A0A3Q0KDL0_SCHMA Loading...

Calmodulin

AlphaFold DB (E9LZR7), UniProt , Accession A0A3Q0KDL0, 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
1M48.2Very low68.6Low152 Ų152100.9 Ų100.975%0.74953%0.528SS*.  0-42.50-85.1-177.9176.900110.8D3 Q4 T71M1-D3 PolarHBondContact N-OD2 2.91Å; M1-D3 PolarHBondContact O-N 2.78Å; M1-D3 VanDerWaalsContact O-N 3.09Å; M1-Q4 PolarHBondContact O-N 2.93Å; M1-T71 HydrophobicContact SD-CG2 4.33Å
2A49Very low69.8Low43 Ų43102.9 Ų102.936%0.35553%0.532SS..G310 helixtrans-51.7-24.8163.100000113.4Q4 L5 L70A2-Q4 PolarHBondContact O-N 2.94Å; A2-L5 PolarHBondContact O-N 3.37Å; A2-L70 HydrophobicContact CB-CD1 4.17Å
3D52Low70.9Confident150 Ų15095.7 Ų95.780%0.80249%0.494SS*.G310 helixtrans-69.4-8.4179.7-39.6-82000115.3M1M1-D3 PolarHBondContact N-OD2 2.91Å; M1-D3 PolarHBondContact O-N 2.78Å; M1-D3 VanDerWaalsContact O-N 3.09Å
4Q59Low72.1Confident171 Ų17198.7 Ų98.780%0.79950%0.502SS*.G310 helixtrans-96.9-8.9177.5-69.3-173.4-15.500113.3M1 A2M1-Q4 PolarHBondContact O-N 2.93Å; A2-Q4 PolarHBondContact O-N 2.94Å
5L68.8Low73.1Confident25 Ų25101.5 Ų101.513%0.13151%0.512CS..SBendtrans-91.5138.1-179.3-62.6173.8000109.9A2 Q9 I10 F13 L70A2-L5 PolarHBondContact O-N 3.37Å; L5-Q9 HydrophobicContact CB-CB 4.24Å; L5-Q9 HydrophobicContact CD2-CB 4.31Å; L5-I10 HydrophobicContact CB-CD1 4.25Å; L5-I10 HydrophobicContact CB-CG1 3.74Å; L5-I10 HydrophobicContact CD1-CG1 4.48Å; L5-F13 HydrophobicContact CD1-CD2 3.83Å; L5-F13 HydrophobicContact CD1-CE2 3.68Å; L5-F13 HydrophobicContact CD2-CE2 3.93Å; L5-F13 HydrophobicContact CG-CE2 4.41Å; L5-L70 HydrophobicContact CD1-CD2 3.91Å
6T77.1Confident73.9Confident74 Ų7496.8 Ų96.845%0.45449%0.494SS..  trans-67.5158171.460.60000110.7E8 Q9 I10T6-E8 PolarHBondContact O-N 3.11Å; T6-Q9 PolarHBondContact O-N 2.88Å; T6-Q9 VanDerWaalsContact O-N 3.14Å; T6-Q9 VanDerWaalsContact OG1-CG 3.3Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.37Å; T6-Q9 PolarHBondContact OG1-N 2.69Å; T6-Q9 PolarHBondContact OG1-OE1 3.16Å; T6-Q9 VanDerWaalsContact OG1-OE1 3.05Å; T6-I10 WeakPolarHBondContact O-CG1 3.39Å; T6-I10 PolarHBondContact O-N 3.05Å
7E80.9Confident74.8Confident178 Ų17891.8 Ų91.883%0.83247%0.468SS*.Hα-helixtrans-57.1-33175.1-66.3-172.7140.600112A11E7-A11 WeakPolarHBondContact O-CB 3.39Å; E7-A11 PolarHBondContact O-N 3.19Å
8E78.7Confident75.6Confident153 Ų15390.7 Ų90.772%0.71547%0.47SS*.Hα-helixtrans-65.5-49.1175.2-65.4179.6165.300111.4T6 I10 A11 E12T6-E8 PolarHBondContact O-N 3.11Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 2.87Å; E8-A11 WeakPolarHBondContact O-CB 3.32Å; E8-A11 PolarHBondContact O-N 2.77Å; E8-A11 VanDerWaalsContact O-N 3.16Å; E8-E12 PolarHBondContact O-N 2.84Å
9Q74Confident76.2Confident61 Ų6191.4 Ų91.429%0.28547%0.474SS..Hα-helixtrans-61.6-40.9175.7-73.9169.1-5000112.2L5 T6 A11 E12 F13L5-Q9 HydrophobicContact CB-CB 4.24Å; L5-Q9 HydrophobicContact CD2-CB 4.31Å; T6-Q9 PolarHBondContact O-N 2.88Å; T6-Q9 VanDerWaalsContact O-N 3.14Å; T6-Q9 VanDerWaalsContact OG1-CG 3.3Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.37Å; T6-Q9 PolarHBondContact OG1-N 2.69Å; T6-Q9 PolarHBondContact OG1-OE1 3.16Å; T6-Q9 VanDerWaalsContact OG1-OE1 3.05Å; Q9-A11 VanDerWaalsContact C-N 3.3Å; Q9-A11 PolarHBondContact O-N 3.41Å; Q9-E12 PolarHBondContact O-N 3.08Å; Q9-F13 HydrophobicContact CB-CE2 4.35Å; Q9-F13 WeakPolarHBondContact O-CD2 3.13Å; Q9-F13 WeakPolarHBondContact O-CG 3.19Å; Q9-F13 PolarHBondContact O-N 2.86Å
10I81.7Confident76.7Confident54 Ų5488.8 Ų88.828%0.27746%0.459SS..Hα-helixtrans-62.6-39.9176.5-66.3169.9000110.5L5 T6 E8 F13 K14 F66L5-I10 HydrophobicContact CB-CD1 4.25Å; L5-I10 HydrophobicContact CB-CG1 3.74Å; L5-I10 HydrophobicContact CD1-CG1 4.48Å; T6-I10 WeakPolarHBondContact O-CG1 3.39Å; T6-I10 PolarHBondContact O-N 3.05Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 2.87Å; I10-F13 PolarHBondContact O-N 3.46Å; I10-K14 WeakPolarHBondContact O-CB 3.37Å; I10-K14 PolarHBondContact O-N 2.78Å; I10-F66 HydrophobicContact CG2-CE1 4.3Å; I10-F66 HydrophobicContact CG2-CZ 4.21Å
11A84.7Confident77.4Confident49 Ų4985.4 Ų85.441%0.40544%0.441SS..Hα-helixtrans-64.1-45.3176.700000111.7E7 E8 Q9 F13 K14 E15E7-A11 WeakPolarHBondContact O-CB 3.39Å; E7-A11 PolarHBondContact O-N 3.19Å; E8-A11 WeakPolarHBondContact O-CB 3.32Å; E8-A11 PolarHBondContact O-N 2.77Å; E8-A11 VanDerWaalsContact O-N 3.16Å; Q9-A11 VanDerWaalsContact C-N 3.3Å; Q9-A11 PolarHBondContact O-N 3.41Å; A11-F13 VanDerWaalsContact C-N 3.35Å; A11-F13 PolarHBondContact O-N 3.06Å; A11-K14 WeakPolarHBondContact O-CB 3.46Å; A11-K14 PolarHBondContact O-N 3.15Å; A11-K14 VanDerWaalsContact O-N 3.15Å; A11-E15 PolarHBondContact O-N 3.37Å
12E83.5Confident79.3Confident125 Ų12584.1 Ų84.158%0.58443%0.432SS*.Hα-helixtrans-59.7-44175.1-70.8-179.4-178.500111.9E8 Q9 K14 E15 A16E8-E12 PolarHBondContact O-N 2.84Å; Q9-E12 PolarHBondContact O-N 3.08Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.3Å; E12-E15 PolarHBondContact O-N 3.04Å; E12-A16 PolarHBondContact O-N 2.98Å
13F84.8Confident81.3Confident9 Ų987.6 Ų87.64%0.03944%0.444CS..Hα-helixtrans-66.9-31.2176.4-71.1-47.6000113.2L5 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 3.93Å; L5-F13 HydrophobicContact CG-CE2 4.41Å; Q9-F13 HydrophobicContact CB-CE2 4.35Å; Q9-F13 WeakPolarHBondContact O-CD2 3.13Å; Q9-F13 WeakPolarHBondContact O-CG 3.19Å; Q9-F13 PolarHBondContact O-N 2.86Å; I10-F13 PolarHBondContact O-N 3.46Å; A11-F13 VanDerWaalsContact C-N 3.35Å; A11-F13 PolarHBondContact O-N 3.06Å; F13-A16 PolarHBondContact O-N 2.82Å; F13-F17 VanDerWaalsContact O-CB 3.26Å; F13-F17 WeakPolarHBondContact O-CB 3.3Å; F13-F17 PolarHBondContact O-N 3.18Å; F13-F66 HydrophobicContact CB-CE2 4.36Å; F13-F69 HydrophobicContact CB-CE1 4.48Å; F13-L70 HydrophobicContact CB-CD2 3.51Å; F13-L70 HydrophobicContact CD2-CD2 3.55Å; F13-L70 HydrophobicContact CG-CD2 3.78Å; F13-M73 HydrophobicContact CD1-CB 3.85Å; F13-M73 HydrophobicContact CD1-CE 4.02Å; F13-M73 HydrophobicContact CD1-CG 3.9Å; F13-M73 HydrophobicContact CE1-CB 3.48Å; F13-M73 VanDerWaalsContact CE1-CB 3.48Å; F13-M73 HydrophobicContact CE1-CE 3.53Å; F13-M73 HydrophobicContact CE1-CG 3.88Å; F13-M73 HydrophobicContact CE2-CB 4.47Å; F13-M73 HydrophobicContact CZ-CB 3.79Å; F13-M77 HydrophobicContact CE1-CE 4.26Å; F13-M77 HydrophobicContact CE1-SD 4.5Å; F13-M77 HydrophobicContact CE2-SD 4.26Å; F13-M77 HydrophobicContact CZ-CE 3.73Å; F13-M77 HydrophobicContact CZ-CG 4.33Å; F13-M77 HydrophobicContact CZ-SD 3.54Å; F13-M77 VanDerWaalsContact CZ-SD 3.54Å
14K86.4Confident83Confident138 Ų13883.2 Ų83.260%0.644%0.435SS*.Hα-helixtrans-69.3-39.7174.9-168.1173.4-175.8175.20111.6I10 A11 E12 F17 S18 F66I10-K14 WeakPolarHBondContact O-CB 3.37Å; I10-K14 PolarHBondContact O-N 2.78Å; A11-K14 WeakPolarHBondContact O-CB 3.46Å; A11-K14 PolarHBondContact O-N 3.15Å; A11-K14 VanDerWaalsContact O-N 3.15Å; E12-K14 VanDerWaalsContact C-N 3.29Å; E12-K14 PolarHBondContact O-N 3.3Å; K14-F17 PolarHBondContact O-N 2.92Å; K14-S18 PolarHBondContact O-N 3.36Å; K14-F66 HydrophobicContact CB-CE2 3.99Å; K14-F66 HydrophobicContact CB-CZ 3.89Å; K14-F66 HydrophobicContact CG-CE2 4.39Å; K14-F66 HydrophobicContact CG-CZ 4.37Å
15E87.2Confident84.6Confident140 Ų14079.6 Ų79.665%0.65442%0.421SS*.Hα-helixtrans-61.7-47.1171-70.1-172.4177.300110.6A11 E12 F17 S18 L19A11-E15 PolarHBondContact O-N 3.37Å; E12-E15 PolarHBondContact O-N 3.04Å; E15-F17 PolarHBondContact O-N 3.12Å; E15-S18 PolarHBondContact O-N 2.95Å; E15-S18 PolarHBondContact O-OG 2.99Å; E15-L19 PolarHBondContact O-N 2.73Å
16A86.4Confident85.7Confident27 Ų2780 Ų8022%0.22343%0.431CS..Hα-helixtrans-58.3-46.6175.200000111.9E12 F13 S18 L19 F20 F69E12-A16 PolarHBondContact O-N 2.98Å; F13-A16 PolarHBondContact O-N 2.82Å; A16-S18 VanDerWaalsContact C-N 3.3Å; A16-S18 PolarHBondContact O-N 3.42Å; A16-L19 WeakPolarHBondContact O-CA 3.46Å; A16-L19 VanDerWaalsContact O-CB 3.24Å; A16-L19 WeakPolarHBondContact O-CB 3.3Å; A16-L19 PolarHBondContact O-N 2.94Å; A16-F20 WeakPolarHBondContact O-CD2 3.47Å; A16-F69 HydrophobicContact CB-CE1 4.38Å; A16-F69 HydrophobicContact CB-CZ 4.31Å
17F88.9Confident86.5Confident11 Ų1177.9 Ų77.95%0.04842%0.418CS..Hα-helixtrans-56.6-43.3177.4-173.4-92.2000111.7F13 K14 E15 L19 F20 D21 G26 I28 F66 F69F13-F17 VanDerWaalsContact O-CB 3.26Å; F13-F17 WeakPolarHBondContact O-CB 3.3Å; F13-F17 PolarHBondContact O-N 3.18Å; K14-F17 PolarHBondContact O-N 2.92Å; E15-F17 PolarHBondContact O-N 3.12Å; F17-L19 PolarHBondContact O-N 3.06Å; F17-F20 WeakPolarHBondContact O-CA 3.49Å; F17-F20 WeakPolarHBondContact O-CB 3.34Å; F17-F20 PolarHBondContact O-N 3.29Å; F17-D21 HydrophobicContact CD1-CB 4.05Å; F17-D21 HydrophobicContact CE1-CB 3.75Å; F17-D21 HydrophobicContact CZ-CB 4.44Å; F17-D21 PolarHBondContact O-N 3.21Å; F17-G26 WeakPolarHBondContact CZ-O 3.21Å; F17-I28 HydrophobicContact CD2-CD1 3.46Å; F17-I28 VanDerWaalsContact CD2-CD1 3.46Å; F17-I28 HydrophobicContact CD2-CG1 4.12Å; F17-I28 HydrophobicContact CE2-CD1 3.33Å; F17-I28 HydrophobicContact CE2-CG1 3.6Å; F17-I28 HydrophobicContact CG-CD1 4.3Å; F17-I28 HydrophobicContact CZ-CD1 4.07Å; F17-I28 HydrophobicContact CZ-CG1 3.82Å; F17-F66 HydrophobicContact CB-CD2 3.84Å; F17-F66 HydrophobicContact CB-CE2 4.09Å; F17-F66 HydrophobicContact CD1-CD2 4.26Å; F17-F66 HydrophobicContact CD2-CB 4.4Å; F17-F66 AromaticContact CD2-CD2 3.84Å; F17-F66 HydrophobicContact CD2-CD2 3.84Å; F17-F66 HydrophobicContact CE1-CB 4.47Å; F17-F66 HydrophobicContact CE2-CB 4.21Å; F17-F66 HydrophobicContact CE2-CD2 4.47Å; F17-F66 AromaticContact CG-CD2 3.72Å; F17-F66 HydrophobicContact CG-CD2 3.72Å; F17-F66 HydrophobicContact CG-CE2 4.45Å; F17-F66 HydrophobicContact CZ-CB 4.25Å; F17-F69 HydrophobicContact CB-CD1 4.15Å; F17-F69 HydrophobicContact CB-CE1 4.15Å; F17-F69 HydrophobicContact CD2-CB 3.61Å; F17-F69 AromaticContact CD2-CD1 3.8Å; F17-F69 HydrophobicContact CD2-CD1 3.8Å; F17-F69 AromaticContact CD2-CD2 3.99Å; F17-F69 HydrophobicContact CD2-CD2 3.99Å; F17-F69 HydrophobicContact CD2-CE1 4.45Å; 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 4.19Å; F17-F69 HydrophobicContact CG-CD1 4.48Å
18S89Confident87Confident72 Ų7269.5 Ų69.550%0.50338%0.379SS..Hα-helixtrans-66.2-15.7176.476.30000114.3K14 E15 A16K14-S18 PolarHBondContact O-N 3.36Å; E15-S18 PolarHBondContact O-N 2.95Å; E15-S18 PolarHBondContact O-OG 2.99Å; A16-S18 VanDerWaalsContact C-N 3.3Å; A16-S18 PolarHBondContact O-N 3.42Å
19L87.6Confident87.7Confident105 Ų10564.1 Ų64.155%0.5536%0.357SS..Hα-helixtrans-76.4-27.9169.5-60.2174.9000111.7E15 A16 F17 K22 V36E15-L19 PolarHBondContact O-N 2.73Å; A16-L19 WeakPolarHBondContact O-CA 3.46Å; A16-L19 VanDerWaalsContact O-CB 3.24Å; A16-L19 WeakPolarHBondContact O-CB 3.3Å; A16-L19 PolarHBondContact O-N 2.94Å; F17-L19 PolarHBondContact O-N 3.06Å; L19-K22 VanDerWaalsContact O-CE 3.25Å; L19-K22 WeakPolarHBondContact O-CE 3.4Å; L19-K22 PolarHBondContact O-NZ 3.48Å; L19-V36 VanDerWaalsContact O-CG2 3.28Å; L19-V36 WeakPolarHBondContact O-CG2 3.36Å
20F87.1Confident88.6Confident38 Ų3862 Ų6217%0.16735%0.348CS..Hα-helixtrans-85.2-56.3176.2-65-86.6000111.3A16 F17 K22 I28 E32 L33 V36 F69A16-F20 WeakPolarHBondContact O-CD2 3.47Å; F17-F20 WeakPolarHBondContact O-CA 3.49Å; F17-F20 WeakPolarHBondContact O-CB 3.34Å; F17-F20 PolarHBondContact O-N 3.29Å; F20-K22 PolarHBondContact O-N 3.48Å; F20-I28 HydrophobicContact CB-CB 4.48Å; F20-I28 HydrophobicContact CB-CD1 3.39Å; F20-I28 HydrophobicContact CB-CG1 3.65Å; F20-I28 HydrophobicContact CB-CG2 3.99Å; F20-I28 HydrophobicContact CD2-CD1 4.38Å; F20-I28 HydrophobicContact CG-CD1 4Å; F20-E32 WeakPolarHBondContact O-CB 3.45Å; F20-L33 HydrophobicContact CD1-CD1 3.96Å; F20-L33 HydrophobicContact CE1-CD1 3.87Å; F20-V36 HydrophobicContact CB-CG2 4.4Å; F20-V36 HydrophobicContact CD1-CB 3.64Å; F20-V36 HydrophobicContact CD1-CG1 3.8Å; F20-V36 HydrophobicContact CD1-CG2 3.61Å; F20-V36 HydrophobicContact CE1-CB 3.68Å; F20-V36 HydrophobicContact CE1-CG1 3.4Å; F20-V36 VanDerWaalsContact CE1-CG1 3.4Å; F20-V36 HydrophobicContact CE1-CG2 4.13Å; F20-V36 HydrophobicContact CG-CG2 4.12Å; F20-V36 HydrophobicContact CZ-CG1 3.91Å; F20-F69 AromaticContact CD2-CE2 3.82Å; F20-F69 HydrophobicContact CD2-CE2 3.82Å; F20-F69 HydrophobicContact CD2-CZ 4.01Å; F20-F69 AromaticContact CE2-CE2 3.83Å; F20-F69 HydrophobicContact CE2-CE2 3.83Å; F20-F69 AromaticContact CE2-CZ 3.86Å; F20-F69 HydrophobicContact CE2-CZ 3.86Å
21D91.6Very high89Confident18 Ų1866.8 Ų66.810%0.09637%0.367CS..  trans-66.299.6176.6176.85.5000110F17 G24 D25 G26 I28F17-D21 HydrophobicContact CD1-CB 4.05Å; F17-D21 HydrophobicContact CE1-CB 3.75Å; F17-D21 HydrophobicContact CZ-CB 4.44Å; F17-D21 PolarHBondContact O-N 3.21Å; D21-G24 WeakPolarHBondContact OD1-CA 3.38Å; D21-G24 PolarHBondContact OD1-N 3.33Å; D21-G24 WeakPolarHBondContact OD2-CA 3.34Å; D21-D25 PolarHBondContact OD1-N 3.09Å; D21-D25 PolarHBondContact OD2-N 3Å; D21-G26 WeakPolarHBondContact OD2-CA 3.29Å; D21-G26 PolarHBondContact OD2-N 2.8Å; D21-I28 HydrophobicContact CB-CG1 4.38Å
22K87.3Confident89.5Confident126 Ų12665.1 Ų65.155%0.54835%0.351SS..SBendtrans-86.9-31-172.3-70.4-48.8-169.2-167.30112.5L19 F20 E32L19-K22 VanDerWaalsContact O-CE 3.25Å; L19-K22 WeakPolarHBondContact O-CE 3.4Å; L19-K22 PolarHBondContact O-NZ 3.48Å; F20-K22 PolarHBondContact O-N 3.48Å; K22-E32 HydrophobicContact CB-CG 4.36Å; K22-E32 HydrophobicContact CG-CG 4.34Å; K22-E32 PolarHBondContact N-OE1 2.93Å
23D90.5Very high89.8Confident115 Ų11560 Ų6062%0.61533%0.327SS*.SBendtrans-93.7-11.9179.66716.4000113.2D25D23-D25 WeakPolarHBondContact OD1-CB 3.36Å; D23-D25 PolarHBondContact OD1-N 3.34Å; D23-D25 VanDerWaalsContact OD1-N 3.08Å
24G88.5Confident90Very high59 Ų5959.5 Ų59.561%0.60833%0.325SS*.  trans7823.4175.500000112.8D21 G26D21-G24 WeakPolarHBondContact OD1-CA 3.38Å; D21-G24 PolarHBondContact OD1-N 3.33Å; D21-G24 WeakPolarHBondContact OD2-CA 3.34Å; G24-G26 PolarHBondContact O-N 2.87Å
25D92.7Very high90.2Very high94 Ų9456.1 Ų56.150%0.50332%0.316SS..SBendtrans-77.2-8.6-179.583.5-2.1000113.6D21 D23 T27D21-D25 PolarHBondContact OD1-N 3.09Å; D21-D25 PolarHBondContact OD2-N 3Å; D23-D25 WeakPolarHBondContact OD1-CB 3.36Å; D23-D25 PolarHBondContact OD1-N 3.34Å; D23-D25 VanDerWaalsContact OD1-N 3.08Å; D25-T27 WeakPolarHBondContact OD1-CA 3.41Å; D25-T27 WeakPolarHBondContact OD1-CB 3.39Å; D25-T27 PolarHBondContact OD1-N 2.8Å; D25-T27 PolarHBondContact OD1-OG1 3Å; D25-T27 PolarHBondContact OD2-OG1 3.07Å
26G91.6Very high90.2Very high33 Ų3350 Ų5034%0.3429%0.288SS..SBendtrans91.18.3179.300000114F17 D21 G24F17-G26 WeakPolarHBondContact CZ-O 3.21Å; D21-G26 WeakPolarHBondContact OD2-CA 3.29Å; D21-G26 PolarHBondContact OD2-N 2.8Å; G24-G26 PolarHBondContact O-N 2.87Å
27T93.5Very high90.2Very high31 Ų3150.6 Ų50.619%0.1929%0.287CS..EExtended strand (participates in β ladder)trans-130.1156.6177.469.60000111.1D25 I64D25-T27 WeakPolarHBondContact OD1-CA 3.41Å; D25-T27 WeakPolarHBondContact OD1-CB 3.39Å; D25-T27 PolarHBondContact OD1-N 2.8Å; D25-T27 PolarHBondContact OD1-OG1 3Å; D25-T27 PolarHBondContact OD2-OG1 3.07Å; T27-I64 CarbonylContact C-O 3.51Å; T27-I64 WeakPolarHBondContact CA-O 3.3Å
28I92.4Very high90.1Very high1 Ų155.6 Ų55.61%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-113.5117.7173.6-58.3163.8000108.3F17 F20 D21 E32 L33 T63 I64 F69F17-I28 HydrophobicContact CD2-CD1 3.46Å; F17-I28 VanDerWaalsContact CD2-CD1 3.46Å; F17-I28 HydrophobicContact CD2-CG1 4.12Å; F17-I28 HydrophobicContact CE2-CD1 3.33Å; F17-I28 HydrophobicContact CE2-CG1 3.6Å; F17-I28 HydrophobicContact CG-CD1 4.3Å; F17-I28 HydrophobicContact CZ-CD1 4.07Å; F17-I28 HydrophobicContact CZ-CG1 3.82Å; F20-I28 HydrophobicContact CB-CB 4.48Å; F20-I28 HydrophobicContact CB-CD1 3.39Å; F20-I28 HydrophobicContact CB-CG1 3.65Å; F20-I28 HydrophobicContact CB-CG2 3.99Å; F20-I28 HydrophobicContact CD2-CD1 4.38Å; F20-I28 HydrophobicContact CG-CD1 4Å; D21-I28 HydrophobicContact CB-CG1 4.38Å; I28-E32 HydrophobicContact CG2-CB 4.12Å; I28-L33 HydrophobicContact CG2-CB 4.04Å; I28-T63 WeakPolarHBondContact O-CA 3.42Å; I28-I64 HydrophobicContact CB-CB 4.22Å; I28-I64 PolarHBondContact N-O 3.49Å; I28-I64 PolarHBondContact O-N 3.16Å; I28-F69 HydrophobicContact CD1-CD2 3.69Å; I28-F69 HydrophobicContact CD1-CE2 4.09Å; I28-F69 HydrophobicContact CD1-CG 4.42Å
29T92.9Very high89.8Confident41 Ų4156.6 Ų56.625%0.25231%0.312SS..  trans-85.6163.8173.963.40000112.1K31 E32 L33 T63T29-K31 PolarHBondContact O-N 2.69Å; T29-K31 VanDerWaalsContact O-N 3.15Å; T29-E32 WeakPolarHBondContact CB-OE2 3.29Å; T29-E32 PolarHBondContact N-OE2 3.4Å; T29-E32 PolarHBondContact O-N 3.47Å; T29-E32 VanDerWaalsContact O-N 3.11Å; T29-E32 WeakPolarHBondContact OG1-CG 3.4Å; T29-E32 PolarHBondContact OG1-N 3.1Å; T29-E32 PolarHBondContact OG1-OE2 3.03Å; T29-L33 PolarHBondContact O-N 3.1Å; T29-T63 HydrophobicContact CG2-CG2 4.05Å
30T91.8Very high89.5Confident16 Ų1657.4 Ų57.410%0.09832%0.316CS..Hα-helixtrans-54.7-36.217457.40000111.8G34 E46 L49 Q50 I53T30-G34 PolarHBondContact O-N 3.34Å; T30-E46 VanDerWaalsContact CB-OE1 3.27Å; T30-E46 WeakPolarHBondContact CB-OE1 3.39Å; T30-E46 PolarHBondContact OG1-OE1 3Å; T30-L49 HydrophobicContact CG2-CB 4.37Å; T30-Q50 HydrophobicContact CG2-CB 4.46Å; T30-I53 HydrophobicContact CG2-CD1 3.48Å; T30-I53 VanDerWaalsContact CG2-CD1 3.48Å; T30-I53 HydrophobicContact CG2-CG1 4.24Å; T30-I53 VanDerWaalsContact N-CD1 3.32Å
31K92Very high89.3Confident154 Ų15458.7 Ų58.767%0.6734%0.341SS*.Hα-helixtrans-66-41.5179.8-67.4178.6-176.4168.30112.4T29 T35T29-K31 PolarHBondContact O-N 2.69Å; T29-K31 VanDerWaalsContact O-N 3.15Å; K31-T35 WeakPolarHBondContact O-CB 3.43Å; K31-T35 PolarHBondContact O-N 3.27Å; K31-T35 PolarHBondContact O-OG1 2.98Å
32E93.2Very high89Confident15 Ų1563.3 Ų63.37%0.0736%0.362CS..Hα-helixtrans-70.5-48.1178.7-77.2169.7128.900111.2F20 K22 I28 T29 G34 T35 V36F20-E32 WeakPolarHBondContact O-CB 3.45Å; K22-E32 HydrophobicContact CB-CG 4.36Å; K22-E32 HydrophobicContact CG-CG 4.34Å; K22-E32 PolarHBondContact N-OE1 2.93Å; I28-E32 HydrophobicContact CG2-CB 4.12Å; T29-E32 WeakPolarHBondContact CB-OE2 3.29Å; T29-E32 PolarHBondContact N-OE2 3.4Å; T29-E32 PolarHBondContact O-N 3.47Å; T29-E32 VanDerWaalsContact O-N 3.11Å; T29-E32 WeakPolarHBondContact OG1-CG 3.4Å; T29-E32 PolarHBondContact OG1-N 3.1Å; T29-E32 PolarHBondContact OG1-OE2 3.03Å; E32-G34 VanDerWaalsContact C-N 3.29Å; E32-G34 PolarHBondContact O-N 2.97Å; E32-T35 WeakPolarHBondContact O-CB 3.5Å; E32-T35 PolarHBondContact O-N 3.41Å; E32-V36 PolarHBondContact O-N 2.92Å
33L89.8Confident89.1Confident16 Ų1663.7 Ų63.78%0.08437%0.37CS..Hα-helixtrans-54.1-48.2172.5-177.260.9000110.9F20 I28 T29 T35 V36 M37 L49 M52 I53F20-L33 HydrophobicContact CD1-CD1 3.96Å; F20-L33 HydrophobicContact CE1-CD1 3.87Å; I28-L33 HydrophobicContact CG2-CB 4.04Å; T29-L33 PolarHBondContact O-N 3.1Å; L33-T35 VanDerWaalsContact C-N 3.29Å; L33-T35 PolarHBondContact O-N 3.11Å; L33-V36 PolarHBondContact O-N 3.41Å; L33-M37 HydrophobicContact CD1-CG 4.39Å; L33-M37 HydrophobicContact CG-CG 4.48Å; L33-M37 WeakPolarHBondContact O-CB 3.14Å; L33-M37 VanDerWaalsContact O-CG 3.26Å; L33-M37 WeakPolarHBondContact O-CG 3.3Å; L33-M37 PolarHBondContact O-N 3.04Å; L33-L49 HydrophobicContact CB-CD2 4.15Å; L33-L49 HydrophobicContact CD2-CD2 3.86Å; L33-L49 HydrophobicContact CG-CD2 3.7Å; L33-M52 HydrophobicContact CD2-CB 4Å; L33-M52 HydrophobicContact CD2-SD 4.26Å; L33-I53 HydrophobicContact CD2-CG1 4.19Å
34G90.3Very high89.1Confident0 Ų058.9 Ų58.90%035%0.345CS..Hα-helixtrans-63-33.7177.300000113.5T30 E32 R38T30-G34 PolarHBondContact O-N 3.34Å; E32-G34 VanDerWaalsContact C-N 3.29Å; E32-G34 PolarHBondContact O-N 2.97Å; G34-R38 VanDerWaalsContact C-CZ 3.44Å; G34-R38 VanDerWaalsContact C-NH2 3.3Å; G34-R38 WeakPolarHBondContact O-CB 3.46Å; G34-R38 VanDerWaalsContact O-CG 3.28Å; G34-R38 WeakPolarHBondContact O-CG 3.33Å; G34-R38 PolarHBondContact O-N 3.44Å; G34-R38 PolarHBondContact O-NE 3.47Å; G34-R38 PolarHBondContact O-NH2 3.09Å
35T90.4Very high89.3Confident67 Ų6759.6 Ų59.641%0.41134%0.338SS..Hα-helixtrans-68.1-42177.3-62.80000111.2K31 E32 L33 S39K31-T35 WeakPolarHBondContact O-CB 3.43Å; K31-T35 PolarHBondContact O-N 3.27Å; K31-T35 PolarHBondContact O-OG1 2.98Å; E32-T35 WeakPolarHBondContact O-CB 3.5Å; E32-T35 PolarHBondContact O-N 3.41Å; L33-T35 VanDerWaalsContact C-N 3.29Å; L33-T35 PolarHBondContact O-N 3.11Å; T35-S39 PolarHBondContact O-N 3.14Å
36V87.3Confident89.2Confident12 Ų1260.1 Ų60.17%0.07334%0.337CS..Hα-helixtrans-68.1-45.9174.6179.10000111.4L19 F20 E32 L33 R38 S39 L40L19-V36 VanDerWaalsContact O-CG2 3.28Å; L19-V36 WeakPolarHBondContact O-CG2 3.36Å; F20-V36 HydrophobicContact CB-CG2 4.4Å; F20-V36 HydrophobicContact CD1-CB 3.64Å; F20-V36 HydrophobicContact CD1-CG1 3.8Å; F20-V36 HydrophobicContact CD1-CG2 3.61Å; F20-V36 HydrophobicContact CE1-CB 3.68Å; F20-V36 HydrophobicContact CE1-CG1 3.4Å; F20-V36 VanDerWaalsContact CE1-CG1 3.4Å; F20-V36 HydrophobicContact CE1-CG2 4.13Å; F20-V36 HydrophobicContact CG-CG2 4.12Å; F20-V36 HydrophobicContact CZ-CG1 3.91Å; E32-V36 PolarHBondContact O-N 2.92Å; L33-V36 PolarHBondContact O-N 3.41Å; V36-R38 PolarHBondContact O-N 3.1Å; V36-S39 PolarHBondContact O-N 3.3Å; V36-S39 PolarHBondContact O-OG 2.95Å; V36-L40 HydrophobicContact CG1-CD1 4.27Å; V36-L40 WeakPolarHBondContact O-CG 3.46Å; V36-L40 PolarHBondContact O-N 3.34Å
37M85.7Confident89.2Confident39 Ų3961.5 Ų61.519%0.19235%0.345CS..Hα-helixtrans-57.6-40.1177.6-71.6-70.4-80.600111.7L33 L40 G41 Q42 P44 M52L33-M37 HydrophobicContact CD1-CG 4.39Å; L33-M37 HydrophobicContact CG-CG 4.48Å; L33-M37 WeakPolarHBondContact O-CB 3.14Å; L33-M37 VanDerWaalsContact O-CG 3.26Å; L33-M37 WeakPolarHBondContact O-CG 3.3Å; L33-M37 PolarHBondContact O-N 3.04Å; M37-L40 PolarHBondContact O-N 2.82Å; M37-G41 PolarHBondContact O-N 2.75Å; M37-Q42 HydrophobicContact CB-CB 4.29Å; M37-Q42 HydrophobicContact CE-CB 4.14Å; M37-Q42 HydrophobicContact CE-CG 4.13Å; M37-Q42 WeakPolarHBondContact O-CA 3.41Å; M37-Q42 VanDerWaalsContact O-CB 3.29Å; M37-Q42 WeakPolarHBondContact O-CB 3.34Å; M37-Q42 PolarHBondContact O-N 3.22Å; M37-P44 HydrophobicContact CB-CG 3.63Å; M37-P44 HydrophobicContact CG-CG 4.2Å; M37-M52 HydrophobicContact CE-CE 4.11Å; M37-M52 HydrophobicContact CE-SD 4.41Å
38R87.3Confident89Confident115 Ų11564.6 Ų64.643%0.43436%0.357SS..Hα-helixtrans-67.5-34.1174.2-74.1-176.9-65.7-93.3-1.4114.1G34 V36 L40 G41 Q42G34-R38 VanDerWaalsContact C-CZ 3.44Å; G34-R38 VanDerWaalsContact C-NH2 3.3Å; G34-R38 WeakPolarHBondContact O-CB 3.46Å; G34-R38 VanDerWaalsContact O-CG 3.28Å; G34-R38 WeakPolarHBondContact O-CG 3.33Å; G34-R38 PolarHBondContact O-N 3.44Å; G34-R38 PolarHBondContact O-NE 3.47Å; G34-R38 PolarHBondContact O-NH2 3.09Å; V36-R38 PolarHBondContact O-N 3.1Å; R38-L40 VanDerWaalsContact C-N 3.26Å; R38-L40 PolarHBondContact O-N 2.8Å; R38-G41 PolarHBondContact O-N 3.36Å; R38-G41 VanDerWaalsContact O-N 3.16Å; R38-Q42 VanDerWaalsContact CA-O 3.25Å; R38-Q42 WeakPolarHBondContact CA-O 3.45Å
39S82.8Confident88.9Confident94 Ų9464.6 Ų64.666%0.65736%0.357SS*.Hα-helixtrans-70.1-26.1174.872.90000112.5T35 V36 G41T35-S39 PolarHBondContact O-N 3.14Å; V36-S39 PolarHBondContact O-N 3.3Å; V36-S39 PolarHBondContact O-OG 2.95Å; S39-G41 PolarHBondContact O-N 3.28Å
40L81.3Confident88.8Confident121 Ų12165.7 Ų65.763%0.63436%0.36SS*.THydrogen-bonded Turntrans-81.33.9171.9-62176.4000113.6V36 M37 R38 Q42V36-L40 HydrophobicContact CG1-CD1 4.27Å; V36-L40 WeakPolarHBondContact O-CG 3.46Å; V36-L40 PolarHBondContact O-N 3.34Å; M37-L40 PolarHBondContact O-N 2.82Å; R38-L40 VanDerWaalsContact C-N 3.26Å; R38-L40 PolarHBondContact O-N 2.8Å; L40-Q42 VanDerWaalsContact C-N 3.32Å
41G82.9Confident88.7Confident66 Ų6669.6 Ų69.668%0.6838%0.38SS*.THydrogen-bonded Turntrans81.36.5179.400000114.9M37 R38 S39M37-G41 PolarHBondContact O-N 2.75Å; R38-G41 PolarHBondContact O-N 3.36Å; R38-G41 VanDerWaalsContact O-N 3.16Å; S39-G41 PolarHBondContact O-N 3.28Å
42Q85.3Confident88.4Confident114 Ų11465.6 Ų65.653%0.53337%0.365SS..  trans-80.4160.5168.7-54.7-60.7-48.500109.9M37 R38 L40M37-Q42 HydrophobicContact CB-CB 4.29Å; M37-Q42 HydrophobicContact CE-CB 4.14Å; M37-Q42 HydrophobicContact CE-CG 4.13Å; M37-Q42 WeakPolarHBondContact O-CA 3.41Å; M37-Q42 VanDerWaalsContact O-CB 3.29Å; M37-Q42 WeakPolarHBondContact O-CB 3.34Å; M37-Q42 PolarHBondContact O-N 3.22Å; R38-Q42 VanDerWaalsContact CA-O 3.25Å; R38-Q42 WeakPolarHBondContact CA-O 3.45Å; L40-Q42 VanDerWaalsContact C-N 3.32Å
43N90.3Very high88.3Confident134 Ų13464.9 Ų64.972%0.71736%0.361SS*.  trans-136.268.8172.9-172.262.5000110.8
44P89.2Confident88.2Confident14 Ų1468.2 Ų68.29%0.09138%0.379CS..  trans-70145.5-179.731.7-36.2000110.9M37 E48 L49M37-P44 HydrophobicContact CB-CG 3.63Å; M37-P44 HydrophobicContact CG-CG 4.2Å; P44-E48 WeakPolarHBondContact CA-OE2 3.27Å; P44-E48 HydrophobicContact CB-CB 4.33Å; P44-L49 HydrophobicContact CB-CD2 4.07Å; P44-L49 HydrophobicContact CB-CG 4.02Å; P44-L49 HydrophobicContact CG-CD1 4.24Å; P44-L49 HydrophobicContact CG-CD2 3.71Å; P44-L49 HydrophobicContact CG-CG 3.99Å
45T92Very high88Confident75 Ų7575 Ų7546%0.4641%0.411SS..  trans-75.3160.9169.663.10000110.8A47 E48 L49T45-A47 PolarHBondContact O-N 3.04Å; T45-E48 WeakPolarHBondContact CB-OE2 3.47Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.47Å; T45-E48 PolarHBondContact N-OE2 3.35Å; T45-E48 PolarHBondContact O-N 3.45Å; T45-E48 WeakPolarHBondContact OG1-CG 3.2Å; T45-E48 PolarHBondContact OG1-N 2.96Å; T45-E48 PolarHBondContact OG1-OE2 2.97Å; T45-L49 WeakPolarHBondContact O-CG 3.3Å; T45-L49 PolarHBondContact O-N 3.46Å
46E92.1Very high87.7Confident105 Ų10572.9 Ų72.949%0.49140%0.398SS..Hα-helixtrans-59.5-34.1176.4-166.365.6-160.100112T30 L49 Q50T30-E46 VanDerWaalsContact CB-OE1 3.27Å; T30-E46 WeakPolarHBondContact CB-OE1 3.39Å; T30-E46 PolarHBondContact OG1-OE1 3Å; E46-L49 PolarHBondContact O-N 3.26Å; E46-Q50 WeakPolarHBondContact O-CB 3.48Å; E46-Q50 PolarHBondContact O-N 3.44Å
47A91.7Very high87.8Confident62 Ų6273.3 Ų73.351%0.51240%0.4SS..Hα-helixtrans-65.3-46.1176.700000111.6T45 L49 Q50 D51T45-A47 PolarHBondContact O-N 3.04Å; A47-L49 VanDerWaalsContact C-N 3.31Å; A47-L49 PolarHBondContact O-N 3.08Å; A47-Q50 PolarHBondContact O-N 3.32Å; A47-D51 WeakPolarHBondContact O-CB 3.34Å; A47-D51 VanDerWaalsContact O-CG 3.27Å; A47-D51 PolarHBondContact O-N 3.28Å
48E89.1Confident87.8Confident95 Ų9576 Ų7644%0.44443%0.428SS..Hα-helixtrans-62.8-38.3176.4-71.1162.9137.100111.8P44 T45 D51 M52P44-E48 WeakPolarHBondContact CA-OE2 3.27Å; P44-E48 HydrophobicContact CB-CB 4.33Å; T45-E48 WeakPolarHBondContact CB-OE2 3.47Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.47Å; T45-E48 PolarHBondContact N-OE2 3.35Å; T45-E48 PolarHBondContact O-N 3.45Å; T45-E48 WeakPolarHBondContact OG1-CG 3.2Å; T45-E48 PolarHBondContact OG1-N 2.96Å; T45-E48 PolarHBondContact OG1-OE2 2.97Å; E48-D51 PolarHBondContact O-N 3.48Å; E48-M52 VanDerWaalsContact O-CG 3.25Å; E48-M52 WeakPolarHBondContact O-CG 3.22Å; E48-M52 PolarHBondContact O-N 2.82Å
49L89.9Confident87.9Confident1 Ų175.4 Ų75.41%0.00543%0.433CS..Hα-helixtrans-66.2-43.2175.9-68.6167.4000111.7T30 L33 P44 T45 E46 A47 D51 M52 I53T30-L49 HydrophobicContact CG2-CB 4.37Å; L33-L49 HydrophobicContact CB-CD2 4.15Å; L33-L49 HydrophobicContact CD2-CD2 3.86Å; L33-L49 HydrophobicContact CG-CD2 3.7Å; P44-L49 HydrophobicContact CB-CD2 4.07Å; P44-L49 HydrophobicContact CB-CG 4.02Å; P44-L49 HydrophobicContact CG-CD1 4.24Å; P44-L49 HydrophobicContact CG-CD2 3.71Å; P44-L49 HydrophobicContact CG-CG 3.99Å; T45-L49 WeakPolarHBondContact O-CG 3.3Å; T45-L49 PolarHBondContact O-N 3.46Å; E46-L49 PolarHBondContact O-N 3.26Å; A47-L49 VanDerWaalsContact C-N 3.31Å; A47-L49 PolarHBondContact O-N 3.08Å; L49-D51 VanDerWaalsContact C-N 3.34Å; L49-M52 WeakPolarHBondContact O-CB 3.4Å; L49-M52 PolarHBondContact O-N 3.4Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 3.1Å
50Q91.3Very high88.1Confident64 Ų6473.8 Ų73.830%0.29943%0.431SS..Hα-helixtrans-65.1-40.6177.3-171.263.159.800111.3T30 E46 A47 M52 I53 N54T30-Q50 HydrophobicContact CG2-CB 4.46Å; E46-Q50 WeakPolarHBondContact O-CB 3.48Å; E46-Q50 PolarHBondContact O-N 3.44Å; A47-Q50 PolarHBondContact O-N 3.32Å; Q50-M52 VanDerWaalsContact C-N 3.33Å; Q50-M52 PolarHBondContact O-N 2.81Å; Q50-I53 PolarHBondContact O-N 3.25Å; Q50-N54 PolarHBondContact NE2-OD1 3.33Å; Q50-N54 WeakPolarHBondContact O-CB 3.37Å; Q50-N54 PolarHBondContact O-N 3.03Å; Q50-N54 PolarHBondContact O-ND2 2.87Å; Q50-N54 PolarHBondContact O-OD1 3.03Å
51D89.1Confident88.6Confident98 Ų9871.7 Ų71.752%0.52442%0.421SS..Hα-helixtrans-61.7-42.7175.6-71.8-20.4000110.8A47 E48 L49 I53 N54 E55A47-D51 WeakPolarHBondContact O-CB 3.34Å; A47-D51 VanDerWaalsContact O-CG 3.27Å; A47-D51 PolarHBondContact O-N 3.28Å; E48-D51 PolarHBondContact O-N 3.48Å; L49-D51 VanDerWaalsContact C-N 3.34Å; D51-I53 VanDerWaalsContact C-N 3.35Å; D51-I53 PolarHBondContact O-N 3.33Å; D51-N54 PolarHBondContact O-N 2.98Å; D51-E55 WeakPolarHBondContact O-CG 3.49Å; D51-E55 PolarHBondContact O-N 3.2Å; D51-E55 VanDerWaalsContact O-N 3.09Å
52M86.8Confident88.9Confident71 Ų7169.8 Ų69.835%0.3540%0.401SS..Hα-helixtrans-60-42.1174.2-71.9174.2-16300112.6L33 M37 E48 L49 Q50L33-M52 HydrophobicContact CD2-CB 4Å; L33-M52 HydrophobicContact CD2-SD 4.26Å; M37-M52 HydrophobicContact CE-CE 4.11Å; M37-M52 HydrophobicContact CE-SD 4.41Å; E48-M52 VanDerWaalsContact O-CG 3.25Å; E48-M52 WeakPolarHBondContact O-CG 3.22Å; E48-M52 PolarHBondContact O-N 2.82Å; L49-M52 WeakPolarHBondContact O-CB 3.4Å; L49-M52 PolarHBondContact O-N 3.4Å; Q50-M52 VanDerWaalsContact C-N 3.33Å; Q50-M52 PolarHBondContact O-N 2.81Å
53I89.8Confident89.3Confident0 Ų065.6 Ų65.60%038%0.384CS..Hα-helixtrans-65.9-49.1176-67.3-165.3000110.4T30 L33 L49 Q50 D51 E55 V56 D57 I64T30-I53 HydrophobicContact CG2-CD1 3.48Å; T30-I53 VanDerWaalsContact CG2-CD1 3.48Å; T30-I53 HydrophobicContact CG2-CG1 4.24Å; T30-I53 VanDerWaalsContact N-CD1 3.32Å; L33-I53 HydrophobicContact CD2-CG1 4.19Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 3.1Å; Q50-I53 PolarHBondContact O-N 3.25Å; D51-I53 VanDerWaalsContact C-N 3.35Å; D51-I53 PolarHBondContact O-N 3.33Å; I53-E55 PolarHBondContact O-N 2.87Å; I53-E55 VanDerWaalsContact O-N 3.09Å; I53-V56 VanDerWaalsContact O-CG2 3.26Å; I53-V56 WeakPolarHBondContact O-CG2 3.13Å; I53-V56 PolarHBondContact O-N 2.83Å; I53-D57 HydrophobicContact CG2-CB 3.92Å; I53-D57 WeakPolarHBondContact O-CB 3.44Å; I53-D57 PolarHBondContact O-N 3.45Å; I53-I64 HydrophobicContact CB-CG1 4.3Å; I53-I64 HydrophobicContact CD1-CG1 4.39Å; I53-I64 HydrophobicContact CG1-CD1 3.91Å; I53-I64 HydrophobicContact CG1-CG1 3.94Å; I53-I64 HydrophobicContact CG2-CG1 4.08Å
54N88.2Confident89.4Confident86 Ų8659.3 Ų59.346%0.4635%0.35SS..Hα-helixtrans-59.7-25.1-178-67.2-17.3000113.4Q50 D51 V56Q50-N54 PolarHBondContact NE2-OD1 3.33Å; Q50-N54 WeakPolarHBondContact O-CB 3.37Å; Q50-N54 PolarHBondContact O-N 3.03Å; Q50-N54 PolarHBondContact O-ND2 2.87Å; Q50-N54 PolarHBondContact O-OD1 3.03Å; D51-N54 PolarHBondContact O-N 2.98Å; N54-V56 PolarHBondContact O-N 2.82Å
55E85.5Confident89.5Confident143 Ų14360.9 Ų60.967%0.66836%0.357SS*.THydrogen-bonded Turntrans-68.3-21.5176.3-78.9-172.6167.600113.6D51 I53D51-E55 WeakPolarHBondContact O-CG 3.49Å; D51-E55 PolarHBondContact O-N 3.2Å; D51-E55 VanDerWaalsContact O-N 3.09Å; I53-E55 PolarHBondContact O-N 2.87Å; I53-E55 VanDerWaalsContact O-N 3.09Å
56V84.7Confident89.4Confident22 Ų2259.5 Ų59.513%0.13335%0.345CS..THydrogen-bonded Turntrans-126.3-21.5-171.9-65.40000113.7I53 N54 A58 I64 E68 M72I53-V56 VanDerWaalsContact O-CG2 3.26Å; I53-V56 WeakPolarHBondContact O-CG2 3.13Å; I53-V56 PolarHBondContact O-N 2.83Å; N54-V56 PolarHBondContact O-N 2.82Å; V56-A58 VanDerWaalsContact C-N 3.35Å; V56-A58 PolarHBondContact O-N 2.64Å; V56-I64 HydrophobicContact CG2-CD1 3.59Å; V56-I64 HydrophobicContact CG2-CG1 3.71Å; V56-I64 HydrophobicContact CG2-CG2 4.12Å; V56-E68 WeakPolarHBondContact O-CG 3.3Å; V56-M72 HydrophobicContact CB-CB 4.35Å; V56-M72 HydrophobicContact CG1-CB 3.53Å; V56-M72 HydrophobicContact CG1-CG 3.67Å; V56-M72 HydrophobicContact CG1-SD 4.17Å; V56-M72 HydrophobicContact CG2-SD 4.48Å
57D89.4Confident89.2Confident21 Ų2158.1 Ų58.111%0.11235%0.345CS..  trans-64.788.7173.4178.213.5000109.9I53 G60 N61 G62 E68I53-D57 HydrophobicContact CG2-CB 3.92Å; I53-D57 WeakPolarHBondContact O-CB 3.44Å; I53-D57 PolarHBondContact O-N 3.45Å; D57-G60 WeakPolarHBondContact OD1-CA 3.44Å; D57-G60 PolarHBondContact OD1-N 3.22Å; D57-G60 VanDerWaalsContact OD2-C 3.29Å; D57-G60 VanDerWaalsContact OD2-CA 3.31Å; D57-G60 WeakPolarHBondContact OD2-CA 3.46Å; D57-N61 PolarHBondContact OD1-N 3.49Å; D57-N61 PolarHBondContact OD2-N 3.4Å; D57-G62 VanDerWaalsContact OD2-CA 3.29Å; D57-G62 WeakPolarHBondContact OD2-CA 3.19Å; D57-G62 PolarHBondContact OD2-N 2.85Å; D57-E68 WeakPolarHBondContact CA-OE1 3.36Å
58A85.3Confident89.1Confident94 Ų9455.8 Ų55.878%0.77732%0.324SS*.SBendtrans-81.3-26.2-174.500000111.5V56 E68V56-A58 VanDerWaalsContact C-N 3.35Å; V56-A58 PolarHBondContact O-N 2.64Å; A58-E68 PolarHBondContact N-OE1 2.91Å
59D89.3Confident88.9Confident103 Ų10351.4 Ų51.455%0.55130%0.303SS*.SBendtrans-91-13.9177.680.62000113.6N61 E68D59-N61 VanDerWaalsContact CG-ND2 3.29Å; D59-N61 WeakPolarHBondContact OD1-CB 3.42Å; D59-N61 PolarHBondContact OD1-N 2.98Å; D59-N61 PolarHBondContact OD1-ND2 2.93Å; D59-N61 PolarHBondContact OD2-ND2 3.49Å; D59-E68 PolarHBondContact N-OE1 3.42Å
60G87.7Confident88.7Confident60 Ų6051.9 Ų51.962%0.61931%0.306SS*.  trans76.823.5177.200000113.7D57 G62D57-G60 WeakPolarHBondContact OD1-CA 3.44Å; D57-G60 PolarHBondContact OD1-N 3.22Å; D57-G60 VanDerWaalsContact OD2-C 3.29Å; D57-G60 VanDerWaalsContact OD2-CA 3.31Å; D57-G60 WeakPolarHBondContact OD2-CA 3.46Å; G60-G62 VanDerWaalsContact C-N 3.3Å
61N90.9Very high88.2Confident78 Ų7851.7 Ų51.742%0.41731%0.309SS..SBendtrans-81.6-8.7-177.973.527.8000113.4D57 D59 T63D57-N61 PolarHBondContact OD1-N 3.49Å; D57-N61 PolarHBondContact OD2-N 3.4Å; D59-N61 VanDerWaalsContact CG-ND2 3.29Å; D59-N61 WeakPolarHBondContact OD1-CB 3.42Å; D59-N61 PolarHBondContact OD1-N 2.98Å; D59-N61 PolarHBondContact OD1-ND2 2.93Å; D59-N61 PolarHBondContact OD2-ND2 3.49Å; N61-T63 WeakPolarHBondContact OD1-CA 3.43Å; N61-T63 WeakPolarHBondContact OD1-CB 3.32Å; N61-T63 PolarHBondContact OD1-N 3Å; N61-T63 PolarHBondContact OD1-O 3.25Å; N61-T63 PolarHBondContact OD1-OG1 2.67Å
62G90.5Very high87.8Confident26 Ų2649.1 Ų49.127%0.26830%0.295SS..SBendtrans82.313.7179.500000114.7D57 G60D57-G62 VanDerWaalsContact OD2-CA 3.29Å; D57-G62 WeakPolarHBondContact OD2-CA 3.19Å; D57-G62 PolarHBondContact OD2-N 2.85Å; G60-G62 VanDerWaalsContact C-N 3.3Å
63T92.5Very high87.4Confident26 Ų2648.4 Ų48.416%0.1629%0.291CS..SBendtrans-133.2168.4176.467.20000109.7I28 T29 N61I28-T63 WeakPolarHBondContact O-CA 3.42Å; T29-T63 HydrophobicContact CG2-CG2 4.05Å; N61-T63 WeakPolarHBondContact OD1-CA 3.43Å; N61-T63 WeakPolarHBondContact OD1-CB 3.32Å; N61-T63 PolarHBondContact OD1-N 3Å; N61-T63 PolarHBondContact OD1-O 3.25Å; N61-T63 PolarHBondContact OD1-OG1 2.67Å
64I91.7Very high86.5Confident2 Ų249.6 Ų49.61%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-110.8114175.1-51.3175.2000108.2T27 I28 I53 V56 E68 F69T27-I64 CarbonylContact C-O 3.51Å; T27-I64 WeakPolarHBondContact CA-O 3.3Å; I28-I64 HydrophobicContact CB-CB 4.22Å; I28-I64 PolarHBondContact N-O 3.49Å; I28-I64 PolarHBondContact O-N 3.16Å; I53-I64 HydrophobicContact CB-CG1 4.3Å; I53-I64 HydrophobicContact CD1-CG1 4.39Å; I53-I64 HydrophobicContact CG1-CD1 3.91Å; I53-I64 HydrophobicContact CG1-CG1 3.94Å; I53-I64 HydrophobicContact CG2-CG1 4.08Å; V56-I64 HydrophobicContact CG2-CD1 3.59Å; V56-I64 HydrophobicContact CG2-CG1 3.71Å; V56-I64 HydrophobicContact CG2-CG2 4.12Å; I64-E68 WeakPolarHBondContact CA-OE2 3.49Å; I64-E68 HydrophobicContact CG2-CB 3.75Å; I64-F69 HydrophobicContact CG2-CB 3.85Å
65D92.7Very high85.6Confident46 Ų4653.1 Ų53.125%0.24631%0.308CS..EExtended strand (participates in β ladder)trans-78.8170.7170.179.214.7000112P67 E68 F69D65-P67 WeakPolarHBondContact OD1-CB 3.3Å; D65-P67 WeakPolarHBondContact OD1-CD 3.18Å; D65-P67 VanDerWaalsContact OD1-N 3.16Å; D65-E68 PolarHBondContact N-OE2 2.86Å; D65-E68 PolarHBondContact O-N 2.97Å; D65-E68 WeakPolarHBondContact OD1-CB 3.35Å; D65-E68 VanDerWaalsContact OD1-CG 3.24Å; D65-E68 WeakPolarHBondContact OD1-CG 3.46Å; D65-E68 PolarHBondContact OD1-N 3.3Å; D65-F69 WeakPolarHBondContact O-CB 3.09Å; D65-F69 PolarHBondContact O-N 3.47Å
66F88.8Confident84.6Confident47 Ų4752.5 Ų52.521%0.20630%0.303CS..Hα-helixtrans-60.3-45.3-179.4-177.9-113.7000113.7I10 F13 K14 F17 E68 F69 L70I10-F66 HydrophobicContact CG2-CE1 4.3Å; I10-F66 HydrophobicContact CG2-CZ 4.21Å; F13-F66 HydrophobicContact CB-CE2 4.36Å; K14-F66 HydrophobicContact CB-CE2 3.99Å; K14-F66 HydrophobicContact CB-CZ 3.89Å; K14-F66 HydrophobicContact CG-CE2 4.39Å; K14-F66 HydrophobicContact CG-CZ 4.37Å; F17-F66 HydrophobicContact CB-CD2 3.84Å; F17-F66 HydrophobicContact CB-CE2 4.09Å; F17-F66 HydrophobicContact CD1-CD2 4.26Å; F17-F66 HydrophobicContact CD2-CB 4.4Å; F17-F66 AromaticContact CD2-CD2 3.84Å; F17-F66 HydrophobicContact CD2-CD2 3.84Å; F17-F66 HydrophobicContact CE1-CB 4.47Å; F17-F66 HydrophobicContact CE2-CB 4.21Å; F17-F66 HydrophobicContact CE2-CD2 4.47Å; F17-F66 AromaticContact CG-CD2 3.72Å; F17-F66 HydrophobicContact CG-CD2 3.72Å; F17-F66 HydrophobicContact CG-CE2 4.45Å; F17-F66 HydrophobicContact CZ-CB 4.25Å; F66-E68 PolarHBondContact O-N 3.21Å; F66-F69 PolarHBondContact O-N 3.41Å; F66-L70 HydrophobicContact CD1-CD1 4.05Å; F66-L70 HydrophobicContact CD1-CG 4.39Å; F66-L70 HydrophobicContact CD2-CG 4.47Å; F66-L70 HydrophobicContact CE1-CD1 3.57Å; F66-L70 HydrophobicContact CE1-CD2 4.42Å; F66-L70 HydrophobicContact CE1-CG 4.02Å; F66-L70 HydrophobicContact CE2-CD2 4.08Å; F66-L70 HydrophobicContact CE2-CG 4.08Å; F66-L70 HydrophobicContact CZ-CD1 3.85Å; F66-L70 HydrophobicContact CZ-CD2 3.83Å; F66-L70 HydrophobicContact CZ-CG 3.85Å; F66-L70 WeakPolarHBondContact O-CG 3.35Å; F66-L70 PolarHBondContact O-N 3.4Å
67P87.9Confident83.4Confident76 Ų7654.2 Ų54.249%0.49431%0.31SS..Hα-helixtrans-53.3-42.3170-28.232.2000115.7D65 L70 T71D65-P67 WeakPolarHBondContact OD1-CB 3.3Å; D65-P67 WeakPolarHBondContact OD1-CD 3.18Å; D65-P67 VanDerWaalsContact OD1-N 3.16Å; P67-L70 PolarHBondContact O-N 3.11Å; P67-T71 PolarHBondContact O-N 3.44Å; P67-T71 PolarHBondContact O-OG1 3.5Å
68E89.2Confident82Confident13 Ų1359.5 Ų59.56%0.06133%0.332CS..Hα-helixtrans-68.5-42.1177.2-70.4170.5150.100110.8V56 D57 A58 D59 I64 D65 F66 L70 T71 M72V56-E68 WeakPolarHBondContact O-CG 3.3Å; D57-E68 WeakPolarHBondContact CA-OE1 3.36Å; A58-E68 PolarHBondContact N-OE1 2.91Å; D59-E68 PolarHBondContact N-OE1 3.42Å; I64-E68 WeakPolarHBondContact CA-OE2 3.49Å; I64-E68 HydrophobicContact CG2-CB 3.75Å; D65-E68 PolarHBondContact N-OE2 2.86Å; D65-E68 PolarHBondContact O-N 2.97Å; D65-E68 WeakPolarHBondContact OD1-CB 3.35Å; D65-E68 VanDerWaalsContact OD1-CG 3.24Å; D65-E68 WeakPolarHBondContact OD1-CG 3.46Å; D65-E68 PolarHBondContact OD1-N 3.3Å; F66-E68 PolarHBondContact O-N 3.21Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.05Å; E68-T71 WeakPolarHBondContact O-CA 2.99Å; E68-T71 WeakPolarHBondContact O-CB 3.27Å; E68-T71 PolarHBondContact O-N 3.16Å; E68-T71 VanDerWaalsContact O-N 3.09Å; E68-M72 PolarHBondContact O-N 3.43Å
69F86.8Confident80.8Confident3 Ų359.2 Ų59.21%0.01332%0.318CS..Hα-helixtrans-60.9-42.3173.2-176.6-96000112F13 A16 F17 F20 I28 I64 D65 F66 T71 M72 M73F13-F69 HydrophobicContact CB-CE1 4.48Å; A16-F69 HydrophobicContact CB-CE1 4.38Å; A16-F69 HydrophobicContact CB-CZ 4.31Å; F17-F69 HydrophobicContact CB-CD1 4.15Å; F17-F69 HydrophobicContact CB-CE1 4.15Å; F17-F69 HydrophobicContact CD2-CB 3.61Å; F17-F69 AromaticContact CD2-CD1 3.8Å; F17-F69 HydrophobicContact CD2-CD1 3.8Å; F17-F69 AromaticContact CD2-CD2 3.99Å; F17-F69 HydrophobicContact CD2-CD2 3.99Å; F17-F69 HydrophobicContact CD2-CE1 4.45Å; 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 4.19Å; F17-F69 HydrophobicContact CG-CD1 4.48Å; F20-F69 AromaticContact CD2-CE2 3.82Å; F20-F69 HydrophobicContact CD2-CE2 3.82Å; F20-F69 HydrophobicContact CD2-CZ 4.01Å; F20-F69 AromaticContact CE2-CE2 3.83Å; F20-F69 HydrophobicContact CE2-CE2 3.83Å; F20-F69 AromaticContact CE2-CZ 3.86Å; F20-F69 HydrophobicContact CE2-CZ 3.86Å; I28-F69 HydrophobicContact CD1-CD2 3.69Å; I28-F69 HydrophobicContact CD1-CE2 4.09Å; I28-F69 HydrophobicContact CD1-CG 4.42Å; I64-F69 HydrophobicContact CG2-CB 3.85Å; D65-F69 WeakPolarHBondContact O-CB 3.09Å; D65-F69 PolarHBondContact O-N 3.47Å; F66-F69 PolarHBondContact O-N 3.41Å; F69-T71 VanDerWaalsContact C-N 3.3Å; F69-T71 PolarHBondContact O-N 2.77Å; F69-M72 HydrophobicContact CD2-CE 3.47Å; F69-M72 VanDerWaalsContact CD2-CE 3.47Å; F69-M72 HydrophobicContact CE2-CE 3.56Å; F69-M72 HydrophobicContact CG-CE 4.35Å; F69-M72 WeakPolarHBondContact O-CB 3.11Å; F69-M72 PolarHBondContact O-N 3.15Å; F69-M73 HydrophobicContact CD1-CG 3.99Å; F69-M73 HydrophobicContact CE1-CG 3.61Å; F69-M73 HydrophobicContact CE2-CG 4.35Å; F69-M73 HydrophobicContact CZ-CG 3.81Å; F69-M73 HydrophobicContact CZ-SD 4.14Å; F69-M73 WeakPolarHBondContact O-CB 3.22Å; F69-M73 WeakPolarHBondContact O-CG 3.09Å; F69-M73 PolarHBondContact O-N 2.91Å
70L84.4Confident79.2Confident10 Ų1057.8 Ų57.85%0.05231%0.313CS..Hα-helixtrans-62.5-39.2173.3-74.9-179.8000111.5A2 L5 F13 F66 P67 E68 M72 M73 A74A2-L70 HydrophobicContact CB-CD1 4.17Å; L5-L70 HydrophobicContact CD1-CD2 3.91Å; F13-L70 HydrophobicContact CB-CD2 3.51Å; F13-L70 HydrophobicContact CD2-CD2 3.55Å; F13-L70 HydrophobicContact CG-CD2 3.78Å; F66-L70 HydrophobicContact CD1-CD1 4.05Å; F66-L70 HydrophobicContact CD1-CG 4.39Å; F66-L70 HydrophobicContact CD2-CG 4.47Å; F66-L70 HydrophobicContact CE1-CD1 3.57Å; F66-L70 HydrophobicContact CE1-CD2 4.42Å; F66-L70 HydrophobicContact CE1-CG 4.02Å; F66-L70 HydrophobicContact CE2-CD2 4.08Å; F66-L70 HydrophobicContact CE2-CG 4.08Å; F66-L70 HydrophobicContact CZ-CD1 3.85Å; F66-L70 HydrophobicContact CZ-CD2 3.83Å; F66-L70 HydrophobicContact CZ-CG 3.85Å; F66-L70 WeakPolarHBondContact O-CG 3.35Å; F66-L70 PolarHBondContact O-N 3.4Å; P67-L70 PolarHBondContact O-N 3.11Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.05Å; L70-M72 VanDerWaalsContact C-N 3.34Å; L70-M73 PolarHBondContact O-N 2.81Å; L70-A74 WeakPolarHBondContact O-CB 3.13Å; L70-A74 PolarHBondContact O-N 3.2Å
71T81.1Confident77.8Confident61 Ų6158.4 Ų58.437%0.37430%0.302SS..Hα-helixtrans-64.4-42.1176.9-58.80000110.9M1 P67 E68 F69 R75M1-T71 HydrophobicContact SD-CG2 4.33Å; P67-T71 PolarHBondContact O-N 3.44Å; P67-T71 PolarHBondContact O-OG1 3.5Å; E68-T71 WeakPolarHBondContact O-CA 2.99Å; E68-T71 WeakPolarHBondContact O-CB 3.27Å; E68-T71 PolarHBondContact O-N 3.16Å; E68-T71 VanDerWaalsContact O-N 3.09Å; F69-T71 VanDerWaalsContact C-N 3.3Å; F69-T71 PolarHBondContact O-N 2.77Å; T71-R75 VanDerWaalsContact O-CB 3.31Å; T71-R75 WeakPolarHBondContact O-CB 3.17Å; T71-R75 PolarHBondContact O-N 2.89Å
72M80.7Confident76.9Confident44 Ų4456.7 Ų56.722%0.21730%0.296CS..Hα-helixtrans-59-53.1173.3-172.5-179.363.700111.8V56 E68 F69 L70 R75 K76V56-M72 HydrophobicContact CB-CB 4.35Å; V56-M72 HydrophobicContact CG1-CB 3.53Å; V56-M72 HydrophobicContact CG1-CG 3.67Å; V56-M72 HydrophobicContact CG1-SD 4.17Å; V56-M72 HydrophobicContact CG2-SD 4.48Å; E68-M72 PolarHBondContact O-N 3.43Å; F69-M72 HydrophobicContact CD2-CE 3.47Å; F69-M72 VanDerWaalsContact CD2-CE 3.47Å; F69-M72 HydrophobicContact CE2-CE 3.56Å; F69-M72 HydrophobicContact CG-CE 4.35Å; F69-M72 WeakPolarHBondContact O-CB 3.11Å; F69-M72 PolarHBondContact O-N 3.15Å; L70-M72 VanDerWaalsContact C-N 3.34Å; M72-R75 PolarHBondContact O-N 3.24Å; M72-K76 WeakPolarHBondContact O-CG 3.47Å; M72-K76 PolarHBondContact O-N 2.89Å
73M77.9Confident76.3Confident55 Ų5560.2 Ų60.227%0.27131%0.305SS..Hα-helixtrans-68.2-39.1-176.7-68.9-59-69.400111.9F13 F69 L70 R75 K76 M77F13-M73 HydrophobicContact CD1-CB 3.85Å; F13-M73 HydrophobicContact CD1-CE 4.02Å; F13-M73 HydrophobicContact CD1-CG 3.9Å; F13-M73 HydrophobicContact CE1-CB 3.48Å; F13-M73 VanDerWaalsContact CE1-CB 3.48Å; F13-M73 HydrophobicContact CE1-CE 3.53Å; F13-M73 HydrophobicContact CE1-CG 3.88Å; F13-M73 HydrophobicContact CE2-CB 4.47Å; F13-M73 HydrophobicContact CZ-CB 3.79Å; F69-M73 HydrophobicContact CD1-CG 3.99Å; F69-M73 HydrophobicContact CE1-CG 3.61Å; F69-M73 HydrophobicContact CE2-CG 4.35Å; F69-M73 HydrophobicContact CZ-CG 3.81Å; F69-M73 HydrophobicContact CZ-SD 4.14Å; F69-M73 WeakPolarHBondContact O-CB 3.22Å; F69-M73 WeakPolarHBondContact O-CG 3.09Å; F69-M73 PolarHBondContact O-N 2.91Å; L70-M73 PolarHBondContact O-N 2.81Å; M73-R75 VanDerWaalsContact C-N 3.33Å; M73-R75 PolarHBondContact O-N 3.37Å; M73-K76 PolarHBondContact O-N 2.75Å; M73-M77 WeakPolarHBondContact O-CB 3.41Å; M73-M77 PolarHBondContact O-N 2.95Å
74A70.8Confident75.7Confident26 Ų2664.3 Ų64.322%0.21532%0.323CS..Hα-helixtrans-64.6-38175.400000111.8L70 K78L70-A74 WeakPolarHBondContact O-CB 3.13Å; L70-A74 PolarHBondContact O-N 3.2Å; A74-K78 VanDerWaalsContact O-CB 3.3Å; A74-K78 WeakPolarHBondContact O-CB 3.3Å; A74-K78 PolarHBondContact O-N 2.99Å
75R69.1Low75.2Confident160 Ų16070.3 Ų70.360%0.60435%0.351SS*.Hα-helixtrans-64.8-45.8173.7-172.1177.6178-171.6-1.8111.1T71 M72 M73 K78 D79T71-R75 VanDerWaalsContact O-CB 3.31Å; T71-R75 WeakPolarHBondContact O-CB 3.17Å; T71-R75 PolarHBondContact O-N 2.89Å; M72-R75 PolarHBondContact O-N 3.24Å; M73-R75 VanDerWaalsContact C-N 3.33Å; M73-R75 PolarHBondContact O-N 3.37Å; R75-K78 PolarHBondContact O-N 3.37Å; R75-D79 VanDerWaalsContact O-CG 3.27Å; R75-D79 PolarHBondContact O-N 2.79Å
76K65.9Low74.9Confident129 Ų12968.8 Ų68.856%0.56134%0.342SS*.Hα-helixtrans-66.4-40.6178.3-75.7-70.4-175.4-175.50113.5M72 M73 D79 T80M72-K76 WeakPolarHBondContact O-CG 3.47Å; M72-K76 PolarHBondContact O-N 2.89Å; M73-K76 PolarHBondContact O-N 2.75Å; K76-D79 PolarHBondContact O-N 2.55Å; K76-T80 WeakPolarHBondContact O-CB 3.47Å; K76-T80 PolarHBondContact O-N 3.06Å; K76-T80 PolarHBondContact O-OG1 2.99Å
77M59.7Low74.9Confident59 Ų5970.2 Ų70.229%0.29135%0.346SS..Hα-helixtrans-60.3-50.6172.4-86.5-166.4158.300109.9F13 M73 D79 T80 D81F13-M77 HydrophobicContact CE1-CE 4.26Å; F13-M77 HydrophobicContact CE1-SD 4.5Å; F13-M77 HydrophobicContact CE2-SD 4.26Å; F13-M77 HydrophobicContact CZ-CE 3.73Å; F13-M77 HydrophobicContact CZ-CG 4.33Å; F13-M77 HydrophobicContact CZ-SD 3.54Å; F13-M77 VanDerWaalsContact CZ-SD 3.54Å; M73-M77 WeakPolarHBondContact O-CB 3.41Å; M73-M77 PolarHBondContact O-N 2.95Å; M77-D79 VanDerWaalsContact C-N 3.27Å; M77-D79 PolarHBondContact O-N 3.47Å; M77-T80 PolarHBondContact O-N 3.01Å; M77-D81 WeakPolarHBondContact O-CB 3.29Å; M77-D81 PolarHBondContact O-N 2.96Å
78K59Low75Confident132 Ų13272.8 Ų72.857%0.57435%0.352SS*.Hα-helixtrans-56-43.1177.4-170.7-178.5176.5-169.20112A74 R75 S82A74-K78 VanDerWaalsContact O-CB 3.3Å; A74-K78 WeakPolarHBondContact O-CB 3.3Å; A74-K78 PolarHBondContact O-N 2.99Å; R75-K78 PolarHBondContact O-N 3.37Å; K78-S82 WeakPolarHBondContact O-CB 3.49Å; K78-S82 PolarHBondContact O-N 3.05Å; K78-S82 PolarHBondContact O-OG 2.88Å
79D59.3Low75Confident88 Ų8873.6 Ų73.647%0.47136%0.361SS..Hα-helixtrans-69.7-42.3179.8-66.8-18.3000112.4R75 K76 M77 E83R75-D79 VanDerWaalsContact O-CG 3.27Å; R75-D79 PolarHBondContact O-N 2.79Å; K76-D79 PolarHBondContact O-N 2.55Å; M77-D79 VanDerWaalsContact C-N 3.27Å; M77-D79 PolarHBondContact O-N 3.47Å; D79-E83 PolarHBondContact O-N 3.29Å; D79-E83 VanDerWaalsContact O-N 3.11Å
80T56.3Low75.3Confident72 Ų7274 Ų7444%0.44236%0.362SS..Hα-helixtrans-74.9-47.7-177.2-48.40000111.8K76 M77 S82 E83 E84K76-T80 WeakPolarHBondContact O-CB 3.47Å; K76-T80 PolarHBondContact O-N 3.06Å; K76-T80 PolarHBondContact O-OG1 2.99Å; M77-T80 PolarHBondContact O-N 3.01Å; T80-S82 VanDerWaalsContact C-N 3.25Å; T80-S82 PolarHBondContact O-N 3.07Å; T80-E83 PolarHBondContact O-N 3.24Å; T80-E83 VanDerWaalsContact O-N 3.15Å; T80-E84 PolarHBondContact O-N 3.44Å
81D59.6Low75.7Confident74 Ų7481.5 Ų81.540%0.39639%0.39SS..Hα-helixtrans-60.1-41.1175.2-62.6-24.8000109.1M77 E83 E84 E85M77-D81 WeakPolarHBondContact O-CB 3.29Å; M77-D81 PolarHBondContact O-N 2.96Å; D81-E83 PolarHBondContact O-N 2.72Å; D81-E84 PolarHBondContact O-N 2.8Å; D81-E85 WeakPolarHBondContact O-CB 3.33Å; D81-E85 WeakPolarHBondContact O-CG 3.49Å; D81-E85 PolarHBondContact O-N 3.32Å
82S70.5Confident76.2Confident41 Ų4182.1 Ų82.129%0.28739%0.394SS..Hα-helixtrans-60.8-44.2175.3-63.90000112K78 T80 I86K78-S82 WeakPolarHBondContact O-CB 3.49Å; K78-S82 PolarHBondContact O-N 3.05Å; K78-S82 PolarHBondContact O-OG 2.88Å; T80-S82 VanDerWaalsContact C-N 3.25Å; T80-S82 PolarHBondContact O-N 3.07Å; S82-I86 WeakPolarHBondContact O-CB 3.42Å; S82-I86 VanDerWaalsContact O-CD1 3.22Å; S82-I86 WeakPolarHBondContact O-CD1 3.25Å; S82-I86 WeakPolarHBondContact O-CG1 3.34Å; S82-I86 PolarHBondContact O-N 3.02Å
83E78.3Confident76.7Confident100 Ų10081.4 Ų81.447%0.46739%0.389SS..Hα-helixtrans-68.3-43.7-178.8-167.3-172.5153.500112.2D79 T80 D81 I86 R87D79-E83 PolarHBondContact O-N 3.29Å; D79-E83 VanDerWaalsContact O-N 3.11Å; T80-E83 PolarHBondContact O-N 3.24Å; T80-E83 VanDerWaalsContact O-N 3.15Å; D81-E83 PolarHBondContact O-N 2.72Å; E83-I86 PolarHBondContact O-N 3.27Å; E83-R87 VanDerWaalsContact O-CB 3.3Å; E83-R87 WeakPolarHBondContact O-CB 3.3Å; E83-R87 PolarHBondContact O-N 2.88Å; E83-R87 IonicContact OE1-CZ 3.67Å; E83-R87 IonicContact OE1-NH1 3.95Å; E83-R87 IonicContact OE1-NH2 2.64Å; E83-R87 PolarHBondContact OE1-NH2 3.44Å
84E79.2Confident77.5Confident112 Ų11279.6 Ų79.652%0.52338%0.381SS..Hα-helixtrans-65.5-44.7176.4-68.9-163.8152.200111.6T80 D81 I86 R87 E88T80-E84 PolarHBondContact O-N 3.44Å; D81-E84 PolarHBondContact O-N 2.8Å; E84-I86 PolarHBondContact O-N 3.48Å; E84-R87 WeakPolarHBondContact O-CB 3.28Å; E84-R87 PolarHBondContact O-N 3.01Å; E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 3.27Å
85E82.3Confident78.5Confident129 Ų12984 Ų8460%0.60340%0.395SS*.Hα-helixtrans-60.8-44.1174.9-74.3177.1168.100111.7D81 R87 E88 A89D81-E85 WeakPolarHBondContact O-CB 3.33Å; D81-E85 WeakPolarHBondContact O-CG 3.49Å; D81-E85 PolarHBondContact O-N 3.32Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 2.81Å; E85-E88 PolarHBondContact O-N 2.96Å; E85-A89 VanDerWaalsContact O-CB 3.32Å; E85-A89 WeakPolarHBondContact O-CB 3.45Å; E85-A89 PolarHBondContact O-N 3.3Å
86I87Confident79.7Confident13 Ų1381.5 Ų81.57%0.06739%0.394CS..Hα-helixtrans-63.1-40.7176.8-71.6164.4000110.3S82 E83 E84 A89 F90 F142 V143 M146 T147S82-I86 WeakPolarHBondContact O-CB 3.42Å; S82-I86 VanDerWaalsContact O-CD1 3.22Å; S82-I86 WeakPolarHBondContact O-CD1 3.25Å; S82-I86 WeakPolarHBondContact O-CG1 3.34Å; S82-I86 PolarHBondContact O-N 3.02Å; E83-I86 PolarHBondContact O-N 3.27Å; E84-I86 PolarHBondContact O-N 3.48Å; I86-A89 PolarHBondContact O-N 3.41Å; I86-F90 WeakPolarHBondContact O-CB 3.42Å; I86-F90 PolarHBondContact O-N 3.2Å; I86-F142 HydrophobicContact CG2-CD1 3.79Å; I86-F142 HydrophobicContact CG2-CE1 3.97Å; I86-V143 HydrophobicContact CG2-CG2 3.75Å; I86-M146 HydrophobicContact CD1-CB 3.9Å; I86-M146 HydrophobicContact CG1-CB 3.91Å; I86-M146 HydrophobicContact CG1-CG 4.33Å; I86-T147 HydrophobicContact CD1-CG2 3.77Å
87R88.3Confident80.9Confident78 Ų7878.2 Ų78.229%0.29440%0.396SS..Hα-helixtrans-66.3-40.4177-176.2-178.7-66.4122.30.8112.5E83 E84 E85 F90 R91 Y139E83-R87 VanDerWaalsContact O-CB 3.3Å; E83-R87 WeakPolarHBondContact O-CB 3.3Å; E83-R87 PolarHBondContact O-N 2.88Å; E83-R87 IonicContact OE1-CZ 3.67Å; E83-R87 IonicContact OE1-NH1 3.95Å; E83-R87 IonicContact OE1-NH2 2.64Å; E83-R87 PolarHBondContact OE1-NH2 3.44Å; E84-R87 WeakPolarHBondContact O-CB 3.28Å; E84-R87 PolarHBondContact O-N 3.01Å; E85-R87 VanDerWaalsContact C-N 3.31Å; E85-R87 PolarHBondContact O-N 2.81Å; R87-F90 PolarHBondContact O-N 3.35Å; R87-R91 WeakPolarHBondContact O-CG 3.26Å; R87-R91 PolarHBondContact O-N 2.96Å; R87-R91 VanDerWaalsContact O-N 3.1Å; R87-Y139 HydrophobicContact CB-CE2 4.15Å; R87-Y139 HydrophobicContact CG-CE2 4.41Å
88E89.4Confident82.6Confident129 Ų12978.8 Ų78.860%0.60340%0.401SS*.Hα-helixtrans-65.6-44.2174-72.3-168.4164.200111.4E84 E85 F90 R91 V92E84-E88 WeakPolarHBondContact O-CG 3.35Å; E84-E88 PolarHBondContact O-N 3.27Å; E85-E88 PolarHBondContact O-N 2.96Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 2.84Å; E88-R91 PolarHBondContact O-N 3.42Å; E88-V92 WeakPolarHBondContact O-CG2 3.5Å; E88-V92 PolarHBondContact O-N 3.03Å
89A89.3Confident84.3Confident30 Ų3074 Ų7425%0.24839%0.388CS..Hα-helixtrans-57.9-46.6173.900000111.1E85 I86 R91 V92 F93 F142E85-A89 VanDerWaalsContact O-CB 3.32Å; E85-A89 WeakPolarHBondContact O-CB 3.45Å; E85-A89 PolarHBondContact O-N 3.3Å; I86-A89 PolarHBondContact O-N 3.41Å; A89-R91 VanDerWaalsContact C-N 3.32Å; A89-R91 PolarHBondContact O-N 3.3Å; A89-V92 WeakPolarHBondContact O-CA 3.46Å; A89-V92 WeakPolarHBondContact O-CB 3.31Å; A89-V92 PolarHBondContact O-N 2.9Å; A89-F93 WeakPolarHBondContact O-CD2 3.49Å; A89-F93 PolarHBondContact O-N 3Å; A89-F93 VanDerWaalsContact O-N 3.14Å; A89-F142 HydrophobicContact CB-CE1 4.11Å; A89-F142 HydrophobicContact CB-CZ 4.17Å
90F92.9Very high86.1Confident12 Ų1273.1 Ų73.15%0.05338%0.38CS..Hα-helixtrans-55.7-46.1176.8-171.1-90.5000111.6I86 R87 E88 V92 F93 D94 G99 I101 Y139 F142I86-F90 WeakPolarHBondContact O-CB 3.42Å; I86-F90 PolarHBondContact O-N 3.2Å; R87-F90 PolarHBondContact O-N 3.35Å; E88-F90 VanDerWaalsContact C-N 3.33Å; E88-F90 PolarHBondContact O-N 2.84Å; F90-V92 PolarHBondContact O-N 3.27Å; F90-F93 PolarHBondContact O-N 3.49Å; 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 4.48Å; F90-D94 WeakPolarHBondContact O-CB 3.39Å; F90-D94 PolarHBondContact O-N 3.33Å; F90-G99 VanDerWaalsContact CZ-O 3.3Å; F90-G99 WeakPolarHBondContact CZ-O 3.42Å; F90-I101 HydrophobicContact CD2-CD1 3.51Å; F90-I101 HydrophobicContact CD2-CG1 4.1Å; F90-I101 HydrophobicContact CE2-CD1 3.49Å; F90-I101 VanDerWaalsContact CE2-CD1 3.49Å; 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 4.18Å; F90-Y139 HydrophobicContact CB-CE2 4.47Å; F90-Y139 HydrophobicContact CD1-CD2 4.24Å; F90-Y139 HydrophobicContact CD2-CD2 4.11Å; F90-Y139 AromaticContact CG-CD2 3.89Å; F90-Y139 HydrophobicContact CG-CD2 3.89Å; F90-F142 HydrophobicContact CB-CD1 4.04Å; F90-F142 HydrophobicContact CB-CE1 4.13Å; F90-F142 HydrophobicContact CD2-CB 3.64Å; F90-F142 AromaticContact CD2-CD1 3.74Å; F90-F142 HydrophobicContact CD2-CD1 3.74Å; F90-F142 HydrophobicContact CD2-CD2 4.3Å; F90-F142 HydrophobicContact CD2-CE1 4.47Å; F90-F142 AromaticContact CD2-CG 3.64Å; F90-F142 HydrophobicContact CD2-CG 3.64Å; F90-F142 HydrophobicContact CE2-CB 3.92Å; F90-F142 HydrophobicContact CE2-CG 4.31Å; F90-F142 HydrophobicContact CG-CD1 4.41Å
91R92.2Very high87.9Confident168 Ų16869.9 Ų69.963%0.63436%0.36SS*.Hα-helixtrans-65.2-24.2175.7-70.6175.1-177.71682.8114R87 E88 A89R87-R91 WeakPolarHBondContact O-CG 3.26Å; R87-R91 PolarHBondContact O-N 2.96Å; R87-R91 VanDerWaalsContact O-N 3.1Å; E88-R91 PolarHBondContact O-N 3.42Å; A89-R91 VanDerWaalsContact C-N 3.32Å; A89-R91 PolarHBondContact O-N 3.3Å
92V92.2Very high89.6Confident74 Ų7467.6 Ų67.645%0.44835%0.35SS..Hα-helixtrans-72.4-36.7173.8171.80000110.3E88 A89 F90 K95 V109E88-V92 WeakPolarHBondContact O-CG2 3.5Å; E88-V92 PolarHBondContact O-N 3.03Å; A89-V92 WeakPolarHBondContact O-CA 3.46Å; A89-V92 WeakPolarHBondContact O-CB 3.31Å; A89-V92 PolarHBondContact O-N 2.9Å; F90-V92 PolarHBondContact O-N 3.27Å; V92-K95 WeakPolarHBondContact O-CE 3.37Å; V92-K95 PolarHBondContact O-NZ 3.09Å; V92-V109 HydrophobicContact CG1-CG1 4.22Å; V92-V109 WeakPolarHBondContact O-CG2 3.25Å
93F92.4Very high90.7Very high28 Ų2866.9 Ų66.912%0.12335%0.346CS..Hα-helixtrans-75.3-54175.6-73.8-77.6000112.8A89 F90 K95 I101 E105 L106 V109 F142A89-F93 WeakPolarHBondContact O-CD2 3.49Å; A89-F93 PolarHBondContact O-N 3Å; A89-F93 VanDerWaalsContact O-N 3.14Å; F90-F93 PolarHBondContact O-N 3.49Å; F90-F93 VanDerWaalsContact O-N 3.09Å; F93-K95 PolarHBondContact O-N 2.87Å; F93-I101 HydrophobicContact CB-CB 4.44Å; F93-I101 HydrophobicContact CB-CD1 3.44Å; F93-I101 VanDerWaalsContact CB-CD1 3.44Å; F93-I101 HydrophobicContact CB-CG1 3.64Å; F93-I101 HydrophobicContact CB-CG2 3.95Å; F93-I101 HydrophobicContact CD2-CD1 4.43Å; F93-I101 HydrophobicContact CG-CD1 4.08Å; F93-E105 WeakPolarHBondContact O-CB 3.26Å; F93-L106 HydrophobicContact CD1-CD1 3.93Å; F93-L106 HydrophobicContact CE1-CD1 3.59Å; F93-L106 HydrophobicContact CZ-CD1 4.42Å; F93-V109 HydrophobicContact CD1-CB 3.58Å; F93-V109 HydrophobicContact CD1-CG1 3.73Å; F93-V109 HydrophobicContact CD1-CG2 3.85Å; F93-V109 HydrophobicContact CE1-CB 3.54Å; F93-V109 HydrophobicContact CE1-CG1 3.36Å; F93-V109 HydrophobicContact CE1-CG2 4.3Å; F93-V109 HydrophobicContact CE2-CG1 4.47Å; F93-V109 HydrophobicContact CG-CG1 4.42Å; F93-V109 HydrophobicContact CG-CG2 4.44Å; F93-V109 HydrophobicContact CZ-CB 4.45Å; F93-V109 HydrophobicContact CZ-CG1 3.79Å; F93-F142 AromaticContact CD2-CE2 3.89Å; F93-F142 HydrophobicContact CD2-CE2 3.89Å; F93-F142 AromaticContact CD2-CZ 3.84Å; F93-F142 HydrophobicContact CD2-CZ 3.84Å; F93-F142 HydrophobicContact CE2-CE2 4.08Å; F93-F142 AromaticContact CE2-CZ 3.95Å; F93-F142 HydrophobicContact CE2-CZ 3.95Å
94D94.5Very high91.4Very high17 Ų1764.4 Ų64.49%0.09134%0.343CS..  trans-70.290.3177177.310.1000110.3F90 D96 G97 N98 G99 I101F90-D94 HydrophobicContact CD1-CB 4.2Å; F90-D94 HydrophobicContact CE1-CB 3.87Å; F90-D94 HydrophobicContact CZ-CB 4.48Å; F90-D94 WeakPolarHBondContact O-CB 3.39Å; F90-D94 PolarHBondContact O-N 3.33Å; D94-D96 VanDerWaalsContact OD1-OD1 3.12Å; D94-G97 WeakPolarHBondContact OD1-CA 3.42Å; D94-G97 PolarHBondContact OD1-N 2.97Å; D94-G97 WeakPolarHBondContact OD2-CA 3.45Å; D94-N98 PolarHBondContact OD1-N 3.48Å; D94-N98 VanDerWaalsContact OD1-N 3.11Å; D94-N98 PolarHBondContact OD2-N 3.15Å; D94-G99 WeakPolarHBondContact OD2-CA 3.05Å; D94-G99 PolarHBondContact OD2-N 3.16Å; D94-I101 HydrophobicContact CB-CG1 4.45Å
95K91.2Very high92.2Very high118 Ų11860 Ų6051%0.51332%0.323SS..SBendtrans-81.2-31.9-173.6-73.5-57.1-170.6-151.70112.1V92 F93 E105V92-K95 WeakPolarHBondContact O-CE 3.37Å; V92-K95 PolarHBondContact O-NZ 3.09Å; F93-K95 PolarHBondContact O-N 2.87Å; K95-E105 HydrophobicContact CB-CG 4.4Å; K95-E105 PolarHBondContact N-OE1 2.66Å
96D93.6Very high92.7Very high109 Ų10954.6 Ų54.658%0.58330%0.298SS*.SBendtrans-86.1-14179.174.89.4000112.8D94 N98 E105D94-D96 VanDerWaalsContact OD1-OD1 3.12Å; D96-N98 VanDerWaalsContact CG-ND2 3.29Å; D96-N98 WeakPolarHBondContact OD1-CB 3.46Å; D96-N98 PolarHBondContact OD1-N 3.21Å; D96-N98 PolarHBondContact OD1-ND2 3.34Å; D96-N98 PolarHBondContact OD2-ND2 3Å; D96-E105 PolarHBondContact N-OE1 3.32Å
97G92.6Very high92.9Very high59 Ų5958.2 Ų58.261%0.60831%0.311SS*.  trans76.324.3176.100000113.1D94 G99D94-G97 WeakPolarHBondContact OD1-CA 3.42Å; D94-G97 PolarHBondContact OD1-N 2.97Å; D94-G97 WeakPolarHBondContact OD2-CA 3.45Å; G97-G99 VanDerWaalsContact C-N 3.29Å
98N94.8Very high93.1Very high72 Ų7259 Ų5939%0.38532%0.317SS..SBendtrans-80.9-8.6-17772.524.1000113.3D94 D96 F100D94-N98 PolarHBondContact OD1-N 3.48Å; D94-N98 VanDerWaalsContact OD1-N 3.11Å; D94-N98 PolarHBondContact OD2-N 3.15Å; D96-N98 VanDerWaalsContact CG-ND2 3.29Å; D96-N98 WeakPolarHBondContact OD1-CB 3.46Å; D96-N98 PolarHBondContact OD1-N 3.21Å; D96-N98 PolarHBondContact OD1-ND2 3.34Å; D96-N98 PolarHBondContact OD2-ND2 3Å; N98-F100 WeakPolarHBondContact OD1-CA 3.44Å; N98-F100 WeakPolarHBondContact OD1-CB 3.43Å; N98-F100 PolarHBondContact OD1-N 3.45Å; N98-F100 PolarHBondContact OD1-O 3.44Å
99G94.7Very high93.2Very high30 Ų3053.1 Ų53.131%0.30929%0.291SS..SBendtrans92.68.7-178.500000115F90 D94 G97F90-G99 VanDerWaalsContact CZ-O 3.3Å; F90-G99 WeakPolarHBondContact CZ-O 3.42Å; D94-G99 WeakPolarHBondContact OD2-CA 3.05Å; D94-G99 PolarHBondContact OD2-N 3.16Å; G97-G99 VanDerWaalsContact C-N 3.29Å
100F96.4Very high93.2Very high71 Ų7153.3 Ų53.331%0.31129%0.287SS..EExtended strand (participates in β ladder)trans-135.1151.1-179.2-58.9-94.5000110.4N98 Q136 V137 N138N98-F100 WeakPolarHBondContact OD1-CA 3.44Å; N98-F100 WeakPolarHBondContact OD1-CB 3.43Å; N98-F100 PolarHBondContact OD1-N 3.45Å; N98-F100 PolarHBondContact OD1-O 3.44Å; F100-Q136 HydrophobicContact CB-CB 4.11Å; F100-Q136 VanDerWaalsContact CB-OE1 3.26Å; F100-Q136 HydrophobicContact CD1-CB 4.35Å; F100-V137 CarbonylContact C-O 3.54Å; F100-V137 WeakPolarHBondContact CA-O 3.43Å; F100-N138 HydrophobicContact CD1-CB 3.8Å; F100-N138 HydrophobicContact CE1-CB 3.79Å
101I95.4Very high93.2Very high3 Ų356 Ų562%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-106114.1172.4-58.9166.3000107.9F90 F93 D94 E105 L106 V137 F142F90-I101 HydrophobicContact CD2-CD1 3.51Å; F90-I101 HydrophobicContact CD2-CG1 4.1Å; F90-I101 HydrophobicContact CE2-CD1 3.49Å; F90-I101 VanDerWaalsContact CE2-CD1 3.49Å; 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 4.44Å; F93-I101 HydrophobicContact CB-CD1 3.44Å; F93-I101 VanDerWaalsContact CB-CD1 3.44Å; F93-I101 HydrophobicContact CB-CG1 3.64Å; F93-I101 HydrophobicContact CB-CG2 3.95Å; F93-I101 HydrophobicContact CD2-CD1 4.43Å; F93-I101 HydrophobicContact CG-CD1 4.08Å; D94-I101 HydrophobicContact CB-CG1 4.45Å; I101-E105 HydrophobicContact CG2-CB 4.39Å; I101-L106 HydrophobicContact CG2-CB 4.16Å; I101-V137 HydrophobicContact CB-CB 4.29Å; I101-V137 PolarHBondContact N-O 2.99Å; I101-V137 PolarHBondContact O-N 3.42Å; I101-F142 HydrophobicContact CD1-CD2 3.49Å; I101-F142 VanDerWaalsContact CD1-CD2 3.49Å; I101-F142 HydrophobicContact CD1-CE2 3.8Å; I101-F142 HydrophobicContact CD1-CG 4.09Å
102S95.1Very high92.9Very high27 Ų2753.1 Ų53.119%0.18930%0.301CS..  trans-80.7157.9172.766.60000112.1A104 E105 L106S102-A104 PolarHBondContact O-N 2.93Å; S102-A104 VanDerWaalsContact O-N 3.16Å; S102-E105 WeakPolarHBondContact CB-OE2 3.25Å; S102-E105 PolarHBondContact N-OE2 3.28Å; S102-E105 PolarHBondContact O-N 2.94Å; S102-E105 WeakPolarHBondContact OG-CG 3.38Å; S102-E105 PolarHBondContact OG-N 3.19Å; S102-E105 PolarHBondContact OG-OE2 3.23Å; S102-L106 PolarHBondContact O-N 3.44Å
103A93.5Very high92.8Very high25 Ų2555.5 Ų55.521%0.20731%0.311CS..Hα-helixtrans-52.2-37.1171.200000112.5R107 V122 I126A103-R107 WeakPolarHBondContact O-CB 3.28Å; A103-R107 PolarHBondContact O-N 3.42Å; A103-V122 HydrophobicContact CB-CG1 3.8Å; A103-V122 VanDerWaalsContact O-CG1 3.29Å; A103-V122 WeakPolarHBondContact O-CG1 3.37Å; A103-I126 HydrophobicContact CB-CG1 4.12Å
104A93.5Very high92.6Very high49 Ų4956.9 Ų56.941%0.40533%0.333SS..Hα-helixtrans-66.8-39.5179.100000112.7S102 H108S102-A104 PolarHBondContact O-N 2.93Å; S102-A104 VanDerWaalsContact O-N 3.16Å; A104-H108 WeakPolarHBondContact O-CB 3.13Å; A104-H108 PolarHBondContact O-N 3.02Å
105E94.5Very high92.4Very high19 Ų1961.6 Ų61.69%0.08936%0.355CS..Hα-helixtrans-70.5-45.6176.5-77.3166.1132.500111.9F93 K95 D96 I101 S102 R107 H108 V109F93-E105 WeakPolarHBondContact O-CB 3.26Å; K95-E105 HydrophobicContact CB-CG 4.4Å; K95-E105 PolarHBondContact N-OE1 2.66Å; D96-E105 PolarHBondContact N-OE1 3.32Å; I101-E105 HydrophobicContact CG2-CB 4.39Å; S102-E105 WeakPolarHBondContact CB-OE2 3.25Å; S102-E105 PolarHBondContact N-OE2 3.28Å; S102-E105 PolarHBondContact O-N 2.94Å; S102-E105 WeakPolarHBondContact OG-CG 3.38Å; S102-E105 PolarHBondContact OG-N 3.19Å; S102-E105 PolarHBondContact OG-OE2 3.23Å; E105-R107 VanDerWaalsContact C-N 3.34Å; E105-R107 PolarHBondContact O-N 3.14Å; E105-H108 WeakPolarHBondContact O-CB 3.45Å; E105-H108 PolarHBondContact O-N 3.4Å; E105-H108 VanDerWaalsContact O-N 3.12Å; E105-V109 PolarHBondContact O-N 2.77Å
106L92.9Very high92.3Very high15 Ų1564.6 Ų64.68%0.07937%0.368CS..Hα-helixtrans-54.3-52174.5-177.961.9000110.5F93 I101 S102 H108 V109 M110 V122 M125 I126F93-L106 HydrophobicContact CD1-CD1 3.93Å; F93-L106 HydrophobicContact CE1-CD1 3.59Å; F93-L106 HydrophobicContact CZ-CD1 4.42Å; I101-L106 HydrophobicContact CG2-CB 4.16Å; S102-L106 PolarHBondContact O-N 3.44Å; L106-H108 VanDerWaalsContact C-N 3.31Å; L106-H108 PolarHBondContact O-N 2.94Å; L106-V109 PolarHBondContact O-N 3.43Å; L106-M110 HydrophobicContact CD1-CG 4.18Å; L106-M110 HydrophobicContact CG-CG 4.48Å; L106-M110 WeakPolarHBondContact O-CB 3.48Å; L106-M110 VanDerWaalsContact O-CG 3.27Å; L106-M110 WeakPolarHBondContact O-CG 3.36Å; L106-M110 PolarHBondContact O-N 3.3Å; L106-V122 HydrophobicContact CB-CG1 4.47Å; L106-V122 HydrophobicContact CD2-CG1 4.21Å; L106-M125 HydrophobicContact CD1-CE 4.35Å; L106-M125 HydrophobicContact CD2-CB 3.88Å; L106-M125 HydrophobicContact CD2-CE 4.27Å; L106-M125 HydrophobicContact CD2-SD 4.29Å; L106-I126 HydrophobicContact CB-CD1 4.44Å; L106-I126 HydrophobicContact CD2-CD1 3.76Å; L106-I126 HydrophobicContact CD2-CG1 4.02Å
107R92.1Very high92.1Very high89 Ų8961.2 Ų61.234%0.33635%0.349SS..Hα-helixtrans-58.4-43.2177-17318059.4-121.3-15.8112.2A103 E105 T111 D119 V122A103-R107 WeakPolarHBondContact O-CB 3.28Å; A103-R107 PolarHBondContact O-N 3.42Å; E105-R107 VanDerWaalsContact C-N 3.34Å; E105-R107 PolarHBondContact O-N 3.14Å; R107-T111 VanDerWaalsContact O-CB 3.3Å; R107-T111 WeakPolarHBondContact O-CB 3.11Å; R107-T111 PolarHBondContact O-N 2.88Å; R107-T111 PolarHBondContact O-OG1 3.28Å; R107-D119 IonicContact CZ-OD1 4Å; R107-D119 IonicContact NH1-OD1 3.05Å; R107-D119 PolarHBondContact NH1-OD1 3.42Å; R107-V122 HydrophobicContact CB-CG1 4.36Å; R107-V122 HydrophobicContact CB-CG2 3.91Å; R107-V122 HydrophobicContact CG-CG2 4.14Å
108H91.5Very high92.1Very high94 Ų9462 Ų6244%0.43534%0.343SS..Hα-helixtrans-62.4-46.3-179.4-179.568.5000111.5A104 E105 L106 N112A104-H108 WeakPolarHBondContact O-CB 3.13Å; A104-H108 PolarHBondContact O-N 3.02Å; E105-H108 WeakPolarHBondContact O-CB 3.45Å; E105-H108 PolarHBondContact O-N 3.4Å; E105-H108 VanDerWaalsContact O-N 3.12Å; L106-H108 VanDerWaalsContact C-N 3.31Å; L106-H108 PolarHBondContact O-N 2.94Å; H108-N112 PolarHBondContact CD2-ND2 3.44Å; H108-N112 PolarHBondContact NE2-ND2 2.85Å; H108-N112 VanDerWaalsContact O-CG 3.32Å; H108-N112 PolarHBondContact O-N 2.89Å; H108-N112 VanDerWaalsContact O-N 3.1Å; H108-N112 PolarHBondContact O-ND2 3.35Å
109V91.4Very high92Very high7 Ų763.2 Ų63.24%0.04235%0.349CS..Hα-helixtrans-67.3-46178.7175.70000111.5V92 F93 E105 L106 T111 N112 L113V92-V109 HydrophobicContact CG1-CG1 4.22Å; V92-V109 WeakPolarHBondContact O-CG2 3.25Å; F93-V109 HydrophobicContact CD1-CB 3.58Å; F93-V109 HydrophobicContact CD1-CG1 3.73Å; F93-V109 HydrophobicContact CD1-CG2 3.85Å; F93-V109 HydrophobicContact CE1-CB 3.54Å; F93-V109 HydrophobicContact CE1-CG1 3.36Å; F93-V109 HydrophobicContact CE1-CG2 4.3Å; F93-V109 HydrophobicContact CE2-CG1 4.47Å; F93-V109 HydrophobicContact CG-CG1 4.42Å; F93-V109 HydrophobicContact CG-CG2 4.44Å; F93-V109 HydrophobicContact CZ-CB 4.45Å; F93-V109 HydrophobicContact CZ-CG1 3.79Å; E105-V109 PolarHBondContact O-N 2.77Å; L106-V109 PolarHBondContact O-N 3.43Å; V109-T111 VanDerWaalsContact C-N 3.28Å; V109-T111 PolarHBondContact O-N 3.21Å; V109-N112 WeakPolarHBondContact O-CA 3.39Å; V109-N112 WeakPolarHBondContact O-CB 3.38Å; V109-N112 PolarHBondContact O-N 2.91Å; V109-L113 HydrophobicContact CG1-CD1 4.2Å; V109-L113 WeakPolarHBondContact O-CG 3.24Å; V109-L113 PolarHBondContact O-N 3.45Å
110M91Very high91.9Very high34 Ų3468 Ų6817%0.16737%0.368CS..Hα-helixtrans-59.8-40.6178-68.2-60.6-75.600111.7L106 N112 L113 G114 E115 L117L106-M110 HydrophobicContact CD1-CG 4.18Å; L106-M110 HydrophobicContact CG-CG 4.48Å; L106-M110 WeakPolarHBondContact O-CB 3.48Å; L106-M110 VanDerWaalsContact O-CG 3.27Å; L106-M110 WeakPolarHBondContact O-CG 3.36Å; L106-M110 PolarHBondContact O-N 3.3Å; M110-N112 VanDerWaalsContact C-N 3.33Å; M110-N112 PolarHBondContact O-N 3.18Å; M110-L113 CarbonylContact O-C 3.6Å; M110-L113 WeakPolarHBondContact O-CB 3.47Å; M110-L113 PolarHBondContact O-N 3.3Å; M110-L113 VanDerWaalsContact O-N 3.1Å; M110-L113 HydrophobicContact SD-CD1 4.18Å; M110-G114 PolarHBondContact O-N 2.97Å; M110-E115 CarbonylContact C-O 3.13Å; M110-E115 HydrophobicContact CB-CB 4.45Å; M110-E115 HydrophobicContact CE-CB 4.02Å; M110-E115 HydrophobicContact CE-CG 4.21Å; M110-E115 PolarHBondContact O-N 3.19Å; M110-L117 HydrophobicContact CB-CD1 3.81Å; M110-L117 HydrophobicContact CB-CG 4.26Å; M110-L117 HydrophobicContact CE-CD1 3.98Å; M110-L117 HydrophobicContact CG-CD1 3.71Å
111T90.9Very high91.7Very high67 Ų6768.7 Ų68.741%0.41137%0.372SS..Hα-helixtrans-61.8-40174.4-57.70000112R107 V109 L113 G114 E115R107-T111 VanDerWaalsContact O-CB 3.3Å; R107-T111 WeakPolarHBondContact O-CB 3.11Å; R107-T111 PolarHBondContact O-N 2.88Å; R107-T111 PolarHBondContact O-OG1 3.28Å; V109-T111 VanDerWaalsContact C-N 3.28Å; V109-T111 PolarHBondContact O-N 3.21Å; T111-L113 VanDerWaalsContact C-N 3.29Å; T111-L113 PolarHBondContact O-N 3.45Å; T111-G114 PolarHBondContact O-N 2.7Å; T111-G114 VanDerWaalsContact O-N 3.11Å; T111-E115 WeakPolarHBondContact CA-O 3.38Å; T111-E115 PolarHBondContact N-O 3.09Å
112N87.8Confident91.6Very high109 Ų10968.6 Ų68.658%0.58337%0.371SS*.Hα-helixtrans-68.1-28.7176.1-70.4-33.1000112.6H108 V109 M110 G114H108-N112 PolarHBondContact CD2-ND2 3.44Å; H108-N112 PolarHBondContact NE2-ND2 2.85Å; H108-N112 VanDerWaalsContact O-CG 3.32Å; H108-N112 PolarHBondContact O-N 2.89Å; H108-N112 VanDerWaalsContact O-N 3.1Å; H108-N112 PolarHBondContact O-ND2 3.35Å; V109-N112 WeakPolarHBondContact O-CA 3.39Å; V109-N112 WeakPolarHBondContact O-CB 3.38Å; V109-N112 PolarHBondContact O-N 2.91Å; M110-N112 VanDerWaalsContact C-N 3.33Å; M110-N112 PolarHBondContact O-N 3.18Å; N112-G114 PolarHBondContact O-N 2.94Å
113L88.4Confident91.5Very high123 Ų12371.2 Ų71.264%0.64438%0.383SS*.THydrogen-bonded Turntrans-75.5-5.8172.5-67.4173.2000113V109 M110 T111V109-L113 HydrophobicContact CG1-CD1 4.2Å; V109-L113 WeakPolarHBondContact O-CG 3.24Å; V109-L113 PolarHBondContact O-N 3.45Å; M110-L113 CarbonylContact O-C 3.6Å; M110-L113 WeakPolarHBondContact O-CB 3.47Å; M110-L113 PolarHBondContact O-N 3.3Å; M110-L113 VanDerWaalsContact O-N 3.1Å; M110-L113 HydrophobicContact SD-CD1 4.18Å; T111-L113 VanDerWaalsContact C-N 3.29Å; T111-L113 PolarHBondContact O-N 3.45Å
114G88.8Confident91.5Very high58 Ų5875.5 Ų75.560%0.59840%0.399SS*.THydrogen-bonded Turntrans94.8-2.3-179.900000114.3M110 T111 N112M110-G114 PolarHBondContact O-N 2.97Å; T111-G114 PolarHBondContact O-N 2.7Å; T111-G114 VanDerWaalsContact O-N 3.11Å; N112-G114 PolarHBondContact O-N 2.94Å
115E90.2Very high91.4Very high115 Ų11576 Ų7654%0.53739%0.393SS..  trans-90.1114.9177.8-65.5-60.4156.300110.2M110 T111 L117M110-E115 CarbonylContact C-O 3.13Å; M110-E115 HydrophobicContact CB-CB 4.45Å; M110-E115 HydrophobicContact CE-CB 4.02Å; M110-E115 HydrophobicContact CE-CG 4.21Å; M110-E115 PolarHBondContact O-N 3.19Å; T111-E115 WeakPolarHBondContact CA-O 3.38Å; T111-E115 PolarHBondContact N-O 3.09Å; E115-L117 PolarHBondContact O-N 3.09Å
116K88.8Confident91.3Very high182 Ų18275.5 Ų75.579%0.79139%0.392SS*.  trans-94.492.7176.9-71.4-174.3-178.7179.70109.9
117L90.1Very high91.3Very high37 Ų3784.1 Ų84.119%0.19442%0.423CS..  trans-82.2140.7173.1-55.8178.3000110.7M110 E115 E121 V122 M125M110-L117 HydrophobicContact CB-CD1 3.81Å; M110-L117 HydrophobicContact CB-CG 4.26Å; M110-L117 HydrophobicContact CE-CD1 3.98Å; M110-L117 HydrophobicContact CG-CD1 3.71Å; E115-L117 PolarHBondContact O-N 3.09Å; L117-E121 WeakPolarHBondContact CA-OE2 3.5Å; L117-E121 HydrophobicContact CB-CB 4.24Å; L117-E121 HydrophobicContact CD2-CB 4.4Å; L117-V122 HydrophobicContact CB-CG2 3.67Å; L117-V122 HydrophobicContact CD1-CG2 4.09Å; L117-M125 HydrophobicContact CD1-SD 3.64Å
118T92.7Very high91.3Very high77 Ų7787.2 Ų87.247%0.47244%0.441SS..  trans-72.5160.7165.759.60000110.5D120 E121 V122T118-D120 PolarHBondContact O-N 3.02Å; T118-E121 WeakPolarHBondContact CB-OE2 3.18Å; T118-E121 PolarHBondContact N-OE2 3.25Å; T118-E121 PolarHBondContact O-N 3.34Å; T118-E121 VanDerWaalsContact OG1-CG 3.3Å; T118-E121 WeakPolarHBondContact OG1-CG 3.26Å; T118-E121 PolarHBondContact OG1-N 2.74Å; T118-E121 PolarHBondContact OG1-OE2 3.03Å; T118-V122 WeakPolarHBondContact O-CG2 3.27Å; T118-V122 PolarHBondContact O-N 2.85Å; T118-V122 VanDerWaalsContact O-N 3.09Å
119D91.5Very high91.2Very high97 Ų9783 Ų8352%0.51942%0.423SS..Hα-helixtrans-59.9-36.8177.3-68.3-35.4000111.3R107 E121 V122 D123R107-D119 IonicContact CZ-OD1 4Å; R107-D119 IonicContact NH1-OD1 3.05Å; R107-D119 PolarHBondContact NH1-OD1 3.42Å; D119-E121 PolarHBondContact O-N 3.39Å; D119-V122 PolarHBondContact O-N 3.11Å; D119-D123 WeakPolarHBondContact O-CB 3.39Å; D119-D123 VanDerWaalsContact O-CG 3.3Å; D119-D123 PolarHBondContact O-N 3.42Å
120D93.4Very high91.3Very high130 Ų13084 Ų8470%0.69543%0.428SS*.Hα-helixtrans-63.5-40.6176.6-67.8-26.2000112.4T118 D123 E124T118-D120 PolarHBondContact O-N 3.02Å; D120-D123 PolarHBondContact O-N 2.81Å; D120-E124 WeakPolarHBondContact O-CB 3.46Å; D120-E124 PolarHBondContact O-N 3.15Å
121E92.9Very high91.4Very high86 Ų8687.5 Ų87.540%0.40245%0.446SS..Hα-helixtrans-67.7-39.1177.2-74.5164.5140.300111.8L117 T118 D119 E124 M125L117-E121 WeakPolarHBondContact CA-OE2 3.5Å; L117-E121 HydrophobicContact CB-CB 4.24Å; L117-E121 HydrophobicContact CD2-CB 4.4Å; T118-E121 WeakPolarHBondContact CB-OE2 3.18Å; T118-E121 PolarHBondContact N-OE2 3.25Å; T118-E121 PolarHBondContact O-N 3.34Å; T118-E121 VanDerWaalsContact OG1-CG 3.3Å; T118-E121 WeakPolarHBondContact OG1-CG 3.26Å; T118-E121 PolarHBondContact OG1-N 2.74Å; T118-E121 PolarHBondContact OG1-OE2 3.03Å; D119-E121 PolarHBondContact O-N 3.39Å; E121-E124 PolarHBondContact O-N 2.98Å; E121-M125 WeakPolarHBondContact O-CG 3.16Å; E121-M125 PolarHBondContact O-N 2.68Å
122V93Very high91.5Very high1 Ų188.9 Ų88.91%0.00645%0.451CS..Hα-helixtrans-65.7-45.1176.1174.80000110.5A103 L106 R107 L117 T118 D119 E124 M125 I126A103-V122 HydrophobicContact CB-CG1 3.8Å; A103-V122 VanDerWaalsContact O-CG1 3.29Å; A103-V122 WeakPolarHBondContact O-CG1 3.37Å; L106-V122 HydrophobicContact CB-CG1 4.47Å; L106-V122 HydrophobicContact CD2-CG1 4.21Å; R107-V122 HydrophobicContact CB-CG1 4.36Å; R107-V122 HydrophobicContact CB-CG2 3.91Å; R107-V122 HydrophobicContact CG-CG2 4.14Å; L117-V122 HydrophobicContact CB-CG2 3.67Å; L117-V122 HydrophobicContact CD1-CG2 4.09Å; T118-V122 WeakPolarHBondContact O-CG2 3.27Å; T118-V122 PolarHBondContact O-N 2.85Å; T118-V122 VanDerWaalsContact O-N 3.09Å; D119-V122 PolarHBondContact O-N 3.11Å; V122-E124 VanDerWaalsContact C-N 3.3Å; V122-E124 PolarHBondContact O-N 3.43Å; V122-M125 PolarHBondContact O-N 2.9Å; V122-I126 WeakPolarHBondContact O-CG1 3.38Å; V122-I126 PolarHBondContact O-N 2.97Å
123D92.8Very high91.7Very high82 Ų8286.4 Ų86.444%0.43945%0.451SS..Hα-helixtrans-65-34.5178.7-74.5-13.6000111.9D119 D120 R127D119-D123 WeakPolarHBondContact O-CB 3.39Å; D119-D123 VanDerWaalsContact O-CG 3.3Å; D119-D123 PolarHBondContact O-N 3.42Å; D120-D123 PolarHBondContact O-N 2.81Å; D123-R127 VanDerWaalsContact O-CB 3.29Å; D123-R127 WeakPolarHBondContact O-CB 3.36Å; D123-R127 PolarHBondContact O-N 3.09Å
124E93.1Very high92Very high114 Ų11484.3 Ų84.353%0.53344%0.441SS..Hα-helixtrans-64.4-48.1172.8-173.6168.3-15500111.2D120 E121 V122 I126 R127 E128D120-E124 WeakPolarHBondContact O-CB 3.46Å; D120-E124 PolarHBondContact O-N 3.15Å; E121-E124 PolarHBondContact O-N 2.98Å; V122-E124 VanDerWaalsContact C-N 3.3Å; V122-E124 PolarHBondContact O-N 3.43Å; E124-I126 VanDerWaalsContact C-N 3.35Å; E124-I126 PolarHBondContact O-N 3.27Å; E124-R127 PolarHBondContact O-N 2.85Å; E124-E128 WeakPolarHBondContact O-CG 3.33Å; E124-E128 PolarHBondContact O-N 3.26Å
125M91.4Very high92.2Very high59 Ų5983.5 Ų83.529%0.29143%0.432SS..Hα-helixtrans-59-43.6177.1-71.8-179.272.300112.7L106 L117 E121 V122 E128 A129L106-M125 HydrophobicContact CD1-CE 4.35Å; L106-M125 HydrophobicContact CD2-CB 3.88Å; L106-M125 HydrophobicContact CD2-CE 4.27Å; L106-M125 HydrophobicContact CD2-SD 4.29Å; L117-M125 HydrophobicContact CD1-SD 3.64Å; E121-M125 WeakPolarHBondContact O-CG 3.16Å; E121-M125 PolarHBondContact O-N 2.68Å; V122-M125 PolarHBondContact O-N 2.9Å; M125-E128 PolarHBondContact O-N 2.98Å; M125-A129 WeakPolarHBondContact O-CB 3.38Å; M125-A129 PolarHBondContact O-N 3.05Å
126I93.4Very high92.4Very high10 Ų1081.2 Ų81.25%0.05142%0.422CS..Hα-helixtrans-63.9-47.2176.8-64.9-68.5000109.8A103 L106 V122 E124 E128 A129 D130 V137A103-I126 HydrophobicContact CB-CG1 4.12Å; L106-I126 HydrophobicContact CB-CD1 4.44Å; L106-I126 HydrophobicContact CD2-CD1 3.76Å; L106-I126 HydrophobicContact CD2-CG1 4.02Å; V122-I126 WeakPolarHBondContact O-CG1 3.38Å; V122-I126 PolarHBondContact O-N 2.97Å; E124-I126 VanDerWaalsContact C-N 3.35Å; E124-I126 PolarHBondContact O-N 3.27Å; I126-E128 VanDerWaalsContact C-N 3.27Å; I126-E128 PolarHBondContact O-N 2.82Å; I126-A129 WeakPolarHBondContact O-CB 3.44Å; I126-A129 PolarHBondContact O-N 2.93Å; I126-D130 HydrophobicContact CG2-CB 4.33Å; I126-D130 WeakPolarHBondContact O-CB 3.33Å; I126-D130 PolarHBondContact O-N 3.35Å; I126-V137 HydrophobicContact CD1-CG2 3.66Å; I126-V137 HydrophobicContact CG2-CG2 4.34Å
127R92.5Very high92.7Very high195 Ų19572.7 Ų72.774%0.73639%0.385SS*.Hα-helixtrans-61.7-33.1-179.2-175.5-176.1-68.2151.14.2113.3D123 E124 A129D123-R127 VanDerWaalsContact O-CB 3.29Å; D123-R127 WeakPolarHBondContact O-CB 3.36Å; D123-R127 PolarHBondContact O-N 3.09Å; E124-R127 PolarHBondContact O-N 2.85Å; R127-A129 VanDerWaalsContact C-N 3.29Å
128E91.2Very high93Very high154 Ų15472.4 Ų72.472%0.7238%0.384SS*.Hα-helixtrans-70.4-28.9176.1-73-171.5161.100112.7E124 M125 I126E124-E128 WeakPolarHBondContact O-CG 3.33Å; E124-E128 PolarHBondContact O-N 3.26Å; M125-E128 PolarHBondContact O-N 2.98Å; I126-E128 VanDerWaalsContact C-N 3.27Å; I126-E128 PolarHBondContact O-N 2.82Å
129A90.9Very high93Very high6 Ų671.3 Ų71.35%0.0537%0.371CS..Hα-helixtrans-89.8-40.9-176.600000113.5M125 I126 R127 I131 V137 E141 M145M125-A129 WeakPolarHBondContact O-CB 3.38Å; M125-A129 PolarHBondContact O-N 3.05Å; I126-A129 WeakPolarHBondContact O-CB 3.44Å; I126-A129 PolarHBondContact O-N 2.93Å; R127-A129 VanDerWaalsContact C-N 3.29Å; A129-I131 WeakPolarHBondContact O-CG1 3.45Å; A129-I131 PolarHBondContact O-N 3.25Å; A129-I131 VanDerWaalsContact O-N 3.1Å; A129-V137 HydrophobicContact CB-CB 4.47Å; A129-V137 HydrophobicContact CB-CG1 4.01Å; A129-V137 HydrophobicContact CB-CG2 3.56Å; A129-E141 WeakPolarHBondContact O-CB 3.17Å; A129-M145 HydrophobicContact CB-CE 3.16Å
130D93.6Very high93Very high27 Ų2772.4 Ų72.414%0.14437%0.373CS..  trans-70.994.4-175.3176.614000110I126 G133 D134 G135I126-D130 HydrophobicContact CG2-CB 4.33Å; I126-D130 WeakPolarHBondContact O-CB 3.33Å; I126-D130 PolarHBondContact O-N 3.35Å; D130-G133 WeakPolarHBondContact OD1-CA 3.47Å; D130-G133 PolarHBondContact OD1-N 3.49Å; D130-G133 VanDerWaalsContact OD2-C 3.31Å; D130-G133 VanDerWaalsContact OD2-CA 3.3Å; D130-G133 WeakPolarHBondContact OD2-CA 3.41Å; D130-D134 PolarHBondContact OD1-N 2.88Å; D130-D134 VanDerWaalsContact OD1-N 3.15Å; D130-D134 PolarHBondContact OD2-N 3.31Å; D130-G135 VanDerWaalsContact OD2-CA 3.3Å; D130-G135 WeakPolarHBondContact OD2-CA 3.24Å; D130-G135 PolarHBondContact OD2-N 2.87Å
131I91.9Very high93Very high108 Ų10866.4 Ų66.455%0.55434%0.341SS*.SBendtrans-88.2-26.2-177.2-24.1178000110.9A129 E141 K144A129-I131 WeakPolarHBondContact O-CG1 3.45Å; A129-I131 PolarHBondContact O-N 3.25Å; A129-I131 VanDerWaalsContact O-N 3.1Å; I131-E141 HydrophobicContact CG1-CG 4.12Å; I131-E141 PolarHBondContact N-OE1 3.38Å; I131-K144 HydrophobicContact CD1-CD 3.57Å
132D93.2Very high92.9Very high96 Ų9662.8 Ų62.851%0.51332%0.324SS..SBendtrans-86.1-16.9177.374.523.8000113.9D134 N138 E141D132-D134 WeakPolarHBondContact OD1-CB 3.46Å; D132-D134 PolarHBondContact OD1-N 3.44Å; D132-N138 PolarHBondContact OD2-ND2 2.86Å; D132-E141 PolarHBondContact N-OE1 2.73Å; D132-E141 VanDerWaalsContact N-OE1 3.16Å
133G91.9Very high92.6Very high57 Ų5764.2 Ų64.259%0.58833%0.333SS*.  trans82.422.9173.100000114.2D130 G135D130-G133 WeakPolarHBondContact OD1-CA 3.47Å; D130-G133 PolarHBondContact OD1-N 3.49Å; D130-G133 VanDerWaalsContact OD2-C 3.31Å; D130-G133 VanDerWaalsContact OD2-CA 3.3Å; D130-G133 WeakPolarHBondContact OD2-CA 3.41Å; G133-G135 VanDerWaalsContact C-N 3.28Å
134D94.1Very high92.3Very high79 Ų7965.7 Ų65.742%0.42234%0.335SS..SBendtrans-80.5-7.1-179.484-0.6000114.3D130 D132 Q136D130-D134 PolarHBondContact OD1-N 2.88Å; D130-D134 VanDerWaalsContact OD1-N 3.15Å; D130-D134 PolarHBondContact OD2-N 3.31Å; D132-D134 WeakPolarHBondContact OD1-CB 3.46Å; D132-D134 PolarHBondContact OD1-N 3.44Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.41Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.39Å; D134-Q136 PolarHBondContact OD1-N 2.78Å
135G93.4Very high91.8Very high41 Ų4164.1 Ų64.142%0.42333%0.329SS..SBendtrans84.611179.900000114.2D130 G133D130-G135 VanDerWaalsContact OD2-CA 3.3Å; D130-G135 WeakPolarHBondContact OD2-CA 3.24Å; D130-G135 PolarHBondContact OD2-N 2.87Å; G133-G135 VanDerWaalsContact C-N 3.28Å
136Q94.9Very high91.3Very high67 Ų6766 Ų6631%0.31334%0.338SS..SBendtrans-134.8172.4176.2-51.8-171.61.300109.4F100 D134F100-Q136 HydrophobicContact CB-CB 4.11Å; F100-Q136 VanDerWaalsContact CB-OE1 3.26Å; F100-Q136 HydrophobicContact CD1-CB 4.35Å; D134-Q136 WeakPolarHBondContact OD1-CA 3.41Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.39Å; D134-Q136 PolarHBondContact OD1-N 2.78Å
137V95.6Very high90.4Very high4 Ų469.3 Ų69.32%0.02436%0.359CS..EExtended strand (participates in β ladder)trans-116.5113.3178.8-176.40000109.2F100 I101 I126 A129 E141 F142F100-V137 CarbonylContact C-O 3.54Å; F100-V137 WeakPolarHBondContact CA-O 3.43Å; I101-V137 HydrophobicContact CB-CB 4.29Å; I101-V137 PolarHBondContact N-O 2.99Å; I101-V137 PolarHBondContact O-N 3.42Å; I126-V137 HydrophobicContact CD1-CG2 3.66Å; I126-V137 HydrophobicContact CG2-CG2 4.34Å; A129-V137 HydrophobicContact CB-CB 4.47Å; A129-V137 HydrophobicContact CB-CG1 4.01Å; A129-V137 HydrophobicContact CB-CG2 3.56Å; V137-E141 WeakPolarHBondContact CA-OE2 3.42Å; V137-E141 HydrophobicContact CG1-CB 3.72Å; V137-F142 HydrophobicContact CG1-CB 4Å
138N95.4Very high89.2Confident30 Ų3063.8 Ų63.816%0.1636%0.355CS..EExtended strand (participates in β ladder)trans-79.9171.817469.355.9000111.6F100 D132 E140 E141 F142F100-N138 HydrophobicContact CD1-CB 3.8Å; F100-N138 HydrophobicContact CE1-CB 3.79Å; D132-N138 PolarHBondContact OD2-ND2 2.86Å; N138-E140 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 3.26Å; N138-E140 WeakPolarHBondContact OD1-CB 3.5Å; N138-E140 PolarHBondContact OD1-N 2.95Å; N138-E141 VanDerWaalsContact CG-OE2 3.26Å; N138-E141 PolarHBondContact N-OE2 2.81Å; N138-E141 PolarHBondContact ND2-OE2 2.86Å; N138-E141 PolarHBondContact O-N 3.19Å; N138-E141 WeakPolarHBondContact OD1-CG 3.44Å; N138-E141 PolarHBondContact OD1-N 2.76Å; N138-E141 VanDerWaalsContact OD1-N 3.08Å; N138-F142 PolarHBondContact O-N 2.93Å
139Y92.5Very high86.8Confident54 Ų5468.4 Ų68.421%0.21237%0.373CS..Hα-helixtrans-57.2-42-177.6179.5-102.8000113.6R87 F90 E141 F142 V143R87-Y139 HydrophobicContact CB-CE2 4.15Å; R87-Y139 HydrophobicContact CG-CE2 4.41Å; F90-Y139 HydrophobicContact CB-CD2 4.18Å; F90-Y139 HydrophobicContact CB-CE2 4.47Å; F90-Y139 HydrophobicContact CD1-CD2 4.24Å; F90-Y139 HydrophobicContact CD2-CD2 4.11Å; F90-Y139 AromaticContact CG-CD2 3.89Å; F90-Y139 HydrophobicContact CG-CD2 3.89Å; Y139-E141 VanDerWaalsContact C-N 3.33Å; Y139-E141 PolarHBondContact O-N 2.79Å; Y139-F142 PolarHBondContact O-N 3.01Å; Y139-V143 HydrophobicContact CD1-CG2 4.03Å; Y139-V143 HydrophobicContact CD2-CG2 4.37Å; Y139-V143 HydrophobicContact CE1-CG2 3.61Å; Y139-V143 HydrophobicContact CE2-CG2 3.99Å; Y139-V143 HydrophobicContact CG-CG2 4.4Å; Y139-V143 WeakPolarHBondContact O-CG2 3.37Å; Y139-V143 PolarHBondContact O-N 2.77Å
140E91.4Very high86.6Confident121 Ų12171.5 Ų71.557%0.56539%0.389SS*.Hα-helixtrans-67.3-36.4-178.1-65.9-65.7146.600111.7N138 K144N138-E140 VanDerWaalsContact C-N 3.33Å; N138-E140 PolarHBondContact O-N 3.26Å; N138-E140 WeakPolarHBondContact OD1-CB 3.5Å; N138-E140 PolarHBondContact OD1-N 2.95Å; E140-K144 WeakPolarHBondContact O-CG 3.33Å; E140-K144 PolarHBondContact O-N 2.82Å
141E93Very high86.3Confident4 Ų473.8 Ų73.82%0.01940%0.402CS..Hα-helixtrans-69-42.9175.5-6717414900111.5A129 I131 D132 V137 N138 Y139 V143 K144 M145A129-E141 WeakPolarHBondContact O-CB 3.17Å; I131-E141 HydrophobicContact CG1-CG 4.12Å; I131-E141 PolarHBondContact N-OE1 3.38Å; D132-E141 PolarHBondContact N-OE1 2.73Å; D132-E141 VanDerWaalsContact N-OE1 3.16Å; V137-E141 WeakPolarHBondContact CA-OE2 3.42Å; V137-E141 HydrophobicContact CG1-CB 3.72Å; N138-E141 VanDerWaalsContact CG-OE2 3.26Å; N138-E141 PolarHBondContact N-OE2 2.81Å; N138-E141 PolarHBondContact ND2-OE2 2.86Å; N138-E141 PolarHBondContact O-N 3.19Å; N138-E141 WeakPolarHBondContact OD1-CG 3.44Å; N138-E141 PolarHBondContact OD1-N 2.76Å; N138-E141 VanDerWaalsContact OD1-N 3.08Å; Y139-E141 VanDerWaalsContact C-N 3.33Å; Y139-E141 PolarHBondContact O-N 2.79Å; E141-V143 PolarHBondContact O-N 3.31Å; E141-K144 PolarHBondContact O-N 2.65Å; E141-M145 PolarHBondContact O-N 2.88Å
142F90.9Very high86Confident10 Ų1071.9 Ų71.94%0.04439%0.393CS..Hα-helixtrans-62.7-42174.4-171.3-98.9000112I86 A89 F90 F93 I101 V137 N138 Y139 M145 M146I86-F142 HydrophobicContact CG2-CD1 3.79Å; I86-F142 HydrophobicContact CG2-CE1 3.97Å; A89-F142 HydrophobicContact CB-CE1 4.11Å; A89-F142 HydrophobicContact CB-CZ 4.17Å; F90-F142 HydrophobicContact CB-CD1 4.04Å; F90-F142 HydrophobicContact CB-CE1 4.13Å; F90-F142 HydrophobicContact CD2-CB 3.64Å; F90-F142 AromaticContact CD2-CD1 3.74Å; F90-F142 HydrophobicContact CD2-CD1 3.74Å; F90-F142 HydrophobicContact CD2-CD2 4.3Å; F90-F142 HydrophobicContact CD2-CE1 4.47Å; F90-F142 AromaticContact CD2-CG 3.64Å; F90-F142 HydrophobicContact CD2-CG 3.64Å; F90-F142 HydrophobicContact CE2-CB 3.92Å; F90-F142 HydrophobicContact CE2-CG 4.31Å; F90-F142 HydrophobicContact CG-CD1 4.41Å; F93-F142 AromaticContact CD2-CE2 3.89Å; F93-F142 HydrophobicContact CD2-CE2 3.89Å; F93-F142 AromaticContact CD2-CZ 3.84Å; F93-F142 HydrophobicContact CD2-CZ 3.84Å; F93-F142 HydrophobicContact CE2-CE2 4.08Å; F93-F142 AromaticContact CE2-CZ 3.95Å; F93-F142 HydrophobicContact CE2-CZ 3.95Å; I101-F142 HydrophobicContact CD1-CD2 3.49Å; I101-F142 VanDerWaalsContact CD1-CD2 3.49Å; I101-F142 HydrophobicContact CD1-CE2 3.8Å; I101-F142 HydrophobicContact CD1-CG 4.09Å; V137-F142 HydrophobicContact CG1-CB 4Å; N138-F142 PolarHBondContact O-N 2.93Å; Y139-F142 PolarHBondContact O-N 3.01Å; F142-M145 WeakPolarHBondContact O-CB 3.29Å; F142-M145 PolarHBondContact O-N 2.74Å; F142-M146 HydrophobicContact CD1-CG 4.12Å; F142-M146 HydrophobicContact CE1-CG 3.8Å; F142-M146 HydrophobicContact CZ-CG 4.06Å; F142-M146 HydrophobicContact CZ-SD 4.35Å; F142-M146 WeakPolarHBondContact O-CG 3.46Å; F142-M146 PolarHBondContact O-N 2.79Å
143V88Confident85.5Confident31 Ų3170.5 Ų70.519%0.18839%0.386CS..Hα-helixtrans-60.1-47.2173.6170.40000110.3I86 Y139 E141 M145 M146 T147I86-V143 HydrophobicContact CG2-CG2 3.75Å; Y139-V143 HydrophobicContact CD1-CG2 4.03Å; Y139-V143 HydrophobicContact CD2-CG2 4.37Å; Y139-V143 HydrophobicContact CE1-CG2 3.61Å; Y139-V143 HydrophobicContact CE2-CG2 3.99Å; Y139-V143 HydrophobicContact CG-CG2 4.4Å; Y139-V143 WeakPolarHBondContact O-CG2 3.37Å; Y139-V143 PolarHBondContact O-N 2.77Å; E141-V143 PolarHBondContact O-N 3.31Å; V143-M145 VanDerWaalsContact C-N 3.32Å; V143-M145 PolarHBondContact O-N 3.45Å; V143-M146 PolarHBondContact O-N 3.08Å; V143-T147 HydrophobicContact CG1-CG2 3.97Å; V143-T147 VanDerWaalsContact O-CB 3.3Å; V143-T147 WeakPolarHBondContact O-CB 3.31Å; V143-T147 VanDerWaalsContact O-CG2 3.27Å; V143-T147 WeakPolarHBondContact O-CG2 3.09Å; V143-T147 PolarHBondContact O-N 3.34Å; V143-T147 PolarHBondContact O-OG1 2.69Å
144K85.6Confident85.1Confident112 Ų11271.4 Ų71.449%0.48737%0.373SS..Hα-helixtrans-59.4-42.5177-77173.7-175.6169.10112.1I131 E140 E141 A148I131-K144 HydrophobicContact CD1-CD 3.57Å; E140-K144 WeakPolarHBondContact O-CG 3.33Å; E140-K144 PolarHBondContact O-N 2.82Å; E141-K144 PolarHBondContact O-N 2.65Å; K144-A148 WeakPolarHBondContact O-CB 3.11Å; K144-A148 PolarHBondContact O-N 2.89Å
145M83.8Confident84.5Confident81 Ų8170.9 Ų70.940%0.39937%0.37SS..Hα-helixtrans-58.8-47174.7-178.1-162.7-6200111.9A129 E141 F142 V143A129-M145 HydrophobicContact CB-CE 3.16Å; E141-M145 PolarHBondContact O-N 2.88Å; F142-M145 WeakPolarHBondContact O-CB 3.29Å; F142-M145 PolarHBondContact O-N 2.74Å; V143-M145 VanDerWaalsContact C-N 3.32Å; V143-M145 PolarHBondContact O-N 3.45Å
146M80.8Confident83.9Confident98 Ų9873 Ų7348%0.48337%0.366SS..Hα-helixtrans-75-28.6-176-70.9-62.8-61.200113.5I86 F142 V143I86-M146 HydrophobicContact CD1-CB 3.9Å; I86-M146 HydrophobicContact CG1-CB 3.91Å; I86-M146 HydrophobicContact CG1-CG 4.33Å; F142-M146 HydrophobicContact CD1-CG 4.12Å; F142-M146 HydrophobicContact CE1-CG 3.8Å; F142-M146 HydrophobicContact CZ-CG 4.06Å; F142-M146 HydrophobicContact CZ-SD 4.35Å; F142-M146 WeakPolarHBondContact O-CG 3.46Å; F142-M146 PolarHBondContact O-N 2.79Å; V143-M146 PolarHBondContact O-N 3.08Å
147T74Confident83.1Confident80 Ų8073.5 Ų73.549%0.49137%0.37SS..Hα-helixtrans-96.6-15.3-176.759.40000113.7I86 V143 K149I86-T147 HydrophobicContact CD1-CG2 3.77Å; V143-T147 HydrophobicContact CG1-CG2 3.97Å; V143-T147 VanDerWaalsContact O-CB 3.3Å; V143-T147 WeakPolarHBondContact O-CB 3.31Å; V143-T147 VanDerWaalsContact O-CG2 3.27Å; V143-T147 WeakPolarHBondContact O-CG2 3.09Å; V143-T147 PolarHBondContact O-N 3.34Å; V143-T147 PolarHBondContact O-OG1 2.69Å; T147-K149 PolarHBondContact O-N 2.95Å
148A67.4Low82Confident79 Ų7979.3 Ų79.365%0.65340%0.399SS*.  trans-62.897.8173.200000110K144K144-A148 WeakPolarHBondContact O-CB 3.11Å; K144-A148 PolarHBondContact O-N 2.89Å
149K41.3Very low80.8Confident251 Ų25183.7 Ų83.7100%1.09142%0.421SS*.  trans-116.60167-77.7-174.1177.31740110T147T147-K149 PolarHBondContact O-N 2.95Å

Retrieved 149 of 149 residues in 198.2 ms (Link to these results)

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