A0A096MR13_PAPAN Loading...

EF-hand domain-containing protein

AlphaFold DB (A0A6J0E7E6), UniProt , Accession A0A096MR13, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, 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
1M51.9Low85.2Confident226 Ų22698.3 Ų98.3100%1.11352%0.518SS*.  0136.30-79.9173.1176.800106.9
2C62.9Low86.1Confident51 Ų5192.1 Ų92.135%0.34548%0.484SS..  trans-69.6134.1173.8-64.10000108.9F4 L71 Q75C2-F4 HydrophobicContact CB-CD2 4.47Å; C2-F4 PolarHBondContact O-N 2.75Å; C2-L71 HydrophobicContact CB-CD2 4.13Å; C2-L71 HydrophobicContact CB-CG 4.47Å; C2-Q75 VanDerWaalsContact CA-OE1 3.29Å
3D81.8Confident86.8Confident109 Ų10993 Ų9358%0.58348%0.481SS*.  trans-86.28.8-176.5-61.9-35.4000112.4Q75 K79D3-Q75 PolarHBondContact OD2-NE2 3.41Å; D3-K79 WeakPolarHBondContact OD2-CE 3.36Å; D3-K79 IonicContact OD2-NZ 3.78Å; D3-K79 PolarHBondContact OD2-NZ 3.08Å
4F88.6Confident87.3Confident38 Ų3895.9 Ų95.917%0.16749%0.492CS..SBendtrans-84.7144.4178.6-59.6-56.6000110.9C2 Q8 F12 L71 L74 Q75 A78C2-F4 HydrophobicContact CB-CD2 4.47Å; C2-F4 PolarHBondContact O-N 2.75Å; F4-Q8 HydrophobicContact CB-CB 4.2Å; F4-F12 HydrophobicContact CB-CE2 4.29Å; F4-F12 AromaticContact CD1-CE2 3.64Å; F4-F12 HydrophobicContact CD1-CE2 3.64Å; F4-F12 HydrophobicContact CD1-CZ 4.21Å; F4-F12 HydrophobicContact CD2-CD2 4.31Å; F4-F12 AromaticContact CD2-CE2 3.85Å; F4-F12 HydrophobicContact CD2-CE2 3.85Å; F4-F12 AromaticContact CE1-CE2 3.76Å; F4-F12 HydrophobicContact CE1-CE2 3.76Å; F4-F12 HydrophobicContact CE1-CZ 4.15Å; F4-F12 HydrophobicContact CE2-CD2 4.49Å; F4-F12 AromaticContact CE2-CE2 3.95Å; F4-F12 HydrophobicContact CE2-CE2 3.95Å; F4-F12 HydrophobicContact CG-CD2 4.42Å; F4-F12 AromaticContact CG-CE2 3.68Å; F4-F12 HydrophobicContact CG-CE2 3.68Å; F4-F12 AromaticContact CZ-CE2 3.9Å; F4-F12 HydrophobicContact CZ-CE2 3.9Å; F4-L71 HydrophobicContact CD2-CD1 3.67Å; F4-L71 HydrophobicContact CD2-CG 4.18Å; F4-L71 HydrophobicContact CE2-CD1 3.97Å; F4-L74 HydrophobicContact CE2-CD2 4.34Å; F4-L74 HydrophobicContact CE2-CG 4.42Å; F4-L74 HydrophobicContact CZ-CD2 4.37Å; F4-L74 HydrophobicContact CZ-CG 4.26Å; F4-Q75 HydrophobicContact CD2-CB 4.46Å; F4-Q75 HydrophobicContact CE2-CB 3.58Å; F4-Q75 HydrophobicContact CE2-CG 4.02Å; F4-Q75 HydrophobicContact CZ-CB 3.95Å; F4-Q75 HydrophobicContact CZ-CG 4.19Å; F4-A78 HydrophobicContact CZ-CB 4.25Å
5T91.7Very high87.8Confident76 Ų7690.8 Ų90.847%0.46647%0.469SS..  trans-68.3165172.767.70000110.8D7 Q8 T9T5-D7 VanDerWaalsContact C-N 3.28Å; T5-D7 PolarHBondContact O-N 3.36Å; T5-Q8 PolarHBondContact O-N 2.67Å; T5-Q8 VanDerWaalsContact OG1-CG 3.32Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.2Å; T5-Q8 PolarHBondContact OG1-N 3.48Å; T5-Q8 VanDerWaalsContact OG1-N 3.16Å; T5-Q8 PolarHBondContact OG1-OE1 2.95Å; T5-T9 WeakPolarHBondContact O-CB 3.29Å; T5-T9 PolarHBondContact O-N 3.32Å; T5-T9 PolarHBondContact O-OG1 2.74Å
6E91.9Very high88.3Confident175 Ų17585.3 Ų85.382%0.81844%0.441SS*.Hα-helixtrans-59.7-41.8174.6-67.7-176.5172.600111.3T9 A10E6-T9 PolarHBondContact O-N 3.16Å; E6-A10 PolarHBondContact O-N 3.13Å
7D92.8Very high88.7Confident124 Ų12486.6 Ų86.666%0.66345%0.445SS*.Hα-helixtrans-61.8-47.7177.1-62.4-25.7000111.7T5 T9 A10 E11T5-D7 VanDerWaalsContact C-N 3.28Å; T5-D7 PolarHBondContact O-N 3.36Å; D7-T9 VanDerWaalsContact C-N 3.29Å; D7-T9 PolarHBondContact O-N 3.36Å; D7-A10 WeakPolarHBondContact O-CB 3.26Å; D7-A10 PolarHBondContact O-N 3.04Å; D7-A10 VanDerWaalsContact O-N 3.16Å; D7-E11 PolarHBondContact O-N 3.11Å
8Q92.9Very high89.1Confident74 Ų7490.2 Ų90.235%0.34646%0.463SS..Hα-helixtrans-60.7-41.4175.8-74177.7-47.800111.6F4 T5 A10 E11 F12F4-Q8 HydrophobicContact CB-CB 4.2Å; T5-Q8 PolarHBondContact O-N 2.67Å; T5-Q8 VanDerWaalsContact OG1-CG 3.32Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.2Å; T5-Q8 PolarHBondContact OG1-N 3.48Å; T5-Q8 VanDerWaalsContact OG1-N 3.16Å; T5-Q8 PolarHBondContact OG1-OE1 2.95Å; Q8-A10 VanDerWaalsContact C-N 3.28Å; Q8-A10 PolarHBondContact O-N 3.14Å; Q8-E11 PolarHBondContact O-N 3.38Å; Q8-F12 HydrophobicContact CB-CE2 4.12Å; Q8-F12 HydrophobicContact CB-CZ 4.19Å; Q8-F12 WeakPolarHBondContact O-CB 3.36Å; Q8-F12 WeakPolarHBondContact O-CD1 3.42Å; Q8-F12 VanDerWaalsContact O-CD2 3.24Å; Q8-F12 WeakPolarHBondContact O-CD2 3.42Å; Q8-F12 WeakPolarHBondContact O-CG 3.26Å; Q8-F12 PolarHBondContact O-N 3.42Å
9T94.3Very high89.3Confident37 Ų3788.2 Ų88.223%0.22745%0.451CS..Hα-helixtrans-64.4-36.6178.6-56.20000111.2T5 E6 D7 K13 F67 L71T5-T9 WeakPolarHBondContact O-CB 3.29Å; T5-T9 PolarHBondContact O-N 3.32Å; T5-T9 PolarHBondContact O-OG1 2.74Å; E6-T9 PolarHBondContact O-N 3.16Å; D7-T9 VanDerWaalsContact C-N 3.29Å; D7-T9 PolarHBondContact O-N 3.36Å; T9-K13 WeakPolarHBondContact O-CB 3.41Å; T9-K13 PolarHBondContact O-N 3.08Å; T9-F67 HydrophobicContact CG2-CE1 3.86Å; T9-F67 HydrophobicContact CG2-CZ 4.08Å; T9-F67 WeakPolarHBondContact O-CZ 3.3Å; T9-L71 HydrophobicContact CG2-CD2 3.88Å
10A94Very high89.6Confident48 Ų4884.9 Ų84.940%0.39744%0.435SS..Hα-helixtrans-65.7-47.9174.600000111.6E6 D7 Q8 F12 K13 E14E6-A10 PolarHBondContact O-N 3.13Å; D7-A10 WeakPolarHBondContact O-CB 3.26Å; D7-A10 PolarHBondContact O-N 3.04Å; D7-A10 VanDerWaalsContact O-N 3.16Å; Q8-A10 VanDerWaalsContact C-N 3.28Å; Q8-A10 PolarHBondContact O-N 3.14Å; A10-F12 VanDerWaalsContact C-N 3.32Å; A10-F12 PolarHBondContact O-N 2.95Å; A10-K13 WeakPolarHBondContact O-CB 3.44Å; A10-K13 PolarHBondContact O-N 3.33Å; A10-K13 VanDerWaalsContact O-N 3.09Å; A10-E14 PolarHBondContact O-N 3.32Å
11E94.4Very high89.5Confident123 Ų12391.3 Ų91.358%0.57545%0.453SS*.Hα-helixtrans-57.8-44175.6-71.2178178.200111.8D7 Q8 K13 E14 A15D7-E11 PolarHBondContact O-N 3.11Å; Q8-E11 PolarHBondContact O-N 3.38Å; E11-K13 VanDerWaalsContact C-N 3.28Å; E11-K13 PolarHBondContact O-N 3.34Å; E11-E14 PolarHBondContact O-N 2.94Å; E11-A15 PolarHBondContact O-N 3.45Å
12F95.7Very high91.3Very high24 Ų2485.9 Ų85.911%0.10543%0.433CS..Hα-helixtrans-63.4-35.9177.1-61.1-19.7000112.5F4 Q8 A10 F16 L39 F67 L71 L74F4-F12 HydrophobicContact CB-CE2 4.29Å; F4-F12 AromaticContact CD1-CE2 3.64Å; F4-F12 HydrophobicContact CD1-CE2 3.64Å; F4-F12 HydrophobicContact CD1-CZ 4.21Å; F4-F12 HydrophobicContact CD2-CD2 4.31Å; F4-F12 AromaticContact CD2-CE2 3.85Å; F4-F12 HydrophobicContact CD2-CE2 3.85Å; F4-F12 AromaticContact CE1-CE2 3.76Å; F4-F12 HydrophobicContact CE1-CE2 3.76Å; F4-F12 HydrophobicContact CE1-CZ 4.15Å; F4-F12 HydrophobicContact CE2-CD2 4.49Å; F4-F12 AromaticContact CE2-CE2 3.95Å; F4-F12 HydrophobicContact CE2-CE2 3.95Å; F4-F12 HydrophobicContact CG-CD2 4.42Å; F4-F12 AromaticContact CG-CE2 3.68Å; F4-F12 HydrophobicContact CG-CE2 3.68Å; F4-F12 AromaticContact CZ-CE2 3.9Å; F4-F12 HydrophobicContact CZ-CE2 3.9Å; Q8-F12 HydrophobicContact CB-CE2 4.12Å; Q8-F12 HydrophobicContact CB-CZ 4.19Å; Q8-F12 WeakPolarHBondContact O-CB 3.36Å; Q8-F12 WeakPolarHBondContact O-CD1 3.42Å; Q8-F12 VanDerWaalsContact O-CD2 3.24Å; Q8-F12 WeakPolarHBondContact O-CD2 3.42Å; Q8-F12 WeakPolarHBondContact O-CG 3.26Å; Q8-F12 PolarHBondContact O-N 3.42Å; A10-F12 VanDerWaalsContact C-N 3.32Å; A10-F12 PolarHBondContact O-N 2.95Å; F12-F16 VanDerWaalsContact O-CB 3.26Å; F12-F16 WeakPolarHBondContact O-CB 3.37Å; F12-F16 PolarHBondContact O-N 3.39Å; F12-L39 HydrophobicContact CB-CD1 4.1Å; F12-L39 HydrophobicContact CD1-CD1 3.92Å; F12-L39 HydrophobicContact CD1-CD2 3.57Å; F12-L39 HydrophobicContact CD1-CG 4.24Å; F12-L39 HydrophobicContact CE1-CD2 4.22Å; F12-L39 HydrophobicContact CG-CD1 4.11Å; F12-L39 HydrophobicContact CG-CD2 4.43Å; F12-F67 HydrophobicContact CB-CE2 3.95Å; F12-F67 HydrophobicContact CB-CZ 4Å; F12-L71 HydrophobicContact CD2-CD1 3.84Å; F12-L74 HydrophobicContact CB-CD2 4.49Å; F12-L74 HydrophobicContact CD1-CD2 4.32Å; F12-L74 HydrophobicContact CD2-CD2 3.59Å; F12-L74 HydrophobicContact CE1-CD2 4.45Å; F12-L74 HydrophobicContact CE2-CD2 3.76Å; F12-L74 HydrophobicContact CG-CD2 3.88Å; F12-L74 HydrophobicContact CZ-CD2 4.19Å
13K95.2Very high92.7Very high104 Ų10486.7 Ų86.745%0.45245%0.45SS..Hα-helixtrans-69-41177.3-170174.8-177.2176.10111.5T9 A10 E11 F16 Q17 F67T9-K13 WeakPolarHBondContact O-CB 3.41Å; T9-K13 PolarHBondContact O-N 3.08Å; A10-K13 WeakPolarHBondContact O-CB 3.44Å; A10-K13 PolarHBondContact O-N 3.33Å; A10-K13 VanDerWaalsContact O-N 3.09Å; E11-K13 VanDerWaalsContact C-N 3.28Å; E11-K13 PolarHBondContact O-N 3.34Å; K13-F16 PolarHBondContact O-N 2.92Å; K13-Q17 VanDerWaalsContact O-CG 3.3Å; K13-Q17 WeakPolarHBondContact O-CG 3.34Å; K13-Q17 PolarHBondContact O-N 3.37Å; K13-F67 VanDerWaalsContact CA-CE2 3.46Å; K13-F67 HydrophobicContact CB-CD1 4.35Å; K13-F67 HydrophobicContact CB-CD2 4.33Å; K13-F67 HydrophobicContact CB-CE1 3.93Å; K13-F67 HydrophobicContact CB-CE2 3.92Å; K13-F67 HydrophobicContact CB-CZ 3.69Å; K13-F67 HydrophobicContact CD-CD1 4.34Å; K13-F67 HydrophobicContact CD-CE1 4.4Å; K13-F67 HydrophobicContact CG-CD1 4.2Å; K13-F67 HydrophobicContact CG-CD2 4.42Å; K13-F67 HydrophobicContact CG-CE1 4.26Å; K13-F67 HydrophobicContact CG-CE2 4.49Å; K13-F67 HydrophobicContact CG-CG 4.27Å; K13-F67 HydrophobicContact CG-CZ 4.4Å
14E94.4Very high93.3Very high134 Ų13485.7 Ų85.763%0.62645%0.445SS*.Hα-helixtrans-62.3-47.2175.3-71-177.5178.600111.1A10 E11 F16 Q17 L18A10-E14 PolarHBondContact O-N 3.32Å; E11-E14 PolarHBondContact O-N 2.94Å; E14-F16 PolarHBondContact O-N 2.98Å; E14-Q17 PolarHBondContact O-N 3.22Å; E14-L18 PolarHBondContact O-N 3.05Å
15A94.5Very high93.6Very high19 Ų1985.4 Ų85.416%0.15745%0.453CS..Hα-helixtrans-60.7-44.5175.500000111.9E11 Q17 L18 F19 L39E11-A15 PolarHBondContact O-N 3.45Å; A15-Q17 VanDerWaalsContact C-N 3.27Å; A15-Q17 PolarHBondContact O-N 3.02Å; A15-L18 WeakPolarHBondContact O-CB 3.44Å; A15-L18 PolarHBondContact O-N 3.39Å; A15-L18 VanDerWaalsContact O-N 3.08Å; A15-F19 WeakPolarHBondContact O-CD2 3.49Å; A15-L39 HydrophobicContact CB-CD2 3.42Å; A15-L39 VanDerWaalsContact CB-CD2 3.42Å; A15-L39 HydrophobicContact CB-CG 4.24Å
16F96.1Very high93.8Very high3 Ų385.6 Ų85.61%0.01345%0.447CS..Hα-helixtrans-57.6-40.3176.8-176.3-82.9000112.1F12 K13 E14 L18 F19 D20 I27 V35 L65 F67 F70F12-F16 VanDerWaalsContact O-CB 3.26Å; F12-F16 WeakPolarHBondContact O-CB 3.37Å; F12-F16 PolarHBondContact O-N 3.39Å; K13-F16 PolarHBondContact O-N 2.92Å; E14-F16 PolarHBondContact O-N 2.98Å; F16-L18 VanDerWaalsContact C-N 3.26Å; F16-L18 PolarHBondContact O-N 3.28Å; F16-F19 PolarHBondContact O-N 3.34Å; F16-F19 VanDerWaalsContact O-N 3.11Å; F16-D20 PolarHBondContact O-N 3.42Å; F16-I27 HydrophobicContact CD1-CG2 4.34Å; F16-I27 HydrophobicContact CD2-CD1 4Å; F16-I27 HydrophobicContact CD2-CG2 4.47Å; F16-I27 HydrophobicContact CE1-CG2 3.91Å; F16-I27 HydrophobicContact CE2-CB 4.43Å; 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 4.07Å; F16-I27 HydrophobicContact CZ-CB 4.19Å; F16-I27 HydrophobicContact CZ-CD1 4.04Å; F16-I27 HydrophobicContact CZ-CG1 3.67Å; F16-I27 HydrophobicContact CZ-CG2 3.77Å; F16-V35 HydrophobicContact CD2-CG1 4.33Å; F16-L65 WeakPolarHBondContact CZ-O 3.26Å; F16-F67 HydrophobicContact CB-CD2 3.86Å; F16-F67 HydrophobicContact CB-CE2 4.28Å; F16-F67 HydrophobicContact CD1-CB 4.32Å; F16-F67 HydrophobicContact CD1-CD2 4.35Å; F16-F67 HydrophobicContact CD2-CD2 4.01Å; F16-F67 HydrophobicContact CE1-CB 4.3Å; F16-F67 AromaticContact CG-CD2 3.83Å; F16-F67 HydrophobicContact CG-CD2 3.83Å; F16-F67 HydrophobicContact CZ-CB 4.49Å; F16-F70 HydrophobicContact CD2-CB 4.25Å; F16-F70 AromaticContact CD2-CD1 3.82Å; F16-F70 HydrophobicContact CD2-CD1 3.82Å; F16-F70 HydrophobicContact CD2-CD2 4.47Å; F16-F70 HydrophobicContact CD2-CE1 4.28Å; F16-F70 AromaticContact CD2-CG 3.93Å; F16-F70 HydrophobicContact CD2-CG 3.93Å; F16-F70 HydrophobicContact CE2-CB 3.79Å; F16-F70 HydrophobicContact CE2-CD1 4.22Å; F16-F70 HydrophobicContact CE2-CD2 4.31Å; F16-F70 AromaticContact CE2-CG 3.86Å; F16-F70 HydrophobicContact CE2-CG 3.86Å
17Q95.1Very high94Very high108 Ų10877.3 Ų77.351%0.50541%0.408SS..Hα-helixtrans-65.8-24.7177.9-75175.6-11.400113.5K13 E14 A15 F19 D20K13-Q17 VanDerWaalsContact O-CG 3.3Å; K13-Q17 WeakPolarHBondContact O-CG 3.34Å; K13-Q17 PolarHBondContact O-N 3.37Å; E14-Q17 PolarHBondContact O-N 3.22Å; A15-Q17 VanDerWaalsContact C-N 3.27Å; A15-Q17 PolarHBondContact O-N 3.02Å; Q17-F19 PolarHBondContact O-N 2.97Å; Q17-D20 PolarHBondContact O-N 3.09Å
18L94.8Very high94.2Very high150 Ų15074 Ų7479%0.78539%0.39SS*.Hα-helixtrans-66.8-22.7174-62.4175.4000112.6E14 A15 F16E14-L18 PolarHBondContact O-N 3.05Å; A15-L18 WeakPolarHBondContact O-CB 3.44Å; A15-L18 PolarHBondContact O-N 3.39Å; A15-L18 VanDerWaalsContact O-N 3.08Å; F16-L18 VanDerWaalsContact C-N 3.26Å; F16-L18 PolarHBondContact O-N 3.28Å
19F94.6Very high94.4Very high52 Ų5272.3 Ų72.323%0.22838%0.381CS..Hα-helixtrans-96.6-14.2179.1-70.9-99.1000113.4A15 F16 Q17 R21 I27 Q31 D34 V35 A38A15-F19 WeakPolarHBondContact O-CD2 3.49Å; F16-F19 PolarHBondContact O-N 3.34Å; F16-F19 VanDerWaalsContact O-N 3.11Å; Q17-F19 PolarHBondContact O-N 2.97Å; F19-R21 PolarHBondContact O-N 2.98Å; F19-R21 VanDerWaalsContact O-N 3.14Å; F19-I27 HydrophobicContact CB-CG2 3.92Å; F19-Q31 PolarHBondContact O-NE2 2.9Å; F19-D34 HydrophobicContact CE1-CB 3.87Å; F19-V35 HydrophobicContact CB-CG2 3.79Å; F19-V35 HydrophobicContact CD1-CG2 3.87Å; F19-V35 HydrophobicContact CD2-CG2 3.69Å; F19-V35 HydrophobicContact CE1-CG2 4.34Å; F19-V35 HydrophobicContact CE2-CG2 4.19Å; F19-V35 HydrophobicContact CG-CG2 3.52Å; F19-V35 HydrophobicContact CZ-CG2 4.49Å; F19-A38 HydrophobicContact CE2-CB 3.82Å; F19-A38 HydrophobicContact CZ-CB 3.8Å
20D93.8Very high94.5Very high23 Ų2372.5 Ų72.512%0.12338%0.384CS..  trans-71.7100.8173.1177.35.5000110F16 Q17 T22 G23 D24 G25F16-D20 PolarHBondContact O-N 3.42Å; Q17-D20 PolarHBondContact O-N 3.09Å; D20-T22 VanDerWaalsContact C-N 3.31Å; D20-T22 PolarHBondContact OD1-N 2.97Å; D20-T22 PolarHBondContact OD1-OG1 2.97Å; D20-G23 VanDerWaalsContact CG-N 3.3Å; D20-G23 PolarHBondContact OD1-N 3.15Å; D20-G23 VanDerWaalsContact OD2-C 3.24Å; D20-G23 WeakPolarHBondContact OD2-CA 3.48Å; D20-G23 PolarHBondContact OD2-N 2.96Å; D20-D24 PolarHBondContact OD2-N 3.16Å; D20-D24 VanDerWaalsContact OD2-N 3.13Å; D20-G25 VanDerWaalsContact OD2-CA 3.29Å; D20-G25 WeakPolarHBondContact OD2-CA 3.47Å; D20-G25 PolarHBondContact OD2-N 3.25Å
21R89.2Confident94.6Very high219 Ų21971 Ų7183%0.82637%0.369SS*.SBendtrans-78.7-17.1-179.6-62.7-178.7-179.5176.71.1112.9F19F19-R21 PolarHBondContact O-N 2.98Å; F19-R21 VanDerWaalsContact O-N 3.14Å
22T89.4Confident94.8Very high112 Ų11265.1 Ų65.169%0.68734%0.341SS*.SBendtrans-104.8-17.1-171.735.70000113.1D20 D24D20-T22 VanDerWaalsContact C-N 3.31Å; D20-T22 PolarHBondContact OD1-N 2.97Å; D20-T22 PolarHBondContact OD1-OG1 2.97Å; T22-D24 PolarHBondContact O-N 3.2Å; T22-D24 PolarHBondContact OG1-OD1 2.86Å
23G91Very high94.8Very high68 Ų6864.2 Ų64.270%0.70134%0.339SS*.SBendtrans72.316.1-177.900000113.5D20D20-G23 VanDerWaalsContact CG-N 3.3Å; D20-G23 PolarHBondContact OD1-N 3.15Å; D20-G23 VanDerWaalsContact OD2-C 3.24Å; D20-G23 WeakPolarHBondContact OD2-CA 3.48Å; D20-G23 PolarHBondContact OD2-N 2.96Å
24D94.4Very high94.8Very high89 Ų8963 Ų6348%0.47634%0.337SS..SBendtrans-96.17.4-179.573.4-35.5000113.2D20 T22D20-D24 PolarHBondContact OD2-N 3.16Å; D20-D24 VanDerWaalsContact OD2-N 3.13Å; T22-D24 PolarHBondContact O-N 3.2Å; T22-D24 PolarHBondContact OG1-OD1 2.86Å
25G94.8Very high95Very high32 Ų3256.7 Ų56.733%0.3331%0.307SS..SBendtrans78.726.2178.600000113.3D20D20-G25 VanDerWaalsContact OD2-CA 3.29Å; D20-G25 WeakPolarHBondContact OD2-CA 3.47Å; D20-G25 PolarHBondContact OD2-N 3.25Å
26K96.8Very high95.1Very high80 Ų8055.8 Ų55.835%0.34830%0.3SS..EExtended strand (participates in β ladder)trans-136.1154.1-174.2-56.4-174.2-173.8-178.50112.7V64 L65 D66K26-V64 HydrophobicContact CB-CB 4.16Å; K26-V64 HydrophobicContact CD-CB 4.23Å; K26-V64 HydrophobicContact CD-CG2 3.73Å; K26-L65 VanDerWaalsContact CA-O 3.26Å; K26-L65 WeakPolarHBondContact CA-O 3.17Å; K26-D66 HydrophobicContact CG-CB 4.31Å
27I97Very high95Very high1 Ų159.9 Ų59.91%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-125.9157.8172.166.1175.4000110.1F16 F19 Q31 V35 V64 L65F16-I27 HydrophobicContact CD1-CG2 4.34Å; F16-I27 HydrophobicContact CD2-CD1 4Å; F16-I27 HydrophobicContact CD2-CG2 4.47Å; F16-I27 HydrophobicContact CE1-CG2 3.91Å; F16-I27 HydrophobicContact CE2-CB 4.43Å; 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 4.07Å; F16-I27 HydrophobicContact CZ-CB 4.19Å; F16-I27 HydrophobicContact CZ-CD1 4.04Å; F16-I27 HydrophobicContact CZ-CG1 3.67Å; F16-I27 HydrophobicContact CZ-CG2 3.77Å; F19-I27 HydrophobicContact CB-CG2 3.92Å; I27-Q31 HydrophobicContact CB-CB 4.3Å; I27-Q31 HydrophobicContact CD1-CB 4.49Å; I27-V35 HydrophobicContact CD1-CB 4.35Å; I27-V35 HydrophobicContact CD1-CG2 3.61Å; I27-V64 CarbonylContact O-C 3.57Å; I27-V64 WeakPolarHBondContact O-CA 3.45Å; I27-L65 HydrophobicContact CG1-CB 4.28Å; I27-L65 PolarHBondContact N-O 3.25Å; I27-L65 PolarHBondContact O-N 3.29Å
28L96.9Very high95Very high54 Ų5457.7 Ų57.728%0.28332%0.316SS..EExtended strand (participates in β ladder)trans-69.9153170.9-68167.6000111S30 Q31 K63 V64L28-S30 PolarHBondContact O-N 2.78Å; L28-Q31 HydrophobicContact CB-CG 4.19Å; L28-Q31 WeakPolarHBondContact O-CB 3.36Å; L28-Q31 PolarHBondContact O-N 2.99Å; L28-K63 WeakPolarHBondContact CA-O 3.14Å; L28-V64 HydrophobicContact CD2-CG1 4Å
29Y97.1Very high95Very high39 Ų3951.9 Ų51.915%0.15329%0.285CS..G310 helixtrans-55.7-36.7172-87.233000112Q31 C32 L52 P55 K63 V64 L65Y29-Q31 PolarHBondContact O-N 3.37Å; Y29-C32 WeakPolarHBondContact O-CB 3.47Å; Y29-C32 PolarHBondContact O-N 2.72Å; Y29-C32 VanDerWaalsContact O-N 3.16Å; Y29-L52 HydrophobicContact CD1-CD2 4.26Å; Y29-L52 HydrophobicContact CD2-CB 4.27Å; Y29-L52 HydrophobicContact CD2-CD1 4.23Å; Y29-L52 HydrophobicContact CD2-CD2 3.9Å; Y29-L52 HydrophobicContact CD2-CG 4.37Å; Y29-L52 HydrophobicContact CE1-CD2 4.42Å; Y29-L52 HydrophobicContact CE2-CB 4.29Å; Y29-L52 HydrophobicContact CE2-CD2 4.05Å; Y29-L52 HydrophobicContact CG-CD1 4.42Å; Y29-L52 HydrophobicContact CG-CD2 3.99Å; Y29-P55 HydrophobicContact CD2-CB 4.12Å; Y29-P55 HydrophobicContact CD2-CG 4.12Å; Y29-P55 HydrophobicContact CE2-CB 4.38Å; Y29-K63 HydrophobicContact CD1-CB 3.71Å; Y29-K63 WeakPolarHBondContact CD1-O 3.41Å; Y29-K63 HydrophobicContact CD2-CB 4.01Å; Y29-K63 HydrophobicContact CD2-CD 4.41Å; Y29-K63 HydrophobicContact CE1-CB 3.78Å; Y29-K63 HydrophobicContact CE2-CB 4.1Å; Y29-K63 HydrophobicContact CE2-CD 3.96Å; Y29-K63 HydrophobicContact CG-CB 3.83Å; Y29-K63 PolarHBondContact N-O 3.06Å; Y29-V64 WeakPolarHBondContact CE1-O 3.1Å; Y29-L65 HydrophobicContact CD1-CB 4.17Å; Y29-L65 HydrophobicContact CE1-CB 4.05Å; Y29-L65 HydrophobicContact CE1-CD1 4.32Å
30S95.8Very high94.9Very high41 Ų4152.1 Ų52.129%0.28730%0.303SS..G310 helixtrans-61.7-23.7174.951.20000114.5L28 M60 N61L28-S30 PolarHBondContact O-N 2.78Å; S30-M60 WeakPolarHBondContact CB-O 3.02Å; S30-M60 PolarHBondContact N-O 3.35Å; S30-M60 PolarHBondContact OG-O 3.33Å; S30-N61 WeakPolarHBondContact CB-OD1 3.36Å; S30-N61 PolarHBondContact OG-OD1 3.01Å
31Q96.5Very high94.9Very high16 Ų1653 Ų538%0.07531%0.306CS..G310 helixtrans-88.4-11.4178.8-61.2174.9-81.600112.6F19 I27 L28 Y29 G33 D34 V35F19-Q31 PolarHBondContact O-NE2 2.9Å; I27-Q31 HydrophobicContact CB-CB 4.3Å; I27-Q31 HydrophobicContact CD1-CB 4.49Å; L28-Q31 HydrophobicContact CB-CG 4.19Å; L28-Q31 WeakPolarHBondContact O-CB 3.36Å; L28-Q31 PolarHBondContact O-N 2.99Å; Y29-Q31 PolarHBondContact O-N 3.37Å; Q31-G33 VanDerWaalsContact C-N 3.33Å; Q31-G33 PolarHBondContact O-N 3.09Å; Q31-D34 PolarHBondContact O-N 3.42Å; Q31-D34 VanDerWaalsContact O-N 3.11Å; Q31-V35 WeakPolarHBondContact O-CG2 3.3Å; Q31-V35 PolarHBondContact O-N 2.93Å
32C97Very high95.2Very high0 Ų047.8 Ų47.80%030%0.295CS..Hα-helixtrans-56.5-44.1-173-174.30000112.7Y29 V35 M36 V48 L52Y29-C32 WeakPolarHBondContact O-CB 3.47Å; Y29-C32 PolarHBondContact O-N 2.72Å; Y29-C32 VanDerWaalsContact O-N 3.16Å; C32-V35 PolarHBondContact O-N 3.16Å; C32-M36 WeakPolarHBondContact O-CG 3.42Å; C32-M36 PolarHBondContact O-N 2.94Å; C32-M36 VanDerWaalsContact O-N 3.09Å; C32-M36 WeakPolarHBondContact SG-CE 3.24Å; C32-V48 HydrophobicContact CB-CG1 4.28Å; C32-L52 HydrophobicContact CB-CD1 4.13Å; C32-L52 HydrophobicContact CB-CD2 4.14Å; C32-L52 HydrophobicContact CB-CG 4.49Å
33G96.6Very high95.5Very high5 Ų542.7 Ų42.75%0.05226%0.263CS..Hα-helixtrans-64.3-40.3177.800000112.9Q31 M36 R37Q31-G33 VanDerWaalsContact C-N 3.33Å; Q31-G33 PolarHBondContact O-N 3.09Å; G33-M36 PolarHBondContact O-N 3.27Å; G33-R37 WeakPolarHBondContact O-CG 3.44Å; G33-R37 PolarHBondContact O-N 3.02Å
34D95.9Very high95.7Very high79 Ų7942.4 Ų42.442%0.42225%0.248SC..Hα-helixtrans-66.3-39.7179.6-58.6-22.3000111.4F19 Q31 R37 A38F19-D34 HydrophobicContact CE1-CB 3.87Å; Q31-D34 PolarHBondContact O-N 3.42Å; Q31-D34 VanDerWaalsContact O-N 3.11Å; D34-R37 PolarHBondContact O-N 2.91Å; D34-R37 IonicContact OD1-NH1 3.73Å; D34-A38 WeakPolarHBondContact O-CB 3.46Å; D34-A38 PolarHBondContact O-N 3.38Å
35V97Very high95.8Very high0 Ų041.7 Ų41.70%024%0.244CC..Hα-helixtrans-65.4-41.5174.9-173.70000111F16 F19 I27 Q31 C32 R37 A38 L39 F70F16-V35 HydrophobicContact CD2-CG1 4.33Å; F19-V35 HydrophobicContact CB-CG2 3.79Å; F19-V35 HydrophobicContact CD1-CG2 3.87Å; F19-V35 HydrophobicContact CD2-CG2 3.69Å; F19-V35 HydrophobicContact CE1-CG2 4.34Å; F19-V35 HydrophobicContact CE2-CG2 4.19Å; F19-V35 HydrophobicContact CG-CG2 3.52Å; F19-V35 HydrophobicContact CZ-CG2 4.49Å; I27-V35 HydrophobicContact CD1-CB 4.35Å; I27-V35 HydrophobicContact CD1-CG2 3.61Å; Q31-V35 WeakPolarHBondContact O-CG2 3.3Å; Q31-V35 PolarHBondContact O-N 2.93Å; C32-V35 PolarHBondContact O-N 3.16Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 3.45Å; V35-A38 PolarHBondContact O-N 3.22Å; V35-L39 HydrophobicContact CG1-CD1 4.19Å; V35-L39 VanDerWaalsContact O-CG 3.3Å; V35-L39 WeakPolarHBondContact O-CG 3.47Å; V35-L39 PolarHBondContact O-N 2.89Å; V35-F70 HydrophobicContact CB-CE2 4.11Å; V35-F70 HydrophobicContact CB-CZ 3.96Å; V35-F70 HydrophobicContact CG1-CE1 4Å; V35-F70 HydrophobicContact CG1-CE2 4.1Å; V35-F70 HydrophobicContact CG1-CZ 3.53Å
36M96.8Very high95.8Very high0 Ų042.8 Ų42.80%025%0.25CS..Hα-helixtrans-60.9-41.3175.6-70.6173.5178.200111.8C32 G33 L39 G40 Q41 P43 V48 V51 F70 M73 L74 V77C32-M36 WeakPolarHBondContact O-CG 3.42Å; C32-M36 PolarHBondContact O-N 2.94Å; C32-M36 VanDerWaalsContact O-N 3.09Å; C32-M36 WeakPolarHBondContact SG-CE 3.24Å; G33-M36 PolarHBondContact O-N 3.27Å; M36-L39 CarbonylContact O-C 3.46Å; M36-L39 PolarHBondContact O-N 2.9Å; M36-G40 PolarHBondContact O-N 3.38Å; M36-Q41 HydrophobicContact CB-CB 4.45Å; M36-Q41 WeakPolarHBondContact O-CB 3.12Å; M36-Q41 PolarHBondContact O-N 2.81Å; M36-P43 HydrophobicContact CB-CG 3.99Å; M36-P43 HydrophobicContact SD-CG 4.19Å; M36-V48 HydrophobicContact SD-CG2 4.33Å; M36-V51 HydrophobicContact CE-CG2 3.97Å; M36-F70 HydrophobicContact CE-CD2 4.43Å; M36-F70 HydrophobicContact CE-CE2 3.95Å; M36-F70 HydrophobicContact CG-CE2 3.86Å; M36-F70 HydrophobicContact CG-CZ 3.99Å; M36-M73 HydrophobicContact CE-CB 3.73Å; M36-L74 HydrophobicContact CB-CD1 4.47Å; M36-L74 HydrophobicContact CG-CD1 4.09Å; M36-V77 HydrophobicContact CE-CG2 4.29Å; M36-V77 HydrophobicContact SD-CG2 3.88Å
37R95.5Very high95.8Very high89 Ų8941.2 Ų41.234%0.33624%0.244SC..Hα-helixtrans-66.6-41.8176.1-68.9174.4-169.3118.60.9112.8G33 D34 V35 L39 G40 Q41 P43 N45G33-R37 WeakPolarHBondContact O-CG 3.44Å; G33-R37 PolarHBondContact O-N 3.02Å; D34-R37 PolarHBondContact O-N 2.91Å; D34-R37 IonicContact OD1-NH1 3.73Å; V35-R37 VanDerWaalsContact C-N 3.31Å; V35-R37 PolarHBondContact O-N 3.45Å; R37-L39 PolarHBondContact O-N 3.46Å; R37-G40 PolarHBondContact O-N 2.95Å; R37-Q41 WeakPolarHBondContact CA-O 3.39Å; R37-Q41 WeakPolarHBondContact CG-O 3.05Å; R37-P43 PolarHBondContact NH2-O 3.22Å; R37-P43 VanDerWaalsContact NH2-O 3.11Å; R37-N45 PolarHBondContact NH2-OD1 3.44Å; R37-N45 VanDerWaalsContact NH2-OD1 3.08Å
38A94.9Very high95.8Very high62 Ų6241.6 Ų41.651%0.51225%0.247SC..Hα-helixtrans-62.1-23.8173.100000113.2F19 D34 V35 G40F19-A38 HydrophobicContact CE2-CB 3.82Å; F19-A38 HydrophobicContact CZ-CB 3.8Å; D34-A38 WeakPolarHBondContact O-CB 3.46Å; D34-A38 PolarHBondContact O-N 3.38Å; V35-A38 PolarHBondContact O-N 3.22Å; A38-G40 VanDerWaalsContact C-N 3.3Å
39L94.7Very high95.8Very high28 Ų2842.1 Ų42.115%0.14725%0.249CC..THydrogen-bonded Turntrans-91.816.5174.6-67179.3000113.6F12 A15 V35 M36 R37 Q41 F70 L74F12-L39 HydrophobicContact CB-CD1 4.1Å; F12-L39 HydrophobicContact CD1-CD1 3.92Å; F12-L39 HydrophobicContact CD1-CD2 3.57Å; F12-L39 HydrophobicContact CD1-CG 4.24Å; F12-L39 HydrophobicContact CE1-CD2 4.22Å; F12-L39 HydrophobicContact CG-CD1 4.11Å; F12-L39 HydrophobicContact CG-CD2 4.43Å; A15-L39 HydrophobicContact CB-CD2 3.42Å; A15-L39 VanDerWaalsContact CB-CD2 3.42Å; A15-L39 HydrophobicContact CB-CG 4.24Å; V35-L39 HydrophobicContact CG1-CD1 4.19Å; V35-L39 VanDerWaalsContact O-CG 3.3Å; V35-L39 WeakPolarHBondContact O-CG 3.47Å; V35-L39 PolarHBondContact O-N 2.89Å; M36-L39 CarbonylContact O-C 3.46Å; M36-L39 PolarHBondContact O-N 2.9Å; R37-L39 PolarHBondContact O-N 3.46Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 2.7Å; L39-F70 HydrophobicContact CD1-CE1 3.85Å; L39-F70 HydrophobicContact CD1-CZ 4.08Å; L39-L74 HydrophobicContact CB-CD1 4.35Å; L39-L74 HydrophobicContact CD1-CD1 4.23Å; L39-L74 HydrophobicContact CD1-CD2 3.63Å
40G92Very high95.7Very high58 Ų5847.5 Ų47.560%0.59827%0.274SS*.THydrogen-bonded Turntrans7618.4173.900000114.5M36 R37 A38M36-G40 PolarHBondContact O-N 3.38Å; R37-G40 PolarHBondContact O-N 2.95Å; A38-G40 VanDerWaalsContact C-N 3.3Å
41Q94.6Very high95.8Very high42 Ų4247.1 Ų47.120%0.19627%0.269CS..  trans-99.9145.5172.7-53.9-52.9-55.400110.7M36 R37 L39 P43 L74 V77 A78M36-Q41 HydrophobicContact CB-CB 4.45Å; M36-Q41 WeakPolarHBondContact O-CB 3.12Å; M36-Q41 PolarHBondContact O-N 2.81Å; R37-Q41 WeakPolarHBondContact CA-O 3.39Å; R37-Q41 WeakPolarHBondContact CG-O 3.05Å; L39-Q41 VanDerWaalsContact C-N 3.34Å; L39-Q41 PolarHBondContact O-N 2.7Å; Q41-P43 WeakPolarHBondContact O-CD 3.41Å; Q41-L74 HydrophobicContact CG-CD1 3.74Å; Q41-V77 HydrophobicContact CB-CG1 3.88Å; Q41-V77 HydrophobicContact CG-CG1 4.33Å; Q41-A78 VanDerWaalsContact OE1-CA 3.29Å
42N94.2Very high95.8Very high108 Ų10847 Ų4758%0.57827%0.269SS*.  trans-115.260.7178.5-64.3-52.4000112.4
43P96.1Very high95.7Very high5 Ų549.8 Ų49.83%0.03230%0.298CS..  trans-70.4144.9177.431-34.1000111.6M36 R37 Q41 E47 V48 V77M36-P43 HydrophobicContact CB-CG 3.99Å; M36-P43 HydrophobicContact SD-CG 4.19Å; R37-P43 PolarHBondContact NH2-O 3.22Å; R37-P43 VanDerWaalsContact NH2-O 3.11Å; Q41-P43 WeakPolarHBondContact O-CD 3.41Å; P43-E47 HydrophobicContact CB-CB 4.25Å; P43-V48 HydrophobicContact CB-CG2 3.89Å; P43-V48 HydrophobicContact CG-CG2 3.77Å; P43-V77 HydrophobicContact CB-CG1 3.77Å; P43-V77 HydrophobicContact CB-CG2 4.3Å; P43-V77 HydrophobicContact CG-CG1 4.11Å
44T95.9Very high95.7Very high62 Ų6255 Ų5538%0.3833%0.325SS..  trans-65.8156.2162.961.20000110.6A46 E47 V48T44-A46 PolarHBondContact O-N 3.06Å; T44-E47 WeakPolarHBondContact CB-OE2 3.4Å; T44-E47 PolarHBondContact N-OE2 3.12Å; T44-E47 PolarHBondContact O-N 3.32Å; T44-E47 VanDerWaalsContact O-N 3.12Å; T44-E47 WeakPolarHBondContact OG1-CB 3.34Å; T44-E47 VanDerWaalsContact OG1-CD 3.3Å; T44-E47 WeakPolarHBondContact OG1-CG 3.4Å; T44-E47 PolarHBondContact OG1-N 3.11Å; T44-E47 VanDerWaalsContact OG1-N 3.17Å; T44-E47 PolarHBondContact OG1-OE2 3.28Å; T44-V48 WeakPolarHBondContact O-CG2 3.41Å; T44-V48 PolarHBondContact O-N 3.29Å; T44-V48 VanDerWaalsContact O-N 3.07Å
45N95.4Very high95.7Very high75 Ų7552.1 Ų52.140%0.40131%0.31SS..Hα-helixtrans-60.4-36.3175.4-63.5-36000111R37 E47 V48 L49 E118R37-N45 PolarHBondContact NH2-OD1 3.44Å; R37-N45 VanDerWaalsContact NH2-OD1 3.08Å; N45-E47 PolarHBondContact O-N 3.16Å; N45-V48 PolarHBondContact O-N 3.26Å; N45-L49 WeakPolarHBondContact O-CG 3.5Å; N45-L49 PolarHBondContact O-N 3.2Å; N45-E118 WeakPolarHBondContact CB-OE2 3.4Å; N45-E118 PolarHBondContact N-OE1 2.92Å; N45-E118 PolarHBondContact N-OE2 2.65Å; N45-E118 PolarHBondContact ND2-OE2 3.31Å
46A95.4Very high95.6Very high55 Ų5559 Ų5946%0.45534%0.34SS..Hα-helixtrans-61.5-40.6173.800000113T44 L49 K50 E118T44-A46 PolarHBondContact O-N 3.06Å; A46-L49 PolarHBondContact O-N 3.07Å; A46-K50 WeakPolarHBondContact O-CB 3.29Å; A46-K50 PolarHBondContact O-N 2.87Å; A46-E118 WeakPolarHBondContact CB-OE1 3.43Å; A46-E118 PolarHBondContact N-OE1 2.94Å
47E95.9Very high95.3Very high47 Ų4764.3 Ų64.322%0.2238%0.377CS..Hα-helixtrans-67-42.8175.9-74.6167.3125.600112.2P43 T44 N45 L49 K50 V51 N80P43-E47 HydrophobicContact CB-CB 4.25Å; T44-E47 WeakPolarHBondContact CB-OE2 3.4Å; T44-E47 PolarHBondContact N-OE2 3.12Å; T44-E47 PolarHBondContact O-N 3.32Å; T44-E47 VanDerWaalsContact O-N 3.12Å; T44-E47 WeakPolarHBondContact OG1-CB 3.34Å; T44-E47 VanDerWaalsContact OG1-CD 3.3Å; T44-E47 WeakPolarHBondContact OG1-CG 3.4Å; T44-E47 PolarHBondContact OG1-N 3.11Å; T44-E47 VanDerWaalsContact OG1-N 3.17Å; T44-E47 PolarHBondContact OG1-OE2 3.28Å; N45-E47 PolarHBondContact O-N 3.16Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.35Å; E47-K50 WeakPolarHBondContact O-CB 3.35Å; E47-K50 PolarHBondContact O-N 2.98Å; E47-K50 VanDerWaalsContact O-N 3.16Å; E47-V51 WeakPolarHBondContact O-CG2 3.5Å; E47-V51 PolarHBondContact O-N 3.38Å; E47-N80 PolarHBondContact OE1-ND2 2.97Å
48V97Very high95.1Very high9 Ų965.5 Ų65.56%0.05539%0.39CS..Hα-helixtrans-58.3-47.9175.1177.30000110.1C32 M36 P43 T44 N45 K50 V51 L52C32-V48 HydrophobicContact CB-CG1 4.28Å; M36-V48 HydrophobicContact SD-CG2 4.33Å; P43-V48 HydrophobicContact CB-CG2 3.89Å; P43-V48 HydrophobicContact CG-CG2 3.77Å; T44-V48 WeakPolarHBondContact O-CG2 3.41Å; T44-V48 PolarHBondContact O-N 3.29Å; T44-V48 VanDerWaalsContact O-N 3.07Å; N45-V48 PolarHBondContact O-N 3.26Å; V48-K50 VanDerWaalsContact C-N 3.3Å; V48-K50 PolarHBondContact O-N 3.09Å; V48-V51 VanDerWaalsContact O-CG2 3.23Å; V48-V51 WeakPolarHBondContact O-CG2 3.22Å; V48-V51 PolarHBondContact O-N 2.98Å; V48-L52 HydrophobicContact CG1-CD1 3.91Å; V48-L52 WeakPolarHBondContact O-CB 3.21Å; V48-L52 VanDerWaalsContact O-CG 3.26Å; V48-L52 WeakPolarHBondContact O-CG 3.36Å; V48-L52 PolarHBondContact O-N 3.2Å; V48-L52 VanDerWaalsContact O-N 3.07Å
49L96.6Very high95.1Very high65 Ų6564.9 Ų64.934%0.3438%0.377SS..Hα-helixtrans-60.3-41.5176.3-70.8174.5000111.8N45 A46 E47 L52 G53 N54 P55 M60N45-L49 WeakPolarHBondContact O-CG 3.5Å; N45-L49 PolarHBondContact O-N 3.2Å; A46-L49 PolarHBondContact O-N 3.07Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.35Å; L49-L52 CarbonylContact O-C 3.52Å; L49-L52 PolarHBondContact O-N 3.43Å; L49-G53 PolarHBondContact O-N 3.05Å; L49-N54 WeakPolarHBondContact O-CA 3.36Å; L49-N54 PolarHBondContact O-N 3.5Å; L49-P55 HydrophobicContact CD2-CG 4.11Å; L49-M60 HydrophobicContact CD2-CE 4.09Å; L49-M60 HydrophobicContact CD2-SD 3.99Å
50K96.5Very high95.1Very high152 Ų15265.2 Ų65.266%0.66138%0.378SS*.Hα-helixtrans-62.7-45.9179.5-177.2-179.2177-1760112.1A46 E47 V48 L52 G53A46-K50 WeakPolarHBondContact O-CB 3.29Å; A46-K50 PolarHBondContact O-N 2.87Å; E47-K50 WeakPolarHBondContact O-CB 3.35Å; E47-K50 PolarHBondContact O-N 2.98Å; E47-K50 VanDerWaalsContact O-N 3.16Å; V48-K50 VanDerWaalsContact C-N 3.3Å; V48-K50 PolarHBondContact O-N 3.09Å; K50-L52 VanDerWaalsContact C-N 3.28Å; K50-L52 PolarHBondContact O-N 2.96Å; K50-G53 PolarHBondContact O-N 3.41Å
51V96.4Very high95.1Very high33 Ų3367.8 Ų67.820%0.238%0.378CS..Hα-helixtrans-70.5-26.3179-60.70000112.5M36 E47 V48 G53 M73 T76 V77M36-V51 HydrophobicContact CE-CG2 3.97Å; E47-V51 WeakPolarHBondContact O-CG2 3.5Å; E47-V51 PolarHBondContact O-N 3.38Å; V48-V51 VanDerWaalsContact O-CG2 3.23Å; V48-V51 WeakPolarHBondContact O-CG2 3.22Å; V48-V51 PolarHBondContact O-N 2.98Å; V51-G53 PolarHBondContact O-N 2.98Å; V51-M73 HydrophobicContact CB-CB 4.02Å; V51-M73 HydrophobicContact CB-CG 4.15Å; V51-M73 HydrophobicContact CG2-CB 4.03Å; V51-M73 HydrophobicContact CG2-CG 4.41Å; V51-T76 HydrophobicContact CG1-CG2 4.12Å; V51-V77 HydrophobicContact CG1-CG2 4.25Å
52L96.9Very high95.1Very high13 Ų1371 Ų717%0.06840%0.4CS..THydrogen-bonded Turntrans-76.5-4.1170.1-68.9172.4000113.8Y29 C32 V48 L49 K50 P55 M60 L65 M73Y29-L52 HydrophobicContact CD1-CD2 4.26Å; Y29-L52 HydrophobicContact CD2-CB 4.27Å; Y29-L52 HydrophobicContact CD2-CD1 4.23Å; Y29-L52 HydrophobicContact CD2-CD2 3.9Å; Y29-L52 HydrophobicContact CD2-CG 4.37Å; Y29-L52 HydrophobicContact CE1-CD2 4.42Å; Y29-L52 HydrophobicContact CE2-CB 4.29Å; Y29-L52 HydrophobicContact CE2-CD2 4.05Å; Y29-L52 HydrophobicContact CG-CD1 4.42Å; Y29-L52 HydrophobicContact CG-CD2 3.99Å; C32-L52 HydrophobicContact CB-CD1 4.13Å; C32-L52 HydrophobicContact CB-CD2 4.14Å; C32-L52 HydrophobicContact CB-CG 4.49Å; V48-L52 HydrophobicContact CG1-CD1 3.91Å; V48-L52 WeakPolarHBondContact O-CB 3.21Å; V48-L52 VanDerWaalsContact O-CG 3.26Å; V48-L52 WeakPolarHBondContact O-CG 3.36Å; V48-L52 PolarHBondContact O-N 3.2Å; V48-L52 VanDerWaalsContact O-N 3.07Å; L49-L52 CarbonylContact O-C 3.52Å; L49-L52 PolarHBondContact O-N 3.43Å; K50-L52 VanDerWaalsContact C-N 3.28Å; K50-L52 PolarHBondContact O-N 2.96Å; L52-P55 HydrophobicContact CB-CG 4.02Å; L52-P55 HydrophobicContact CD1-CG 4.48Å; L52-M60 HydrophobicContact CD1-CE 4.19Å; L52-M60 HydrophobicContact CD1-SD 4.29Å; L52-L65 HydrophobicContact CD2-CD2 4.36Å; L52-M73 HydrophobicContact CD2-CE 4.36Å; L52-M73 HydrophobicContact CD2-SD 3.92Å
53G96.2Very high95.1Very high58 Ų5869.7 Ų69.760%0.59839%0.389SS*.THydrogen-bonded Turntrans84.428.2179.700000114.8L49 K50 V51L49-G53 PolarHBondContact O-N 3.05Å; K50-G53 PolarHBondContact O-N 3.41Å; V51-G53 PolarHBondContact O-N 2.98Å
54N96.2Very high95.2Very high116 Ų11672.9 Ų72.962%0.6241%0.408SS*.SBendtrans52.459.4-177-60.3-52.8000112.9L49L49-N54 WeakPolarHBondContact O-CA 3.36Å; L49-N54 PolarHBondContact O-N 3.5Å
55P95.6Very high95.2Very high17 Ų1770.2 Ų70.211%0.1139%0.392CS..  trans-62.1156.2177.830.2-36.9000111.1Y29 L49 L52 E59 M60Y29-P55 HydrophobicContact CD2-CB 4.12Å; Y29-P55 HydrophobicContact CD2-CG 4.12Å; Y29-P55 HydrophobicContact CE2-CB 4.38Å; L49-P55 HydrophobicContact CD2-CG 4.11Å; L52-P55 HydrophobicContact CB-CG 4.02Å; L52-P55 HydrophobicContact CD1-CG 4.48Å; P55-E59 WeakPolarHBondContact CA-OE2 3.49Å; P55-E59 HydrophobicContact CB-CB 4.15Å; P55-E59 WeakPolarHBondContact CB-OE2 3.32Å; P55-M60 HydrophobicContact CB-SD 4.3Å; P55-M60 HydrophobicContact CG-SD 3.5Å; P55-M60 VanDerWaalsContact CG-SD 3.5Å
56K94.4Very high95.2Very high145 Ų14569 Ų6963%0.6339%0.385SS*.  trans-74.4158.5170.1-63.2-179.8-176.3176.60110.5D58 E59K56-D58 WeakPolarHBondContact CB-OD1 3.45Å; K56-D58 PolarHBondContact O-N 3.49Å; K56-E59 HydrophobicContact CB-CG 4.15Å; K56-E59 PolarHBondContact N-OE2 2.89Å; K56-E59 VanDerWaalsContact N-OE2 3.12Å; K56-E59 WeakPolarHBondContact O-CB 3.31Å; K56-E59 PolarHBondContact O-N 3.39Å
57S90.2Very high95.3Very high111 Ų11167.6 Ų67.678%0.77637%0.369SS*.THydrogen-bonded Turntrans-58.9-33.8-177.8-51.50000113.7E59S57-E59 VanDerWaalsContact C-N 3.27Å; S57-E59 PolarHBondContact O-N 3.26Å
58D92Very high95.2Very high114 Ų11473 Ų7361%0.6139%0.394SS*.THydrogen-bonded Turntrans-71.8-19.9176.460.2-36.4000113.1K56 V62K56-D58 WeakPolarHBondContact CB-OD1 3.45Å; K56-D58 PolarHBondContact O-N 3.49Å; D58-V62 WeakPolarHBondContact O-CG2 3.43Å
59E94.2Very high95.2Very high50 Ų5078 Ų7823%0.23442%0.417CS..THydrogen-bonded Turntrans-82.3-24.1178.5-59.7-177.4142.700112.6P55 K56 S57 N61 V62 K63P55-E59 WeakPolarHBondContact CA-OE2 3.49Å; P55-E59 HydrophobicContact CB-CB 4.15Å; P55-E59 WeakPolarHBondContact CB-OE2 3.32Å; K56-E59 HydrophobicContact CB-CG 4.15Å; K56-E59 PolarHBondContact N-OE2 2.89Å; K56-E59 VanDerWaalsContact N-OE2 3.12Å; K56-E59 WeakPolarHBondContact O-CB 3.31Å; K56-E59 PolarHBondContact O-N 3.39Å; S57-E59 VanDerWaalsContact C-N 3.27Å; S57-E59 PolarHBondContact O-N 3.26Å; E59-N61 VanDerWaalsContact C-N 3.25Å; E59-N61 PolarHBondContact O-N 2.9Å; E59-V62 PolarHBondContact O-N 3.48Å; E59-V62 VanDerWaalsContact O-N 3.15Å; E59-K63 HydrophobicContact CB-CD 4.01Å; E59-K63 HydrophobicContact CB-CG 4.17Å; E59-K63 VanDerWaalsContact CD-CE 3.43Å; E59-K63 HydrophobicContact CG-CD 4.43Å; E59-K63 WeakPolarHBondContact O-CB 3.37Å; E59-K63 PolarHBondContact O-N 3.44Å; E59-K63 VanDerWaalsContact OE1-CE 3.29Å; E59-K63 WeakPolarHBondContact OE1-CE 3.37Å; E59-K63 IonicContact OE1-NZ 3.48Å; E59-K63 PolarHBondContact OE1-NZ 3.26Å; E59-K63 IonicContact OE2-NZ 2.72Å; E59-K63 PolarHBondContact OE2-NZ 3.26Å
60M94.7Very high95.2Very high35 Ų3575 Ų7517%0.17240%0.401CS..THydrogen-bonded Turntrans-59.6-34.2-174.7-69.8-61.2-75.900113.3S30 L49 L52 P55S30-M60 WeakPolarHBondContact CB-O 3.02Å; S30-M60 PolarHBondContact N-O 3.35Å; S30-M60 PolarHBondContact OG-O 3.33Å; L49-M60 HydrophobicContact CD2-CE 4.09Å; L49-M60 HydrophobicContact CD2-SD 3.99Å; L52-M60 HydrophobicContact CD1-CE 4.19Å; L52-M60 HydrophobicContact CD1-SD 4.29Å; P55-M60 HydrophobicContact CB-SD 4.3Å; P55-M60 HydrophobicContact CG-SD 3.5Å; P55-M60 VanDerWaalsContact CG-SD 3.5Å
61N93.4Very high95.1Very high112 Ų11268.6 Ų68.660%0.59937%0.374SS*.THydrogen-bonded Turntrans-104.511-177.6-63.6-45.5000113.4S30 E59S30-N61 WeakPolarHBondContact CB-OD1 3.36Å; S30-N61 PolarHBondContact OG-OD1 3.01Å; E59-N61 VanDerWaalsContact C-N 3.25Å; E59-N61 PolarHBondContact O-N 2.9Å
62V93.4Very high95.1Very high110 Ų11069.7 Ų69.767%0.66738%0.382SS*.THydrogen-bonded Turntrans-125.9-43.4-177.5179.60000111.2D58 E59D58-V62 WeakPolarHBondContact O-CG2 3.43Å; E59-V62 PolarHBondContact O-N 3.48Å; E59-V62 VanDerWaalsContact O-N 3.15Å
63K95.7Very high95Very high80 Ų8070.5 Ų70.535%0.34839%0.386SS..  trans-74.9142.2178.2-70.9-171.8-177.8165.10110.4L28 Y29 E59L28-K63 WeakPolarHBondContact CA-O 3.14Å; Y29-K63 HydrophobicContact CD1-CB 3.71Å; Y29-K63 WeakPolarHBondContact CD1-O 3.41Å; Y29-K63 HydrophobicContact CD2-CB 4.01Å; Y29-K63 HydrophobicContact CD2-CD 4.41Å; Y29-K63 HydrophobicContact CE1-CB 3.78Å; Y29-K63 HydrophobicContact CE2-CB 4.1Å; Y29-K63 HydrophobicContact CE2-CD 3.96Å; Y29-K63 HydrophobicContact CG-CB 3.83Å; Y29-K63 PolarHBondContact N-O 3.06Å; E59-K63 HydrophobicContact CB-CD 4.01Å; E59-K63 HydrophobicContact CB-CG 4.17Å; E59-K63 VanDerWaalsContact CD-CE 3.43Å; E59-K63 HydrophobicContact CG-CD 4.43Å; E59-K63 WeakPolarHBondContact O-CB 3.37Å; E59-K63 PolarHBondContact O-N 3.44Å; E59-K63 VanDerWaalsContact OE1-CE 3.29Å; E59-K63 WeakPolarHBondContact OE1-CE 3.37Å; E59-K63 IonicContact OE1-NZ 3.48Å; E59-K63 PolarHBondContact OE1-NZ 3.26Å; E59-K63 IonicContact OE2-NZ 2.72Å; E59-K63 PolarHBondContact OE2-NZ 3.26Å
64V96.2Very high95Very high71 Ų7167.9 Ų67.943%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-116.4151.5178.4-66.30000110.4K26 I27 L28 Y29K26-V64 HydrophobicContact CB-CB 4.16Å; K26-V64 HydrophobicContact CD-CB 4.23Å; K26-V64 HydrophobicContact CD-CG2 3.73Å; I27-V64 CarbonylContact O-C 3.57Å; I27-V64 WeakPolarHBondContact O-CA 3.45Å; L28-V64 HydrophobicContact CD2-CG1 4Å; Y29-V64 WeakPolarHBondContact CE1-O 3.1Å
65L96.1Very high95Very high7 Ų763.3 Ų63.34%0.03733%0.333CS..EExtended strand (participates in β ladder)trans-122.7133.8179.9-170.967.6000107.9F16 K26 I27 Y29 L52 H69 F70 M73F16-L65 WeakPolarHBondContact CZ-O 3.26Å; K26-L65 VanDerWaalsContact CA-O 3.26Å; K26-L65 WeakPolarHBondContact CA-O 3.17Å; I27-L65 HydrophobicContact CG1-CB 4.28Å; I27-L65 PolarHBondContact N-O 3.25Å; I27-L65 PolarHBondContact O-N 3.29Å; Y29-L65 HydrophobicContact CD1-CB 4.17Å; Y29-L65 HydrophobicContact CE1-CB 4.05Å; Y29-L65 HydrophobicContact CE1-CD1 4.32Å; L52-L65 HydrophobicContact CD2-CD2 4.36Å; L65-H69 HydrophobicContact CD1-CB 3.43Å; L65-H69 VanDerWaalsContact CD1-CB 3.43Å; L65-H69 HydrophobicContact CG-CB 4.32Å; L65-F70 HydrophobicContact CD2-CB 3.75Å; L65-F70 HydrophobicContact CD2-CD2 3.88Å; L65-F70 HydrophobicContact CD2-CG 4.32Å; L65-F70 HydrophobicContact CG-CB 4.14Å; L65-M73 HydrophobicContact CD1-CE 3.72Å; L65-M73 HydrophobicContact CD1-SD 4.26Å; L65-M73 HydrophobicContact CD2-CE 4.41Å; L65-M73 HydrophobicContact CD2-SD 3.85Å
66D97.1Very high94.9Very high49 Ų4966.8 Ų66.826%0.26235%0.354SS..EExtended strand (participates in β ladder)trans-92.9169.5168.764.443.6000110.8K26 E68 H69 F70K26-D66 HydrophobicContact CG-CB 4.31Å; D66-E68 VanDerWaalsContact C-N 3.31Å; D66-E68 PolarHBondContact O-N 2.75Å; D66-E68 PolarHBondContact OD1-N 2.91Å; D66-E68 VanDerWaalsContact OD1-N 3.09Å; D66-H69 PolarHBondContact O-N 2.8Å; D66-H69 IonicContact OD1-CE1 2.6Å; D66-H69 IonicContact OD1-CG 3.42Å; D66-H69 PolarHBondContact OD1-N 3.31Å; D66-H69 IonicContact OD1-ND1 2.94Å; D66-H69 PolarHBondContact OD1-ND1 3.39Å; D66-H69 IonicContact OD2-CE1 2.77Å; D66-H69 PolarHBondContact OD2-CE1 3.19Å; D66-H69 IonicContact OD2-ND1 3.1Å; D66-H69 PolarHBondContact OD2-ND1 3.08Å; D66-F70 WeakPolarHBondContact O-CB 3.45Å; D66-F70 PolarHBondContact O-N 3.25Å
67F96.4Very high94.9Very high26 Ų2660.1 Ų60.111%0.11433%0.325CS..Hα-helixtrans-62.6-35.3-177.1-175.7-105.6000113.6T9 F12 K13 F16 H69 F70 L71T9-F67 HydrophobicContact CG2-CE1 3.86Å; T9-F67 HydrophobicContact CG2-CZ 4.08Å; T9-F67 WeakPolarHBondContact O-CZ 3.3Å; F12-F67 HydrophobicContact CB-CE2 3.95Å; F12-F67 HydrophobicContact CB-CZ 4Å; K13-F67 VanDerWaalsContact CA-CE2 3.46Å; K13-F67 HydrophobicContact CB-CD1 4.35Å; K13-F67 HydrophobicContact CB-CD2 4.33Å; K13-F67 HydrophobicContact CB-CE1 3.93Å; K13-F67 HydrophobicContact CB-CE2 3.92Å; K13-F67 HydrophobicContact CB-CZ 3.69Å; K13-F67 HydrophobicContact CD-CD1 4.34Å; K13-F67 HydrophobicContact CD-CE1 4.4Å; K13-F67 HydrophobicContact CG-CD1 4.2Å; K13-F67 HydrophobicContact CG-CD2 4.42Å; K13-F67 HydrophobicContact CG-CE1 4.26Å; K13-F67 HydrophobicContact CG-CE2 4.49Å; K13-F67 HydrophobicContact CG-CG 4.27Å; K13-F67 HydrophobicContact CG-CZ 4.4Å; F16-F67 HydrophobicContact CB-CD2 3.86Å; F16-F67 HydrophobicContact CB-CE2 4.28Å; F16-F67 HydrophobicContact CD1-CB 4.32Å; F16-F67 HydrophobicContact CD1-CD2 4.35Å; F16-F67 HydrophobicContact CD2-CD2 4.01Å; F16-F67 HydrophobicContact CE1-CB 4.3Å; F16-F67 AromaticContact CG-CD2 3.83Å; F16-F67 HydrophobicContact CG-CD2 3.83Å; F16-F67 HydrophobicContact CZ-CB 4.49Å; F67-H69 VanDerWaalsContact C-N 3.3Å; F67-H69 PolarHBondContact O-N 3.43Å; F67-F70 HydrophobicContact CD2-CD1 4.33Å; F67-F70 HydrophobicContact CE2-CD1 4.4Å; F67-F70 PolarHBondContact O-N 3.08Å; F67-L71 HydrophobicContact CE1-CD2 4.48Å; F67-L71 HydrophobicContact CZ-CD1 4.1Å; F67-L71 PolarHBondContact O-N 3.48Å
68E94.9Very high95Very high161 Ų16156.6 Ų56.675%0.75230%0.303SS*.Hα-helixtrans-66.5-34.9-178.6-64.5-170.6161.900111.7D66 P72D66-E68 VanDerWaalsContact C-N 3.31Å; D66-E68 PolarHBondContact O-N 2.75Å; D66-E68 PolarHBondContact OD1-N 2.91Å; D66-E68 VanDerWaalsContact OD1-N 3.09Å; E68-P72 WeakPolarHBondContact O-CD 3.39Å
69H95.4Very high95Very high114 Ų11457 Ų5753%0.52830%0.299SS..Hα-helixtrans-81.6-28.8174.5-65.194.4000113L65 D66 F67 P72 M73L65-H69 HydrophobicContact CD1-CB 3.43Å; L65-H69 VanDerWaalsContact CD1-CB 3.43Å; L65-H69 HydrophobicContact CG-CB 4.32Å; D66-H69 PolarHBondContact O-N 2.8Å; D66-H69 IonicContact OD1-CE1 2.6Å; D66-H69 IonicContact OD1-CG 3.42Å; D66-H69 PolarHBondContact OD1-N 3.31Å; D66-H69 IonicContact OD1-ND1 2.94Å; D66-H69 PolarHBondContact OD1-ND1 3.39Å; D66-H69 IonicContact OD2-CE1 2.77Å; D66-H69 PolarHBondContact OD2-CE1 3.19Å; D66-H69 IonicContact OD2-ND1 3.1Å; D66-H69 PolarHBondContact OD2-ND1 3.08Å; F67-H69 VanDerWaalsContact C-N 3.3Å; F67-H69 PolarHBondContact O-N 3.43Å; H69-P72 WeakPolarHBondContact O-CD 3.34Å; H69-M73 WeakPolarHBondContact O-CG 3.48Å
70F96.9Very high94.7Very high0 Ų057 Ų570%030%0.3CS..Hα-helixtrans-68.9-42176.3174.5-101.3000112.9F16 V35 M36 L39 L65 D66 F67 M73 L74F16-F70 HydrophobicContact CD2-CB 4.25Å; F16-F70 AromaticContact CD2-CD1 3.82Å; F16-F70 HydrophobicContact CD2-CD1 3.82Å; F16-F70 HydrophobicContact CD2-CD2 4.47Å; F16-F70 HydrophobicContact CD2-CE1 4.28Å; F16-F70 AromaticContact CD2-CG 3.93Å; F16-F70 HydrophobicContact CD2-CG 3.93Å; F16-F70 HydrophobicContact CE2-CB 3.79Å; F16-F70 HydrophobicContact CE2-CD1 4.22Å; F16-F70 HydrophobicContact CE2-CD2 4.31Å; 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 3.96Å; V35-F70 HydrophobicContact CG1-CE1 4Å; V35-F70 HydrophobicContact CG1-CE2 4.1Å; V35-F70 HydrophobicContact CG1-CZ 3.53Å; M36-F70 HydrophobicContact CE-CD2 4.43Å; M36-F70 HydrophobicContact CE-CE2 3.95Å; M36-F70 HydrophobicContact CG-CE2 3.86Å; M36-F70 HydrophobicContact CG-CZ 3.99Å; L39-F70 HydrophobicContact CD1-CE1 3.85Å; L39-F70 HydrophobicContact CD1-CZ 4.08Å; L65-F70 HydrophobicContact CD2-CB 3.75Å; L65-F70 HydrophobicContact CD2-CD2 3.88Å; L65-F70 HydrophobicContact CD2-CG 4.32Å; L65-F70 HydrophobicContact CG-CB 4.14Å; D66-F70 WeakPolarHBondContact O-CB 3.45Å; D66-F70 PolarHBondContact O-N 3.25Å; F67-F70 HydrophobicContact CD2-CD1 4.33Å; F67-F70 HydrophobicContact CE2-CD1 4.4Å; F67-F70 PolarHBondContact O-N 3.08Å; F70-M73 WeakPolarHBondContact O-CA 3.23Å; F70-M73 VanDerWaalsContact O-CB 3.31Å; F70-M73 WeakPolarHBondContact O-CB 3.49Å; F70-M73 PolarHBondContact O-N 3.47Å; F70-L74 HydrophobicContact CE1-CB 4.08Å; F70-L74 HydrophobicContact CE1-CD2 4.05Å; F70-L74 HydrophobicContact CE1-CG 4.5Å; F70-L74 HydrophobicContact CZ-CB 4.25Å; F70-L74 HydrophobicContact CZ-CD1 4.39Å; F70-L74 PolarHBondContact O-N 3.38Å
71L95.6Very high94.1Very high18 Ų1864.8 Ų64.89%0.09433%0.334CS..Hα-helixtrans-58-43.3-172.1-171.569.1000114.1C2 F4 T9 F12 F67 M73 L74 Q75C2-L71 HydrophobicContact CB-CD2 4.13Å; C2-L71 HydrophobicContact CB-CG 4.47Å; F4-L71 HydrophobicContact CD2-CD1 3.67Å; F4-L71 HydrophobicContact CD2-CG 4.18Å; F4-L71 HydrophobicContact CE2-CD1 3.97Å; T9-L71 HydrophobicContact CG2-CD2 3.88Å; F12-L71 HydrophobicContact CD2-CD1 3.84Å; F67-L71 HydrophobicContact CE1-CD2 4.48Å; F67-L71 HydrophobicContact CZ-CD1 4.1Å; F67-L71 PolarHBondContact O-N 3.48Å; L71-M73 VanDerWaalsContact C-N 3.3Å; L71-M73 PolarHBondContact O-N 3.3Å; L71-L74 PolarHBondContact O-N 3.07Å; L71-Q75 PolarHBondContact O-N 3.49Å
72P95Very high93.8Very high57 Ų5766.1 Ų66.137%0.3734%0.341SS..Hα-helixtrans-64.3-31173.5-22.534.2000113.9E68 H69 T76E68-P72 WeakPolarHBondContact O-CD 3.39Å; H69-P72 WeakPolarHBondContact O-CD 3.34Å; P72-T76 PolarHBondContact O-N 2.97Å; P72-T76 VanDerWaalsContact O-N 3.09Å; P72-T76 PolarHBondContact O-OG1 3.11Å
73M96.3Very high93.4Very high30 Ų3064 Ų6415%0.14832%0.323CS..Hα-helixtrans-69-46.7176.3-59.5178.2-174.700110.2M36 V51 L52 L65 H69 F70 L71 Q75 T76 V77M36-M73 HydrophobicContact CE-CB 3.73Å; V51-M73 HydrophobicContact CB-CB 4.02Å; V51-M73 HydrophobicContact CB-CG 4.15Å; V51-M73 HydrophobicContact CG2-CB 4.03Å; V51-M73 HydrophobicContact CG2-CG 4.41Å; L52-M73 HydrophobicContact CD2-CE 4.36Å; L52-M73 HydrophobicContact CD2-SD 3.92Å; L65-M73 HydrophobicContact CD1-CE 3.72Å; L65-M73 HydrophobicContact CD1-SD 4.26Å; L65-M73 HydrophobicContact CD2-CE 4.41Å; L65-M73 HydrophobicContact CD2-SD 3.85Å; H69-M73 WeakPolarHBondContact O-CG 3.48Å; F70-M73 WeakPolarHBondContact O-CA 3.23Å; F70-M73 VanDerWaalsContact O-CB 3.31Å; F70-M73 WeakPolarHBondContact O-CB 3.49Å; F70-M73 PolarHBondContact O-N 3.47Å; L71-M73 VanDerWaalsContact C-N 3.3Å; L71-M73 PolarHBondContact O-N 3.3Å; M73-Q75 VanDerWaalsContact C-N 3.31Å; M73-Q75 PolarHBondContact O-N 2.78Å; M73-T76 WeakPolarHBondContact O-CB 3.13Å; M73-T76 PolarHBondContact O-N 3.19Å; M73-T76 VanDerWaalsContact O-N 3.11Å; M73-V77 PolarHBondContact O-N 3.46Å; M73-V77 VanDerWaalsContact O-N 3.08Å
74L96Very high93.2Very high2 Ų262.2 Ų62.21%0.0133%0.328CS..Hα-helixtrans-57.5-44.7174.2-179.667.9000111.3F4 F12 M36 L39 Q41 F70 L71 T76 V77 A78F4-L74 HydrophobicContact CE2-CD2 4.34Å; F4-L74 HydrophobicContact CE2-CG 4.42Å; F4-L74 HydrophobicContact CZ-CD2 4.37Å; F4-L74 HydrophobicContact CZ-CG 4.26Å; F12-L74 HydrophobicContact CB-CD2 4.49Å; F12-L74 HydrophobicContact CD1-CD2 4.32Å; F12-L74 HydrophobicContact CD2-CD2 3.59Å; F12-L74 HydrophobicContact CE1-CD2 4.45Å; F12-L74 HydrophobicContact CE2-CD2 3.76Å; F12-L74 HydrophobicContact CG-CD2 3.88Å; F12-L74 HydrophobicContact CZ-CD2 4.19Å; M36-L74 HydrophobicContact CB-CD1 4.47Å; M36-L74 HydrophobicContact CG-CD1 4.09Å; L39-L74 HydrophobicContact CB-CD1 4.35Å; L39-L74 HydrophobicContact CD1-CD1 4.23Å; L39-L74 HydrophobicContact CD1-CD2 3.63Å; Q41-L74 HydrophobicContact CG-CD1 3.74Å; F70-L74 HydrophobicContact CE1-CB 4.08Å; F70-L74 HydrophobicContact CE1-CD2 4.05Å; F70-L74 HydrophobicContact CE1-CG 4.5Å; F70-L74 HydrophobicContact CZ-CB 4.25Å; F70-L74 HydrophobicContact CZ-CD1 4.39Å; F70-L74 PolarHBondContact O-N 3.38Å; L71-L74 PolarHBondContact O-N 3.07Å; L74-T76 VanDerWaalsContact C-N 3.27Å; L74-T76 PolarHBondContact O-N 3.39Å; L74-V77 PolarHBondContact O-N 2.95Å; L74-A78 WeakPolarHBondContact O-CB 3.41Å; L74-A78 PolarHBondContact O-N 3.44Å
75Q94.4Very high93.1Very high21 Ų2162 Ų6210%0.09833%0.327CS..Hα-helixtrans-61.3-36.7177.2-167.1-173.41.600112.6C2 D3 F4 L71 M73 K79C2-Q75 VanDerWaalsContact CA-OE1 3.29Å; D3-Q75 PolarHBondContact OD2-NE2 3.41Å; F4-Q75 HydrophobicContact CD2-CB 4.46Å; F4-Q75 HydrophobicContact CE2-CB 3.58Å; F4-Q75 HydrophobicContact CE2-CG 4.02Å; F4-Q75 HydrophobicContact CZ-CB 3.95Å; F4-Q75 HydrophobicContact CZ-CG 4.19Å; L71-Q75 PolarHBondContact O-N 3.49Å; M73-Q75 VanDerWaalsContact C-N 3.31Å; M73-Q75 PolarHBondContact O-N 2.78Å; Q75-K79 HydrophobicContact CG-CD 4.47Å; Q75-K79 VanDerWaalsContact O-CG 3.32Å; Q75-K79 WeakPolarHBondContact O-CG 3.49Å; Q75-K79 PolarHBondContact O-N 3.06Å
76T94.2Very high93Very high89 Ų8964.5 Ų64.555%0.54634%0.336SS..Hα-helixtrans-65.4-45177.5-600000110.7V51 P72 M73 L74 K79V51-T76 HydrophobicContact CG1-CG2 4.12Å; P72-T76 PolarHBondContact O-N 2.97Å; P72-T76 VanDerWaalsContact O-N 3.09Å; P72-T76 PolarHBondContact O-OG1 3.11Å; M73-T76 WeakPolarHBondContact O-CB 3.13Å; M73-T76 PolarHBondContact O-N 3.19Å; M73-T76 VanDerWaalsContact O-N 3.11Å; L74-T76 VanDerWaalsContact C-N 3.27Å; L74-T76 PolarHBondContact O-N 3.39Å; T76-K79 PolarHBondContact O-N 3.33Å
77V94.6Very high93Very high5 Ų567.7 Ų67.73%0.0335%0.35CS..Hα-helixtrans-64.3-46.3176.1172.10000111.2M36 Q41 P43 V51 M73 L74 K79 N80M36-V77 HydrophobicContact CE-CG2 4.29Å; M36-V77 HydrophobicContact SD-CG2 3.88Å; Q41-V77 HydrophobicContact CB-CG1 3.88Å; Q41-V77 HydrophobicContact CG-CG1 4.33Å; P43-V77 HydrophobicContact CB-CG1 3.77Å; P43-V77 HydrophobicContact CB-CG2 4.3Å; P43-V77 HydrophobicContact CG-CG1 4.11Å; V51-V77 HydrophobicContact CG1-CG2 4.25Å; M73-V77 PolarHBondContact O-N 3.46Å; M73-V77 VanDerWaalsContact O-N 3.08Å; L74-V77 PolarHBondContact O-N 2.95Å; V77-K79 PolarHBondContact O-N 3.14Å; V77-K79 VanDerWaalsContact O-N 3.15Å; V77-N80 WeakPolarHBondContact O-CB 3.34Å; V77-N80 PolarHBondContact O-N 3.25Å
78A92.4Very high92.9Very high37 Ų3771 Ų7131%0.30637%0.369SS..Hα-helixtrans-63.9-21.3-179.200000114.1F4 Q41 L74F4-A78 HydrophobicContact CZ-CB 4.25Å; Q41-A78 VanDerWaalsContact OE1-CA 3.29Å; L74-A78 WeakPolarHBondContact O-CB 3.41Å; L74-A78 PolarHBondContact O-N 3.44Å
79K91.4Very high93Very high122 Ų12268.6 Ų68.653%0.5335%0.354SS..THydrogen-bonded Turntrans-82.4-13.6173.7-76.8176.6176.5-179.80113.2D3 Q75 T76 V77 K81D3-K79 WeakPolarHBondContact OD2-CE 3.36Å; D3-K79 IonicContact OD2-NZ 3.78Å; D3-K79 PolarHBondContact OD2-NZ 3.08Å; Q75-K79 HydrophobicContact CG-CD 4.47Å; Q75-K79 VanDerWaalsContact O-CG 3.32Å; Q75-K79 WeakPolarHBondContact O-CG 3.49Å; Q75-K79 PolarHBondContact O-N 3.06Å; T76-K79 PolarHBondContact O-N 3.33Å; V77-K79 PolarHBondContact O-N 3.14Å; V77-K79 VanDerWaalsContact O-N 3.15Å; K79-K81 PolarHBondContact O-N 3.47Å
80N89.4Confident93Very high50 Ų5063.5 Ų63.527%0.26733%0.33SS..  trans-74.9112.5175.7-170.26.8000110.1E47 V77 D82 Q83E47-N80 PolarHBondContact OE1-ND2 2.97Å; V77-N80 WeakPolarHBondContact O-CB 3.34Å; V77-N80 PolarHBondContact O-N 3.25Å; N80-D82 WeakPolarHBondContact OD1-CB 3.32Å; N80-D82 PolarHBondContact OD1-N 2.89Å; N80-Q83 PolarHBondContact O-NE2 3.41Å
81K81.8Confident93Very high200 Ų20068.1 Ų68.187%0.8735%0.352SS*.  trans-96.6-5178.2-62.3-170.3176.4-1710113.3K79 Q83K79-K81 PolarHBondContact O-N 3.47Å; K81-Q83 VanDerWaalsContact C-N 3.33Å; K81-Q83 PolarHBondContact O-N 3.11Å
82D86.6Confident92.9Very high140 Ų14069.1 Ų69.175%0.74937%0.367SS*.  trans-92.866.7-176.8-165.321.8000110.2N80N80-D82 WeakPolarHBondContact OD1-CB 3.32Å; N80-D82 PolarHBondContact OD1-N 2.89Å
83Q85.9Confident92.9Very high64 Ų6467.9 Ų67.930%0.29936%0.357SS..SBendtrans-1059.6-179.1-62.4-169.812.800112.9N80 K81 Y89N80-Q83 PolarHBondContact O-NE2 3.41Å; K81-Q83 VanDerWaalsContact C-N 3.33Å; K81-Q83 PolarHBondContact O-N 3.11Å; Q83-Y89 PolarHBondContact O-OH 3.04Å
84G91Very high92.8Very high43 Ų4371.3 Ų71.344%0.44337%0.368SS..  trans75.2159-172.700000113.3
85T93.8Very high92.8Very high68 Ų6876.8 Ų76.842%0.41740%0.402SS..  trans-102.6163.2176.862.80000110.8E87 D88 Y89T85-E87 PolarHBondContact O-N 3.09Å; T85-D88 WeakPolarHBondContact CB-OD2 3.42Å; T85-D88 PolarHBondContact N-OD2 2.82Å; T85-D88 WeakPolarHBondContact O-CB 3.41Å; T85-D88 PolarHBondContact O-N 3.35Å; T85-D88 PolarHBondContact OG1-N 3.17Å; T85-D88 PolarHBondContact OG1-OD2 2.77Å; T85-Y89 WeakPolarHBondContact O-CD2 3.3Å; T85-Y89 PolarHBondContact O-N 2.6Å
86Y94.8Very high92.7Very high58 Ų5878.4 Ų78.423%0.22741%0.408CS..Hα-helixtrans-49.7-43.9172.9170.5-98.1000111.5D88 Y89 V90 E142 V145 R146 L149Y86-D88 PolarHBondContact O-N 2.65Å; Y86-Y89 PolarHBondContact O-N 2.94Å; Y86-V90 HydrophobicContact CD1-CG2 4.25Å; Y86-V90 HydrophobicContact CD2-CG2 4.34Å; Y86-V90 HydrophobicContact CE1-CG2 3.7Å; Y86-V90 HydrophobicContact CE2-CG2 3.8Å; Y86-V90 VanDerWaalsContact CZ-CG2 3.44Å; Y86-V90 WeakPolarHBondContact O-CG2 3.49Å; Y86-V90 PolarHBondContact O-N 3.07Å; Y86-E142 WeakPolarHBondContact OH-CB 3.36Å; Y86-E142 PolarHBondContact OH-OE2 2.66Å; Y86-V145 HydrophobicContact CD2-CB 4.49Å; Y86-V145 HydrophobicContact CD2-CG1 3.57Å; Y86-V145 HydrophobicContact CE2-CB 4.14Å; Y86-V145 HydrophobicContact CE2-CG1 3.7Å; Y86-R146 HydrophobicContact CD2-CG 4.31Å; Y86-R146 HydrophobicContact CE2-CG 3.49Å; Y86-R146 VanDerWaalsContact CE2-CG 3.49Å; Y86-R146 PolarHBondContact OH-NE 3.17Å; Y86-R146 PolarHBondContact OH-NH2 3.03Å; Y86-L149 HydrophobicContact CD2-CD1 4.09Å
87E95.9Very high92.8Very high116 Ų11674.9 Ų74.954%0.54239%0.386SS..Hα-helixtrans-61.9-41.2178.5-67.272.3-161.500112.1T85 Y89 V90 E91T85-E87 PolarHBondContact O-N 3.09Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 PolarHBondContact O-N 3.46Å; E87-V90 PolarHBondContact O-N 3.03Å; E87-E91 WeakPolarHBondContact O-CG 3.04Å; E87-E91 PolarHBondContact O-N 2.84Å
88D95.6Very high92.6Very high96 Ų9682.5 Ų82.551%0.51342%0.419SS..Hα-helixtrans-61.2-42.6178.5-62.1-47.4000111.7T85 Y86 G92T85-D88 WeakPolarHBondContact CB-OD2 3.42Å; T85-D88 PolarHBondContact N-OD2 2.82Å; T85-D88 WeakPolarHBondContact O-CB 3.41Å; T85-D88 PolarHBondContact O-N 3.35Å; T85-D88 PolarHBondContact OG1-N 3.17Å; T85-D88 PolarHBondContact OG1-OD2 2.77Å; Y86-D88 PolarHBondContact O-N 2.65Å; D88-G92 PolarHBondContact O-N 2.89Å
89Y95.6Very high92.6Very high111 Ų11188.4 Ų88.444%0.43544%0.44SS..Hα-helixtrans-67.3-41.8177.5-72.8-76.1000112.3Q83 T85 Y86 E87 G92 L93 V145 L149Q83-Y89 PolarHBondContact O-OH 3.04Å; T85-Y89 WeakPolarHBondContact O-CD2 3.3Å; T85-Y89 PolarHBondContact O-N 2.6Å; Y86-Y89 PolarHBondContact O-N 2.94Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 PolarHBondContact O-N 3.46Å; Y89-G92 PolarHBondContact O-N 3.06Å; Y89-L93 PolarHBondContact O-N 3.41Å; Y89-L93 VanDerWaalsContact O-N 3.11Å; Y89-V145 HydrophobicContact CG-CG1 4.38Å; Y89-L149 HydrophobicContact CD2-CD1 4.14Å; Y89-L149 HydrophobicContact CD2-CD2 4.21Å; Y89-L149 HydrophobicContact CE2-CD2 3.93Å
90V96.3Very high92.7Very high6 Ų685.7 Ų85.74%0.03645%0.446CS..Hα-helixtrans-64.5-46.6177.8170.60000111.2Y86 E87 G92 L93 R94 Y141 E142 V145Y86-V90 HydrophobicContact CD1-CG2 4.25Å; Y86-V90 HydrophobicContact CD2-CG2 4.34Å; Y86-V90 HydrophobicContact CE1-CG2 3.7Å; Y86-V90 HydrophobicContact CE2-CG2 3.8Å; Y86-V90 VanDerWaalsContact CZ-CG2 3.44Å; Y86-V90 WeakPolarHBondContact O-CG2 3.49Å; Y86-V90 PolarHBondContact O-N 3.07Å; E87-V90 PolarHBondContact O-N 3.03Å; V90-G92 VanDerWaalsContact C-N 3.29Å; V90-G92 PolarHBondContact O-N 3.04Å; V90-L93 PolarHBondContact O-N 2.75Å; V90-R94 WeakPolarHBondContact O-CB 3.4Å; V90-R94 PolarHBondContact O-N 2.94Å; V90-Y141 HydrophobicContact CG1-CD2 4.3Å; V90-Y141 HydrophobicContact CG1-CE2 3.92Å; V90-E142 HydrophobicContact CG1-CG 4.02Å; V90-E142 HydrophobicContact CG2-CG 4.2Å; V90-V145 HydrophobicContact CG2-CB 4.34Å; V90-V145 HydrophobicContact CG2-CG1 4.28Å; V90-V145 HydrophobicContact CG2-CG2 4.4Å
91E95.5Very high92.9Very high97 Ų9787.4 Ų87.445%0.45346%0.456SS..Hα-helixtrans-64.1-36.2177.1-67.5-57.6149.100111.7E87 L93 R94E87-E91 WeakPolarHBondContact O-CG 3.04Å; E87-E91 PolarHBondContact O-N 2.84Å; E91-L93 PolarHBondContact O-N 3.26Å; E91-R94 PolarHBondContact O-N 3.33Å; E91-R94 IonicContact OE1-CZ 3.49Å; E91-R94 VanDerWaalsContact OE1-CZ 3.31Å; E91-R94 IonicContact OE1-NH1 3.79Å; E91-R94 PolarHBondContact OE1-NH1 3.38Å; E91-R94 IonicContact OE1-NH2 2.89Å; E91-R94 IonicContact OE2-CZ 3.26Å; E91-R94 IonicContact OE2-NH1 2.65Å; E91-R94 PolarHBondContact OE2-NH1 3.5Å
92G94.3Very high93.6Very high40 Ų4078.6 Ų78.641%0.41242%0.422SS..Hα-helixtrans-59.9-42.7174.600000113.1D88 Y89 V90D88-G92 PolarHBondContact O-N 2.89Å; Y89-G92 PolarHBondContact O-N 3.06Å; V90-G92 VanDerWaalsContact C-N 3.29Å; V90-G92 PolarHBondContact O-N 3.04Å
93L94.8Very high94.1Very high31 Ų3173.6 Ų73.616%0.16240%0.396CS..Hα-helixtrans-78.7-29.6177.8-69.6175000113.1Y89 V90 E91 V95 F96 Y141 V145Y89-L93 PolarHBondContact O-N 3.41Å; Y89-L93 VanDerWaalsContact O-N 3.11Å; V90-L93 PolarHBondContact O-N 2.75Å; E91-L93 PolarHBondContact O-N 3.26Å; L93-V95 PolarHBondContact O-N 2.83Å; L93-V95 VanDerWaalsContact O-N 3.15Å; L93-F96 WeakPolarHBondContact O-CD2 3.32Å; L93-F96 PolarHBondContact O-N 3.16Å; L93-Y141 HydrophobicContact CB-CD2 4.09Å; L93-Y141 HydrophobicContact CB-CG 4.08Å; L93-V145 HydrophobicContact CD1-CG2 3.67Å
94R95.4Very high94.6Very high102 Ų10270.7 Ų70.739%0.38538%0.383SS..Hα-helixtrans-58.9-27177.4-176.7-179.4-71.5159.83.3112.9V90 E91 F96 D97 Y141V90-R94 WeakPolarHBondContact O-CB 3.4Å; V90-R94 PolarHBondContact O-N 2.94Å; E91-R94 PolarHBondContact O-N 3.33Å; E91-R94 IonicContact OE1-CZ 3.49Å; E91-R94 VanDerWaalsContact OE1-CZ 3.31Å; E91-R94 IonicContact OE1-NH1 3.79Å; E91-R94 PolarHBondContact OE1-NH1 3.38Å; E91-R94 IonicContact OE1-NH2 2.89Å; E91-R94 IonicContact OE2-CZ 3.26Å; E91-R94 IonicContact OE2-NH1 2.65Å; E91-R94 PolarHBondContact OE2-NH1 3.5Å; R94-F96 PolarHBondContact O-N 3.41Å; R94-D97 WeakPolarHBondContact O-CB 3.38Å; R94-D97 PolarHBondContact O-N 2.79Å; R94-Y141 HydrophobicContact CB-CE2 4.28Å
95V94.4Very high94.8Very high117 Ų11772.6 Ų72.671%0.70938%0.381SS*.THydrogen-bonded Turntrans-56.3-24.2174.6174.20000112.5L93L93-V95 PolarHBondContact O-N 2.83Å; L93-V95 VanDerWaalsContact O-N 3.15Å
96F93.7Very high94.9Very high54 Ų5469.3 Ų69.324%0.23736%0.361CS..THydrogen-bonded Turntrans-94.5-10.6178.1-53.6-74.5000113.6L93 R94 K98 V104 V112 L116L93-F96 WeakPolarHBondContact O-CD2 3.32Å; L93-F96 PolarHBondContact O-N 3.16Å; R94-F96 PolarHBondContact O-N 3.41Å; F96-K98 PolarHBondContact O-N 3.32Å; F96-K98 VanDerWaalsContact O-N 3.09Å; F96-V104 HydrophobicContact CB-CG1 3.75Å; F96-V104 HydrophobicContact CB-CG2 3.97Å; F96-V112 HydrophobicContact CD1-CG2 3.91Å; F96-V112 HydrophobicContact CD2-CG2 4.42Å; F96-V112 HydrophobicContact CE1-CG2 3.39Å; F96-V112 HydrophobicContact CE2-CG1 4.02Å; F96-V112 HydrophobicContact CE2-CG2 3.97Å; F96-V112 HydrophobicContact CG-CG2 4.4Å; F96-V112 HydrophobicContact CZ-CB 4.33Å; F96-V112 HydrophobicContact CZ-CG1 3.9Å; F96-V112 HydrophobicContact CZ-CG2 3.43Å; F96-V112 VanDerWaalsContact CZ-CG2 3.43Å; F96-L116 HydrophobicContact CZ-CD1 4.44Å
97D95.5Very high94.9Very high16 Ų1669.7 Ų69.79%0.08638%0.376CS..  trans-80.987.3176.4-178.81.1000110.2R94 E99 G100 N101 G102 V104 Y141R94-D97 WeakPolarHBondContact O-CB 3.38Å; R94-D97 PolarHBondContact O-N 2.79Å; D97-E99 PolarHBondContact O-N 2.91Å; D97-E99 PolarHBondContact OD1-N 3.32Å; D97-G100 PolarHBondContact O-N 3.07Å; D97-G100 WeakPolarHBondContact OD1-CA 3.32Å; D97-G100 PolarHBondContact OD1-N 2.78Å; D97-G100 WeakPolarHBondContact OD2-CA 3.33Å; D97-N101 PolarHBondContact OD1-N 3.4Å; D97-N101 VanDerWaalsContact OD1-N 3.17Å; D97-N101 PolarHBondContact OD2-N 3.21Å; D97-N101 VanDerWaalsContact OD2-N 3.11Å; D97-G102 PolarHBondContact OD2-N 3.17Å; D97-V104 HydrophobicContact CB-CG2 4.03Å; D97-Y141 HydrophobicContact CB-CE1 3.75Å; D97-Y141 WeakPolarHBondContact OD2-CE1 3.37Å; D97-Y141 PolarHBondContact OD2-OH 3.12Å
98K91.3Very high94.8Very high165 Ų16567 Ų6772%0.71736%0.363SS*.SBendtrans-67.3-25.3-177.6-64.7174.6-168.6150.30113.2F96 E108F96-K98 PolarHBondContact O-N 3.32Å; F96-K98 VanDerWaalsContact O-N 3.09Å; K98-E108 WeakPolarHBondContact CE-OE1 3.46Å; K98-E108 IonicContact NZ-OE1 3Å; K98-E108 PolarHBondContact NZ-OE1 3.42Å
99E91.9Very high94.8Very high161 Ų16162.6 Ų62.675%0.75234%0.34SS*.SBendtrans-96.8-14.2-175.4-60.6-165.9139.200112.5D97 N101D97-E99 PolarHBondContact O-N 2.91Å; D97-E99 PolarHBondContact OD1-N 3.32Å; E99-N101 VanDerWaalsContact C-N 3.28Å; E99-N101 HydrophobicContact CB-CB 4.38Å; E99-N101 PolarHBondContact OE2-ND2 2.96Å
100G93.7Very high94.8Very high64 Ų6459.9 Ų59.966%0.6633%0.329SS*.SBendtrans66.829.2-176.700000112.7D97D97-G100 PolarHBondContact O-N 3.07Å; D97-G100 WeakPolarHBondContact OD1-CA 3.32Å; D97-G100 PolarHBondContact OD1-N 2.78Å; D97-G100 WeakPolarHBondContact OD2-CA 3.33Å
101N94Very high94.8Very high86 Ų8665.3 Ų65.346%0.4635%0.354SS..SBendtrans-100.20.5-172.571.110.3000113.5D97 E99 T103D97-N101 PolarHBondContact OD1-N 3.4Å; D97-N101 VanDerWaalsContact OD1-N 3.17Å; D97-N101 PolarHBondContact OD2-N 3.21Å; D97-N101 VanDerWaalsContact OD2-N 3.11Å; E99-N101 VanDerWaalsContact C-N 3.28Å; E99-N101 HydrophobicContact CB-CB 4.38Å; E99-N101 PolarHBondContact OE2-ND2 2.96Å; N101-T103 PolarHBondContact ND2-OG1 3.45Å; N101-T103 WeakPolarHBondContact OD1-CB 3.36Å; N101-T103 PolarHBondContact OD1-N 2.97Å; N101-T103 PolarHBondContact OD1-O 3.49Å; N101-T103 PolarHBondContact OD1-OG1 2.67Å
102G95.4Very high94.7Very high16 Ų1661.8 Ų61.817%0.16534%0.339CS..SBendtrans86.610.4-178.100000114.1D97 Y141D97-G102 PolarHBondContact OD2-N 3.17Å; G102-Y141 WeakPolarHBondContact O-CD1 3.45Å; G102-Y141 WeakPolarHBondContact O-CE1 3.41Å
103T96.8Very high94.8Very high34 Ų3462 Ų6221%0.20933%0.33CS..EExtended strand (participates in β ladder)trans-131.1152.4178.870.60000112.3N101 I139N101-T103 PolarHBondContact ND2-OG1 3.45Å; N101-T103 WeakPolarHBondContact OD1-CB 3.36Å; N101-T103 PolarHBondContact OD1-N 2.97Å; N101-T103 PolarHBondContact OD1-O 3.49Å; N101-T103 PolarHBondContact OD1-OG1 2.67Å; T103-I139 CarbonylContact C-O 3.59Å; T103-I139 VanDerWaalsContact CA-O 3.24Å; T103-I139 WeakPolarHBondContact CA-O 3.49Å
104V96.8Very high94.9Very high3 Ų362.4 Ų62.42%0.01833%0.334CS..EExtended strand (participates in β ladder)trans-129.7146.7173.91760000108.4F96 D97 G106 E108 I109 I139 Y141F96-V104 HydrophobicContact CB-CG1 3.75Å; F96-V104 HydrophobicContact CB-CG2 3.97Å; D97-V104 HydrophobicContact CB-CG2 4.03Å; V104-G106 PolarHBondContact O-N 2.77Å; V104-E108 HydrophobicContact CG1-CB 3.93Å; V104-I109 HydrophobicContact CB-CD1 4.17Å; V104-I109 HydrophobicContact CB-CG1 4.06Å; V104-I109 HydrophobicContact CG1-CD1 4.41Å; V104-I109 HydrophobicContact CG1-CG1 3.75Å; V104-I139 PolarHBondContact N-O 3.47Å; V104-I139 PolarHBondContact O-N 3.25Å; V104-Y141 HydrophobicContact CG2-CD1 3.74Å; V104-Y141 HydrophobicContact CG2-CE1 4.17Å
105M96Very high94.8Very high83 Ų8360 Ų6041%0.40933%0.331SS..EExtended strand (participates in β ladder)trans-59.2129.4175.4-173.1636000109.8A107 E108 I109M105-A107 HydrophobicContact CG-CB 4.06Å; M105-A107 PolarHBondContact O-N 3.25Å; M105-A107 VanDerWaalsContact O-N 3.14Å; M105-E108 HydrophobicContact CB-CB 4.27Å; M105-E108 HydrophobicContact CB-CG 4.01Å; M105-E108 WeakPolarHBondContact CB-OE2 3.49Å; M105-E108 WeakPolarHBondContact O-CA 3.48Å; M105-E108 WeakPolarHBondContact O-CB 3.16Å; M105-E108 PolarHBondContact O-N 3.15Å; M105-I109 PolarHBondContact O-N 3.14Å; M105-I109 VanDerWaalsContact O-N 3.15Å
106G95.2Very high94.7Very high0 Ų059.6 Ų59.60%032%0.324CS..Hα-helixtrans-58-33-178.700000112.7V104 E108 I109 R110 G137V104-G106 PolarHBondContact O-N 2.77Å; G106-E108 VanDerWaalsContact C-N 3.33Å; G106-E108 PolarHBondContact O-N 3.31Å; G106-I109 PolarHBondContact O-N 3.38Å; G106-R110 WeakPolarHBondContact O-CG 3.4Å; G106-R110 PolarHBondContact O-N 2.91Å; G106-R110 PolarHBondContact O-NH1 3.2Å; G106-G137 PolarHBondContact N-O 3.35Å
107A94.7Very high94.7Very high65 Ų6560.7 Ų60.754%0.53735%0.351SS..Hα-helixtrans-63.4-34.9172.700000113.1M105 H111M105-A107 HydrophobicContact CG-CB 4.06Å; M105-A107 PolarHBondContact O-N 3.25Å; M105-A107 VanDerWaalsContact O-N 3.14Å; A107-H111 WeakPolarHBondContact O-CB 3.39Å; A107-H111 PolarHBondContact O-N 3.36Å
108E94.6Very high94.6Very high59 Ų5964 Ų6428%0.27637%0.366SS..Hα-helixtrans-71.3-43.7176.4-70.5-178.6129.400110.9K98 V104 M105 G106 R110 H111 V112K98-E108 WeakPolarHBondContact CE-OE1 3.46Å; K98-E108 IonicContact NZ-OE1 3Å; K98-E108 PolarHBondContact NZ-OE1 3.42Å; V104-E108 HydrophobicContact CG1-CB 3.93Å; M105-E108 HydrophobicContact CB-CB 4.27Å; M105-E108 HydrophobicContact CB-CG 4.01Å; M105-E108 WeakPolarHBondContact CB-OE2 3.49Å; M105-E108 WeakPolarHBondContact O-CA 3.48Å; M105-E108 WeakPolarHBondContact O-CB 3.16Å; M105-E108 PolarHBondContact O-N 3.15Å; G106-E108 VanDerWaalsContact C-N 3.33Å; G106-E108 PolarHBondContact O-N 3.31Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 3.42Å; E108-H111 PolarHBondContact O-N 3.39Å; E108-V112 WeakPolarHBondContact O-CB 3.44Å; E108-V112 VanDerWaalsContact O-CG2 3.28Å; E108-V112 WeakPolarHBondContact O-CG2 3.44Å; E108-V112 PolarHBondContact O-N 3.26Å
109I94.9Very high94.8Very high4 Ų463.1 Ų63.12%0.02136%0.362CS..Hα-helixtrans-58.2-47.4174.2-64.2-170.3000110.5V104 M105 G106 H111 V112 L113 V129 I139 L144V104-I109 HydrophobicContact CB-CD1 4.17Å; V104-I109 HydrophobicContact CB-CG1 4.06Å; V104-I109 HydrophobicContact CG1-CD1 4.41Å; V104-I109 HydrophobicContact CG1-CG1 3.75Å; M105-I109 PolarHBondContact O-N 3.14Å; M105-I109 VanDerWaalsContact O-N 3.15Å; G106-I109 PolarHBondContact O-N 3.38Å; I109-H111 VanDerWaalsContact C-N 3.34Å; I109-H111 PolarHBondContact O-N 3.44Å; I109-V112 PolarHBondContact O-N 3.47Å; I109-L113 HydrophobicContact CG2-CD1 3.78Å; I109-L113 HydrophobicContact CG2-CG 4.35Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 2.98Å; I109-V129 HydrophobicContact CG2-CG1 4.15Å; I109-I139 HydrophobicContact CD1-CB 3.84Å; I109-I139 HydrophobicContact CD1-CD1 4.15Å; I109-I139 HydrophobicContact CD1-CG2 3.9Å; I109-L144 HydrophobicContact CD1-CD2 4.13Å; I109-L144 HydrophobicContact CG2-CD2 4.38Å
110R95.9Very high95Very high55 Ų5558.2 Ų58.221%0.20834%0.34CS..Hα-helixtrans-56.7-49.6177.1-76.9-178.9-173.373.5-12.9111.9G106 E108 V112 L113 V114 V125 E126 V129 E133G106-R110 WeakPolarHBondContact O-CG 3.4Å; G106-R110 PolarHBondContact O-N 2.91Å; G106-R110 PolarHBondContact O-NH1 3.2Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 3.42Å; R110-V112 VanDerWaalsContact C-N 3.31Å; R110-V112 PolarHBondContact O-N 3.41Å; R110-L113 PolarHBondContact O-N 3.04Å; R110-V114 WeakPolarHBondContact O-CG2 3.47Å; R110-V114 PolarHBondContact O-N 3.27Å; R110-V125 HydrophobicContact CB-CG1 4.08Å; R110-V125 HydrophobicContact CG-CG1 3.64Å; R110-E126 IonicContact CZ-OE2 2.92Å; R110-E126 IonicContact NE-OE2 2.63Å; R110-E126 PolarHBondContact NE-OE2 3.41Å; R110-E126 IonicContact NH2-OE1 3.31Å; R110-E126 IonicContact NH2-OE2 3.68Å; R110-E126 PolarHBondContact NH2-OE2 2.95Å; R110-V129 HydrophobicContact CG-CG2 4.32Å; R110-V129 VanDerWaalsContact NH2-CG2 3.29Å; R110-E133 IonicContact CZ-OE1 3.72Å; R110-E133 IonicContact NH1-OE1 2.62Å; R110-E133 PolarHBondContact NH1-OE1 2.89Å; R110-E133 IonicContact NH2-OE1 3.61Å; R110-E133 PolarHBondContact NH2-OE1 3.15Å
111H95.5Very high95.1Very high119 Ų11958.5 Ų58.555%0.55133%0.329SS*.Hα-helixtrans-60.5-42.3-179.2-173.968.3000112A107 E108 I109 V114 T115A107-H111 WeakPolarHBondContact O-CB 3.39Å; A107-H111 PolarHBondContact O-N 3.36Å; E108-H111 PolarHBondContact O-N 3.39Å; I109-H111 VanDerWaalsContact C-N 3.34Å; I109-H111 PolarHBondContact O-N 3.44Å; H111-V114 WeakPolarHBondContact O-CG2 3.42Å; H111-T115 WeakPolarHBondContact O-CB 3.35Å; H111-T115 VanDerWaalsContact O-CG2 3.26Å; H111-T115 WeakPolarHBondContact O-CG2 3.44Å; H111-T115 PolarHBondContact O-N 3.37Å; H111-T115 PolarHBondContact O-OG1 3.05Å
112V94.6Very high95.2Very high23 Ų2361.5 Ų61.514%0.13934%0.34CS..Hα-helixtrans-62-48.8179.1166.20000111.1F96 E108 I109 R110 V114 T115 L116F96-V112 HydrophobicContact CD1-CG2 3.91Å; F96-V112 HydrophobicContact CD2-CG2 4.42Å; F96-V112 HydrophobicContact CE1-CG2 3.39Å; F96-V112 HydrophobicContact CE2-CG1 4.02Å; F96-V112 HydrophobicContact CE2-CG2 3.97Å; F96-V112 HydrophobicContact CG-CG2 4.4Å; F96-V112 HydrophobicContact CZ-CB 4.33Å; F96-V112 HydrophobicContact CZ-CG1 3.9Å; F96-V112 HydrophobicContact CZ-CG2 3.43Å; F96-V112 VanDerWaalsContact CZ-CG2 3.43Å; E108-V112 WeakPolarHBondContact O-CB 3.44Å; E108-V112 VanDerWaalsContact O-CG2 3.28Å; E108-V112 WeakPolarHBondContact O-CG2 3.44Å; E108-V112 PolarHBondContact O-N 3.26Å; I109-V112 PolarHBondContact O-N 3.47Å; R110-V112 VanDerWaalsContact C-N 3.31Å; R110-V112 PolarHBondContact O-N 3.41Å; V112-V114 VanDerWaalsContact C-N 3.33Å; V112-V114 PolarHBondContact O-N 3.22Å; V112-T115 PolarHBondContact O-N 3.45Å; V112-T115 PolarHBondContact O-OG1 3.15Å; V112-L116 HydrophobicContact CG1-CD1 4.18Å; V112-L116 PolarHBondContact O-N 3.19Å
113L95.6Very high95.2Very high45 Ų4567.1 Ų67.124%0.23636%0.362CS..Hα-helixtrans-68-27.8-175.6-67.3174.2000113.9I109 R110 M120 V125 L128I109-L113 HydrophobicContact CG2-CD1 3.78Å; I109-L113 HydrophobicContact CG2-CG 4.35Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 2.98Å; R110-L113 PolarHBondContact O-N 3.04Å; L113-M120 HydrophobicContact CB-SD 4.25Å; L113-M120 HydrophobicContact CD1-SD 4.46Å; L113-M120 HydrophobicContact CD2-SD 4.27Å; L113-M120 PolarHBondContact O-N 2.88Å; L113-V125 HydrophobicContact CB-CG1 4.35Å; L113-V125 HydrophobicContact CB-CG2 3.65Å; L113-V125 HydrophobicContact CD1-CG1 4.14Å; L113-V125 HydrophobicContact CD1-CG2 4.37Å; L113-L128 HydrophobicContact CD1-CD2 3.71Å
114V96.5Very high95.2Very high40 Ų4069.8 Ų69.824%0.24237%0.372CS..Hα-helixtrans-88.2-11.4175.5-54.70000113.7R110 H111 V112 K119 E122 V125R110-V114 WeakPolarHBondContact O-CG2 3.47Å; R110-V114 PolarHBondContact O-N 3.27Å; H111-V114 WeakPolarHBondContact O-CG2 3.42Å; V112-V114 VanDerWaalsContact C-N 3.33Å; V112-V114 PolarHBondContact O-N 3.22Å; V114-K119 WeakPolarHBondContact O-CD 3.41Å; V114-K119 WeakPolarHBondContact O-CG 3.26Å; V114-E122 HydrophobicContact CG1-CG 4.45Å; V114-V125 HydrophobicContact CG1-CB 4.41Å; V114-V125 HydrophobicContact CG1-CG2 3.72Å
115T93.4Very high95.1Very high52 Ų5269.8 Ų69.832%0.31937%0.372SS..Hα-helixtrans-115-38.5-17459.10000115.1H111 V112 K119H111-T115 WeakPolarHBondContact O-CB 3.35Å; H111-T115 VanDerWaalsContact O-CG2 3.26Å; H111-T115 WeakPolarHBondContact O-CG2 3.44Å; H111-T115 PolarHBondContact O-N 3.37Å; H111-T115 PolarHBondContact O-OG1 3.05Å; V112-T115 PolarHBondContact O-N 3.45Å; V112-T115 PolarHBondContact O-OG1 3.15Å; T115-K119 WeakPolarHBondContact O-CE 3.36Å
116L93.1Very high95.1Very high107 Ų10770.3 Ų70.356%0.5637%0.373SS*.SBendtrans-100.9148.5-172.6-59.7-174.4000111.7F96 V112F96-L116 HydrophobicContact CZ-CD1 4.44Å; V112-L116 HydrophobicContact CG1-CD1 4.18Å; V112-L116 PolarHBondContact O-N 3.19Å
117G93Very high95Very high78 Ų7877.2 Ų77.280%0.80441%0.408SS*.SBendtrans65.6-140.3176.900000113.7K119G117-K119 PolarHBondContact O-N 2.8Å
118E93.3Very high94.9Very high86 Ų8676 Ų7640%0.40239%0.392SS..SBendtrans-79.8100.7169.6-65.3-169160.300109N45 A46 M120N45-E118 WeakPolarHBondContact CB-OE2 3.4Å; N45-E118 PolarHBondContact N-OE1 2.92Å; N45-E118 PolarHBondContact N-OE2 2.65Å; N45-E118 PolarHBondContact ND2-OE2 3.31Å; A46-E118 WeakPolarHBondContact CB-OE1 3.43Å; A46-E118 PolarHBondContact N-OE1 2.94Å; E118-M120 PolarHBondContact O-N 3.07Å
119K95.6Very high94.8Very high145 Ų14573.2 Ų73.263%0.6338%0.379SS*.PPolyproline II helixtrans-62133.5-172.2-58.5176.8-177.9-175.90111.5V114 T115 G117V114-K119 WeakPolarHBondContact O-CD 3.41Å; V114-K119 WeakPolarHBondContact O-CG 3.26Å; T115-K119 WeakPolarHBondContact O-CE 3.36Å; G117-K119 PolarHBondContact O-N 2.8Å
120M96Very high94.6Very high59 Ų5975.6 Ų75.629%0.29140%0.399SS..PPolyproline II helixtrans-87.1155.6166.6-64174.969.400110.5L113 E118 E124 V125 L128L113-M120 HydrophobicContact CB-SD 4.25Å; L113-M120 HydrophobicContact CD1-SD 4.46Å; L113-M120 HydrophobicContact CD2-SD 4.27Å; L113-M120 PolarHBondContact O-N 2.88Å; E118-M120 PolarHBondContact O-N 3.07Å; M120-E124 HydrophobicContact CB-CB 4.29Å; M120-E124 HydrophobicContact CE-CB 3.7Å; M120-V125 HydrophobicContact CB-CG2 3.52Å; M120-V125 HydrophobicContact CE-CG2 4.21Å; M120-V125 HydrophobicContact CG-CG2 4.43Å; M120-V125 HydrophobicContact SD-CG2 4.17Å; M120-L128 HydrophobicContact CE-CD2 4.37Å
121T96.4Very high94.3Very high69 Ų6977 Ų7742%0.42343%0.43SS..PPolyproline II helixtrans-72.6157.7167.859.90000110.8E123 E124 V125T121-E123 PolarHBondContact O-N 3.32Å; T121-E124 WeakPolarHBondContact CB-OE2 3.29Å; T121-E124 PolarHBondContact N-OE2 2.95Å; T121-E124 PolarHBondContact O-N 3.39Å; T121-E124 WeakPolarHBondContact OG1-CB 3.23Å; T121-E124 WeakPolarHBondContact OG1-CG 3.36Å; T121-E124 PolarHBondContact OG1-N 3.46Å; T121-E124 PolarHBondContact OG1-OE2 2.83Å; T121-V125 WeakPolarHBondContact O-CG2 3.24Å; T121-V125 PolarHBondContact O-N 3.49Å
122E95.4Very high94.2Very high150 Ų15074.5 Ų74.570%0.70142%0.418SS*.Hα-helixtrans-59.5-36.6178.1-67.2-173.8-17800111.2V114 V125 E126V114-E122 HydrophobicContact CG1-CG 4.45Å; E122-V125 PolarHBondContact O-N 2.82Å; E122-E126 WeakPolarHBondContact O-CB 3.15Å; E122-E126 PolarHBondContact O-N 2.97Å
123E96.8Very high94.3Very high133 Ų13377.1 Ų77.162%0.62143%0.429SS*.Hα-helixtrans-65.6-45.1177.6-63.480-17700112.5T121 V125 E126 M127T121-E123 PolarHBondContact O-N 3.32Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.26Å; E123-E126 PolarHBondContact O-N 3.11Å; E123-M127 WeakPolarHBondContact O-CG 3.48Å; E123-M127 PolarHBondContact O-N 3.02Å
124E95.4Very high94.2Very high91 Ų9178.6 Ų78.643%0.42544%0.438SS..Hα-helixtrans-62.4-41.1176.2-74.2165.2142.900111.8M120 T121 M127 L128M120-E124 HydrophobicContact CB-CB 4.29Å; M120-E124 HydrophobicContact CE-CB 3.7Å; T121-E124 WeakPolarHBondContact CB-OE2 3.29Å; T121-E124 PolarHBondContact N-OE2 2.95Å; T121-E124 PolarHBondContact O-N 3.39Å; T121-E124 WeakPolarHBondContact OG1-CB 3.23Å; T121-E124 WeakPolarHBondContact OG1-CG 3.36Å; T121-E124 PolarHBondContact OG1-N 3.46Å; T121-E124 PolarHBondContact OG1-OE2 2.83Å; E124-M127 HydrophobicContact CB-CE 4.5Å; E124-M127 HydrophobicContact CG-CE 4.25Å; E124-M127 PolarHBondContact O-N 2.96Å; E124-L128 PolarHBondContact O-N 2.98Å
125V95.8Very high94.1Very high3 Ų382.8 Ų82.82%0.01847%0.469CS..Hα-helixtrans-66.3-43.7177.4175.70000110.8R110 L113 V114 M120 T121 E122 E123 M127 L128 V129R110-V125 HydrophobicContact CB-CG1 4.08Å; R110-V125 HydrophobicContact CG-CG1 3.64Å; L113-V125 HydrophobicContact CB-CG1 4.35Å; L113-V125 HydrophobicContact CB-CG2 3.65Å; L113-V125 HydrophobicContact CD1-CG1 4.14Å; L113-V125 HydrophobicContact CD1-CG2 4.37Å; V114-V125 HydrophobicContact CG1-CB 4.41Å; V114-V125 HydrophobicContact CG1-CG2 3.72Å; M120-V125 HydrophobicContact CB-CG2 3.52Å; M120-V125 HydrophobicContact CE-CG2 4.21Å; M120-V125 HydrophobicContact CG-CG2 4.43Å; M120-V125 HydrophobicContact SD-CG2 4.17Å; T121-V125 WeakPolarHBondContact O-CG2 3.24Å; T121-V125 PolarHBondContact O-N 3.49Å; E122-V125 PolarHBondContact O-N 2.82Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 3.26Å; V125-M127 VanDerWaalsContact C-N 3.31Å; V125-M127 PolarHBondContact O-N 2.92Å; V125-L128 WeakPolarHBondContact O-CB 3.49Å; V125-L128 PolarHBondContact O-N 3.5Å; V125-L128 VanDerWaalsContact O-N 3.08Å; V125-V129 HydrophobicContact CG1-CG1 4.45Å; V125-V129 VanDerWaalsContact O-CG2 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.49Å; V125-V129 PolarHBondContact O-N 2.95Å
126E94.6Very high94Very high93 Ų9386.4 Ų86.444%0.43549%0.486SS..Hα-helixtrans-63.2-39.6179.3-169.958.3-154.700111.4R110 E122 E123 L128 V129 A130R110-E126 IonicContact CZ-OE2 2.92Å; R110-E126 IonicContact NE-OE2 2.63Å; R110-E126 PolarHBondContact NE-OE2 3.41Å; R110-E126 IonicContact NH2-OE1 3.31Å; R110-E126 IonicContact NH2-OE2 3.68Å; R110-E126 PolarHBondContact NH2-OE2 2.95Å; E122-E126 WeakPolarHBondContact O-CB 3.15Å; E122-E126 PolarHBondContact O-N 2.97Å; E123-E126 PolarHBondContact O-N 3.11Å; E126-L128 PolarHBondContact O-N 3.23Å; E126-V129 PolarHBondContact O-N 2.95Å; E126-A130 WeakPolarHBondContact O-CB 3.4Å; E126-A130 PolarHBondContact O-N 2.68Å
127M93.1Very high94.1Very high146 Ų14682.2 Ų82.272%0.71947%0.468SS*.Hα-helixtrans-60.1-34.1173.3-72.5-172-64.300113E123 E124 V125E123-M127 WeakPolarHBondContact O-CG 3.48Å; E123-M127 PolarHBondContact O-N 3.02Å; E124-M127 HydrophobicContact CB-CE 4.5Å; E124-M127 HydrophobicContact CG-CE 4.25Å; E124-M127 PolarHBondContact O-N 2.96Å; V125-M127 VanDerWaalsContact C-N 3.31Å; V125-M127 PolarHBondContact O-N 2.92Å
128L93.3Very high94.2Very high40 Ų4079.6 Ų79.621%0.20944%0.437CS..Hα-helixtrans-74.7-40.3179.8173.363.9000112.9L113 M120 E124 V125 E126 H132 L144 M147 V148L113-L128 HydrophobicContact CD1-CD2 3.71Å; M120-L128 HydrophobicContact CE-CD2 4.37Å; E124-L128 PolarHBondContact O-N 2.98Å; V125-L128 WeakPolarHBondContact O-CB 3.49Å; V125-L128 PolarHBondContact O-N 3.5Å; V125-L128 VanDerWaalsContact O-N 3.08Å; E126-L128 PolarHBondContact O-N 3.23Å; L128-H132 PolarHBondContact O-CD2 3.42Å; L128-L144 HydrophobicContact CD1-CD1 4.32Å; L128-L144 HydrophobicContact CG-CD1 4.45Å; L128-M147 HydrophobicContact CD1-CE 3.79Å; L128-V148 HydrophobicContact CD1-CG2 3.45Å; L128-V148 VanDerWaalsContact CD1-CG2 3.45Å
129V92.8Very high94.4Very high0 Ų075.5 Ų75.50%042%0.418CS..Hα-helixtrans-96.8-16.2-172.2-57.70000113.7I109 R110 V125 E126 G131 H132 I139I109-V129 HydrophobicContact CG2-CG1 4.15Å; R110-V129 HydrophobicContact CG-CG2 4.32Å; R110-V129 VanDerWaalsContact NH2-CG2 3.29Å; V125-V129 HydrophobicContact CG1-CG1 4.45Å; V125-V129 VanDerWaalsContact O-CG2 3.3Å; V125-V129 WeakPolarHBondContact O-CG2 3.49Å; V125-V129 PolarHBondContact O-N 2.95Å; E126-V129 PolarHBondContact O-N 2.95Å; V129-G131 PolarHBondContact O-N 3.42Å; V129-H132 WeakPolarHBondContact O-CB 3.34Å; V129-H132 PolarHBondContact O-N 2.84Å; V129-I139 HydrophobicContact CB-CD1 3.89Å; V129-I139 HydrophobicContact CG1-CD1 4.05Å
130A90.4Very high94.5Very high54 Ų5471.1 Ų71.145%0.44640%0.402SS..THydrogen-bonded Turntrans-56.9125-179.500000111.4E126 H132E126-A130 WeakPolarHBondContact O-CB 3.4Å; E126-A130 PolarHBondContact O-N 2.68Å; A130-H132 VanDerWaalsContact C-N 3.34Å
131G90.7Very high94.5Very high83 Ų8368.5 Ų68.586%0.85639%0.389SS*.THydrogen-bonded Turntrans84.8-0.618000000115.4V129V129-G131 PolarHBondContact O-N 3.42Å
132H93.6Very high94.5Very high67 Ų6768.1 Ų68.131%0.3138%0.382SS..  trans-100.2-5.3176.6-67.4-74.8000114.2L128 V129 A130 I139 M147L128-H132 PolarHBondContact O-CD2 3.42Å; V129-H132 WeakPolarHBondContact O-CB 3.34Å; V129-H132 PolarHBondContact O-N 2.84Å; A130-H132 VanDerWaalsContact C-N 3.34Å; H132-I139 HydrophobicContact CB-CG2 4.27Å; H132-M147 VanDerWaalsContact NE2-CE 3.34Å; H132-M147 WeakPolarHBondContact NE2-CE 3.28Å
133E94.9Very high94.5Very high79 Ų7966.6 Ų66.637%0.36938%0.375SS..BIsolated β-bridgetrans-81.7135.9175.7-73.5-177.2-17400112.4R110 C138 I139R110-E133 IonicContact CZ-OE1 3.72Å; R110-E133 IonicContact NH1-OE1 2.62Å; R110-E133 PolarHBondContact NH1-OE1 2.89Å; R110-E133 IonicContact NH2-OE1 3.61Å; R110-E133 PolarHBondContact NH2-OE1 3.15Å; E133-C138 WeakPolarHBondContact CA-O 3.5Å; E133-I139 HydrophobicContact CG-CD1 3.88Å; E133-I139 HydrophobicContact CG-CG1 3.61Å
134D94.1Very high94.4Very high76 Ų7660.6 Ų60.641%0.40635%0.347SS..  trans-78-178.1169.378.41.1000112.1N136 G137 C138D134-N136 PolarHBondContact O-N 3.11Å; D134-N136 VanDerWaalsContact O-N 3.07Å; D134-N136 VanDerWaalsContact OD1-CA 3.29Å; D134-N136 WeakPolarHBondContact OD1-CA 3.45Å; D134-N136 WeakPolarHBondContact OD1-CB 3.46Å; D134-N136 PolarHBondContact OD1-N 3.42Å; D134-G137 PolarHBondContact O-N 3.28Å; D134-G137 PolarHBondContact OD1-N 3.3Å; D134-C138 PolarHBondContact N-O 3.47Å; D134-C138 PolarHBondContact OD1-N 3.06Å
135S93.9Very high94.4Very high128 Ų12856.7 Ų56.790%0.89533%0.33SS*.THydrogen-bonded Turntrans-64-12.8179.4-54.50000114.6
136N92.6Very high94.4Very high128 Ų12861.7 Ų61.768%0.68435%0.348SS*.THydrogen-bonded Turntrans-101.10.3177.7-54.5-49000112.3D134 C138D134-N136 PolarHBondContact O-N 3.11Å; D134-N136 VanDerWaalsContact O-N 3.07Å; D134-N136 VanDerWaalsContact OD1-CA 3.29Å; D134-N136 WeakPolarHBondContact OD1-CA 3.45Å; D134-N136 WeakPolarHBondContact OD1-CB 3.46Å; D134-N136 PolarHBondContact OD1-N 3.42Å; N136-C138 VanDerWaalsContact C-N 3.32Å
137G94.4Very high94.3Very high18 Ų1860.7 Ų60.719%0.18634%0.344CS..SBendtrans76.418.8-17500000113.5G106 D134G106-G137 PolarHBondContact N-O 3.35Å; D134-G137 PolarHBondContact O-N 3.28Å; D134-G137 PolarHBondContact OD1-N 3.3Å
138C96.2Very high94.3Very high23 Ų2357.4 Ų57.416%0.15533%0.332CS..EExtended strand (participates in β ladder)trans-95.4147.8176.8-67.30000110.8E133 D134 N136E133-C138 WeakPolarHBondContact CA-O 3.5Å; D134-C138 PolarHBondContact N-O 3.47Å; D134-C138 PolarHBondContact OD1-N 3.06Å; N136-C138 VanDerWaalsContact C-N 3.32Å
139I97.2Very high94.3Very high1 Ų159 Ų591%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-117.6131.4179.2-62.1179.6000108.8T103 V104 I109 V129 H132 E133 Y141 L144T103-I139 CarbonylContact C-O 3.59Å; T103-I139 VanDerWaalsContact CA-O 3.24Å; T103-I139 WeakPolarHBondContact CA-O 3.49Å; V104-I139 PolarHBondContact N-O 3.47Å; V104-I139 PolarHBondContact O-N 3.25Å; I109-I139 HydrophobicContact CD1-CB 3.84Å; I109-I139 HydrophobicContact CD1-CD1 4.15Å; I109-I139 HydrophobicContact CD1-CG2 3.9Å; V129-I139 HydrophobicContact CB-CD1 3.89Å; V129-I139 HydrophobicContact CG1-CD1 4.05Å; H132-I139 HydrophobicContact CB-CG2 4.27Å; E133-I139 HydrophobicContact CG-CD1 3.88Å; E133-I139 HydrophobicContact CG-CG1 3.61Å; I139-Y141 PolarHBondContact O-N 3.44Å; I139-L144 HydrophobicContact CG2-CB 4.23Å; I139-L144 HydrophobicContact CG2-CD2 4.21Å
140N97.3Very high94Very high52 Ų5265.5 Ų65.528%0.27838%0.375SS..EExtended strand (participates in β ladder)trans-73.6107.4167.4-176.2-45.5000109.2E142 E143 L144N140-E142 VanDerWaalsContact C-N 3.34Å; N140-E142 PolarHBondContact O-N 3.02Å; N140-E142 WeakPolarHBondContact OD1-CB 3.38Å; N140-E142 PolarHBondContact OD1-N 3.21Å; N140-E142 VanDerWaalsContact OD1-N 3.11Å; N140-E143 HydrophobicContact CB-CB 4.13Å; N140-E143 HydrophobicContact CB-CG 4.22Å; N140-E143 PolarHBondContact O-N 3.3Å; N140-E143 PolarHBondContact OD1-N 2.8Å; N140-L144 PolarHBondContact O-N 2.9Å
141Y96Very high93.3Very high5 Ų569.1 Ų69.12%0.0242%0.418CS..Hα-helixtrans-72.3-27.2-173.656-96000113.2V90 L93 R94 D97 G102 V104 I139 L144 V145V90-Y141 HydrophobicContact CG1-CD2 4.3Å; V90-Y141 HydrophobicContact CG1-CE2 3.92Å; L93-Y141 HydrophobicContact CB-CD2 4.09Å; L93-Y141 HydrophobicContact CB-CG 4.08Å; R94-Y141 HydrophobicContact CB-CE2 4.28Å; D97-Y141 HydrophobicContact CB-CE1 3.75Å; D97-Y141 WeakPolarHBondContact OD2-CE1 3.37Å; D97-Y141 PolarHBondContact OD2-OH 3.12Å; G102-Y141 WeakPolarHBondContact O-CD1 3.45Å; G102-Y141 WeakPolarHBondContact O-CE1 3.41Å; V104-Y141 HydrophobicContact CG2-CD1 3.74Å; V104-Y141 HydrophobicContact CG2-CE1 4.17Å; I139-Y141 PolarHBondContact O-N 3.44Å; Y141-L144 PolarHBondContact O-N 3.31Å; Y141-V145 VanDerWaalsContact O-CG2 3.23Å; Y141-V145 WeakPolarHBondContact O-CG2 3.38Å; Y141-V145 PolarHBondContact O-N 3.09Å
142E96.2Very high93.4Very high60 Ų6068.4 Ų68.428%0.2840%0.396SS..Hα-helixtrans-67.7-43.6173.9-71.9-167.3-16100111.6Y86 V90 N140 L144 V145 R146Y86-E142 WeakPolarHBondContact OH-CB 3.36Å; Y86-E142 PolarHBondContact OH-OE2 2.66Å; V90-E142 HydrophobicContact CG1-CG 4.02Å; V90-E142 HydrophobicContact CG2-CG 4.2Å; N140-E142 VanDerWaalsContact C-N 3.34Å; N140-E142 PolarHBondContact O-N 3.02Å; N140-E142 WeakPolarHBondContact OD1-CB 3.38Å; N140-E142 PolarHBondContact OD1-N 3.21Å; N140-E142 VanDerWaalsContact OD1-N 3.11Å; E142-L144 VanDerWaalsContact C-N 3.34Å; E142-V145 PolarHBondContact O-N 2.94Å; E142-R146 WeakPolarHBondContact O-CG 3.36Å; E142-R146 PolarHBondContact O-N 2.99Å; E142-R146 IonicContact OE2-CZ 2.9Å; E142-R146 IonicContact OE2-NH1 3.73Å; E142-R146 IonicContact OE2-NH2 2.7Å; E142-R146 PolarHBondContact OE2-NH2 2.85Å
143E95.3Very high93.4Very high118 Ų11868.5 Ų68.555%0.55140%0.4SS*.Hα-helixtrans-64-40.9174.6-71-176.3167.700111.6N140 R146 M147N140-E143 HydrophobicContact CB-CB 4.13Å; N140-E143 HydrophobicContact CB-CG 4.22Å; N140-E143 PolarHBondContact O-N 3.3Å; N140-E143 PolarHBondContact OD1-N 2.8Å; E143-R146 PolarHBondContact O-N 2.63Å; E143-M147 WeakPolarHBondContact O-CB 3.46Å; E143-M147 PolarHBondContact O-N 3.05Å
144L95.4Very high93.3Very high8 Ų867.9 Ų67.94%0.04240%0.402CS..Hα-helixtrans-59-47.9174.7-172.769.8000111.3I109 L128 I139 N140 Y141 E142 R146 M147 V148I109-L144 HydrophobicContact CD1-CD2 4.13Å; I109-L144 HydrophobicContact CG2-CD2 4.38Å; L128-L144 HydrophobicContact CD1-CD1 4.32Å; L128-L144 HydrophobicContact CG-CD1 4.45Å; I139-L144 HydrophobicContact CG2-CB 4.23Å; I139-L144 HydrophobicContact CG2-CD2 4.21Å; N140-L144 PolarHBondContact O-N 2.9Å; Y141-L144 PolarHBondContact O-N 3.31Å; E142-L144 VanDerWaalsContact C-N 3.34Å; L144-R146 PolarHBondContact O-N 3.35Å; L144-M147 HydrophobicContact CD1-CE 3.73Å; L144-M147 WeakPolarHBondContact O-CB 3.36Å; L144-M147 PolarHBondContact O-N 2.75Å; L144-V148 WeakPolarHBondContact O-CG2 3.46Å; L144-V148 PolarHBondContact O-N 3.01Å
145V95.8Very high93.3Very high9 Ų967.4 Ų67.46%0.05540%0.402CS..Hα-helixtrans-63.1-42.6178172.40000111.3Y86 Y89 V90 L93 Y141 E142 M147 V148 L149Y86-V145 HydrophobicContact CD2-CB 4.49Å; Y86-V145 HydrophobicContact CD2-CG1 3.57Å; Y86-V145 HydrophobicContact CE2-CB 4.14Å; Y86-V145 HydrophobicContact CE2-CG1 3.7Å; Y89-V145 HydrophobicContact CG-CG1 4.38Å; V90-V145 HydrophobicContact CG2-CB 4.34Å; V90-V145 HydrophobicContact CG2-CG1 4.28Å; V90-V145 HydrophobicContact CG2-CG2 4.4Å; L93-V145 HydrophobicContact CD1-CG2 3.67Å; Y141-V145 VanDerWaalsContact O-CG2 3.23Å; Y141-V145 WeakPolarHBondContact O-CG2 3.38Å; Y141-V145 PolarHBondContact O-N 3.09Å; E142-V145 PolarHBondContact O-N 2.94Å; V145-M147 VanDerWaalsContact C-N 3.28Å; V145-M147 PolarHBondContact O-N 3.49Å; V145-V148 PolarHBondContact O-N 3.43Å; V145-L149 HydrophobicContact CG1-CD1 3.76Å; V145-L149 HydrophobicContact CG1-CG 4.22Å; V145-L149 WeakPolarHBondContact O-CB 3.43Å; V145-L149 WeakPolarHBondContact O-CG 3.46Å; V145-L149 PolarHBondContact O-N 3.05Å
146R94.8Very high93.2Very high107 Ų10763.6 Ų63.640%0.40437%0.371SS..Hα-helixtrans-61.3-38.7175.5-71.9-174.4-165.496.24.1111.8Y86 E142 E143 L144 N150Y86-R146 HydrophobicContact CD2-CG 4.31Å; Y86-R146 HydrophobicContact CE2-CG 3.49Å; Y86-R146 VanDerWaalsContact CE2-CG 3.49Å; Y86-R146 PolarHBondContact OH-NE 3.17Å; Y86-R146 PolarHBondContact OH-NH2 3.03Å; E142-R146 WeakPolarHBondContact O-CG 3.36Å; E142-R146 PolarHBondContact O-N 2.99Å; E142-R146 IonicContact OE2-CZ 2.9Å; E142-R146 IonicContact OE2-NH1 3.73Å; E142-R146 IonicContact OE2-NH2 2.7Å; E142-R146 PolarHBondContact OE2-NH2 2.85Å; E143-R146 PolarHBondContact O-N 2.63Å; L144-R146 PolarHBondContact O-N 3.35Å; R146-N150 WeakPolarHBondContact O-CB 3.39Å; R146-N150 PolarHBondContact O-N 3.11Å; R146-N150 PolarHBondContact O-ND2 3Å
147M93.6Very high93.3Very high72 Ų7259.3 Ų59.336%0.35535%0.35SS..Hα-helixtrans-64.4-48.9176.8180-84.9-69.100110.6L128 H132 E143 L144 V145 L149 N150 G151L128-M147 HydrophobicContact CD1-CE 3.79Å; H132-M147 VanDerWaalsContact NE2-CE 3.34Å; H132-M147 WeakPolarHBondContact NE2-CE 3.28Å; E143-M147 WeakPolarHBondContact O-CB 3.46Å; E143-M147 PolarHBondContact O-N 3.05Å; L144-M147 HydrophobicContact CD1-CE 3.73Å; L144-M147 WeakPolarHBondContact O-CB 3.36Å; L144-M147 PolarHBondContact O-N 2.75Å; V145-M147 VanDerWaalsContact C-N 3.28Å; V145-M147 PolarHBondContact O-N 3.49Å; M147-L149 PolarHBondContact O-N 2.89Å; M147-N150 PolarHBondContact O-N 3.37Å; M147-G151 PolarHBondContact O-N 3.37Å; M147-G151 VanDerWaalsContact O-N 3.14Å
148V93.1Very high93.2Very high77 Ų7762.3 Ų62.347%0.46736%0.362SS..Hα-helixtrans-62.8-42.2-178.71730000112.5L128 L144 V145 N150L128-V148 HydrophobicContact CD1-CG2 3.45Å; L128-V148 VanDerWaalsContact CD1-CG2 3.45Å; L144-V148 WeakPolarHBondContact O-CG2 3.46Å; L144-V148 PolarHBondContact O-N 3.01Å; V145-V148 PolarHBondContact O-N 3.43Å; V148-N150 VanDerWaalsContact C-N 3.31Å; V148-N150 PolarHBondContact O-N 2.62Å
149L91.6Very high93Very high74 Ų7465.3 Ų65.339%0.38738%0.378SS..Hα-helixtrans-77.3-15.1-177-66.5-180000114.2Y86 Y89 V145 M147Y86-L149 HydrophobicContact CD2-CD1 4.09Å; Y89-L149 HydrophobicContact CD2-CD1 4.14Å; Y89-L149 HydrophobicContact CD2-CD2 4.21Å; Y89-L149 HydrophobicContact CE2-CD2 3.93Å; V145-L149 HydrophobicContact CG1-CD1 3.76Å; V145-L149 HydrophobicContact CG1-CG 4.22Å; V145-L149 WeakPolarHBondContact O-CB 3.43Å; V145-L149 WeakPolarHBondContact O-CG 3.46Å; V145-L149 PolarHBondContact O-N 3.05Å; M147-L149 PolarHBondContact O-N 2.89Å
150N87.6Confident92.6Very high136 Ų13670.7 Ų70.773%0.72741%0.409SS*.THydrogen-bonded Turntrans-111.56.3179.9-63.9-52.9000113.3R146 M147 V148R146-N150 WeakPolarHBondContact O-CB 3.39Å; R146-N150 PolarHBondContact O-N 3.11Å; R146-N150 PolarHBondContact O-ND2 3Å; M147-N150 PolarHBondContact O-N 3.37Å; V148-N150 VanDerWaalsContact C-N 3.31Å; V148-N150 PolarHBondContact O-N 2.62Å
151G74.9Confident92.2Very high130 Ų13072.4 Ų72.4100%1.3442%0.421SS*.  trans-77.40-179.700000114.7M147M147-G151 PolarHBondContact O-N 3.37Å; M147-G151 VanDerWaalsContact O-N 3.14Å

Retrieved 151 of 151 residues in 478.9 ms (Link to these results)

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