E9LZR8_SCHMA Loading...

Calmodulin 2

AlphaFold DB , UniProt , Accession E9LZR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, 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
1M47.3Very low68Low138 Ų138100.2 Ų100.268%0.6853%0.526SS*.  0-43.80-84.2-179.1178.100110.6D3 Q4 T71M1-D3 PolarHBondContact N-OD2 2.93Å; M1-D3 PolarHBondContact O-N 2.77Å; M1-D3 VanDerWaalsContact O-N 3.12Å; M1-Q4 PolarHBondContact O-N 3.36Å; M1-T71 HydrophobicContact SD-CG2 4.25Å
2A48.7Very low69.2Low48 Ų48102.2 Ų102.240%0.39753%0.53SS..G310 helixtrans-53.7-23.616300000113.4Q4 L5 L70A2-Q4 PolarHBondContact O-N 2.95Å; A2-L5 PolarHBondContact O-N 3.12Å; A2-L70 HydrophobicContact CB-CD1 4.23Å
3D51.4Low70.4Confident151 Ų15195.2 Ų95.281%0.80749%0.493SS*.G310 helixtrans-68.7-7.6180-41.3-80.8000115.3M1M1-D3 PolarHBondContact N-OD2 2.93Å; M1-D3 PolarHBondContact O-N 2.77Å; M1-D3 VanDerWaalsContact O-N 3.12Å
4Q58.6Low71.5Confident173 Ų17398.1 Ų98.181%0.80850%0.501SS*.G310 helixtrans-98.9-8.7177.7-69.4-174.1-11.800113.5M1 A2M1-Q4 PolarHBondContact O-N 3.36Å; A2-Q4 PolarHBondContact O-N 2.95Å
5L68.3Low72.5Confident26 Ų26100.9 Ų100.914%0.13651%0.511CS..SBendtrans-91.8138.9-178.9-62.8173.8000110A2 Q9 I10 F13 L70A2-L5 PolarHBondContact O-N 3.12Å; L5-Q9 HydrophobicContact CB-CB 4.2Å; L5-Q9 HydrophobicContact CD2-CB 4.29Å; L5-I10 HydrophobicContact CB-CD1 4.25Å; L5-I10 HydrophobicContact CB-CG1 3.74Å; L5-I10 HydrophobicContact CD1-CG1 4.46Å; L5-F13 HydrophobicContact CD1-CD2 3.83Å; L5-F13 HydrophobicContact CD1-CE2 3.68Å; L5-F13 HydrophobicContact CD2-CE2 3.9Å; L5-F13 HydrophobicContact CG-CE2 4.4Å; L5-L70 HydrophobicContact CD1-CD2 3.92Å
6T76.5Confident73.4Confident72 Ų7296.3 Ų96.344%0.44249%0.492SS..  trans-68.4158.717268.40000110.3E8 Q9 I10T6-E8 PolarHBondContact O-N 2.69Å; T6-Q9 PolarHBondContact O-N 2.89Å; T6-Q9 VanDerWaalsContact O-N 3.13Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.37Å; T6-Q9 PolarHBondContact OG1-N 3.15Å; T6-Q9 VanDerWaalsContact OG1-N 3.12Å; T6-I10 WeakPolarHBondContact O-CG1 3.18Å; T6-I10 PolarHBondContact O-N 2.88Å
7E80Confident74.3Confident178 Ų17891.3 Ų91.383%0.83247%0.467SS*.Hα-helixtrans-56.9-32.1174-66.6-172.9144.400111.9A11E7-A11 WeakPolarHBondContact O-CB 3.38Å; E7-A11 PolarHBondContact O-N 3.29Å
8E77.7Confident75.1Confident155 Ų15590.1 Ų90.172%0.72447%0.468SS*.Hα-helixtrans-66.5-48.5174.9-65178.9158.200111.5T6 I10 A11 E12T6-E8 PolarHBondContact O-N 2.69Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 2.85Å; E8-A11 WeakPolarHBondContact O-CB 3.37Å; E8-A11 PolarHBondContact O-N 2.93Å; E8-A11 VanDerWaalsContact O-N 3.15Å; E8-E12 PolarHBondContact O-N 2.86Å
9Q73.5Confident75.8Confident58 Ų5890.9 Ų90.927%0.27147%0.472SS..Hα-helixtrans-61.7-41.2175.9-72.9173.6-45.200111.9L5 T6 A11 E12 F13L5-Q9 HydrophobicContact CB-CB 4.2Å; L5-Q9 HydrophobicContact CD2-CB 4.29Å; T6-Q9 PolarHBondContact O-N 2.89Å; T6-Q9 VanDerWaalsContact O-N 3.13Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.37Å; T6-Q9 PolarHBondContact OG1-N 3.15Å; T6-Q9 VanDerWaalsContact OG1-N 3.12Å; Q9-A11 VanDerWaalsContact C-N 3.29Å; Q9-A11 PolarHBondContact O-N 2.89Å; Q9-E12 PolarHBondContact O-N 2.8Å; Q9-F13 HydrophobicContact CB-CE2 4.36Å; Q9-F13 WeakPolarHBondContact O-CD2 3.15Å; Q9-F13 WeakPolarHBondContact O-CG 3.47Å; Q9-F13 PolarHBondContact O-N 3.12Å
10I81.7Confident76.4Confident52 Ų5288.4 Ų88.427%0.26746%0.458SS..Hα-helixtrans-62.3-39.6176.3-66.3169.2000110.6L5 T6 E8 F13 K14 F66L5-I10 HydrophobicContact CB-CD1 4.25Å; L5-I10 HydrophobicContact CB-CG1 3.74Å; L5-I10 HydrophobicContact CD1-CG1 4.46Å; T6-I10 WeakPolarHBondContact O-CG1 3.18Å; T6-I10 PolarHBondContact O-N 2.88Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 2.85Å; I10-F13 PolarHBondContact O-N 3.05Å; I10-K14 WeakPolarHBondContact O-CB 3.37Å; I10-K14 PolarHBondContact O-N 3.45Å; I10-F66 HydrophobicContact CG2-CE1 4.3Å; I10-F66 HydrophobicContact CG2-CZ 4.2Å
11A84.2Confident77.1Confident51 Ų5185 Ų8542%0.42144%0.44SS..Hα-helixtrans-64.4-45.5176.800000111.7E7 E8 Q9 F13 K14 E15E7-A11 WeakPolarHBondContact O-CB 3.38Å; E7-A11 PolarHBondContact O-N 3.29Å; E8-A11 WeakPolarHBondContact O-CB 3.37Å; E8-A11 PolarHBondContact O-N 2.93Å; E8-A11 VanDerWaalsContact O-N 3.15Å; Q9-A11 VanDerWaalsContact C-N 3.29Å; Q9-A11 PolarHBondContact O-N 2.89Å; A11-F13 VanDerWaalsContact C-N 3.34Å; A11-F13 PolarHBondContact O-N 2.77Å; A11-K14 WeakPolarHBondContact O-CB 3.38Å; A11-K14 PolarHBondContact O-N 3.16Å; A11-K14 VanDerWaalsContact O-N 3.15Å; A11-E15 PolarHBondContact O-N 3.42Å
12E82.8Confident79.1Confident124 Ų12484.5 Ų84.558%0.57943%0.434SS*.Hα-helixtrans-59.5-44.1175.1-70.8-179.1179.600111.8E8 Q9 K14 E15 A16E8-E12 PolarHBondContact O-N 2.86Å; Q9-E12 PolarHBondContact O-N 2.8Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.16Å; E12-E15 PolarHBondContact O-N 2.9Å; E12-A16 PolarHBondContact O-N 3.05Å
13F84.6Confident81.1Confident11 Ų1187.5 Ų87.55%0.04844%0.444CS..Hα-helixtrans-66.6-31.2176.3-70.4-45.7000113.4L5 Q9 I10 A11 A16 F17 F66 F69 L70 M73 M77L5-F13 HydrophobicContact CD1-CD2 3.83Å; L5-F13 HydrophobicContact CD1-CE2 3.68Å; L5-F13 HydrophobicContact CD2-CE2 3.9Å; L5-F13 HydrophobicContact CG-CE2 4.4Å; Q9-F13 HydrophobicContact CB-CE2 4.36Å; Q9-F13 WeakPolarHBondContact O-CD2 3.15Å; Q9-F13 WeakPolarHBondContact O-CG 3.47Å; Q9-F13 PolarHBondContact O-N 3.12Å; I10-F13 PolarHBondContact O-N 3.05Å; A11-F13 VanDerWaalsContact C-N 3.34Å; A11-F13 PolarHBondContact O-N 2.77Å; F13-A16 PolarHBondContact O-N 2.96Å; F13-F17 VanDerWaalsContact O-CB 3.26Å; F13-F17 WeakPolarHBondContact O-CB 3.31Å; F13-F17 PolarHBondContact O-N 3.08Å; F13-F66 HydrophobicContact CB-CE2 4.36Å; F13-F69 HydrophobicContact CB-CE1 4.49Å; F13-L70 HydrophobicContact CB-CD2 3.52Å; F13-L70 HydrophobicContact CD2-CD2 3.53Å; F13-L70 HydrophobicContact CE2-CD2 4.49Å; F13-L70 HydrophobicContact CG-CD2 3.8Å; F13-M73 HydrophobicContact CD1-CB 3.85Å; F13-M73 HydrophobicContact CD1-CE 3.95Å; F13-M73 HydrophobicContact CD1-CG 3.88Å; F13-M73 HydrophobicContact CE1-CB 3.49Å; F13-M73 VanDerWaalsContact CE1-CB 3.49Å; F13-M73 HydrophobicContact CE1-CE 3.5Å; F13-M73 HydrophobicContact CE1-CG 3.89Å; F13-M73 HydrophobicContact CE2-CB 4.42Å; F13-M73 HydrophobicContact CG-CB 4.48Å; F13-M73 HydrophobicContact CZ-CB 3.77Å; F13-M77 HydrophobicContact CE1-SD 4.47Å; F13-M77 HydrophobicContact CE2-SD 4.25Å; F13-M77 HydrophobicContact CZ-CE 4.14Å; F13-M77 HydrophobicContact CZ-CG 4.32Å; F13-M77 HydrophobicContact CZ-SD 3.52Å; F13-M77 VanDerWaalsContact CZ-SD 3.52Å
14K86.2Confident82.8Confident137 Ų13783 Ų8360%0.59643%0.433SS*.Hα-helixtrans-69.6-39.5175.1-167.8173.1-175.9175.50111.6I10 A11 E12 F17 S18 F66I10-K14 WeakPolarHBondContact O-CB 3.37Å; I10-K14 PolarHBondContact O-N 3.45Å; A11-K14 WeakPolarHBondContact O-CB 3.38Å; A11-K14 PolarHBondContact O-N 3.16Å; A11-K14 VanDerWaalsContact O-N 3.15Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.16Å; K14-F17 PolarHBondContact O-N 2.76Å; K14-S18 PolarHBondContact O-N 3.3Å; K14-F66 HydrophobicContact CB-CE2 3.99Å; K14-F66 HydrophobicContact CB-CZ 3.91Å; K14-F66 HydrophobicContact CG-CE2 4.37Å; K14-F66 HydrophobicContact CG-CZ 4.38Å
15E86.9Confident84.5Confident140 Ų14079.5 Ų79.565%0.65442%0.42SS*.Hα-helixtrans-61.8-46.8171-70.1-172.3176.800110.6A11 E12 F17 S18 L19A11-E15 PolarHBondContact O-N 3.42Å; E12-E15 PolarHBondContact O-N 2.9Å; E15-F17 PolarHBondContact O-N 3.37Å; E15-S18 PolarHBondContact O-N 3.09Å; E15-S18 PolarHBondContact O-OG 2.99Å; E15-L19 PolarHBondContact O-N 2.83Å
16A86.3Confident85.6Confident26 Ų2679.8 Ų79.822%0.21543%0.429CS..Hα-helixtrans-59.1-45.4175.700000111.9E12 F13 S18 L19 F20 F69E12-A16 PolarHBondContact O-N 3.05Å; F13-A16 PolarHBondContact O-N 2.96Å; A16-S18 VanDerWaalsContact C-N 3.3Å; A16-S18 PolarHBondContact O-N 2.74Å; A16-L19 VanDerWaalsContact O-CB 3.25Å; A16-L19 WeakPolarHBondContact O-CB 3.41Å; A16-L19 PolarHBondContact O-N 3.39Å; A16-F20 WeakPolarHBondContact O-CD2 3.36Å; A16-F69 HydrophobicContact CB-CE1 4.36Å; A16-F69 HydrophobicContact CB-CZ 4.31Å
17F89Confident86.4Confident12 Ų1277.9 Ų77.95%0.05342%0.418CS..Hα-helixtrans-56.8-43.2177-173.7-92.7000111.6F13 K14 E15 L19 F20 D21 G26 I28 F66 F69F13-F17 VanDerWaalsContact O-CB 3.26Å; F13-F17 WeakPolarHBondContact O-CB 3.31Å; F13-F17 PolarHBondContact O-N 3.08Å; K14-F17 PolarHBondContact O-N 2.76Å; E15-F17 PolarHBondContact O-N 3.37Å; F17-L19 PolarHBondContact O-N 2.98Å; F17-F20 WeakPolarHBondContact O-CA 3.33Å; F17-F20 WeakPolarHBondContact O-CB 3.17Å; F17-F20 PolarHBondContact O-N 2.94Å; F17-D21 HydrophobicContact CD1-CB 4.05Å; F17-D21 HydrophobicContact CE1-CB 3.74Å; F17-D21 HydrophobicContact CZ-CB 4.42Å; F17-D21 PolarHBondContact O-N 3.32Å; F17-G26 WeakPolarHBondContact CZ-O 3.3Å; F17-I28 HydrophobicContact CD2-CD1 3.47Å; F17-I28 VanDerWaalsContact CD2-CD1 3.47Å; F17-I28 HydrophobicContact CD2-CG1 4.14Å; F17-I28 HydrophobicContact CE2-CD1 3.34Å; F17-I28 HydrophobicContact CE2-CG1 3.62Å; F17-I28 HydrophobicContact CG-CD1 4.32Å; F17-I28 HydrophobicContact CZ-CD1 4.07Å; F17-I28 HydrophobicContact CZ-CG1 3.83Å; F17-F66 HydrophobicContact CB-CD2 3.86Å; F17-F66 HydrophobicContact CB-CE2 4.11Å; F17-F66 HydrophobicContact CD1-CD2 4.27Å; F17-F66 HydrophobicContact CD2-CB 4.42Å; F17-F66 AromaticContact CD2-CD2 3.87Å; F17-F66 HydrophobicContact CD2-CD2 3.87Å; F17-F66 HydrophobicContact CE1-CB 4.48Å; F17-F66 HydrophobicContact CE2-CB 4.23Å; F17-F66 HydrophobicContact CE2-CD2 4.49Å; F17-F66 AromaticContact CG-CD2 3.73Å; F17-F66 HydrophobicContact CG-CD2 3.73Å; F17-F66 HydrophobicContact CG-CE2 4.48Å; F17-F66 HydrophobicContact CZ-CB 4.27Å; F17-F69 HydrophobicContact CB-CD1 4.15Å; F17-F69 HydrophobicContact CB-CE1 4.16Å; F17-F69 HydrophobicContact CD2-CB 3.6Å; F17-F69 AromaticContact CD2-CD1 3.83Å; F17-F69 HydrophobicContact CD2-CD1 3.83Å; F17-F69 AromaticContact CD2-CD2 3.96Å; F17-F69 HydrophobicContact CD2-CD2 3.96Å; F17-F69 HydrophobicContact CD2-CE1 4.47Å; F17-F69 AromaticContact CD2-CG 3.54Å; F17-F69 HydrophobicContact CD2-CG 3.54Å; F17-F69 HydrophobicContact CE2-CB 3.82Å; F17-F69 HydrophobicContact CE2-CG 4.2Å; F17-F69 HydrophobicContact CG-CD1 4.5Å
18S89.1Confident87Confident70 Ų7069.6 Ų69.649%0.4938%0.379SS..Hα-helixtrans-66.2-15.7176.776.50000114.3K14 E15 A16K14-S18 PolarHBondContact O-N 3.3Å; E15-S18 PolarHBondContact O-N 3.09Å; E15-S18 PolarHBondContact O-OG 2.99Å; A16-S18 VanDerWaalsContact C-N 3.3Å; A16-S18 PolarHBondContact O-N 2.74Å
19L87.6Confident87.8Confident106 Ų10664.1 Ų64.156%0.55536%0.356SS*.Hα-helixtrans-75.5-28.9170.2-60.8175.1000111.6E15 A16 F17 K22 V36E15-L19 PolarHBondContact O-N 2.83Å; A16-L19 VanDerWaalsContact O-CB 3.25Å; A16-L19 WeakPolarHBondContact O-CB 3.41Å; A16-L19 PolarHBondContact O-N 3.39Å; F17-L19 PolarHBondContact O-N 2.98Å; L19-K22 VanDerWaalsContact O-CE 3.25Å; L19-K22 WeakPolarHBondContact O-CE 3.31Å; L19-K22 PolarHBondContact O-NZ 2.79Å; L19-V36 VanDerWaalsContact O-CG2 3.27Å; L19-V36 WeakPolarHBondContact O-CG2 3.5Å
20F87.4Confident88.6Confident40 Ų4062.1 Ų62.118%0.17535%0.348CS..Hα-helixtrans-85.1-55.7176.4-64.6-85.8000111.5A16 F17 K22 I28 E32 L33 V36 F69A16-F20 WeakPolarHBondContact O-CD2 3.36Å; F17-F20 WeakPolarHBondContact O-CA 3.33Å; F17-F20 WeakPolarHBondContact O-CB 3.17Å; F17-F20 PolarHBondContact O-N 2.94Å; F20-K22 WeakPolarHBondContact O-CG 3.5Å; F20-K22 PolarHBondContact O-N 3.05Å; F20-I28 HydrophobicContact CB-CB 4.49Å; F20-I28 HydrophobicContact CB-CD1 3.4Å; F20-I28 HydrophobicContact CB-CG1 3.66Å; F20-I28 HydrophobicContact CB-CG2 3.99Å; F20-I28 HydrophobicContact CD2-CD1 4.39Å; F20-I28 HydrophobicContact CG-CD1 4.02Å; F20-E32 WeakPolarHBondContact O-CB 3.47Å; F20-L33 HydrophobicContact CD1-CD1 3.98Å; F20-L33 HydrophobicContact CE1-CD1 3.88Å; F20-V36 HydrophobicContact CB-CG2 4.42Å; F20-V36 HydrophobicContact CD1-CB 3.65Å; F20-V36 HydrophobicContact CD1-CG1 3.81Å; F20-V36 HydrophobicContact CD1-CG2 3.64Å; F20-V36 HydrophobicContact CE1-CB 3.72Å; F20-V36 HydrophobicContact CE1-CG1 3.43Å; F20-V36 VanDerWaalsContact CE1-CG1 3.43Å; F20-V36 HydrophobicContact CE1-CG2 4.17Å; F20-V36 HydrophobicContact CG-CG2 4.17Å; F20-V36 HydrophobicContact CZ-CG1 3.97Å; F20-F69 AromaticContact CD2-CE2 3.82Å; F20-F69 HydrophobicContact CD2-CE2 3.82Å; F20-F69 HydrophobicContact CD2-CZ 4.02Å; F20-F69 AromaticContact CE2-CE2 3.85Å; F20-F69 HydrophobicContact CE2-CE2 3.85Å; F20-F69 AromaticContact CE2-CZ 3.89Å; F20-F69 HydrophobicContact CE2-CZ 3.89Å
21D91.7Very high89.2Confident17 Ų1766.9 Ų66.99%0.09137%0.367CS..  trans-66.598.9176.91775.4000110F17 G24 D25 G26 I28F17-D21 HydrophobicContact CD1-CB 4.05Å; F17-D21 HydrophobicContact CE1-CB 3.74Å; F17-D21 HydrophobicContact CZ-CB 4.42Å; F17-D21 PolarHBondContact O-N 3.32Å; D21-G24 WeakPolarHBondContact OD1-CA 3.38Å; D21-G24 PolarHBondContact OD1-N 3.48Å; D21-G24 WeakPolarHBondContact OD2-CA 3.46Å; D21-D25 PolarHBondContact OD1-N 3.48Å; D21-D25 PolarHBondContact OD2-N 3.33Å; D21-G26 WeakPolarHBondContact OD2-CA 3.39Å; D21-G26 PolarHBondContact OD2-N 2.92Å; D21-I28 HydrophobicContact CB-CG1 4.36Å
22K88.1Confident89.6Confident127 Ų12765.2 Ų65.255%0.55235%0.35SS*.SBendtrans-86.4-30.8-171.9-70.5-49.9-170.1-1670112.5L19 F20 E32L19-K22 VanDerWaalsContact O-CE 3.25Å; L19-K22 WeakPolarHBondContact O-CE 3.31Å; L19-K22 PolarHBondContact O-NZ 2.79Å; F20-K22 WeakPolarHBondContact O-CG 3.5Å; F20-K22 PolarHBondContact O-N 3.05Å; K22-E32 HydrophobicContact CB-CG 4.33Å; K22-E32 HydrophobicContact CG-CG 4.33Å; K22-E32 PolarHBondContact N-OE1 3.02Å
23D90.5Very high89.9Confident112 Ų11260 Ų6060%0.59933%0.326SS*.SBendtrans-94.4-11.3179.467.316.3000113.3D25D23-D25 WeakPolarHBondContact OD1-CB 3.32Å; D23-D25 PolarHBondContact OD1-N 2.81Å; D23-D25 VanDerWaalsContact OD1-N 3.09Å
24G88.8Confident90.2Very high57 Ų5759.5 Ų59.559%0.58832%0.324SS*.  trans77.723.1175.200000112.8D21 G26D21-G24 WeakPolarHBondContact OD1-CA 3.38Å; D21-G24 PolarHBondContact OD1-N 3.48Å; D21-G24 WeakPolarHBondContact OD2-CA 3.46Å; G24-G26 PolarHBondContact O-N 3.05Å
25D92.9Very high90.5Very high98 Ų9856.3 Ų56.352%0.52432%0.316SS..SBendtrans-77.1-8.7-179.283.8-1.8000113.6D21 D23 T27D21-D25 PolarHBondContact OD1-N 3.48Å; D21-D25 PolarHBondContact OD2-N 3.33Å; D23-D25 WeakPolarHBondContact OD1-CB 3.32Å; D23-D25 PolarHBondContact OD1-N 2.81Å; D23-D25 VanDerWaalsContact OD1-N 3.09Å; D25-T27 WeakPolarHBondContact OD1-CA 3.43Å; D25-T27 WeakPolarHBondContact OD1-CB 3.29Å; D25-T27 PolarHBondContact OD1-N 3.42Å; D25-T27 PolarHBondContact OD1-OG1 3.01Å; D25-T27 PolarHBondContact OD2-OG1 2.8Å
26G91.8Very high90.5Very high33 Ų3350.2 Ų50.234%0.3429%0.288SS..SBendtrans91.77.8179.200000114.1F17 D21 G24F17-G26 WeakPolarHBondContact CZ-O 3.3Å; D21-G26 WeakPolarHBondContact OD2-CA 3.39Å; D21-G26 PolarHBondContact OD2-N 2.92Å; G24-G26 PolarHBondContact O-N 3.05Å
27T93.8Very high90.5Very high32 Ų3251 Ų5120%0.19629%0.288CS..EExtended strand (participates in β ladder)trans-130.3155.7177.4690000111D25 I64D25-T27 WeakPolarHBondContact OD1-CA 3.43Å; D25-T27 WeakPolarHBondContact OD1-CB 3.29Å; D25-T27 PolarHBondContact OD1-N 3.42Å; D25-T27 PolarHBondContact OD1-OG1 3.01Å; D25-T27 PolarHBondContact OD2-OG1 2.8Å; T27-I64 CarbonylContact C-O 3.52Å; T27-I64 WeakPolarHBondContact CA-O 3.39Å
28I92.7Very high90.4Very high3 Ų355.7 Ų55.72%0.01531%0.306CS..EExtended strand (participates in β ladder)trans-112.6117.6173.9-58.5163.4000108.3F17 F20 D21 E32 L33 T63 I64 F69F17-I28 HydrophobicContact CD2-CD1 3.47Å; F17-I28 VanDerWaalsContact CD2-CD1 3.47Å; F17-I28 HydrophobicContact CD2-CG1 4.14Å; F17-I28 HydrophobicContact CE2-CD1 3.34Å; F17-I28 HydrophobicContact CE2-CG1 3.62Å; F17-I28 HydrophobicContact CG-CD1 4.32Å; F17-I28 HydrophobicContact CZ-CD1 4.07Å; F17-I28 HydrophobicContact CZ-CG1 3.83Å; F20-I28 HydrophobicContact CB-CB 4.49Å; F20-I28 HydrophobicContact CB-CD1 3.4Å; F20-I28 HydrophobicContact CB-CG1 3.66Å; F20-I28 HydrophobicContact CB-CG2 3.99Å; F20-I28 HydrophobicContact CD2-CD1 4.39Å; F20-I28 HydrophobicContact CG-CD1 4.02Å; D21-I28 HydrophobicContact CB-CG1 4.36Å; I28-E32 HydrophobicContact CG2-CB 4.13Å; I28-L33 HydrophobicContact CG2-CB 4.04Å; I28-T63 WeakPolarHBondContact O-CA 3.42Å; I28-I64 HydrophobicContact CB-CB 4.25Å; I28-I64 PolarHBondContact N-O 2.87Å; I28-I64 PolarHBondContact O-N 3.12Å; I28-F69 HydrophobicContact CD1-CD2 3.71Å; I28-F69 HydrophobicContact CD1-CE2 4.1Å; I28-F69 HydrophobicContact CD1-CG 4.46Å
29T93.3Very high90.1Very high41 Ų4156.8 Ų56.825%0.25231%0.313SS..  trans-85.8163.6173.963.50000112.1K31 E32 L33 T63T29-K31 PolarHBondContact O-N 2.7Å; T29-K31 VanDerWaalsContact O-N 3.14Å; T29-E32 WeakPolarHBondContact CB-OE2 3.41Å; T29-E32 PolarHBondContact N-OE2 3.4Å; T29-E32 PolarHBondContact O-N 3.49Å; T29-E32 VanDerWaalsContact O-N 3.1Å; T29-E32 WeakPolarHBondContact OG1-CG 3.39Å; T29-E32 PolarHBondContact OG1-N 3.09Å; T29-E32 PolarHBondContact OG1-OE2 3.39Å; T29-L33 PolarHBondContact O-N 3.04Å; T29-T63 HydrophobicContact CG2-CG2 4.06Å
30T92.1Very high89.9Confident16 Ų1657.6 Ų57.610%0.09832%0.317CS..Hα-helixtrans-54.6-35.617457.10000112G34 E46 L49 Q50 I53T30-G34 PolarHBondContact O-N 3.11Å; T30-E46 VanDerWaalsContact CB-OE1 3.26Å; T30-E46 WeakPolarHBondContact CB-OE1 3.47Å; T30-E46 PolarHBondContact OG1-OE1 3.4Å; T30-L49 HydrophobicContact CG2-CB 4.29Å; T30-Q50 HydrophobicContact CG2-CB 4.43Å; T30-I53 HydrophobicContact CG2-CD1 3.51Å; T30-I53 HydrophobicContact CG2-CG1 4.27Å; T30-I53 VanDerWaalsContact N-CD1 3.32Å
31K92.5Very high89.7Confident152 Ų15258.8 Ų58.866%0.66134%0.341SS*.Hα-helixtrans-66.6-41.5179.8-66.7179.9-176.1169.40112.2T29 T35T29-K31 PolarHBondContact O-N 2.7Å; T29-K31 VanDerWaalsContact O-N 3.14Å; K31-T35 WeakPolarHBondContact O-CB 3.13Å; K31-T35 PolarHBondContact O-N 3.29Å; K31-T35 PolarHBondContact O-OG1 2.74Å
32E93.5Very high89.4Confident15 Ų1563.3 Ų63.37%0.0736%0.362CS..Hα-helixtrans-70.4-48.5178.8-77169.9127.600111.2F20 K22 I28 T29 G34 T35 V36F20-E32 WeakPolarHBondContact O-CB 3.47Å; K22-E32 HydrophobicContact CB-CG 4.33Å; K22-E32 HydrophobicContact CG-CG 4.33Å; K22-E32 PolarHBondContact N-OE1 3.02Å; I28-E32 HydrophobicContact CG2-CB 4.13Å; T29-E32 WeakPolarHBondContact CB-OE2 3.41Å; T29-E32 PolarHBondContact N-OE2 3.4Å; T29-E32 PolarHBondContact O-N 3.49Å; T29-E32 VanDerWaalsContact O-N 3.1Å; T29-E32 WeakPolarHBondContact OG1-CG 3.39Å; T29-E32 PolarHBondContact OG1-N 3.09Å; T29-E32 PolarHBondContact OG1-OE2 3.39Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 2.98Å; E32-T35 WeakPolarHBondContact O-CB 3.3Å; E32-T35 PolarHBondContact O-N 2.91Å; E32-V36 PolarHBondContact O-N 3.3Å
33L90.1Very high89.5Confident16 Ų1663.6 Ų63.68%0.08437%0.369CS..Hα-helixtrans-53.6-47.7172.2-177.960.1000110.9F20 I28 T29 T35 V36 M37 L49 M52 I53F20-L33 HydrophobicContact CD1-CD1 3.98Å; F20-L33 HydrophobicContact CE1-CD1 3.88Å; I28-L33 HydrophobicContact CG2-CB 4.04Å; T29-L33 PolarHBondContact O-N 3.04Å; L33-T35 VanDerWaalsContact C-N 3.3Å; L33-T35 PolarHBondContact O-N 3.41Å; L33-V36 PolarHBondContact O-N 2.87Å; L33-M37 HydrophobicContact CD1-CG 4.34Å; L33-M37 HydrophobicContact CG-CG 4.48Å; L33-M37 WeakPolarHBondContact O-CB 3.11Å; L33-M37 VanDerWaalsContact O-CG 3.25Å; L33-M37 WeakPolarHBondContact O-CG 3.43Å; L33-M37 PolarHBondContact O-N 3.09Å; L33-L49 HydrophobicContact CB-CD2 4.06Å; L33-L49 HydrophobicContact CD2-CD2 3.88Å; L33-L49 HydrophobicContact CG-CD2 3.68Å; L33-M52 HydrophobicContact CD2-CB 4.1Å; L33-M52 HydrophobicContact CD2-CE 4.05Å; L33-I53 HydrophobicContact CD2-CG1 4.18Å
34G90.8Very high89.5Confident0 Ų059 Ų590%035%0.346CS..Hα-helixtrans-63.6-34.4177.900000113.3T30 E32 R38T30-G34 PolarHBondContact O-N 3.11Å; E32-G34 VanDerWaalsContact C-N 3.27Å; E32-G34 PolarHBondContact O-N 2.98Å; G34-R38 VanDerWaalsContact C-CZ 3.41Å; G34-R38 VanDerWaalsContact C-NH2 3.28Å; G34-R38 WeakPolarHBondContact O-CB 3.29Å; G34-R38 VanDerWaalsContact O-CG 3.27Å; G34-R38 WeakPolarHBondContact O-CG 3.32Å; G34-R38 PolarHBondContact O-N 3.47Å; G34-R38 PolarHBondContact O-NE 3.12Å; G34-R38 PolarHBondContact O-NH2 3.35Å
35T90.8Very high89.7Confident69 Ų6960 Ų6042%0.42334%0.34SS..Hα-helixtrans-67.3-43.7177.2-62.70000110.9K31 E32 L33 S39K31-T35 WeakPolarHBondContact O-CB 3.13Å; K31-T35 PolarHBondContact O-N 3.29Å; K31-T35 PolarHBondContact O-OG1 2.74Å; E32-T35 WeakPolarHBondContact O-CB 3.3Å; E32-T35 PolarHBondContact O-N 2.91Å; L33-T35 VanDerWaalsContact C-N 3.3Å; L33-T35 PolarHBondContact O-N 3.41Å; T35-S39 PolarHBondContact O-N 3.13Å
36V87.4Confident89.7Confident12 Ų1260.2 Ų60.27%0.07334%0.338CS..Hα-helixtrans-65.8-49.3175.4178.90000111L19 F20 E32 L33 R38 S39 L40L19-V36 VanDerWaalsContact O-CG2 3.27Å; L19-V36 WeakPolarHBondContact O-CG2 3.5Å; F20-V36 HydrophobicContact CB-CG2 4.42Å; F20-V36 HydrophobicContact CD1-CB 3.65Å; F20-V36 HydrophobicContact CD1-CG1 3.81Å; F20-V36 HydrophobicContact CD1-CG2 3.64Å; F20-V36 HydrophobicContact CE1-CB 3.72Å; F20-V36 HydrophobicContact CE1-CG1 3.43Å; F20-V36 VanDerWaalsContact CE1-CG1 3.43Å; F20-V36 HydrophobicContact CE1-CG2 4.17Å; F20-V36 HydrophobicContact CG-CG2 4.17Å; F20-V36 HydrophobicContact CZ-CG1 3.97Å; E32-V36 PolarHBondContact O-N 3.3Å; L33-V36 PolarHBondContact O-N 2.87Å; V36-R38 VanDerWaalsContact C-N 3.25Å; V36-R38 PolarHBondContact O-N 3.09Å; V36-S39 WeakPolarHBondContact O-CA 3.33Å; V36-S39 WeakPolarHBondContact O-CB 3.41Å; V36-S39 PolarHBondContact O-N 3.3Å; V36-S39 PolarHBondContact O-OG 3.03Å; V36-L40 HydrophobicContact CG1-CD1 4.25Å; V36-L40 PolarHBondContact O-N 3.34Å
37M86.1Confident89.7Confident44 Ų4461.6 Ų61.622%0.21735%0.347CS..Hα-helixtrans-55.3-41.7178.2-72.2-71.5-80.300112.1L33 L40 G41 Q42 P44 M52L33-M37 HydrophobicContact CD1-CG 4.34Å; L33-M37 HydrophobicContact CG-CG 4.48Å; L33-M37 WeakPolarHBondContact O-CB 3.11Å; L33-M37 VanDerWaalsContact O-CG 3.25Å; L33-M37 WeakPolarHBondContact O-CG 3.43Å; L33-M37 PolarHBondContact O-N 3.09Å; M37-L40 PolarHBondContact O-N 3.22Å; M37-G41 PolarHBondContact O-N 3.1Å; M37-Q42 HydrophobicContact CB-CB 4.26Å; M37-Q42 HydrophobicContact CE-CB 4.07Å; M37-Q42 HydrophobicContact CE-CG 4.08Å; M37-Q42 WeakPolarHBondContact O-CB 3.34Å; M37-Q42 PolarHBondContact O-N 3.37Å; M37-P44 HydrophobicContact CB-CG 3.68Å; M37-P44 HydrophobicContact CE-CG 4.47Å; M37-P44 HydrophobicContact CG-CG 4.24Å; M37-M52 HydrophobicContact CE-CE 4.35Å; M37-M52 HydrophobicContact CE-SD 4.43Å
38R87.5Confident89.5Confident110 Ų11064.8 Ų64.842%0.41536%0.359SS..Hα-helixtrans-65.7-35.5174.1-74.1-177-65.9-93.2-1113.9G34 V36 L40 G41 Q42G34-R38 VanDerWaalsContact C-CZ 3.41Å; G34-R38 VanDerWaalsContact C-NH2 3.28Å; G34-R38 WeakPolarHBondContact O-CB 3.29Å; G34-R38 VanDerWaalsContact O-CG 3.27Å; G34-R38 WeakPolarHBondContact O-CG 3.32Å; G34-R38 PolarHBondContact O-N 3.47Å; G34-R38 PolarHBondContact O-NE 3.12Å; G34-R38 PolarHBondContact O-NH2 3.35Å; V36-R38 VanDerWaalsContact C-N 3.25Å; V36-R38 PolarHBondContact O-N 3.09Å; R38-L40 VanDerWaalsContact C-N 3.25Å; R38-L40 PolarHBondContact O-N 3.46Å; R38-G41 PolarHBondContact O-N 2.79Å; R38-G41 VanDerWaalsContact O-N 3.15Å; R38-Q42 VanDerWaalsContact CA-O 3.25Å; R38-Q42 WeakPolarHBondContact CA-O 3.45Å
39S83.6Confident89.4Confident93 Ų9364.7 Ų64.765%0.6536%0.359SS*.Hα-helixtrans-67.3-26.5173.272.60000113.4T35 V36 G41T35-S39 PolarHBondContact O-N 3.13Å; V36-S39 WeakPolarHBondContact O-CA 3.33Å; V36-S39 WeakPolarHBondContact O-CB 3.41Å; V36-S39 PolarHBondContact O-N 3.3Å; V36-S39 PolarHBondContact O-OG 3.03Å; S39-G41 PolarHBondContact O-N 2.95Å
40L82Confident89.3Confident122 Ų12265.9 Ų65.964%0.63936%0.361SS*.THydrogen-bonded Turntrans-83.85173.7-62.4175.9000113.2V36 M37 R38 Q42V36-L40 HydrophobicContact CG1-CD1 4.25Å; V36-L40 PolarHBondContact O-N 3.34Å; M37-L40 PolarHBondContact O-N 3.22Å; R38-L40 VanDerWaalsContact C-N 3.25Å; R38-L40 PolarHBondContact O-N 3.46Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 2.81Å
41G83.2Confident89.2Confident66 Ų6669.8 Ų69.868%0.6838%0.382SS*.THydrogen-bonded Turntrans81.35.8179.700000114.8M37 R38 S39M37-G41 PolarHBondContact O-N 3.1Å; R38-G41 PolarHBondContact O-N 2.79Å; R38-G41 VanDerWaalsContact O-N 3.15Å; S39-G41 PolarHBondContact O-N 2.95Å
42Q86.4Confident88.9Confident111 Ų11165.2 Ų65.252%0.51936%0.363SS..  trans-80.2159.4169.2-55-59.8-50.500110M37 R38 L40M37-Q42 HydrophobicContact CB-CB 4.26Å; M37-Q42 HydrophobicContact CE-CB 4.07Å; M37-Q42 HydrophobicContact CE-CG 4.08Å; M37-Q42 WeakPolarHBondContact O-CB 3.34Å; M37-Q42 PolarHBondContact O-N 3.37Å; R38-Q42 VanDerWaalsContact CA-O 3.25Å; R38-Q42 WeakPolarHBondContact CA-O 3.45Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 2.81Å
43N90.6Very high88.8Confident133 Ų13364.5 Ų64.571%0.71136%0.36SS*.  trans-135.767.9173.6-171.958.3000111
44P89.8Confident88.7Confident17 Ų1767.9 Ų67.911%0.1138%0.378CS..  trans-70.2145-179.631.7-36.3000111M37 E48 L49 M52M37-P44 HydrophobicContact CB-CG 3.68Å; M37-P44 HydrophobicContact CE-CG 4.47Å; M37-P44 HydrophobicContact CG-CG 4.24Å; P44-E48 WeakPolarHBondContact CA-OE2 3.41Å; P44-E48 HydrophobicContact CB-CB 4.33Å; P44-L49 HydrophobicContact CB-CD2 4.2Å; P44-L49 HydrophobicContact CB-CG 4.07Å; P44-L49 HydrophobicContact CG-CD1 4.29Å; P44-L49 HydrophobicContact CG-CD2 3.81Å; P44-L49 HydrophobicContact CG-CG 4.03Å; P44-M52 HydrophobicContact CB-CE 4.46Å
45T92.5Very high88.5Confident76 Ų7675 Ų7547%0.46641%0.411SS..  trans-74.7161.3169.263.40000110.8A47 E48 L49T45-A47 PolarHBondContact O-N 2.99Å; T45-E48 WeakPolarHBondContact CB-OE2 3.46Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.45Å; T45-E48 PolarHBondContact N-OE2 3.2Å; T45-E48 PolarHBondContact O-N 3.04Å; T45-E48 WeakPolarHBondContact OG1-CG 3.28Å; T45-E48 PolarHBondContact OG1-N 3.43Å; T45-E48 PolarHBondContact OG1-OE2 3.44Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 2.97Å
46E92.5Very high88.2Confident104 Ų10472.6 Ų72.649%0.48640%0.396SS..Hα-helixtrans-59.9-33.5176.1-16665.1-159.200112.1T30 L49 Q50T30-E46 VanDerWaalsContact CB-OE1 3.26Å; T30-E46 WeakPolarHBondContact CB-OE1 3.47Å; T30-E46 PolarHBondContact OG1-OE1 3.4Å; E46-L49 PolarHBondContact O-N 2.63Å; E46-Q50 WeakPolarHBondContact O-CB 3.49Å; E46-Q50 PolarHBondContact O-N 2.99Å
47A92.3Very high88.3Confident62 Ų6273 Ų7351%0.51240%0.398SS..Hα-helixtrans-65.8-46.5176.700000111.5T45 L49 Q50 D51T45-A47 PolarHBondContact O-N 2.99Å; A47-L49 VanDerWaalsContact C-N 3.29Å; A47-L49 PolarHBondContact O-N 3.48Å; A47-Q50 PolarHBondContact O-N 3.37Å; A47-D51 WeakPolarHBondContact O-CB 3.18Å; A47-D51 VanDerWaalsContact O-CG 3.27Å; A47-D51 PolarHBondContact O-N 3.27Å
48E89.7Confident88.3Confident98 Ų9875.3 Ų75.346%0.45842%0.424SS..Hα-helixtrans-62.7-37.7175.9-70.5162.2139.700111.7P44 T45 D51 M52P44-E48 WeakPolarHBondContact CA-OE2 3.41Å; P44-E48 HydrophobicContact CB-CB 4.33Å; T45-E48 WeakPolarHBondContact CB-OE2 3.46Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.45Å; T45-E48 PolarHBondContact N-OE2 3.2Å; T45-E48 PolarHBondContact O-N 3.04Å; T45-E48 WeakPolarHBondContact OG1-CG 3.28Å; T45-E48 PolarHBondContact OG1-N 3.43Å; T45-E48 PolarHBondContact OG1-OE2 3.44Å; E48-D51 PolarHBondContact O-N 3.33Å; E48-M52 WeakPolarHBondContact O-CE 3.35Å; E48-M52 WeakPolarHBondContact O-CG 3.26Å; E48-M52 PolarHBondContact O-N 3.26Å
49L90.3Very high88.4Confident1 Ų174.9 Ų74.91%0.00543%0.43CS..Hα-helixtrans-64.5-44.8175.1-70164.9000111.9T30 L33 P44 T45 E46 A47 M52 I53T30-L49 HydrophobicContact CG2-CB 4.29Å; L33-L49 HydrophobicContact CB-CD2 4.06Å; L33-L49 HydrophobicContact CD2-CD2 3.88Å; L33-L49 HydrophobicContact CG-CD2 3.68Å; P44-L49 HydrophobicContact CB-CD2 4.2Å; P44-L49 HydrophobicContact CB-CG 4.07Å; P44-L49 HydrophobicContact CG-CD1 4.29Å; P44-L49 HydrophobicContact CG-CD2 3.81Å; P44-L49 HydrophobicContact CG-CG 4.03Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 2.97Å; E46-L49 PolarHBondContact O-N 2.63Å; A47-L49 VanDerWaalsContact C-N 3.29Å; A47-L49 PolarHBondContact O-N 3.48Å; L49-M52 HydrophobicContact CD2-CE 3.65Å; L49-M52 HydrophobicContact CG-CE 4.27Å; L49-M52 PolarHBondContact O-N 3.35Å; L49-I53 WeakPolarHBondContact O-CG1 3.35Å; L49-I53 PolarHBondContact O-N 3.03Å
50Q91.8Very high88.7Confident66 Ų6673.3 Ų73.331%0.30843%0.429SS..Hα-helixtrans-65.4-40.7177.9-170.86359.500111.5T30 E46 A47 M52 I53 N54T30-Q50 HydrophobicContact CG2-CB 4.43Å; E46-Q50 WeakPolarHBondContact O-CB 3.49Å; E46-Q50 PolarHBondContact O-N 2.99Å; A47-Q50 PolarHBondContact O-N 3.37Å; Q50-M52 VanDerWaalsContact C-N 3.34Å; Q50-I53 PolarHBondContact O-N 2.78Å; Q50-N54 PolarHBondContact NE2-OD1 3.25Å; Q50-N54 WeakPolarHBondContact O-CB 3.45Å; Q50-N54 PolarHBondContact O-N 3.03Å; Q50-N54 PolarHBondContact O-ND2 2.87Å; Q50-N54 PolarHBondContact O-OD1 3.36Å
51D89.5Confident89.1Confident98 Ų9871.3 Ų71.352%0.52442%0.419SS..Hα-helixtrans-61.6-43.8176.3-71.6-20.7000110.8A47 E48 I53 N54 E55A47-D51 WeakPolarHBondContact O-CB 3.18Å; A47-D51 VanDerWaalsContact O-CG 3.27Å; A47-D51 PolarHBondContact O-N 3.27Å; E48-D51 PolarHBondContact O-N 3.33Å; D51-I53 VanDerWaalsContact C-N 3.33Å; D51-I53 PolarHBondContact O-N 3.05Å; D51-N54 PolarHBondContact O-N 2.97Å; D51-E55 WeakPolarHBondContact O-CG 3.31Å; D51-E55 PolarHBondContact O-N 2.86Å; D51-E55 VanDerWaalsContact O-N 3.09Å
52M87.3Confident89.5Confident57 Ų5769.4 Ų69.428%0.28140%0.399SS..Hα-helixtrans-60.8-38.9174.6-74.4-175.1-68.700112.9L33 M37 P44 E48 L49 Q50L33-M52 HydrophobicContact CD2-CB 4.1Å; L33-M52 HydrophobicContact CD2-CE 4.05Å; M37-M52 HydrophobicContact CE-CE 4.35Å; M37-M52 HydrophobicContact CE-SD 4.43Å; P44-M52 HydrophobicContact CB-CE 4.46Å; E48-M52 WeakPolarHBondContact O-CE 3.35Å; E48-M52 WeakPolarHBondContact O-CG 3.26Å; E48-M52 PolarHBondContact O-N 3.26Å; L49-M52 HydrophobicContact CD2-CE 3.65Å; L49-M52 HydrophobicContact CG-CE 4.27Å; L49-M52 PolarHBondContact O-N 3.35Å; Q50-M52 VanDerWaalsContact C-N 3.34Å
53I90.2Very high89.8Confident0 Ų065.3 Ų65.30%038%0.382CS..Hα-helixtrans-66.7-49.3174.6-69.1-166.7000110.4T30 L33 L49 Q50 D51 E55 V56 D57 I64T30-I53 HydrophobicContact CG2-CD1 3.51Å; T30-I53 HydrophobicContact CG2-CG1 4.27Å; T30-I53 VanDerWaalsContact N-CD1 3.32Å; L33-I53 HydrophobicContact CD2-CG1 4.18Å; L49-I53 WeakPolarHBondContact O-CG1 3.35Å; L49-I53 PolarHBondContact O-N 3.03Å; Q50-I53 PolarHBondContact O-N 2.78Å; D51-I53 VanDerWaalsContact C-N 3.33Å; D51-I53 PolarHBondContact O-N 3.05Å; I53-E55 PolarHBondContact O-N 3.48Å; I53-E55 VanDerWaalsContact O-N 3.11Å; I53-V56 PolarHBondContact O-N 2.98Å; I53-D57 HydrophobicContact CG2-CB 3.93Å; I53-D57 WeakPolarHBondContact O-CB 3.47Å; I53-D57 PolarHBondContact O-N 3.24Å; I53-I64 HydrophobicContact CB-CG1 4.35Å; I53-I64 HydrophobicContact CG1-CD1 3.95Å; I53-I64 HydrophobicContact CG1-CG1 4.03Å; I53-I64 HydrophobicContact CG2-CG1 4.13Å
54N88.7Confident89.8Confident86 Ų8659.1 Ų59.146%0.4635%0.348SS..Hα-helixtrans-59.8-25.5-177.6-66.6-17.8000113.6Q50 D51 V56Q50-N54 PolarHBondContact NE2-OD1 3.25Å; Q50-N54 WeakPolarHBondContact O-CB 3.45Å; Q50-N54 PolarHBondContact O-N 3.03Å; Q50-N54 PolarHBondContact O-ND2 2.87Å; Q50-N54 PolarHBondContact O-OD1 3.36Å; D51-N54 PolarHBondContact O-N 2.97Å; N54-V56 PolarHBondContact O-N 3.21Å
55E86.1Confident90Very high150 Ų15060.4 Ų60.470%0.70136%0.355SS*.THydrogen-bonded Turntrans-67.7-21.6175.7-77.1-174.3153.600113.5D51 I53D51-E55 WeakPolarHBondContact O-CG 3.31Å; D51-E55 PolarHBondContact O-N 2.86Å; D51-E55 VanDerWaalsContact O-N 3.09Å; I53-E55 PolarHBondContact O-N 3.48Å; I53-E55 VanDerWaalsContact O-N 3.11Å
56V85.2Confident89.8Confident18 Ų1859 Ų5911%0.10934%0.342CS..THydrogen-bonded Turntrans-121.4-31.5-169.8-168.60000112.1I53 N54 A58 I64 E68 M72I53-V56 PolarHBondContact O-N 2.98Å; N54-V56 PolarHBondContact O-N 3.21Å; V56-A58 PolarHBondContact O-N 2.79Å; V56-I64 HydrophobicContact CG1-CG2 4.37Å; V56-E68 VanDerWaalsContact CG1-C 3.47Å; V56-E68 HydrophobicContact CG1-CB 3.91Å; V56-E68 WeakPolarHBondContact CG1-O 3.1Å; V56-M72 HydrophobicContact CB-CB 4.44Å; V56-M72 HydrophobicContact CG1-CB 3.7Å; V56-M72 HydrophobicContact CG2-CB 3.78Å; V56-M72 HydrophobicContact CG2-CG 3.84Å; V56-M72 HydrophobicContact CG2-SD 3.94Å
57D89.7Confident89.6Confident21 Ų2157.7 Ų57.711%0.11234%0.343CS..  trans-60.490.6176.117912.4000110.4I53 G60 N61 G62I53-D57 HydrophobicContact CG2-CB 3.93Å; I53-D57 WeakPolarHBondContact O-CB 3.47Å; I53-D57 PolarHBondContact O-N 3.24Å; D57-G60 WeakPolarHBondContact OD1-CA 3.5Å; D57-G60 PolarHBondContact OD1-N 2.81Å; D57-G60 VanDerWaalsContact OD2-C 3.29Å; D57-G60 VanDerWaalsContact OD2-CA 3.31Å; D57-G60 WeakPolarHBondContact OD2-CA 3.42Å; D57-N61 PolarHBondContact OD1-N 2.83Å; D57-N61 PolarHBondContact OD2-N 2.99Å; D57-G62 VanDerWaalsContact OD2-CA 3.29Å; D57-G62 WeakPolarHBondContact OD2-CA 3.45Å; D57-G62 PolarHBondContact OD2-N 2.93Å
58A86.1Confident89.5Confident92 Ų9255.2 Ų55.276%0.7632%0.32SS*.SBendtrans-83.2-26.1-174.300000111.4V56 E68V56-A58 PolarHBondContact O-N 2.79Å; A58-E68 PolarHBondContact N-OE1 2.68Å
59D89.8Confident89.3Confident102 Ų10250.7 Ų50.755%0.54530%0.299SS..SBendtrans-91.3-13.8177.5811.2000113.5N61 E68D59-N61 VanDerWaalsContact CG-ND2 3.29Å; D59-N61 WeakPolarHBondContact OD1-CB 3.2Å; D59-N61 PolarHBondContact OD1-N 3.43Å; D59-N61 PolarHBondContact OD1-ND2 3.24Å; D59-N61 PolarHBondContact OD2-ND2 3.41Å; D59-E68 PolarHBondContact N-OE1 2.89Å
60G88Confident89.1Confident60 Ų6051 Ų5162%0.61930%0.301SS*.  trans76.723.2177.400000113.7D57 G62D57-G60 WeakPolarHBondContact OD1-CA 3.5Å; D57-G60 PolarHBondContact OD1-N 2.81Å; D57-G60 VanDerWaalsContact OD2-C 3.29Å; D57-G60 VanDerWaalsContact OD2-CA 3.31Å; D57-G60 WeakPolarHBondContact OD2-CA 3.42Å; G60-G62 VanDerWaalsContact C-N 3.3Å
61N91.4Very high88.5Confident79 Ų7949.9 Ų49.942%0.42230%0.298SS..SBendtrans-81-8.6-177.873.227.6000113.5D57 D59 T63D57-N61 PolarHBondContact OD1-N 2.83Å; D57-N61 PolarHBondContact OD2-N 2.99Å; D59-N61 VanDerWaalsContact CG-ND2 3.29Å; D59-N61 WeakPolarHBondContact OD1-CB 3.2Å; D59-N61 PolarHBondContact OD1-N 3.43Å; D59-N61 PolarHBondContact OD1-ND2 3.24Å; D59-N61 PolarHBondContact OD2-ND2 3.41Å; N61-T63 WeakPolarHBondContact OD1-CA 3.32Å; N61-T63 WeakPolarHBondContact OD1-CB 3.37Å; N61-T63 PolarHBondContact OD1-N 2.82Å; N61-T63 PolarHBondContact OD1-O 3.09Å; N61-T63 PolarHBondContact OD1-OG1 2.68Å
62G90.9Very high88.1Confident26 Ų2647.5 Ų47.527%0.26829%0.285SS..SBendtrans82.213.6179.500000114.7D57 G60D57-G62 VanDerWaalsContact OD2-CA 3.29Å; D57-G62 WeakPolarHBondContact OD2-CA 3.45Å; D57-G62 PolarHBondContact OD2-N 2.93Å; G60-G62 VanDerWaalsContact C-N 3.3Å
63T93Very high87.6Confident25 Ų2547.3 Ų47.315%0.15328%0.284CS..SBendtrans-133168.4176.367.40000109.8I28 T29 N61I28-T63 WeakPolarHBondContact O-CA 3.42Å; T29-T63 HydrophobicContact CG2-CG2 4.06Å; N61-T63 WeakPolarHBondContact OD1-CA 3.32Å; N61-T63 WeakPolarHBondContact OD1-CB 3.37Å; N61-T63 PolarHBondContact OD1-N 2.82Å; N61-T63 PolarHBondContact OD1-O 3.09Å; N61-T63 PolarHBondContact OD1-OG1 2.68Å
64I91.9Very high86.7Confident3 Ų348.5 Ų48.52%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-110.6114.3173.8-58.4173.7000108.2T27 I28 I53 V56 E68 F69T27-I64 CarbonylContact C-O 3.52Å; T27-I64 WeakPolarHBondContact CA-O 3.39Å; I28-I64 HydrophobicContact CB-CB 4.25Å; I28-I64 PolarHBondContact N-O 2.87Å; I28-I64 PolarHBondContact O-N 3.12Å; I53-I64 HydrophobicContact CB-CG1 4.35Å; I53-I64 HydrophobicContact CG1-CD1 3.95Å; I53-I64 HydrophobicContact CG1-CG1 4.03Å; I53-I64 HydrophobicContact CG2-CG1 4.13Å; V56-I64 HydrophobicContact CG1-CG2 4.37Å; I64-E68 WeakPolarHBondContact CA-OE2 3.44Å; I64-E68 HydrophobicContact CG2-CB 3.83Å; I64-F69 HydrophobicContact CG2-CB 3.79Å
65D93.1Very high85.7Confident45 Ų4551.3 Ų51.324%0.24130%0.298CS..EExtended strand (participates in β ladder)trans-78.9171.5169.778.217.9000112.1P67 E68 F69D65-P67 WeakPolarHBondContact OD1-CB 3.43Å; D65-P67 WeakPolarHBondContact OD1-CD 3.19Å; D65-P67 VanDerWaalsContact OD1-N 3.16Å; D65-E68 PolarHBondContact N-OE2 3.21Å; D65-E68 PolarHBondContact O-N 3.48Å; D65-E68 VanDerWaalsContact OD1-CB 3.29Å; D65-E68 WeakPolarHBondContact OD1-CB 2.95Å; D65-E68 VanDerWaalsContact OD1-CG 3.24Å; D65-E68 WeakPolarHBondContact OD1-CG 3.3Å; D65-E68 PolarHBondContact OD1-N 2.97Å; D65-F69 WeakPolarHBondContact O-CB 3.33Å; D65-F69 PolarHBondContact O-N 3.5Å
66F88.8Confident84.6Confident47 Ų4750.5 Ų50.521%0.20629%0.292CS..Hα-helixtrans-61.1-46-179.4-177.9-113000113.7I10 F13 K14 F17 E68 F69 L70I10-F66 HydrophobicContact CG2-CE1 4.3Å; I10-F66 HydrophobicContact CG2-CZ 4.2Å; F13-F66 HydrophobicContact CB-CE2 4.36Å; K14-F66 HydrophobicContact CB-CE2 3.99Å; K14-F66 HydrophobicContact CB-CZ 3.91Å; K14-F66 HydrophobicContact CG-CE2 4.37Å; K14-F66 HydrophobicContact CG-CZ 4.38Å; F17-F66 HydrophobicContact CB-CD2 3.86Å; F17-F66 HydrophobicContact CB-CE2 4.11Å; F17-F66 HydrophobicContact CD1-CD2 4.27Å; F17-F66 HydrophobicContact CD2-CB 4.42Å; F17-F66 AromaticContact CD2-CD2 3.87Å; F17-F66 HydrophobicContact CD2-CD2 3.87Å; F17-F66 HydrophobicContact CE1-CB 4.48Å; F17-F66 HydrophobicContact CE2-CB 4.23Å; F17-F66 HydrophobicContact CE2-CD2 4.49Å; F17-F66 AromaticContact CG-CD2 3.73Å; F17-F66 HydrophobicContact CG-CD2 3.73Å; F17-F66 HydrophobicContact CG-CE2 4.48Å; F17-F66 HydrophobicContact CZ-CB 4.27Å; F66-E68 VanDerWaalsContact C-N 3.32Å; F66-E68 PolarHBondContact O-N 3.44Å; F66-F69 PolarHBondContact O-N 3.47Å; F66-L70 HydrophobicContact CD1-CD1 4.05Å; F66-L70 HydrophobicContact CD1-CG 4.37Å; F66-L70 HydrophobicContact CD2-CG 4.47Å; F66-L70 HydrophobicContact CE1-CD1 3.57Å; F66-L70 HydrophobicContact CE1-CD2 4.39Å; F66-L70 HydrophobicContact CE1-CG 4Å; F66-L70 HydrophobicContact CE2-CD2 4.07Å; F66-L70 HydrophobicContact CE2-CG 4.09Å; F66-L70 HydrophobicContact CZ-CD1 3.86Å; F66-L70 HydrophobicContact CZ-CD2 3.81Å; F66-L70 HydrophobicContact CZ-CG 3.85Å; F66-L70 WeakPolarHBondContact O-CG 3.48Å; F66-L70 PolarHBondContact O-N 3.44Å
67P88.2Confident83.3Confident76 Ų7652.4 Ų52.449%0.49430%0.301SS..Hα-helixtrans-53-41.8170.4-2831.8000115.4D65 L70 T71D65-P67 WeakPolarHBondContact OD1-CB 3.43Å; D65-P67 WeakPolarHBondContact OD1-CD 3.19Å; D65-P67 VanDerWaalsContact OD1-N 3.16Å; P67-L70 PolarHBondContact O-N 3.44Å; P67-T71 PolarHBondContact O-N 2.98Å; P67-T71 PolarHBondContact O-OG1 3.15Å
68E89.3Confident81.8Confident10 Ų1058.7 Ų58.75%0.04733%0.327CS..Hα-helixtrans-66.6-46.8176.3-75.6174153.500110.5V56 A58 D59 I64 D65 F66 L70 T71 M72V56-E68 VanDerWaalsContact CG1-C 3.47Å; V56-E68 HydrophobicContact CG1-CB 3.91Å; V56-E68 WeakPolarHBondContact CG1-O 3.1Å; A58-E68 PolarHBondContact N-OE1 2.68Å; D59-E68 PolarHBondContact N-OE1 2.89Å; I64-E68 WeakPolarHBondContact CA-OE2 3.44Å; I64-E68 HydrophobicContact CG2-CB 3.83Å; D65-E68 PolarHBondContact N-OE2 3.21Å; D65-E68 PolarHBondContact O-N 3.48Å; D65-E68 VanDerWaalsContact OD1-CB 3.29Å; D65-E68 WeakPolarHBondContact OD1-CB 2.95Å; D65-E68 VanDerWaalsContact OD1-CG 3.24Å; D65-E68 WeakPolarHBondContact OD1-CG 3.3Å; D65-E68 PolarHBondContact OD1-N 2.97Å; F66-E68 VanDerWaalsContact C-N 3.32Å; F66-E68 PolarHBondContact O-N 3.44Å; E68-L70 VanDerWaalsContact C-N 3.32Å; E68-L70 PolarHBondContact O-N 3.27Å; E68-T71 CarbonylContact O-C 3.55Å; E68-T71 WeakPolarHBondContact O-CA 3.35Å; E68-T71 WeakPolarHBondContact O-CB 3.29Å; E68-T71 PolarHBondContact O-N 3.34Å; E68-M72 PolarHBondContact O-N 3.02Å
69F86.8Confident80.4Confident2 Ų259.8 Ų59.81%0.00932%0.32CS..Hα-helixtrans-58.1-42.8173.9-175.5-96.5000112.3F13 A16 F17 F20 I28 I64 D65 F66 T71 M72 M73F13-F69 HydrophobicContact CB-CE1 4.49Å; A16-F69 HydrophobicContact CB-CE1 4.36Å; A16-F69 HydrophobicContact CB-CZ 4.31Å; F17-F69 HydrophobicContact CB-CD1 4.15Å; F17-F69 HydrophobicContact CB-CE1 4.16Å; F17-F69 HydrophobicContact CD2-CB 3.6Å; F17-F69 AromaticContact CD2-CD1 3.83Å; F17-F69 HydrophobicContact CD2-CD1 3.83Å; F17-F69 AromaticContact CD2-CD2 3.96Å; F17-F69 HydrophobicContact CD2-CD2 3.96Å; F17-F69 HydrophobicContact CD2-CE1 4.47Å; F17-F69 AromaticContact CD2-CG 3.54Å; F17-F69 HydrophobicContact CD2-CG 3.54Å; F17-F69 HydrophobicContact CE2-CB 3.82Å; F17-F69 HydrophobicContact CE2-CG 4.2Å; F17-F69 HydrophobicContact CG-CD1 4.5Å; F20-F69 AromaticContact CD2-CE2 3.82Å; F20-F69 HydrophobicContact CD2-CE2 3.82Å; F20-F69 HydrophobicContact CD2-CZ 4.02Å; F20-F69 AromaticContact CE2-CE2 3.85Å; F20-F69 HydrophobicContact CE2-CE2 3.85Å; F20-F69 AromaticContact CE2-CZ 3.89Å; F20-F69 HydrophobicContact CE2-CZ 3.89Å; I28-F69 HydrophobicContact CD1-CD2 3.71Å; I28-F69 HydrophobicContact CD1-CE2 4.1Å; I28-F69 HydrophobicContact CD1-CG 4.46Å; I64-F69 HydrophobicContact CG2-CB 3.79Å; D65-F69 WeakPolarHBondContact O-CB 3.33Å; D65-F69 PolarHBondContact O-N 3.5Å; F66-F69 PolarHBondContact O-N 3.47Å; F69-T71 VanDerWaalsContact C-N 3.29Å; F69-T71 PolarHBondContact O-N 2.9Å; F69-M72 HydrophobicContact CD2-CE 3.44Å; F69-M72 VanDerWaalsContact CD2-CE 3.44Å; F69-M72 HydrophobicContact CE2-CE 3.52Å; F69-M72 HydrophobicContact CG-CE 4.3Å; F69-M72 HydrophobicContact CZ-CE 4.42Å; F69-M72 WeakPolarHBondContact O-CB 3.25Å; F69-M72 PolarHBondContact O-N 3.28Å; F69-M73 HydrophobicContact CD1-CG 3.95Å; F69-M73 HydrophobicContact CE1-CG 3.58Å; F69-M73 HydrophobicContact CE1-SD 4.43Å; F69-M73 HydrophobicContact CE2-CG 4.41Å; F69-M73 HydrophobicContact CZ-CG 3.83Å; F69-M73 HydrophobicContact CZ-SD 4.11Å; F69-M73 WeakPolarHBondContact O-CG 3.09Å; F69-M73 PolarHBondContact O-N 3.41Å
70L84.5Confident78.6Confident9 Ų958.3 Ų58.35%0.04732%0.315CS..Hα-helixtrans-61.6-39.1173.6-74.7-179.3000111.5A2 L5 F13 F66 P67 E68 M73 A74A2-L70 HydrophobicContact CB-CD1 4.23Å; L5-L70 HydrophobicContact CD1-CD2 3.92Å; F13-L70 HydrophobicContact CB-CD2 3.52Å; F13-L70 HydrophobicContact CD2-CD2 3.53Å; F13-L70 HydrophobicContact CE2-CD2 4.49Å; F13-L70 HydrophobicContact CG-CD2 3.8Å; F66-L70 HydrophobicContact CD1-CD1 4.05Å; F66-L70 HydrophobicContact CD1-CG 4.37Å; F66-L70 HydrophobicContact CD2-CG 4.47Å; F66-L70 HydrophobicContact CE1-CD1 3.57Å; F66-L70 HydrophobicContact CE1-CD2 4.39Å; F66-L70 HydrophobicContact CE1-CG 4Å; F66-L70 HydrophobicContact CE2-CD2 4.07Å; F66-L70 HydrophobicContact CE2-CG 4.09Å; F66-L70 HydrophobicContact CZ-CD1 3.86Å; F66-L70 HydrophobicContact CZ-CD2 3.81Å; F66-L70 HydrophobicContact CZ-CG 3.85Å; F66-L70 WeakPolarHBondContact O-CG 3.48Å; F66-L70 PolarHBondContact O-N 3.44Å; P67-L70 PolarHBondContact O-N 3.44Å; E68-L70 VanDerWaalsContact C-N 3.32Å; E68-L70 PolarHBondContact O-N 3.27Å; L70-M73 PolarHBondContact O-N 2.55Å; L70-A74 WeakPolarHBondContact O-CB 3.07Å; L70-A74 PolarHBondContact O-N 2.85Å
71T81Confident77.1Confident41 Ų4158.5 Ų58.525%0.25230%0.302SS..Hα-helixtrans-64.9-41.2176.8-58.80000111.1M1 P67 E68 F69 R75M1-T71 HydrophobicContact SD-CG2 4.25Å; P67-T71 PolarHBondContact O-N 2.98Å; P67-T71 PolarHBondContact O-OG1 3.15Å; E68-T71 CarbonylContact O-C 3.55Å; E68-T71 WeakPolarHBondContact O-CA 3.35Å; E68-T71 WeakPolarHBondContact O-CB 3.29Å; E68-T71 PolarHBondContact O-N 3.34Å; F69-T71 VanDerWaalsContact C-N 3.29Å; F69-T71 PolarHBondContact O-N 2.9Å; T71-R75 WeakPolarHBondContact O-CB 3.08Å; T71-R75 WeakPolarHBondContact O-CG 3.18Å; T71-R75 PolarHBondContact O-N 2.98Å
72M80.5Confident76.1Confident48 Ų4856.8 Ų56.824%0.23630%0.296CS..Hα-helixtrans-61.8-51.2173.5-178.9-175.765.800111.9V56 E68 F69 R75 K76V56-M72 HydrophobicContact CB-CB 4.44Å; V56-M72 HydrophobicContact CG1-CB 3.7Å; V56-M72 HydrophobicContact CG2-CB 3.78Å; V56-M72 HydrophobicContact CG2-CG 3.84Å; V56-M72 HydrophobicContact CG2-SD 3.94Å; E68-M72 PolarHBondContact O-N 3.02Å; F69-M72 HydrophobicContact CD2-CE 3.44Å; F69-M72 VanDerWaalsContact CD2-CE 3.44Å; F69-M72 HydrophobicContact CE2-CE 3.52Å; F69-M72 HydrophobicContact CG-CE 4.3Å; F69-M72 HydrophobicContact CZ-CE 4.42Å; F69-M72 WeakPolarHBondContact O-CB 3.25Å; F69-M72 PolarHBondContact O-N 3.28Å; M72-R75 PolarHBondContact O-N 3.43Å; M72-K76 WeakPolarHBondContact O-CG 3.33Å; M72-K76 PolarHBondContact O-N 3.04Å
73M76.6Confident75.4Confident53 Ų5360.3 Ų60.326%0.26131%0.305SS..Hα-helixtrans-67-38.4-178.1-68.1-59.5-70.500112F13 F69 L70 K76 M77F13-M73 HydrophobicContact CD1-CB 3.85Å; F13-M73 HydrophobicContact CD1-CE 3.95Å; F13-M73 HydrophobicContact CD1-CG 3.88Å; F13-M73 HydrophobicContact CE1-CB 3.49Å; F13-M73 VanDerWaalsContact CE1-CB 3.49Å; F13-M73 HydrophobicContact CE1-CE 3.5Å; F13-M73 HydrophobicContact CE1-CG 3.89Å; F13-M73 HydrophobicContact CE2-CB 4.42Å; F13-M73 HydrophobicContact CG-CB 4.48Å; F13-M73 HydrophobicContact CZ-CB 3.77Å; F69-M73 HydrophobicContact CD1-CG 3.95Å; F69-M73 HydrophobicContact CE1-CG 3.58Å; F69-M73 HydrophobicContact CE1-SD 4.43Å; F69-M73 HydrophobicContact CE2-CG 4.41Å; F69-M73 HydrophobicContact CZ-CG 3.83Å; F69-M73 HydrophobicContact CZ-SD 4.11Å; F69-M73 WeakPolarHBondContact O-CG 3.09Å; F69-M73 PolarHBondContact O-N 3.41Å; L70-M73 PolarHBondContact O-N 2.55Å; M73-K76 PolarHBondContact O-N 2.79Å; M73-M77 WeakPolarHBondContact O-CB 3.44Å; M73-M77 PolarHBondContact O-N 3.46Å
74A70.8Confident74.7Confident26 Ų2664.7 Ų64.722%0.21532%0.324CS..Hα-helixtrans-65.4-38.1175.600000112.1L70 K78L70-A74 WeakPolarHBondContact O-CB 3.07Å; L70-A74 PolarHBondContact O-N 2.85Å; A74-K78 VanDerWaalsContact O-CB 3.31Å; A74-K78 WeakPolarHBondContact O-CB 3.3Å; A74-K78 PolarHBondContact O-N 3.26Å
75R68.1Low74.1Confident144 Ų14470.6 Ų70.654%0.54335%0.352SS..Hα-helixtrans-63.1-48.1171.6-76.8179.6-179.2-177.74.2111.2T71 M72 K78 D79T71-R75 WeakPolarHBondContact O-CB 3.08Å; T71-R75 WeakPolarHBondContact O-CG 3.18Å; T71-R75 PolarHBondContact O-N 2.98Å; M72-R75 PolarHBondContact O-N 3.43Å; R75-K78 PolarHBondContact O-N 3.21Å; R75-D79 PolarHBondContact O-N 3.19Å
76K63.9Low73.7Confident134 Ų13469.4 Ų69.458%0.58335%0.345SS*.Hα-helixtrans-61.8-43.2179.5-77.4-91.7-179-179.10113.2M72 M73 D79 T80M72-K76 WeakPolarHBondContact O-CG 3.33Å; M72-K76 PolarHBondContact O-N 3.04Å; M73-K76 PolarHBondContact O-N 2.79Å; K76-D79 PolarHBondContact O-N 2.63Å; K76-T80 VanDerWaalsContact O-CB 3.3Å; K76-T80 WeakPolarHBondContact O-CB 3.37Å; K76-T80 PolarHBondContact O-N 3.43Å; K76-T80 PolarHBondContact O-OG1 3.23Å
77M57.4Low73.7Confident58 Ų5870.9 Ų70.929%0.28635%0.349SS..Hα-helixtrans-61.9-48.6173.6-84.4-166.8139.900110.5F13 M73 D79 T80 D81F13-M77 HydrophobicContact CE1-SD 4.47Å; F13-M77 HydrophobicContact CE2-SD 4.25Å; F13-M77 HydrophobicContact CZ-CE 4.14Å; F13-M77 HydrophobicContact CZ-CG 4.32Å; F13-M77 HydrophobicContact CZ-SD 3.52Å; F13-M77 VanDerWaalsContact CZ-SD 3.52Å; M73-M77 WeakPolarHBondContact O-CB 3.44Å; M73-M77 PolarHBondContact O-N 3.46Å; M77-D79 PolarHBondContact O-N 2.82Å; M77-T80 PolarHBondContact O-N 3.02Å; M77-D81 WeakPolarHBondContact CB-OD2 3.45Å; M77-D81 WeakPolarHBondContact CG-OD2 3.44Å; M77-D81 WeakPolarHBondContact O-CB 3.45Å; M77-D81 PolarHBondContact O-N 2.97Å
78K56.9Low73.7Confident152 Ų15273.4 Ų73.466%0.66135%0.354SS*.Hα-helixtrans-57.7-37.3178.2-168-178.7177.3-169.10112A74 R75 S82A74-K78 VanDerWaalsContact O-CB 3.31Å; A74-K78 WeakPolarHBondContact O-CB 3.3Å; A74-K78 PolarHBondContact O-N 3.26Å; R75-K78 PolarHBondContact O-N 3.21Å; K78-S82 WeakPolarHBondContact O-CB 3.25Å; K78-S82 PolarHBondContact O-OG 2.89Å
79D56.5Low73.6Confident115 Ų11574.6 Ų74.662%0.61537%0.366SS*.Hα-helixtrans-82.5-43.4-178.9-65.4-20.2000112.9R75 K76 M77 E83R75-D79 PolarHBondContact O-N 3.19Å; K76-D79 PolarHBondContact O-N 2.63Å; M77-D79 PolarHBondContact O-N 2.82Å; D79-E83 PolarHBondContact O-N 3.38Å
80T53.5Low73.8Confident71 Ų7175 Ų7544%0.43637%0.368SS..Hα-helixtrans-81.5-46.2-173.2-43.10000112.2K76 M77 S82 E83 E84K76-T80 VanDerWaalsContact O-CB 3.3Å; K76-T80 WeakPolarHBondContact O-CB 3.37Å; K76-T80 PolarHBondContact O-N 3.43Å; K76-T80 PolarHBondContact O-OG1 3.23Å; M77-T80 PolarHBondContact O-N 3.02Å; T80-S82 VanDerWaalsContact C-N 3.27Å; T80-S82 PolarHBondContact O-N 2.94Å; T80-E83 PolarHBondContact O-N 3.05Å; T80-E84 PolarHBondContact O-N 2.97Å; T80-E84 VanDerWaalsContact O-N 3.09Å
81D56.7Low74.2Confident65 Ų6582.6 Ų82.635%0.34840%0.396SS..Hα-helixtrans-64.8-38.8177.9-59.7-30.6000108.9M77 E83 E85M77-D81 WeakPolarHBondContact CB-OD2 3.45Å; M77-D81 WeakPolarHBondContact CG-OD2 3.44Å; M77-D81 WeakPolarHBondContact O-CB 3.45Å; M77-D81 PolarHBondContact O-N 2.97Å; D81-E83 PolarHBondContact O-N 2.96Å; D81-E85 WeakPolarHBondContact O-CB 3.32Å; D81-E85 WeakPolarHBondContact O-CG 3.43Å; D81-E85 PolarHBondContact O-N 2.8Å
82S68.7Low74.6Confident43 Ų4384.3 Ų84.330%0.30141%0.406SS..Hα-helixtrans-61.2-45.3175.7-63.80000112.2K78 T80 I86K78-S82 WeakPolarHBondContact O-CB 3.25Å; K78-S82 PolarHBondContact O-OG 2.89Å; T80-S82 VanDerWaalsContact C-N 3.27Å; T80-S82 PolarHBondContact O-N 2.94Å; S82-I86 WeakPolarHBondContact O-CB 3.41Å; S82-I86 WeakPolarHBondContact O-CD1 3.42Å; S82-I86 WeakPolarHBondContact O-CG1 3.45Å; S82-I86 PolarHBondContact O-N 2.82Å
83E76.6Confident75.2Confident100 Ų10083.3 Ų83.347%0.46740%0.4SS..Hα-helixtrans-68.7-43.9-177.7-166.9-171.9156.300112.3D79 T80 D81 R87D79-E83 PolarHBondContact O-N 3.38Å; T80-E83 PolarHBondContact O-N 3.05Å; D81-E83 PolarHBondContact O-N 2.96Å; E83-R87 VanDerWaalsContact O-CB 3.26Å; E83-R87 WeakPolarHBondContact O-CB 3.48Å; E83-R87 PolarHBondContact O-N 3.3Å; E83-R87 IonicContact OE1-CZ 3.6Å; E83-R87 IonicContact OE1-NH1 3.81Å; E83-R87 IonicContact OE1-NH2 2.63Å; E83-R87 PolarHBondContact OE1-NH2 2.75Å
84E78.2Confident76Confident116 Ų11681.6 Ų81.654%0.54239%0.392SS..Hα-helixtrans-66.1-44.4177-69.7-164.3152.300111.6T80 R87 E88T80-E84 PolarHBondContact O-N 2.97Å; T80-E84 VanDerWaalsContact O-N 3.09Å; E84-R87 PolarHBondContact O-N 2.72Å; E84-E88 WeakPolarHBondContact O-CG 3.42Å; E84-E88 PolarHBondContact O-N 2.95Å
85E80.2Confident76.9Confident128 Ų12886 Ų8660%0.59841%0.406SS*.Hα-helixtrans-62.8-43.2175.3-72.7178.9167.600111.8D81 R87 E88 A89D81-E85 WeakPolarHBondContact O-CB 3.32Å; D81-E85 WeakPolarHBondContact O-CG 3.43Å; D81-E85 PolarHBondContact O-N 2.8Å; E85-R87 VanDerWaalsContact C-N 3.29Å; E85-R87 PolarHBondContact O-N 3.29Å; E85-E88 PolarHBondContact O-N 3.36Å; E85-A89 VanDerWaalsContact O-CB 3.3Å; E85-A89 WeakPolarHBondContact O-CB 3.25Å; E85-A89 PolarHBondContact O-N 3.23Å
86I85.4Confident78.1Confident19 Ų1984.2 Ų84.210%0.09741%0.408CS..Hα-helixtrans-62.5-40.6176.3-71.9164.3000110S82 A89 F90 F142 V143 M146 T147S82-I86 WeakPolarHBondContact O-CB 3.41Å; S82-I86 WeakPolarHBondContact O-CD1 3.42Å; S82-I86 WeakPolarHBondContact O-CG1 3.45Å; S82-I86 PolarHBondContact O-N 2.82Å; I86-A89 PolarHBondContact O-N 3.44Å; I86-F90 WeakPolarHBondContact O-CB 3.25Å; I86-F90 PolarHBondContact O-N 3.26Å; I86-F142 HydrophobicContact CG2-CD1 3.75Å; I86-F142 HydrophobicContact CG2-CE1 3.92Å; I86-V143 HydrophobicContact CG2-CB 4.47Å; I86-V143 HydrophobicContact CG2-CG2 3.68Å; I86-M146 HydrophobicContact CD1-CB 3.95Å; I86-M146 HydrophobicContact CG1-CB 4.01Å; I86-M146 HydrophobicContact CG1-CG 4.34Å; I86-T147 HydrophobicContact CD1-CG2 3.86Å
87R87.5Confident79.4Confident78 Ų7880.7 Ų80.729%0.29441%0.409SS..Hα-helixtrans-66.9-40.4176.7-176179.8-67124.5-0.4112.6E83 E84 E85 F90 R91 Y139E83-R87 VanDerWaalsContact O-CB 3.26Å; E83-R87 WeakPolarHBondContact O-CB 3.48Å; E83-R87 PolarHBondContact O-N 3.3Å; E83-R87 IonicContact OE1-CZ 3.6Å; E83-R87 IonicContact OE1-NH1 3.81Å; E83-R87 IonicContact OE1-NH2 2.63Å; E83-R87 PolarHBondContact OE1-NH2 2.75Å; E84-R87 PolarHBondContact O-N 2.72Å; E85-R87 VanDerWaalsContact C-N 3.29Å; E85-R87 PolarHBondContact O-N 3.29Å; R87-F90 PolarHBondContact O-N 3Å; R87-R91 WeakPolarHBondContact O-CG 3.17Å; R87-R91 PolarHBondContact O-N 3.28Å; R87-R91 VanDerWaalsContact O-N 3.09Å; R87-Y139 HydrophobicContact CB-CE2 4.08Å; R87-Y139 HydrophobicContact CG-CE2 4.34Å; R87-Y139 PolarHBondContact NH2-OH 3.02Å
88E87.9Confident81.2Confident129 Ų12981.3 Ų81.360%0.60341%0.414SS*.Hα-helixtrans-65.6-43.8173.9-72.5-167162.500111.4E84 E85 F90 R91 V92E84-E88 WeakPolarHBondContact O-CG 3.42Å; E84-E88 PolarHBondContact O-N 2.95Å; E85-E88 PolarHBondContact O-N 3.36Å; E88-F90 VanDerWaalsContact C-N 3.34Å; E88-F90 PolarHBondContact O-N 3.32Å; E88-R91 PolarHBondContact O-N 2.87Å; E88-V92 WeakPolarHBondContact O-CG2 3.41Å; E88-V92 PolarHBondContact O-N 3.05Å
89A88.1Confident83Confident35 Ų3575.6 Ų75.629%0.28940%0.398SS..Hα-helixtrans-58.2-46.8173.900000111E85 I86 R91 V92 F93 F142E85-A89 VanDerWaalsContact O-CB 3.3Å; E85-A89 WeakPolarHBondContact O-CB 3.25Å; E85-A89 PolarHBondContact O-N 3.23Å; I86-A89 PolarHBondContact O-N 3.44Å; A89-R91 VanDerWaalsContact C-N 3.32Å; A89-R91 PolarHBondContact O-N 3.32Å; A89-V92 WeakPolarHBondContact O-CA 3.38Å; A89-V92 WeakPolarHBondContact O-CB 3.11Å; A89-V92 PolarHBondContact O-N 2.85Å; A89-F93 WeakPolarHBondContact O-CD2 3.34Å; A89-F93 PolarHBondContact O-N 2.91Å; A89-F93 VanDerWaalsContact O-N 3.13Å; A89-F142 HydrophobicContact CB-CE1 4.11Å; A89-F142 HydrophobicContact CB-CZ 4.17Å
90F91.8Very high84.8Confident12 Ų1273.5 Ų73.55%0.05338%0.383CS..Hα-helixtrans-55.4-46.2176.5-171.3-90.3000111.6I86 R87 E88 V92 F93 D94 G99 I101 Y139 F142I86-F90 WeakPolarHBondContact O-CB 3.25Å; I86-F90 PolarHBondContact O-N 3.26Å; R87-F90 PolarHBondContact O-N 3Å; E88-F90 VanDerWaalsContact C-N 3.34Å; E88-F90 PolarHBondContact O-N 3.32Å; F90-V92 PolarHBondContact O-N 3.24Å; F90-F93 PolarHBondContact O-N 3.4Å; F90-F93 VanDerWaalsContact O-N 3.09Å; F90-D94 HydrophobicContact CD1-CB 4.2Å; F90-D94 HydrophobicContact CE1-CB 3.87Å; F90-D94 HydrophobicContact CZ-CB 4.5Å; F90-D94 WeakPolarHBondContact O-CB 3.42Å; F90-D94 PolarHBondContact O-N 3.42Å; F90-G99 VanDerWaalsContact CZ-O 3.29Å; F90-G99 WeakPolarHBondContact CZ-O 3.27Å; F90-I101 HydrophobicContact CD2-CD1 3.52Å; F90-I101 HydrophobicContact CD2-CG1 4.1Å; F90-I101 HydrophobicContact CE2-CD1 3.5Å; F90-I101 VanDerWaalsContact CE2-CD1 3.5Å; F90-I101 HydrophobicContact CE2-CG1 3.67Å; F90-I101 HydrophobicContact CG-CD1 4.35Å; F90-I101 HydrophobicContact CZ-CD1 4.31Å; F90-I101 HydrophobicContact CZ-CG1 4Å; F90-Y139 HydrophobicContact CB-CD2 4.17Å; F90-Y139 HydrophobicContact CB-CE2 4.48Å; F90-Y139 HydrophobicContact CD1-CD2 4.24Å; F90-Y139 HydrophobicContact CD2-CD2 4.12Å; F90-Y139 AromaticContact CG-CD2 3.9Å; F90-Y139 HydrophobicContact CG-CD2 3.9Å; F90-F142 HydrophobicContact CB-CD1 4.06Å; F90-F142 HydrophobicContact CB-CE1 4.17Å; F90-F142 HydrophobicContact CD2-CB 3.65Å; F90-F142 AromaticContact CD2-CD1 3.78Å; F90-F142 HydrophobicContact CD2-CD1 3.78Å; F90-F142 HydrophobicContact CD2-CD2 4.33Å; F90-F142 AromaticContact CD2-CG 3.67Å; F90-F142 HydrophobicContact CD2-CG 3.67Å; F90-F142 HydrophobicContact CE2-CB 3.94Å; F90-F142 HydrophobicContact CE2-CG 4.35Å; F90-F142 HydrophobicContact CG-CD1 4.43Å
91R91.2Very high86.8Confident168 Ų16870.3 Ų70.363%0.63436%0.364SS*.Hα-helixtrans-65.1-24.3175.5-70.3176-175.5165.73.5113.9R87 E88 A89R87-R91 WeakPolarHBondContact O-CG 3.17Å; R87-R91 PolarHBondContact O-N 3.28Å; R87-R91 VanDerWaalsContact O-N 3.09Å; E88-R91 PolarHBondContact O-N 2.87Å; A89-R91 VanDerWaalsContact C-N 3.32Å; A89-R91 PolarHBondContact O-N 3.32Å
92V91Very high88.6Confident76 Ų7668.5 Ų68.546%0.46136%0.356SS..Hα-helixtrans-72.1-37.3173.7171.80000110.2E88 A89 F90 K95 V109E88-V92 WeakPolarHBondContact O-CG2 3.41Å; E88-V92 PolarHBondContact O-N 3.05Å; A89-V92 WeakPolarHBondContact O-CA 3.38Å; A89-V92 WeakPolarHBondContact O-CB 3.11Å; A89-V92 PolarHBondContact O-N 2.85Å; F90-V92 PolarHBondContact O-N 3.24Å; V92-K95 WeakPolarHBondContact O-CE 3.31Å; V92-K95 PolarHBondContact O-NZ 3.28Å; V92-V109 HydrophobicContact CG1-CG1 4.23Å
93F91.3Very high89.8Confident27 Ų2767.6 Ų67.612%0.11835%0.351CS..Hα-helixtrans-75.3-53176.1-73.1-77.9000112.6A89 F90 K95 I101 E105 L106 V109 F142A89-F93 WeakPolarHBondContact O-CD2 3.34Å; A89-F93 PolarHBondContact O-N 2.91Å; A89-F93 VanDerWaalsContact O-N 3.13Å; F90-F93 PolarHBondContact O-N 3.4Å; F90-F93 VanDerWaalsContact O-N 3.09Å; F93-K95 PolarHBondContact O-N 2.86Å; F93-I101 HydrophobicContact CB-CB 4.46Å; F93-I101 HydrophobicContact CB-CD1 3.45Å; F93-I101 VanDerWaalsContact CB-CD1 3.45Å; F93-I101 HydrophobicContact CB-CG1 3.65Å; F93-I101 HydrophobicContact CB-CG2 3.97Å; F93-I101 HydrophobicContact CD2-CD1 4.41Å; F93-I101 HydrophobicContact CG-CD1 4.08Å; F93-E105 WeakPolarHBondContact O-CB 3.45Å; F93-L106 HydrophobicContact CD1-CD1 3.92Å; F93-L106 HydrophobicContact CE1-CD1 3.59Å; F93-L106 HydrophobicContact CZ-CD1 4.45Å; F93-V109 HydrophobicContact CD1-CB 3.55Å; F93-V109 HydrophobicContact CD1-CG1 3.69Å; F93-V109 HydrophobicContact CD1-CG2 3.75Å; F93-V109 HydrophobicContact CE1-CB 3.54Å; F93-V109 HydrophobicContact CE1-CG1 3.36Å; F93-V109 HydrophobicContact CE1-CG2 4.26Å; F93-V109 HydrophobicContact CG-CG1 4.41Å; F93-V109 HydrophobicContact CG-CG2 4.37Å; F93-V109 HydrophobicContact CZ-CB 4.48Å; F93-V109 HydrophobicContact CZ-CG1 3.83Å; F93-F142 AromaticContact CD2-CE2 3.89Å; F93-F142 HydrophobicContact CD2-CE2 3.89Å; F93-F142 AromaticContact CD2-CZ 3.85Å; F93-F142 HydrophobicContact CD2-CZ 3.85Å; F93-F142 HydrophobicContact CE2-CE2 4.04Å; F93-F142 AromaticContact CE2-CZ 3.93Å; F93-F142 HydrophobicContact CE2-CZ 3.93Å
94D93.7Very high90.5Very high17 Ų1765.2 Ų65.29%0.09135%0.348CS..  trans-70.190.6176.9177.310.1000110.4F90 D96 G97 N98 G99 I101F90-D94 HydrophobicContact CD1-CB 4.2Å; F90-D94 HydrophobicContact CE1-CB 3.87Å; F90-D94 HydrophobicContact CZ-CB 4.5Å; F90-D94 WeakPolarHBondContact O-CB 3.42Å; F90-D94 PolarHBondContact O-N 3.42Å; D94-D96 VanDerWaalsContact OD1-OD1 3.11Å; D94-G97 WeakPolarHBondContact OD1-CA 3.44Å; D94-G97 PolarHBondContact OD1-N 3.01Å; D94-G97 WeakPolarHBondContact OD2-CA 3.32Å; D94-N98 PolarHBondContact OD1-N 3Å; D94-N98 VanDerWaalsContact OD1-N 3.12Å; D94-N98 PolarHBondContact OD2-N 3.26Å; D94-G99 WeakPolarHBondContact OD2-CA 3.32Å; D94-G99 PolarHBondContact OD2-N 3.11Å; D94-I101 HydrophobicContact CB-CG1 4.46Å
95K90.4Very high91.3Very high118 Ų11860.6 Ų60.651%0.51333%0.327SS..SBendtrans-81.6-31.4-173.5-72.6-58.7-173.1-152.90112.2V92 F93 E105V92-K95 WeakPolarHBondContact O-CE 3.31Å; V92-K95 PolarHBondContact O-NZ 3.28Å; F93-K95 PolarHBondContact O-N 2.86Å; K95-E105 HydrophobicContact CB-CG 4.39Å; K95-E105 PolarHBondContact N-OE1 3.43Å
96D93.1Very high91.8Very high108 Ų10855 Ų5558%0.57830%0.301SS*.SBendtrans-86.7-13.917974.48.5000112.8D94 N98 E105D94-D96 VanDerWaalsContact OD1-OD1 3.11Å; D96-N98 VanDerWaalsContact CG-ND2 3.28Å; D96-N98 WeakPolarHBondContact OD1-CB 3.27Å; D96-N98 PolarHBondContact OD1-N 3.05Å; D96-N98 PolarHBondContact OD1-ND2 3.23Å; D96-N98 PolarHBondContact OD2-ND2 3.38Å; D96-E105 PolarHBondContact N-OE1 3.4Å
97G91.8Very high92.1Very high59 Ų5958.5 Ų58.561%0.60831%0.313SS*.  trans76.124.4176.400000113D94 G99D94-G97 WeakPolarHBondContact OD1-CA 3.44Å; D94-G97 PolarHBondContact OD1-N 3.01Å; D94-G97 WeakPolarHBondContact OD2-CA 3.32Å; G97-G99 VanDerWaalsContact C-N 3.29Å
98N94.3Very high92.3Very high72 Ų7259.4 Ų59.439%0.38532%0.32SS..SBendtrans-80.8-8.5-177.272.424.2000113.2D94 D96 F100D94-N98 PolarHBondContact OD1-N 3Å; D94-N98 VanDerWaalsContact OD1-N 3.12Å; D94-N98 PolarHBondContact OD2-N 3.26Å; D96-N98 VanDerWaalsContact CG-ND2 3.28Å; D96-N98 WeakPolarHBondContact OD1-CB 3.27Å; D96-N98 PolarHBondContact OD1-N 3.05Å; D96-N98 PolarHBondContact OD1-ND2 3.23Å; D96-N98 PolarHBondContact OD2-ND2 3.38Å; N98-F100 WeakPolarHBondContact OD1-CA 3.48Å; N98-F100 VanDerWaalsContact OD1-CB 3.31Å; N98-F100 WeakPolarHBondContact OD1-CB 3.38Å; N98-F100 PolarHBondContact OD1-N 3.09Å; N98-F100 PolarHBondContact OD1-O 3.49Å
99G94.2Very high92.4Very high31 Ų3153.7 Ų53.732%0.3229%0.294SS..SBendtrans92.19-178.300000115F90 D94 G97F90-G99 VanDerWaalsContact CZ-O 3.29Å; F90-G99 WeakPolarHBondContact CZ-O 3.27Å; D94-G99 WeakPolarHBondContact OD2-CA 3.32Å; D94-G99 PolarHBondContact OD2-N 3.11Å; G97-G99 VanDerWaalsContact C-N 3.29Å
100F96Very high92.4Very high72 Ų7253.7 Ų53.732%0.31629%0.289SS..EExtended strand (participates in β ladder)trans-135.7150-179.1-58.8-94.2000110.4N98 Q136 V137 N138N98-F100 WeakPolarHBondContact OD1-CA 3.48Å; N98-F100 VanDerWaalsContact OD1-CB 3.31Å; N98-F100 WeakPolarHBondContact OD1-CB 3.38Å; N98-F100 PolarHBondContact OD1-N 3.09Å; N98-F100 PolarHBondContact OD1-O 3.49Å; F100-Q136 HydrophobicContact CB-CB 4.11Å; F100-Q136 VanDerWaalsContact CB-OE1 3.28Å; F100-Q136 HydrophobicContact CD1-CB 4.35Å; F100-V137 CarbonylContact C-O 3.15Å; F100-V137 WeakPolarHBondContact CA-O 3.47Å; F100-N138 HydrophobicContact CD1-CB 3.81Å; F100-N138 HydrophobicContact CE1-CB 3.8Å
101I94.8Very high92.3Very high4 Ų456.2 Ų56.22%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-104.5113.7172.7-59.2166.4000108F90 F93 D94 E105 L106 V137 F142F90-I101 HydrophobicContact CD2-CD1 3.52Å; F90-I101 HydrophobicContact CD2-CG1 4.1Å; F90-I101 HydrophobicContact CE2-CD1 3.5Å; F90-I101 VanDerWaalsContact CE2-CD1 3.5Å; F90-I101 HydrophobicContact CE2-CG1 3.67Å; F90-I101 HydrophobicContact CG-CD1 4.35Å; F90-I101 HydrophobicContact CZ-CD1 4.31Å; F90-I101 HydrophobicContact CZ-CG1 4Å; F93-I101 HydrophobicContact CB-CB 4.46Å; F93-I101 HydrophobicContact CB-CD1 3.45Å; F93-I101 VanDerWaalsContact CB-CD1 3.45Å; F93-I101 HydrophobicContact CB-CG1 3.65Å; F93-I101 HydrophobicContact CB-CG2 3.97Å; F93-I101 HydrophobicContact CD2-CD1 4.41Å; F93-I101 HydrophobicContact CG-CD1 4.08Å; D94-I101 HydrophobicContact CB-CG1 4.46Å; I101-E105 HydrophobicContact CG2-CB 4.4Å; I101-L106 HydrophobicContact CG2-CB 4.12Å; I101-V137 HydrophobicContact CB-CB 4.3Å; I101-V137 PolarHBondContact N-O 3.34Å; I101-V137 PolarHBondContact O-N 3Å; I101-F142 HydrophobicContact CD1-CD2 3.53Å; I101-F142 HydrophobicContact CD1-CE2 3.86Å; I101-F142 HydrophobicContact CD1-CG 4.12Å
102S94.5Very high92Very high26 Ų2653.4 Ų53.418%0.18230%0.303CS..  trans-80.1157.5172.366.70000112A104 E105 L106S102-A104 PolarHBondContact O-N 3.45Å; S102-A104 VanDerWaalsContact O-N 3.15Å; S102-E105 WeakPolarHBondContact CB-OE2 3.37Å; S102-E105 PolarHBondContact N-OE2 3.15Å; S102-E105 WeakPolarHBondContact O-CB 3.44Å; S102-E105 PolarHBondContact O-N 2.98Å; S102-E105 WeakPolarHBondContact OG-CG 3.44Å; S102-E105 PolarHBondContact OG-N 3.15Å; S102-E105 PolarHBondContact OG-OE2 3.01Å; S102-L106 PolarHBondContact O-N 3.13Å
103A92.8Very high91.8Very high24 Ų2455.6 Ų55.620%0.19831%0.311CS..Hα-helixtrans-52.3-36.8171.200000112.6R107 V122 I126A103-R107 WeakPolarHBondContact O-CB 3.39Å; A103-R107 PolarHBondContact O-N 3.12Å; A103-V122 HydrophobicContact CB-CG1 3.79Å; A103-V122 VanDerWaalsContact O-CG1 3.31Å; A103-V122 WeakPolarHBondContact O-CG1 3.43Å; A103-I126 HydrophobicContact CB-CG1 4.15Å
104A92.9Very high91.6Very high50 Ų5057.1 Ų57.141%0.41333%0.334SS..Hα-helixtrans-66.6-39.4178.800000112.6S102 H108S102-A104 PolarHBondContact O-N 3.45Å; S102-A104 VanDerWaalsContact O-N 3.15Å; A104-H108 WeakPolarHBondContact O-CB 3.4Å; A104-H108 PolarHBondContact O-N 2.97Å
105E93.9Very high91.4Very high19 Ų1961.7 Ų61.79%0.08936%0.355CS..Hα-helixtrans-70.2-46.6176.3-77.1165.7132.500111.8F93 K95 D96 I101 S102 R107 H108 V109F93-E105 WeakPolarHBondContact O-CB 3.45Å; K95-E105 HydrophobicContact CB-CG 4.39Å; K95-E105 PolarHBondContact N-OE1 3.43Å; D96-E105 PolarHBondContact N-OE1 3.4Å; I101-E105 HydrophobicContact CG2-CB 4.4Å; S102-E105 WeakPolarHBondContact CB-OE2 3.37Å; S102-E105 PolarHBondContact N-OE2 3.15Å; S102-E105 WeakPolarHBondContact O-CB 3.44Å; S102-E105 PolarHBondContact O-N 2.98Å; S102-E105 WeakPolarHBondContact OG-CG 3.44Å; S102-E105 PolarHBondContact OG-N 3.15Å; S102-E105 PolarHBondContact OG-OE2 3.01Å; E105-R107 VanDerWaalsContact C-N 3.33Å; E105-R107 PolarHBondContact O-N 3.42Å; E105-H108 WeakPolarHBondContact O-CB 3.42Å; E105-H108 PolarHBondContact O-N 3.31Å; E105-H108 VanDerWaalsContact O-N 3.09Å; E105-V109 WeakPolarHBondContact O-CG2 3.38Å; E105-V109 PolarHBondContact O-N 3.42Å
106L92.2Very high91.2Very high12 Ų1264.9 Ų64.96%0.06337%0.369CS..Hα-helixtrans-54.2-50.9174.9-178.560.1000110.8F93 I101 S102 H108 V109 M110 V122 M125 I126F93-L106 HydrophobicContact CD1-CD1 3.92Å; F93-L106 HydrophobicContact CE1-CD1 3.59Å; F93-L106 HydrophobicContact CZ-CD1 4.45Å; I101-L106 HydrophobicContact CG2-CB 4.12Å; S102-L106 PolarHBondContact O-N 3.13Å; L106-H108 VanDerWaalsContact C-N 3.32Å; L106-H108 PolarHBondContact O-N 2.66Å; L106-V109 PolarHBondContact O-N 2.89Å; L106-M110 HydrophobicContact CD1-CG 4.11Å; L106-M110 HydrophobicContact CG-CG 4.48Å; L106-M110 WeakPolarHBondContact O-CB 3.07Å; L106-M110 VanDerWaalsContact O-CG 3.28Å; L106-M110 WeakPolarHBondContact O-CG 3.49Å; L106-M110 PolarHBondContact O-N 3.22Å; L106-V122 HydrophobicContact CB-CG1 4.45Å; L106-V122 HydrophobicContact CD2-CG1 4.22Å; L106-M125 HydrophobicContact CD1-CE 4.41Å; L106-M125 HydrophobicContact CD2-CB 3.93Å; L106-M125 HydrophobicContact CD2-CE 4.32Å; L106-M125 HydrophobicContact CD2-SD 4.29Å; L106-I126 HydrophobicContact CB-CD1 4.5Å; L106-I126 HydrophobicContact CD2-CD1 3.77Å; L106-I126 HydrophobicContact CD2-CG1 4.06Å
107R91.3Very high91Very high91 Ų9161.4 Ų61.434%0.34335%0.35SS..Hα-helixtrans-58.6-43.4176.7-172.8178.359.8-119.2-16.2112.2A103 E105 T111 D119 V122A103-R107 WeakPolarHBondContact O-CB 3.39Å; A103-R107 PolarHBondContact O-N 3.12Å; E105-R107 VanDerWaalsContact C-N 3.33Å; E105-R107 PolarHBondContact O-N 3.42Å; R107-T111 VanDerWaalsContact O-CB 3.29Å; R107-T111 WeakPolarHBondContact O-CB 3.49Å; R107-T111 PolarHBondContact O-N 3.19Å; R107-T111 PolarHBondContact O-OG1 2.94Å; R107-D119 IonicContact CZ-OD1 3.83Å; R107-D119 IonicContact NH1-OD1 2.93Å; R107-D119 PolarHBondContact NH1-OD1 3.18Å; R107-V122 HydrophobicContact CB-CG1 4.39Å; R107-V122 HydrophobicContact CB-CG2 3.93Å; R107-V122 HydrophobicContact CG-CG2 4.16Å
108H90.6Very high91Very high98 Ų9862.3 Ų62.345%0.45434%0.344SS..Hα-helixtrans-62.5-46.1-179.7-17969000111.5A104 E105 L106 N112A104-H108 WeakPolarHBondContact O-CB 3.4Å; A104-H108 PolarHBondContact O-N 2.97Å; E105-H108 WeakPolarHBondContact O-CB 3.42Å; E105-H108 PolarHBondContact O-N 3.31Å; E105-H108 VanDerWaalsContact O-N 3.09Å; L106-H108 VanDerWaalsContact C-N 3.32Å; L106-H108 PolarHBondContact O-N 2.66Å; H108-N112 PolarHBondContact CD2-ND2 2.94Å; H108-N112 PolarHBondContact NE2-ND2 3.3Å; H108-N112 PolarHBondContact O-N 3.43Å; H108-N112 VanDerWaalsContact O-N 3.11Å; H108-N112 PolarHBondContact O-ND2 3.45Å; H108-N112 VanDerWaalsContact O-ND2 3.16Å
109V89.7Confident90.8Very high8 Ų863.4 Ų63.45%0.04835%0.35CS..Hα-helixtrans-66.7-46.5178.8178.40000111.4V92 F93 E105 L106 T111 N112 L113V92-V109 HydrophobicContact CG1-CG1 4.23Å; F93-V109 HydrophobicContact CD1-CB 3.55Å; F93-V109 HydrophobicContact CD1-CG1 3.69Å; F93-V109 HydrophobicContact CD1-CG2 3.75Å; F93-V109 HydrophobicContact CE1-CB 3.54Å; F93-V109 HydrophobicContact CE1-CG1 3.36Å; F93-V109 HydrophobicContact CE1-CG2 4.26Å; F93-V109 HydrophobicContact CG-CG1 4.41Å; F93-V109 HydrophobicContact CG-CG2 4.37Å; F93-V109 HydrophobicContact CZ-CB 4.48Å; F93-V109 HydrophobicContact CZ-CG1 3.83Å; E105-V109 WeakPolarHBondContact O-CG2 3.38Å; E105-V109 PolarHBondContact O-N 3.42Å; L106-V109 PolarHBondContact O-N 2.89Å; V109-T111 VanDerWaalsContact C-N 3.29Å; V109-T111 PolarHBondContact O-N 3.43Å; V109-N112 WeakPolarHBondContact O-CB 3.47Å; V109-N112 PolarHBondContact O-N 3.39Å; V109-L113 HydrophobicContact CG1-CD1 4.22Å; V109-L113 WeakPolarHBondContact O-CG 3.26Å; V109-L113 PolarHBondContact O-N 2.71Å
110M89.6Confident90.7Very high35 Ų3568.1 Ų68.117%0.17237%0.368CS..Hα-helixtrans-60.2-40.5178.3-68.2-61.1-76.900111.9L106 N112 L113 G114 E115 L117L106-M110 HydrophobicContact CD1-CG 4.11Å; L106-M110 HydrophobicContact CG-CG 4.48Å; L106-M110 WeakPolarHBondContact O-CB 3.07Å; L106-M110 VanDerWaalsContact O-CG 3.28Å; L106-M110 WeakPolarHBondContact O-CG 3.49Å; L106-M110 PolarHBondContact O-N 3.22Å; M110-N112 VanDerWaalsContact C-N 3.32Å; M110-N112 PolarHBondContact O-N 2.94Å; M110-L113 CarbonylContact O-C 3.59Å; M110-L113 WeakPolarHBondContact O-CB 3.25Å; M110-L113 PolarHBondContact O-N 2.9Å; M110-L113 VanDerWaalsContact O-N 3.09Å; M110-L113 HydrophobicContact SD-CD1 4.18Å; M110-G114 PolarHBondContact O-N 2.93Å; M110-E115 CarbonylContact C-O 3.59Å; M110-E115 HydrophobicContact CB-CB 4.44Å; M110-E115 HydrophobicContact CE-CB 4.03Å; M110-E115 HydrophobicContact CE-CG 4.21Å; M110-E115 PolarHBondContact O-N 3.36Å; M110-L117 HydrophobicContact CB-CD1 3.83Å; M110-L117 HydrophobicContact CB-CG 4.3Å; M110-L117 HydrophobicContact CE-CD1 3.94Å; M110-L117 HydrophobicContact CG-CD1 3.73Å
111T89.1Confident90.5Very high66 Ų6668.7 Ų68.741%0.40537%0.372SS..Hα-helixtrans-61.8-39.6174.5-58.20000112R107 V109 L113 G114 E115R107-T111 VanDerWaalsContact O-CB 3.29Å; R107-T111 WeakPolarHBondContact O-CB 3.49Å; R107-T111 PolarHBondContact O-N 3.19Å; R107-T111 PolarHBondContact O-OG1 2.94Å; V109-T111 VanDerWaalsContact C-N 3.29Å; V109-T111 PolarHBondContact O-N 3.43Å; T111-L113 VanDerWaalsContact C-N 3.3Å; T111-L113 PolarHBondContact O-N 3.04Å; T111-G114 PolarHBondContact O-N 3.04Å; T111-G114 VanDerWaalsContact O-N 3.12Å; T111-E115 WeakPolarHBondContact CA-O 3.39Å; T111-E115 PolarHBondContact N-O 3.27Å
112N85.6Confident90.4Very high109 Ų10968.5 Ų68.558%0.58337%0.371SS*.Hα-helixtrans-68.3-29175.8-71.1-34.7000112.6H108 V109 M110 G114H108-N112 PolarHBondContact CD2-ND2 2.94Å; H108-N112 PolarHBondContact NE2-ND2 3.3Å; H108-N112 PolarHBondContact O-N 3.43Å; H108-N112 VanDerWaalsContact O-N 3.11Å; H108-N112 PolarHBondContact O-ND2 3.45Å; H108-N112 VanDerWaalsContact O-ND2 3.16Å; V109-N112 WeakPolarHBondContact O-CB 3.47Å; V109-N112 PolarHBondContact O-N 3.39Å; M110-N112 VanDerWaalsContact C-N 3.32Å; M110-N112 PolarHBondContact O-N 2.94Å; N112-G114 PolarHBondContact O-N 2.78Å
113L86.4Confident90.3Very high122 Ų12271.1 Ų71.164%0.63938%0.383SS*.THydrogen-bonded Turntrans-75.5-5.4172.6-67172.1000113V109 M110 T111V109-L113 HydrophobicContact CG1-CD1 4.22Å; V109-L113 WeakPolarHBondContact O-CG 3.26Å; V109-L113 PolarHBondContact O-N 2.71Å; M110-L113 CarbonylContact O-C 3.59Å; M110-L113 WeakPolarHBondContact O-CB 3.25Å; M110-L113 PolarHBondContact O-N 2.9Å; M110-L113 VanDerWaalsContact O-N 3.09Å; M110-L113 HydrophobicContact SD-CD1 4.18Å; T111-L113 VanDerWaalsContact C-N 3.3Å; T111-L113 PolarHBondContact O-N 3.04Å
114G86.4Confident90.3Very high58 Ų5875.4 Ų75.460%0.59840%0.398SS*.THydrogen-bonded Turntrans94.1-2.3179.800000114.2M110 T111 N112M110-G114 PolarHBondContact O-N 2.93Å; T111-G114 PolarHBondContact O-N 3.04Å; T111-G114 VanDerWaalsContact O-N 3.12Å; N112-G114 PolarHBondContact O-N 2.78Å
115E88.7Confident90.1Very high114 Ų11475.8 Ų75.853%0.53339%0.392SS..  trans-88.8115.9177-66.8-61.2156.800110.1M110 T111 L117M110-E115 CarbonylContact C-O 3.59Å; M110-E115 HydrophobicContact CB-CB 4.44Å; M110-E115 HydrophobicContact CE-CB 4.03Å; M110-E115 HydrophobicContact CE-CG 4.21Å; M110-E115 PolarHBondContact O-N 3.36Å; T111-E115 WeakPolarHBondContact CA-O 3.39Å; T111-E115 PolarHBondContact N-O 3.27Å; E115-L117 PolarHBondContact O-N 2.85Å
116K87.2Confident90.1Very high184 Ų18475.4 Ų75.480%0.839%0.391SS*.  trans-95.192176.9-71-174.4-178.6179.80109.7
117L88.6Confident90.1Very high36 Ų3684 Ų8419%0.18842%0.422CS..  trans-82.7140.1172.8-56.3177.9000110.5M110 E115 E121 V122 M125M110-L117 HydrophobicContact CB-CD1 3.83Å; M110-L117 HydrophobicContact CB-CG 4.3Å; M110-L117 HydrophobicContact CE-CD1 3.94Å; M110-L117 HydrophobicContact CG-CD1 3.73Å; E115-L117 PolarHBondContact O-N 2.85Å; L117-E121 WeakPolarHBondContact CA-OE2 3.38Å; L117-E121 HydrophobicContact CB-CB 4.24Å; L117-E121 HydrophobicContact CD2-CB 4.37Å; L117-V122 HydrophobicContact CB-CG2 3.69Å; L117-V122 HydrophobicContact CD1-CG2 4.11Å; L117-M125 HydrophobicContact CD1-SD 3.63Å
118T91.7Very high90Very high77 Ų7787 Ų8747%0.47244%0.441SS..  trans-72.4160.616659.60000110.4D120 E121 V122T118-D120 PolarHBondContact O-N 3.12Å; T118-E121 WeakPolarHBondContact CB-OE2 3.01Å; T118-E121 PolarHBondContact N-OE2 3.36Å; T118-E121 PolarHBondContact O-N 2.98Å; T118-E121 VanDerWaalsContact OG1-CG 3.31Å; T118-E121 WeakPolarHBondContact OG1-CG 3.39Å; T118-E121 PolarHBondContact OG1-N 3.26Å; T118-E121 PolarHBondContact OG1-OE2 3.44Å; T118-V122 WeakPolarHBondContact O-CG2 3.32Å; T118-V122 PolarHBondContact O-N 2.84Å; T118-V122 VanDerWaalsContact O-N 3.1Å
119D90.4Very high90Very high96 Ų9682.7 Ų82.751%0.51342%0.422SS..Hα-helixtrans-59.8-36.7177.4-68.9-35.2000111.2R107 E121 V122 D123R107-D119 IonicContact CZ-OD1 3.83Å; R107-D119 IonicContact NH1-OD1 2.93Å; R107-D119 PolarHBondContact NH1-OD1 3.18Å; D119-E121 PolarHBondContact O-N 3.47Å; D119-V122 PolarHBondContact O-N 3.45Å; D119-D123 WeakPolarHBondContact O-CB 3.44Å; D119-D123 VanDerWaalsContact O-CG 3.3Å; D119-D123 PolarHBondContact O-N 3.27Å
120D92.8Very high90.2Very high130 Ų13083.7 Ų83.770%0.69543%0.427SS*.Hα-helixtrans-63.7-40.1176.7-67.7-25.4000112.5T118 D123 E124T118-D120 PolarHBondContact O-N 3.12Å; D120-D123 PolarHBondContact O-N 2.89Å; D120-E124 WeakPolarHBondContact O-CB 3.49Å; D120-E124 PolarHBondContact O-N 2.9Å
121E92.1Very high90.2Very high84 Ų8487.9 Ų87.939%0.39345%0.449SS..Hα-helixtrans-68.1-38.4177.1-74.6164.4138.900111.7L117 T118 D119 E124 M125L117-E121 WeakPolarHBondContact CA-OE2 3.38Å; L117-E121 HydrophobicContact CB-CB 4.24Å; L117-E121 HydrophobicContact CD2-CB 4.37Å; T118-E121 WeakPolarHBondContact CB-OE2 3.01Å; T118-E121 PolarHBondContact N-OE2 3.36Å; T118-E121 PolarHBondContact O-N 2.98Å; T118-E121 VanDerWaalsContact OG1-CG 3.31Å; T118-E121 WeakPolarHBondContact OG1-CG 3.39Å; T118-E121 PolarHBondContact OG1-N 3.26Å; T118-E121 PolarHBondContact OG1-OE2 3.44Å; D119-E121 PolarHBondContact O-N 3.47Å; E121-E124 PolarHBondContact O-N 3Å; E121-M125 WeakPolarHBondContact O-CG 3.26Å; E121-M125 PolarHBondContact O-N 3.1Å
122V92.2Very high90.4Very high0 Ų089.4 Ų89.40%045%0.454CS..Hα-helixtrans-66.4-44.5176.1175.10000110.4A103 L106 R107 L117 T118 D119 E124 M125 I126A103-V122 HydrophobicContact CB-CG1 3.79Å; A103-V122 VanDerWaalsContact O-CG1 3.31Å; A103-V122 WeakPolarHBondContact O-CG1 3.43Å; L106-V122 HydrophobicContact CB-CG1 4.45Å; L106-V122 HydrophobicContact CD2-CG1 4.22Å; R107-V122 HydrophobicContact CB-CG1 4.39Å; R107-V122 HydrophobicContact CB-CG2 3.93Å; R107-V122 HydrophobicContact CG-CG2 4.16Å; L117-V122 HydrophobicContact CB-CG2 3.69Å; L117-V122 HydrophobicContact CD1-CG2 4.11Å; T118-V122 WeakPolarHBondContact O-CG2 3.32Å; T118-V122 PolarHBondContact O-N 2.84Å; T118-V122 VanDerWaalsContact O-N 3.1Å; D119-V122 PolarHBondContact O-N 3.45Å; V122-E124 VanDerWaalsContact C-N 3.29Å; V122-E124 PolarHBondContact O-N 3.39Å; V122-M125 PolarHBondContact O-N 3.14Å; V122-I126 WeakPolarHBondContact O-CG1 3.41Å; V122-I126 PolarHBondContact O-N 2.8Å
123D92.1Very high90.7Very high81 Ų8187 Ų8743%0.43346%0.455SS..Hα-helixtrans-64.7-33.9178.1-74.5-13.1000111.9D119 D120 R127D119-D123 WeakPolarHBondContact O-CB 3.44Å; D119-D123 VanDerWaalsContact O-CG 3.3Å; D119-D123 PolarHBondContact O-N 3.27Å; D120-D123 PolarHBondContact O-N 2.89Å; D123-R127 VanDerWaalsContact O-CB 3.3Å; D123-R127 WeakPolarHBondContact O-CB 3.42Å; D123-R127 PolarHBondContact O-N 2.99Å
124E92.2Very high91Very high114 Ų11485.1 Ų85.153%0.53345%0.445SS..Hα-helixtrans-65.2-47.9172.8-173.1168.3-155.500111.2D120 E121 V122 I126 R127 E128D120-E124 WeakPolarHBondContact O-CB 3.49Å; D120-E124 PolarHBondContact O-N 2.9Å; E121-E124 PolarHBondContact O-N 3Å; V122-E124 VanDerWaalsContact C-N 3.29Å; V122-E124 PolarHBondContact O-N 3.39Å; E124-I126 PolarHBondContact O-N 2.9Å; E124-R127 PolarHBondContact O-N 2.94Å; E124-E128 WeakPolarHBondContact O-CG 3.43Å; E124-E128 PolarHBondContact O-N 2.66Å
125M90.4Very high91.3Very high58 Ų5884.3 Ų84.329%0.28644%0.438SS..Hα-helixtrans-59.2-43.4176.9-71.8-179.274.900112.8L106 L117 E121 V122 E128 A129L106-M125 HydrophobicContact CD1-CE 4.41Å; L106-M125 HydrophobicContact CD2-CB 3.93Å; L106-M125 HydrophobicContact CD2-CE 4.32Å; L106-M125 HydrophobicContact CD2-SD 4.29Å; L117-M125 HydrophobicContact CD1-SD 3.63Å; E121-M125 WeakPolarHBondContact O-CG 3.26Å; E121-M125 PolarHBondContact O-N 3.1Å; V122-M125 PolarHBondContact O-N 3.14Å; M125-E128 PolarHBondContact O-N 2.95Å; M125-A129 PolarHBondContact O-N 2.92Å
126I92.7Very high91.6Very high11 Ų1182 Ų826%0.05643%0.427CS..Hα-helixtrans-63.6-48176.7-65.4-68.1000109.6A103 L106 V122 E124 E128 A129 D130 V137A103-I126 HydrophobicContact CB-CG1 4.15Å; L106-I126 HydrophobicContact CB-CD1 4.5Å; L106-I126 HydrophobicContact CD2-CD1 3.77Å; L106-I126 HydrophobicContact CD2-CG1 4.06Å; V122-I126 WeakPolarHBondContact O-CG1 3.41Å; V122-I126 PolarHBondContact O-N 2.8Å; E124-I126 PolarHBondContact O-N 2.9Å; I126-E128 VanDerWaalsContact C-N 3.25Å; I126-E128 PolarHBondContact O-N 3.4Å; I126-A129 PolarHBondContact O-N 3.34Å; I126-D130 HydrophobicContact CG2-CB 4.32Å; I126-D130 WeakPolarHBondContact O-CB 3.33Å; I126-D130 PolarHBondContact O-N 3.27Å; I126-V137 HydrophobicContact CD1-CG2 3.65Å; I126-V137 HydrophobicContact CG2-CG2 4.35Å
127R92Very high92Very high191 Ų19173.5 Ų73.572%0.72139%0.39SS*.Hα-helixtrans-61.2-32.3-179.1-173.3-175.1-64.21486.1113.4D123 E124 A129D123-R127 VanDerWaalsContact O-CB 3.3Å; D123-R127 WeakPolarHBondContact O-CB 3.42Å; D123-R127 PolarHBondContact O-N 2.99Å; E124-R127 PolarHBondContact O-N 2.94Å; R127-A129 VanDerWaalsContact C-N 3.3Å
128E90.5Very high92.3Very high156 Ų15673.2 Ų73.273%0.72939%0.389SS*.Hα-helixtrans-70.8-28.6176.4-73.7-171.716100112.8E124 M125 I126E124-E128 WeakPolarHBondContact O-CG 3.43Å; E124-E128 PolarHBondContact O-N 2.66Å; M125-E128 PolarHBondContact O-N 2.95Å; I126-E128 VanDerWaalsContact C-N 3.25Å; I126-E128 PolarHBondContact O-N 3.4Å
129A90Very high92.3Very high7 Ų771.9 Ų71.96%0.05838%0.375CS..Hα-helixtrans-97-31-17700000114M125 I126 R127 I131 V137 E141 M145M125-A129 PolarHBondContact O-N 2.92Å; I126-A129 PolarHBondContact O-N 3.34Å; R127-A129 VanDerWaalsContact C-N 3.3Å; A129-I131 PolarHBondContact O-N 2.86Å; A129-V137 HydrophobicContact CB-CG1 4.16Å; A129-V137 HydrophobicContact CB-CG2 3.73Å; A129-E141 VanDerWaalsContact O-CB 3.32Å; A129-E141 WeakPolarHBondContact O-CB 3.24Å; A129-E141 WeakPolarHBondContact O-CG 3.19Å; A129-M145 HydrophobicContact CB-CE 3.29Å
130D92.9Very high92.3Very high29 Ų2973.4 Ų73.416%0.15538%0.379CS..  trans-70.992.7-179.9178.812.4000110.1I126 G133 D134 G135I126-D130 HydrophobicContact CG2-CB 4.32Å; I126-D130 WeakPolarHBondContact O-CB 3.33Å; I126-D130 PolarHBondContact O-N 3.27Å; D130-G133 WeakPolarHBondContact OD1-CA 3.15Å; D130-G133 PolarHBondContact OD1-N 2.82Å; D130-G133 WeakPolarHBondContact OD2-CA 3.36Å; D130-D134 PolarHBondContact OD1-N 2.73Å; D130-D134 VanDerWaalsContact OD1-N 3.12Å; D130-D134 PolarHBondContact OD2-N 3.18Å; D130-G135 VanDerWaalsContact OD2-CA 3.3Å; D130-G135 WeakPolarHBondContact OD2-CA 3.47Å; D130-G135 PolarHBondContact OD2-N 3.24Å
131I91.3Very high92.3Very high123 Ų12367.5 Ų67.563%0.63135%0.348SS*.SBendtrans-81.2-35.6-177.1-65.9170.6000109.9A129 E141 T144A129-I131 PolarHBondContact O-N 2.86Å; I131-E141 HydrophobicContact CB-CG 4.2Å; I131-E141 HydrophobicContact CD1-CG 4.24Å; I131-E141 HydrophobicContact CG1-CG 4.25Å; I131-E141 PolarHBondContact N-OE1 2.82Å; I131-T144 HydrophobicContact CD1-CG2 4.31Å
132D92.8Very high92.2Very high98 Ų9863.9 Ų63.952%0.52433%0.331SS..SBendtrans-86.3-15.9-178.374.922.7000114.3D134 E141D132-D134 WeakPolarHBondContact OD1-CB 3.32Å; D132-D134 PolarHBondContact OD1-N 2.94Å; D132-E141 PolarHBondContact N-OE1 2.77Å; D132-E141 VanDerWaalsContact N-OE1 3.12Å
133G91.3Very high92Very high58 Ų5865.3 Ų65.360%0.59834%0.339SS*.  trans82.722.7173.700000114.3D130 G135D130-G133 WeakPolarHBondContact OD1-CA 3.15Å; D130-G133 PolarHBondContact OD1-N 2.82Å; D130-G133 WeakPolarHBondContact OD2-CA 3.36Å; G133-G135 VanDerWaalsContact C-N 3.29Å
134D93.6Very high91.6Very high82 Ų8264.4 Ų64.444%0.43934%0.337SS..SBendtrans-80.9-7.5-179.384.3-0.8000114.2D130 D132 Q136D130-D134 PolarHBondContact OD1-N 2.73Å; D130-D134 VanDerWaalsContact OD1-N 3.12Å; D130-D134 PolarHBondContact OD2-N 3.18Å; D132-D134 WeakPolarHBondContact OD1-CB 3.32Å; D132-D134 PolarHBondContact OD1-N 2.94Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.33Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.41Å; D134-Q136 PolarHBondContact OD1-N 3.49Å
135G92.9Very high91.2Very high42 Ų4262.2 Ų62.243%0.43333%0.327SS..SBendtrans84.311179.800000114.3D130 G133D130-G135 VanDerWaalsContact OD2-CA 3.3Å; D130-G135 WeakPolarHBondContact OD2-CA 3.47Å; D130-G135 PolarHBondContact OD2-N 3.24Å; G133-G135 VanDerWaalsContact C-N 3.29Å
136Q94.5Very high90.6Very high66 Ų6663.8 Ų63.831%0.30834%0.335SS..SBendtrans-132.8172.9174.6-54.3-170.5-11.400109.4F100 D134F100-Q136 HydrophobicContact CB-CB 4.11Å; F100-Q136 VanDerWaalsContact CB-OE1 3.28Å; F100-Q136 HydrophobicContact CD1-CB 4.35Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.33Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.41Å; D134-Q136 PolarHBondContact OD1-N 3.49Å
137V95Very high89.6Confident4 Ų467.1 Ų67.12%0.02436%0.356CS..EExtended strand (participates in β ladder)trans-116.9113.2178179.50000109F100 I101 I126 A129 E141 F142F100-V137 CarbonylContact C-O 3.15Å; F100-V137 WeakPolarHBondContact CA-O 3.47Å; I101-V137 HydrophobicContact CB-CB 4.3Å; I101-V137 PolarHBondContact N-O 3.34Å; I101-V137 PolarHBondContact O-N 3Å; I126-V137 HydrophobicContact CD1-CG2 3.65Å; I126-V137 HydrophobicContact CG2-CG2 4.35Å; A129-V137 HydrophobicContact CB-CG1 4.16Å; A129-V137 HydrophobicContact CB-CG2 3.73Å; V137-E141 WeakPolarHBondContact CA-OE2 3.45Å; V137-E141 HydrophobicContact CG1-CB 3.76Å; V137-F142 HydrophobicContact CG1-CB 3.96Å
138N94.9Very high88.3Confident30 Ų3062.9 Ų62.916%0.1635%0.352CS..EExtended strand (participates in β ladder)trans-79.4173.3173.970.654000111.6F100 E140 E141 F142F100-N138 HydrophobicContact CD1-CB 3.81Å; F100-N138 HydrophobicContact CE1-CB 3.8Å; N138-E140 PolarHBondContact O-N 2.97Å; N138-E140 WeakPolarHBondContact OD1-CB 3.47Å; N138-E140 PolarHBondContact OD1-N 2.77Å; N138-E141 PolarHBondContact N-OE2 3.28Å; N138-E141 PolarHBondContact ND2-OE2 2.65Å; N138-E141 PolarHBondContact O-N 3.36Å; N138-E141 PolarHBondContact OD1-N 2.69Å; N138-F142 WeakPolarHBondContact O-CB 3.44Å; N138-F142 PolarHBondContact O-N 3.19Å
139Y92Very high85.9Confident49 Ų4968.3 Ų68.319%0.19237%0.373CS..Hα-helixtrans-58.4-42.3-177.6179.1-102.2000113.6R87 F90 F142 V143R87-Y139 HydrophobicContact CB-CE2 4.08Å; R87-Y139 HydrophobicContact CG-CE2 4.34Å; R87-Y139 PolarHBondContact NH2-OH 3.02Å; F90-Y139 HydrophobicContact CB-CD2 4.17Å; F90-Y139 HydrophobicContact CB-CE2 4.48Å; F90-Y139 HydrophobicContact CD1-CD2 4.24Å; F90-Y139 HydrophobicContact CD2-CD2 4.12Å; F90-Y139 AromaticContact CG-CD2 3.9Å; F90-Y139 HydrophobicContact CG-CD2 3.9Å; Y139-F142 PolarHBondContact O-N 3.4Å; Y139-V143 HydrophobicContact CD1-CG2 4.02Å; Y139-V143 HydrophobicContact CD2-CG2 4.36Å; Y139-V143 HydrophobicContact CE1-CG2 3.61Å; Y139-V143 HydrophobicContact CE2-CG2 3.97Å; Y139-V143 HydrophobicContact CG-CG2 4.39Å; Y139-V143 WeakPolarHBondContact O-CB 3.46Å; Y139-V143 WeakPolarHBondContact O-CG2 3.29Å; Y139-V143 PolarHBondContact O-N 3.29Å
140E91Very high85.7Confident128 Ų12871.4 Ų71.460%0.59839%0.388SS*.Hα-helixtrans-68.7-37.3-177.7-63.1-62.6145.300111.7N138 V143 T144N138-E140 PolarHBondContact O-N 2.97Å; N138-E140 WeakPolarHBondContact OD1-CB 3.47Å; N138-E140 PolarHBondContact OD1-N 2.77Å; E140-V143 PolarHBondContact O-N 2.77Å; E140-T144 WeakPolarHBondContact O-CB 3.08Å; E140-T144 PolarHBondContact O-N 3.02Å; E140-T144 PolarHBondContact O-OG1 2.86Å
141E92.5Very high85.3Confident7 Ų773.6 Ų73.63%0.03340%0.401CS..Hα-helixtrans-65.4-43.9173.5-72.2169.8156.200111.4A129 I131 D132 V137 N138 T144 M145A129-E141 VanDerWaalsContact O-CB 3.32Å; A129-E141 WeakPolarHBondContact O-CB 3.24Å; A129-E141 WeakPolarHBondContact O-CG 3.19Å; I131-E141 HydrophobicContact CB-CG 4.2Å; I131-E141 HydrophobicContact CD1-CG 4.24Å; I131-E141 HydrophobicContact CG1-CG 4.25Å; I131-E141 PolarHBondContact N-OE1 2.82Å; D132-E141 PolarHBondContact N-OE1 2.77Å; D132-E141 VanDerWaalsContact N-OE1 3.12Å; V137-E141 WeakPolarHBondContact CA-OE2 3.45Å; V137-E141 HydrophobicContact CG1-CB 3.76Å; N138-E141 PolarHBondContact N-OE2 3.28Å; N138-E141 PolarHBondContact ND2-OE2 2.65Å; N138-E141 PolarHBondContact O-N 3.36Å; N138-E141 PolarHBondContact OD1-N 2.69Å; E141-T144 PolarHBondContact O-N 2.87Å; E141-M145 WeakPolarHBondContact O-CB 3.39Å; E141-M145 PolarHBondContact O-N 2.8Å
142F90.1Very high85Confident8 Ų870.8 Ų70.84%0.03539%0.388CS..Hα-helixtrans-63.1-42.6175.3-172-99.1000112.2I86 A89 F90 F93 I101 V137 N138 Y139 M145 M146I86-F142 HydrophobicContact CG2-CD1 3.75Å; I86-F142 HydrophobicContact CG2-CE1 3.92Å; A89-F142 HydrophobicContact CB-CE1 4.11Å; A89-F142 HydrophobicContact CB-CZ 4.17Å; F90-F142 HydrophobicContact CB-CD1 4.06Å; F90-F142 HydrophobicContact CB-CE1 4.17Å; F90-F142 HydrophobicContact CD2-CB 3.65Å; F90-F142 AromaticContact CD2-CD1 3.78Å; F90-F142 HydrophobicContact CD2-CD1 3.78Å; F90-F142 HydrophobicContact CD2-CD2 4.33Å; F90-F142 AromaticContact CD2-CG 3.67Å; F90-F142 HydrophobicContact CD2-CG 3.67Å; F90-F142 HydrophobicContact CE2-CB 3.94Å; F90-F142 HydrophobicContact CE2-CG 4.35Å; F90-F142 HydrophobicContact CG-CD1 4.43Å; F93-F142 AromaticContact CD2-CE2 3.89Å; F93-F142 HydrophobicContact CD2-CE2 3.89Å; F93-F142 AromaticContact CD2-CZ 3.85Å; F93-F142 HydrophobicContact CD2-CZ 3.85Å; F93-F142 HydrophobicContact CE2-CE2 4.04Å; F93-F142 AromaticContact CE2-CZ 3.93Å; F93-F142 HydrophobicContact CE2-CZ 3.93Å; I101-F142 HydrophobicContact CD1-CD2 3.53Å; I101-F142 HydrophobicContact CD1-CE2 3.86Å; I101-F142 HydrophobicContact CD1-CG 4.12Å; V137-F142 HydrophobicContact CG1-CB 3.96Å; N138-F142 WeakPolarHBondContact O-CB 3.44Å; N138-F142 PolarHBondContact O-N 3.19Å; Y139-F142 PolarHBondContact O-N 3.4Å; F142-M145 WeakPolarHBondContact O-CB 3.16Å; F142-M145 PolarHBondContact O-N 3.09Å; F142-M146 HydrophobicContact CD1-CG 4.21Å; F142-M146 HydrophobicContact CE1-CG 3.88Å; F142-M146 HydrophobicContact CZ-CG 4.13Å; F142-M146 HydrophobicContact CZ-SD 4.45Å; F142-M146 WeakPolarHBondContact O-CG 3.11Å; F142-M146 PolarHBondContact O-N 2.88Å
143V86.9Confident84.5Confident30 Ų3069.2 Ų69.218%0.18238%0.38CS..Hα-helixtrans-60.9-45.9173.6170.80000110.3I86 Y139 E140 M145 M146 T147I86-V143 HydrophobicContact CG2-CB 4.47Å; I86-V143 HydrophobicContact CG2-CG2 3.68Å; Y139-V143 HydrophobicContact CD1-CG2 4.02Å; Y139-V143 HydrophobicContact CD2-CG2 4.36Å; Y139-V143 HydrophobicContact CE1-CG2 3.61Å; Y139-V143 HydrophobicContact CE2-CG2 3.97Å; Y139-V143 HydrophobicContact CG-CG2 4.39Å; Y139-V143 WeakPolarHBondContact O-CB 3.46Å; Y139-V143 WeakPolarHBondContact O-CG2 3.29Å; Y139-V143 PolarHBondContact O-N 3.29Å; E140-V143 PolarHBondContact O-N 2.77Å; V143-M145 VanDerWaalsContact C-N 3.33Å; V143-M145 PolarHBondContact O-N 2.79Å; V143-M146 PolarHBondContact O-N 3.36Å; V143-T147 HydrophobicContact CG1-CG2 4.02Å; V143-T147 WeakPolarHBondContact O-CB 3.37Å; V143-T147 VanDerWaalsContact O-CG2 3.29Å; V143-T147 WeakPolarHBondContact O-CG2 3.29Å; V143-T147 PolarHBondContact O-N 2.79Å; V143-T147 PolarHBondContact O-OG1 3.31Å
144T84.5Confident84.1Confident61 Ų6169.9 Ų69.937%0.37437%0.366SS..Hα-helixtrans-60.3-43.8178-59.10000111.1I131 E140 E141 M146 T148I131-T144 HydrophobicContact CD1-CG2 4.31Å; E140-T144 WeakPolarHBondContact O-CB 3.08Å; E140-T144 PolarHBondContact O-N 3.02Å; E140-T144 PolarHBondContact O-OG1 2.86Å; E141-T144 PolarHBondContact O-N 2.87Å; T144-M146 PolarHBondContact O-N 2.95Å; T144-T148 VanDerWaalsContact O-CB 3.25Å; T144-T148 WeakPolarHBondContact O-CB 3.31Å; T144-T148 PolarHBondContact O-N 2.73Å; T144-T148 PolarHBondContact O-OG1 3.44Å
145M82.6Confident83.5Confident69 Ų6969.1 Ų69.134%0.3436%0.361SS..Hα-helixtrans-59.3-44.6174.8-175-149.7-7200112.1A129 E141 F142 V143A129-M145 HydrophobicContact CB-CE 3.29Å; E141-M145 WeakPolarHBondContact O-CB 3.39Å; E141-M145 PolarHBondContact O-N 2.8Å; F142-M145 WeakPolarHBondContact O-CB 3.16Å; F142-M145 PolarHBondContact O-N 3.09Å; V143-M145 VanDerWaalsContact C-N 3.33Å; V143-M145 PolarHBondContact O-N 2.79Å
146M78.8Confident82.8Confident91 Ų9171.1 Ų71.145%0.44836%0.356SS..Hα-helixtrans-75.3-32-177.5-71.4-66.810600113.6I86 F142 V143 T144I86-M146 HydrophobicContact CD1-CB 3.95Å; I86-M146 HydrophobicContact CG1-CB 4.01Å; I86-M146 HydrophobicContact CG1-CG 4.34Å; F142-M146 HydrophobicContact CD1-CG 4.21Å; F142-M146 HydrophobicContact CE1-CG 3.88Å; F142-M146 HydrophobicContact CZ-CG 4.13Å; F142-M146 HydrophobicContact CZ-SD 4.45Å; F142-M146 WeakPolarHBondContact O-CG 3.11Å; F142-M146 PolarHBondContact O-N 2.88Å; V143-M146 PolarHBondContact O-N 3.36Å; T144-M146 PolarHBondContact O-N 2.95Å
147T71.2Confident81.9Confident80 Ų8071.5 Ų71.549%0.49136%0.36SS..Hα-helixtrans-92.9-18.9-174.4570000113.9I86 V143 K149I86-T147 HydrophobicContact CD1-CG2 3.86Å; V143-T147 HydrophobicContact CG1-CG2 4.02Å; V143-T147 WeakPolarHBondContact O-CB 3.37Å; V143-T147 VanDerWaalsContact O-CG2 3.29Å; V143-T147 WeakPolarHBondContact O-CG2 3.29Å; V143-T147 PolarHBondContact O-N 2.79Å; V143-T147 PolarHBondContact O-OG1 3.31Å; T147-K149 PolarHBondContact O-N 2.88Å
148T64.6Low80.8Confident103 Ų10377.1 Ų77.163%0.63239%0.388SS*.  trans-73.391.6174.2-57.90000110T144T144-T148 VanDerWaalsContact O-CB 3.25Å; T144-T148 WeakPolarHBondContact O-CB 3.31Å; T144-T148 PolarHBondContact O-N 2.73Å; T144-T148 PolarHBondContact O-OG1 3.44Å
149K40.9Very low79.6Confident269 Ų26981.4 Ų81.4100%1.1741%0.409SS*.  trans-135.30163.2-77-172.6-1781710111.2T147T147-K149 PolarHBondContact O-N 2.88Å

Retrieved 149 of 149 residues in 37.9 ms (Link to these results)

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