A0A096N7J2_PAPAN Loading...

Calmodulin-like protein 3

May function as a specific light chain of unconventional myosin-10 (MYO10), also enhances MYO10 translation, possibly by acting as a chaperone for the emerging MYO10 heavy chain protein. May compete with calmodulin by binding, with different affinities, to cellular substrates.

AlphaFold DB , UniProt , Accession A0A096N7J2, Species PAPAN (Papio anubis, Olive baboon), Gene CALML3, Length 149 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
1M33.5Very low63.1Low235 Ų235115.8 Ų115.8100%1.15861%0.609SS**  01360-76.6167.6173.200105.9D3M1-D3 PolarHBondContact O-N 3.49Å; M1-D3 VanDerWaalsContact O-N 3.1Å
2A36.4Very low64.5Low91 Ų91116.6 Ų116.675%0.75261%0.607SS**  trans-57.3117.4178.700000108.6Q4A2-Q4 PolarHBondContact O-N 2.97Å
3D46.3Very low65.7Low135 Ų135108.2 Ų108.272%0.72256%0.562SS**  trans-51.1103.9173.2-117.1-101.2000107.9M1 L5M1-D3 PolarHBondContact O-N 3.49Å; M1-D3 VanDerWaalsContact O-N 3.1Å; D3-L5 PolarHBondContact O-N 3.23Å
4Q53.9Low66.9Low181 Ų181109.6 Ų109.685%0.84656%0.562SS**  trans-79.2103.3174.3-74.9174.933.100105.8A2 T6A2-Q4 PolarHBondContact O-N 2.97Å; Q4-T6 PolarHBondContact O-N 2.76Å
5L65Low68.1Low35 Ų35111.1 Ų111.118%0.18357%0.566CS.*  trans-44.3133.5166.7-64.7172.4000109.1D3 Q9 I10 F13 L70 A74D3-L5 PolarHBondContact O-N 3.23Å; L5-Q9 HydrophobicContact CB-CB 4.35Å; L5-I10 HydrophobicContact CB-CD1 4.43Å; L5-I10 HydrophobicContact CB-CG1 3.92Å; L5-F13 HydrophobicContact CD1-CD2 3.98Å; L5-F13 HydrophobicContact CD1-CE2 3.7Å; L5-F13 HydrophobicContact CD2-CE2 3.81Å; L5-F13 HydrophobicContact CG-CE2 4.29Å; L5-L70 HydrophobicContact CD1-CD2 3.83Å; L5-A74 HydrophobicContact CD1-CB 4.21Å; L5-A74 HydrophobicContact CD2-CB 4.3Å
6T76.6Confident69Low69 Ų69105.6 Ų105.642%0.42354%0.542SS..  trans-66.8159179.765.70000110.7Q4 E8 Q9 I10Q4-T6 PolarHBondContact O-N 2.76Å; T6-E8 PolarHBondContact O-N 3.04Å; T6-Q9 PolarHBondContact O-N 2.68Å; T6-Q9 VanDerWaalsContact O-N 3.09Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.14Å; T6-Q9 PolarHBondContact OG1-N 2.76Å; T6-Q9 PolarHBondContact OG1-OE1 3.07Å; T6-I10 WeakPolarHBondContact O-CG1 3.23Å; T6-I10 PolarHBondContact O-N 2.91Å
7E75.8Confident69.8Low171 Ų17199.9 Ų99.980%0.79951%0.513SS*.Hα-helixtrans-57.9-31.2176.3-68.7-175.494.500112.4T11E7-T11 WeakPolarHBondContact O-CB 3.45Å; E7-T11 PolarHBondContact O-N 3.18Å; E7-T11 PolarHBondContact O-OG1 3.22Å
8E76.5Confident70.7Confident153 Ų15398.5 Ų98.572%0.71551%0.513SS*.Hα-helixtrans-66.1-49.9173.1-67.5-179.711600111.3T6 I10 T11 E12T6-E8 PolarHBondContact O-N 3.04Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 3.24Å; E8-T11 WeakPolarHBondContact O-CA 3.44Å; E8-T11 WeakPolarHBondContact O-CB 3.38Å; E8-T11 PolarHBondContact O-N 2.76Å; E8-E12 PolarHBondContact O-N 3.18Å
9Q71Confident71.3Confident61 Ų6198.9 Ų98.929%0.28552%0.515SS..Hα-helixtrans-60.7-42176.5-73.1175.7-45.400112L5 T6 T11 E12 F13L5-Q9 HydrophobicContact CB-CB 4.35Å; T6-Q9 PolarHBondContact O-N 2.68Å; T6-Q9 VanDerWaalsContact O-N 3.09Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.14Å; T6-Q9 PolarHBondContact OG1-N 2.76Å; T6-Q9 PolarHBondContact OG1-OE1 3.07Å; Q9-T11 PolarHBondContact O-N 2.99Å; Q9-E12 PolarHBondContact O-N 2.93Å; Q9-F13 HydrophobicContact CB-CD2 4.4Å; Q9-F13 HydrophobicContact CB-CE2 4.11Å; Q9-F13 WeakPolarHBondContact O-CB 3.46Å; Q9-F13 WeakPolarHBondContact O-CD2 3.33Å; Q9-F13 VanDerWaalsContact O-CG 3.24Å; Q9-F13 WeakPolarHBondContact O-CG 3.34Å; Q9-F13 PolarHBondContact O-N 3.36Å
10I78.5Confident71.9Confident64 Ų6495.5 Ų95.533%0.32850%0.496SS..Hα-helixtrans-60.7-37.7175.7-66.5167.9000110.5L5 T6 E8 K14 F66L5-I10 HydrophobicContact CB-CD1 4.43Å; L5-I10 HydrophobicContact CB-CG1 3.92Å; T6-I10 WeakPolarHBondContact O-CG1 3.23Å; T6-I10 PolarHBondContact O-N 2.91Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 3.24Å; I10-K14 VanDerWaalsContact O-CB 3.31Å; I10-K14 WeakPolarHBondContact O-CB 3.32Å; I10-K14 PolarHBondContact O-N 3.47Å; I10-F66 HydrophobicContact CG2-CE1 4.42Å; I10-F66 HydrophobicContact CG2-CZ 4.25Å
11T81.1Confident72.6Confident79 Ų7991.6 Ų91.649%0.48548%0.476SS..Hα-helixtrans-68.2-47177.6-57.50000111.2E7 E8 Q9 F13 K14 E15E7-T11 WeakPolarHBondContact O-CB 3.45Å; E7-T11 PolarHBondContact O-N 3.18Å; E7-T11 PolarHBondContact O-OG1 3.22Å; E8-T11 WeakPolarHBondContact O-CA 3.44Å; E8-T11 WeakPolarHBondContact O-CB 3.38Å; E8-T11 PolarHBondContact O-N 2.76Å; Q9-T11 PolarHBondContact O-N 2.99Å; T11-F13 VanDerWaalsContact C-N 3.31Å; T11-F13 PolarHBondContact O-N 2.93Å; T11-K14 WeakPolarHBondContact O-CB 3.12Å; T11-K14 PolarHBondContact O-N 2.9Å; T11-K14 VanDerWaalsContact O-N 3.07Å; T11-E15 PolarHBondContact O-N 2.95Å
12E79.9Confident74.9Confident125 Ų12586.6 Ų86.658%0.58445%0.448SS*.Hα-helixtrans-59.4-42.1175-71.4-17390.400111.7E8 Q9 K14 E15 A16E8-E12 PolarHBondContact O-N 3.18Å; Q9-E12 PolarHBondContact O-N 2.93Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.2Å; E12-E15 PolarHBondContact O-N 3.43Å; E12-A16 WeakPolarHBondContact O-CB 3.33Å; E12-A16 PolarHBondContact O-N 3.21Å
13F80Confident77.2Confident7 Ų787.5 Ų87.53%0.03144%0.44CS..Hα-helixtrans-66.8-31.3175.5-68.7-44.4000113L5 Q9 T11 A16 F17 L70 M73 M77L5-F13 HydrophobicContact CD1-CD2 3.98Å; L5-F13 HydrophobicContact CD1-CE2 3.7Å; L5-F13 HydrophobicContact CD2-CE2 3.81Å; L5-F13 HydrophobicContact CG-CE2 4.29Å; Q9-F13 HydrophobicContact CB-CD2 4.4Å; Q9-F13 HydrophobicContact CB-CE2 4.11Å; Q9-F13 WeakPolarHBondContact O-CB 3.46Å; Q9-F13 WeakPolarHBondContact O-CD2 3.33Å; Q9-F13 VanDerWaalsContact O-CG 3.24Å; Q9-F13 WeakPolarHBondContact O-CG 3.34Å; Q9-F13 PolarHBondContact O-N 3.36Å; T11-F13 VanDerWaalsContact C-N 3.31Å; T11-F13 PolarHBondContact O-N 2.93Å; F13-A16 PolarHBondContact O-N 3.46Å; F13-F17 VanDerWaalsContact O-CB 3.23Å; F13-F17 WeakPolarHBondContact O-CB 3.47Å; F13-F17 PolarHBondContact O-N 2.96Å; F13-L70 HydrophobicContact CB-CD2 3.56Å; F13-L70 HydrophobicContact CD2-CD2 3.43Å; F13-L70 VanDerWaalsContact CD2-CD2 3.43Å; F13-L70 HydrophobicContact CE2-CD2 4.36Å; F13-L70 HydrophobicContact CG-CD2 3.8Å; F13-M73 HydrophobicContact CD1-CB 3.82Å; F13-M73 HydrophobicContact CD1-CE 4.31Å; F13-M73 HydrophobicContact CD1-CG 3.89Å; F13-M73 HydrophobicContact CE1-CB 3.5Å; F13-M73 HydrophobicContact CE1-CE 4.47Å; F13-M73 HydrophobicContact CE1-CG 3.91Å; F13-M73 HydrophobicContact CE1-SD 4.29Å; F13-M73 HydrophobicContact CE2-CB 4.46Å; F13-M73 HydrophobicContact CG-CB 4.44Å; F13-M73 HydrophobicContact CZ-CB 3.82Å; F13-M77 HydrophobicContact CE1-CE 3.71Å; F13-M77 HydrophobicContact CE1-SD 4.05Å; F13-M77 HydrophobicContact CE2-SD 4.42Å; F13-M77 HydrophobicContact CZ-CE 3.67Å; F13-M77 HydrophobicContact CZ-CG 4.24Å; F13-M77 HydrophobicContact CZ-SD 3.43Å; F13-M77 WeakPolarHBondContact CZ-SD 3.33Å
14K82.7Confident79Confident128 Ų12883.9 Ų83.956%0.55744%0.435SS*.Hα-helixtrans-70.7-40.3175.1-165.1173.6-176.6177.10111.6I10 T11 E12 F17 S18 F66I10-K14 VanDerWaalsContact O-CB 3.31Å; I10-K14 WeakPolarHBondContact O-CB 3.32Å; I10-K14 PolarHBondContact O-N 3.47Å; T11-K14 WeakPolarHBondContact O-CB 3.12Å; T11-K14 PolarHBondContact O-N 2.9Å; T11-K14 VanDerWaalsContact O-N 3.07Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.2Å; K14-F17 PolarHBondContact O-N 3.39Å; K14-S18 PolarHBondContact O-N 3.45Å; K14-S18 PolarHBondContact O-OG 3.14Å; K14-F66 HydrophobicContact CB-CE2 3.9Å; K14-F66 HydrophobicContact CB-CZ 3.84Å; K14-F66 HydrophobicContact CG-CE2 4.17Å; K14-F66 HydrophobicContact CG-CZ 4.16Å
15E83.8Confident80.5Confident133 Ų13379.7 Ų79.762%0.62142%0.418SS*.Hα-helixtrans-63.9-43.1172.1-69.7-168.8106.600111.2T11 E12 S18 L19T11-E15 PolarHBondContact O-N 2.95Å; E12-E15 PolarHBondContact O-N 3.43Å; E15-S18 PolarHBondContact O-N 3.06Å; E15-L19 PolarHBondContact O-N 2.81Å
16A82.3Confident81.5Confident23 Ų2379.5 Ų79.519%0.1943%0.425CS..Hα-helixtrans-61-44.8173.600000111.5E12 F13 S18 L19 F20 F69 M73E12-A16 WeakPolarHBondContact O-CB 3.33Å; E12-A16 PolarHBondContact O-N 3.21Å; F13-A16 PolarHBondContact O-N 3.46Å; A16-S18 VanDerWaalsContact C-N 3.3Å; A16-S18 PolarHBondContact O-N 3.38Å; A16-L19 WeakPolarHBondContact O-CA 3.32Å; A16-L19 VanDerWaalsContact O-CB 3.24Å; A16-L19 WeakPolarHBondContact O-CB 3.28Å; A16-L19 PolarHBondContact O-N 2.69Å; A16-F20 WeakPolarHBondContact O-CD2 3.3Å; A16-F20 PolarHBondContact O-N 2.86Å; A16-F69 HydrophobicContact CB-CE1 4.48Å; A16-F69 HydrophobicContact CB-CZ 4.47Å; A16-M73 HydrophobicContact CB-CE 4.44Å
17F83.8Confident82Confident9 Ų977.9 Ų77.94%0.03942%0.416CS..Hα-helixtrans-57.6-43.3177.3-173.9-89.5000111.4F13 K14 L19 F20 D21 G26 I28 F66 F69F13-F17 VanDerWaalsContact O-CB 3.23Å; F13-F17 WeakPolarHBondContact O-CB 3.47Å; F13-F17 PolarHBondContact O-N 2.96Å; K14-F17 PolarHBondContact O-N 3.39Å; F17-L19 PolarHBondContact O-N 3.14Å; F17-F20 CarbonylContact O-C 3.59Å; F17-F20 WeakPolarHBondContact O-CA 3.31Å; F17-F20 WeakPolarHBondContact O-CB 3.41Å; F17-F20 PolarHBondContact O-N 3.29Å; F17-D21 HydrophobicContact CD1-CB 4Å; F17-D21 HydrophobicContact CE1-CB 3.7Å; F17-D21 HydrophobicContact CZ-CB 4.44Å; F17-D21 PolarHBondContact O-N 2.96Å; F17-G26 WeakPolarHBondContact CZ-O 3.5Å; F17-I28 HydrophobicContact CD2-CD1 3.45Å; F17-I28 VanDerWaalsContact CD2-CD1 3.45Å; F17-I28 HydrophobicContact CD2-CG1 4.11Å; F17-I28 HydrophobicContact CE1-CG1 4.47Å; F17-I28 HydrophobicContact CE2-CD1 3.32Å; F17-I28 HydrophobicContact CE2-CG1 3.58Å; F17-I28 HydrophobicContact CG-CD1 4.27Å; F17-I28 HydrophobicContact CZ-CD1 4.05Å; F17-I28 HydrophobicContact CZ-CG1 3.78Å; F17-F66 HydrophobicContact CB-CD2 3.87Å; F17-F66 HydrophobicContact CB-CE2 4.1Å; F17-F66 HydrophobicContact CD1-CD2 4.23Å; F17-F66 HydrophobicContact CD2-CB 4.35Å; F17-F66 AromaticContact CD2-CD2 3.8Å; F17-F66 HydrophobicContact CD2-CD2 3.8Å; F17-F66 HydrophobicContact CE1-CB 4.47Å; F17-F66 HydrophobicContact CE2-CB 4.12Å; F17-F66 HydrophobicContact CE2-CD2 4.4Å; F17-F66 AromaticContact CG-CD2 3.7Å; F17-F66 HydrophobicContact CG-CD2 3.7Å; F17-F66 HydrophobicContact CG-CE2 4.43Å; F17-F66 HydrophobicContact CZ-CB 4.19Å; F17-F69 HydrophobicContact CB-CD1 4.18Å; F17-F69 HydrophobicContact CB-CE1 4.08Å; F17-F69 HydrophobicContact CD2-CB 3.71Å; F17-F69 AromaticContact CD2-CD1 3.75Å; F17-F69 HydrophobicContact CD2-CD1 3.75Å; F17-F69 HydrophobicContact CD2-CD2 4.12Å; F17-F69 HydrophobicContact CD2-CE1 4.32Å; F17-F69 AromaticContact CD2-CG 3.61Å; F17-F69 HydrophobicContact CD2-CG 3.61Å; F17-F69 HydrophobicContact CE2-CB 3.9Å; F17-F69 HydrophobicContact CE2-CG 4.23Å; F17-F69 HydrophobicContact CG-CD1 4.47Å
18S85.3Confident82.6Confident74 Ų7470 Ų7052%0.51738%0.379SS..Hα-helixtrans-65.7-15.1174.1-67.40000114.5K14 E15 A16K14-S18 PolarHBondContact O-N 3.45Å; K14-S18 PolarHBondContact O-OG 3.14Å; E15-S18 PolarHBondContact O-N 3.06Å; A16-S18 VanDerWaalsContact C-N 3.3Å; A16-S18 PolarHBondContact O-N 3.38Å
19L83.3Confident83.1Confident106 Ų10664.5 Ų64.556%0.55536%0.356SS*.Hα-helixtrans-74.7-33.6168-62.8173.4000111.5E15 A16 F17 K22 V36E15-L19 PolarHBondContact O-N 2.81Å; A16-L19 WeakPolarHBondContact O-CA 3.32Å; A16-L19 VanDerWaalsContact O-CB 3.24Å; A16-L19 WeakPolarHBondContact O-CB 3.28Å; A16-L19 PolarHBondContact O-N 2.69Å; F17-L19 PolarHBondContact O-N 3.14Å; L19-K22 WeakPolarHBondContact O-CE 3.42Å; L19-K22 PolarHBondContact O-NZ 2.68Å; L19-V36 WeakPolarHBondContact O-CG2 3.36Å
20F83.1Confident83.9Confident30 Ų3063.6 Ų63.613%0.13236%0.355CS..Hα-helixtrans-79.5-56177.1-64.5-84.7000112A16 F17 K22 I28 E32 L33 V36 F69A16-F20 WeakPolarHBondContact O-CD2 3.3Å; A16-F20 PolarHBondContact O-N 2.86Å; F17-F20 CarbonylContact O-C 3.59Å; F17-F20 WeakPolarHBondContact O-CA 3.31Å; F17-F20 WeakPolarHBondContact O-CB 3.41Å; F17-F20 PolarHBondContact O-N 3.29Å; F20-K22 PolarHBondContact O-N 2.89Å; F20-K22 VanDerWaalsContact O-N 3.1Å; F20-I28 HydrophobicContact CB-CD1 3.44Å; F20-I28 VanDerWaalsContact CB-CD1 3.44Å; F20-I28 HydrophobicContact CB-CG1 3.72Å; F20-I28 HydrophobicContact CB-CG2 4.1Å; F20-I28 HydrophobicContact CD2-CD1 4.45Å; F20-I28 HydrophobicContact CG-CD1 4.06Å; F20-E32 WeakPolarHBondContact O-CB 3.41Å; F20-L33 HydrophobicContact CD1-CD1 3.93Å; F20-L33 HydrophobicContact CE1-CD1 3.83Å; F20-V36 HydrophobicContact CB-CG2 4.34Å; F20-V36 HydrophobicContact CD1-CB 3.55Å; F20-V36 HydrophobicContact CD1-CG1 3.72Å; F20-V36 HydrophobicContact CD1-CG2 3.67Å; F20-V36 HydrophobicContact CE1-CB 3.63Å; F20-V36 HydrophobicContact CE1-CG1 3.39Å; F20-V36 HydrophobicContact CE1-CG2 4.23Å; F20-V36 HydrophobicContact CG-CB 4.42Å; F20-V36 HydrophobicContact CG-CG1 4.43Å; F20-V36 HydrophobicContact CG-CG2 4.13Å; F20-V36 HydrophobicContact CZ-CG1 3.83Å; F20-F69 AromaticContact CD2-CE2 3.8Å; F20-F69 HydrophobicContact CD2-CE2 3.8Å; F20-F69 AromaticContact CD2-CZ 3.8Å; F20-F69 HydrophobicContact CD2-CZ 3.8Å; F20-F69 AromaticContact CE2-CE2 3.89Å; F20-F69 HydrophobicContact CE2-CE2 3.89Å; F20-F69 AromaticContact CE2-CZ 3.77Å; F20-F69 HydrophobicContact CE2-CZ 3.77Å; F20-F69 HydrophobicContact CG-CE2 4.48Å
21D86.8Confident84.3Confident15 Ų1570.1 Ų70.18%0.0838%0.376CS..  trans-69.698.4177177.78.2000110.3F17 G24 D25 G26 I28F17-D21 HydrophobicContact CD1-CB 4Å; F17-D21 HydrophobicContact CE1-CB 3.7Å; F17-D21 HydrophobicContact CZ-CB 4.44Å; F17-D21 PolarHBondContact O-N 2.96Å; D21-G24 WeakPolarHBondContact OD1-CA 3.46Å; D21-G24 PolarHBondContact OD1-N 3.03Å; D21-G24 WeakPolarHBondContact OD2-CA 3.45Å; D21-D25 PolarHBondContact OD1-N 2.96Å; D21-D25 PolarHBondContact OD2-N 2.8Å; D21-G26 WeakPolarHBondContact OD2-CA 3.37Å; D21-G26 PolarHBondContact OD2-N 2.98Å; D21-I28 HydrophobicContact CB-CG1 4.46Å
22K81.4Confident84.6Confident129 Ų12967 Ų6756%0.56136%0.356SS*.SBendtrans-86.4-32.4-173.8-74.1-53.8-170-151.90112.3L19 F20 E32L19-K22 WeakPolarHBondContact O-CE 3.42Å; L19-K22 PolarHBondContact O-NZ 2.68Å; F20-K22 PolarHBondContact O-N 2.89Å; F20-K22 VanDerWaalsContact O-N 3.1Å; K22-E32 HydrophobicContact CB-CG 4.48Å; K22-E32 PolarHBondContact N-OE1 3.4Å
23D84.6Confident84.9Confident110 Ų11062 Ų6259%0.58833%0.333SS*.SBendtrans-91.9-9.9-179.764.115.9000113D25D23-D25 VanDerWaalsContact C-N 3.33Å; D23-D25 WeakPolarHBondContact OD1-CB 3.36Å; D23-D25 VanDerWaalsContact OD1-CG 3.3Å; D23-D25 PolarHBondContact OD1-N 2.94Å
24G84.1Confident85.2Confident59 Ų5961.7 Ų61.761%0.60833%0.331SS*.  trans75.922.9174.300000112.5D21 G26D21-G24 WeakPolarHBondContact OD1-CA 3.46Å; D21-G24 PolarHBondContact OD1-N 3.03Å; D21-G24 WeakPolarHBondContact OD2-CA 3.45Å; G24-G26 PolarHBondContact O-N 3.16Å
25D86Confident85.3Confident93 Ų9358.4 Ų58.450%0.49732%0.322SS..SBendtrans-79.4-7.2-178.184-10.3000113D21 D23 C27D21-D25 PolarHBondContact OD1-N 2.96Å; D21-D25 PolarHBondContact OD2-N 2.8Å; D23-D25 VanDerWaalsContact C-N 3.33Å; D23-D25 WeakPolarHBondContact OD1-CB 3.36Å; D23-D25 VanDerWaalsContact OD1-CG 3.3Å; D23-D25 PolarHBondContact OD1-N 2.94Å; D25-C27 WeakPolarHBondContact OD1-CA 3.48Å; D25-C27 WeakPolarHBondContact OD1-CB 3.43Å; D25-C27 PolarHBondContact OD1-N 3.5Å
26G84.9Confident85.3Confident32 Ų3252.7 Ų52.733%0.3330%0.296SS..SBendtrans84.98.5179.400000114.3F17 D21 G24F17-G26 WeakPolarHBondContact CZ-O 3.5Å; D21-G26 WeakPolarHBondContact OD2-CA 3.37Å; D21-G26 PolarHBondContact OD2-N 2.98Å; G24-G26 PolarHBondContact O-N 3.16Å
27C87.2Confident85.3Confident35 Ų3552.5 Ų52.524%0.23629%0.292CS..EExtended strand (participates in β ladder)trans-134.1125.7-177-58.40000110.6D25 T29 T63D25-C27 WeakPolarHBondContact OD1-CA 3.48Å; D25-C27 WeakPolarHBondContact OD1-CB 3.43Å; D25-C27 PolarHBondContact OD1-N 3.5Å; C27-T29 PolarHBondContact O-N 3.43Å; C27-T63 HydrophobicContact CB-CG2 4.49Å
28I87.4Confident85.3Confident4 Ų457.7 Ų57.72%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-86.4117.8177.2-60.2165.3000109.5F17 F20 D21 E32 L33 T63 V64 F69F17-I28 HydrophobicContact CD2-CD1 3.45Å; F17-I28 VanDerWaalsContact CD2-CD1 3.45Å; F17-I28 HydrophobicContact CD2-CG1 4.11Å; F17-I28 HydrophobicContact CE1-CG1 4.47Å; F17-I28 HydrophobicContact CE2-CD1 3.32Å; F17-I28 HydrophobicContact CE2-CG1 3.58Å; F17-I28 HydrophobicContact CG-CD1 4.27Å; F17-I28 HydrophobicContact CZ-CD1 4.05Å; F17-I28 HydrophobicContact CZ-CG1 3.78Å; F20-I28 HydrophobicContact CB-CD1 3.44Å; F20-I28 VanDerWaalsContact CB-CD1 3.44Å; F20-I28 HydrophobicContact CB-CG1 3.72Å; F20-I28 HydrophobicContact CB-CG2 4.1Å; F20-I28 HydrophobicContact CD2-CD1 4.45Å; F20-I28 HydrophobicContact CG-CD1 4.06Å; D21-I28 HydrophobicContact CB-CG1 4.46Å; I28-E32 HydrophobicContact CG2-CB 4.22Å; I28-L33 HydrophobicContact CG2-CB 4.05Å; I28-T63 WeakPolarHBondContact O-CA 3.29Å; I28-V64 HydrophobicContact CB-CB 4.39Å; I28-V64 PolarHBondContact N-O 3.09Å; I28-V64 PolarHBondContact O-N 3.01Å; I28-F69 HydrophobicContact CD1-CD2 3.63Å; I28-F69 HydrophobicContact CD1-CE2 3.94Å; I28-F69 HydrophobicContact CD1-CG 4.31Å
29T88.3Confident85Confident39 Ų3958.8 Ų58.824%0.23932%0.318CS..EExtended strand (participates in β ladder)trans-86161.6173.264.70000112.5C27 R31 E32 L33 T63C27-T29 PolarHBondContact O-N 3.43Å; T29-R31 PolarHBondContact O-N 2.74Å; T29-R31 VanDerWaalsContact O-N 3.09Å; T29-E32 WeakPolarHBondContact CB-OE2 3.38Å; T29-E32 PolarHBondContact N-OE2 2.96Å; T29-E32 PolarHBondContact O-N 3.13Å; T29-E32 VanDerWaalsContact O-N 3.09Å; T29-E32 WeakPolarHBondContact OG1-CG 3.22Å; T29-E32 PolarHBondContact OG1-N 3.37Å; T29-E32 PolarHBondContact OG1-OE2 3.38Å; T29-L33 PolarHBondContact O-N 3.49Å; T29-T63 HydrophobicContact CG2-CG2 3.96Å
30T86.9Confident84.6Confident42 Ų4260 Ų6026%0.25833%0.325SS..Hα-helixtrans-48.5-36.9170.147.80000113.3G34 L53T30-G34 PolarHBondContact O-N 2.96Å; T30-L53 VanDerWaalsContact CA-CD1 3.47Å; T30-L53 HydrophobicContact CG2-CD1 3.18Å; T30-L53 HydrophobicContact CG2-CG 4.42Å; T30-L53 VanDerWaalsContact N-CD1 3.34Å
31R86.7Confident84.4Confident201 Ų20161.8 Ų61.876%0.75835%0.352SS*.Hα-helixtrans-70.4-41.9-178.1-69.9-179.1171.1-171.9-1.4111.8T29 T35T29-R31 PolarHBondContact O-N 2.74Å; T29-R31 VanDerWaalsContact O-N 3.09Å; R31-T35 WeakPolarHBondContact O-CB 3.33Å; R31-T35 PolarHBondContact O-N 3.24Å; R31-T35 PolarHBondContact O-OG1 2.71Å
32E88.6Confident84.1Confident14 Ų1466.6 Ų66.67%0.06537%0.374CS..Hα-helixtrans-69.5-47.4179-77.6170.912600111.5F20 K22 I28 T29 G34 T35 V36F20-E32 WeakPolarHBondContact O-CB 3.41Å; K22-E32 HydrophobicContact CB-CG 4.48Å; K22-E32 PolarHBondContact N-OE1 3.4Å; I28-E32 HydrophobicContact CG2-CB 4.22Å; T29-E32 WeakPolarHBondContact CB-OE2 3.38Å; T29-E32 PolarHBondContact N-OE2 2.96Å; T29-E32 PolarHBondContact O-N 3.13Å; T29-E32 VanDerWaalsContact O-N 3.09Å; T29-E32 WeakPolarHBondContact OG1-CG 3.22Å; T29-E32 PolarHBondContact OG1-N 3.37Å; T29-E32 PolarHBondContact OG1-OE2 3.38Å; E32-G34 VanDerWaalsContact C-N 3.3Å; E32-G34 PolarHBondContact O-N 3.33Å; E32-T35 WeakPolarHBondContact O-CB 3.44Å; E32-T35 PolarHBondContact O-N 3.47Å; E32-V36 PolarHBondContact O-N 2.89Å
33L84.9Confident84.2Confident20 Ų2067.2 Ų67.211%0.10538%0.383CS..Hα-helixtrans-54-49.1172.9-177.661.8000111F20 I28 T29 T35 V36 M37 L49 M52 L53F20-L33 HydrophobicContact CD1-CD1 3.93Å; F20-L33 HydrophobicContact CE1-CD1 3.83Å; I28-L33 HydrophobicContact CG2-CB 4.05Å; T29-L33 PolarHBondContact O-N 3.49Å; L33-T35 VanDerWaalsContact C-N 3.3Å; L33-T35 PolarHBondContact O-N 3.2Å; L33-V36 PolarHBondContact O-N 2.75Å; L33-M37 HydrophobicContact CD1-CG 4.33Å; L33-M37 HydrophobicContact CD1-SD 4.2Å; L33-M37 HydrophobicContact CG-SD 4.08Å; L33-M37 WeakPolarHBondContact O-CG 3.1Å; L33-M37 PolarHBondContact O-N 2.84Å; L33-L49 HydrophobicContact CB-CD2 4.25Å; L33-L49 HydrophobicContact CD2-CD2 3.88Å; L33-L49 HydrophobicContact CG-CD2 3.75Å; L33-M52 HydrophobicContact CD2-CB 4.38Å; L33-L53 HydrophobicContact CD2-CD2 3.97Å; L33-L53 HydrophobicContact CD2-CG 4.03Å
34G86.5Confident84.3Confident0 Ų062.9 Ų62.90%036%0.362CS..Hα-helixtrans-63.1-33.9177.600000113.8T30 E32 R38T30-G34 PolarHBondContact O-N 2.96Å; E32-G34 VanDerWaalsContact C-N 3.3Å; E32-G34 PolarHBondContact O-N 3.33Å; G34-R38 WeakPolarHBondContact O-CB 3.35Å; G34-R38 VanDerWaalsContact O-CG 3.28Å; G34-R38 WeakPolarHBondContact O-CG 3.47Å; G34-R38 PolarHBondContact O-N 3.38Å; G34-R38 VanDerWaalsContact O-N 3.09Å; G34-R38 PolarHBondContact O-NE 3.04Å; G34-R38 PolarHBondContact O-NH1 2.97Å
35T86.6Confident84.5Confident59 Ų5963.7 Ų63.736%0.36236%0.355SS..Hα-helixtrans-68.4-40.4177.8-61.20000111.2R31 E32 L33 S39R31-T35 WeakPolarHBondContact O-CB 3.33Å; R31-T35 PolarHBondContact O-N 3.24Å; R31-T35 PolarHBondContact O-OG1 2.71Å; E32-T35 WeakPolarHBondContact O-CB 3.44Å; E32-T35 PolarHBondContact O-N 3.47Å; L33-T35 VanDerWaalsContact C-N 3.3Å; L33-T35 PolarHBondContact O-N 3.2Å; T35-S39 PolarHBondContact O-N 3.34Å; T35-S39 VanDerWaalsContact O-N 3.08Å; T35-S39 PolarHBondContact O-OG 3.27Å
36V83.8Confident84.5Confident12 Ų1265.7 Ų65.77%0.07336%0.361CS..Hα-helixtrans-70.7-45.6175.9-179.30000111.8L19 F20 E32 L33 R38 S39 L40L19-V36 WeakPolarHBondContact O-CG2 3.36Å; F20-V36 HydrophobicContact CB-CG2 4.34Å; F20-V36 HydrophobicContact CD1-CB 3.55Å; F20-V36 HydrophobicContact CD1-CG1 3.72Å; F20-V36 HydrophobicContact CD1-CG2 3.67Å; F20-V36 HydrophobicContact CE1-CB 3.63Å; F20-V36 HydrophobicContact CE1-CG1 3.39Å; F20-V36 HydrophobicContact CE1-CG2 4.23Å; F20-V36 HydrophobicContact CG-CB 4.42Å; F20-V36 HydrophobicContact CG-CG1 4.43Å; F20-V36 HydrophobicContact CG-CG2 4.13Å; F20-V36 HydrophobicContact CZ-CG1 3.83Å; E32-V36 PolarHBondContact O-N 2.89Å; L33-V36 PolarHBondContact O-N 2.75Å; V36-R38 VanDerWaalsContact C-N 3.26Å; V36-R38 PolarHBondContact O-N 2.8Å; V36-S39 CarbonylContact O-C 3.53Å; V36-S39 WeakPolarHBondContact O-CA 3.32Å; V36-S39 WeakPolarHBondContact O-CB 3.22Å; V36-S39 PolarHBondContact O-N 3.36Å; V36-L40 HydrophobicContact CG1-CD1 4.08Å; V36-L40 HydrophobicContact CG1-CG 4.36Å; V36-L40 WeakPolarHBondContact O-CG 3.39Å; V36-L40 PolarHBondContact O-N 3.4Å
37M80.4Confident84.6Confident20 Ų2067 Ų6710%0.09937%0.369CS..Hα-helixtrans-58.9-39.7178.9-69.2-174.482.900111.8L33 S39 L40 G41 Q42 P44 L49 M52L33-M37 HydrophobicContact CD1-CG 4.33Å; L33-M37 HydrophobicContact CD1-SD 4.2Å; L33-M37 HydrophobicContact CG-SD 4.08Å; L33-M37 WeakPolarHBondContact O-CG 3.1Å; L33-M37 PolarHBondContact O-N 2.84Å; M37-S39 VanDerWaalsContact C-N 3.35Å; M37-S39 PolarHBondContact O-N 2.95Å; M37-L40 CarbonylContact O-C 3.59Å; M37-L40 PolarHBondContact O-N 2.95Å; M37-G41 PolarHBondContact O-N 2.82Å; M37-Q42 CarbonylContact C-O 3.58Å; M37-Q42 VanDerWaalsContact C-O 3.24Å; M37-Q42 HydrophobicContact CB-CB 4.42Å; M37-Q42 WeakPolarHBondContact O-CA 3.4Å; M37-Q42 WeakPolarHBondContact O-CB 3.35Å; M37-Q42 PolarHBondContact O-N 3.22Å; M37-P44 HydrophobicContact CB-CG 3.71Å; M37-P44 HydrophobicContact CE-CB 4.38Å; M37-P44 HydrophobicContact CE-CG 4.19Å; M37-P44 HydrophobicContact CG-CG 4.36Å; M37-P44 HydrophobicContact SD-CB 4.35Å; M37-P44 HydrophobicContact SD-CG 3.8Å; M37-L49 HydrophobicContact SD-CD2 3.68Å; M37-M52 HydrophobicContact CE-CE 3.75Å; M37-M52 HydrophobicContact CE-SD 3.81Å; M37-M52 HydrophobicContact SD-CE 3.83Å; M37-M52 HydrophobicContact SD-SD 3.89Å
38R84.4Confident84.5Confident118 Ų11870.1 Ų70.145%0.44538%0.38SS..Hα-helixtrans-63.6-36.7170.9-72.5-171.1-67.3-89.2-2.5113.8G34 V36 L40 G41 Q42 N43G34-R38 WeakPolarHBondContact O-CB 3.35Å; G34-R38 VanDerWaalsContact O-CG 3.28Å; G34-R38 WeakPolarHBondContact O-CG 3.47Å; G34-R38 PolarHBondContact O-N 3.38Å; G34-R38 VanDerWaalsContact O-N 3.09Å; G34-R38 PolarHBondContact O-NE 3.04Å; G34-R38 PolarHBondContact O-NH1 2.97Å; V36-R38 VanDerWaalsContact C-N 3.26Å; V36-R38 PolarHBondContact O-N 2.8Å; R38-L40 VanDerWaalsContact C-N 3.27Å; R38-L40 PolarHBondContact O-N 2.75Å; R38-G41 PolarHBondContact O-N 3.45Å; R38-G41 VanDerWaalsContact O-N 3.14Å; R38-Q42 WeakPolarHBondContact CA-O 3.16Å; R38-Q42 PolarHBondContact N-O 3.45Å; R38-N43 WeakPolarHBondContact CG-OD1 3.4Å
39S78.3Confident84.4Confident96 Ų9670.4 Ų70.467%0.67138%0.381SS*.Hα-helixtrans-68.8-27.1175.5-57.10000112.6T35 V36 M37 G41T35-S39 PolarHBondContact O-N 3.34Å; T35-S39 VanDerWaalsContact O-N 3.08Å; T35-S39 PolarHBondContact O-OG 3.27Å; V36-S39 CarbonylContact O-C 3.53Å; V36-S39 WeakPolarHBondContact O-CA 3.32Å; V36-S39 WeakPolarHBondContact O-CB 3.22Å; V36-S39 PolarHBondContact O-N 3.36Å; M37-S39 VanDerWaalsContact C-N 3.35Å; M37-S39 PolarHBondContact O-N 2.95Å; S39-G41 VanDerWaalsContact C-N 3.26Å
40L76.3Confident84.2Confident131 Ų13175.8 Ų75.869%0.68640%0.397SS*.THydrogen-bonded Turntrans-84.13.6173.2-64.6173.2000113.1V36 M37 R38V36-L40 HydrophobicContact CG1-CD1 4.08Å; V36-L40 HydrophobicContact CG1-CG 4.36Å; V36-L40 WeakPolarHBondContact O-CG 3.39Å; V36-L40 PolarHBondContact O-N 3.4Å; M37-L40 CarbonylContact O-C 3.59Å; M37-L40 PolarHBondContact O-N 2.95Å; R38-L40 VanDerWaalsContact C-N 3.27Å; R38-L40 PolarHBondContact O-N 2.75Å
41G78.9Confident84.1Confident69 Ų6978.5 Ų78.571%0.71141%0.41SS*.THydrogen-bonded Turntrans84.65.7178.900000114.9M37 R38 S39M37-G41 PolarHBondContact O-N 2.82Å; R38-G41 PolarHBondContact O-N 3.45Å; R38-G41 VanDerWaalsContact O-N 3.14Å; S39-G41 VanDerWaalsContact C-N 3.26Å
42Q79.2Confident83.8Confident115 Ų11571.5 Ų71.554%0.53739%0.387SS..  trans-91.9145.1172.1-62.7-159.1-3300111.1M37 R38 P44M37-Q42 CarbonylContact C-O 3.58Å; M37-Q42 VanDerWaalsContact C-O 3.24Å; M37-Q42 HydrophobicContact CB-CB 4.42Å; M37-Q42 WeakPolarHBondContact O-CA 3.4Å; M37-Q42 WeakPolarHBondContact O-CB 3.35Å; M37-Q42 PolarHBondContact O-N 3.22Å; R38-Q42 WeakPolarHBondContact CA-O 3.16Å; R38-Q42 PolarHBondContact N-O 3.45Å; Q42-P44 WeakPolarHBondContact O-CD 3.5Å
43N84.5Confident83.6Confident142 Ų14271.2 Ų71.276%0.75939%0.385SS*.  trans-121.165.6-177.4-121.130.4000111.3R38R38-N43 WeakPolarHBondContact CG-OD1 3.4Å
44P85.6Confident83.5Confident20 Ų2073.6 Ų73.613%0.1340%0.404CS..  trans-69.5146.5-178.931.7-37.3000111.4M37 Q42 E48 L49M37-P44 HydrophobicContact CB-CG 3.71Å; M37-P44 HydrophobicContact CE-CB 4.38Å; M37-P44 HydrophobicContact CE-CG 4.19Å; M37-P44 HydrophobicContact CG-CG 4.36Å; M37-P44 HydrophobicContact SD-CB 4.35Å; M37-P44 HydrophobicContact SD-CG 3.8Å; Q42-P44 WeakPolarHBondContact O-CD 3.5Å; P44-E48 HydrophobicContact CB-CB 4.37Å; P44-L49 HydrophobicContact CB-CD2 4.11Å; P44-L49 HydrophobicContact CB-CG 4.08Å; P44-L49 HydrophobicContact CG-CD1 4.34Å; P44-L49 HydrophobicContact CG-CD2 3.75Å; P44-L49 HydrophobicContact CG-CG 4.03Å
45T89.2Confident83.2Confident76 Ų7681.1 Ų81.147%0.46644%0.439SS..  trans-76.616217262.40000111.4A47 E48 L49T45-A47 PolarHBondContact O-N 3.31Å; T45-E48 WeakPolarHBondContact CB-OE2 3.49Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.31Å; T45-E48 PolarHBondContact N-OE2 3.19Å; T45-E48 PolarHBondContact O-N 3.26Å; T45-E48 VanDerWaalsContact OG1-CG 3.31Å; T45-E48 WeakPolarHBondContact OG1-CG 3.44Å; T45-E48 PolarHBondContact OG1-N 3.21Å; T45-E48 PolarHBondContact OG1-OE2 3.33Å; T45-L49 WeakPolarHBondContact O-CG 3.2Å; T45-L49 PolarHBondContact O-N 2.83Å
46E86.1Confident82.9Confident134 Ų13479.5 Ų79.563%0.62643%0.428SS*.Hα-helixtrans-62.3-31.5177-167.8-179.9146.800112.4R50E46-R50 WeakPolarHBondContact O-CB 3.44Å; E46-R50 PolarHBondContact O-N 2.98Å; E46-R50 IonicContact OE1-NH2 3.49Å; E46-R50 PolarHBondContact OE1-NH2 3.35Å
47A87.4Confident82.9Confident60 Ų6080 Ų8050%0.49643%0.43SS..Hα-helixtrans-64.9-51174.300000110.8T45 L49 R50 D51T45-A47 PolarHBondContact O-N 3.31Å; A47-L49 VanDerWaalsContact C-N 3.32Å; A47-L49 PolarHBondContact O-N 3.01Å; A47-R50 PolarHBondContact O-N 3.07Å; A47-D51 PolarHBondContact O-N 2.91Å
48E84.9Confident82.8Confident101 Ų10189.2 Ų89.247%0.47246%0.464SS..Hα-helixtrans-58.8-42.4177.1-71.7165.8127.300112P44 T45 R50 D51 M52P44-E48 HydrophobicContact CB-CB 4.37Å; T45-E48 WeakPolarHBondContact CB-OE2 3.49Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.31Å; T45-E48 PolarHBondContact N-OE2 3.19Å; T45-E48 PolarHBondContact O-N 3.26Å; T45-E48 VanDerWaalsContact OG1-CG 3.31Å; T45-E48 WeakPolarHBondContact OG1-CG 3.44Å; T45-E48 PolarHBondContact OG1-N 3.21Å; T45-E48 PolarHBondContact OG1-OE2 3.33Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 3.33Å; E48-D51 PolarHBondContact O-N 2.98Å; E48-M52 WeakPolarHBondContact O-CB 3.09Å; E48-M52 WeakPolarHBondContact O-CG 3.5Å; E48-M52 PolarHBondContact O-N 2.97Å
49L85.1Confident82.7Confident9 Ų988.2 Ų88.25%0.04747%0.468CS..Hα-helixtrans-63.1-37.2176.3-69.6169.5000112.5L33 M37 P44 T45 A47 L53L33-L49 HydrophobicContact CB-CD2 4.25Å; L33-L49 HydrophobicContact CD2-CD2 3.88Å; L33-L49 HydrophobicContact CG-CD2 3.75Å; M37-L49 HydrophobicContact SD-CD2 3.68Å; P44-L49 HydrophobicContact CB-CD2 4.11Å; P44-L49 HydrophobicContact CB-CG 4.08Å; P44-L49 HydrophobicContact CG-CD1 4.34Å; P44-L49 HydrophobicContact CG-CD2 3.75Å; P44-L49 HydrophobicContact CG-CG 4.03Å; T45-L49 WeakPolarHBondContact O-CG 3.2Å; T45-L49 PolarHBondContact O-N 2.83Å; A47-L49 VanDerWaalsContact C-N 3.32Å; A47-L49 PolarHBondContact O-N 3.01Å; L49-L53 WeakPolarHBondContact O-CG 3.39Å; L49-L53 PolarHBondContact O-N 2.66Å
50R84.2Confident82.9Confident153 Ų15386.5 Ų86.558%0.57747%0.465SS*.Hα-helixtrans-72.4-42.6177.8-173.2179.8-65.2171.74.4111.4E46 A47 E48 L53 S54E46-R50 WeakPolarHBondContact O-CB 3.44Å; E46-R50 PolarHBondContact O-N 2.98Å; E46-R50 IonicContact OE1-NH2 3.49Å; E46-R50 PolarHBondContact OE1-NH2 3.35Å; A47-R50 PolarHBondContact O-N 3.07Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 3.33Å; R50-L53 PolarHBondContact O-N 3.16Å; R50-S54 WeakPolarHBondContact O-CB 3.28Å; R50-S54 PolarHBondContact O-N 3.19Å; R50-S54 PolarHBondContact O-OG 3.2Å
51D84.8Confident83.2Confident98 Ų9884 Ų8452%0.52445%0.452SS..Hα-helixtrans-59-50.7174.4-79.5-52.7000109.6A47 E48 L53 S54 E55A47-D51 PolarHBondContact O-N 2.91Å; E48-D51 PolarHBondContact O-N 2.98Å; D51-L53 VanDerWaalsContact C-N 3.34Å; D51-L53 PolarHBondContact O-N 3.37Å; D51-S54 WeakPolarHBondContact CA-OG 3.25Å; D51-S54 PolarHBondContact O-N 3.09Å; D51-S54 PolarHBondContact O-OG 3.32Å; D51-E55 WeakPolarHBondContact O-CG 3.44Å; D51-E55 PolarHBondContact O-N 3.01Å
52M81Confident83.4Confident54 Ų5482.8 Ų82.827%0.26644%0.439SS..Hα-helixtrans-55.2-46.2176.6-73.6177.172.200112.6L33 M37 E48 E55 I56L33-M52 HydrophobicContact CD2-CB 4.38Å; M37-M52 HydrophobicContact CE-CE 3.75Å; M37-M52 HydrophobicContact CE-SD 3.81Å; M37-M52 HydrophobicContact SD-CE 3.83Å; M37-M52 HydrophobicContact SD-SD 3.89Å; E48-M52 WeakPolarHBondContact O-CB 3.09Å; E48-M52 WeakPolarHBondContact O-CG 3.5Å; E48-M52 PolarHBondContact O-N 2.97Å; M52-E55 PolarHBondContact O-N 3.3Å; M52-I56 WeakPolarHBondContact O-CD1 3.48Å; M52-I56 VanDerWaalsContact O-CG1 3.26Å; M52-I56 WeakPolarHBondContact O-CG1 3.17Å
53L82.9Confident83.7Confident8 Ų878.7 Ų78.74%0.04242%0.423CS..Hα-helixtrans-65.7-44.2175.8-74.3175.7000111.7T30 L33 L49 R50 D51 E55 I56 D57 V64T30-L53 VanDerWaalsContact CA-CD1 3.47Å; T30-L53 HydrophobicContact CG2-CD1 3.18Å; T30-L53 HydrophobicContact CG2-CG 4.42Å; T30-L53 VanDerWaalsContact N-CD1 3.34Å; L33-L53 HydrophobicContact CD2-CD2 3.97Å; L33-L53 HydrophobicContact CD2-CG 4.03Å; L49-L53 WeakPolarHBondContact O-CG 3.39Å; L49-L53 PolarHBondContact O-N 2.66Å; R50-L53 PolarHBondContact O-N 3.16Å; D51-L53 VanDerWaalsContact C-N 3.34Å; D51-L53 PolarHBondContact O-N 3.37Å; L53-E55 PolarHBondContact O-N 3.1Å; L53-I56 CarbonylContact O-C 3.24Å; L53-I56 PolarHBondContact O-N 3.32Å; L53-D57 WeakPolarHBondContact O-CB 3.21Å; L53-D57 PolarHBondContact O-N 3.08Å; L53-V64 HydrophobicContact CD2-CB 4.03Å; L53-V64 HydrophobicContact CD2-CG2 3.37Å
54S83.3Confident83.9Confident71 Ų7172.1 Ų72.150%0.49739%0.387SS..Hα-helixtrans-63.6-24.1-179720000113.7R50 D51 I56R50-S54 WeakPolarHBondContact O-CB 3.28Å; R50-S54 PolarHBondContact O-N 3.19Å; R50-S54 PolarHBondContact O-OG 3.2Å; D51-S54 WeakPolarHBondContact CA-OG 3.25Å; D51-S54 PolarHBondContact O-N 3.09Å; D51-S54 PolarHBondContact O-OG 3.32Å; S54-I56 VanDerWaalsContact C-N 3.27Å
55E80.6Confident84Confident158 Ų15873.3 Ų73.374%0.73839%0.393SS*.THydrogen-bonded Turntrans-73.5-20.1172.8-71.4-17198.800113D51 M52 L53D51-E55 WeakPolarHBondContact O-CG 3.44Å; D51-E55 PolarHBondContact O-N 3.01Å; M52-E55 PolarHBondContact O-N 3.3Å; L53-E55 PolarHBondContact O-N 3.1Å
56I79.3Confident83.7Confident24 Ų2472 Ų7212%0.12338%0.381CS..THydrogen-bonded Turntrans-110.3-40.8-172.6-55.8159.6000111.7M52 L53 S54 R58 V64 E68 M72M52-I56 WeakPolarHBondContact O-CD1 3.48Å; M52-I56 VanDerWaalsContact O-CG1 3.26Å; M52-I56 WeakPolarHBondContact O-CG1 3.17Å; L53-I56 CarbonylContact O-C 3.24Å; L53-I56 PolarHBondContact O-N 3.32Å; S54-I56 VanDerWaalsContact C-N 3.27Å; I56-R58 WeakPolarHBondContact O-CG 3.34Å; I56-R58 PolarHBondContact O-N 3.47Å; I56-V64 HydrophobicContact CB-CG2 3.91Å; I56-V64 HydrophobicContact CG2-CB 4.5Å; I56-V64 HydrophobicContact CG2-CG1 3.86Å; I56-V64 HydrophobicContact CG2-CG2 3.72Å; I56-E68 HydrophobicContact CG2-CB 4.11Å; I56-E68 WeakPolarHBondContact CG2-O 3.28Å; I56-M72 HydrophobicContact CD1-CB 4.22Å; I56-M72 HydrophobicContact CD1-CG 3.79Å; I56-M72 HydrophobicContact CD1-SD 3.21Å; I56-M72 WeakPolarHBondContact CD1-SD 3.5Å; I56-M72 HydrophobicContact CG1-CB 4.03Å; I56-M72 HydrophobicContact CG1-CG 3.87Å; I56-M72 HydrophobicContact CG1-SD 4.01Å; I56-M72 HydrophobicContact CG2-CB 3.9Å
57D84.1Confident83.6Confident23 Ų2369.7 Ų69.712%0.12338%0.377CS..  trans-64.794.1177.8176.49000109.3L53 G60 N61 G62 V64L53-D57 WeakPolarHBondContact O-CB 3.21Å; L53-D57 PolarHBondContact O-N 3.08Å; D57-G60 WeakPolarHBondContact OD1-CA 3Å; D57-G60 PolarHBondContact OD1-N 2.83Å; D57-G60 VanDerWaalsContact OD2-C 3.31Å; D57-G60 WeakPolarHBondContact OD2-CA 3.2Å; D57-N61 PolarHBondContact OD1-N 3.43Å; D57-N61 PolarHBondContact OD2-N 3.18Å; D57-G62 VanDerWaalsContact OD2-CA 3.29Å; D57-G62 WeakPolarHBondContact OD2-CA 3.27Å; D57-G62 PolarHBondContact OD2-N 3.06Å; D57-V64 HydrophobicContact CB-CG2 4.47Å
58R78.5Confident83.5Confident213 Ų21367.7 Ų67.780%0.80436%0.358SS*.SBendtrans-83.4-28.9-175.6-71.2-175.8179.1177.62.3111.4I56 E68I56-R58 WeakPolarHBondContact O-CG 3.34Å; I56-R58 PolarHBondContact O-N 3.47Å; R58-E68 PolarHBondContact N-OE1 2.96Å
59D82.9Confident83.4Confident98 Ų9863.2 Ų63.252%0.52434%0.337SS..SBendtrans-86.7-12.4179.579.3-5.5000112.7N61 E68D59-N61 VanDerWaalsContact C-N 3.32Å; D59-N61 VanDerWaalsContact CG-ND2 3.26Å; D59-N61 WeakPolarHBondContact OD1-CB 3.35Å; D59-N61 PolarHBondContact OD1-N 2.9Å; D59-N61 PolarHBondContact OD1-ND2 3.48Å; D59-N61 PolarHBondContact OD2-ND2 3.18Å; D59-E68 PolarHBondContact N-OE1 3.45Å
60G81.6Confident83.1Confident59 Ų5964.1 Ų64.161%0.60834%0.341SS*.  trans73.323.4176.500000112.9D57 G62D57-G60 WeakPolarHBondContact OD1-CA 3Å; D57-G60 PolarHBondContact OD1-N 2.83Å; D57-G60 VanDerWaalsContact OD2-C 3.31Å; D57-G60 WeakPolarHBondContact OD2-CA 3.2Å; G60-G62 VanDerWaalsContact C-N 3.26Å; G60-G62 PolarHBondContact O-N 2.72Å
61N83.8Confident82.7Confident79 Ų7958.3 Ų58.342%0.42233%0.329SS..SBendtrans-80.5-7.5-175.775.625.6000113.1D57 D59 T63D57-N61 PolarHBondContact OD1-N 3.43Å; D57-N61 PolarHBondContact OD2-N 3.18Å; D59-N61 VanDerWaalsContact C-N 3.32Å; D59-N61 VanDerWaalsContact CG-ND2 3.26Å; D59-N61 WeakPolarHBondContact OD1-CB 3.35Å; D59-N61 PolarHBondContact OD1-N 2.9Å; D59-N61 PolarHBondContact OD1-ND2 3.48Å; D59-N61 PolarHBondContact OD2-ND2 3.18Å; N61-T63 WeakPolarHBondContact OD1-CA 3.39Å; N61-T63 WeakPolarHBondContact OD1-CB 3.29Å; N61-T63 PolarHBondContact OD1-N 3.47Å; N61-T63 PolarHBondContact OD1-O 2.84Å; N61-T63 PolarHBondContact OD1-OG1 3.4Å
62G82.9Confident82.3Confident43 Ų4355.9 Ų55.944%0.44332%0.315SS..SBendtrans848.817900000114.6D57 G60D57-G62 VanDerWaalsContact OD2-CA 3.29Å; D57-G62 WeakPolarHBondContact OD2-CA 3.27Å; D57-G62 PolarHBondContact OD2-N 3.06Å; G60-G62 VanDerWaalsContact C-N 3.26Å; G60-G62 PolarHBondContact O-N 2.72Å
63T85.9Confident81.9Confident30 Ų3055.2 Ų55.218%0.18431%0.312CS..EExtended strand (participates in β ladder)trans-134.6162.9176.264.50000109.5C27 I28 T29 N61C27-T63 HydrophobicContact CB-CG2 4.49Å; I28-T63 WeakPolarHBondContact O-CA 3.29Å; T29-T63 HydrophobicContact CG2-CG2 3.96Å; N61-T63 WeakPolarHBondContact OD1-CA 3.39Å; N61-T63 WeakPolarHBondContact OD1-CB 3.29Å; N61-T63 PolarHBondContact OD1-N 3.47Å; N61-T63 PolarHBondContact OD1-O 2.84Å; N61-T63 PolarHBondContact OD1-OG1 3.4Å
64V87Confident81.2Confident3 Ų356.5 Ų56.52%0.01832%0.324CS..EExtended strand (participates in β ladder)trans-113.4117.3176.7163.80000109.3I28 L53 I56 D57 E68 F69I28-V64 HydrophobicContact CB-CB 4.39Å; I28-V64 PolarHBondContact N-O 3.09Å; I28-V64 PolarHBondContact O-N 3.01Å; L53-V64 HydrophobicContact CD2-CB 4.03Å; L53-V64 HydrophobicContact CD2-CG2 3.37Å; I56-V64 HydrophobicContact CB-CG2 3.91Å; I56-V64 HydrophobicContact CG2-CB 4.5Å; I56-V64 HydrophobicContact CG2-CG1 3.86Å; I56-V64 HydrophobicContact CG2-CG2 3.72Å; D57-V64 HydrophobicContact CB-CG2 4.47Å; V64-E68 WeakPolarHBondContact CA-OE2 3.44Å; V64-E68 HydrophobicContact CG1-CB 3.99Å; V64-F69 HydrophobicContact CG1-CB 3.85Å
65D88.7Confident80.4Confident46 Ų4661.8 Ų61.825%0.24633%0.333CS..EExtended strand (participates in β ladder)trans-78.9168.9174.77523.3000112.1P67 E68 F69D65-P67 WeakPolarHBondContact OD1-CB 3.26Å; D65-P67 WeakPolarHBondContact OD1-CD 3.26Å; D65-E68 PolarHBondContact N-OE2 3.46Å; D65-E68 PolarHBondContact O-N 3.15Å; D65-E68 WeakPolarHBondContact OD1-CB 3.38Å; D65-E68 VanDerWaalsContact OD1-CG 3.23Å; D65-E68 WeakPolarHBondContact OD1-CG 3.33Å; D65-E68 PolarHBondContact OD1-N 2.87Å; D65-F69 WeakPolarHBondContact O-CB 3.43Å; D65-F69 PolarHBondContact O-N 2.85Å
66F83.4Confident79.6Confident48 Ų4860.1 Ų60.121%0.21132%0.323CS..Hα-helixtrans-58.9-45.1179.8-179.3-111.7000113.6I10 K14 F17 E68 F69 L70I10-F66 HydrophobicContact CG2-CE1 4.42Å; I10-F66 HydrophobicContact CG2-CZ 4.25Å; K14-F66 HydrophobicContact CB-CE2 3.9Å; K14-F66 HydrophobicContact CB-CZ 3.84Å; K14-F66 HydrophobicContact CG-CE2 4.17Å; K14-F66 HydrophobicContact CG-CZ 4.16Å; F17-F66 HydrophobicContact CB-CD2 3.87Å; F17-F66 HydrophobicContact CB-CE2 4.1Å; F17-F66 HydrophobicContact CD1-CD2 4.23Å; F17-F66 HydrophobicContact CD2-CB 4.35Å; F17-F66 AromaticContact CD2-CD2 3.8Å; F17-F66 HydrophobicContact CD2-CD2 3.8Å; F17-F66 HydrophobicContact CE1-CB 4.47Å; F17-F66 HydrophobicContact CE2-CB 4.12Å; F17-F66 HydrophobicContact CE2-CD2 4.4Å; F17-F66 AromaticContact CG-CD2 3.7Å; F17-F66 HydrophobicContact CG-CD2 3.7Å; F17-F66 HydrophobicContact CG-CE2 4.43Å; F17-F66 HydrophobicContact CZ-CB 4.19Å; F66-E68 PolarHBondContact O-N 3.44Å; F66-F69 PolarHBondContact O-N 3.12Å; F66-L70 HydrophobicContact CD1-CD1 3.93Å; F66-L70 HydrophobicContact CD1-CG 4.49Å; F66-L70 HydrophobicContact CE1-CD1 3.46Å; F66-L70 VanDerWaalsContact CE1-CD1 3.46Å; F66-L70 HydrophobicContact CE1-CG 4.11Å; F66-L70 HydrophobicContact CE2-CD1 4.35Å; F66-L70 HydrophobicContact CE2-CD2 4.35Å; F66-L70 HydrophobicContact CE2-CG 4.1Å; F66-L70 HydrophobicContact CZ-CD1 3.7Å; F66-L70 HydrophobicContact CZ-CD2 4.08Å; F66-L70 HydrophobicContact CZ-CG 3.9Å; F66-L70 WeakPolarHBondContact O-CB 3.45Å; F66-L70 WeakPolarHBondContact O-CG 3.31Å; F66-L70 PolarHBondContact O-N 3.46Å
67P83.3Confident78.5Confident86 Ų8662.5 Ų62.556%0.55834%0.335SS*.Hα-helixtrans-54-43.2170.3-26.730.7000115.3D65 L70 G71D65-P67 WeakPolarHBondContact OD1-CB 3.26Å; D65-P67 WeakPolarHBondContact OD1-CD 3.26Å; P67-L70 PolarHBondContact O-N 2.82Å; P67-G71 PolarHBondContact O-N 3.32Å
68E84.9Confident77.3Confident17 Ų1767.9 Ų67.98%0.07936%0.357CS..Hα-helixtrans-68.5-42.4178.4-72.6174.9143.600111.3I56 R58 D59 V64 D65 F66 L70 G71 M72I56-E68 HydrophobicContact CG2-CB 4.11Å; I56-E68 WeakPolarHBondContact CG2-O 3.28Å; R58-E68 PolarHBondContact N-OE1 2.96Å; D59-E68 PolarHBondContact N-OE1 3.45Å; V64-E68 WeakPolarHBondContact CA-OE2 3.44Å; V64-E68 HydrophobicContact CG1-CB 3.99Å; D65-E68 PolarHBondContact N-OE2 3.46Å; D65-E68 PolarHBondContact O-N 3.15Å; D65-E68 WeakPolarHBondContact OD1-CB 3.38Å; D65-E68 VanDerWaalsContact OD1-CG 3.23Å; D65-E68 WeakPolarHBondContact OD1-CG 3.33Å; D65-E68 PolarHBondContact OD1-N 2.87Å; F66-E68 PolarHBondContact O-N 3.44Å; E68-L70 PolarHBondContact O-N 3.05Å; E68-G71 PolarHBondContact O-N 3.42Å; E68-G71 VanDerWaalsContact O-N 3.14Å; E68-M72 PolarHBondContact O-N 3.31Å
69F82.2Confident76.2Confident7 Ų762.7 Ų62.73%0.03135%0.345CS..Hα-helixtrans-60.4-42.9173.1-176.4-97.9000112.2A16 F17 F20 I28 V64 D65 F66 G71 M72 M73A16-F69 HydrophobicContact CB-CE1 4.48Å; A16-F69 HydrophobicContact CB-CZ 4.47Å; F17-F69 HydrophobicContact CB-CD1 4.18Å; F17-F69 HydrophobicContact CB-CE1 4.08Å; F17-F69 HydrophobicContact CD2-CB 3.71Å; F17-F69 AromaticContact CD2-CD1 3.75Å; F17-F69 HydrophobicContact CD2-CD1 3.75Å; F17-F69 HydrophobicContact CD2-CD2 4.12Å; F17-F69 HydrophobicContact CD2-CE1 4.32Å; F17-F69 AromaticContact CD2-CG 3.61Å; F17-F69 HydrophobicContact CD2-CG 3.61Å; F17-F69 HydrophobicContact CE2-CB 3.9Å; F17-F69 HydrophobicContact CE2-CG 4.23Å; F17-F69 HydrophobicContact CG-CD1 4.47Å; F20-F69 AromaticContact CD2-CE2 3.8Å; F20-F69 HydrophobicContact CD2-CE2 3.8Å; F20-F69 AromaticContact CD2-CZ 3.8Å; F20-F69 HydrophobicContact CD2-CZ 3.8Å; F20-F69 AromaticContact CE2-CE2 3.89Å; F20-F69 HydrophobicContact CE2-CE2 3.89Å; F20-F69 AromaticContact CE2-CZ 3.77Å; F20-F69 HydrophobicContact CE2-CZ 3.77Å; F20-F69 HydrophobicContact CG-CE2 4.48Å; I28-F69 HydrophobicContact CD1-CD2 3.63Å; I28-F69 HydrophobicContact CD1-CE2 3.94Å; I28-F69 HydrophobicContact CD1-CG 4.31Å; V64-F69 HydrophobicContact CG1-CB 3.85Å; D65-F69 WeakPolarHBondContact O-CB 3.43Å; D65-F69 PolarHBondContact O-N 2.85Å; F66-F69 PolarHBondContact O-N 3.12Å; F69-G71 VanDerWaalsContact C-N 3.32Å; F69-G71 PolarHBondContact O-N 3.44Å; F69-M72 HydrophobicContact CD2-CE 3.79Å; F69-M72 HydrophobicContact CE2-CE 3.77Å; F69-M72 HydrophobicContact CZ-CE 4.49Å; F69-M72 PolarHBondContact O-N 3.3Å; F69-M73 HydrophobicContact CD1-CG 4Å; F69-M73 HydrophobicContact CE1-CE 3.93Å; F69-M73 HydrophobicContact CE1-CG 3.67Å; F69-M73 HydrophobicContact CE2-CE 4.39Å; F69-M73 HydrophobicContact CE2-CG 4.46Å; F69-M73 HydrophobicContact CZ-CE 3.55Å; F69-M73 HydrophobicContact CZ-CG 3.95Å; F69-M73 HydrophobicContact CZ-SD 4.42Å; F69-M73 WeakPolarHBondContact O-CB 3.44Å; F69-M73 WeakPolarHBondContact O-CG 3.16Å; F69-M73 PolarHBondContact O-N 2.75Å
70L80.6Confident74.8Confident29 Ų2961.5 Ų61.515%0.15234%0.341CS..Hα-helixtrans-61.3-42.2173.3-79.7173.9000111.4L5 F13 F66 P67 E68 M72 M73 A74L5-L70 HydrophobicContact CD1-CD2 3.83Å; F13-L70 HydrophobicContact CB-CD2 3.56Å; F13-L70 HydrophobicContact CD2-CD2 3.43Å; F13-L70 VanDerWaalsContact CD2-CD2 3.43Å; F13-L70 HydrophobicContact CE2-CD2 4.36Å; F13-L70 HydrophobicContact CG-CD2 3.8Å; F66-L70 HydrophobicContact CD1-CD1 3.93Å; F66-L70 HydrophobicContact CD1-CG 4.49Å; F66-L70 HydrophobicContact CE1-CD1 3.46Å; F66-L70 VanDerWaalsContact CE1-CD1 3.46Å; F66-L70 HydrophobicContact CE1-CG 4.11Å; F66-L70 HydrophobicContact CE2-CD1 4.35Å; F66-L70 HydrophobicContact CE2-CD2 4.35Å; F66-L70 HydrophobicContact CE2-CG 4.1Å; F66-L70 HydrophobicContact CZ-CD1 3.7Å; F66-L70 HydrophobicContact CZ-CD2 4.08Å; F66-L70 HydrophobicContact CZ-CG 3.9Å; F66-L70 WeakPolarHBondContact O-CB 3.45Å; F66-L70 WeakPolarHBondContact O-CG 3.31Å; F66-L70 PolarHBondContact O-N 3.46Å; P67-L70 PolarHBondContact O-N 2.82Å; E68-L70 PolarHBondContact O-N 3.05Å; L70-M72 VanDerWaalsContact C-N 3.32Å; L70-M72 PolarHBondContact O-N 2.75Å; L70-M73 PolarHBondContact O-N 3.41Å; L70-A74 WeakPolarHBondContact O-CB 3.43Å; L70-A74 PolarHBondContact O-N 3.39Å
71G75.9Confident73.6Confident30 Ų3063 Ų6331%0.30934%0.335SS..Hα-helixtrans-60.7-40.8175.700000112.8P67 E68 F69 R75P67-G71 PolarHBondContact O-N 3.32Å; E68-G71 PolarHBondContact O-N 3.42Å; E68-G71 VanDerWaalsContact O-N 3.14Å; F69-G71 VanDerWaalsContact C-N 3.32Å; F69-G71 PolarHBondContact O-N 3.44Å; G71-R75 WeakPolarHBondContact O-CB 3.39Å; G71-R75 PolarHBondContact O-N 3.35Å
72M75.9Confident72.7Confident48 Ų4863 Ų6324%0.23634%0.335CS..Hα-helixtrans-65-52.4173.2-179.4-155.758.700111.2I56 E68 F69 L70 A74 R75 K76I56-M72 HydrophobicContact CD1-CB 4.22Å; I56-M72 HydrophobicContact CD1-CG 3.79Å; I56-M72 HydrophobicContact CD1-SD 3.21Å; I56-M72 WeakPolarHBondContact CD1-SD 3.5Å; I56-M72 HydrophobicContact CG1-CB 4.03Å; I56-M72 HydrophobicContact CG1-CG 3.87Å; I56-M72 HydrophobicContact CG1-SD 4.01Å; I56-M72 HydrophobicContact CG2-CB 3.9Å; E68-M72 PolarHBondContact O-N 3.31Å; F69-M72 HydrophobicContact CD2-CE 3.79Å; F69-M72 HydrophobicContact CE2-CE 3.77Å; F69-M72 HydrophobicContact CZ-CE 4.49Å; F69-M72 PolarHBondContact O-N 3.3Å; L70-M72 VanDerWaalsContact C-N 3.32Å; L70-M72 PolarHBondContact O-N 2.75Å; M72-A74 VanDerWaalsContact C-N 3.34Å; M72-A74 PolarHBondContact O-N 2.86Å; M72-R75 WeakPolarHBondContact O-CB 3.32Å; M72-R75 PolarHBondContact O-N 2.83Å; M72-R75 VanDerWaalsContact O-N 3.15Å; M72-K76 WeakPolarHBondContact O-CB 3.5Å; M72-K76 PolarHBondContact O-N 3.32Å
73M71.8Confident72Confident39 Ų3965.5 Ų65.519%0.19234%0.336CS..Hα-helixtrans-63.3-40.1-176.5-77.7-63.3-138.400112.1F13 A16 F69 L70 R75 K76 M77F13-M73 HydrophobicContact CD1-CB 3.82Å; F13-M73 HydrophobicContact CD1-CE 4.31Å; F13-M73 HydrophobicContact CD1-CG 3.89Å; F13-M73 HydrophobicContact CE1-CB 3.5Å; F13-M73 HydrophobicContact CE1-CE 4.47Å; F13-M73 HydrophobicContact CE1-CG 3.91Å; F13-M73 HydrophobicContact CE1-SD 4.29Å; F13-M73 HydrophobicContact CE2-CB 4.46Å; F13-M73 HydrophobicContact CG-CB 4.44Å; F13-M73 HydrophobicContact CZ-CB 3.82Å; A16-M73 HydrophobicContact CB-CE 4.44Å; F69-M73 HydrophobicContact CD1-CG 4Å; F69-M73 HydrophobicContact CE1-CE 3.93Å; F69-M73 HydrophobicContact CE1-CG 3.67Å; F69-M73 HydrophobicContact CE2-CE 4.39Å; F69-M73 HydrophobicContact CE2-CG 4.46Å; F69-M73 HydrophobicContact CZ-CE 3.55Å; F69-M73 HydrophobicContact CZ-CG 3.95Å; F69-M73 HydrophobicContact CZ-SD 4.42Å; F69-M73 WeakPolarHBondContact O-CB 3.44Å; F69-M73 WeakPolarHBondContact O-CG 3.16Å; F69-M73 PolarHBondContact O-N 2.75Å; L70-M73 PolarHBondContact O-N 3.41Å; M73-R75 VanDerWaalsContact C-N 3.31Å; M73-R75 PolarHBondContact O-N 2.74Å; M73-K76 PolarHBondContact O-N 2.98Å; M73-M77 WeakPolarHBondContact O-CB 3.33Å; M73-M77 PolarHBondContact O-N 2.71Å
74A68.8Low71.3Confident36 Ų3670 Ų7030%0.29836%0.355SS..Hα-helixtrans-61.1-40.7174.300000111.8L5 L70 M72 K78L5-A74 HydrophobicContact CD1-CB 4.21Å; L5-A74 HydrophobicContact CD2-CB 4.3Å; L70-A74 WeakPolarHBondContact O-CB 3.43Å; L70-A74 PolarHBondContact O-N 3.39Å; M72-A74 VanDerWaalsContact C-N 3.34Å; M72-A74 PolarHBondContact O-N 2.86Å; A74-K78 WeakPolarHBondContact O-CB 3.35Å; A74-K78 PolarHBondContact O-N 3.06Å
75R66.7Low70.7Confident181 Ų18175.9 Ų75.968%0.68338%0.382SS*.Hα-helixtrans-67.8-47176.3-171.5177.7-177.1-172.4-0.3111.1G71 M72 M73 K78 D79G71-R75 WeakPolarHBondContact O-CB 3.39Å; G71-R75 PolarHBondContact O-N 3.35Å; M72-R75 WeakPolarHBondContact O-CB 3.32Å; M72-R75 PolarHBondContact O-N 2.83Å; M72-R75 VanDerWaalsContact O-N 3.15Å; M73-R75 VanDerWaalsContact C-N 3.31Å; M73-R75 PolarHBondContact O-N 2.74Å; R75-K78 WeakPolarHBondContact O-CB 3.32Å; R75-K78 PolarHBondContact O-N 3.31Å; R75-K78 VanDerWaalsContact O-N 3.16Å; R75-D79 PolarHBondContact O-N 3.06Å; R75-D79 VanDerWaalsContact O-OD2 3.13Å
76K63.2Low70.2Confident124 Ų12474.6 Ų74.654%0.53938%0.375SS..Hα-helixtrans-69.2-35.6-177-152.8-179.6-175.6-173.50113M72 M73 D79 T80M72-K76 WeakPolarHBondContact O-CB 3.5Å; M72-K76 PolarHBondContact O-N 3.32Å; M73-K76 PolarHBondContact O-N 2.98Å; K76-D79 PolarHBondContact O-N 2.84Å; K76-T80 WeakPolarHBondContact O-CB 3.47Å; K76-T80 PolarHBondContact O-N 3.37Å; K76-T80 PolarHBondContact O-OG1 3.38Å
77M57.3Low70.1Confident74 Ų7476.6 Ų76.637%0.36538%0.381SS..Hα-helixtrans-61.4-46.8168.5-84.9-164.2166.100110.2F13 M73 D79 T80 D81F13-M77 HydrophobicContact CE1-CE 3.71Å; F13-M77 HydrophobicContact CE1-SD 4.05Å; F13-M77 HydrophobicContact CE2-SD 4.42Å; F13-M77 HydrophobicContact CZ-CE 3.67Å; F13-M77 HydrophobicContact CZ-CG 4.24Å; F13-M77 HydrophobicContact CZ-SD 3.43Å; F13-M77 WeakPolarHBondContact CZ-SD 3.33Å; M73-M77 WeakPolarHBondContact O-CB 3.33Å; M73-M77 PolarHBondContact O-N 2.71Å; M77-D79 PolarHBondContact O-N 2.88Å; M77-T80 PolarHBondContact O-N 3.06Å; M77-D81 WeakPolarHBondContact O-CB 3.47Å; M77-D81 PolarHBondContact O-N 3.2Å; M77-D81 VanDerWaalsContact O-OD2 3.14Å
78K57.8Low70.1Confident136 Ų13678.7 Ų78.759%0.59138%0.383SS*.Hα-helixtrans-57.8-35.6176.9-138.8178.6-172.8-176.80113.6A74 R75 N82A74-K78 WeakPolarHBondContact O-CB 3.35Å; A74-K78 PolarHBondContact O-N 3.06Å; R75-K78 WeakPolarHBondContact O-CB 3.32Å; R75-K78 PolarHBondContact O-N 3.31Å; R75-K78 VanDerWaalsContact O-N 3.16Å; K78-N82 VanDerWaalsContact O-CB 3.26Å; K78-N82 WeakPolarHBondContact O-CB 3.11Å; K78-N82 PolarHBondContact O-N 2.9Å; K78-N82 PolarHBondContact O-ND2 2.84Å
79D56.7Low70Confident103 Ų10379.3 Ų79.355%0.55139%0.392SS*.Hα-helixtrans-76.3-36.8175-75.3-63000112.7R75 K76 M77 E83R75-D79 PolarHBondContact O-N 3.06Å; R75-D79 VanDerWaalsContact O-OD2 3.13Å; K76-D79 PolarHBondContact O-N 2.84Å; M77-D79 PolarHBondContact O-N 2.88Å; D79-E83 PolarHBondContact O-N 2.78Å; D79-E83 VanDerWaalsContact O-N 3.15Å
80T52.4Low70.1Confident74 Ų7479.6 Ų79.645%0.45439%0.393SS..Hα-helixtrans-79.9-44.3-176.8-50.50000112.5K76 M77 N82 E83 E84K76-T80 WeakPolarHBondContact O-CB 3.47Å; K76-T80 PolarHBondContact O-N 3.37Å; K76-T80 PolarHBondContact O-OG1 3.38Å; M77-T80 PolarHBondContact O-N 3.06Å; T80-N82 VanDerWaalsContact C-N 3.26Å; T80-N82 PolarHBondContact O-N 3.34Å; T80-E83 PolarHBondContact O-N 3.03Å; T80-E83 VanDerWaalsContact O-N 3.12Å; T80-E84 PolarHBondContact O-N 3.24Å
81D57.1Low70.3Confident89 Ų8986.1 Ų86.148%0.47642%0.415SS..Hα-helixtrans-58.1-42.4171.7-82-85000109.9M77 E83 E84 E85M77-D81 WeakPolarHBondContact O-CB 3.47Å; M77-D81 PolarHBondContact O-N 3.2Å; M77-D81 VanDerWaalsContact O-OD2 3.14Å; D81-E83 PolarHBondContact O-N 3.16Å; D81-E84 PolarHBondContact O-N 3.2Å; D81-E85 VanDerWaalsContact O-CB 3.26Å; D81-E85 WeakPolarHBondContact O-CB 3.22Å; D81-E85 VanDerWaalsContact O-CG 3.32Å; D81-E85 WeakPolarHBondContact O-CG 3.45Å; D81-E85 PolarHBondContact O-N 3.1Å
82N63.3Low70.7Confident80 Ų8088.6 Ų88.643%0.42842%0.424SS..Hα-helixtrans-59.3-43.6173.2-88.9-5.5000112.3K78 T80 I86K78-N82 VanDerWaalsContact O-CB 3.26Å; K78-N82 WeakPolarHBondContact O-CB 3.11Å; K78-N82 PolarHBondContact O-N 2.9Å; K78-N82 PolarHBondContact O-ND2 2.84Å; T80-N82 VanDerWaalsContact C-N 3.26Å; T80-N82 PolarHBondContact O-N 3.34Å; N82-I86 HydrophobicContact CB-CD1 4.39Å; N82-I86 WeakPolarHBondContact O-CB 3.47Å; N82-I86 WeakPolarHBondContact O-CD1 3.49Å; N82-I86 WeakPolarHBondContact O-CG1 3.38Å; N82-I86 PolarHBondContact O-N 3.26Å
83E69.6Low71.2Confident96 Ų9687.3 Ų87.345%0.44942%0.417SS..Hα-helixtrans-65.5-44.9-179.3-168.9-172.6102.900112.3D79 T80 D81 I86 R87D79-E83 PolarHBondContact O-N 2.78Å; D79-E83 VanDerWaalsContact O-N 3.15Å; T80-E83 PolarHBondContact O-N 3.03Å; T80-E83 VanDerWaalsContact O-N 3.12Å; D81-E83 PolarHBondContact O-N 3.16Å; E83-I86 PolarHBondContact O-N 3.43Å; E83-R87 VanDerWaalsContact O-CB 3.29Å; E83-R87 WeakPolarHBondContact O-CB 3.34Å; E83-R87 PolarHBondContact O-N 2.99Å; E83-R87 IonicContact OE1-CZ 3.64Å; E83-R87 IonicContact OE1-NH1 3.37Å; E83-R87 IonicContact OE1-NH2 3.52Å; E83-R87 PolarHBondContact OE1-NH2 3.15Å
84E71.7Confident71.9Confident124 Ų12486.2 Ų86.258%0.57941%0.412SS*.Hα-helixtrans-66.9-43.6177.3-75.1-154.1110.600111.8T80 D81 I86 R87 E88T80-E84 PolarHBondContact O-N 3.24Å; D81-E84 PolarHBondContact O-N 3.2Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-I86 PolarHBondContact O-N 3.2Å; E84-R87 PolarHBondContact O-N 3.26Å; E84-E88 WeakPolarHBondContact O-CG 3.39Å; E84-E88 PolarHBondContact O-N 3.03Å
85E73.6Confident72.5Confident126 Ų12690.8 Ų90.859%0.58943%0.425SS*.Hα-helixtrans-60.9-42.4174.6-77-16989.700111.7D81 R87 E88 A89D81-E85 VanDerWaalsContact O-CB 3.26Å; D81-E85 WeakPolarHBondContact O-CB 3.22Å; D81-E85 VanDerWaalsContact O-CG 3.32Å; D81-E85 WeakPolarHBondContact O-CG 3.45Å; D81-E85 PolarHBondContact O-N 3.1Å; E85-R87 VanDerWaalsContact C-N 3.33Å; E85-R87 PolarHBondContact O-N 3.37Å; E85-E88 PolarHBondContact O-N 3.03Å; E85-A89 VanDerWaalsContact O-CB 3.27Å; E85-A89 WeakPolarHBondContact O-CB 3.12Å; E85-A89 PolarHBondContact O-N 3.48Å
86I77.9Confident73.5Confident19 Ų1987.1 Ų87.110%0.09742%0.42CS..Hα-helixtrans-65.7-38.2176.6-69163.1000110.6N82 E83 E84 A89 F90 Y139 F142 V143 L146 V147N82-I86 HydrophobicContact CB-CD1 4.39Å; N82-I86 WeakPolarHBondContact O-CB 3.47Å; N82-I86 WeakPolarHBondContact O-CD1 3.49Å; N82-I86 WeakPolarHBondContact O-CG1 3.38Å; N82-I86 PolarHBondContact O-N 3.26Å; E83-I86 PolarHBondContact O-N 3.43Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-I86 PolarHBondContact O-N 3.2Å; I86-A89 PolarHBondContact O-N 2.91Å; I86-F90 WeakPolarHBondContact O-CB 3.21Å; I86-F90 PolarHBondContact O-N 3.48Å; I86-Y139 HydrophobicContact CG2-CE2 4.35Å; I86-F142 HydrophobicContact CG2-CD1 4.06Å; I86-F142 HydrophobicContact CG2-CE1 4.26Å; I86-V143 HydrophobicContact CG2-CB 4.42Å; I86-V143 HydrophobicContact CG2-CG2 3.58Å; I86-L146 HydrophobicContact CB-CD1 4.49Å; I86-L146 HydrophobicContact CG1-CD1 4.04Å; I86-L146 HydrophobicContact CG2-CD1 3.99Å; I86-V147 HydrophobicContact CD1-CG2 4.07Å
87R81.9Confident74.5Confident90 Ų9084.1 Ų84.134%0.3442%0.423SS..Hα-helixtrans-68.6-40177.2-171.7-179.7-72.1138.63.2112E83 E84 E85 F90 R91 Y139E83-R87 VanDerWaalsContact O-CB 3.29Å; E83-R87 WeakPolarHBondContact O-CB 3.34Å; E83-R87 PolarHBondContact O-N 2.99Å; E83-R87 IonicContact OE1-CZ 3.64Å; E83-R87 IonicContact OE1-NH1 3.37Å; E83-R87 IonicContact OE1-NH2 3.52Å; E83-R87 PolarHBondContact OE1-NH2 3.15Å; E84-R87 PolarHBondContact O-N 3.26Å; E85-R87 VanDerWaalsContact C-N 3.33Å; E85-R87 PolarHBondContact O-N 3.37Å; R87-F90 PolarHBondContact O-N 2.77Å; R87-R91 WeakPolarHBondContact O-CG 3.29Å; R87-R91 PolarHBondContact O-N 2.74Å; R87-R91 VanDerWaalsContact O-N 3.08Å; R87-Y139 HydrophobicContact CB-CE2 4.23Å; R87-Y139 HydrophobicContact CG-CE2 4.46Å
88E83.1Confident76Confident130 Ų13083.9 Ų83.961%0.60742%0.424SS*.Hα-helixtrans-66-43.9173-70.7-135.7108.100111.3E84 E85 F90 R91 V92E84-E88 WeakPolarHBondContact O-CG 3.39Å; E84-E88 PolarHBondContact O-N 3.03Å; E85-E88 PolarHBondContact O-N 3.03Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 3.28Å; E88-R91 WeakPolarHBondContact O-CB 3.26Å; E88-R91 PolarHBondContact O-N 3.04Å; E88-V92 WeakPolarHBondContact O-CG2 3.38Å; E88-V92 PolarHBondContact O-N 3.28Å
89A81.9Confident77.4Confident31 Ų3179 Ų7926%0.25641%0.411SS..Hα-helixtrans-57.3-48173.800000110.8E85 I86 R91 V92 F93 F142E85-A89 VanDerWaalsContact O-CB 3.27Å; E85-A89 WeakPolarHBondContact O-CB 3.12Å; E85-A89 PolarHBondContact O-N 3.48Å; I86-A89 PolarHBondContact O-N 2.91Å; A89-R91 VanDerWaalsContact C-N 3.31Å; A89-R91 PolarHBondContact O-N 2.92Å; A89-V92 WeakPolarHBondContact O-CA 3.38Å; A89-V92 WeakPolarHBondContact O-CB 3.18Å; A89-V92 PolarHBondContact O-N 3.46Å; A89-F93 WeakPolarHBondContact O-CD2 3.5Å; A89-F93 PolarHBondContact O-N 3.47Å; A89-F142 HydrophobicContact CB-CE1 4.23Å; A89-F142 HydrophobicContact CB-CZ 4.41Å
90F84.6Confident79Confident13 Ų1377.5 Ų77.56%0.05740%0.4CS..Hα-helixtrans-56.6-43.4177.4-169.7-96000112I86 R87 E88 V92 F93 D94 G99 V101 Y139 F142I86-F90 WeakPolarHBondContact O-CB 3.21Å; I86-F90 PolarHBondContact O-N 3.48Å; R87-F90 PolarHBondContact O-N 2.77Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 3.28Å; F90-V92 VanDerWaalsContact C-N 3.26Å; F90-V92 PolarHBondContact O-N 2.72Å; F90-F93 PolarHBondContact O-N 3.06Å; F90-F93 VanDerWaalsContact O-N 3.1Å; F90-D94 HydrophobicContact CD1-CB 4.32Å; F90-D94 HydrophobicContact CE1-CB 4.02Å; F90-D94 PolarHBondContact O-N 3.14Å; F90-G99 WeakPolarHBondContact CZ-O 3.28Å; F90-V101 HydrophobicContact CD2-CG2 4.06Å; F90-V101 HydrophobicContact CE2-CG2 3.61Å; F90-V101 HydrophobicContact CZ-CG2 3.94Å; F90-Y139 HydrophobicContact CB-CD2 4.17Å; F90-Y139 HydrophobicContact CB-CE2 4.46Å; F90-Y139 HydrophobicContact CD1-CD2 4.18Å; F90-Y139 HydrophobicContact CD2-CD2 4.18Å; F90-Y139 AromaticContact CG-CD2 3.9Å; F90-Y139 HydrophobicContact CG-CD2 3.9Å; F90-F142 HydrophobicContact CB-CD1 4.1Å; F90-F142 HydrophobicContact CB-CE1 4.08Å; F90-F142 HydrophobicContact CD2-CB 3.66Å; F90-F142 AromaticContact CD2-CD1 3.62Å; F90-F142 HydrophobicContact CD2-CD1 3.62Å; F90-F142 HydrophobicContact CD2-CD2 4.13Å; F90-F142 HydrophobicContact CD2-CE1 4.22Å; F90-F142 AromaticContact CD2-CG 3.55Å; F90-F142 HydrophobicContact CD2-CG 3.55Å; F90-F142 HydrophobicContact CE2-CB 3.81Å; F90-F142 HydrophobicContact CE2-CG 4.12Å; F90-F142 HydrophobicContact CG-CD1 4.36Å
91R85.1Confident80.7Confident166 Ų16674 Ų7463%0.62638%0.379SS*.Hα-helixtrans-65.6-24.4175.2-73.3175177.9170.22.1114.1R87 E88 A89R87-R91 WeakPolarHBondContact O-CG 3.29Å; R87-R91 PolarHBondContact O-N 2.74Å; R87-R91 VanDerWaalsContact O-N 3.08Å; E88-R91 WeakPolarHBondContact O-CB 3.26Å; E88-R91 PolarHBondContact O-N 3.04Å; A89-R91 VanDerWaalsContact C-N 3.31Å; A89-R91 PolarHBondContact O-N 2.92Å
92V85.1Confident82.3Confident82 Ų8271 Ų7150%0.49737%0.365SS..Hα-helixtrans-71.7-38.2173.2173.90000110.1E88 A89 F90 V109E88-V92 WeakPolarHBondContact O-CG2 3.38Å; E88-V92 PolarHBondContact O-N 3.28Å; A89-V92 WeakPolarHBondContact O-CA 3.38Å; A89-V92 WeakPolarHBondContact O-CB 3.18Å; A89-V92 PolarHBondContact O-N 3.46Å; F90-V92 VanDerWaalsContact C-N 3.26Å; F90-V92 PolarHBondContact O-N 2.72Å; V92-V109 HydrophobicContact CG1-CG1 3.93Å; V92-V109 VanDerWaalsContact O-CG2 3.28Å; V92-V109 WeakPolarHBondContact O-CG2 3.13Å
93F84.8Confident83.4Confident20 Ų2068.6 Ų68.69%0.08836%0.356CS..Hα-helixtrans-73.4-54.5176.8-70.6-76.3000112.9A89 F90 K95 V101 E105 L106 V109 M110 L113 F142A89-F93 WeakPolarHBondContact O-CD2 3.5Å; A89-F93 PolarHBondContact O-N 3.47Å; F90-F93 PolarHBondContact O-N 3.06Å; F90-F93 VanDerWaalsContact O-N 3.1Å; F93-K95 PolarHBondContact O-N 2.8Å; F93-V101 HydrophobicContact CB-CB 4.46Å; F93-V101 HydrophobicContact CB-CG1 3.92Å; F93-V101 HydrophobicContact CB-CG2 3.62Å; F93-E105 WeakPolarHBondContact O-CB 3.34Å; F93-L106 HydrophobicContact CD1-CD1 3.72Å; F93-L106 HydrophobicContact CE1-CD1 3.68Å; F93-V109 HydrophobicContact CD1-CB 3.62Å; F93-V109 HydrophobicContact CD1-CG1 3.59Å; F93-V109 HydrophobicContact CD1-CG2 4.08Å; F93-V109 HydrophobicContact CE1-CB 3.7Å; F93-V109 HydrophobicContact CE1-CG1 3.34Å; F93-V109 HydrophobicContact CG-CG1 4.3Å; F93-V109 HydrophobicContact CZ-CG1 3.86Å; F93-M110 HydrophobicContact CE1-CE 3.95Å; F93-M110 HydrophobicContact CZ-CE 4.01Å; F93-L113 HydrophobicContact CZ-CD1 4.49Å; F93-F142 AromaticContact CD2-CE2 3.69Å; F93-F142 HydrophobicContact CD2-CE2 3.69Å; F93-F142 AromaticContact CD2-CZ 3.45Å; F93-F142 HydrophobicContact CD2-CZ 3.45Å; F93-F142 VanDerWaalsContact CD2-CZ 3.45Å; F93-F142 HydrophobicContact CE2-CE2 4.01Å; F93-F142 AromaticContact CE2-CZ 3.66Å; F93-F142 HydrophobicContact CE2-CZ 3.66Å; F93-F142 HydrophobicContact CG-CE2 4.24Å; F93-F142 HydrophobicContact CG-CZ 4.4Å
94D87.8Confident84.3Confident17 Ų1766.5 Ų66.59%0.09136%0.355CS..  trans-72.693.7176.917712.7000110.4F90 G97 N98 G99 V101F90-D94 HydrophobicContact CD1-CB 4.32Å; F90-D94 HydrophobicContact CE1-CB 4.02Å; F90-D94 PolarHBondContact O-N 3.14Å; D94-G97 VanDerWaalsContact OD1-CA 3.28Å; D94-G97 WeakPolarHBondContact OD1-CA 3.46Å; D94-G97 PolarHBondContact OD1-N 2.82Å; D94-G97 VanDerWaalsContact OD2-C 3.3Å; D94-G97 VanDerWaalsContact OD2-CA 3.25Å; D94-G97 WeakPolarHBondContact OD2-CA 3.35Å; D94-N98 PolarHBondContact OD1-N 3.36Å; D94-N98 PolarHBondContact OD2-N 2.85Å; D94-G99 WeakPolarHBondContact OD2-CA 3.19Å; D94-G99 PolarHBondContact OD2-N 2.99Å; D94-V101 HydrophobicContact CB-CG2 4.24Å
95K81.9Confident85.1Confident131 Ų13161.3 Ų61.357%0.5733%0.331SS*.SBendtrans-79.8-32.5-173.5-97.7-73.9171.1-153.50112F93 E105F93-K95 PolarHBondContact O-N 2.8Å; K95-E105 HydrophobicContact CB-CG 4.36Å; K95-E105 PolarHBondContact N-OE1 3.09Å
96D86.7Confident85.7Confident105 Ų10556 Ų5656%0.56131%0.306SS*.SBendtrans-92.7-10.4-17871.8-113.6000113.7N98 E105D96-N98 VanDerWaalsContact CG-ND2 3.35Å; D96-N98 PolarHBondContact OD1-ND2 2.82Å; D96-N98 WeakPolarHBondContact OD2-CB 3.43Å; D96-N98 PolarHBondContact OD2-N 3.35Å; D96-N98 PolarHBondContact OD2-ND2 3.44Å; D96-E105 PolarHBondContact N-OE1 3.28Å
97G85.3Confident86.1Confident60 Ų6059.8 Ų59.862%0.61932%0.32SS*.  trans76.924.7171.600000113D94 G99D94-G97 VanDerWaalsContact OD1-CA 3.28Å; D94-G97 WeakPolarHBondContact OD1-CA 3.46Å; D94-G97 PolarHBondContact OD1-N 2.82Å; D94-G97 VanDerWaalsContact OD2-C 3.3Å; D94-G97 VanDerWaalsContact OD2-CA 3.25Å; D94-G97 WeakPolarHBondContact OD2-CA 3.35Å; G97-G99 VanDerWaalsContact C-N 3.29Å
98N87.6Confident86.3Confident70 Ų7059.6 Ų59.637%0.37432%0.322SS..SBendtrans-82.2-7.2-178.865.525.5000113.1D94 D96 F100D94-N98 PolarHBondContact OD1-N 3.36Å; D94-N98 PolarHBondContact OD2-N 2.85Å; D96-N98 VanDerWaalsContact CG-ND2 3.35Å; D96-N98 PolarHBondContact OD1-ND2 2.82Å; D96-N98 WeakPolarHBondContact OD2-CB 3.43Å; D96-N98 PolarHBondContact OD2-N 3.35Å; D96-N98 PolarHBondContact OD2-ND2 3.44Å; N98-F100 WeakPolarHBondContact O-CD2 3.43Å; N98-F100 WeakPolarHBondContact OD1-CA 3.39Å; N98-F100 WeakPolarHBondContact OD1-CB 3.49Å; N98-F100 PolarHBondContact OD1-N 2.96Å; N98-F100 PolarHBondContact OD1-O 3.39Å
99G87.1Confident86.3Confident32 Ų3253.6 Ų53.633%0.3330%0.295SS..SBendtrans88.48.2-177.700000114.8F90 D94 G97F90-G99 WeakPolarHBondContact CZ-O 3.28Å; D94-G99 WeakPolarHBondContact OD2-CA 3.19Å; D94-G99 PolarHBondContact OD2-N 2.99Å; G97-G99 VanDerWaalsContact C-N 3.29Å
100F90.3Very high86.3Confident72 Ų7253.3 Ų53.332%0.31629%0.288SS..EExtended strand (participates in β ladder)trans-135.4139.7-178.5-59.2-93.8000110N98 Q136 V137 N138N98-F100 WeakPolarHBondContact O-CD2 3.43Å; N98-F100 WeakPolarHBondContact OD1-CA 3.39Å; N98-F100 WeakPolarHBondContact OD1-CB 3.49Å; N98-F100 PolarHBondContact OD1-N 2.96Å; N98-F100 PolarHBondContact OD1-O 3.39Å; F100-Q136 HydrophobicContact CB-CB 4.08Å; F100-Q136 HydrophobicContact CD1-CB 4.36Å; F100-V137 CarbonylContact C-O 3.58Å; F100-V137 WeakPolarHBondContact CA-O 3.33Å; F100-N138 HydrophobicContact CD1-CB 3.83Å; F100-N138 HydrophobicContact CE1-CB 3.83Å
101V89.4Confident86.3Confident2 Ų256 Ų561%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-98.9113.8174.3179.30000108.8F90 F93 D94 E105 L106 V137F90-V101 HydrophobicContact CD2-CG2 4.06Å; F90-V101 HydrophobicContact CE2-CG2 3.61Å; F90-V101 HydrophobicContact CZ-CG2 3.94Å; F93-V101 HydrophobicContact CB-CB 4.46Å; F93-V101 HydrophobicContact CB-CG1 3.92Å; F93-V101 HydrophobicContact CB-CG2 3.62Å; D94-V101 HydrophobicContact CB-CG2 4.24Å; V101-E105 HydrophobicContact CG1-CB 4.35Å; V101-L106 HydrophobicContact CG1-CB 4.07Å; V101-L106 HydrophobicContact CG1-CD1 4.49Å; V101-V137 HydrophobicContact CB-CB 4.38Å; V101-V137 PolarHBondContact N-O 3.07Å; V101-V137 PolarHBondContact O-N 2.94Å
102S89.4Confident85.9Confident26 Ų2656.7 Ų56.718%0.18231%0.308CS..  trans-80.5158.6173.366.20000112.3A104 E105 L106S102-A104 PolarHBondContact O-N 3.14Å; S102-A104 VanDerWaalsContact O-N 3.16Å; S102-E105 WeakPolarHBondContact CB-OE2 3.39Å; S102-E105 PolarHBondContact N-OE2 3.04Å; S102-E105 PolarHBondContact O-N 3.33Å; S102-E105 VanDerWaalsContact OG-CG 3.29Å; S102-E105 WeakPolarHBondContact OG-CG 3.43Å; S102-E105 PolarHBondContact OG-N 2.91Å; S102-E105 PolarHBondContact OG-OE2 3.35Å; S102-L106 PolarHBondContact O-N 3.49Å
103A87.5Confident85.5Confident28 Ų2858.4 Ų58.423%0.23131%0.314CS..Hα-helixtrans-52.1-38.4173.300000112.8E105 R107 V122 I126A103-E105 PolarHBondContact O-N 3.49Å; A103-R107 WeakPolarHBondContact O-CB 3.1Å; A103-R107 PolarHBondContact O-N 3.08Å; A103-V122 HydrophobicContact CB-CG1 3.89Å; A103-V122 WeakPolarHBondContact O-CG1 3.48Å; A103-I126 HydrophobicContact CB-CD1 4.39Å; A103-I126 HydrophobicContact CB-CG1 4Å
104A87.6Confident85.1Confident53 Ų5360.5 Ų60.544%0.43834%0.342SS..Hα-helixtrans-65.7-3917900000112.4S102 H108S102-A104 PolarHBondContact O-N 3.14Å; S102-A104 VanDerWaalsContact O-N 3.16Å; A104-H108 WeakPolarHBondContact O-CB 3.46Å; A104-H108 PolarHBondContact O-N 3.46Å; A104-H108 VanDerWaalsContact O-N 3.09Å
105E88.4Confident84.6Confident14 Ų1465.6 Ų65.67%0.06537%0.365CS..Hα-helixtrans-72.3-45178.1-72.8171116.100111.9F93 K95 D96 V101 S102 A103 R107 H108 V109F93-E105 WeakPolarHBondContact O-CB 3.34Å; K95-E105 HydrophobicContact CB-CG 4.36Å; K95-E105 PolarHBondContact N-OE1 3.09Å; D96-E105 PolarHBondContact N-OE1 3.28Å; V101-E105 HydrophobicContact CG1-CB 4.35Å; S102-E105 WeakPolarHBondContact CB-OE2 3.39Å; S102-E105 PolarHBondContact N-OE2 3.04Å; S102-E105 PolarHBondContact O-N 3.33Å; S102-E105 VanDerWaalsContact OG-CG 3.29Å; S102-E105 WeakPolarHBondContact OG-CG 3.43Å; S102-E105 PolarHBondContact OG-N 2.91Å; S102-E105 PolarHBondContact OG-OE2 3.35Å; A103-E105 PolarHBondContact O-N 3.49Å; E105-R107 VanDerWaalsContact C-N 3.3Å; E105-R107 PolarHBondContact O-N 2.92Å; E105-H108 PolarHBondContact O-N 3.09Å; E105-H108 VanDerWaalsContact O-N 3.13Å; E105-V109 WeakPolarHBondContact O-CG2 3.23Å; E105-V109 PolarHBondContact O-N 2.94Å
106L86.2Confident84.5Confident14 Ų1468 Ų687%0.07338%0.375CS..Hα-helixtrans-54.8-48.6174.4-172.165.5000110.6F93 V101 S102 H108 V109 M110 V122 M125 I126F93-L106 HydrophobicContact CD1-CD1 3.72Å; F93-L106 HydrophobicContact CE1-CD1 3.68Å; V101-L106 HydrophobicContact CG1-CB 4.07Å; V101-L106 HydrophobicContact CG1-CD1 4.49Å; S102-L106 PolarHBondContact O-N 3.49Å; L106-H108 PolarHBondContact O-N 2.97Å; L106-V109 PolarHBondContact O-N 2.98Å; L106-M110 HydrophobicContact CD1-CE 4.07Å; L106-M110 WeakPolarHBondContact O-CB 3.5Å; L106-M110 VanDerWaalsContact O-CG 3.22Å; L106-M110 WeakPolarHBondContact O-CG 3.43Å; L106-M110 PolarHBondContact O-N 3.2Å; L106-V122 HydrophobicContact CB-CG1 4.45Å; L106-V122 HydrophobicContact CD2-CG1 4.25Å; L106-M125 HydrophobicContact CD2-CB 4.02Å; L106-I126 HydrophobicContact CD2-CD1 3.92Å; L106-I126 HydrophobicContact CD2-CG1 4.11Å
107R85.4Confident84.2Confident100 Ų10064.5 Ų64.538%0.37736%0.356SS..Hα-helixtrans-59.8-44.6176.8-168.8-176.971.6-122.6-6.6112.3A103 E105 V109 T111 D119 V122A103-R107 WeakPolarHBondContact O-CB 3.1Å; A103-R107 PolarHBondContact O-N 3.08Å; E105-R107 VanDerWaalsContact C-N 3.3Å; E105-R107 PolarHBondContact O-N 2.92Å; R107-V109 VanDerWaalsContact C-N 3.34Å; R107-V109 PolarHBondContact O-N 2.93Å; R107-T111 WeakPolarHBondContact O-CB 2.96Å; R107-T111 PolarHBondContact O-N 3.09Å; R107-T111 PolarHBondContact O-OG1 3.03Å; R107-D119 IonicContact NH1-OD1 2.72Å; R107-V122 HydrophobicContact CB-CG1 4.44Å; R107-V122 HydrophobicContact CB-CG2 3.99Å; R107-V122 HydrophobicContact CG-CG2 4.14Å
108H86.1Confident84.2Confident85 Ų8564 Ų6439%0.39434%0.343SS..Hα-helixtrans-63.7-41.4-177.7-175.876.6000111.9A104 E105 L106 R112A104-H108 WeakPolarHBondContact O-CB 3.46Å; A104-H108 PolarHBondContact O-N 3.46Å; A104-H108 VanDerWaalsContact O-N 3.09Å; E105-H108 PolarHBondContact O-N 3.09Å; E105-H108 VanDerWaalsContact O-N 3.13Å; L106-H108 PolarHBondContact O-N 2.97Å; H108-R112 PolarHBondContact NE2-NE 2.95Å; H108-R112 PolarHBondContact NE2-NH2 2.65Å; H108-R112 WeakPolarHBondContact O-CG 3.24Å; H108-R112 PolarHBondContact O-N 3.35Å
109V84.9Confident84Confident5 Ų565.5 Ų65.53%0.0335%0.351CS..Hα-helixtrans-71.4-45.6178.1174.90000111.6V92 F93 E105 L106 R107 T111 R112 L113V92-V109 HydrophobicContact CG1-CG1 3.93Å; V92-V109 VanDerWaalsContact O-CG2 3.28Å; V92-V109 WeakPolarHBondContact O-CG2 3.13Å; F93-V109 HydrophobicContact CD1-CB 3.62Å; F93-V109 HydrophobicContact CD1-CG1 3.59Å; F93-V109 HydrophobicContact CD1-CG2 4.08Å; F93-V109 HydrophobicContact CE1-CB 3.7Å; F93-V109 HydrophobicContact CE1-CG1 3.34Å; F93-V109 HydrophobicContact CG-CG1 4.3Å; F93-V109 HydrophobicContact CZ-CG1 3.86Å; E105-V109 WeakPolarHBondContact O-CG2 3.23Å; E105-V109 PolarHBondContact O-N 2.94Å; L106-V109 PolarHBondContact O-N 2.98Å; R107-V109 VanDerWaalsContact C-N 3.34Å; R107-V109 PolarHBondContact O-N 2.93Å; V109-T111 VanDerWaalsContact C-N 3.28Å; V109-T111 PolarHBondContact O-N 2.77Å; V109-R112 CarbonylContact O-C 3.59Å; V109-R112 WeakPolarHBondContact O-CA 3.43Å; V109-R112 WeakPolarHBondContact O-CB 3.37Å; V109-R112 PolarHBondContact O-N 3.24Å; V109-L113 HydrophobicContact CG1-CD1 3.92Å; V109-L113 HydrophobicContact CG1-CG 4.33Å; V109-L113 WeakPolarHBondContact O-CG 3.17Å; V109-L113 PolarHBondContact O-N 2.88Å
110M82.1Confident84Confident24 Ų2471.2 Ų71.212%0.11837%0.369CS..Hα-helixtrans-59-41.9177.2-68.8-66.7-174.700111.5F93 L106 R112 L113 G114 E115 L117 M125F93-M110 HydrophobicContact CE1-CE 3.95Å; F93-M110 HydrophobicContact CZ-CE 4.01Å; L106-M110 HydrophobicContact CD1-CE 4.07Å; L106-M110 WeakPolarHBondContact O-CB 3.5Å; L106-M110 VanDerWaalsContact O-CG 3.22Å; L106-M110 WeakPolarHBondContact O-CG 3.43Å; L106-M110 PolarHBondContact O-N 3.2Å; M110-R112 VanDerWaalsContact C-N 3.28Å; M110-R112 PolarHBondContact O-N 3Å; M110-L113 CarbonylContact O-C 3.59Å; M110-L113 PolarHBondContact O-N 3.46Å; M110-L113 VanDerWaalsContact O-N 3.09Å; M110-L113 HydrophobicContact SD-CD1 4.36Å; M110-G114 PolarHBondContact O-N 3.49Å; M110-E115 CarbonylContact C-O 3Å; M110-E115 CarbonylContact O-C 3.59Å; M110-E115 PolarHBondContact O-N 2.89Å; M110-L117 HydrophobicContact CB-CD1 3.74Å; M110-L117 HydrophobicContact CB-CG 4.22Å; M110-L117 HydrophobicContact CG-CD1 3.56Å; M110-L117 HydrophobicContact SD-CD1 4.33Å; M110-M125 HydrophobicContact CE-CE 4.07Å
111T83.1Confident83.8Confident70 Ų7072.1 Ų72.143%0.42938%0.375SS..Hα-helixtrans-61.3-35.9174.8-56.40000112.2R107 V109 G114 E115R107-T111 WeakPolarHBondContact O-CB 2.96Å; R107-T111 PolarHBondContact O-N 3.09Å; R107-T111 PolarHBondContact O-OG1 3.03Å; V109-T111 VanDerWaalsContact C-N 3.28Å; V109-T111 PolarHBondContact O-N 2.77Å; T111-G114 PolarHBondContact O-N 3.38Å; T111-E115 WeakPolarHBondContact CA-O 3.35Å; T111-E115 PolarHBondContact N-O 2.79Å
112R77.1Confident83.6Confident180 Ų18072.2 Ų72.268%0.67938%0.375SS*.Hα-helixtrans-72.6-31.7175-76.9-175.2-178.5-126.8-0.4113.2H108 V109 M110 G114H108-R112 PolarHBondContact NE2-NE 2.95Å; H108-R112 PolarHBondContact NE2-NH2 2.65Å; H108-R112 WeakPolarHBondContact O-CG 3.24Å; H108-R112 PolarHBondContact O-N 3.35Å; V109-R112 CarbonylContact O-C 3.59Å; V109-R112 WeakPolarHBondContact O-CA 3.43Å; V109-R112 WeakPolarHBondContact O-CB 3.37Å; V109-R112 PolarHBondContact O-N 3.24Å; M110-R112 VanDerWaalsContact C-N 3.28Å; M110-R112 PolarHBondContact O-N 3Å; R112-G114 PolarHBondContact O-N 2.98Å
113L76.5Confident83.4Confident119 Ų11975 Ų7562%0.62339%0.388SS*.Hα-helixtrans-74.4-4.6174.3-67.5171.1000112.6F93 V109 M110F93-L113 HydrophobicContact CZ-CD1 4.49Å; V109-L113 HydrophobicContact CG1-CD1 3.92Å; V109-L113 HydrophobicContact CG1-CG 4.33Å; V109-L113 WeakPolarHBondContact O-CG 3.17Å; V109-L113 PolarHBondContact O-N 2.88Å; M110-L113 CarbonylContact O-C 3.59Å; M110-L113 PolarHBondContact O-N 3.46Å; M110-L113 VanDerWaalsContact O-N 3.09Å; M110-L113 HydrophobicContact SD-CD1 4.36Å
114G77.6Confident83.4Confident64 Ų6480.5 Ų80.566%0.6641%0.409SS*.THydrogen-bonded Turntrans93.9-1.5177.300000113.8M110 T111 R112M110-G114 PolarHBondContact O-N 3.49Å; T111-G114 PolarHBondContact O-N 3.38Å; R112-G114 PolarHBondContact O-N 2.98Å
115E77.3Confident83.2Confident123 Ų12381.8 Ų81.858%0.57541%0.407SS*.  trans-92.6114.3174.1-67.1-146.711700110.4M110 T111 L117M110-E115 CarbonylContact C-O 3Å; M110-E115 CarbonylContact O-C 3.59Å; M110-E115 PolarHBondContact O-N 2.89Å; T111-E115 WeakPolarHBondContact CA-O 3.35Å; T111-E115 PolarHBondContact N-O 2.79Å; E115-L117 PolarHBondContact O-N 2.99Å
116K78.8Confident83.1Confident182 Ų18281.6 Ų81.679%0.79141%0.406SS*.  trans-89.395.5173-72.6-176.5179.1177.90108.7
117L80.4Confident83.2Confident32 Ų3289.7 Ų89.717%0.16844%0.436CS..  trans-82.4138.8168.6-58.9174.3000109.4M110 E115 E121 V122 M125M110-L117 HydrophobicContact CB-CD1 3.74Å; M110-L117 HydrophobicContact CB-CG 4.22Å; M110-L117 HydrophobicContact CG-CD1 3.56Å; M110-L117 HydrophobicContact SD-CD1 4.33Å; E115-L117 PolarHBondContact O-N 2.99Å; L117-E121 HydrophobicContact CB-CB 4.23Å; L117-E121 HydrophobicContact CD2-CB 4.27Å; L117-V122 HydrophobicContact CB-CG2 3.71Å; L117-V122 HydrophobicContact CD1-CG2 4.2Å; L117-M125 HydrophobicContact CD1-SD 3.72Å
118S86.1Confident83.1Confident48 Ų4889 Ų8934%0.33645%0.451SS..  trans-71.6160.3166.658.80000111E120 E121 V122S118-E120 PolarHBondContact O-N 3.45Å; S118-E121 WeakPolarHBondContact CB-OE2 3.08Å; S118-E121 PolarHBondContact N-OE2 2.76Å; S118-E121 PolarHBondContact O-N 3.37Å; S118-E121 VanDerWaalsContact O-N 3.14Å; S118-E121 VanDerWaalsContact OG-CG 3.3Å; S118-E121 WeakPolarHBondContact OG-CG 3.41Å; S118-E121 PolarHBondContact OG-N 3.22Å; S118-E121 PolarHBondContact OG-OE2 3.01Å; S118-V122 WeakPolarHBondContact O-CG2 3.38Å; S118-V122 PolarHBondContact O-N 3.27Å
119D83.1Confident83.1Confident102 Ų10285.3 Ų85.355%0.54544%0.436SS..Hα-helixtrans-58.3-33.8177.5-70.2-23.2000111.4R107 V122 D123R107-D119 IonicContact NH1-OD1 2.72Å; D119-V122 PolarHBondContact O-N 2.76Å; D119-D123 WeakPolarHBondContact O-CB 3.47Å; D119-D123 PolarHBondContact O-N 3.1Å
120E87Confident83.3Confident152 Ų15286.4 Ų86.471%0.7144%0.441SS*.Hα-helixtrans-65.3-43.5176.6-67156.3-179.300112S118 D123 E124S118-E120 PolarHBondContact O-N 3.45Å; E120-D123 PolarHBondContact O-N 2.94Å; E120-E124 WeakPolarHBondContact O-CG 3.44Å; E120-E124 PolarHBondContact O-N 3.49Å
121E85.6Confident83.5Confident92 Ų9289.5 Ų89.543%0.4346%0.462SS..Hα-helixtrans-67-38.8177.1-73.3167.2117.500112L117 S118 E124 M125L117-E121 HydrophobicContact CB-CB 4.23Å; L117-E121 HydrophobicContact CD2-CB 4.27Å; S118-E121 WeakPolarHBondContact CB-OE2 3.08Å; S118-E121 PolarHBondContact N-OE2 2.76Å; S118-E121 PolarHBondContact O-N 3.37Å; S118-E121 VanDerWaalsContact O-N 3.14Å; S118-E121 VanDerWaalsContact OG-CG 3.3Å; S118-E121 WeakPolarHBondContact OG-CG 3.41Å; S118-E121 PolarHBondContact OG-N 3.22Å; S118-E121 PolarHBondContact OG-OE2 3.01Å; E121-E124 PolarHBondContact O-N 3.46Å; E121-M125 VanDerWaalsContact O-CG 3.31Å; E121-M125 WeakPolarHBondContact O-CG 3.37Å; E121-M125 PolarHBondContact O-N 2.81Å
122V85Confident83.7Confident3 Ų390.8 Ų90.82%0.01847%0.466CS..Hα-helixtrans-65.1-44.7176.2175.10000110.4A103 L106 R107 L117 S118 D119 E124 M125 I126A103-V122 HydrophobicContact CB-CG1 3.89Å; A103-V122 WeakPolarHBondContact O-CG1 3.48Å; L106-V122 HydrophobicContact CB-CG1 4.45Å; L106-V122 HydrophobicContact CD2-CG1 4.25Å; R107-V122 HydrophobicContact CB-CG1 4.44Å; R107-V122 HydrophobicContact CB-CG2 3.99Å; R107-V122 HydrophobicContact CG-CG2 4.14Å; L117-V122 HydrophobicContact CB-CG2 3.71Å; L117-V122 HydrophobicContact CD1-CG2 4.2Å; S118-V122 WeakPolarHBondContact O-CG2 3.38Å; S118-V122 PolarHBondContact O-N 3.27Å; D119-V122 PolarHBondContact O-N 2.76Å; V122-E124 VanDerWaalsContact C-N 3.32Å; V122-E124 PolarHBondContact O-N 2.77Å; V122-M125 PolarHBondContact O-N 3.4Å; V122-I126 HydrophobicContact CG1-CG1 4.43Å; V122-I126 WeakPolarHBondContact O-CG1 3.36Å; V122-I126 PolarHBondContact O-N 2.74Å
123D85.6Confident84.2Confident86 Ų8685.1 Ų85.146%0.4646%0.464SS..Hα-helixtrans-63-37.8176.6-85.5-18.9000112.1D119 E120 R127D119-D123 WeakPolarHBondContact O-CB 3.47Å; D119-D123 PolarHBondContact O-N 3.1Å; E120-D123 PolarHBondContact O-N 2.94Å; D123-R127 VanDerWaalsContact O-CB 3.23Å; D123-R127 WeakPolarHBondContact O-CB 3.17Å; D123-R127 PolarHBondContact O-N 2.9Å
124E86.9Confident84.7Confident143 Ų14383 Ų8367%0.66845%0.453SS*.Hα-helixtrans-66.3-40.1173.6-73.9-146.9126.700112.2E120 E121 V122 R127 A128E120-E124 WeakPolarHBondContact O-CG 3.44Å; E120-E124 PolarHBondContact O-N 3.49Å; E121-E124 PolarHBondContact O-N 3.46Å; V122-E124 VanDerWaalsContact C-N 3.32Å; V122-E124 PolarHBondContact O-N 2.77Å; E124-R127 PolarHBondContact O-N 3.46Å; E124-A128 VanDerWaalsContact O-CB 3.28Å; E124-A128 WeakPolarHBondContact O-CB 3.43Å; E124-A128 PolarHBondContact O-N 2.8Å
125M84.2Confident85.1Confident80 Ų8082 Ų8239%0.39444%0.442SS..Hα-helixtrans-65-44.7176.3-73.1-173.177.400112.2L106 M110 L117 E121 V122 A128 A129L106-M125 HydrophobicContact CD2-CB 4.02Å; M110-M125 HydrophobicContact CE-CE 4.07Å; L117-M125 HydrophobicContact CD1-SD 3.72Å; E121-M125 VanDerWaalsContact O-CG 3.31Å; E121-M125 WeakPolarHBondContact O-CG 3.37Å; E121-M125 PolarHBondContact O-N 2.81Å; V122-M125 PolarHBondContact O-N 3.4Å; M125-A128 PolarHBondContact O-N 2.84Å; M125-A129 WeakPolarHBondContact O-CB 3.45Å; M125-A129 PolarHBondContact O-N 2.93Å
126I86.9Confident85.6Confident10 Ų1079.1 Ų79.15%0.05143%0.429CS..Hα-helixtrans-60.8-51.4175.5-66.1-75000108.9A103 L106 V122 A128 A129 D130 V137A103-I126 HydrophobicContact CB-CD1 4.39Å; A103-I126 HydrophobicContact CB-CG1 4Å; L106-I126 HydrophobicContact CD2-CD1 3.92Å; L106-I126 HydrophobicContact CD2-CG1 4.11Å; V122-I126 HydrophobicContact CG1-CG1 4.43Å; V122-I126 WeakPolarHBondContact O-CG1 3.36Å; V122-I126 PolarHBondContact O-N 2.74Å; I126-A128 PolarHBondContact O-N 3.22Å; I126-A129 PolarHBondContact O-N 3.26Å; I126-D130 HydrophobicContact CG2-CB 4.32Å; I126-D130 WeakPolarHBondContact O-CB 3.38Å; I126-D130 PolarHBondContact O-N 3.38Å; I126-V137 HydrophobicContact CD1-CG2 3.7Å; I126-V137 HydrophobicContact CG2-CG2 4.38Å
127R87Confident86.2Confident183 Ų18370.9 Ų70.969%0.69139%0.394SS*.Hα-helixtrans-62.6-28.4-178.8-170.6179.7-68154.73.5113.6D123 E124D123-R127 VanDerWaalsContact O-CB 3.23Å; D123-R127 WeakPolarHBondContact O-CB 3.17Å; D123-R127 PolarHBondContact O-N 2.9Å; E124-R127 PolarHBondContact O-N 3.46Å
128A84.7Confident86.7Confident85 Ų8570.5 Ų70.570%0.70239%0.392SS*.Hα-helixtrans-75-27.4175.600000112.8E124 M125 I126E124-A128 VanDerWaalsContact O-CB 3.28Å; E124-A128 WeakPolarHBondContact O-CB 3.43Å; E124-A128 PolarHBondContact O-N 2.8Å; M125-A128 PolarHBondContact O-N 2.84Å; I126-A128 PolarHBondContact O-N 3.22Å
129A85.5Confident86.7Confident9 Ų971.3 Ų71.37%0.07439%0.389CS..Hα-helixtrans-90.6-44.3-179.700000112.6M125 I126 T131 V137 E141 V145M125-A129 WeakPolarHBondContact O-CB 3.45Å; M125-A129 PolarHBondContact O-N 2.93Å; I126-A129 PolarHBondContact O-N 3.26Å; A129-T131 PolarHBondContact O-N 3.32Å; A129-T131 VanDerWaalsContact O-N 3.07Å; A129-T131 PolarHBondContact O-OG1 2.78Å; A129-V137 HydrophobicContact CB-CB 4.47Å; A129-V137 HydrophobicContact CB-CG1 3.92Å; A129-V137 HydrophobicContact CB-CG2 3.63Å; A129-E141 WeakPolarHBondContact O-CB 3.47Å; A129-V145 HydrophobicContact CB-CG2 3.44Å; A129-V145 VanDerWaalsContact CB-CG2 3.44Å
130D88.6Confident86.8Confident27 Ų2773.9 Ų73.914%0.14440%0.397CS..  trans-6499-179.3178.910.2000110.5I126 G133 D134 G135I126-D130 HydrophobicContact CG2-CB 4.32Å; I126-D130 WeakPolarHBondContact O-CB 3.38Å; I126-D130 PolarHBondContact O-N 3.38Å; D130-G133 WeakPolarHBondContact OD1-CA 3.47Å; D130-G133 PolarHBondContact OD1-N 3.49Å; D130-G133 WeakPolarHBondContact OD2-CA 3.44Å; D130-D134 PolarHBondContact OD1-N 2.93Å; D130-G135 VanDerWaalsContact OD2-CA 3.32Å; D130-G135 WeakPolarHBondContact OD2-CA 3.24Å; D130-G135 PolarHBondContact OD2-N 3Å
131T86.3Confident86.9Confident90 Ų9067.1 Ų67.155%0.55237%0.365SS*.SBendtrans-93-30-178.2-54.60000110.9A129 E141A129-T131 PolarHBondContact O-N 3.32Å; A129-T131 VanDerWaalsContact O-N 3.07Å; A129-T131 PolarHBondContact O-OG1 2.78Å; T131-E141 PolarHBondContact N-OE1 3.34Å
132D86.9Confident86.8Confident97 Ų9763.6 Ų63.652%0.51935%0.349SS..SBendtrans-88.7-13-17969.920.9000113.9D134 E141D132-D134 WeakPolarHBondContact OD1-CB 3.45Å; D132-D134 VanDerWaalsContact OD1-CG 3.28Å; D132-D134 PolarHBondContact OD1-N 3.42Å; D132-E141 PolarHBondContact N-OE1 2.86Å
133G87.3Confident86.7Confident61 Ų6165.3 Ų65.363%0.62936%0.359SS*.  trans79.621.4174.600000113.8D130 G135D130-G133 WeakPolarHBondContact OD1-CA 3.47Å; D130-G133 PolarHBondContact OD1-N 3.49Å; D130-G133 WeakPolarHBondContact OD2-CA 3.44Å; G133-G135 PolarHBondContact O-N 3.32Å
134D87.2Confident86.5Confident73 Ų7368.5 Ų68.539%0.3937%0.365SS..SBendtrans-78.9-7.5-179.983.1-6.1000113.6D130 D132 Q136D130-D134 PolarHBondContact OD1-N 2.93Å; D132-D134 WeakPolarHBondContact OD1-CB 3.45Å; D132-D134 VanDerWaalsContact OD1-CG 3.28Å; D132-D134 PolarHBondContact OD1-N 3.42Å; D134-Q136 VanDerWaalsContact C-N 3.28Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.41Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.43Å; D134-Q136 PolarHBondContact OD1-N 2.8Å; D134-Q136 VanDerWaalsContact OD1-O 3.12Å
135G86.3Confident86.1Confident43 Ų4365 Ų6544%0.44335%0.353SS..SBendtrans78.110.9-179.800000114D130 G133D130-G135 VanDerWaalsContact OD2-CA 3.32Å; D130-G135 WeakPolarHBondContact OD2-CA 3.24Å; D130-G135 PolarHBondContact OD2-N 3Å; G133-G135 PolarHBondContact O-N 3.32Å
136Q89.1Confident85.5Confident64 Ų6464.8 Ų64.830%0.29935%0.353SS..SBendtrans-127.1174.4173.6-49.8-168.1-70.300108.8F100 D134F100-Q136 HydrophobicContact CB-CB 4.08Å; F100-Q136 HydrophobicContact CD1-CB 4.36Å; D134-Q136 VanDerWaalsContact C-N 3.28Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.41Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.43Å; D134-Q136 PolarHBondContact OD1-N 2.8Å; D134-Q136 VanDerWaalsContact OD1-O 3.12Å
137V90.5Very high84.6Confident8 Ų868.8 Ų68.85%0.04838%0.378CS..EExtended strand (participates in β ladder)trans-122.6112.1177.3-179.50000108.7F100 V101 I126 A129 E141 F142F100-V137 CarbonylContact C-O 3.58Å; F100-V137 WeakPolarHBondContact CA-O 3.33Å; V101-V137 HydrophobicContact CB-CB 4.38Å; V101-V137 PolarHBondContact N-O 3.07Å; V101-V137 PolarHBondContact O-N 2.94Å; I126-V137 HydrophobicContact CD1-CG2 3.7Å; I126-V137 HydrophobicContact CG2-CG2 4.38Å; A129-V137 HydrophobicContact CB-CB 4.47Å; A129-V137 HydrophobicContact CB-CG1 3.92Å; A129-V137 HydrophobicContact CB-CG2 3.63Å; V137-E141 WeakPolarHBondContact CA-OE2 3.35Å; V137-E141 HydrophobicContact CG1-CB 3.78Å; V137-F142 HydrophobicContact CG1-CB 3.97Å
138N90.8Very high83.2Confident25 Ų2564.7 Ų64.713%0.13438%0.377CS..EExtended strand (participates in β ladder)trans-78.6173.2175.870.649.6000111.6F100 E140 E141 F142F100-N138 HydrophobicContact CD1-CB 3.83Å; F100-N138 HydrophobicContact CE1-CB 3.83Å; N138-E140 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 3.05Å; N138-E140 WeakPolarHBondContact OD1-CB 3.35Å; N138-E140 PolarHBondContact OD1-N 3.32Å; N138-E141 VanDerWaalsContact CG-OE2 3.26Å; N138-E141 PolarHBondContact N-OE2 3.39Å; N138-E141 VanDerWaalsContact ND2-CD 3.3Å; N138-E141 PolarHBondContact ND2-OE2 2.87Å; N138-E141 VanDerWaalsContact ND2-OE2 3.14Å; N138-E141 PolarHBondContact O-N 3.22Å; N138-E141 WeakPolarHBondContact OD1-CG 3.37Å; N138-E141 PolarHBondContact OD1-N 2.92Å; N138-F142 WeakPolarHBondContact O-CB 3.42Å; N138-F142 PolarHBondContact O-N 3.4Å
139Y86.3Confident81.2Confident65 Ų6572.3 Ų72.326%0.25539%0.394SS..Hα-helixtrans-58.3-41.3-178.7179.1-105.7000113.3I86 R87 F90 F142 V143I86-Y139 HydrophobicContact CG2-CE2 4.35Å; R87-Y139 HydrophobicContact CB-CE2 4.23Å; R87-Y139 HydrophobicContact CG-CE2 4.46Å; F90-Y139 HydrophobicContact CB-CD2 4.17Å; F90-Y139 HydrophobicContact CB-CE2 4.46Å; F90-Y139 HydrophobicContact CD1-CD2 4.18Å; F90-Y139 HydrophobicContact CD2-CD2 4.18Å; F90-Y139 AromaticContact CG-CD2 3.9Å; F90-Y139 HydrophobicContact CG-CD2 3.9Å; Y139-F142 PolarHBondContact O-N 3.35Å; Y139-V143 HydrophobicContact CD1-CG2 4.15Å; Y139-V143 HydrophobicContact CD2-CG2 4.26Å; Y139-V143 HydrophobicContact CE1-CG2 3.8Å; Y139-V143 HydrophobicContact CE2-CG2 3.89Å; Y139-V143 HydrophobicContact CG-CG2 4.39Å; Y139-V143 WeakPolarHBondContact O-CB 3.23Å; Y139-V143 WeakPolarHBondContact O-CG2 3.31Å; Y139-V143 PolarHBondContact O-N 3.04Å
140E85.5Confident81Confident156 Ų15675.5 Ų75.573%0.72941%0.41SS*.Hα-helixtrans-67.6-40-178.4-61.7-168.6110.400111.5N138 R144N138-E140 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 3.05Å; N138-E140 WeakPolarHBondContact OD1-CB 3.35Å; N138-E140 PolarHBondContact OD1-N 3.32Å; E140-R144 WeakPolarHBondContact O-CB 3.4Å; E140-R144 PolarHBondContact O-N 3.09Å
141E88.4Confident80.6Confident9 Ų978 Ų784%0.04242%0.424CS..Hα-helixtrans-66-42.2175.6-69.3171.814600111.7A129 T131 D132 V137 N138 R144 V145A129-E141 WeakPolarHBondContact O-CB 3.47Å; T131-E141 PolarHBondContact N-OE1 3.34Å; D132-E141 PolarHBondContact N-OE1 2.86Å; V137-E141 WeakPolarHBondContact CA-OE2 3.35Å; V137-E141 HydrophobicContact CG1-CB 3.78Å; N138-E141 VanDerWaalsContact CG-OE2 3.26Å; N138-E141 PolarHBondContact N-OE2 3.39Å; N138-E141 VanDerWaalsContact ND2-CD 3.3Å; N138-E141 PolarHBondContact ND2-OE2 2.87Å; N138-E141 VanDerWaalsContact ND2-OE2 3.14Å; N138-E141 PolarHBondContact O-N 3.22Å; N138-E141 WeakPolarHBondContact OD1-CG 3.37Å; N138-E141 PolarHBondContact OD1-N 2.92Å; E141-R144 WeakPolarHBondContact O-CB 3.15Å; E141-R144 PolarHBondContact O-N 3.18Å; E141-V145 VanDerWaalsContact O-CG2 3.22Å; E141-V145 WeakPolarHBondContact O-CG2 3.36Å; E141-V145 PolarHBondContact O-N 2.94Å
142F84.4Confident80.3Confident19 Ų1977.3 Ų77.38%0.08342%0.417CS..Hα-helixtrans-63.1-45.8176.6-172.3-99.2000112.2I86 A89 F90 F93 V137 N138 Y139 R144 V145 L146I86-F142 HydrophobicContact CG2-CD1 4.06Å; I86-F142 HydrophobicContact CG2-CE1 4.26Å; A89-F142 HydrophobicContact CB-CE1 4.23Å; A89-F142 HydrophobicContact CB-CZ 4.41Å; F90-F142 HydrophobicContact CB-CD1 4.1Å; F90-F142 HydrophobicContact CB-CE1 4.08Å; F90-F142 HydrophobicContact CD2-CB 3.66Å; F90-F142 AromaticContact CD2-CD1 3.62Å; F90-F142 HydrophobicContact CD2-CD1 3.62Å; F90-F142 HydrophobicContact CD2-CD2 4.13Å; F90-F142 HydrophobicContact CD2-CE1 4.22Å; F90-F142 AromaticContact CD2-CG 3.55Å; F90-F142 HydrophobicContact CD2-CG 3.55Å; F90-F142 HydrophobicContact CE2-CB 3.81Å; F90-F142 HydrophobicContact CE2-CG 4.12Å; F90-F142 HydrophobicContact CG-CD1 4.36Å; F93-F142 AromaticContact CD2-CE2 3.69Å; F93-F142 HydrophobicContact CD2-CE2 3.69Å; F93-F142 AromaticContact CD2-CZ 3.45Å; F93-F142 HydrophobicContact CD2-CZ 3.45Å; F93-F142 VanDerWaalsContact CD2-CZ 3.45Å; F93-F142 HydrophobicContact CE2-CE2 4.01Å; F93-F142 AromaticContact CE2-CZ 3.66Å; F93-F142 HydrophobicContact CE2-CZ 3.66Å; F93-F142 HydrophobicContact CG-CE2 4.24Å; F93-F142 HydrophobicContact CG-CZ 4.4Å; V137-F142 HydrophobicContact CG1-CB 3.97Å; N138-F142 WeakPolarHBondContact O-CB 3.42Å; N138-F142 PolarHBondContact O-N 3.4Å; Y139-F142 PolarHBondContact O-N 3.35Å; F142-R144 VanDerWaalsContact C-N 3.3Å; F142-R144 PolarHBondContact O-N 2.73Å; F142-V145 PolarHBondContact O-N 3.49Å; F142-L146 HydrophobicContact CD1-CD1 3.67Å; F142-L146 HydrophobicContact CD1-CG 4.48Å; F142-L146 HydrophobicContact CE1-CD1 3.18Å; F142-L146 HydrophobicContact CE1-CG 4.22Å; F142-L146 HydrophobicContact CZ-CD1 3.68Å; F142-L146 HydrophobicContact CZ-CG 4.45Å; F142-L146 PolarHBondContact O-N 2.89Å
143V83Confident79.9Confident39 Ų3976.2 Ų76.224%0.23641%0.411CS..Hα-helixtrans-58.4-46.4174.2171.70000109.7I86 Y139 V145 L146 V147I86-V143 HydrophobicContact CG2-CB 4.42Å; I86-V143 HydrophobicContact CG2-CG2 3.58Å; Y139-V143 HydrophobicContact CD1-CG2 4.15Å; Y139-V143 HydrophobicContact CD2-CG2 4.26Å; Y139-V143 HydrophobicContact CE1-CG2 3.8Å; Y139-V143 HydrophobicContact CE2-CG2 3.89Å; Y139-V143 HydrophobicContact CG-CG2 4.39Å; Y139-V143 WeakPolarHBondContact O-CB 3.23Å; Y139-V143 WeakPolarHBondContact O-CG2 3.31Å; Y139-V143 PolarHBondContact O-N 3.04Å; V143-V145 VanDerWaalsContact C-N 3.3Å; V143-V145 PolarHBondContact O-N 2.74Å; V143-L146 PolarHBondContact O-N 3.19Å; V143-V147 HydrophobicContact CG1-CG2 3.85Å; V143-V147 VanDerWaalsContact O-CB 3.31Å; V143-V147 WeakPolarHBondContact O-CB 3.38Å; V143-V147 WeakPolarHBondContact O-CG2 3.33Å; V143-V147 PolarHBondContact O-N 2.87Å
144R80.1Confident79.4Confident152 Ų15277.1 Ų77.157%0.57440%0.398SS*.Hα-helixtrans-60.2-39.9-179.1-170.7178.2179.8-172.6-0.5112.4E140 E141 F142 S148E140-R144 WeakPolarHBondContact O-CB 3.4Å; E140-R144 PolarHBondContact O-N 3.09Å; E141-R144 WeakPolarHBondContact O-CB 3.15Å; E141-R144 PolarHBondContact O-N 3.18Å; F142-R144 VanDerWaalsContact C-N 3.3Å; F142-R144 PolarHBondContact O-N 2.73Å; R144-S148 WeakPolarHBondContact O-CB 3.45Å; R144-S148 PolarHBondContact O-N 3.26Å; R144-S148 PolarHBondContact O-OG 3.47Å
145V78.6Confident78.9Confident70 Ų7077.4 Ų77.442%0.42440%0.398SS..Hα-helixtrans-67.5-41.5177.7172.90000111.5A129 E141 F142 V143A129-V145 HydrophobicContact CB-CG2 3.44Å; A129-V145 VanDerWaalsContact CB-CG2 3.44Å; E141-V145 VanDerWaalsContact O-CG2 3.22Å; E141-V145 WeakPolarHBondContact O-CG2 3.36Å; E141-V145 PolarHBondContact O-N 2.94Å; F142-V145 PolarHBondContact O-N 3.49Å; V143-V145 VanDerWaalsContact C-N 3.3Å; V143-V145 PolarHBondContact O-N 2.74Å
146L72.8Confident78.4Confident75 Ų7579.9 Ų79.939%0.39340%0.395SS..Hα-helixtrans-72.2-37.1178.7-75.1176.3000113I86 F142 V143I86-L146 HydrophobicContact CB-CD1 4.49Å; I86-L146 HydrophobicContact CG1-CD1 4.04Å; I86-L146 HydrophobicContact CG2-CD1 3.99Å; F142-L146 HydrophobicContact CD1-CD1 3.67Å; F142-L146 HydrophobicContact CD1-CG 4.48Å; F142-L146 HydrophobicContact CE1-CD1 3.18Å; F142-L146 HydrophobicContact CE1-CG 4.22Å; F142-L146 HydrophobicContact CZ-CD1 3.68Å; F142-L146 HydrophobicContact CZ-CG 4.45Å; F142-L146 PolarHBondContact O-N 2.89Å; V143-L146 PolarHBondContact O-N 3.19Å
147V67.2Low77.6Confident94 Ų9481.1 Ų81.157%0.5740%0.402SS*.Hα-helixtrans-80.6-24-178.7176.20000112.2I86 V143 K149I86-V147 HydrophobicContact CD1-CG2 4.07Å; V143-V147 HydrophobicContact CG1-CG2 3.85Å; V143-V147 VanDerWaalsContact O-CB 3.31Å; V143-V147 WeakPolarHBondContact O-CB 3.38Å; V143-V147 WeakPolarHBondContact O-CG2 3.33Å; V143-V147 PolarHBondContact O-N 2.87Å; V147-K149 PolarHBondContact O-N 3.19Å; V147-K149 VanDerWaalsContact O-N 3.16Å
148S57.9Low76.5Confident97 Ų9787.2 Ų87.268%0.67843%0.432SS*.THydrogen-bonded Turntrans-77.311.9176.7-60.20000113.9R144R144-S148 WeakPolarHBondContact O-CB 3.45Å; R144-S148 PolarHBondContact O-N 3.26Å; R144-S148 PolarHBondContact O-OG 3.47Å
149K43.1Very low75.2Confident245 Ų24592.8 Ų92.8100%1.06546%0.459SS*.  trans-110.70-174.1-151.9172.3-173.4173.70113.2V147V147-K149 PolarHBondContact O-N 3.19Å; V147-K149 VanDerWaalsContact O-N 3.16Å

Retrieved 149 of 149 residues in 111.5 ms (Link to these results)

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