24Å; E87-V90 PolarHBondContact O-N 3.31Å; V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 2.96Å; V90-L93 PolarHBondContact O-N 2.79Å; V90-R94 WeakPolarHBondContact O-CB 3.42Å; V90-R94 PolarHBondContact O-N 3.27Å; V90-Y141 HydrophobicContact CG1-CD2 4.25Å; V90-Y141 HydrophobicContact CG1-CE2 3.87Å; V90-E142 HydrophobicContact CG1-CG 4.06Å; V90-E142 HydrophobicContact CG2-CG 4.2Å; V90-V145 HydrophobicContact CG2-CB 4.28Å; V90-V145 HydrophobicContact CG2-CG1 4.29Å; V90-V145 HydrophobicContact CG2-CG2 4.31Å
91E96.8Very high95.3Very high98 Ų9886 Ų8646%0.45845%0.449SS..Hα-helixtrans-63.9-37.3176.7-68-57.4150.300111.6E87 L93 R94 V95E87-E91 WeakPolarHBondContact O-CG 3.38Å; E87-E91 PolarHBondContact O-N 3.16Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 2.8Å; E91-R94 PolarHBondContact O-N 3.12Å; E91-R94 IonicContact OE1-CZ 3.12Å; E91-R94 IonicContact OE1-NH1 3.57Å; E91-R94 PolarHBondContact OE1-NH1 3.4Å; E91-R94 IonicContact OE1-NH2 2.87Å; E91-R94 PolarHBondContact OE1-NH2 2.92Å; E91-R94 IonicContact OE2-CZ 3.04Å; E91-R94 IonicContact OE2-NE 2.82Å; E91-R94 IonicContact OE2-NH1 3.84Å; E91-R94 PolarHBondContact OE2-NH1 3.1Å; E91-V95 PolarHBondContact O-N 3.12Å
92G96Very high95.7Very high41 Ų4177 Ų7742%0.42341%0.414SS..Hα-helixtrans-59.1-41.7175.300000113.2D88 Y89 V90D88-G92 PolarHBondContact O-N 3.09Å; Y89-G92 PolarHBondContact O-N 3.46Å; V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 2.96Å
93L96.7Very high96Very high29 Ų2972 Ų7215%0.15239%0.388CS..Hα-helixtrans-79.2-30.1177-68.9176.6000113.1Y89 V90 E91 V95 F96 Y141 F144 V145Y89-L93 PolarHBondContact O-N 3.25Å; Y89-L93 VanDerWaalsContact O-N 3.12Å; V90-L93 PolarHBondContact O-N 2.79Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 2.8Å; L93-V95 PolarHBondContact O-N 3.24Å; L93-V95 VanDerWaalsContact O-N 3.16Å; L93-F96 WeakPolarHBondContact O-CD2 3.25Å; L93-F96 PolarHBondContact O-N 3.42Å; L93-Y141 HydrophobicContact CB-CD2 4.31Å; L93-Y141 HydrophobicContact CB-CG 4.1Å; L93-F144 HydrophobicContact CD1-CD1 4.23Å; L93-V145 HydrophobicContact CD1-CG2 3.66Å
94R96.8Very high96.4Very high100 Ų10069.1 Ų69.138%0.37738%0.375SS..Hα-helixtrans-59.4-27178.4-173.8-177.5-69.21605.1112.8V90 E91 F96 D97 Y141V90-R94 WeakPolarHBondContact O-CB 3.42Å; V90-R94 PolarHBondContact O-N 3.27Å; E91-R94 PolarHBondContact O-N 3.12Å; E91-R94 IonicContact OE1-CZ 3.12Å; E91-R94 IonicContact OE1-NH1 3.57Å; E91-R94 PolarHBondContact OE1-NH1 3.4Å; E91-R94 IonicContact OE1-NH2 2.87Å; E91-R94 PolarHBondContact OE1-NH2 2.92Å; E91-R94 IonicContact OE2-CZ 3.04Å; E91-R94 IonicContact OE2-NE 2.82Å; E91-R94 IonicContact OE2-NH1 3.84Å; E91-R94 PolarHBondContact OE2-NH1 3.1Å; R94-F96 PolarHBondContact O-N 3.27Å; R94-D97 PolarHBondContact O-N 3.17Å; R94-Y141 HydrophobicContact CB-CE2 4.48Å
95V96.2Very high96.5Very high118 Ų11872.6 Ų72.672%0.71538%0.382SS*.THydrogen-bonded Turntrans-55.9-24.8175176.60000112.5E91 L93E91-V95 PolarHBondContact O-N 3.12Å; L93-V95 PolarHBondContact O-N 3.24Å; L93-V95 VanDerWaalsContact O-N 3.16Å
96F95.5Very high96.6Very high45 Ų4569.3 Ų69.320%0.19736%0.362CS..THydrogen-bonded Turntrans-94.9-9.6178.7-53.8-75.9000113.5L93 R94 K98 V104 E108 V112L93-F96 WeakPolarHBondContact O-CD2 3.25Å; L93-F96 PolarHBondContact O-N 3.42Å; R94-F96 PolarHBondContact O-N 3.27Å; F96-K98 PolarHBondContact O-N 3.19Å; F96-K98 VanDerWaalsContact O-N 3.09Å; F96-V104 HydrophobicContact CB-CG1 3.73Å; F96-V104 HydrophobicContact CB-CG2 3.9Å; F96-E108 HydrophobicContact CB-CG 4.24Å; F96-E108 HydrophobicContact CD1-CG 4.11Å; F96-E108 HydrophobicContact CG-CG 4.44Å; F96-V112 HydrophobicContact CD1-CG2 3.96Å; F96-V112 HydrophobicContact CD2-CG2 4.44Å; F96-V112 HydrophobicContact CE1-CG2 3.4Å; F96-V112 HydrophobicContact CE2-CG1 4.14Å; F96-V112 HydrophobicContact CE2-CG2 3.95Å; F96-V112 HydrophobicContact CG-CG2 4.45Å; F96-V112 HydrophobicContact CZ-CB 4.35Å; F96-V112 HydrophobicContact CZ-CG1 3.99Å; F96-V112 HydrophobicContact CZ-CG2 3.39Å
97D96.8Very high96.5Very high17 Ų1769.7 Ų69.79%0.09138%0.376CS..  trans-81.288.7175.5-1793.2000110.2R94 E99 G100 N101 G102 V104 Y141R94-D97 PolarHBondContact O-N 3.17Å; D97-E99 PolarHBondContact O-N 2.7Å; D97-E99 PolarHBondContact OD1-N 3.26Å; D97-G100 VanDerWaalsContact CG-N 3.35Å; D97-G100 PolarHBondContact O-N 3.22Å; D97-G100 WeakPolarHBondContact OD1-CA 3.18Å; D97-G100 PolarHBondContact OD1-N 3.44Å; D97-G100 VanDerWaalsContact OD2-C 3.24Å; D97-G100 VanDerWaalsContact OD2-CA 3.26Å; D97-G100 WeakPolarHBondContact OD2-CA 3.44Å; D97-N101 PolarHBondContact OD1-N 2.75Å; D97-N101 PolarHBondContact OD2-N 3.13Å; D97-G102 PolarHBondContact OD2-N 3.25Å; D97-V104 HydrophobicContact CB-CG2 4.09Å; D97-Y141 HydrophobicContact CB-CE1 3.78Å
98K93.4Very high96.5Very high160 Ų16066.4 Ų66.470%0.69636%0.361SS*.SBendtrans-68.2-24.3-178-66.8168.9-173.2127.80113F96 E108F96-K98 PolarHBondContact O-N 3.19Å; F96-K98 VanDerWaalsContact O-N 3.09Å; K98-E108 IonicContact NZ-OE1 2.61Å; K98-E108 PolarHBondContact NZ-OE1 3.21Å; K98-E108 IonicContact NZ-OE2 2.97Å; K98-E108 PolarHBondContact NZ-OE2 3.33Å
99E94.3Very high96.5Very high163 Ų16362 Ų6276%0.76234%0.337SS*.SBendtrans-97-15.3-176.2-61.5-169.516000112.5D97 N101D97-E99 PolarHBondContact O-N 2.7Å; D97-E99 PolarHBondContact OD1-N 3.26Å; E99-N101 VanDerWaalsContact C-N 3.27Å; E99-N101 HydrophobicContact CB-CB 4.29Å; E99-N101 PolarHBondContact OE2-ND2 3.18Å
100G95.9Very high96.5Very high64 Ų6459.2 Ų59.266%0.6633%0.326SS*.SBendtrans66.529.7-17500000112.5D97D97-G100 VanDerWaalsContact CG-N 3.35Å; D97-G100 PolarHBondContact O-N 3.22Å; D97-G100 WeakPolarHBondContact OD1-CA 3.18Å; D97-G100 PolarHBondContact OD1-N 3.44Å; D97-G100 VanDerWaalsContact OD2-C 3.24Å; D97-G100 VanDerWaalsContact OD2-CA 3.26Å; D97-G100 WeakPolarHBondContact OD2-CA 3.44Å
101N96.1Very high96.5Very high84 Ų8464.6 Ų64.645%0.44935%0.351SS..SBendtrans-98.7-0.6-173.772.613.6000113.5D97 E99 T103D97-N101 PolarHBondContact OD1-N 2.75Å; D97-N101 PolarHBondContact OD2-N 3.13Å; E99-N101 VanDerWaalsContact C-N 3.27Å; E99-N101 HydrophobicContact CB-CB 4.29Å; E99-N101 PolarHBondContact OE2-ND2 3.18Å; N101-T103 PolarHBondContact ND2-OG1 3.03Å; N101-T103 WeakPolarHBondContact OD1-CA 3.49Å; N101-T103 WeakPolarHBondContact OD1-CB 3.49Å; N101-T103 PolarHBondContact OD1-N 2.66Å; N101-T103 PolarHBondContact OD1-O 2.92Å; N101-T103 PolarHBondContact OD1-OG1 3.42Å
102G97.5Very high96.4Very high13 Ų1361 Ų6113%0.13434%0.335CS..SBendtrans87.711-177.900000114.3D97 N140 Y141D97-G102 PolarHBondContact OD2-N 3.25Å; G102-N140 WeakPolarHBondContact O-CA 3.49Å; G102-N140 PolarHBondContact O-ND2 3.3Å; G102-Y141 VanDerWaalsContact CA-CE1 3.47Å; G102-Y141 WeakPolarHBondContact O-CD1 3.3Å; G102-Y141 WeakPolarHBondContact O-CE1 3.39Å; G102-Y141 PolarHBondContact O-N 2.91Å
103T98Very high96.5Very high31 Ų3161.2 Ų61.219%0.1933%0.326CS..EExtended strand (participates in β ladder)trans-132.5152.5-179.571.90000112.7N101 I139N101-T103 PolarHBondContact ND2-OG1 3.03Å; N101-T103 WeakPolarHBondContact OD1-CA 3.49Å; N101-T103 WeakPolarHBondContact OD1-CB 3.49Å; N101-T103 PolarHBondContact OD1-N 2.66Å; N101-T103 PolarHBondContact OD1-O 2.92Å; N101-T103 PolarHBondContact OD1-OG1 3.42Å; T103-I139 CarbonylContact C-O 3.47Å; T103-I139 WeakPolarHBondContact CA-O 3.06Å; T103-I139 WeakPolarHBondContact CB-O 3.5Å
104V97.8Very high96.5Very high3 Ų361.6 Ų61.62%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-129.1144173.5175.80000108F96 D97 G106 E108 I109 I139 Y141F96-V104 HydrophobicContact CB-CG1 3.73Å; F96-V104 HydrophobicContact CB-CG2 3.9Å; D97-V104 HydrophobicContact CB-CG2 4.09Å; V104-G106 PolarHBondContact O-N 2.96Å; V104-E108 HydrophobicContact CG1-CB 3.96Å; V104-E108 HydrophobicContact CG1-CG 4.21Å; V104-I109 HydrophobicContact CB-CD1 4.2Å; V104-I109 HydrophobicContact CB-CG1 4.08Å; V104-I109 HydrophobicContact CG1-CD1 4.38Å; V104-I109 HydrophobicContact CG1-CG1 3.7Å; V104-I139 PolarHBondContact N-O 2.95Å; V104-I139 PolarHBondContact O-N 3.46Å; V104-Y141 HydrophobicContact CG2-CD1 3.85Å; V104-Y141 HydrophobicContact CG2-CE1 4.45Å
105M97.1Very high96.5Very high112 Ų11259.2 Ų59.255%0.55233%0.327SS*.EExtended strand (participates in β ladder)trans-58.6131.2174.1-68.8-174.37000109.8A107 E108 I109M105-A107 PolarHBondContact O-N 3.28Å; M105-E108 HydrophobicContact CB-CB 4.24Å; M105-E108 WeakPolarHBondContact O-CA 3.4Å; M105-E108 WeakPolarHBondContact O-CB 3.41Å; M105-E108 PolarHBondContact O-N 2.85Å; M105-I109 PolarHBondContact O-N 2.87Å; M105-I109 VanDerWaalsContact O-N 3.16Å
106G96.8Very high96.5Very high0 Ų058.6 Ų58.60%032%0.319CS..Hα-helixtrans-58.2-36.2-18000000112.4V104 E108 I109 R110 E133 G137V104-G106 PolarHBondContact O-N 2.96Å; G106-E108 VanDerWaalsContact C-N 3.27Å; G106-E108 PolarHBondContact O-N 3.03Å; G106-I109 PolarHBondContact O-N 3.22Å; G106-R110 VanDerWaalsContact O-CG 3.25Å; G106-R110 WeakPolarHBondContact O-CG 3.19Å; G106-R110 PolarHBondContact O-N 3.16Å; G106-E133 WeakPolarHBondContact CA-OE1 3.5Å; G106-G137 PolarHBondContact N-O 3.25Å
107A96.5Very high96.4Very high64 Ų6460.1 Ų60.153%0.52935%0.347SS..Hα-helixtrans-57.3-35.1171.200000113.9M105 H111M105-A107 PolarHBondContact O-N 3.28Å; A107-H111 WeakPolarHBondContact O-CB 3.26Å; A107-H111 PolarHBondContact O-N 2.79Å
108E96.1Very high96.4Very high46 Ų4663.3 Ų63.322%0.21536%0.361CS..Hα-helixtrans-73.7-42.7177.6-170.5159.2-16400110.7F96 K98 V104 M105 G106 R110 H111 V112F96-E108 HydrophobicContact CB-CG 4.24Å; F96-E108 HydrophobicContact CD1-CG 4.11Å; F96-E108 HydrophobicContact CG-CG 4.44Å; K98-E108 IonicContact NZ-OE1 2.61Å; K98-E108 PolarHBondContact NZ-OE1 3.21Å; K98-E108 IonicContact NZ-OE2 2.97Å; K98-E108 PolarHBondContact NZ-OE2 3.33Å; V104-E108 HydrophobicContact CG1-CB 3.96Å; V104-E108 HydrophobicContact CG1-CG 4.21Å; M105-E108 HydrophobicContact CB-CB 4.24Å; M105-E108 WeakPolarHBondContact O-CA 3.4Å; M105-E108 WeakPolarHBondContact O-CB 3.41Å; M105-E108 PolarHBondContact O-N 2.85Å; G106-E108 VanDerWaalsContact C-N 3.27Å; G106-E108 PolarHBondContact O-N 3.03Å; E108-R110 VanDerWaalsContact C-N 3.35Å; E108-R110 PolarHBondContact O-N 3.22Å; E108-H111 PolarHBondContact O-N 3.05Å; E108-V112 VanDerWaalsContact O-CG2 3.28Å; E108-V112 WeakPolarHBondContact O-CG2 3.27Å; E108-V112 PolarHBondContact O-N 2.81Å
109I96.7Very high96.5Very high4 Ų462.6 Ų62.62%0.02136%0.358CS..Hα-helixtrans-58.9-47172.5-62.2-163.8000110.8V104 M105 G106 H111 V112 L113 V129 I139 F144V104-I109 HydrophobicContact CB-CD1 4.2Å; V104-I109 HydrophobicContact CB-CG1 4.08Å; V104-I109 HydrophobicContact CG1-CD1 4.38Å; V104-I109 HydrophobicContact CG1-CG1 3.7Å; M105-I109 PolarHBondContact O-N 2.87Å; M105-I109 VanDerWaalsContact O-N 3.16Å; G106-I109 PolarHBondContact O-N 3.22Å; I109-H111 VanDerWaalsContact C-N 3.34Å; I109-H111 PolarHBondContact O-N 2.9Å; I109-V112 PolarHBondContact O-N 2.84Å; I109-L113 HydrophobicContact CG2-CD1 3.84Å; I109-L113 HydrophobicContact CG2-CG 4.33Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 2.79Å; I109-V129 HydrophobicContact CG2-CG2 4.25Å; I109-I139 HydrophobicContact CD1-CB 3.96Å; I109-I139 HydrophobicContact CD1-CD1 3.97Å; I109-I139 HydrophobicContact CD1-CG2 3.99Å; I109-F144 HydrophobicContact CG2-CE1 4.31Å
110R97.7Very high96.7Very high45 Ų4557.5 Ų57.517%0.1734%0.335CS..Hα-helixtrans-57-48.6177.6-70.4178.9-172.9-66.67111.6G106 E108 V112 L113 V114 V125 E126 V129 E133G106-R110 VanDerWaalsContact O-CG 3.25Å; G106-R110 WeakPolarHBondContact O-CG 3.19Å; G106-R110 PolarHBondContact O-N 3.16Å; E108-R110 VanDerWaalsContact C-N 3.35Å; E108-R110 PolarHBondContact O-N 3.22Å; R110-V112 VanDerWaalsContact C-N 3.32Å; R110-V112 PolarHBondContact O-N 2.69Å; R110-L113 PolarHBondContact O-N 3.11Å; R110-V114 WeakPolarHBondContact O-CG2 3.31Å; R110-V114 PolarHBondContact O-N 3.32Å; R110-V125 HydrophobicContact CB-CG1 4.02Å; R110-V125 HydrophobicContact CG-CG1 3.78Å; R110-V125 PolarHBondContact NH1-O 3.02Å; R110-E126 IonicContact CZ-OE1 3.53Å; R110-E126 IonicContact CZ-OE2 3.8Å; R110-E126 IonicContact NE-OE2 2.77Å; R110-E126 IonicContact NH1-OE1 3.17Å; R110-E126 IonicContact NH1-OE2 2.82Å; R110-E126 PolarHBondContact NH1-OE2 3.25Å; R110-E126 VanDerWaalsContact NH2-CD 3.32Å; R110-E126 IonicContact NH2-OE1 3.59Å; R110-E126 PolarHBondContact NH2-OE1 3.04Å; R110-E126 IonicContact NH2-OE2 2.7Å; R110-E126 PolarHBondContact NH2-OE2 3.43Å; R110-E126 VanDerWaalsContact NH2-OE2 3.12Å; R110-V129 HydrophobicContact CG-CG2 4.45Å; R110-V129 VanDerWaalsContact CZ-CG1 3.47Å; R110-E133 IonicContact NH2-OE2 3.34Å
111H97Very high96.8Very high120 Ų12057.8 Ų57.856%0.55632%0.324SS*.Hα-helixtrans-60.7-42.3179-174.568.2000112.1A107 E108 I109 V114 T115A107-H111 WeakPolarHBondContact O-CB 3.26Å; A107-H111 PolarHBondContact O-N 2.79Å; E108-H111 PolarHBondContact O-N 3.05Å; I109-H111 VanDerWaalsContact C-N 3.34Å; I109-H111 PolarHBondContact O-N 2.9Å; H111-V114 WeakPolarHBondContact O-CG2 3.37Å; H111-T115 WeakPolarHBondContact O-CB 3.41Å; H111-T115 VanDerWaalsContact O-CG2 3.31Å; H111-T115 WeakPolarHBondContact O-CG2 3.28Å; H111-T115 PolarHBondContact O-N 2.92Å; H111-T115 PolarHBondContact O-OG1 2.92Å
112V96.2Very high96.8Very high23 Ų2361 Ų6114%0.13934%0.336CS..Hα-helixtrans-61.8-48.8179.1166.50000111.2F96 E108 I109 R110 V114 T115 L116F96-V112 HydrophobicContact CD1-CG2 3.96Å; F96-V112 HydrophobicContact CD2-CG2 4.44Å; F96-V112 HydrophobicContact CE1-CG2 3.4Å; F96-V112 HydrophobicContact CE2-CG1 4.14Å; F96-V112 HydrophobicContact CE2-CG2 3.95Å; F96-V112 HydrophobicContact CG-CG2 4.45Å; F96-V112 HydrophobicContact CZ-CB 4.35Å; F96-V112 HydrophobicContact CZ-CG1 3.99Å; F96-V112 HydrophobicContact CZ-CG2 3.39Å; E108-V112 VanDerWaalsContact O-CG2 3.28Å; E108-V112 WeakPolarHBondContact O-CG2 3.27Å; E108-V112 PolarHBondContact O-N 2.81Å; I109-V112 PolarHBondContact O-N 2.84Å; R110-V112 VanDerWaalsContact C-N 3.32Å; R110-V112 PolarHBondContact O-N 2.69Å; V112-V114 VanDerWaalsContact C-N 3.32Å; V112-V114 PolarHBondContact O-N 3.08Å; V112-T115 PolarHBondContact O-N 3.15Å; V112-L116 HydrophobicContact CG1-CD1 4.24Å; V112-L116 PolarHBondContact O-N 3.4Å
113L97.2Very high96.8Very high44 Ų4466.5 Ų66.523%0.2336%0.359CS..Hα-helixtrans-67.2-27.8-175.7-67.2174.6000113.9I109 R110 M120 V125 L128 V129I109-L113 HydrophobicContact CG2-CD1 3.84Å; I109-L113 HydrophobicContact CG2-CG 4.33Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 2.79Å; R110-L113 PolarHBondContact O-N 3.11Å; L113-M120 HydrophobicContact CB-SD 4.29Å; L113-M120 HydrophobicContact CD1-SD 4.49Å; L113-M120 HydrophobicContact CD2-SD 4.3Å; L113-M120 PolarHBondContact O-N 3.46Å; L113-V125 HydrophobicContact CB-CG1 4.4Å; L113-V125 HydrophobicContact CB-CG2 3.62Å; L113-V125 HydrophobicContact CD1-CG1 4.27Å; L113-V125 HydrophobicContact CD1-CG2 4.35Å; L113-L128 HydrophobicContact CD1-CD2 3.85Å; L113-V129 HydrophobicContact CD1-CG2 4.5Å
114V97.7Very high96.8Very high37 Ų3769.1 Ų69.122%0.22437%0.369CS..Hα-helixtrans-88.7-12.8176.3-550000113.7R110 H111 V112 E122 V125R110-V114 WeakPolarHBondContact O-CG2 3.31Å; R110-V114 PolarHBondContact O-N 3.32Å; H111-V114 WeakPolarHBondContact O-CG2 3.37Å; V112-V114 VanDerWaalsContact C-N 3.32Å; V112-V114 PolarHBondContact O-N 3.08Å; V114-E122 HydrophobicContact CG1-CG 4.4Å; V114-V125 HydrophobicContact CG1-CB 4.28Å; V114-V125 HydrophobicContact CG1-CG2 3.68Å
115T96.1Very high96.8Very high51 Ų5169.1 Ų69.131%0.31337%0.369SS..Hα-helixtrans-115.3-36.8-173.759.60000115.2H111 V112 K119H111-T115 WeakPolarHBondContact O-CB 3.41Å; H111-T115 VanDerWaalsContact O-CG2 3.31Å; H111-T115 WeakPolarHBondContact O-CG2 3.28Å; H111-T115 PolarHBondContact O-N 2.92Å; H111-T115 PolarHBondContact O-OG1 2.92Å; V112-T115 PolarHBondContact O-N 3.15Å; T115-K119 WeakPolarHBondContact O-CE 3.42Å
116L95.2Very high96.8Very high105 Ų10568.2 Ų68.255%0.5536%0.363SS..SBendtrans-103.8150.1-173.2-59.9-176.2000111.7V112V112-L116 HydrophobicContact CG1-CD1 4.24Å; V112-L116 PolarHBondContact O-N 3.4Å
117G95.2Very high96.7Very high76 Ų7675.2 Ų75.278%0.78440%0.397SS*.SBendtrans66.4-142.8177.500000113.8K119G117-K119 PolarHBondContact O-N 3.41Å
118E95.4Very high96.6Very high85 Ų8574.5 Ų74.540%0.39739%0.385SS..SBendtrans-78.298.5169.1-66.3-168.8161.400109N45 A46 M120N45-E118 WeakPolarHBondContact CB-OE2 3.41Å; N45-E118 PolarHBondContact N-OE1 2.91Å; N45-E118 PolarHBondContact N-OE2 3.43Å; N45-E118 PolarHBondContact ND2-OE2 3.18Å; A46-E118 WeakPolarHBondContact CB-OE1 3.44Å; A46-E118 PolarHBondContact N-OE1 2.99Å; E118-M120 PolarHBondContact O-N 3.46Å
119K97.1Very high96.6Very high144 Ų14472.3 Ų72.363%0.62637%0.374SS*.PPolyproline II helixtrans-61133.6-171.8-58.1175.6-175.9-179.40111.7T115 G117T115-K119 WeakPolarHBondContact O-CE 3.42Å; G117-K119 PolarHBondContact O-N 3.41Å
120M97.4Very high96.5Very high57 Ų5774.7 Ų74.728%0.28140%0.395SS..PPolyproline II helixtrans-89.3154.3167.9-63.2175.669.100110.2L113 E118 E124 V125 L128L113-M120 HydrophobicContact CB-SD 4.29Å; L113-M120 HydrophobicContact CD1-SD 4.49Å; L113-M120 HydrophobicContact CD2-SD 4.3Å; L113-M120 PolarHBondContact O-N 3.46Å; E118-M120 PolarHBondContact O-N 3.46Å; M120-E124 HydrophobicContact CB-CB 4.25Å; M120-E124 HydrophobicContact CE-CB 3.7Å; M120-V125 HydrophobicContact CB-CG2 3.53Å; M120-V125 HydrophobicContact CE-CG2 4.26Å; M120-V125 HydrophobicContact CG-CG2 4.43Å; M120-V125 HydrophobicContact SD-CG2 4.18Å; M120-L128 HydrophobicContact CE-CD2 4.24Å
121T97.5Very high96.3Very high69 Ų6976.4 Ų76.442%0.42343%0.426SS..PPolyproline II helixtrans-70.7157.4167.959.60000110.7E123 E124 V125T121-E123 PolarHBondContact O-N 3.23Å; T121-E124 WeakPolarHBondContact CB-OE2 3.45Å; T121-E124 PolarHBondContact N-OE2 2.77Å; T121-E124 PolarHBondContact O-N 2.95Å; T121-E124 WeakPolarHBondContact OG1-CB 3.37Å; T121-E124 WeakPolarHBondContact OG1-CG 3.42Å; T121-E124 PolarHBondContact OG1-N 2.98Å; T121-E124 PolarHBondContact OG1-OE2 2.81Å; T121-V125 WeakPolarHBondContact O-CG2 3.31Å; T121-V125 PolarHBondContact O-N 3.42Å
122E97.4Very high96.4Very high151 Ų15173.2 Ų73.271%0.70641%0.412SS*.Hα-helixtrans-59.3-36.3177.5-67.8-173.8-178.800111.1V114 V125 E126V114-E122 HydrophobicContact CG1-CG 4.4Å; E122-V125 PolarHBondContact O-N 3.33Å; E122-E126 WeakPolarHBondContact O-CB 3.41Å; E122-E126 PolarHBondContact O-N 2.98Å
123E97.8Very high96.4Very high130 Ų13075.9 Ų75.961%0.60742%0.422SS*.Hα-helixtrans-65.4-45.1177.1-63.279.9-176.300112.4T121 V125 E126 M127T121-E123 PolarHBondContact O-N 3.23Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.43Å; E123-E126 PolarHBondContact O-N 3.18Å; E123-M127 WeakPolarHBondContact O-CG 3.4Å; E123-M127 PolarHBondContact O-N 3.37Å
124E96.9Very high96.3Very high86 Ų8677.3 Ų77.340%0.40243%0.43SS..Hα-helixtrans-62.4-41.1175.8-74164.4145.600111.8M120 T121 M127 L128M120-E124 HydrophobicContact CB-CB 4.25Å; M120-E124 HydrophobicContact CE-CB 3.7Å; T121-E124 WeakPolarHBondContact CB-OE2 3.45Å; T121-E124 PolarHBondContact N-OE2 2.77Å; T121-E124 PolarHBondContact O-N 2.95Å; T121-E124 WeakPolarHBondContact OG1-CB 3.37Å; T121-E124 WeakPolarHBondContact OG1-CG 3.42Å; T121-E124 PolarHBondContact OG1-N 2.98Å; T121-E124 PolarHBondContact OG1-OE2 2.81Å; E124-M127 HydrophobicContact CB-CE 4.49Å; E124-M127 HydrophobicContact CG-CE 4.23Å; E124-M127 PolarHBondContact O-N 2.86Å; E124-L128 PolarHBondContact O-N 2.82Å; E124-L128 VanDerWaalsContact O-N 3.11Å
125V97.5Very high96.2Very high3 Ų381.4 Ų81.42%0.01846%0.46CS..Hα-helixtrans-67.1-38.7176.81730000111.3R110 L113 V114 M120 T121 E122 E123 L128 V129R110-V125 HydrophobicContact CB-CG1 4.02Å; R110-V125 HydrophobicContact CG-CG1 3.78Å; R110-V125 PolarHBondContact NH1-O 3.02Å; L113-V125 HydrophobicContact CB-CG1 4.4Å; L113-V125 HydrophobicContact CB-CG2 3.62Å; L113-V125 HydrophobicContact CD1-CG1 4.27Å; L113-V125 HydrophobicContact CD1-CG2 4.35Å; V114-V125 HydrophobicContact CG1-CB 4.28Å; V114-V125 HydrophobicContact CG1-CG2 3.68Å; M120-V125 HydrophobicContact CB-CG2 3.53Å; M120-V125 HydrophobicContact CE-CG2 4.26Å; M120-V125 HydrophobicContact CG-CG2 4.43Å; M120-V125 HydrophobicContact SD-CG2 4.18Å; T121-V125 WeakPolarHBondContact O-CG2 3.31Å; T121-V125 PolarHBondContact O-N 3.42Å; E122-V125 PolarHBondContact O-N 3.33Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.43Å; V125-L128 PolarHBondContact O-N 3.31Å; V125-V129 HydrophobicContact CG1-CG2 4.13Å; V125-V129 WeakPolarHBondContact O-CB 3.49Å; V125-V129 WeakPolarHBondContact O-CG2 3.48Å; V125-V129 PolarHBondContact O-N 3.12Å
126E97Very high96.2Very high93 Ų9385 Ų8544%0.43548%0.478SS..Hα-helixtrans-62.7-44.8175.7-166.756.9-125.900111.7R110 E122 E123 L128 V129 A130R110-E126 IonicContact CZ-OE1 3.53Å; R110-E126 IonicContact CZ-OE2 3.8Å; R110-E126 IonicContact NE-OE2 2.77Å; R110-E126 IonicContact NH1-OE1 3.17Å; R110-E126 IonicContact NH1-OE2 2.82Å; R110-E126 PolarHBondContact NH1-OE2 3.25Å; R110-E126 VanDerWaalsContact NH2-CD 3.32Å; R110-E126 IonicContact NH2-OE1 3.59Å; R110-E126 PolarHBondContact NH2-OE1 3.04Å; R110-E126 IonicContact NH2-OE2 2.7Å; R110-E126 PolarHBondContact NH2-OE2 3.43Å; R110-E126 VanDerWaalsContact NH2-OE2 3.12Å; E122-E126 WeakPolarHBondContact O-CB 3.41Å; E122-E126 PolarHBondContact O-N 2.98Å; E123-E126 PolarHBondContact O-N 3.18Å; E126-L128 PolarHBondContact O-N 3.49Å; E126-V129 PolarHBondContact O-N 2.95Å; E126-A130 WeakPolarHBondContact O-CB 3.43Å; E126-A130 PolarHBondContact O-N 3.29Å
127M95.4Very high96.2Very high146 Ų14681.1 Ų81.172%0.71946%0.463SS*.Hα-helixtrans-60.2-34.3175.6-70.3-173.5-66.200112.8E123 E124E123-M127 WeakPolarHBondContact O-CG 3.4Å; E123-M127 PolarHBondContact O-N 3.37Å; E124-M127 HydrophobicContact CB-CE 4.49Å; E124-M127 HydrophobicContact CG-CE 4.23Å; E124-M127 PolarHBondContact O-N 2.86Å
128L95Very high96.3Very high50 Ų5078.8 Ų78.826%0.26244%0.435SS..Hα-helixtrans-76.8-42.1-179.1-173.269.5000112.8L113 M120 E124 V125 E126 H132 F144 I148L113-L128 HydrophobicContact CD1-CD2 3.85Å; M120-L128 HydrophobicContact CE-CD2 4.24Å; E124-L128 PolarHBondContact O-N 2.82Å; E124-L128 VanDerWaalsContact O-N 3.11Å; V125-L128 PolarHBondContact O-N 3.31Å; E126-L128 PolarHBondContact O-N 3.49Å; L128-H132 PolarHBondContact O-CD2 3.41Å; L128-F144 HydrophobicContact CD2-CZ 3.88Å; L128-F144 HydrophobicContact CG-CE2 4.23Å; L128-F144 HydrophobicContact CG-CZ 3.79Å; L128-F144 WeakPolarHBondContact O-CE2 3.39Å; L128-I148 HydrophobicContact CD1-CD1 4.01Å; L128-I148 HydrophobicContact CD1-CG1 3.98Å; L128-I148 HydrophobicContact CD2-CD1 4.19Å; L128-I148 HydrophobicContact CG-CD1 4.34Å
129V95.5Very high96.5Very high0 Ų074.8 Ų74.80%042%0.416CS..Hα-helixtrans-91.3-24.8-169.4174.20000112.5I109 R110 L113 V125 E126 G131 H132 E133 I139 F144I109-V129 HydrophobicContact CG2-CG2 4.25Å; R110-V129 HydrophobicContact CG-CG2 4.45Å; R110-V129 VanDerWaalsContact CZ-CG1 3.47Å; L113-V129 HydrophobicContact CD1-CG2 4.5Å; V125-V129 HydrophobicContact CG1-CG2 4.13Å; V125-V129 WeakPolarHBondContact O-CB 3.49Å; V125-V129 WeakPolarHBondContact O-CG2 3.48Å; V125-V129 PolarHBondContact O-N 3.12Å; E126-V129 PolarHBondContact O-N 2.95Å; V129-G131 PolarHBondContact O-N 3.37Å; V129-H132 WeakPolarHBondContact O-CB 3.37Å; V129-H132 PolarHBondContact O-N 3.3Å; V129-H132 VanDerWaalsContact O-N 3.12Å; V129-E133 HydrophobicContact CG1-CG 4.42Å; V129-I139 HydrophobicContact CG1-CD1 3.39Å; V129-F144 HydrophobicContact CG2-CZ 4.12Å
130A93.5Very high96.5Very high54 Ų5471.4 Ų71.445%0.44641%0.405SS..THydrogen-bonded Turntrans-54.8127.6-178.300000112.1E126E126-A130 WeakPolarHBondContact O-CB 3.43Å; E126-A130 PolarHBondContact O-N 3.29Å
131G95.2Very high96.5Very high81 Ų8169.1 Ų69.184%0.83539%0.393SS*.THydrogen-bonded Turntrans88.9-3.1179.200000115.6V129V129-G131 PolarHBondContact O-N 3.37Å
132H97.2Very high96.5Very high53 Ų5369 Ų6925%0.24539%0.388CS..  trans-97.5-13.3176.1-68.3-73.8000114.5L128 V129 I139 F144 H147L128-H132 PolarHBondContact O-CD2 3.41Å; V129-H132 WeakPolarHBondContact O-CB 3.37Å; V129-H132 PolarHBondContact O-N 3.3Å; V129-H132 VanDerWaalsContact O-N 3.12Å; H132-I139 HydrophobicContact CB-CG1 4.44Å; H132-I139 HydrophobicContact CB-CG2 4.23Å; H132-F144 HydrophobicContact CB-CD2 4.12Å; H132-F144 AromaticContact CD2-CD2 3.83Å; H132-F144 AromaticContact CD2-CE2 3.83Å; H132-F144 AromaticContact CG-CD2 3.71Å; H132-H147 AromaticContact CE1-CD2 3.27Å; H132-H147 PolarHBondContact CE1-CD2 3.12Å; H132-H147 AromaticContact CE1-CG 3.46Å; H132-H147 VanDerWaalsContact CE1-CG 3.46Å; H132-H147 AromaticContact CE1-NE2 3.84Å; H132-H147 AromaticContact NE2-CD2 3.17Å; H132-H147 PolarHBondContact NE2-CD2 2.67Å; H132-H147 AromaticContact NE2-CG 3.86Å; H132-H147 AromaticContact NE2-NE2 3.56Å
133E96.7Very high96.5Very high78 Ų7864 Ų6436%0.36437%0.372SS..BIsolated β-bridgetrans-75.9135.3177.6-70.1176.6131.800111.3G106 R110 V129 C138 I139G106-E133 WeakPolarHBondContact CA-OE1 3.5Å; R110-E133 IonicContact NH2-OE2 3.34Å; V129-E133 HydrophobicContact CG1-CG 4.42Å; E133-C138 CarbonylContact C-O 3.58Å; E133-C138 WeakPolarHBondContact CA-O 3.24Å; E133-I139 HydrophobicContact CG-CD1 3.92Å; E133-I139 HydrophobicContact CG-CG1 3.69Å
134D96.5Very high96.5Very high75 Ų7558 Ų5840%0.40135%0.345SS..  trans-77.5-175.9170.1756.8000111.9N136 G137 C138D134-N136 PolarHBondContact O-N 3.26Å; D134-N136 VanDerWaalsContact OD1-CA 3.31Å; D134-N136 WeakPolarHBondContact OD1-CA 3.48Å; D134-N136 WeakPolarHBondContact OD1-CB 3.2Å; D134-N136 PolarHBondContact OD1-N 2.88Å; D134-G137 PolarHBondContact O-N 3.09Å; D134-G137 PolarHBondContact OD1-N 2.78Å; D134-G137 VanDerWaalsContact OD1-N 3.11Å; D134-C138 PolarHBondContact N-O 3.18Å; D134-C138 PolarHBondContact OD1-N 3.44Å
135S95.4Very high96.5Very high122 Ų12254.2 Ų54.285%0.85333%0.327SS*.THydrogen-bonded Turntrans-62.4-14.3179.456.30000114.8
136N95.1Very high96.5Very high127 Ų12761 Ų6168%0.67935%0.352SS*.THydrogen-bonded Turntrans-101.8-0.1178.4-56.1-41000112.3D134D134-N136 PolarHBondContact O-N 3.26Å; D134-N136 VanDerWaalsContact OD1-CA 3.31Å; D134-N136 WeakPolarHBondContact OD1-CA 3.48Å; D134-N136 WeakPolarHBondContact OD1-CB 3.2Å; D134-N136 PolarHBondContact OD1-N 2.88Å
137G96.2Very high96.5Very high24 Ų2461.4 Ų61.425%0.24735%0.354CS..SBendtrans76.922.6-174.200000113.2G106 D134G106-G137 PolarHBondContact N-O 3.25Å; D134-G137 PolarHBondContact O-N 3.09Å; D134-G137 PolarHBondContact OD1-N 2.78Å; D134-G137 VanDerWaalsContact OD1-N 3.11Å
138C97.5Very high96.5Very high27 Ų2757.9 Ų57.918%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-101.2147.7176.7-67.50000110.9E133 D134E133-C138 CarbonylContact C-O 3.58Å; E133-C138 WeakPolarHBondContact CA-O 3.24Å; D134-C138 PolarHBondContact N-O 3.18Å; D134-C138 PolarHBondContact OD1-N 3.44Å
139I98.2Very high96.4Very high1 Ų159.5 Ų59.51%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-116.1127.7179.8-62.7172.4000108.5T103 V104 I109 V129 H132 E133 Y141 F144T103-I139 CarbonylContact C-O 3.47Å; T103-I139 WeakPolarHBondContact CA-O 3.06Å; T103-I139 WeakPolarHBondContact CB-O 3.5Å; V104-I139 PolarHBondContact N-O 2.95Å; V104-I139 PolarHBondContact O-N 3.46Å; I109-I139 HydrophobicContact CD1-CB 3.96Å; I109-I139 HydrophobicContact CD1-CD1 3.97Å; I109-I139 HydrophobicContact CD1-CG2 3.99Å; V129-I139 HydrophobicContact CG1-CD1 3.39Å; H132-I139 HydrophobicContact CB-CG1 4.44Å; H132-I139 HydrophobicContact CB-CG2 4.23Å; E133-I139 HydrophobicContact CG-CD1 3.92Å; E133-I139 HydrophobicContact CG-CG1 3.69Å; I139-Y141 PolarHBondContact O-N 3.3Å; I139-F144 HydrophobicContact CG2-CB 3.82Å; I139-F144 HydrophobicContact CG2-CD2 4.3Å; I139-F144 HydrophobicContact CG2-CG 4.03Å
140N98.1Very high96.2Very high73 Ų7363.8 Ų63.839%0.3938%0.376SS..EExtended strand (participates in β ladder)trans-72.5105.2167.3-177-76000109.1G102 E142 A143 F144G102-N140 WeakPolarHBondContact O-CA 3.49Å; G102-N140 PolarHBondContact O-ND2 3.3Å; N140-E142 VanDerWaalsContact C-N 3.31Å; N140-E142 PolarHBondContact O-N 3.05Å; N140-E142 PolarHBondContact OD1-N 3.16Å; N140-A143 HydrophobicContact CB-CB 4.13Å; N140-A143 PolarHBondContact O-N 3.01Å; N140-A143 VanDerWaalsContact OD1-CB 3.3Å; N140-A143 WeakPolarHBondContact OD1-CB 3.46Å; N140-A143 PolarHBondContact OD1-N 3.5Å; N140-F144 WeakPolarHBondContact O-CB 3.44Å; N140-F144 PolarHBondContact O-N 3.37Å
141Y97.3Very high95.6Very high9 Ų967 Ų674%0.03541%0.414CS..Hα-helixtrans-69.3-28.2-170.557.7-102.1000112.9V90 L93 R94 D97 G102 V104 I139 F144 V145V90-Y141 HydrophobicContact CG1-CD2 4.25Å; V90-Y141 HydrophobicContact CG1-CE2 3.87Å; L93-Y141 HydrophobicContact CB-CD2 4.31Å; L93-Y141 HydrophobicContact CB-CG 4.1Å; R94-Y141 HydrophobicContact CB-CE2 4.48Å; D97-Y141 HydrophobicContact CB-CE1 3.78Å; G102-Y141 VanDerWaalsContact CA-CE1 3.47Å; G102-Y141 WeakPolarHBondContact O-CD1 3.3Å; G102-Y141 WeakPolarHBondContact O-CE1 3.39Å; G102-Y141 PolarHBondContact O-N 2.91Å; V104-Y141 HydrophobicContact CG2-CD1 3.85Å; V104-Y141 HydrophobicContact CG2-CE1 4.45Å; I139-Y141 PolarHBondContact O-N 3.3Å; Y141-F144 PolarHBondContact O-N 2.99Å; Y141-V145 VanDerWaalsContact O-CG2 3.24Å; Y141-V145 WeakPolarHBondContact O-CG2 3.26Å; Y141-V145 PolarHBondContact O-N 2.87Å
142E97.7Very high95.6Very high65 Ų6566.3 Ų66.330%0.30439%0.393SS..Hα-helixtrans-66.3-47.2174-72.7-169.9-159.900111.6Y86 V90 N140 F144 V145 R146Y86-E142 WeakPolarHBondContact OH-CB 3.44Å; V90-E142 HydrophobicContact CG1-CG 4.06Å; V90-E142 HydrophobicContact CG2-CG 4.2Å; N140-E142 VanDerWaalsContact C-N 3.31Å; N140-E142 PolarHBondContact O-N 3.05Å; N140-E142 PolarHBondContact OD1-N 3.16Å; E142-F144 VanDerWaalsContact C-N 3.29Å; E142-F144 PolarHBondContact O-N 2.67Å; E142-V145 PolarHBondContact O-N 3.43Å; E142-R146 WeakPolarHBondContact O-CG 3.35Å; E142-R146 PolarHBondContact O-N 2.8Å; E142-R146 IonicContact OE2-NH2 3.93Å
143A97.3Very high95.5Very high47 Ų4766.9 Ų66.939%0.38840%0.4SS..Hα-helixtrans-63.3-38.2175.900000111.5N140 R146 H147N140-A143 HydrophobicContact CB-CB 4.13Å; N140-A143 PolarHBondContact O-N 3.01Å; N140-A143 VanDerWaalsContact OD1-CB 3.3Å; N140-A143 WeakPolarHBondContact OD1-CB 3.46Å; N140-A143 PolarHBondContact OD1-N 3.5Å; A143-R146 PolarHBondContact O-N 3.45Å; A143-H147 WeakPolarHBondContact O-CB 3.39Å; A143-H147 PolarHBondContact O-N 2.94Å
144F97.3Very high95.5Very high5 Ų566.3 Ų66.32%0.02240%0.402CS..Hα-helixtrans-63.2-48.2175.9-174.1-117.7000112.2L93 I109 L128 V129 H132 I139 N140 Y141 E142 R146 H147 I148L93-F144 HydrophobicContact CD1-CD1 4.23Å; I109-F144 HydrophobicContact CG2-CE1 4.31Å; L128-F144 HydrophobicContact CD2-CZ 3.88Å; L128-F144 HydrophobicContact CG-CE2 4.23Å; L128-F144 HydrophobicContact CG-CZ 3.79Å; L128-F144 WeakPolarHBondContact O-CE2 3.39Å; V129-F144 HydrophobicContact CG2-CZ 4.12Å; H132-F144 HydrophobicContact CB-CD2 4.12Å; H132-F144 AromaticContact CD2-CD2 3.83Å; H132-F144 AromaticContact CD2-CE2 3.83Å; H132-F144 AromaticContact CG-CD2 3.71Å; I139-F144 HydrophobicContact CG2-CB 3.82Å; I139-F144 HydrophobicContact CG2-CD2 4.3Å; I139-F144 HydrophobicContact CG2-CG 4.03Å; N140-F144 WeakPolarHBondContact O-CB 3.44Å; N140-F144 PolarHBondContact O-N 3.37Å; Y141-F144 PolarHBondContact O-N 2.99Å; E142-F144 VanDerWaalsContact C-N 3.29Å; E142-F144 PolarHBondContact O-N 2.67Å; F144-R146 VanDerWaalsContact C-N 3.34Å; F144-R146 PolarHBondContact O-N 3.43Å; F144-H147 WeakPolarHBondContact O-CB 3.39Å; F144-H147 PolarHBondContact O-N 2.9Å; F144-H147 VanDerWaalsContact O-N 3.15Å; F144-I148 HydrophobicContact CD1-CD1 3.79Å; F144-I148 HydrophobicContact CD2-CD1 4.34Å; F144-I148 HydrophobicContact CE1-CD1 3.43Å; F144-I148 VanDerWaalsContact CE1-CD1 3.43Å; F144-I148 HydrophobicContact CE2-CD1 4.02Å; F144-I148 HydrophobicContact CG-CD1 4.25Å; F144-I148 HydrophobicContact CZ-CD1 3.58Å; F144-I148 WeakPolarHBondContact O-CG1 3.49Å; F144-I148 PolarHBondContact O-N 3.48Å
145V97.4Very high95.4Very high6 Ų665.8 Ų65.84%0.03640%0.402CS..Hα-helixtrans-61.2-43175.6172.50000111Y86 Y89 V90 L93 Y141 E142 H147 I148 L149Y86-V145 HydrophobicContact CD2-CB 4.44Å; Y86-V145 HydrophobicContact CD2-CG1 3.58Å; Y86-V145 HydrophobicContact CE2-CB 4.16Å; Y86-V145 HydrophobicContact CE2-CG1 3.8Å; Y89-V145 HydrophobicContact CG-CG1 4.39Å; V90-V145 HydrophobicContact CG2-CB 4.28Å; V90-V145 HydrophobicContact CG2-CG1 4.29Å; V90-V145 HydrophobicContact CG2-CG2 4.31Å; L93-V145 HydrophobicContact CD1-CG2 3.66Å; Y141-V145 VanDerWaalsContact O-CG2 3.24Å; Y141-V145 WeakPolarHBondContact O-CG2 3.26Å; Y141-V145 PolarHBondContact O-N 2.87Å; E142-V145 PolarHBondContact O-N 3.43Å; V145-H147 VanDerWaalsContact C-N 3.29Å; V145-H147 PolarHBondContact O-N 3.24Å; V145-I148 PolarHBondContact O-N 3.37Å; V145-L149 HydrophobicContact CG1-CD1 3.75Å; V145-L149 HydrophobicContact CG1-CG 4.25Å; V145-L149 WeakPolarHBondContact O-CB 3.4Å; V145-L149 WeakPolarHBondContact O-CG 3.48Å; V145-L149 PolarHBondContact O-N 3.34Å
146R97Very high95.4Very high144 Ų14462.3 Ų62.354%0.54337%0.374SS..Hα-helixtrans-59.5-41.5175-72.3-173.8-168.1130.912.7112Y86 E142 A143 F144 S150Y86-R146 HydrophobicContact CD2-CG 4.27Å; Y86-R146 HydrophobicContact CE2-CG 3.5Å; Y86-R146 VanDerWaalsContact CE2-CG 3.5Å; Y86-R146 PolarHBondContact OH-NE 3.43Å; Y86-R146 PolarHBondContact OH-NH2 3.21Å; Y86-R146 VanDerWaalsContact OH-NH2 3.12Å; E142-R146 WeakPolarHBondContact O-CG 3.35Å; E142-R146 PolarHBondContact O-N 2.8Å; E142-R146 IonicContact OE2-NH2 3.93Å; A143-R146 PolarHBondContact O-N 3.45Å; F144-R146 VanDerWaalsContact C-N 3.34Å; F144-R146 PolarHBondContact O-N 3.43Å; R146-S150 VanDerWaalsContact O-CB 3.26Å; R146-S150 WeakPolarHBondContact O-CB 3.42Å; R146-S150 PolarHBondContact O-N 2.97Å; R146-S150 PolarHBondContact O-OG 2.61Å
147H96.1Very high95.4Very high102 Ų10258 Ų5847%0.47235%0.354SS..Hα-helixtrans-61.4-50.4178179.866.6000111H132 A143 F144 V145 L149 S150H132-H147 AromaticContact CE1-CD2 3.27Å; H132-H147 PolarHBondContact CE1-CD2 3.12Å; H132-H147 AromaticContact CE1-CG 3.46Å; H132-H147 VanDerWaalsContact CE1-CG 3.46Å; H132-H147 AromaticContact CE1-NE2 3.84Å; H132-H147 AromaticContact NE2-CD2 3.17Å; H132-H147 PolarHBondContact NE2-CD2 2.67Å; H132-H147 AromaticContact NE2-CG 3.86Å; H132-H147 AromaticContact NE2-NE2 3.56Å; A143-H147 WeakPolarHBondContact O-CB 3.39Å; A143-H147 PolarHBondContact O-N 2.94Å; F144-H147 WeakPolarHBondContact O-CB 3.39Å; F144-H147 PolarHBondContact O-N 2.9Å; F144-H147 VanDerWaalsContact O-N 3.15Å; V145-H147 VanDerWaalsContact C-N 3.29Å; V145-H147 PolarHBondContact O-N 3.24Å; H147-L149 PolarHBondContact O-N 3.08Å; H147-S150 PolarHBondContact O-N 3.49Å; H147-S150 VanDerWaalsContact O-N 3.13Å; H147-S150 PolarHBondContact O-OG 2.8Å
148I95.4Very high95.4Very high72 Ų7260.4 Ų60.437%0.36936%0.361SS..Hα-helixtrans-61.1-44.8-179-66.9172.7000111.7L128 F144 V145 S150L128-I148 HydrophobicContact CD1-CD1 4.01Å; L128-I148 HydrophobicContact CD1-CG1 3.98Å; L128-I148 HydrophobicContact CD2-CD1 4.19Å; L128-I148 HydrophobicContact CG-CD1 4.34Å; F144-I148 HydrophobicContact CD1-CD1 3.79Å; F144-I148 HydrophobicContact CD2-CD1 4.34Å; F144-I148 HydrophobicContact CE1-CD1 3.43Å; F144-I148 VanDerWaalsContact CE1-CD1 3.43Å; F144-I148 HydrophobicContact CE2-CD1 4.02Å; F144-I148 HydrophobicContact CG-CD1 4.25Å; F144-I148 HydrophobicContact CZ-CD1 3.58Å; F144-I148 WeakPolarHBondContact O-CG1 3.49Å; F144-I148 PolarHBondContact O-N 3.48Å; V145-I148 PolarHBondContact O-N 3.37Å; I148-S150 PolarHBondContact O-N 3.5Å
149L94.1Very high95.2Very high85 Ų8563 Ų6345%0.44538%0.375SS..THydrogen-bonded Turntrans-74.4-6.9-179.4-65.2178.4000113.9Y86 Y89 V145 H147Y86-L149 HydrophobicContact CD2-CD1 4.17Å; Y89-L149 HydrophobicContact CD2-CD1 4.08Å; Y89-L149 HydrophobicContact CD2-CD2 4.24Å; Y89-L149 HydrophobicContact CE2-CD1 4.45Å; Y89-L149 HydrophobicContact CE2-CD2 3.88Å; V145-L149 HydrophobicContact CG1-CD1 3.75Å; V145-L149 HydrophobicContact CG1-CG 4.25Å; V145-L149 WeakPolarHBondContact O-CB 3.4Å; V145-L149 WeakPolarHBondContact O-CG 3.48Å; V145-L149 PolarHBondContact O-N 3.34Å; H147-L149 PolarHBondContact O-N 3.08Å
150S91.8Very high94.9Very high90 Ų9068.2 Ų68.263%0.62941%0.406SS*.THydrogen-bonded Turntrans-99.3-5.1-179.770.70000114.7R146 H147 I148R146-S150 VanDerWaalsContact O-CB 3.26Å; R146-S150 WeakPolarHBondContact O-CB 3.42Å; R146-S150 PolarHBondContact O-N 2.97Å; R146-S150 PolarHBondContact O-OG 2.61Å; H147-S150 PolarHBondContact O-N 3.49Å; H147-S150 VanDerWaalsContact O-N 3.13Å; H147-S150 PolarHBondContact O-OG 2.8Å; I148-S150 PolarHBondContact O-N 3.5Å
151G79.7Confident94.7Very high120 Ų12067.7 Ų67.7100%1.23741%0.407SS*.  trans-780175.300000111.9

Retrieved 151 of 151 residues in 31.8 ms (Link to these results)

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