A0A061IBE8_CRIGR Loading...

Calmodulin-like 3

AlphaFold DB , UniProt , Accession A0A061IBE8, Species CRIGR (Cricetulus griseus, Chinese hamster), 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
1M32Very low63.8Low232 Ų232113.7 Ų113.7100%1.14361%0.605SS**  0132.10-74169.517800106.4N3M1-N3 PolarHBondContact O-N 2.89Å; M1-N3 VanDerWaalsContact O-N 3.16Å
2A36.4Very low65.1Low92 Ų92114.6 Ų114.676%0.7660%0.603SS**  trans-60.5119.4-178.900000109Q4A2-Q4 PolarHBondContact O-N 2.76Å
3N46.8Very low66.3Low123 Ų123106.3 Ų106.366%0.65856%0.559SS**  trans-5298.8176.3-74-3.1000109M1 K78M1-N3 PolarHBondContact O-N 2.89Å; M1-N3 VanDerWaalsContact O-N 3.16Å; N3-K78 WeakPolarHBondContact ND2-CE 3.5Å
4Q56.1Low67.5Low181 Ų181107.9 Ų107.985%0.84656%0.559SS**PPolyproline II helixtrans-78.5119165.3-74.817619.900105.7A2 T6A2-Q4 PolarHBondContact O-N 2.76Å; Q4-T6 PolarHBondContact O-N 3Å
5L66Low68.6Low40 Ų40110.5 Ų110.521%0.20957%0.567CS.*PPolyproline II helixtrans-53.4136.7172-64.5173000109.2Q9 I10 F13 L70 S74L5-Q9 HydrophobicContact CB-CB 4.36Å; L5-Q9 HydrophobicContact CD2-CB 4.49Å; L5-I10 HydrophobicContact CB-CD1 4.36Å; L5-I10 HydrophobicContact CB-CG1 3.87Å; L5-F13 HydrophobicContact CD1-CD2 3.86Å; L5-F13 HydrophobicContact CD1-CE2 3.61Å; L5-F13 HydrophobicContact CD2-CE2 3.74Å; L5-F13 HydrophobicContact CG-CE2 4.23Å; L5-L70 HydrophobicContact CD1-CB 4.49Å; L5-L70 HydrophobicContact CD1-CD2 3.85Å; L5-S74 WeakPolarHBondContact CD1-OG 3.42Å
6T78.4Confident69.5Low72 Ų72105.1 Ų105.144%0.44254%0.544SS..PPolyproline II helixtrans-68.3159.5175.959.30000110.9Q4 E8 Q9 I10Q4-T6 PolarHBondContact O-N 3Å; T6-E8 PolarHBondContact O-N 3.24Å; T6-Q9 PolarHBondContact O-N 3.17Å; T6-Q9 VanDerWaalsContact O-N 3.15Å; T6-Q9 VanDerWaalsContact OG1-CG 3.28Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.39Å; T6-Q9 PolarHBondContact OG1-N 3.5Å; T6-Q9 PolarHBondContact OG1-OE1 3.49Å; T6-Q9 VanDerWaalsContact OG1-OE1 3.05Å; T6-I10 WeakPolarHBondContact O-CG1 3.31Å; T6-I10 PolarHBondContact O-N 3.41Å
7E76.6Confident70.3Confident179 Ų17999.5 Ų99.584%0.83652%0.515SS*.Hα-helixtrans-58.3-33.1176.9-67.9-176.692.200112.2A11E7-A11 PolarHBondContact O-N 3.39Å
8E77.3Confident71.2Confident155 Ų15598 Ų9872%0.72451%0.514SS*.Hα-helixtrans-66.1-48.6174.4-69.2177.995.400111.5T6 I10 A11 E12T6-E8 PolarHBondContact O-N 3.24Å; E8-I10 VanDerWaalsContact C-N 3.31Å; E8-I10 PolarHBondContact O-N 2.86Å; E8-A11 WeakPolarHBondContact O-CA 3.26Å; E8-A11 WeakPolarHBondContact O-CB 3.31Å; E8-A11 PolarHBondContact O-N 3.45Å; E8-E12 PolarHBondContact O-N 3.48Å
9Q71.8Confident71.9Confident64 Ų6498.5 Ų98.530%0.29952%0.517SS..Hα-helixtrans-61.4-39.7175.9-72.9172-52.900112L5 T6 A11 E12 F13L5-Q9 HydrophobicContact CB-CB 4.36Å; L5-Q9 HydrophobicContact CD2-CB 4.49Å; T6-Q9 PolarHBondContact O-N 3.17Å; T6-Q9 VanDerWaalsContact O-N 3.15Å; T6-Q9 VanDerWaalsContact OG1-CG 3.28Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.39Å; T6-Q9 PolarHBondContact OG1-N 3.5Å; T6-Q9 PolarHBondContact OG1-OE1 3.49Å; T6-Q9 VanDerWaalsContact OG1-OE1 3.05Å; Q9-A11 VanDerWaalsContact C-N 3.28Å; Q9-A11 PolarHBondContact O-N 2.68Å; Q9-E12 PolarHBondContact O-N 3.29Å; Q9-F13 HydrophobicContact CB-CD2 4.43Å; Q9-F13 HydrophobicContact CB-CE2 4.17Å; Q9-F13 WeakPolarHBondContact O-CB 3.15Å; Q9-F13 WeakPolarHBondContact O-CD2 3.26Å; Q9-F13 VanDerWaalsContact O-CG 3.3Å; Q9-F13 WeakPolarHBondContact O-CG 3.43Å; Q9-F13 PolarHBondContact O-N 3.3Å
10I78.9Confident72.5Confident64 Ų6495 Ų9533%0.32850%0.497SS..Hα-helixtrans-62.3-38.4175.4-66.7166.7000110.5L5 T6 E8 K14 F66L5-I10 HydrophobicContact CB-CD1 4.36Å; L5-I10 HydrophobicContact CB-CG1 3.87Å; T6-I10 WeakPolarHBondContact O-CG1 3.31Å; T6-I10 PolarHBondContact O-N 3.41Å; E8-I10 VanDerWaalsContact C-N 3.31Å; E8-I10 PolarHBondContact O-N 2.86Å; I10-K14 VanDerWaalsContact O-CB 3.3Å; I10-K14 WeakPolarHBondContact O-CB 3.45Å; I10-K14 PolarHBondContact O-N 2.72Å; I10-F66 HydrophobicContact CG2-CE1 4.44Å; I10-F66 HydrophobicContact CG2-CZ 4.26Å
11A81.5Confident73.2Confident49 Ų4991.2 Ų91.241%0.40548%0.478SS..Hα-helixtrans-66.2-45.6175.900000111.8E7 E8 Q9 F13 K14 E15E7-A11 PolarHBondContact O-N 3.39Å; E8-A11 WeakPolarHBondContact O-CA 3.26Å; E8-A11 WeakPolarHBondContact O-CB 3.31Å; E8-A11 PolarHBondContact O-N 3.45Å; Q9-A11 VanDerWaalsContact C-N 3.28Å; Q9-A11 PolarHBondContact O-N 2.68Å; A11-F13 VanDerWaalsContact C-N 3.34Å; A11-F13 PolarHBondContact O-N 2.96Å; A11-K14 WeakPolarHBondContact O-CB 3.38Å; A11-K14 PolarHBondContact O-N 3.4Å; A11-K14 VanDerWaalsContact O-N 3.1Å; A11-E15 PolarHBondContact O-N 3.4Å
12E79.9Confident75.6Confident124 Ų12486.5 Ų86.558%0.57945%0.451SS*.Hα-helixtrans-60.2-43.2175.4-69.7-173.695.700111.7E8 Q9 K14 E15 A16E8-E12 PolarHBondContact O-N 3.48Å; Q9-E12 PolarHBondContact O-N 3.29Å; E12-K14 VanDerWaalsContact C-N 3.28Å; E12-K14 PolarHBondContact O-N 2.93Å; E12-E15 PolarHBondContact O-N 3.02Å; E12-A16 WeakPolarHBondContact O-CB 3.1Å; E12-A16 PolarHBondContact O-N 2.84Å
13F80.3Confident77.9Confident7 Ų787.4 Ų87.43%0.03144%0.443CS..Hα-helixtrans-66.7-31.3175.4-69.6-47.9000113.1L5 Q9 A11 A16 F17 L70 M73 M77L5-F13 HydrophobicContact CD1-CD2 3.86Å; L5-F13 HydrophobicContact CD1-CE2 3.61Å; L5-F13 HydrophobicContact CD2-CE2 3.74Å; L5-F13 HydrophobicContact CG-CE2 4.23Å; Q9-F13 HydrophobicContact CB-CD2 4.43Å; Q9-F13 HydrophobicContact CB-CE2 4.17Å; Q9-F13 WeakPolarHBondContact O-CB 3.15Å; Q9-F13 WeakPolarHBondContact O-CD2 3.26Å; Q9-F13 VanDerWaalsContact O-CG 3.3Å; Q9-F13 WeakPolarHBondContact O-CG 3.43Å; Q9-F13 PolarHBondContact O-N 3.3Å; A11-F13 VanDerWaalsContact C-N 3.34Å; A11-F13 PolarHBondContact O-N 2.96Å; F13-A16 PolarHBondContact O-N 2.96Å; F13-F17 WeakPolarHBondContact O-CB 3.37Å; F13-F17 PolarHBondContact O-N 3.16Å; F13-L70 HydrophobicContact CB-CD2 3.51Å; F13-L70 HydrophobicContact CD2-CD2 3.49Å; F13-L70 VanDerWaalsContact CD2-CD2 3.49Å; F13-L70 HydrophobicContact CE2-CD2 4.4Å; F13-L70 HydrophobicContact CG-CD2 3.75Å; F13-M73 HydrophobicContact CD1-CB 3.78Å; F13-M73 HydrophobicContact CD1-CG 3.83Å; F13-M73 HydrophobicContact CD1-SD 4.42Å; F13-M73 HydrophobicContact CE1-CB 3.41Å; F13-M73 VanDerWaalsContact CE1-CB 3.41Å; F13-M73 HydrophobicContact CE1-CG 3.81Å; F13-M73 HydrophobicContact CE1-SD 4.14Å; F13-M73 HydrophobicContact CZ-CB 3.82Å; F13-M77 HydrophobicContact CE1-CE 3.58Å; F13-M77 HydrophobicContact CE1-SD 3.95Å; F13-M77 HydrophobicContact CE2-SD 4.37Å; F13-M77 HydrophobicContact CZ-CE 3.59Å; F13-M77 HydrophobicContact CZ-CG 4.25Å; F13-M77 HydrophobicContact CZ-SD 3.37Å; F13-M77 WeakPolarHBondContact CZ-SD 3.37Å
14K83.1Confident79.7Confident129 Ų12984.3 Ų84.356%0.56144%0.44SS*.Hα-helixtrans-70.1-40.3175.2-166.6173.9-177.1177.70111.3I10 A11 E12 F17 S18 F66I10-K14 VanDerWaalsContact O-CB 3.3Å; I10-K14 WeakPolarHBondContact O-CB 3.45Å; I10-K14 PolarHBondContact O-N 2.72Å; A11-K14 WeakPolarHBondContact O-CB 3.38Å; A11-K14 PolarHBondContact O-N 3.4Å; A11-K14 VanDerWaalsContact O-N 3.1Å; E12-K14 VanDerWaalsContact C-N 3.28Å; E12-K14 PolarHBondContact O-N 2.93Å; K14-F17 PolarHBondContact O-N 3.39Å; K14-S18 PolarHBondContact O-N 3.01Å; K14-S18 PolarHBondContact O-OG 3.26Å; K14-F66 HydrophobicContact CB-CE2 3.98Å; K14-F66 HydrophobicContact CB-CZ 3.94Å; K14-F66 HydrophobicContact CG-CE2 4.26Å; K14-F66 HydrophobicContact CG-CZ 4.29Å
15E83.9Confident81.1Confident146 Ų14680.1 Ų80.168%0.68242%0.423SS*.Hα-helixtrans-63.1-44.1171.8-72.2-168.289.900111.3A11 E12 F17 S18 L19A11-E15 PolarHBondContact O-N 3.4Å; E12-E15 PolarHBondContact O-N 3.02Å; E15-F17 PolarHBondContact O-N 2.95Å; E15-S18 PolarHBondContact O-N 3.49Å; E15-L19 PolarHBondContact O-N 3.12Å
16A82.7Confident82Confident25 Ų2579.8 Ų79.821%0.20743%0.429CS..Hα-helixtrans-61.1-44.8174.400000111.5E12 F13 S18 L19 F20 F69E12-A16 WeakPolarHBondContact O-CB 3.1Å; E12-A16 PolarHBondContact O-N 2.84Å; F13-A16 PolarHBondContact O-N 2.96Å; A16-S18 VanDerWaalsContact C-N 3.32Å; A16-S18 PolarHBondContact O-N 3.08Å; A16-L19 WeakPolarHBondContact O-CA 3.48Å; A16-L19 VanDerWaalsContact O-CB 3.25Å; A16-L19 WeakPolarHBondContact O-CB 3.49Å; A16-L19 PolarHBondContact O-N 2.77Å; A16-F20 WeakPolarHBondContact O-CD2 3.45Å; A16-F20 PolarHBondContact O-N 2.75Å; A16-F69 HydrophobicContact CB-CE1 4.43Å; A16-F69 HydrophobicContact CB-CZ 4.34Å
17F84.3Confident82.5Confident10 Ų1078 Ų784%0.04442%0.419CS..Hα-helixtrans-57.3-44.4176.8-173.6-90.2000111.3F13 K14 E15 L19 F20 D21 G26 I28 F66 F69F13-F17 WeakPolarHBondContact O-CB 3.37Å; F13-F17 PolarHBondContact O-N 3.16Å; K14-F17 PolarHBondContact O-N 3.39Å; E15-F17 PolarHBondContact O-N 2.95Å; F17-L19 PolarHBondContact O-N 3.06Å; F17-F20 CarbonylContact O-C 3.6Å; F17-F20 WeakPolarHBondContact O-CA 3.38Å; F17-F20 WeakPolarHBondContact O-CB 3.12Å; F17-F20 PolarHBondContact O-N 3.17Å; F17-D21 HydrophobicContact CD1-CB 3.97Å; F17-D21 HydrophobicContact CE1-CB 3.67Å; F17-D21 HydrophobicContact CZ-CB 4.39Å; F17-D21 PolarHBondContact O-N 3Å; F17-G26 WeakPolarHBondContact CZ-O 3.27Å; F17-I28 HydrophobicContact CD2-CD1 3.43Å; F17-I28 VanDerWaalsContact CD2-CD1 3.43Å; F17-I28 HydrophobicContact CD2-CG1 4.11Å; F17-I28 HydrophobicContact CE1-CG1 4.46Å; F17-I28 HydrophobicContact CE2-CD1 3.33Å; F17-I28 HydrophobicContact CE2-CG1 3.61Å; F17-I28 HydrophobicContact CG-CD1 4.23Å; F17-I28 HydrophobicContact CZ-CD1 4.04Å; F17-I28 HydrophobicContact CZ-CG1 3.8Å; F17-F66 HydrophobicContact CB-CD2 3.92Å; F17-F66 HydrophobicContact CB-CE2 4.11Å; F17-F66 HydrophobicContact CD1-CD2 4.22Å; F17-F66 HydrophobicContact CD2-CB 4.4Å; F17-F66 AromaticContact CD2-CD2 3.79Å; F17-F66 HydrophobicContact CD2-CD2 3.79Å; F17-F66 HydrophobicContact CE2-CB 4.13Å; F17-F66 HydrophobicContact CE2-CD2 4.36Å; F17-F66 AromaticContact CG-CD2 3.71Å; F17-F66 HydrophobicContact CG-CD2 3.71Å; F17-F66 HydrophobicContact CG-CE2 4.4Å; F17-F66 HydrophobicContact CZ-CB 4.2Å; F17-F69 HydrophobicContact CB-CD1 4.16Å; F17-F69 HydrophobicContact CB-CE1 4.03Å; F17-F69 HydrophobicContact CD2-CB 3.71Å; F17-F69 AromaticContact CD2-CD1 3.76Å; F17-F69 HydrophobicContact CD2-CD1 3.76Å; F17-F69 HydrophobicContact CD2-CD2 4.06Å; F17-F69 HydrophobicContact CD2-CE1 4.32Å; F17-F69 AromaticContact CD2-CG 3.6Å; F17-F69 HydrophobicContact CD2-CG 3.6Å; F17-F69 HydrophobicContact CE2-CB 3.91Å; F17-F69 HydrophobicContact CE2-CG 4.24Å; F17-F69 HydrophobicContact CG-CD1 4.47Å
18S85.9Confident83Confident72 Ų7269.6 Ų69.650%0.50338%0.38SS..Hα-helixtrans-66.3-13.8174.7-62.60000114.5K14 E15 A16K14-S18 PolarHBondContact O-N 3.01Å; K14-S18 PolarHBondContact O-OG 3.26Å; E15-S18 PolarHBondContact O-N 3.49Å; A16-S18 VanDerWaalsContact C-N 3.32Å; A16-S18 PolarHBondContact O-N 3.08Å
19L84.1Confident83.6Confident107 Ų10764 Ų6456%0.5636%0.357SS*.Hα-helixtrans-75-32.8168.2-63.9173.5000111.5E15 A16 F17 K22 V36E15-L19 PolarHBondContact O-N 3.12Å; A16-L19 WeakPolarHBondContact O-CA 3.48Å; A16-L19 VanDerWaalsContact O-CB 3.25Å; A16-L19 WeakPolarHBondContact O-CB 3.49Å; A16-L19 PolarHBondContact O-N 2.77Å; F17-L19 PolarHBondContact O-N 3.06Å; L19-K22 WeakPolarHBondContact O-CE 3.31Å; L19-K22 PolarHBondContact O-NZ 3.45Å; L19-V36 WeakPolarHBondContact O-CG2 3.28Å
20F84.1Confident84.4Confident29 Ų2962.2 Ų62.213%0.12735%0.35CS..Hα-helixtrans-81.8-56177.3-63.9-84.1000111.7A16 F17 K22 I28 E32 L33 V36 F69A16-F20 WeakPolarHBondContact O-CD2 3.45Å; A16-F20 PolarHBondContact O-N 2.75Å; F17-F20 CarbonylContact O-C 3.6Å; F17-F20 WeakPolarHBondContact O-CA 3.38Å; F17-F20 WeakPolarHBondContact O-CB 3.12Å; F17-F20 PolarHBondContact O-N 3.17Å; F20-K22 PolarHBondContact O-N 3.23Å; F20-K22 VanDerWaalsContact O-N 3.1Å; F20-I28 HydrophobicContact CB-CD1 3.42Å; F20-I28 VanDerWaalsContact CB-CD1 3.42Å; F20-I28 HydrophobicContact CB-CG1 3.69Å; F20-I28 HydrophobicContact CB-CG2 3.99Å; F20-I28 HydrophobicContact CD2-CD1 4.41Å; F20-I28 HydrophobicContact CG-CD1 4.06Å; F20-E32 WeakPolarHBondContact O-CB 3.34Å; F20-L33 HydrophobicContact CD1-CD1 3.92Å; F20-L33 HydrophobicContact CE1-CD1 3.86Å; F20-V36 HydrophobicContact CB-CG2 4.43Å; F20-V36 HydrophobicContact CD1-CB 3.59Å; F20-V36 HydrophobicContact CD1-CG1 3.71Å; F20-V36 HydrophobicContact CD1-CG2 3.73Å; F20-V36 HydrophobicContact CE1-CB 3.69Å; F20-V36 HydrophobicContact CE1-CG1 3.37Å; F20-V36 HydrophobicContact CE1-CG2 4.29Å; F20-V36 HydrophobicContact CG-CB 4.5Å; F20-V36 HydrophobicContact CG-CG1 4.49Å; F20-V36 HydrophobicContact CG-CG2 4.23Å; F20-V36 HydrophobicContact CZ-CG1 3.9Å; F20-F69 AromaticContact CD2-CE2 3.76Å; F20-F69 HydrophobicContact CD2-CE2 3.76Å; F20-F69 AromaticContact CD2-CZ 3.87Å; F20-F69 HydrophobicContact CD2-CZ 3.87Å; F20-F69 AromaticContact CE2-CE2 3.87Å; F20-F69 HydrophobicContact CE2-CE2 3.87Å; F20-F69 AromaticContact CE2-CZ 3.84Å; F20-F69 HydrophobicContact CE2-CZ 3.84Å
21D87.4Confident84.8Confident16 Ų1666.2 Ų66.29%0.08637%0.367CS..  trans-69.199.1176.5176.88.3000110.1F17 G24 D25 G26 I28F17-D21 HydrophobicContact CD1-CB 3.97Å; F17-D21 HydrophobicContact CE1-CB 3.67Å; F17-D21 HydrophobicContact CZ-CB 4.39Å; F17-D21 PolarHBondContact O-N 3Å; D21-G24 WeakPolarHBondContact OD1-CA 3.28Å; D21-G24 PolarHBondContact OD1-N 2.91Å; D21-G24 WeakPolarHBondContact OD2-CA 3.41Å; D21-D25 PolarHBondContact OD1-N 3.02Å; D21-G26 WeakPolarHBondContact OD2-CA 3.26Å; D21-G26 PolarHBondContact OD2-N 3.22Å; D21-I28 HydrophobicContact CB-CG1 4.31Å
22K82.1Confident85.2Confident133 Ų13364.7 Ų64.758%0.57835%0.352SS*.SBendtrans-86.7-33.1-174.3-73-53.2-168.7-152.90112.3L19 F20 E32L19-K22 WeakPolarHBondContact O-CE 3.31Å; L19-K22 PolarHBondContact O-NZ 3.45Å; F20-K22 PolarHBondContact O-N 3.23Å; F20-K22 VanDerWaalsContact O-N 3.1Å; K22-E32 PolarHBondContact N-OE1 3.37Å
23D84.9Confident85.5Confident111 Ų11159.8 Ų59.859%0.59433%0.329SS*.SBendtrans-91.5-10.6-178.767.212.1000113D25D23-D25 VanDerWaalsContact C-N 3.32Å; D23-D25 WeakPolarHBondContact OD1-CB 3.36Å; D23-D25 VanDerWaalsContact OD1-CG 3.32Å; D23-D25 PolarHBondContact OD1-N 2.98Å; D23-D25 VanDerWaalsContact OD1-N 3.1Å
24G84.6Confident85.9Confident58 Ų5859.4 Ų59.460%0.59833%0.328SS*.  trans75.522.6174.900000112.6D21 G26D21-G24 WeakPolarHBondContact OD1-CA 3.28Å; D21-G24 PolarHBondContact OD1-N 2.91Å; D21-G24 WeakPolarHBondContact OD2-CA 3.41Å; G24-G26 PolarHBondContact O-N 3.01Å
25D86.1Confident86.1Confident93 Ų9356.1 Ų56.150%0.49732%0.319SS..SBendtrans-77.9-8.4-17985-11.9000113D21 D23 C27D21-D25 PolarHBondContact OD1-N 3.02Å; D23-D25 VanDerWaalsContact C-N 3.32Å; D23-D25 WeakPolarHBondContact OD1-CB 3.36Å; D23-D25 VanDerWaalsContact OD1-CG 3.32Å; D23-D25 PolarHBondContact OD1-N 2.98Å; D23-D25 VanDerWaalsContact OD1-N 3.1Å; D25-C27 WeakPolarHBondContact OD1-CA 3.46Å; D25-C27 WeakPolarHBondContact OD1-CB 3.28Å; D25-C27 PolarHBondContact OD1-N 3.49Å
26G85.2Confident86.1Confident32 Ų3249.8 Ų49.833%0.3329%0.29SS..SBendtrans85.98.9179.100000114.3F17 D21 G24F17-G26 WeakPolarHBondContact CZ-O 3.27Å; D21-G26 WeakPolarHBondContact OD2-CA 3.26Å; D21-G26 PolarHBondContact OD2-N 3.22Å; G24-G26 PolarHBondContact O-N 3.01Å
27C87.6Confident86Confident34 Ų3449.5 Ų49.523%0.2329%0.285CS..EExtended strand (participates in β ladder)trans-133.8126.4-178.7-57.70000110.3D25 T29D25-C27 WeakPolarHBondContact OD1-CA 3.46Å; D25-C27 WeakPolarHBondContact OD1-CB 3.28Å; D25-C27 PolarHBondContact OD1-N 3.49Å; C27-T29 PolarHBondContact O-N 3.5Å
28I88.3Confident86.1Confident4 Ų454.6 Ų54.62%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-87.2116.2176.4-59.8162.7000109F17 F20 D21 E32 L33 V64 F69F17-I28 HydrophobicContact CD2-CD1 3.43Å; F17-I28 VanDerWaalsContact CD2-CD1 3.43Å; F17-I28 HydrophobicContact CD2-CG1 4.11Å; F17-I28 HydrophobicContact CE1-CG1 4.46Å; F17-I28 HydrophobicContact CE2-CD1 3.33Å; F17-I28 HydrophobicContact CE2-CG1 3.61Å; F17-I28 HydrophobicContact CG-CD1 4.23Å; F17-I28 HydrophobicContact CZ-CD1 4.04Å; F17-I28 HydrophobicContact CZ-CG1 3.8Å; F20-I28 HydrophobicContact CB-CD1 3.42Å; F20-I28 VanDerWaalsContact CB-CD1 3.42Å; F20-I28 HydrophobicContact CB-CG1 3.69Å; F20-I28 HydrophobicContact CB-CG2 3.99Å; F20-I28 HydrophobicContact CD2-CD1 4.41Å; F20-I28 HydrophobicContact CG-CD1 4.06Å; D21-I28 HydrophobicContact CB-CG1 4.31Å; I28-E32 HydrophobicContact CG2-CB 4.21Å; I28-L33 HydrophobicContact CG2-CB 4.08Å; I28-V64 HydrophobicContact CB-CB 4.3Å; I28-V64 PolarHBondContact N-O 3.49Å; I28-V64 PolarHBondContact O-N 2.74Å; I28-F69 HydrophobicContact CD1-CD2 3.66Å; I28-F69 HydrophobicContact CD1-CE2 3.96Å; I28-F69 HydrophobicContact CD1-CG 4.36Å
29T89.3Confident85.8Confident37 Ų3755.9 Ų55.923%0.22731%0.312CS..  trans-80.7161172.363.60000111.9C27 Q31 E32 L33 T63C27-T29 PolarHBondContact O-N 3.5Å; T29-Q31 PolarHBondContact O-N 2.83Å; T29-E32 WeakPolarHBondContact CB-OE2 3.38Å; T29-E32 PolarHBondContact N-OE2 3.11Å; T29-E32 PolarHBondContact O-N 3.22Å; T29-E32 VanDerWaalsContact O-N 3.15Å; T29-E32 WeakPolarHBondContact OG1-CG 3.24Å; T29-E32 PolarHBondContact OG1-N 2.73Å; T29-E32 PolarHBondContact OG1-OE2 3.37Å; T29-L33 PolarHBondContact O-N 3.19Å; T29-T63 HydrophobicContact CG2-CG2 4.11Å
30T88.6Confident85.5Confident26 Ų2656.9 Ų56.916%0.1632%0.318CS..Hα-helixtrans-56.4-31.9172.851.10000112.7G34 V53T30-G34 PolarHBondContact O-N 2.86Å; T30-V53 HydrophobicContact CG2-CB 4.06Å; T30-V53 HydrophobicContact CG2-CG1 4.47Å; T30-V53 HydrophobicContact CG2-CG2 3.61Å
31Q87.9Confident85.4Confident149 Ų14959 Ų5970%0.69635%0.347SS*.Hα-helixtrans-68.6-42.7178-65.4-171.2-33.900112.2T29 G34 T35T29-Q31 PolarHBondContact O-N 2.83Å; Q31-G34 PolarHBondContact O-N 2.7Å; Q31-T35 WeakPolarHBondContact O-CB 3.26Å; Q31-T35 PolarHBondContact O-N 3.28Å; Q31-T35 PolarHBondContact O-OG1 2.78Å
32E89.4Confident85Confident16 Ų1663.6 Ų63.68%0.07537%0.368CS..Hα-helixtrans-68.5-45.9177.3-76.4172.2121.900111.8F20 K22 I28 T29 G34 T35 V36F20-E32 WeakPolarHBondContact O-CB 3.34Å; K22-E32 PolarHBondContact N-OE1 3.37Å; I28-E32 HydrophobicContact CG2-CB 4.21Å; T29-E32 WeakPolarHBondContact CB-OE2 3.38Å; T29-E32 PolarHBondContact N-OE2 3.11Å; T29-E32 PolarHBondContact O-N 3.22Å; T29-E32 VanDerWaalsContact O-N 3.15Å; T29-E32 WeakPolarHBondContact OG1-CG 3.24Å; T29-E32 PolarHBondContact OG1-N 2.73Å; T29-E32 PolarHBondContact OG1-OE2 3.37Å; E32-G34 VanDerWaalsContact C-N 3.3Å; E32-G34 PolarHBondContact O-N 2.69Å; E32-T35 WeakPolarHBondContact O-CB 3.42Å; E32-T35 PolarHBondContact O-N 2.9Å; E32-T35 VanDerWaalsContact O-N 3.09Å; E32-V36 PolarHBondContact O-N 3.05Å
33L86.3Confident85.2Confident21 Ų2163.6 Ų63.611%0.1137%0.374CS..Hα-helixtrans-54.5-48.2172.6-177.962.3000111F20 I28 T29 T35 V36 M37 L49 M52 V53F20-L33 HydrophobicContact CD1-CD1 3.92Å; F20-L33 HydrophobicContact CE1-CD1 3.86Å; I28-L33 HydrophobicContact CG2-CB 4.08Å; T29-L33 PolarHBondContact O-N 3.19Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 2.87Å; L33-V36 PolarHBondContact O-N 2.75Å; L33-M37 HydrophobicContact CD1-CG 4.36Å; L33-M37 HydrophobicContact CD1-SD 4.22Å; L33-M37 HydrophobicContact CG-SD 4.08Å; L33-M37 WeakPolarHBondContact O-CG 3.47Å; L33-M37 PolarHBondContact O-N 3.47Å; L33-L49 HydrophobicContact CB-CD2 4.27Å; L33-L49 HydrophobicContact CD2-CD2 3.92Å; L33-L49 HydrophobicContact CG-CD2 3.78Å; L33-M52 HydrophobicContact CD2-CB 4.19Å; L33-V53 HydrophobicContact CD2-CG2 4Å
34G87.3Confident85.3Confident0 Ų059 Ų590%035%0.351CS..Hα-helixtrans-63.3-35.5177.800000113.7T30 Q31 E32 R38T30-G34 PolarHBondContact O-N 2.86Å; Q31-G34 PolarHBondContact O-N 2.7Å; E32-G34 VanDerWaalsContact C-N 3.3Å; E32-G34 PolarHBondContact O-N 2.69Å; G34-R38 WeakPolarHBondContact O-CB 3.49Å; G34-R38 VanDerWaalsContact O-CG 3.32Å; G34-R38 WeakPolarHBondContact O-CG 3.4Å; G34-R38 VanDerWaalsContact O-CZ 3.28Å; G34-R38 PolarHBondContact O-N 3.37Å; G34-R38 PolarHBondContact O-NE 2.8Å
35T87.7Confident85.6Confident60 Ų6060 Ų6037%0.36835%0.345SS..Hα-helixtrans-66.5-40.9177.4-61.90000111.4Q31 E32 L33 S39Q31-T35 WeakPolarHBondContact O-CB 3.26Å; Q31-T35 PolarHBondContact O-N 3.28Å; Q31-T35 PolarHBondContact O-OG1 2.78Å; E32-T35 WeakPolarHBondContact O-CB 3.42Å; E32-T35 PolarHBondContact O-N 2.9Å; E32-T35 VanDerWaalsContact O-N 3.09Å; L33-T35 VanDerWaalsContact C-N 3.32Å; L33-T35 PolarHBondContact O-N 2.87Å; T35-S39 PolarHBondContact O-N 2.97Å; T35-S39 VanDerWaalsContact O-N 3.09Å; T35-S39 PolarHBondContact O-OG 3.35Å
36V84.9Confident85.6Confident13 Ų1363 Ų638%0.07936%0.356CS..Hα-helixtrans-70.3-46.1175.6178.30000111.9L19 F20 E32 L33 R38 S39 L40L19-V36 WeakPolarHBondContact O-CG2 3.28Å; F20-V36 HydrophobicContact CB-CG2 4.43Å; F20-V36 HydrophobicContact CD1-CB 3.59Å; F20-V36 HydrophobicContact CD1-CG1 3.71Å; F20-V36 HydrophobicContact CD1-CG2 3.73Å; F20-V36 HydrophobicContact CE1-CB 3.69Å; F20-V36 HydrophobicContact CE1-CG1 3.37Å; F20-V36 HydrophobicContact CE1-CG2 4.29Å; F20-V36 HydrophobicContact CG-CB 4.5Å; F20-V36 HydrophobicContact CG-CG1 4.49Å; F20-V36 HydrophobicContact CG-CG2 4.23Å; F20-V36 HydrophobicContact CZ-CG1 3.9Å; E32-V36 PolarHBondContact O-N 3.05Å; L33-V36 PolarHBondContact O-N 2.75Å; V36-R38 VanDerWaalsContact C-N 3.26Å; V36-R38 PolarHBondContact O-N 2.98Å; V36-S39 CarbonylContact O-C 3.54Å; V36-S39 WeakPolarHBondContact O-CA 3.35Å; V36-S39 WeakPolarHBondContact O-CB 3.41Å; V36-S39 PolarHBondContact O-N 3.48Å; V36-L40 HydrophobicContact CG1-CD1 4.06Å; V36-L40 HydrophobicContact CG1-CG 4.35Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.2Å
37M80.9Confident85.8Confident19 Ų1965.3 Ų65.39%0.09437%0.372CS..Hα-helixtrans-59-38.8178.9-69.6-175.381.500112L33 L40 G41 Q42 P44 L49 M52L33-M37 HydrophobicContact CD1-CG 4.36Å; L33-M37 HydrophobicContact CD1-SD 4.22Å; L33-M37 HydrophobicContact CG-SD 4.08Å; L33-M37 WeakPolarHBondContact O-CG 3.47Å; L33-M37 PolarHBondContact O-N 3.47Å; M37-L40 PolarHBondContact O-N 3.28Å; M37-G41 PolarHBondContact O-N 2.94Å; M37-Q42 CarbonylContact C-O 3.58Å; M37-Q42 VanDerWaalsContact C-O 3.31Å; M37-Q42 HydrophobicContact CB-CB 4.46Å; M37-Q42 WeakPolarHBondContact O-CA 3.44Å; M37-Q42 WeakPolarHBondContact O-CB 3.47Å; M37-Q42 PolarHBondContact O-N 3.18Å; M37-P44 HydrophobicContact CB-CG 3.76Å; M37-P44 HydrophobicContact CE-CB 4.37Å; M37-P44 HydrophobicContact CE-CG 4.11Å; M37-P44 HydrophobicContact CG-CG 4.41Å; M37-P44 HydrophobicContact SD-CB 4.44Å; M37-P44 HydrophobicContact SD-CG 3.83Å; M37-L49 HydrophobicContact SD-CD2 3.67Å; M37-M52 HydrophobicContact CE-CE 3.75Å; M37-M52 HydrophobicContact CE-SD 3.79Å; M37-M52 HydrophobicContact SD-CE 3.84Å; M37-M52 HydrophobicContact SD-SD 3.78Å
38R85.8Confident85.7Confident117 Ų11768.9 Ų68.944%0.44239%0.385SS..Hα-helixtrans-63.7-37.6170.6-73.3-173.6-66.5-93.4-0.4113.7G34 V36 L40 G41 Q42G34-R38 WeakPolarHBondContact O-CB 3.49Å; G34-R38 VanDerWaalsContact O-CG 3.32Å; G34-R38 WeakPolarHBondContact O-CG 3.4Å; G34-R38 VanDerWaalsContact O-CZ 3.28Å; G34-R38 PolarHBondContact O-N 3.37Å; G34-R38 PolarHBondContact O-NE 2.8Å; V36-R38 VanDerWaalsContact C-N 3.26Å; V36-R38 PolarHBondContact O-N 2.98Å; R38-L40 VanDerWaalsContact C-N 3.26Å; R38-L40 PolarHBondContact O-N 2.94Å; R38-G41 PolarHBondContact O-N 3.35Å; R38-G41 VanDerWaalsContact O-N 3.13Å; R38-Q42 WeakPolarHBondContact CA-O 3.39Å; R38-Q42 PolarHBondContact N-O 3.44Å
39S79.9Confident85.6Confident98 Ų9869 Ų6969%0.68539%0.386SS*.Hα-helixtrans-68.2-27175.5-57.20000112.6T35 V36 G41T35-S39 PolarHBondContact O-N 2.97Å; T35-S39 VanDerWaalsContact O-N 3.09Å; T35-S39 PolarHBondContact O-OG 3.35Å; V36-S39 CarbonylContact O-C 3.54Å; V36-S39 WeakPolarHBondContact O-CA 3.35Å; V36-S39 WeakPolarHBondContact O-CB 3.41Å; V36-S39 PolarHBondContact O-N 3.48Å; S39-G41 VanDerWaalsContact C-N 3.26Å
40L77.7Confident85.5Confident129 Ų12970.6 Ų70.668%0.67539%0.391SS*.THydrogen-bonded Turntrans-84.13.9173.4-64173.7000113.3V36 M37 R38V36-L40 HydrophobicContact CG1-CD1 4.06Å; V36-L40 HydrophobicContact CG1-CG 4.35Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.2Å; M37-L40 PolarHBondContact O-N 3.28Å; R38-L40 VanDerWaalsContact C-N 3.26Å; R38-L40 PolarHBondContact O-N 2.94Å
41G80.9Confident85.3Confident72 Ų7270.7 Ų70.774%0.74240%0.398SS*.THydrogen-bonded Turntrans84.95.4178.200000115M37 R38 S39M37-G41 PolarHBondContact O-N 2.94Å; R38-G41 PolarHBondContact O-N 3.35Å; R38-G41 VanDerWaalsContact O-N 3.13Å; S39-G41 VanDerWaalsContact C-N 3.26Å
42Q80.7Confident85.1Confident113 Ų11365.7 Ų65.753%0.52838%0.375SS..  trans-91.5147.7171.5-61.7-161.3-44.800110.6M37 R38 P44M37-Q42 CarbonylContact C-O 3.58Å; M37-Q42 VanDerWaalsContact C-O 3.31Å; M37-Q42 HydrophobicContact CB-CB 4.46Å; M37-Q42 WeakPolarHBondContact O-CA 3.44Å; M37-Q42 WeakPolarHBondContact O-CB 3.47Å; M37-Q42 PolarHBondContact O-N 3.18Å; R38-Q42 WeakPolarHBondContact CA-O 3.39Å; R38-Q42 PolarHBondContact N-O 3.44Å; Q42-P44 VanDerWaalsContact C-CD 3.4Å; Q42-P44 WeakPolarHBondContact O-CD 3.39Å
43N85.7Confident84.9Confident133 Ų13365 Ų6571%0.71137%0.372SS*.  trans-124.967.3179.5-158.865.9000111.7
44P87.1Confident84.9Confident16 Ų1668.4 Ų68.410%0.10439%0.39CS..  trans-68.4148.2-178.731.1-36.9000111.4M37 Q42 E48 L49M37-P44 HydrophobicContact CB-CG 3.76Å; M37-P44 HydrophobicContact CE-CB 4.37Å; M37-P44 HydrophobicContact CE-CG 4.11Å; M37-P44 HydrophobicContact CG-CG 4.41Å; M37-P44 HydrophobicContact SD-CB 4.44Å; M37-P44 HydrophobicContact SD-CG 3.83Å; Q42-P44 VanDerWaalsContact C-CD 3.4Å; Q42-P44 WeakPolarHBondContact O-CD 3.39Å; P44-E48 HydrophobicContact CB-CB 4.3Å; P44-L49 HydrophobicContact CB-CD2 4.15Å; P44-L49 HydrophobicContact CB-CG 4.13Å; P44-L49 HydrophobicContact CG-CD1 4.35Å; P44-L49 HydrophobicContact CG-CD2 3.73Å; P44-L49 HydrophobicContact CG-CG 4.02Å
45T90.3Very high84.6Confident78 Ų7876 Ų7648%0.47943%0.425SS..  trans-77.5160.9172.261.50000111.4A47 E48 L49T45-A47 PolarHBondContact O-N 3.4Å; T45-E48 WeakPolarHBondContact CB-OE2 3.5Å; T45-E48 PolarHBondContact N-OE2 3.26Å; T45-E48 PolarHBondContact O-N 2.91Å; T45-E48 VanDerWaalsContact O-N 3.13Å; T45-E48 VanDerWaalsContact OG1-CG 3.32Å; T45-E48 WeakPolarHBondContact OG1-CG 3.45Å; T45-E48 PolarHBondContact OG1-N 2.86Å; T45-E48 PolarHBondContact OG1-OE2 3.45Å; T45-L49 WeakPolarHBondContact O-CG 3.24Å; T45-L49 PolarHBondContact O-N 3.42Å
46E87.1Confident84.3Confident156 Ų15674.3 Ų74.373%0.72941%0.414SS*.Hα-helixtrans-59.6-34.6176.6-170.2168.590.400112.2L49 Q50E46-L49 PolarHBondContact O-N 3.29Å; E46-Q50 VanDerWaalsContact O-CB 3.3Å; E46-Q50 WeakPolarHBondContact O-CB 3.34Å; E46-Q50 PolarHBondContact O-N 2.98Å
47A88.5Confident84.3Confident80 Ų8074.7 Ų74.766%0.66142%0.415SS*.Hα-helixtrans-66.6-38.9175.600000112.6T45 G51T45-A47 PolarHBondContact O-N 3.4Å; A47-G51 PolarHBondContact O-N 3.34Å
48E85.8Confident84.3Confident109 Ų10980.9 Ų80.951%0.50944%0.442SS..Hα-helixtrans-67.5-44174.5-72.9167.9123.500111.1P44 T45 Q50 G51 M52P44-E48 HydrophobicContact CB-CB 4.3Å; T45-E48 WeakPolarHBondContact CB-OE2 3.5Å; T45-E48 PolarHBondContact N-OE2 3.26Å; T45-E48 PolarHBondContact O-N 2.91Å; T45-E48 VanDerWaalsContact O-N 3.13Å; T45-E48 VanDerWaalsContact OG1-CG 3.32Å; T45-E48 WeakPolarHBondContact OG1-CG 3.45Å; T45-E48 PolarHBondContact OG1-N 2.86Å; T45-E48 PolarHBondContact OG1-OE2 3.45Å; E48-Q50 VanDerWaalsContact C-N 3.34Å; E48-Q50 PolarHBondContact O-N 3.25Å; E48-G51 PolarHBondContact O-N 2.77Å; E48-M52 VanDerWaalsContact O-CG 3.26Å; E48-M52 WeakPolarHBondContact O-CG 3.19Å; E48-M52 PolarHBondContact O-N 2.94Å
49L86.4Confident84.1Confident8 Ų880 Ų804%0.04245%0.446CS..Hα-helixtrans-61.1-43.7176.2-68.5169.3000111.7L33 M37 P44 T45 E46 G51 M52 V53L33-L49 HydrophobicContact CB-CD2 4.27Å; L33-L49 HydrophobicContact CD2-CD2 3.92Å; L33-L49 HydrophobicContact CG-CD2 3.78Å; M37-L49 HydrophobicContact SD-CD2 3.67Å; P44-L49 HydrophobicContact CB-CD2 4.15Å; P44-L49 HydrophobicContact CB-CG 4.13Å; P44-L49 HydrophobicContact CG-CD1 4.35Å; P44-L49 HydrophobicContact CG-CD2 3.73Å; P44-L49 HydrophobicContact CG-CG 4.02Å; T45-L49 WeakPolarHBondContact O-CG 3.24Å; T45-L49 PolarHBondContact O-N 3.42Å; E46-L49 PolarHBondContact O-N 3.29Å; L49-G51 VanDerWaalsContact C-N 3.34Å; L49-M52 PolarHBondContact O-N 3.33Å; L49-V53 WeakPolarHBondContact O-CG2 3.34Å; L49-V53 PolarHBondContact O-N 3.12Å
50Q86.2Confident84.3Confident69 Ų6978.3 Ų78.332%0.32244%0.443SS..Hα-helixtrans-65.7-39176-168.266.355.100111.4E46 E48 V53 N54E46-Q50 VanDerWaalsContact O-CB 3.3Å; E46-Q50 WeakPolarHBondContact O-CB 3.34Å; E46-Q50 PolarHBondContact O-N 2.98Å; E48-Q50 VanDerWaalsContact C-N 3.34Å; E48-Q50 PolarHBondContact O-N 3.25Å; Q50-V53 PolarHBondContact O-N 3.23Å; Q50-N54 PolarHBondContact NE2-OD1 3.09Å; Q50-N54 VanDerWaalsContact O-CB 3.26Å; Q50-N54 WeakPolarHBondContact O-CB 3.09Å; Q50-N54 PolarHBondContact O-N 3.32Å; Q50-N54 PolarHBondContact O-ND2 2.82Å; Q50-N54 PolarHBondContact O-OD1 2.92Å
51G85.4Confident84.6Confident29 Ų2975.7 Ų75.730%0.29943%0.43SS..Hα-helixtrans-58.1-50.5172.800000111.4A47 E48 L49 V53 N54 E55A47-G51 PolarHBondContact O-N 3.34Å; E48-G51 PolarHBondContact O-N 2.77Å; L49-G51 VanDerWaalsContact C-N 3.34Å; G51-V53 PolarHBondContact O-N 3.31Å; G51-N54 PolarHBondContact O-N 2.72Å; G51-E55 WeakPolarHBondContact O-CG 3.29Å; G51-E55 PolarHBondContact O-N 2.97Å
52M82.5Confident84.8Confident44 Ų4473.7 Ų73.722%0.21741%0.41CS..Hα-helixtrans-60.1-43.2178.3-68.7174.178.200112.4L33 M37 E48 L49 I56L33-M52 HydrophobicContact CD2-CB 4.19Å; M37-M52 HydrophobicContact CE-CE 3.75Å; M37-M52 HydrophobicContact CE-SD 3.79Å; M37-M52 HydrophobicContact SD-CE 3.84Å; M37-M52 HydrophobicContact SD-SD 3.78Å; E48-M52 VanDerWaalsContact O-CG 3.26Å; E48-M52 WeakPolarHBondContact O-CG 3.19Å; E48-M52 PolarHBondContact O-N 2.94Å; L49-M52 PolarHBondContact O-N 3.33Å; M52-I56 WeakPolarHBondContact O-CD1 3.31Å; M52-I56 VanDerWaalsContact O-CG1 3.27Å; M52-I56 WeakPolarHBondContact O-CG1 3.43Å
53V85.6Confident85.1Confident1 Ų169.8 Ų69.81%0.00639%0.393CS..Hα-helixtrans-64.3-49.8175.71690000110.4T30 L33 L49 Q50 G51 E55 I56 D57 V64T30-V53 HydrophobicContact CG2-CB 4.06Å; T30-V53 HydrophobicContact CG2-CG1 4.47Å; T30-V53 HydrophobicContact CG2-CG2 3.61Å; L33-V53 HydrophobicContact CD2-CG2 4Å; L49-V53 WeakPolarHBondContact O-CG2 3.34Å; L49-V53 PolarHBondContact O-N 3.12Å; Q50-V53 PolarHBondContact O-N 3.23Å; G51-V53 PolarHBondContact O-N 3.31Å; V53-E55 PolarHBondContact O-N 3.06Å; V53-I56 PolarHBondContact O-N 3.44Å; V53-D57 HydrophobicContact CG1-CB 4.19Å; V53-D57 WeakPolarHBondContact O-CB 3.39Å; V53-D57 PolarHBondContact O-N 3.15Å; V53-V64 HydrophobicContact CB-CG2 4.35Å; V53-V64 HydrophobicContact CG1-CG2 4.03Å; V53-V64 HydrophobicContact CG2-CG2 4.09Å
54N85.6Confident85.2Confident92 Ų9263.7 Ų63.749%0.49236%0.361SS..Hα-helixtrans-62.7-26.5-178.9-69-9.6000113.9Q50 G51 I56Q50-N54 PolarHBondContact NE2-OD1 3.09Å; Q50-N54 VanDerWaalsContact O-CB 3.26Å; Q50-N54 WeakPolarHBondContact O-CB 3.09Å; Q50-N54 PolarHBondContact O-N 3.32Å; Q50-N54 PolarHBondContact O-ND2 2.82Å; Q50-N54 PolarHBondContact O-OD1 2.92Å; G51-N54 PolarHBondContact O-N 2.72Å; N54-I56 PolarHBondContact O-N 3.42Å
55E82.4Confident85.3Confident159 Ų15965 Ų6574%0.74337%0.367SS*.Hα-helixtrans-70.4-21.4174.9-78.1-174.1100.500113G51 V53G51-E55 WeakPolarHBondContact O-CG 3.29Å; G51-E55 PolarHBondContact O-N 2.97Å; V53-E55 PolarHBondContact O-N 3.06Å
56I80.4Confident85Confident26 Ų2663.7 Ų63.713%0.13336%0.355CS..Hα-helixtrans-111.1-38.7-171.2-56.7164000111.2M52 V53 N54 K58 V64 E68 M72M52-I56 WeakPolarHBondContact O-CD1 3.31Å; M52-I56 VanDerWaalsContact O-CG1 3.27Å; M52-I56 WeakPolarHBondContact O-CG1 3.43Å; V53-I56 PolarHBondContact O-N 3.44Å; N54-I56 PolarHBondContact O-N 3.42Å; I56-K58 PolarHBondContact O-N 2.82Å; I56-K58 VanDerWaalsContact O-N 3.1Å; I56-V64 HydrophobicContact CB-CG2 4.38Å; I56-V64 HydrophobicContact CG2-CG1 3.83Å; I56-V64 HydrophobicContact CG2-CG2 4.34Å; I56-E68 HydrophobicContact CG2-CB 3.98Å; I56-E68 WeakPolarHBondContact CG2-O 3.18Å; I56-M72 HydrophobicContact CD1-CB 3.85Å; I56-M72 HydrophobicContact CD1-CE 3.83Å; I56-M72 HydrophobicContact CD1-CG 3.49Å; I56-M72 VanDerWaalsContact CD1-CG 3.49Å; I56-M72 HydrophobicContact CD1-SD 4.37Å; I56-M72 HydrophobicContact CG1-CB 3.9Å; I56-M72 HydrophobicContact CG1-CG 3.85Å; I56-M72 HydrophobicContact CG2-CB 3.87Å
57D85.6Confident84.8Confident20 Ų2060.3 Ų60.311%0.10735%0.347CS..  trans-61.9100.3177.1177.48.5000110.2V53 D59 G60 N61 G62V53-D57 HydrophobicContact CG1-CB 4.19Å; V53-D57 WeakPolarHBondContact O-CB 3.39Å; V53-D57 PolarHBondContact O-N 3.15Å; D57-D59 PolarHBondContact OD1-N 2.88Å; D57-G60 WeakPolarHBondContact OD1-CA 3.23Å; D57-G60 PolarHBondContact OD1-N 3.16Å; D57-G60 VanDerWaalsContact OD2-C 3.28Å; D57-G60 VanDerWaalsContact OD2-CA 3.31Å; D57-G60 WeakPolarHBondContact OD2-CA 3.36Å; D57-N61 PolarHBondContact OD1-N 3.04Å; D57-N61 VanDerWaalsContact OD1-N 3.17Å; D57-N61 PolarHBondContact OD2-N 3.34Å; D57-G62 WeakPolarHBondContact OD2-CA 3.43Å; D57-G62 PolarHBondContact OD2-N 3.08Å
58K79.6Confident84.7Confident150 Ų15057 Ų5765%0.65232%0.317SS*.SBendtrans-88.6-27.9-178.5-70.3-179.2-172.5160.70111.8I56 E68 S71I56-K58 PolarHBondContact O-N 2.82Å; I56-K58 VanDerWaalsContact O-N 3.1Å; K58-E68 PolarHBondContact N-OE1 3.4Å; K58-S71 PolarHBondContact NZ-OG 3.49Å
59D83.6Confident84.5Confident99 Ų9952.3 Ų52.353%0.52930%0.295SS..SBendtrans-88.8-11.5-17979.7-9.9000112.8D57 N61 E68D57-D59 PolarHBondContact OD1-N 2.88Å; D59-N61 VanDerWaalsContact C-N 3.33Å; D59-N61 VanDerWaalsContact CG-ND2 3.27Å; D59-N61 WeakPolarHBondContact OD1-CB 3.45Å; D59-N61 PolarHBondContact OD1-N 3.18Å; D59-N61 PolarHBondContact OD1-ND2 3.07Å; D59-N61 PolarHBondContact OD1-OD1 2.91Å; D59-N61 PolarHBondContact OD2-ND2 3.3Å; D59-E68 PolarHBondContact N-OE1 2.85Å
60G82.9Confident84.3Confident61 Ų6153.3 Ų53.363%0.62930%0.3SS*.  trans74.123.1176.900000113.1D57 G62D57-G60 WeakPolarHBondContact OD1-CA 3.23Å; D57-G60 PolarHBondContact OD1-N 3.16Å; D57-G60 VanDerWaalsContact OD2-C 3.28Å; D57-G60 VanDerWaalsContact OD2-CA 3.31Å; D57-G60 WeakPolarHBondContact OD2-CA 3.36Å; G60-G62 VanDerWaalsContact C-N 3.27Å; G60-G62 PolarHBondContact O-N 3.37Å
61N84.8Confident83.8Confident75 Ų7551.7 Ų51.740%0.40130%0.297SS..SBendtrans-80.9-7.3-176.474.623.3000113.2D57 D59 T63D57-N61 PolarHBondContact OD1-N 3.04Å; D57-N61 VanDerWaalsContact OD1-N 3.17Å; D57-N61 PolarHBondContact OD2-N 3.34Å; D59-N61 VanDerWaalsContact C-N 3.33Å; D59-N61 VanDerWaalsContact CG-ND2 3.27Å; D59-N61 WeakPolarHBondContact OD1-CB 3.45Å; D59-N61 PolarHBondContact OD1-N 3.18Å; D59-N61 PolarHBondContact OD1-ND2 3.07Å; D59-N61 PolarHBondContact OD1-OD1 2.91Å; D59-N61 PolarHBondContact OD2-ND2 3.3Å; N61-T63 VanDerWaalsContact C-N 3.34Å; N61-T63 PolarHBondContact ND2-OG1 2.95Å; N61-T63 WeakPolarHBondContact OD1-CA 3.37Å; N61-T63 WeakPolarHBondContact OD1-CB 3.12Å; N61-T63 PolarHBondContact OD1-N 2.76Å; N61-T63 PolarHBondContact OD1-O 2.98Å; N61-T63 PolarHBondContact OD1-OG1 3.38Å
62G84.1Confident83.4Confident30 Ų3052 Ų5231%0.30929%0.291SS..SBendtrans80.910.817900000114.5D57 G60D57-G62 WeakPolarHBondContact OD2-CA 3.43Å; D57-G62 PolarHBondContact OD2-N 3.08Å; G60-G62 VanDerWaalsContact C-N 3.27Å; G60-G62 PolarHBondContact O-N 3.37Å
63T86.7Confident82.9Confident30 Ų3051.8 Ų51.818%0.18429%0.29CS..SBendtrans-132.5165.6177.167.10000109.5T29 N61T29-T63 HydrophobicContact CG2-CG2 4.11Å; N61-T63 VanDerWaalsContact C-N 3.34Å; N61-T63 PolarHBondContact ND2-OG1 2.95Å; N61-T63 WeakPolarHBondContact OD1-CA 3.37Å; N61-T63 WeakPolarHBondContact OD1-CB 3.12Å; N61-T63 PolarHBondContact OD1-N 2.76Å; N61-T63 PolarHBondContact OD1-O 2.98Å; N61-T63 PolarHBondContact OD1-OG1 3.38Å
64V87.9Confident82.1Confident6 Ų653.3 Ų53.34%0.03630%0.301CS..EExtended strand (participates in β ladder)trans-112.5113177.1179.10000109.1I28 V53 I56 E68 F69I28-V64 HydrophobicContact CB-CB 4.3Å; I28-V64 PolarHBondContact N-O 3.49Å; I28-V64 PolarHBondContact O-N 2.74Å; V53-V64 HydrophobicContact CB-CG2 4.35Å; V53-V64 HydrophobicContact CG1-CG2 4.03Å; V53-V64 HydrophobicContact CG2-CG2 4.09Å; I56-V64 HydrophobicContact CB-CG2 4.38Å; I56-V64 HydrophobicContact CG2-CG1 3.83Å; I56-V64 HydrophobicContact CG2-CG2 4.34Å; V64-E68 HydrophobicContact CG1-CB 3.93Å; V64-F69 HydrophobicContact CG1-CB 3.96Å
65D89.2Confident81.1Confident42 Ų4257.3 Ų57.323%0.22531%0.309CS..EExtended strand (participates in β ladder)trans-78168.4174.674.232.6000112.3P67 E68 F69D65-P67 WeakPolarHBondContact OD1-CA 3.19Å; D65-P67 VanDerWaalsContact OD1-CB 3.31Å; D65-P67 WeakPolarHBondContact OD1-CB 3.27Å; D65-P67 WeakPolarHBondContact OD1-CD 3.29Å; D65-P67 WeakPolarHBondContact OD1-CG 3.41Å; D65-P67 VanDerWaalsContact OD1-N 3.13Å; D65-E68 PolarHBondContact N-OE2 2.97Å; D65-E68 PolarHBondContact O-N 3.48Å; D65-E68 WeakPolarHBondContact OD1-CB 2.98Å; D65-E68 VanDerWaalsContact OD1-CG 3.23Å; D65-E68 WeakPolarHBondContact OD1-CG 3.2Å; D65-E68 PolarHBondContact OD1-N 3.46Å; D65-F69 WeakPolarHBondContact O-CB 3.19Å; D65-F69 PolarHBondContact O-N 2.8Å
66F84.1Confident80.2Confident52 Ų5255.1 Ų55.123%0.22830%0.297CS..Hα-helixtrans-58.5-46.9180-177.8-112000113.6I10 K14 F17 E68 F69 L70I10-F66 HydrophobicContact CG2-CE1 4.44Å; I10-F66 HydrophobicContact CG2-CZ 4.26Å; K14-F66 HydrophobicContact CB-CE2 3.98Å; K14-F66 HydrophobicContact CB-CZ 3.94Å; K14-F66 HydrophobicContact CG-CE2 4.26Å; K14-F66 HydrophobicContact CG-CZ 4.29Å; F17-F66 HydrophobicContact CB-CD2 3.92Å; F17-F66 HydrophobicContact CB-CE2 4.11Å; F17-F66 HydrophobicContact CD1-CD2 4.22Å; F17-F66 HydrophobicContact CD2-CB 4.4Å; F17-F66 AromaticContact CD2-CD2 3.79Å; F17-F66 HydrophobicContact CD2-CD2 3.79Å; F17-F66 HydrophobicContact CE2-CB 4.13Å; F17-F66 HydrophobicContact CE2-CD2 4.36Å; F17-F66 AromaticContact CG-CD2 3.71Å; F17-F66 HydrophobicContact CG-CD2 3.71Å; F17-F66 HydrophobicContact CG-CE2 4.4Å; F17-F66 HydrophobicContact CZ-CB 4.2Å; F66-E68 VanDerWaalsContact C-N 3.32Å; F66-E68 PolarHBondContact O-N 2.83Å; F66-F69 PolarHBondContact O-N 2.78Å; F66-L70 HydrophobicContact CD1-CD1 4Å; F66-L70 HydrophobicContact CD1-CG 4.48Å; F66-L70 HydrophobicContact CE1-CD1 3.57Å; F66-L70 HydrophobicContact CE1-CG 4.14Å; F66-L70 HydrophobicContact CE2-CD1 4.5Å; F66-L70 HydrophobicContact CE2-CD2 4.25Å; F66-L70 HydrophobicContact CE2-CG 4.19Å; F66-L70 HydrophobicContact CZ-CD1 3.85Å; F66-L70 HydrophobicContact CZ-CD2 4.01Å; F66-L70 HydrophobicContact CZ-CG 3.99Å; F66-L70 WeakPolarHBondContact O-CG 3.44Å; F66-L70 PolarHBondContact O-N 2.88Å
67P84Confident78.9Confident85 Ų8557.1 Ų57.155%0.55231%0.306SS*.Hα-helixtrans-52.9-42170.2-26.329.3000115.4D65 L70 S71D65-P67 WeakPolarHBondContact OD1-CA 3.19Å; D65-P67 VanDerWaalsContact OD1-CB 3.31Å; D65-P67 WeakPolarHBondContact OD1-CB 3.27Å; D65-P67 WeakPolarHBondContact OD1-CD 3.29Å; D65-P67 WeakPolarHBondContact OD1-CG 3.41Å; D65-P67 VanDerWaalsContact OD1-N 3.13Å; P67-L70 PolarHBondContact O-N 3.2Å; P67-S71 PolarHBondContact O-N 2.85Å
68E85.4Confident77.5Confident10 Ų1061.7 Ų61.75%0.04733%0.325CS..Hα-helixtrans-69.6-42.9178.9-72.5176.1143.900111.4I56 K58 D59 V64 D65 F66 L70 S71 M72I56-E68 HydrophobicContact CG2-CB 3.98Å; I56-E68 WeakPolarHBondContact CG2-O 3.18Å; K58-E68 PolarHBondContact N-OE1 3.4Å; D59-E68 PolarHBondContact N-OE1 2.85Å; V64-E68 HydrophobicContact CG1-CB 3.93Å; D65-E68 PolarHBondContact N-OE2 2.97Å; D65-E68 PolarHBondContact O-N 3.48Å; D65-E68 WeakPolarHBondContact OD1-CB 2.98Å; D65-E68 VanDerWaalsContact OD1-CG 3.23Å; D65-E68 WeakPolarHBondContact OD1-CG 3.2Å; D65-E68 PolarHBondContact OD1-N 3.46Å; F66-E68 VanDerWaalsContact C-N 3.32Å; F66-E68 PolarHBondContact O-N 2.83Å; E68-L70 VanDerWaalsContact C-N 3.35Å; E68-L70 PolarHBondContact O-N 3.4Å; E68-S71 WeakPolarHBondContact O-CB 3.46Å; E68-S71 PolarHBondContact O-N 2.83Å; E68-S71 VanDerWaalsContact O-N 3.1Å; E68-M72 PolarHBondContact O-N 3.4Å
69F83.1Confident76.3Confident10 Ų1060.5 Ų60.54%0.04433%0.326CS..Hα-helixtrans-58.8-44.1171.9-176.3-97.8000112A16 F17 F20 I28 V64 D65 F66 S71 M72 M73A16-F69 HydrophobicContact CB-CE1 4.43Å; A16-F69 HydrophobicContact CB-CZ 4.34Å; F17-F69 HydrophobicContact CB-CD1 4.16Å; F17-F69 HydrophobicContact CB-CE1 4.03Å; F17-F69 HydrophobicContact CD2-CB 3.71Å; F17-F69 AromaticContact CD2-CD1 3.76Å; F17-F69 HydrophobicContact CD2-CD1 3.76Å; F17-F69 HydrophobicContact CD2-CD2 4.06Å; F17-F69 HydrophobicContact CD2-CE1 4.32Å; F17-F69 AromaticContact CD2-CG 3.6Å; F17-F69 HydrophobicContact CD2-CG 3.6Å; F17-F69 HydrophobicContact CE2-CB 3.91Å; F17-F69 HydrophobicContact CE2-CG 4.24Å; F17-F69 HydrophobicContact CG-CD1 4.47Å; F20-F69 AromaticContact CD2-CE2 3.76Å; F20-F69 HydrophobicContact CD2-CE2 3.76Å; F20-F69 AromaticContact CD2-CZ 3.87Å; F20-F69 HydrophobicContact CD2-CZ 3.87Å; F20-F69 AromaticContact CE2-CE2 3.87Å; F20-F69 HydrophobicContact CE2-CE2 3.87Å; F20-F69 AromaticContact CE2-CZ 3.84Å; F20-F69 HydrophobicContact CE2-CZ 3.84Å; I28-F69 HydrophobicContact CD1-CD2 3.66Å; I28-F69 HydrophobicContact CD1-CE2 3.96Å; I28-F69 HydrophobicContact CD1-CG 4.36Å; V64-F69 HydrophobicContact CG1-CB 3.96Å; D65-F69 WeakPolarHBondContact O-CB 3.19Å; D65-F69 PolarHBondContact O-N 2.8Å; F66-F69 PolarHBondContact O-N 2.78Å; F69-S71 VanDerWaalsContact C-N 3.31Å; F69-S71 PolarHBondContact O-N 3.43Å; F69-M72 PolarHBondContact O-N 3.01Å; F69-M73 HydrophobicContact CD1-CG 4.03Å; F69-M73 HydrophobicContact CE1-CE 3.89Å; F69-M73 HydrophobicContact CE1-CG 3.7Å; F69-M73 HydrophobicContact CE2-CE 3.91Å; F69-M73 HydrophobicContact CE2-CG 4.44Å; F69-M73 HydrophobicContact CZ-CE 3.28Å; F69-M73 HydrophobicContact CZ-CG 3.94Å; F69-M73 HydrophobicContact CZ-SD 4.48Å; F69-M73 WeakPolarHBondContact O-CB 3.5Å; F69-M73 PolarHBondContact O-N 2.85Å
70L80.4Confident74.7Confident29 Ų2959.4 Ų59.415%0.15232%0.323CS..Hα-helixtrans-61.7-39.8174-74.3176.6000111.8L5 F13 F66 P67 E68 M72 S74L5-L70 HydrophobicContact CD1-CB 4.49Å; L5-L70 HydrophobicContact CD1-CD2 3.85Å; F13-L70 HydrophobicContact CB-CD2 3.51Å; F13-L70 HydrophobicContact CD2-CD2 3.49Å; F13-L70 VanDerWaalsContact CD2-CD2 3.49Å; F13-L70 HydrophobicContact CE2-CD2 4.4Å; F13-L70 HydrophobicContact CG-CD2 3.75Å; F66-L70 HydrophobicContact CD1-CD1 4Å; F66-L70 HydrophobicContact CD1-CG 4.48Å; F66-L70 HydrophobicContact CE1-CD1 3.57Å; F66-L70 HydrophobicContact CE1-CG 4.14Å; F66-L70 HydrophobicContact CE2-CD1 4.5Å; F66-L70 HydrophobicContact CE2-CD2 4.25Å; F66-L70 HydrophobicContact CE2-CG 4.19Å; F66-L70 HydrophobicContact CZ-CD1 3.85Å; F66-L70 HydrophobicContact CZ-CD2 4.01Å; F66-L70 HydrophobicContact CZ-CG 3.99Å; F66-L70 WeakPolarHBondContact O-CG 3.44Å; F66-L70 PolarHBondContact O-N 2.88Å; P67-L70 PolarHBondContact O-N 3.2Å; E68-L70 VanDerWaalsContact C-N 3.35Å; E68-L70 PolarHBondContact O-N 3.4Å; L70-M72 VanDerWaalsContact C-N 3.3Å; L70-M72 PolarHBondContact O-N 2.95Å; L70-S74 WeakPolarHBondContact O-CB 3.1Å; L70-S74 PolarHBondContact O-N 3.32Å; L70-S74 PolarHBondContact O-OG 3.24Å
71S77.4Confident73.4Confident36 Ų3660.6 Ų60.625%0.25232%0.315SS..Hα-helixtrans-64.6-35.2176.5-171.40000111.8K58 P67 E68 F69 R75K58-S71 PolarHBondContact NZ-OG 3.49Å; P67-S71 PolarHBondContact O-N 2.85Å; E68-S71 WeakPolarHBondContact O-CB 3.46Å; E68-S71 PolarHBondContact O-N 2.83Å; E68-S71 VanDerWaalsContact O-N 3.1Å; F69-S71 VanDerWaalsContact C-N 3.31Å; F69-S71 PolarHBondContact O-N 3.43Å; S71-R75 PolarHBondContact O-N 2.58Å
72M76.5Confident72.4Confident35 Ų3559.6 Ų59.617%0.17231%0.314CS..Hα-helixtrans-72.1-50.7174.9177.7-101.9-13800111.8I56 E68 F69 L70 S74 R75 K76I56-M72 HydrophobicContact CD1-CB 3.85Å; I56-M72 HydrophobicContact CD1-CE 3.83Å; I56-M72 HydrophobicContact CD1-CG 3.49Å; I56-M72 VanDerWaalsContact CD1-CG 3.49Å; I56-M72 HydrophobicContact CD1-SD 4.37Å; I56-M72 HydrophobicContact CG1-CB 3.9Å; I56-M72 HydrophobicContact CG1-CG 3.85Å; I56-M72 HydrophobicContact CG2-CB 3.87Å; E68-M72 PolarHBondContact O-N 3.4Å; F69-M72 PolarHBondContact O-N 3.01Å; L70-M72 VanDerWaalsContact C-N 3.3Å; L70-M72 PolarHBondContact O-N 2.95Å; M72-S74 VanDerWaalsContact C-N 3.29Å; M72-S74 PolarHBondContact O-N 3.05Å; M72-R75 WeakPolarHBondContact O-CB 3.49Å; M72-R75 PolarHBondContact O-N 3.16Å; M72-K76 HydrophobicContact CE-CD 4.2Å; M72-K76 PolarHBondContact O-N 2.94Å; M72-K76 HydrophobicContact SD-CD 4.13Å; M72-K76 HydrophobicContact SD-CG 4.5Å
73M71.6Confident71.7Confident40 Ų4063 Ų6320%0.19732%0.322CS..Hα-helixtrans-61.7-38179.2-78.8-65.6-165.300112F13 F69 R75 K76 M77F13-M73 HydrophobicContact CD1-CB 3.78Å; F13-M73 HydrophobicContact CD1-CG 3.83Å; F13-M73 HydrophobicContact CD1-SD 4.42Å; F13-M73 HydrophobicContact CE1-CB 3.41Å; F13-M73 VanDerWaalsContact CE1-CB 3.41Å; F13-M73 HydrophobicContact CE1-CG 3.81Å; F13-M73 HydrophobicContact CE1-SD 4.14Å; F13-M73 HydrophobicContact CZ-CB 3.82Å; F69-M73 HydrophobicContact CD1-CG 4.03Å; F69-M73 HydrophobicContact CE1-CE 3.89Å; F69-M73 HydrophobicContact CE1-CG 3.7Å; F69-M73 HydrophobicContact CE2-CE 3.91Å; F69-M73 HydrophobicContact CE2-CG 4.44Å; F69-M73 HydrophobicContact CZ-CE 3.28Å; F69-M73 HydrophobicContact CZ-CG 3.94Å; F69-M73 HydrophobicContact CZ-SD 4.48Å; F69-M73 WeakPolarHBondContact O-CB 3.5Å; F69-M73 PolarHBondContact O-N 2.85Å; M73-R75 VanDerWaalsContact C-N 3.29Å; M73-R75 PolarHBondContact O-N 3.22Å; M73-K76 PolarHBondContact O-N 3.33Å; M73-M77 WeakPolarHBondContact O-CB 3.32Å; M73-M77 PolarHBondContact O-N 2.96Å
74S68.4Low70.9Confident33 Ų3367.1 Ų67.123%0.23134%0.339CS..Hα-helixtrans-64-32.1174.2-62.70000113L5 L70 M72 K78L5-S74 WeakPolarHBondContact CD1-OG 3.42Å; L70-S74 WeakPolarHBondContact O-CB 3.1Å; L70-S74 PolarHBondContact O-N 3.32Å; L70-S74 PolarHBondContact O-OG 3.24Å; M72-S74 VanDerWaalsContact C-N 3.29Å; M72-S74 PolarHBondContact O-N 3.05Å; S74-K78 VanDerWaalsContact O-CG 3.31Å; S74-K78 WeakPolarHBondContact O-CG 3.26Å; S74-K78 PolarHBondContact O-N 3.13Å
75R66Low70.1Confident175 Ų17573.1 Ų73.166%0.6637%0.367SS*.Hα-helixtrans-74.7-47.4173.8-83.5-177.7175.7175.9-2.3110.9S71 M72 M73 K78 D79S71-R75 PolarHBondContact O-N 2.58Å; M72-R75 WeakPolarHBondContact O-CB 3.49Å; M72-R75 PolarHBondContact O-N 3.16Å; M73-R75 VanDerWaalsContact C-N 3.29Å; M73-R75 PolarHBondContact O-N 3.22Å; R75-K78 WeakPolarHBondContact O-CB 3.3Å; R75-K78 PolarHBondContact O-N 3.29Å; R75-D79 PolarHBondContact O-N 3.43Å
76K61.5Low69.5Low113 Ų11372 Ų7249%0.49136%0.361SS..Hα-helixtrans-64.7-39.4179.6-87.8-160.8168.6-159.20113.5M72 M73 D79 T80M72-K76 HydrophobicContact CE-CD 4.2Å; M72-K76 PolarHBondContact O-N 2.94Å; M72-K76 HydrophobicContact SD-CD 4.13Å; M72-K76 HydrophobicContact SD-CG 4.5Å; M73-K76 PolarHBondContact O-N 3.33Å; K76-D79 PolarHBondContact O-N 3.46Å; K76-T80 WeakPolarHBondContact O-CB 3.26Å; K76-T80 PolarHBondContact O-N 2.86Å; K76-T80 PolarHBondContact O-OG1 3.42Å
77M54.9Low69.4Low68 Ų6873.9 Ų73.934%0.33537%0.366SS..Hα-helixtrans-63.2-46173.1-83-164.6168.900110.7F13 M73 D79 T80 D81F13-M77 HydrophobicContact CE1-CE 3.58Å; F13-M77 HydrophobicContact CE1-SD 3.95Å; F13-M77 HydrophobicContact CE2-SD 4.37Å; F13-M77 HydrophobicContact CZ-CE 3.59Å; F13-M77 HydrophobicContact CZ-CG 4.25Å; F13-M77 HydrophobicContact CZ-SD 3.37Å; F13-M77 WeakPolarHBondContact CZ-SD 3.37Å; M73-M77 WeakPolarHBondContact O-CB 3.32Å; M73-M77 PolarHBondContact O-N 2.96Å; M77-D79 PolarHBondContact O-N 3.2Å; M77-T80 PolarHBondContact O-N 2.88Å; M77-T80 VanDerWaalsContact O-N 3.16Å; M77-D81 VanDerWaalsContact O-CB 3.26Å; M77-D81 WeakPolarHBondContact O-CB 3.26Å; M77-D81 PolarHBondContact O-N 2.96Å
78K55.9Low69.3Low116 Ų11676.1 Ų76.150%0.50437%0.369SS..Hα-helixtrans-55.5-40.1174.7-80.9-178.8176-169.50112.7N3 S74 R75 S82N3-K78 WeakPolarHBondContact ND2-CE 3.5Å; S74-K78 VanDerWaalsContact O-CG 3.31Å; S74-K78 WeakPolarHBondContact O-CG 3.26Å; S74-K78 PolarHBondContact O-N 3.13Å; R75-K78 WeakPolarHBondContact O-CB 3.3Å; R75-K78 PolarHBondContact O-N 3.29Å; K78-S82 WeakPolarHBondContact O-CB 3.37Å; K78-S82 PolarHBondContact O-N 3.29Å; K78-S82 PolarHBondContact O-OG 2.86Å
79D54.1Low69.1Low125 Ų12577.1 Ų77.167%0.66838%0.38SS*.Hα-helixtrans-71.5-43.3176.4-103.3-101.8000112.9R75 K76 M77 E83R75-D79 PolarHBondContact O-N 3.43Å; K76-D79 PolarHBondContact O-N 3.46Å; M77-D79 PolarHBondContact O-N 3.2Å; D79-E83 PolarHBondContact O-N 2.87Å
80T49.8Very low69.1Low76 Ų7677.3 Ų77.347%0.46638%0.38SS..Hα-helixtrans-78.5-45.1-172.9-46.70000112.2K76 M77 S82 E83 E84K76-T80 WeakPolarHBondContact O-CB 3.26Å; K76-T80 PolarHBondContact O-N 2.86Å; K76-T80 PolarHBondContact O-OG1 3.42Å; M77-T80 PolarHBondContact O-N 2.88Å; M77-T80 VanDerWaalsContact O-N 3.16Å; T80-S82 VanDerWaalsContact C-N 3.25Å; T80-S82 PolarHBondContact O-N 2.82Å; T80-E83 PolarHBondContact O-N 2.73Å; T80-E84 PolarHBondContact O-N 3.26Å
81D55.6Low69.3Low86 Ų8684.1 Ų84.146%0.4640%0.404SS..Hα-helixtrans-59.2-40.5170.7-74.5-88.4000109.8M77 E84 E85M77-D81 VanDerWaalsContact O-CB 3.26Å; M77-D81 WeakPolarHBondContact O-CB 3.26Å; M77-D81 PolarHBondContact O-N 2.96Å; D81-E84 PolarHBondContact O-N 3.34Å; D81-E85 WeakPolarHBondContact O-CB 3.44Å; D81-E85 WeakPolarHBondContact O-CG 3.31Å; D81-E85 PolarHBondContact O-N 3.33Å
82S64.2Low69.6Low55 Ų5585.9 Ų85.939%0.38541%0.413SS..Hα-helixtrans-63.4-43.9175.3-64.70000112.2K78 T80 I86K78-S82 WeakPolarHBondContact O-CB 3.37Å; K78-S82 PolarHBondContact O-N 3.29Å; K78-S82 PolarHBondContact O-OG 2.86Å; T80-S82 VanDerWaalsContact C-N 3.25Å; T80-S82 PolarHBondContact O-N 2.82Å; S82-I86 WeakPolarHBondContact O-CB 3.32Å; S82-I86 WeakPolarHBondContact O-CD1 3.34Å; S82-I86 WeakPolarHBondContact O-CG1 3.1Å; S82-I86 PolarHBondContact O-N 3.44Å
83E68.2Low70Confident100 Ų10085.2 Ų85.247%0.46741%0.409SS..Hα-helixtrans-64.9-43.8179.4-168.1-173.1104.800112.2D79 T80 I86 R87D79-E83 PolarHBondContact O-N 2.87Å; T80-E83 PolarHBondContact O-N 2.73Å; E83-I86 PolarHBondContact O-N 3.35Å; E83-R87 VanDerWaalsContact O-CB 3.27Å; E83-R87 WeakPolarHBondContact O-CB 3.38Å; E83-R87 PolarHBondContact O-N 3.27Å; E83-R87 IonicContact OE1-CZ 3.41Å; E83-R87 IonicContact OE1-NH1 2.74Å; E83-R87 IonicContact OE1-NH2 3.52Å; E83-R87 PolarHBondContact OE1-NH2 3.2Å
84E69.9Low70.8Confident118 Ų11884.1 Ų84.155%0.55140%0.404SS*.Hα-helixtrans-67.6-43.7177.4-71.3-15998.100111.8T80 D81 I86 R87 E88T80-E84 PolarHBondContact O-N 3.26Å; D81-E84 PolarHBondContact O-N 3.34Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-I86 PolarHBondContact O-N 2.88Å; E84-R87 PolarHBondContact O-N 3.37Å; E84-E88 PolarHBondContact O-N 3.47Å
85E72.1Confident71.4Confident131 Ų13187.8 Ų87.861%0.61242%0.416SS*.Hα-helixtrans-61.4-42174.2-75.3-171.794.300111.6D81 R87 E88 A89D81-E85 WeakPolarHBondContact O-CB 3.44Å; D81-E85 WeakPolarHBondContact O-CG 3.31Å; D81-E85 PolarHBondContact O-N 3.33Å; E85-R87 VanDerWaalsContact C-N 3.34Å; E85-E88 PolarHBondContact O-N 3.39Å; E85-A89 VanDerWaalsContact O-CB 3.29Å; E85-A89 WeakPolarHBondContact O-CB 3.33Å; E85-A89 PolarHBondContact O-N 3.16Å
86I76.9Confident72.3Confident19 Ų1984.4 Ų84.410%0.09741%0.411CS..Hα-helixtrans-65.4-39.2176.4-69.2162.6000110.4S82 E83 E84 A89 F90 Y139 F142 V143 L146 V147S82-I86 WeakPolarHBondContact O-CB 3.32Å; S82-I86 WeakPolarHBondContact O-CD1 3.34Å; S82-I86 WeakPolarHBondContact O-CG1 3.1Å; S82-I86 PolarHBondContact O-N 3.44Å; E83-I86 PolarHBondContact O-N 3.35Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-I86 PolarHBondContact O-N 2.88Å; I86-A89 PolarHBondContact O-N 3.38Å; I86-F90 WeakPolarHBondContact O-CB 3.34Å; I86-F90 PolarHBondContact O-N 3.31Å; I86-Y139 HydrophobicContact CG2-CE2 4.41Å; I86-F142 HydrophobicContact CG2-CD1 3.99Å; I86-F142 HydrophobicContact CG2-CE1 4.21Å; I86-V143 HydrophobicContact CG2-CB 4.48Å; I86-V143 HydrophobicContact CG2-CG2 3.62Å; I86-L146 HydrophobicContact CB-CD1 4.41Å; I86-L146 HydrophobicContact CG1-CD1 3.88Å; I86-L146 HydrophobicContact CG2-CD1 3.97Å; I86-V147 HydrophobicContact CD1-CG2 4.32Å
87R80.9Confident73.5Confident91 Ų9181.9 Ų81.934%0.34342%0.417SS..Hα-helixtrans-68-39.6177.2-172.2179.2-72.1140.93.9112E83 E84 E85 F90 R91 Y139E83-R87 VanDerWaalsContact O-CB 3.27Å; E83-R87 WeakPolarHBondContact O-CB 3.38Å; E83-R87 PolarHBondContact O-N 3.27Å; E83-R87 IonicContact OE1-CZ 3.41Å; E83-R87 IonicContact OE1-NH1 2.74Å; E83-R87 IonicContact OE1-NH2 3.52Å; E83-R87 PolarHBondContact OE1-NH2 3.2Å; E84-R87 PolarHBondContact O-N 3.37Å; E85-R87 VanDerWaalsContact C-N 3.34Å; R87-F90 PolarHBondContact O-N 2.8Å; R87-R91 WeakPolarHBondContact O-CG 3.16Å; R87-R91 PolarHBondContact O-N 3.13Å; R87-R91 VanDerWaalsContact O-N 3.12Å; R87-Y139 HydrophobicContact CB-CE2 4.19Å; R87-Y139 HydrophobicContact CG-CE2 4.41Å
88E82.3Confident75Confident132 Ų13281.9 Ų81.962%0.61742%0.418SS*.Hα-helixtrans-66.2-43.4172.6-72.9-15396.700111.5E84 E85 F90 R91 V92E84-E88 PolarHBondContact O-N 3.47Å; E85-E88 PolarHBondContact O-N 3.39Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 3.09Å; E88-R91 PolarHBondContact O-N 3.43Å; E88-V92 WeakPolarHBondContact O-CG2 3.47Å; E88-V92 PolarHBondContact O-N 3.28Å; E88-V92 VanDerWaalsContact O-N 3.09Å
89A80.8Confident76.5Confident32 Ų3277.9 Ų77.926%0.26441%0.41SS..Hα-helixtrans-57.9-47.2174.100000110.9E85 I86 R91 V92 F93 F142E85-A89 VanDerWaalsContact O-CB 3.29Å; E85-A89 WeakPolarHBondContact O-CB 3.33Å; E85-A89 PolarHBondContact O-N 3.16Å; I86-A89 PolarHBondContact O-N 3.38Å; A89-R91 VanDerWaalsContact C-N 3.31Å; A89-R91 PolarHBondContact O-N 3.04Å; A89-V92 WeakPolarHBondContact O-CA 3.27Å; A89-V92 VanDerWaalsContact O-CB 3.31Å; A89-V92 WeakPolarHBondContact O-CB 3.38Å; A89-V92 PolarHBondContact O-N 3.35Å; A89-F93 WeakPolarHBondContact O-CD2 3.42Å; A89-F93 PolarHBondContact O-N 2.93Å; A89-F93 VanDerWaalsContact O-N 3.15Å; A89-F142 HydrophobicContact CB-CE1 4.23Å; A89-F142 HydrophobicContact CB-CZ 4.44Å
90F83.9Confident78.2Confident13 Ų1376.4 Ų76.46%0.05740%0.396CS..Hα-helixtrans-56.6-43.6177.6-169.5-94.7000112I86 R87 E88 V92 F93 D94 G99 V101 Y139 F142I86-F90 WeakPolarHBondContact O-CB 3.34Å; I86-F90 PolarHBondContact O-N 3.31Å; R87-F90 PolarHBondContact O-N 2.8Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 3.09Å; F90-V92 PolarHBondContact O-N 3.23Å; F90-F93 CarbonylContact O-C 3.6Å; F90-F93 WeakPolarHBondContact O-CA 3.42Å; F90-F93 PolarHBondContact O-N 2.92Å; F90-D94 HydrophobicContact CD1-CB 4.3Å; F90-D94 HydrophobicContact CE1-CB 3.99Å; F90-D94 PolarHBondContact O-N 2.92Å; F90-G99 WeakPolarHBondContact CZ-O 3.35Å; F90-V101 HydrophobicContact CD2-CG2 4.05Å; F90-V101 HydrophobicContact CE2-CG2 3.6Å; F90-V101 HydrophobicContact CZ-CG2 3.92Å; F90-Y139 HydrophobicContact CB-CD2 4.2Å; F90-Y139 HydrophobicContact CB-CE2 4.49Å; F90-Y139 HydrophobicContact CD1-CD2 4.21Å; F90-Y139 HydrophobicContact CD2-CD2 4.17Å; F90-Y139 AromaticContact CG-CD2 3.92Å; F90-Y139 HydrophobicContact CG-CD2 3.92Å; F90-F142 HydrophobicContact CB-CD1 4.14Å; F90-F142 HydrophobicContact CB-CE1 4.17Å; F90-F142 HydrophobicContact CD2-CB 3.66Å; F90-F142 AromaticContact CD2-CD1 3.66Å; F90-F142 HydrophobicContact CD2-CD1 3.66Å; F90-F142 HydrophobicContact CD2-CD2 4.17Å; F90-F142 HydrophobicContact CD2-CE1 4.29Å; F90-F142 AromaticContact CD2-CG 3.57Å; F90-F142 HydrophobicContact CD2-CG 3.57Å; F90-F142 HydrophobicContact CE2-CB 3.82Å; F90-F142 HydrophobicContact CE2-CG 4.14Å; F90-F142 HydrophobicContact CG-CD1 4.41Å
91R84.6Confident80Confident172 Ų17272.9 Ų72.965%0.64937%0.374SS*.Hα-helixtrans-65.4-24.1174.4-72.6175.3177.71722.2114R87 E88 A89R87-R91 WeakPolarHBondContact O-CG 3.16Å; R87-R91 PolarHBondContact O-N 3.13Å; R87-R91 VanDerWaalsContact O-N 3.12Å; E88-R91 PolarHBondContact O-N 3.43Å; A89-R91 VanDerWaalsContact C-N 3.31Å; A89-R91 PolarHBondContact O-N 3.04Å
92V84.6Confident81.6Confident74 Ų7470.1 Ų70.145%0.44836%0.361SS..Hα-helixtrans-71.6-39172.4176.30000109.8E88 A89 F90 K95 V109E88-V92 WeakPolarHBondContact O-CG2 3.47Å; E88-V92 PolarHBondContact O-N 3.28Å; E88-V92 VanDerWaalsContact O-N 3.09Å; A89-V92 WeakPolarHBondContact O-CA 3.27Å; A89-V92 VanDerWaalsContact O-CB 3.31Å; A89-V92 WeakPolarHBondContact O-CB 3.38Å; A89-V92 PolarHBondContact O-N 3.35Å; F90-V92 PolarHBondContact O-N 3.23Å; V92-K95 PolarHBondContact O-NZ 3.39Å; V92-V109 HydrophobicContact CG1-CG1 3.88Å; V92-V109 VanDerWaalsContact O-CG2 3.29Å; V92-V109 WeakPolarHBondContact O-CG2 3.35Å
93F84.3Confident82.7Confident20 Ų2069 Ų699%0.08836%0.356CS..Hα-helixtrans-72-56.9177.1-69.9-76.3000112.8A89 F90 K95 V101 E105 L106 V109 M110 L113 F142A89-F93 WeakPolarHBondContact O-CD2 3.42Å; A89-F93 PolarHBondContact O-N 2.93Å; A89-F93 VanDerWaalsContact O-N 3.15Å; F90-F93 CarbonylContact O-C 3.6Å; F90-F93 WeakPolarHBondContact O-CA 3.42Å; F90-F93 PolarHBondContact O-N 2.92Å; F93-K95 PolarHBondContact O-N 3.29Å; F93-V101 HydrophobicContact CB-CB 4.43Å; F93-V101 HydrophobicContact CB-CG1 3.89Å; F93-V101 HydrophobicContact CB-CG2 3.6Å; F93-E105 WeakPolarHBondContact O-CB 3.2Å; F93-L106 HydrophobicContact CD1-CD1 3.69Å; F93-L106 HydrophobicContact CE1-CD1 3.66Å; F93-V109 HydrophobicContact CD1-CB 3.63Å; F93-V109 HydrophobicContact CD1-CG1 3.59Å; F93-V109 HydrophobicContact CD1-CG2 4.17Å; F93-V109 HydrophobicContact CE1-CB 3.72Å; F93-V109 HydrophobicContact CE1-CG1 3.35Å; F93-V109 HydrophobicContact CG-CG1 4.29Å; F93-V109 HydrophobicContact CZ-CG1 3.86Å; F93-M110 HydrophobicContact CE1-CE 3.95Å; F93-M110 HydrophobicContact CE1-CG 4.44Å; F93-M110 HydrophobicContact CE1-SD 4.46Å; F93-M110 HydrophobicContact CZ-CE 3.97Å; F93-L113 HydrophobicContact CZ-CD1 4.41Å; F93-F142 AromaticContact CD2-CE2 3.72Å; F93-F142 HydrophobicContact CD2-CE2 3.72Å; F93-F142 AromaticContact CD2-CZ 3.46Å; F93-F142 HydrophobicContact CD2-CZ 3.46Å; F93-F142 VanDerWaalsContact CD2-CZ 3.46Å; F93-F142 HydrophobicContact CE2-CE2 4.04Å; F93-F142 AromaticContact CE2-CZ 3.65Å; F93-F142 HydrophobicContact CE2-CZ 3.65Å; F93-F142 HydrophobicContact CG-CE2 4.27Å; F93-F142 HydrophobicContact CG-CZ 4.41Å
94D87.3Confident83.6Confident17 Ų1767.3 Ų67.39%0.09136%0.359CS..  trans-70.795.6176.7178.111.8000110.5F90 G97 N98 G99 V101F90-D94 HydrophobicContact CD1-CB 4.3Å; F90-D94 HydrophobicContact CE1-CB 3.99Å; F90-D94 PolarHBondContact O-N 2.92Å; D94-G97 VanDerWaalsContact OD1-CA 3.26Å; D94-G97 WeakPolarHBondContact OD1-CA 3.46Å; D94-G97 PolarHBondContact OD1-N 2.9Å; D94-G97 VanDerWaalsContact OD2-C 3.29Å; D94-G97 VanDerWaalsContact OD2-CA 3.24Å; D94-G97 WeakPolarHBondContact OD2-CA 3.37Å; D94-N98 PolarHBondContact OD1-N 3.37Å; D94-N98 PolarHBondContact OD2-N 2.85Å; D94-G99 WeakPolarHBondContact OD2-CA 3.16Å; D94-G99 PolarHBondContact OD2-N 2.83Å; D94-V101 HydrophobicContact CB-CG2 4.27Å
95K81.6Confident84.5Confident110 Ų11062.5 Ų62.548%0.47834%0.336SS..SBendtrans-82.7-31.8-175.4-83.7-81.3170.2-81.90111.9V92 F93 E105V92-K95 PolarHBondContact O-NZ 3.39Å; F93-K95 PolarHBondContact O-N 3.29Å; K95-E105 HydrophobicContact CB-CG 4.44Å; K95-E105 PolarHBondContact N-OE1 3.1Å
96D86.1Confident85.1Confident105 Ų10556.8 Ų56.856%0.56131%0.31SS*.SBendtrans-91.1-10.7-179.372.1-109.5000113.8N98 E105D96-N98 VanDerWaalsContact CG-ND2 3.33Å; D96-N98 PolarHBondContact OD1-ND2 3.38Å; D96-N98 WeakPolarHBondContact OD2-CB 3.34Å; D96-N98 PolarHBondContact OD2-ND2 3.36Å; D96-E105 PolarHBondContact N-OE1 2.94Å
97G84.8Confident85.4Confident59 Ų5961.1 Ų61.161%0.60833%0.325SS*.  trans76.324.4172.200000113D94 G99D94-G97 VanDerWaalsContact OD1-CA 3.26Å; D94-G97 WeakPolarHBondContact OD1-CA 3.46Å; D94-G97 PolarHBondContact OD1-N 2.9Å; D94-G97 VanDerWaalsContact OD2-C 3.29Å; D94-G97 VanDerWaalsContact OD2-CA 3.24Å; D94-G97 WeakPolarHBondContact OD2-CA 3.37Å; G97-G99 VanDerWaalsContact C-N 3.28Å
98N87.3Confident85.6Confident69 Ų6961 Ų6137%0.36933%0.328SS..SBendtrans-81.6-7.2-178.664.624.2000113D94 D96 Y100D94-N98 PolarHBondContact OD1-N 3.37Å; D94-N98 PolarHBondContact OD2-N 2.85Å; D96-N98 VanDerWaalsContact CG-ND2 3.33Å; D96-N98 PolarHBondContact OD1-ND2 3.38Å; D96-N98 WeakPolarHBondContact OD2-CB 3.34Å; D96-N98 PolarHBondContact OD2-ND2 3.36Å; N98-Y100 WeakPolarHBondContact O-CD2 3.31Å; N98-Y100 WeakPolarHBondContact OD1-CA 3.37Å; N98-Y100 WeakPolarHBondContact OD1-CB 3.18Å; N98-Y100 PolarHBondContact OD1-N 3.04Å; N98-Y100 PolarHBondContact OD1-O 3.2Å
99G86.6Confident85.7Confident32 Ų3254.9 Ų54.933%0.3330%0.3SS..SBendtrans87.89.1-177.400000114.8F90 D94 G97F90-G99 WeakPolarHBondContact CZ-O 3.35Å; D94-G99 WeakPolarHBondContact OD2-CA 3.16Å; D94-G99 PolarHBondContact OD2-N 2.83Å; G97-G99 VanDerWaalsContact C-N 3.28Å
100Y89.8Confident85.7Confident94 Ų9454.7 Ų54.737%0.36929%0.294SS..EExtended strand (participates in β ladder)trans-135.2139.2-178.6-61.8-95.3000110N98 Q136 N138N98-Y100 WeakPolarHBondContact O-CD2 3.31Å; N98-Y100 WeakPolarHBondContact OD1-CA 3.37Å; N98-Y100 WeakPolarHBondContact OD1-CB 3.18Å; N98-Y100 PolarHBondContact OD1-N 3.04Å; N98-Y100 PolarHBondContact OD1-O 3.2Å; Y100-Q136 HydrophobicContact CD1-CB 4.28Å; Y100-N138 HydrophobicContact CD1-CB 3.85Å; Y100-N138 HydrophobicContact CE1-CB 3.83Å
101V89Confident85.6Confident1 Ų157.5 Ų57.51%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-98.4113.1173.8179.20000108.6F90 F93 D94 E105 L106 V137F90-V101 HydrophobicContact CD2-CG2 4.05Å; F90-V101 HydrophobicContact CE2-CG2 3.6Å; F90-V101 HydrophobicContact CZ-CG2 3.92Å; F93-V101 HydrophobicContact CB-CB 4.43Å; F93-V101 HydrophobicContact CB-CG1 3.89Å; F93-V101 HydrophobicContact CB-CG2 3.6Å; D94-V101 HydrophobicContact CB-CG2 4.27Å; V101-E105 HydrophobicContact CG1-CB 4.35Å; V101-L106 HydrophobicContact CG1-CB 4.02Å; V101-L106 HydrophobicContact CG1-CD1 4.45Å; V101-V137 HydrophobicContact CB-CB 4.38Å; V101-V137 PolarHBondContact N-O 2.78Å; V101-V137 PolarHBondContact O-N 3.36Å
102S89Confident85.2Confident28 Ų2858 Ų5820%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-78.7157.6172.564.80000112.1A104 E105 L106S102-A104 PolarHBondContact O-N 3.1Å; S102-A104 VanDerWaalsContact O-N 3.16Å; S102-E105 WeakPolarHBondContact CB-OE2 3.45Å; S102-E105 PolarHBondContact N-OE2 3.47Å; S102-E105 WeakPolarHBondContact O-CB 3.42Å; S102-E105 PolarHBondContact O-N 3.44Å; S102-E105 VanDerWaalsContact OG-CG 3.28Å; S102-E105 WeakPolarHBondContact OG-CG 3.48Å; S102-E105 PolarHBondContact OG-N 3.23Å; S102-E105 PolarHBondContact OG-OE2 3.03Å; S102-L106 PolarHBondContact O-N 2.79Å
103A87Confident84.7Confident33 Ų3360.1 Ų60.127%0.27332%0.322SS..Hα-helixtrans-52.1-38.2173.200000112.7E105 R107 V122 I126A103-E105 PolarHBondContact O-N 3.45Å; A103-R107 VanDerWaalsContact O-CB 3.28Å; A103-R107 WeakPolarHBondContact O-CB 3.48Å; A103-R107 PolarHBondContact O-N 2.79Å; A103-V122 HydrophobicContact CB-CG1 3.96Å; A103-V122 WeakPolarHBondContact O-CG1 3.02Å; A103-I126 HydrophobicContact CB-CD1 4.42Å; A103-I126 HydrophobicContact CB-CG1 4.01Å
104A87Confident84.3Confident64 Ų6462.1 Ų62.153%0.52935%0.349SS..Hα-helixtrans-64.8-39.6178.400000112.5S102 H108S102-A104 PolarHBondContact O-N 3.1Å; S102-A104 VanDerWaalsContact O-N 3.16Å; A104-H108 WeakPolarHBondContact O-CB 3.48Å; A104-H108 PolarHBondContact O-N 2.97Å; A104-H108 VanDerWaalsContact O-N 3.08Å
105E88.1Confident83.7Confident17 Ų1767.2 Ų67.28%0.07937%0.372CS..Hα-helixtrans-72.3-44.6178.1-73.4171.5115.600112.1F93 K95 D96 V101 S102 A103 R107 H108 V109F93-E105 WeakPolarHBondContact O-CB 3.2Å; K95-E105 HydrophobicContact CB-CG 4.44Å; K95-E105 PolarHBondContact N-OE1 3.1Å; D96-E105 PolarHBondContact N-OE1 2.94Å; V101-E105 HydrophobicContact CG1-CB 4.35Å; S102-E105 WeakPolarHBondContact CB-OE2 3.45Å; S102-E105 PolarHBondContact N-OE2 3.47Å; S102-E105 WeakPolarHBondContact O-CB 3.42Å; S102-E105 PolarHBondContact O-N 3.44Å; S102-E105 VanDerWaalsContact OG-CG 3.28Å; S102-E105 WeakPolarHBondContact OG-CG 3.48Å; S102-E105 PolarHBondContact OG-N 3.23Å; S102-E105 PolarHBondContact OG-OE2 3.03Å; A103-E105 PolarHBondContact O-N 3.45Å; E105-R107 VanDerWaalsContact C-N 3.32Å; E105-R107 PolarHBondContact O-N 2.93Å; E105-H108 PolarHBondContact O-N 2.77Å; E105-V109 WeakPolarHBondContact O-CG2 3.09Å; E105-V109 PolarHBondContact O-N 3.49Å
106L85.3Confident83.5Confident10 Ų1070.8 Ų70.85%0.05239%0.388CS..Hα-helixtrans-54.9-50174.9-172.564.2000110.5F93 V101 S102 H108 V109 M110 V122 M125 I126F93-L106 HydrophobicContact CD1-CD1 3.69Å; F93-L106 HydrophobicContact CE1-CD1 3.66Å; V101-L106 HydrophobicContact CG1-CB 4.02Å; V101-L106 HydrophobicContact CG1-CD1 4.45Å; S102-L106 PolarHBondContact O-N 2.79Å; L106-H108 PolarHBondContact O-N 2.84Å; L106-V109 PolarHBondContact O-N 3.03Å; L106-M110 HydrophobicContact CD1-CE 4.09Å; L106-M110 WeakPolarHBondContact O-CB 3.3Å; L106-M110 VanDerWaalsContact O-CG 3.24Å; L106-M110 WeakPolarHBondContact O-CG 3.47Å; L106-M110 PolarHBondContact O-N 3Å; L106-V122 HydrophobicContact CB-CG1 4.42Å; L106-V122 HydrophobicContact CD2-CG1 4.22Å; L106-M125 HydrophobicContact CD2-CB 4.1Å; L106-I126 HydrophobicContact CD2-CD1 3.81Å; L106-I126 HydrophobicContact CD2-CG1 4.08Å
107R84.4Confident83.2Confident111 Ų11167.3 Ų67.342%0.41937%0.369SS..Hα-helixtrans-59.5-44.9176.9-179.3171.3147.7-87.21.7112.9A103 E105 V109 T111 D119 V122A103-R107 VanDerWaalsContact O-CB 3.28Å; A103-R107 WeakPolarHBondContact O-CB 3.48Å; A103-R107 PolarHBondContact O-N 2.79Å; E105-R107 VanDerWaalsContact C-N 3.32Å; E105-R107 PolarHBondContact O-N 2.93Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-V109 PolarHBondContact O-N 3.09Å; R107-T111 WeakPolarHBondContact O-CB 3.45Å; R107-T111 PolarHBondContact O-N 2.89Å; R107-T111 PolarHBondContact O-OG1 2.72Å; R107-D119 WeakPolarHBondContact CD-OD1 3.23Å; R107-D119 IonicContact NE-OD1 3.59Å; R107-D119 PolarHBondContact NE-OD1 2.77Å; R107-V122 HydrophobicContact CB-CG1 4.32Å; R107-V122 HydrophobicContact CB-CG2 3.97Å; R107-V122 HydrophobicContact CG-CG2 4.32Å
108H85.2Confident83.2Confident87 Ų8766.6 Ų66.640%0.40336%0.355SS..Hα-helixtrans-64.3-40-178.3-176.175.8000111.7A104 E105 L106 R112A104-H108 WeakPolarHBondContact O-CB 3.48Å; A104-H108 PolarHBondContact O-N 2.97Å; A104-H108 VanDerWaalsContact O-N 3.08Å; E105-H108 PolarHBondContact O-N 2.77Å; L106-H108 PolarHBondContact O-N 2.84Å; H108-R112 PolarHBondContact NE2-NE 2.83Å; H108-R112 PolarHBondContact NE2-NH2 2.98Å; H108-R112 WeakPolarHBondContact O-CG 3.35Å; H108-R112 PolarHBondContact O-N 2.79Å
109V84Confident82.9Confident5 Ų568.3 Ų68.33%0.0336%0.364CS..Hα-helixtrans-72.8-44.9178.4173.80000111.7V92 F93 E105 L106 R107 T111 R112 L113V92-V109 HydrophobicContact CG1-CG1 3.88Å; V92-V109 VanDerWaalsContact O-CG2 3.29Å; V92-V109 WeakPolarHBondContact O-CG2 3.35Å; F93-V109 HydrophobicContact CD1-CB 3.63Å; F93-V109 HydrophobicContact CD1-CG1 3.59Å; F93-V109 HydrophobicContact CD1-CG2 4.17Å; F93-V109 HydrophobicContact CE1-CB 3.72Å; F93-V109 HydrophobicContact CE1-CG1 3.35Å; F93-V109 HydrophobicContact CG-CG1 4.29Å; F93-V109 HydrophobicContact CZ-CG1 3.86Å; E105-V109 WeakPolarHBondContact O-CG2 3.09Å; E105-V109 PolarHBondContact O-N 3.49Å; L106-V109 PolarHBondContact O-N 3.03Å; R107-V109 VanDerWaalsContact C-N 3.33Å; R107-V109 PolarHBondContact O-N 3.09Å; V109-T111 VanDerWaalsContact C-N 3.28Å; V109-T111 PolarHBondContact O-N 3.45Å; V109-R112 CarbonylContact O-C 3.02Å; V109-R112 WeakPolarHBondContact O-CA 3.39Å; V109-R112 WeakPolarHBondContact O-CB 3.21Å; V109-R112 PolarHBondContact O-N 3.36Å; V109-L113 HydrophobicContact CG1-CD1 3.92Å; V109-L113 HydrophobicContact CG1-CG 4.32Å; V109-L113 WeakPolarHBondContact O-CG 2.94Å; V109-L113 PolarHBondContact O-N 2.98Å
110M80.8Confident82.9Confident27 Ų2774.1 Ų74.113%0.13338%0.382CS..Hα-helixtrans-59.1-42.1176.7-69.3-67.1-174.200111.5F93 L106 R112 L113 G114 E115 L117 M125F93-M110 HydrophobicContact CE1-CE 3.95Å; F93-M110 HydrophobicContact CE1-CG 4.44Å; F93-M110 HydrophobicContact CE1-SD 4.46Å; F93-M110 HydrophobicContact CZ-CE 3.97Å; L106-M110 HydrophobicContact CD1-CE 4.09Å; L106-M110 WeakPolarHBondContact O-CB 3.3Å; L106-M110 VanDerWaalsContact O-CG 3.24Å; L106-M110 WeakPolarHBondContact O-CG 3.47Å; L106-M110 PolarHBondContact O-N 3Å; M110-R112 VanDerWaalsContact C-N 3.28Å; M110-R112 PolarHBondContact O-N 3.15Å; M110-L113 CarbonylContact O-C 3.58Å; M110-L113 PolarHBondContact O-N 3.32Å; M110-L113 HydrophobicContact SD-CD1 4.41Å; M110-G114 PolarHBondContact O-N 3.18Å; M110-E115 CarbonylContact C-O 3.31Å; M110-E115 PolarHBondContact O-N 2.97Å; M110-L117 HydrophobicContact CB-CD1 3.76Å; M110-L117 HydrophobicContact CB-CG 4.25Å; M110-L117 HydrophobicContact CG-CD1 3.59Å; M110-L117 HydrophobicContact SD-CD1 4.34Å; M110-M125 HydrophobicContact CE-CE 3.96Å
111T81.3Confident82.6Confident72 Ų7273.8 Ų73.844%0.44238%0.384SS..Hα-helixtrans-61-36.1174.7-56.80000112.2R107 V109 G114 E115R107-T111 WeakPolarHBondContact O-CB 3.45Å; R107-T111 PolarHBondContact O-N 2.89Å; R107-T111 PolarHBondContact O-OG1 2.72Å; V109-T111 VanDerWaalsContact C-N 3.28Å; V109-T111 PolarHBondContact O-N 3.45Å; T111-G114 PolarHBondContact O-N 2.91Å; T111-E115 WeakPolarHBondContact CA-O 3.28Å; T111-E115 PolarHBondContact N-O 2.81Å
112R76Confident82.4Confident182 Ų18273.9 Ų73.969%0.68739%0.385SS*.Hα-helixtrans-72.7-31.2175-77.6-173.6-178.5-136.80.9113.2H108 V109 M110 G114H108-R112 PolarHBondContact NE2-NE 2.83Å; H108-R112 PolarHBondContact NE2-NH2 2.98Å; H108-R112 WeakPolarHBondContact O-CG 3.35Å; H108-R112 PolarHBondContact O-N 2.79Å; V109-R112 CarbonylContact O-C 3.02Å; V109-R112 WeakPolarHBondContact O-CA 3.39Å; V109-R112 WeakPolarHBondContact O-CB 3.21Å; V109-R112 PolarHBondContact O-N 3.36Å; M110-R112 VanDerWaalsContact C-N 3.28Å; M110-R112 PolarHBondContact O-N 3.15Å; R112-G114 PolarHBondContact O-N 2.89Å
113L74.6Confident82.2Confident119 Ų11977.3 Ų77.362%0.62340%0.401SS*.Hα-helixtrans-75-5.2174.6-67.8171.6000112.6F93 V109 M110F93-L113 HydrophobicContact CZ-CD1 4.41Å; V109-L113 HydrophobicContact CG1-CD1 3.92Å; V109-L113 HydrophobicContact CG1-CG 4.32Å; V109-L113 WeakPolarHBondContact O-CG 2.94Å; V109-L113 PolarHBondContact O-N 2.98Å; M110-L113 CarbonylContact O-C 3.58Å; M110-L113 PolarHBondContact O-N 3.32Å; M110-L113 HydrophobicContact SD-CD1 4.41Å
114G75.4Confident82.2Confident63 Ų6382.3 Ų82.365%0.64942%0.419SS*.THydrogen-bonded Turntrans95.2-2.3176.900000113.8M110 T111 R112M110-G114 PolarHBondContact O-N 3.18Å; T111-G114 PolarHBondContact O-N 2.91Å; R112-G114 PolarHBondContact O-N 2.89Å
115E75.4Confident82Confident124 Ų12481.7 Ų81.758%0.57941%0.405SS*.  trans-91.4114.6174.1-65.1-138.3106.600109.9M110 T111 L117M110-E115 CarbonylContact C-O 3.31Å; M110-E115 PolarHBondContact O-N 2.97Å; T111-E115 WeakPolarHBondContact CA-O 3.28Å; T111-E115 PolarHBondContact N-O 2.81Å; E115-L117 PolarHBondContact O-N 3.43Å
116K76.4Confident81.9Confident184 Ų18481.3 Ų81.380%0.840%0.404SS*.  trans-9093.2173.5-73.8-176.4178177.70108.7
117L79.1Confident81.9Confident32 Ų3288.1 Ų88.117%0.16844%0.435CS..  trans-80.5139.5168.3-58.8174000109.6M110 E115 E121 V122 M125M110-L117 HydrophobicContact CB-CD1 3.76Å; M110-L117 HydrophobicContact CB-CG 4.25Å; M110-L117 HydrophobicContact CG-CD1 3.59Å; M110-L117 HydrophobicContact SD-CD1 4.34Å; E115-L117 PolarHBondContact O-N 3.43Å; L117-E121 HydrophobicContact CB-CB 4.23Å; L117-E121 HydrophobicContact CD2-CB 4.25Å; L117-V122 HydrophobicContact CB-CG2 3.71Å; L117-V122 HydrophobicContact CD1-CG2 4.15Å; L117-M125 HydrophobicContact CD1-SD 3.68Å
118S84.8Confident81.9Confident45 Ų4586.9 Ų86.932%0.31545%0.449SS..  trans-71160.5166.155.80000110.8E120 E121 V122S118-E120 PolarHBondContact O-N 3.5Å; S118-E121 WeakPolarHBondContact CB-OE2 3.21Å; S118-E121 PolarHBondContact N-OE2 3.29Å; S118-E121 PolarHBondContact O-N 3.17Å; S118-E121 VanDerWaalsContact OG-CG 3.28Å; S118-E121 WeakPolarHBondContact OG-CG 3.36Å; S118-E121 PolarHBondContact OG-N 3Å; S118-E121 PolarHBondContact OG-OE2 2.7Å; S118-V122 WeakPolarHBondContact O-CG2 3.45Å; S118-V122 PolarHBondContact O-N 3.42Å; S118-V122 VanDerWaalsContact O-N 3.11Å
119D81.9Confident81.8Confident104 Ų10483 Ų8356%0.55643%0.431SS*.Hα-helixtrans-58.4-36.6177-61.6-59.9000110.6R107 V122 D123R107-D119 WeakPolarHBondContact CD-OD1 3.23Å; R107-D119 IonicContact NE-OD1 3.59Å; R107-D119 PolarHBondContact NE-OD1 2.77Å; D119-V122 PolarHBondContact O-N 3.15Å; D119-D123 PolarHBondContact O-N 3.05Å
120E86.3Confident82Confident154 Ų15484.1 Ų84.172%0.7244%0.437SS*.Hα-helixtrans-61.7-44.4175.8-65.2159.811800112.6S118 V122 D123 E124S118-E120 PolarHBondContact O-N 3.5Å; E120-V122 VanDerWaalsContact C-N 3.33Å; E120-V122 PolarHBondContact O-N 2.66Å; E120-D123 PolarHBondContact O-N 3.48Å; E120-E124 WeakPolarHBondContact O-CG 3.35Å; E120-E124 PolarHBondContact O-N 3.02Å
121E84.6Confident82.3Confident87 Ų8788.3 Ų88.341%0.40747%0.465SS..Hα-helixtrans-66.9-35.5177.6-74.2167.7116.700112.1L117 S118 E124 M125L117-E121 HydrophobicContact CB-CB 4.23Å; L117-E121 HydrophobicContact CD2-CB 4.25Å; S118-E121 WeakPolarHBondContact CB-OE2 3.21Å; S118-E121 PolarHBondContact N-OE2 3.29Å; S118-E121 PolarHBondContact O-N 3.17Å; S118-E121 VanDerWaalsContact OG-CG 3.28Å; S118-E121 WeakPolarHBondContact OG-CG 3.36Å; S118-E121 PolarHBondContact OG-N 3Å; S118-E121 PolarHBondContact OG-OE2 2.7Å; E121-E124 PolarHBondContact O-N 3.4Å; E121-M125 VanDerWaalsContact O-CG 3.27Å; E121-M125 WeakPolarHBondContact O-CG 3.49Å; E121-M125 PolarHBondContact O-N 3.21Å
122V84.2Confident82.5Confident3 Ų389.3 Ų89.32%0.01847%0.467CS..Hα-helixtrans-68.6-44.2176.71750000110.3A103 L106 R107 L117 S118 D119 E120 E124 M125 I126A103-V122 HydrophobicContact CB-CG1 3.96Å; A103-V122 WeakPolarHBondContact O-CG1 3.02Å; L106-V122 HydrophobicContact CB-CG1 4.42Å; L106-V122 HydrophobicContact CD2-CG1 4.22Å; R107-V122 HydrophobicContact CB-CG1 4.32Å; R107-V122 HydrophobicContact CB-CG2 3.97Å; R107-V122 HydrophobicContact CG-CG2 4.32Å; L117-V122 HydrophobicContact CB-CG2 3.71Å; L117-V122 HydrophobicContact CD1-CG2 4.15Å; S118-V122 WeakPolarHBondContact O-CG2 3.45Å; S118-V122 PolarHBondContact O-N 3.42Å; S118-V122 VanDerWaalsContact O-N 3.11Å; D119-V122 PolarHBondContact O-N 3.15Å; E120-V122 VanDerWaalsContact C-N 3.33Å; E120-V122 PolarHBondContact O-N 2.66Å; V122-E124 VanDerWaalsContact C-N 3.34Å; V122-E124 PolarHBondContact O-N 2.76Å; V122-M125 PolarHBondContact O-N 3.48Å; V122-I126 HydrophobicContact CG1-CG1 4.44Å; V122-I126 VanDerWaalsContact O-CG1 3.31Å; V122-I126 WeakPolarHBondContact O-CG1 3.31Å; V122-I126 PolarHBondContact O-N 2.9Å
123D84.8Confident83Confident101 Ų10183.5 Ų83.554%0.5446%0.464SS..Hα-helixtrans-59.7-43.1174.4-92.3-75.6000111.4D119 E120 M125 I126 Q127D119-D123 PolarHBondContact O-N 3.05Å; E120-D123 PolarHBondContact O-N 3.48Å; D123-M125 VanDerWaalsContact C-N 3.34Å; D123-M125 PolarHBondContact O-N 2.97Å; D123-I126 PolarHBondContact O-N 3.36Å; D123-Q127 VanDerWaalsContact O-CB 3.26Å; D123-Q127 WeakPolarHBondContact O-CB 3.41Å; D123-Q127 PolarHBondContact O-N 2.85Å
124E86.1Confident83.6Confident138 Ų13881.2 Ų81.265%0.64545%0.452SS*.Hα-helixtrans-63.4-38.3175.3-74-163.1113.100112.5E120 E121 V122 A128E120-E124 WeakPolarHBondContact O-CG 3.35Å; E120-E124 PolarHBondContact O-N 3.02Å; E121-E124 PolarHBondContact O-N 3.4Å; V122-E124 VanDerWaalsContact C-N 3.34Å; V122-E124 PolarHBondContact O-N 2.76Å; E124-A128 VanDerWaalsContact O-CB 3.26Å; E124-A128 WeakPolarHBondContact O-CB 3.25Å; E124-A128 PolarHBondContact O-N 2.79Å
125M83.3Confident84.1Confident50 Ų5080.2 Ų80.225%0.24644%0.442CS..Hα-helixtrans-67.6-42.6176.6-74.5-177.474.800112.5L106 M110 L117 E121 V122 D123 A128 A129 M145L106-M125 HydrophobicContact CD2-CB 4.1Å; M110-M125 HydrophobicContact CE-CE 3.96Å; L117-M125 HydrophobicContact CD1-SD 3.68Å; E121-M125 VanDerWaalsContact O-CG 3.27Å; E121-M125 WeakPolarHBondContact O-CG 3.49Å; E121-M125 PolarHBondContact O-N 3.21Å; V122-M125 PolarHBondContact O-N 3.48Å; D123-M125 VanDerWaalsContact C-N 3.34Å; D123-M125 PolarHBondContact O-N 2.97Å; M125-A128 PolarHBondContact O-N 3.2Å; M125-A129 PolarHBondContact O-N 2.94Å; M125-M145 HydrophobicContact CB-CE 4.25Å; M125-M145 HydrophobicContact CE-CE 3.52Å; M125-M145 HydrophobicContact CG-CE 4.43Å
126I86Confident84.7Confident9 Ų977.4 Ų77.45%0.04643%0.429CS..Hα-helixtrans-62.8-51.3175.3-65.7-73.1000108.7A103 L106 V122 D123 A128 A129 D130 V137A103-I126 HydrophobicContact CB-CD1 4.42Å; A103-I126 HydrophobicContact CB-CG1 4.01Å; L106-I126 HydrophobicContact CD2-CD1 3.81Å; L106-I126 HydrophobicContact CD2-CG1 4.08Å; V122-I126 HydrophobicContact CG1-CG1 4.44Å; V122-I126 VanDerWaalsContact O-CG1 3.31Å; V122-I126 WeakPolarHBondContact O-CG1 3.31Å; V122-I126 PolarHBondContact O-N 2.9Å; D123-I126 PolarHBondContact O-N 3.36Å; I126-A128 PolarHBondContact O-N 3.46Å; I126-A129 PolarHBondContact O-N 3.42Å; I126-D130 HydrophobicContact CG2-CB 4.3Å; I126-D130 WeakPolarHBondContact O-CB 3.35Å; I126-D130 PolarHBondContact O-N 3.23Å; I126-V137 HydrophobicContact CD1-CG2 3.64Å; I126-V137 HydrophobicContact CG2-CG2 4.41Å
127Q86.3Confident85.4Confident154 Ų15468.9 Ų68.972%0.7239%0.393SS*.Hα-helixtrans-61.6-28.9-178.9-171179.5-9.400113.3D123D123-Q127 VanDerWaalsContact O-CB 3.26Å; D123-Q127 WeakPolarHBondContact O-CB 3.41Å; D123-Q127 PolarHBondContact O-N 2.85Å
128A83.3Confident85.9Confident84 Ų8468.6 Ų68.669%0.69439%0.391SS*.Hα-helixtrans-75.9-26.6175.900000113.4E124 M125 I126E124-A128 VanDerWaalsContact O-CB 3.26Å; E124-A128 WeakPolarHBondContact O-CB 3.25Å; E124-A128 PolarHBondContact O-N 2.79Å; M125-A128 PolarHBondContact O-N 3.2Å; I126-A128 PolarHBondContact O-N 3.46Å
129A84.3Confident85.9Confident5 Ų569.6 Ų69.64%0.04139%0.389CS..Hα-helixtrans-96.1-37.3-179.400000112.6M125 I126 T131 V137 E141 M145M125-A129 PolarHBondContact O-N 2.94Å; I126-A129 PolarHBondContact O-N 3.42Å; A129-T131 PolarHBondContact O-N 2.78Å; A129-T131 PolarHBondContact O-OG1 2.83Å; A129-T131 VanDerWaalsContact O-OG1 3.12Å; A129-V137 HydrophobicContact CB-CG1 4.04Å; A129-V137 HydrophobicContact CB-CG2 3.82Å; A129-E141 WeakPolarHBondContact O-CB 3.49Å; A129-M145 HydrophobicContact CB-CB 4.24Å; A129-M145 HydrophobicContact CB-CG 4.27Å; A129-M145 HydrophobicContact CB-SD 4.13Å
130D87.8Confident86.1Confident29 Ų2972.2 Ų72.216%0.15540%0.397CS..  trans-65.499.1178.8179.79.8000110.3I126 D132 G133 D134 G135I126-D130 HydrophobicContact CG2-CB 4.3Å; I126-D130 WeakPolarHBondContact O-CB 3.35Å; I126-D130 PolarHBondContact O-N 3.23Å; D130-D132 PolarHBondContact OD1-N 3.1Å; D130-G133 WeakPolarHBondContact OD1-CA 3.48Å; D130-G133 PolarHBondContact OD1-N 2.94Å; D130-G133 WeakPolarHBondContact OD2-CA 3.4Å; D130-D134 PolarHBondContact OD1-N 3.48Å; D130-D134 PolarHBondContact OD2-N 3.39Å; D130-G135 VanDerWaalsContact OD2-CA 3.31Å; D130-G135 WeakPolarHBondContact OD2-CA 3.43Å; D130-G135 PolarHBondContact OD2-N 3.5Å
131T85.9Confident86.1Confident115 Ų11565.4 Ų65.471%0.70637%0.366SS*.SBendtrans-95.3-27.9-177.7-540000110.9A129 E141A129-T131 PolarHBondContact O-N 2.78Å; A129-T131 PolarHBondContact O-OG1 2.83Å; A129-T131 VanDerWaalsContact O-OG1 3.12Å; T131-E141 PolarHBondContact N-OE1 3.02Å
132D86Confident86.1Confident94 Ų9461.8 Ų61.850%0.50335%0.348SS..SBendtrans-89.3-12.8-18071.323.3000114D130 D134 N138 E141D130-D132 PolarHBondContact OD1-N 3.1Å; D132-D134 VanDerWaalsContact OD1-CB 3.26Å; D132-D134 WeakPolarHBondContact OD1-CB 3.45Å; D132-D134 PolarHBondContact OD1-N 3.31Å; D132-N138 PolarHBondContact OD2-ND2 3.3Å; D132-E141 PolarHBondContact N-OE1 2.84Å; D132-E141 VanDerWaalsContact N-OE1 3.17Å
133G86.8Confident86Confident60 Ų6063.5 Ų63.562%0.61936%0.359SS*.  trans77.822.1175.500000113.8D130 G135D130-G133 WeakPolarHBondContact OD1-CA 3.48Å; D130-G133 PolarHBondContact OD1-N 2.94Å; D130-G133 WeakPolarHBondContact OD2-CA 3.4Å; G133-G135 VanDerWaalsContact C-N 3.27Å
134D86.8Confident85.7Confident70 Ų7064.4 Ų64.437%0.37436%0.36SS..SBendtrans-80.3-7.2179.983.2-3.5000113.7D130 D132 Q136D130-D134 PolarHBondContact OD1-N 3.48Å; D130-D134 PolarHBondContact OD2-N 3.39Å; D132-D134 VanDerWaalsContact OD1-CB 3.26Å; D132-D134 WeakPolarHBondContact OD1-CB 3.45Å; D132-D134 PolarHBondContact OD1-N 3.31Å; D134-Q136 VanDerWaalsContact C-N 3.27Å; D134-Q136 VanDerWaalsContact OD1-CA 3.31Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.41Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.45Å; D134-Q136 PolarHBondContact OD1-N 2.98Å; D134-Q136 VanDerWaalsContact OD1-O 3.1Å
135G85.7Confident85.3Confident42 Ų4260.9 Ų60.943%0.43334%0.344SS..SBendtrans7712.2-179.600000113.8D130 G133D130-G135 VanDerWaalsContact OD2-CA 3.31Å; D130-G135 WeakPolarHBondContact OD2-CA 3.43Å; D130-G135 PolarHBondContact OD2-N 3.5Å; G133-G135 VanDerWaalsContact C-N 3.27Å
136Q88.7Confident84.8Confident65 Ų6562.3 Ų62.330%0.30435%0.352SS..EExtended strand (participates in β ladder)trans-128.6172.6174.4-51-169.3-106.700108.7Y100 D134Y100-Q136 HydrophobicContact CD1-CB 4.28Å; D134-Q136 VanDerWaalsContact C-N 3.27Å; D134-Q136 VanDerWaalsContact OD1-CA 3.31Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.41Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.45Å; D134-Q136 PolarHBondContact OD1-N 2.98Å; D134-Q136 VanDerWaalsContact OD1-O 3.1Å
137V89.9Confident83.9Confident6 Ų666.7 Ų66.74%0.03638%0.379CS..EExtended strand (participates in β ladder)trans-120.2111.7177179.90000108.5V101 I126 A129 E141 F142V101-V137 HydrophobicContact CB-CB 4.38Å; V101-V137 PolarHBondContact N-O 2.78Å; V101-V137 PolarHBondContact O-N 3.36Å; I126-V137 HydrophobicContact CD1-CG2 3.64Å; I126-V137 HydrophobicContact CG2-CG2 4.41Å; A129-V137 HydrophobicContact CB-CG1 4.04Å; A129-V137 HydrophobicContact CB-CG2 3.82Å; V137-E141 WeakPolarHBondContact CA-OE2 3.49Å; V137-E141 HydrophobicContact CG1-CB 3.78Å; V137-F142 HydrophobicContact CG1-CB 3.92Å; V137-F142 HydrophobicContact CG1-CD2 4.41Å
138N90.3Very high82.6Confident25 Ų2563.1 Ų63.113%0.13437%0.371CS..EExtended strand (participates in β ladder)trans-78173.3175.771.951.5000111.4Y100 D132 E140 E141 F142Y100-N138 HydrophobicContact CD1-CB 3.85Å; Y100-N138 HydrophobicContact CE1-CB 3.83Å; D132-N138 PolarHBondContact OD2-ND2 3.3Å; N138-E140 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 2.94Å; N138-E140 WeakPolarHBondContact OD1-CB 3.3Å; N138-E140 PolarHBondContact OD1-N 3.44Å; N138-E141 PolarHBondContact N-OE2 2.92Å; N138-E141 PolarHBondContact ND2-OE2 2.92Å; N138-E141 PolarHBondContact O-N 3.48Å; N138-E141 WeakPolarHBondContact OD1-CG 3.21Å; N138-E141 PolarHBondContact OD1-N 3.18Å; N138-F142 WeakPolarHBondContact O-CB 3.35Å; N138-F142 PolarHBondContact O-N 2.87Å
139Y85.4Confident80.8Confident67 Ų6771 Ų7126%0.26339%0.39SS..Hα-helixtrans-59.2-40.7-178.1178.8-106.1000113.3I86 R87 F90 F142 V143I86-Y139 HydrophobicContact CG2-CE2 4.41Å; R87-Y139 HydrophobicContact CB-CE2 4.19Å; R87-Y139 HydrophobicContact CG-CE2 4.41Å; F90-Y139 HydrophobicContact CB-CD2 4.2Å; F90-Y139 HydrophobicContact CB-CE2 4.49Å; F90-Y139 HydrophobicContact CD1-CD2 4.21Å; F90-Y139 HydrophobicContact CD2-CD2 4.17Å; F90-Y139 AromaticContact CG-CD2 3.92Å; F90-Y139 HydrophobicContact CG-CD2 3.92Å; Y139-F142 PolarHBondContact O-N 3.41Å; Y139-V143 HydrophobicContact CD1-CG2 4.26Å; Y139-V143 HydrophobicContact CD2-CG2 4.36Å; Y139-V143 HydrophobicContact CE1-CG2 3.92Å; Y139-V143 HydrophobicContact CE2-CG2 4Å; Y139-V143 HydrophobicContact CG-CG2 4.5Å; Y139-V143 WeakPolarHBondContact O-CG2 3.35Å; Y139-V143 PolarHBondContact O-N 3.34Å
140E84.8Confident80.6Confident159 Ų15974.3 Ų74.374%0.74341%0.407SS*.Hα-helixtrans-68.1-40.6-178.8-62.5-170.995.600111.2N138 V143 H144N138-E140 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 2.94Å; N138-E140 WeakPolarHBondContact OD1-CB 3.3Å; N138-E140 PolarHBondContact OD1-N 3.44Å; E140-V143 PolarHBondContact O-N 3.1Å; E140-H144 WeakPolarHBondContact O-CB 3.35Å; E140-H144 PolarHBondContact O-N 2.79Å
141E87.9Confident80.2Confident11 Ų1176.7 Ų76.75%0.05142%0.42CS..Hα-helixtrans-65.5-40.7175.5-69.2171.7145.600111.9A129 T131 D132 V137 N138 H144 M145A129-E141 WeakPolarHBondContact O-CB 3.49Å; T131-E141 PolarHBondContact N-OE1 3.02Å; D132-E141 PolarHBondContact N-OE1 2.84Å; D132-E141 VanDerWaalsContact N-OE1 3.17Å; V137-E141 WeakPolarHBondContact CA-OE2 3.49Å; V137-E141 HydrophobicContact CG1-CB 3.78Å; N138-E141 PolarHBondContact N-OE2 2.92Å; N138-E141 PolarHBondContact ND2-OE2 2.92Å; N138-E141 PolarHBondContact O-N 3.48Å; N138-E141 WeakPolarHBondContact OD1-CG 3.21Å; N138-E141 PolarHBondContact OD1-N 3.18Å; E141-H144 PolarHBondContact O-N 2.93Å; E141-M145 WeakPolarHBondContact O-CB 3.38Å; E141-M145 PolarHBondContact O-N 3.06Å
142F83.7Confident79.9Confident10 Ų1074.6 Ų74.64%0.04440%0.404CS..Hα-helixtrans-64.8-42.3176.1-170.9-98.9000112.1I86 A89 F90 F93 V137 N138 Y139 M145 L146I86-F142 HydrophobicContact CG2-CD1 3.99Å; I86-F142 HydrophobicContact CG2-CE1 4.21Å; A89-F142 HydrophobicContact CB-CE1 4.23Å; A89-F142 HydrophobicContact CB-CZ 4.44Å; F90-F142 HydrophobicContact CB-CD1 4.14Å; F90-F142 HydrophobicContact CB-CE1 4.17Å; F90-F142 HydrophobicContact CD2-CB 3.66Å; F90-F142 AromaticContact CD2-CD1 3.66Å; F90-F142 HydrophobicContact CD2-CD1 3.66Å; F90-F142 HydrophobicContact CD2-CD2 4.17Å; F90-F142 HydrophobicContact CD2-CE1 4.29Å; F90-F142 AromaticContact CD2-CG 3.57Å; F90-F142 HydrophobicContact CD2-CG 3.57Å; F90-F142 HydrophobicContact CE2-CB 3.82Å; F90-F142 HydrophobicContact CE2-CG 4.14Å; F90-F142 HydrophobicContact CG-CD1 4.41Å; F93-F142 AromaticContact CD2-CE2 3.72Å; F93-F142 HydrophobicContact CD2-CE2 3.72Å; F93-F142 AromaticContact CD2-CZ 3.46Å; F93-F142 HydrophobicContact CD2-CZ 3.46Å; F93-F142 VanDerWaalsContact CD2-CZ 3.46Å; F93-F142 HydrophobicContact CE2-CE2 4.04Å; F93-F142 AromaticContact CE2-CZ 3.65Å; F93-F142 HydrophobicContact CE2-CZ 3.65Å; F93-F142 HydrophobicContact CG-CE2 4.27Å; F93-F142 HydrophobicContact CG-CZ 4.41Å; V137-F142 HydrophobicContact CG1-CB 3.92Å; V137-F142 HydrophobicContact CG1-CD2 4.41Å; N138-F142 WeakPolarHBondContact O-CB 3.35Å; N138-F142 PolarHBondContact O-N 2.87Å; Y139-F142 PolarHBondContact O-N 3.41Å; F142-M145 PolarHBondContact O-N 3.37Å; F142-L146 HydrophobicContact CD1-CD1 3.79Å; F142-L146 HydrophobicContact CD1-CG 4.5Å; F142-L146 HydrophobicContact CE1-CD1 3.3Å; F142-L146 HydrophobicContact CE1-CG 4.23Å; F142-L146 HydrophobicContact CZ-CD1 3.83Å; F142-L146 HydrophobicContact CZ-CG 4.49Å; F142-L146 PolarHBondContact O-N 3.24Å; F142-L146 VanDerWaalsContact O-N 3.08Å
143V82.1Confident79.5Confident39 Ų3973.4 Ų73.424%0.23640%0.399CS..Hα-helixtrans-61.1-48.2173.1172.30000109.7I86 Y139 E140 M145 L146 V147I86-V143 HydrophobicContact CG2-CB 4.48Å; I86-V143 HydrophobicContact CG2-CG2 3.62Å; Y139-V143 HydrophobicContact CD1-CG2 4.26Å; Y139-V143 HydrophobicContact CD2-CG2 4.36Å; Y139-V143 HydrophobicContact CE1-CG2 3.92Å; Y139-V143 HydrophobicContact CE2-CG2 4Å; Y139-V143 HydrophobicContact CG-CG2 4.5Å; Y139-V143 WeakPolarHBondContact O-CG2 3.35Å; Y139-V143 PolarHBondContact O-N 3.34Å; E140-V143 PolarHBondContact O-N 3.1Å; V143-M145 VanDerWaalsContact C-N 3.29Å; V143-M145 PolarHBondContact O-N 3.48Å; V143-L146 PolarHBondContact O-N 2.82Å; V143-L146 VanDerWaalsContact O-N 3.16Å; V143-V147 HydrophobicContact CG1-CG2 3.96Å; V143-V147 WeakPolarHBondContact O-CB 3.33Å; V143-V147 VanDerWaalsContact O-CG2 3.23Å; V143-V147 WeakPolarHBondContact O-CG2 3.15Å; V143-V147 PolarHBondContact O-N 3Å
144H78.8Confident79.1Confident121 Ų12174.3 Ų74.356%0.5639%0.385SS*.Hα-helixtrans-60.8-38.3179.9-168.4-90.8000112.2E140 E141 S148E140-H144 WeakPolarHBondContact O-CB 3.35Å; E140-H144 PolarHBondContact O-N 2.79Å; E141-H144 PolarHBondContact O-N 2.93Å; H144-S148 PolarHBondContact CE1-OG 3.1Å; H144-S148 VanDerWaalsContact CE1-OG 3.26Å; H144-S148 PolarHBondContact ND1-OG 2.73Å; H144-S148 WeakPolarHBondContact O-CB 3.39Å; H144-S148 PolarHBondContact O-N 3.45Å; H144-S148 PolarHBondContact O-OG 3Å
145M77.4Confident78.6Confident64 Ų6474.5 Ų74.532%0.31539%0.386SS..Hα-helixtrans-62.6-43.2174.6-171.4-162.6-166.400112.4M125 A129 E141 F142 V143M125-M145 HydrophobicContact CB-CE 4.25Å; M125-M145 HydrophobicContact CE-CE 3.52Å; M125-M145 HydrophobicContact CG-CE 4.43Å; A129-M145 HydrophobicContact CB-CB 4.24Å; A129-M145 HydrophobicContact CB-CG 4.27Å; A129-M145 HydrophobicContact CB-SD 4.13Å; E141-M145 WeakPolarHBondContact O-CB 3.38Å; E141-M145 PolarHBondContact O-N 3.06Å; F142-M145 PolarHBondContact O-N 3.37Å; V143-M145 VanDerWaalsContact C-N 3.29Å; V143-M145 PolarHBondContact O-N 3.48Å
146L73Confident78Confident79 Ų7976.9 Ų76.941%0.41438%0.382SS..Hα-helixtrans-75.9-33.8-179.2-72.7177.9000113I86 F142 V143I86-L146 HydrophobicContact CB-CD1 4.41Å; I86-L146 HydrophobicContact CG1-CD1 3.88Å; I86-L146 HydrophobicContact CG2-CD1 3.97Å; F142-L146 HydrophobicContact CD1-CD1 3.79Å; F142-L146 HydrophobicContact CD1-CG 4.5Å; F142-L146 HydrophobicContact CE1-CD1 3.3Å; F142-L146 HydrophobicContact CE1-CG 4.23Å; F142-L146 HydrophobicContact CZ-CD1 3.83Å; F142-L146 HydrophobicContact CZ-CG 4.49Å; F142-L146 PolarHBondContact O-N 3.24Å; F142-L146 VanDerWaalsContact O-N 3.08Å; V143-L146 PolarHBondContact O-N 2.82Å; V143-L146 VanDerWaalsContact O-N 3.16Å
147V67.6Low77.2Confident101 Ų10177.8 Ų77.861%0.61239%0.388SS*.Hα-helixtrans-81.9-29.2-178.6176.10000112.1I86 V143 K149I86-V147 HydrophobicContact CD1-CG2 4.32Å; V143-V147 HydrophobicContact CG1-CG2 3.96Å; V143-V147 WeakPolarHBondContact O-CB 3.33Å; V143-V147 VanDerWaalsContact O-CG2 3.23Å; V143-V147 WeakPolarHBondContact O-CG2 3.15Å; V143-V147 PolarHBondContact O-N 3Å; V147-K149 PolarHBondContact O-N 3.25Å
148S59.5Low76.2Confident79 Ų7983.8 Ų83.855%0.55242%0.418SS*.  trans-76.225.6180-62.60000114.6H144H144-S148 PolarHBondContact CE1-OG 3.1Å; H144-S148 VanDerWaalsContact CE1-OG 3.26Å; H144-S148 PolarHBondContact ND1-OG 2.73Å; H144-S148 WeakPolarHBondContact O-CB 3.39Å; H144-S148 PolarHBondContact O-N 3.45Å; H144-S148 PolarHBondContact O-OG 3Å
149K43.6Very low74.9Confident250 Ų25089.1 Ų89.1100%1.08744%0.443SS*.  trans-101.30-175.1-153.1172.5-173.41710113.7V147V147-K149 PolarHBondContact O-N 3.25Å

Retrieved 149 of 149 residues in 32.2 ms (Link to these results)

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