A0A087WXV3_HUMAN Loading...

TAR DNA binding protein

AlphaFold DB , UniProt , Accession A0A087WXV3, Species HUMAN (Homo sapiens, Human), Gene TARDBP, Length 175 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
1K80.4Confident87.4Confident150 Ų15080.1 Ų80.165%0.65241%0.407SS*.  0-56.80-174.9178.2177-175.70109.3Y3 F4 S5 V10 V13K1-Y3 VanDerWaalsContact C-N 3.34Å; K1-Y3 PolarHBondContact O-N 2.94Å; K1-F4 PolarHBondContact O-N 2.87Å; K1-S5 PolarHBondContact O-N 3.39Å; K1-S5 PolarHBondContact O-OG 3.26Å; K1-V10 HydrophobicContact CG-CG1 4.32Å; K1-V13 HydrophobicContact CB-CB 4.44Å; K1-V13 HydrophobicContact CB-CG2 3.78Å; K1-V13 HydrophobicContact CG-CG2 3.93Å
2E88.7Confident86.8Confident174 Ų17482.1 Ų82.181%0.81342%0.415SS*.Hα-helixtrans-42.9-53.1176.6-68.6156.4-149.900113.9F4 S5E2-F4 PolarHBondContact O-N 2.73Å; E2-S5 WeakPolarHBondContact O-CB 3.37Å; E2-S5 PolarHBondContact O-N 2.85Å
3Y90.2Very high86.7Confident78 Ų7880.3 Ų80.331%0.30641%0.411SS..Hα-helixtrans-56.5-48.9178178.8-97.3000113.4K1 S5 T6 F7 H46 I48K1-Y3 VanDerWaalsContact C-N 3.34Å; K1-Y3 PolarHBondContact O-N 2.94Å; Y3-S5 VanDerWaalsContact C-N 3.31Å; Y3-S5 PolarHBondContact O-N 3.19Å; Y3-T6 WeakPolarHBondContact O-CB 3.34Å; Y3-T6 WeakPolarHBondContact O-CG2 3.41Å; Y3-T6 PolarHBondContact O-N 3.43Å; Y3-T6 PolarHBondContact O-OG1 3.12Å; Y3-F7 HydrophobicContact CD1-CE2 4.4Å; Y3-F7 AromaticContact CE1-CE2 3.81Å; Y3-F7 HydrophobicContact CE1-CE2 3.81Å; Y3-F7 AromaticContact CZ-CE2 3.97Å; Y3-H46 HydrophobicContact CE1-CB 3.63Å; Y3-H46 AromaticContact CE1-CG 3.77Å; Y3-H46 AromaticContact CE1-ND1 3.42Å; Y3-H46 WeakPolarHBondContact CE1-ND1 3.39Å; Y3-H46 AromaticContact CZ-ND1 3.65Å; Y3-H46 WeakPolarHBondContact OH-CB 3.42Å; Y3-H46 PolarHBondContact OH-ND1 2.91Å; Y3-I48 HydrophobicContact CD1-CD1 3.81Å; Y3-I48 HydrophobicContact CD1-CG1 3.76Å; Y3-I48 HydrophobicContact CE1-CD1 4.07Å; Y3-I48 HydrophobicContact CE1-CG1 3.88Å; Y3-I48 HydrophobicContact CG-CG1 4.16Å
4F90.2Very high86.6Confident12 Ų1280.1 Ų80.15%0.05341%0.407CS..Hα-helixtrans-72-25.2-178.3-74.9-66000113.1K1 E2 T6 F7 V10 V30 F32 V41 I48 V173K1-F4 PolarHBondContact O-N 2.87Å; E2-F4 PolarHBondContact O-N 2.73Å; F4-T6 PolarHBondContact O-N 3.41Å; F4-T6 VanDerWaalsContact O-N 3.15Å; F4-F7 PolarHBondContact O-N 3.22Å; F4-V10 HydrophobicContact CB-CG2 3.85Å; F4-V30 HydrophobicContact CB-CG2 4.09Å; F4-V30 HydrophobicContact CD2-CB 4.44Å; F4-V30 HydrophobicContact CD2-CG2 4.27Å; F4-V30 HydrophobicContact CG-CG2 4.13Å; F4-F32 HydrophobicContact CB-CE1 4.2Å; F4-F32 HydrophobicContact CB-CZ 3.86Å; F4-F32 AromaticContact CD1-CZ 3.89Å; F4-F32 HydrophobicContact CD1-CZ 3.89Å; F4-F32 HydrophobicContact CG-CZ 4.19Å; F4-F32 WeakPolarHBondContact O-CE1 3.41Å; F4-V41 HydrophobicContact CD1-CG1 4.09Å; F4-V41 HydrophobicContact CE1-CG1 3.7Å; F4-I48 HydrophobicContact CE2-CD1 3.56Å; F4-I48 HydrophobicContact CZ-CD1 3.6Å; F4-V173 HydrophobicContact CE2-CG1 4.2Å; F4-V173 HydrophobicContact CE2-CG2 3.87Å; F4-V173 HydrophobicContact CZ-CB 4.41Å; F4-V173 HydrophobicContact CZ-CG1 3.88Å; F4-V173 HydrophobicContact CZ-CG2 3.64Å
5S90.4Very high86.5Confident58 Ų5879.2 Ų79.241%0.40641%0.407SS..Hα-helixtrans-62-17.1173.4-68.60000113.3K1 E2 Y3 F7 G8K1-S5 PolarHBondContact O-N 3.39Å; K1-S5 PolarHBondContact O-OG 3.26Å; E2-S5 WeakPolarHBondContact O-CB 3.37Å; E2-S5 PolarHBondContact O-N 2.85Å; Y3-S5 VanDerWaalsContact C-N 3.31Å; Y3-S5 PolarHBondContact O-N 3.19Å; S5-F7 VanDerWaalsContact C-N 3.27Å; S5-F7 PolarHBondContact O-N 3.42Å; S5-G8 WeakPolarHBondContact CA-O 3.4Å
6T91.2Very high86.3Confident107 Ų10777.8 Ų77.866%0.65640%0.397SS*.THydrogen-bonded Turntrans-71.8-19.8173.667.70000113.6Y3 F4Y3-T6 WeakPolarHBondContact O-CB 3.34Å; Y3-T6 WeakPolarHBondContact O-CG2 3.41Å; Y3-T6 PolarHBondContact O-N 3.43Å; Y3-T6 PolarHBondContact O-OG1 3.12Å; F4-T6 PolarHBondContact O-N 3.41Å; F4-T6 VanDerWaalsContact O-N 3.15Å
7F86.8Confident86.2Confident41 Ų4180.6 Ų80.618%0.1841%0.406CS..THydrogen-bonded Turntrans-93.5-25-179.5-66.8-86.8000112.9Y3 F4 S5 T37 V41 H46Y3-F7 HydrophobicContact CD1-CE2 4.4Å; Y3-F7 AromaticContact CE1-CE2 3.81Å; Y3-F7 HydrophobicContact CE1-CE2 3.81Å; Y3-F7 AromaticContact CZ-CE2 3.97Å; F4-F7 PolarHBondContact O-N 3.22Å; S5-F7 VanDerWaalsContact C-N 3.27Å; S5-F7 PolarHBondContact O-N 3.42Å; F7-T37 HydrophobicContact CB-CG2 3.88Å; F7-T37 WeakPolarHBondContact O-CG2 3.38Å; F7-V41 HydrophobicContact CB-CG2 3.74Å; F7-V41 HydrophobicContact CD1-CG2 3.95Å; F7-V41 HydrophobicContact CD2-CG2 4.19Å; F7-V41 HydrophobicContact CG-CG2 3.68Å; F7-H46 AromaticContact CE2-CE1 3.92Å; F7-H46 AromaticContact CE2-ND1 3.84Å; F7-H46 AromaticContact CZ-CE1 3.59Å; F7-H46 AromaticContact CZ-ND1 3.67Å
8G87.5Confident85.8Confident21 Ų2179.1 Ų79.122%0.21640%0.399CS..SBendtrans166179.7-179.700000111.3S5 V10S5-G8 WeakPolarHBondContact CA-O 3.4Å; G8-V10 PolarHBondContact O-N 3.4Å
9E87.1Confident85.3Confident135 Ų13584.4 Ų84.463%0.63143%0.428SS*.  trans-67.8123.6-178.2-173.4-178.7169.700111.3F32 T33E9-F32 WeakPolarHBondContact O-CA 3.3Å; E9-T33 HydrophobicContact CB-CG2 3.57Å; E9-T33 HydrophobicContact CG-CG2 3.57Å; E9-T33 PolarHBondContact O-N 3.4Å
10V87.1Confident84.9Confident11 Ų1190.2 Ų90.27%0.06745%0.45CS..EExtended strand (participates in β ladder)trans-99.2108.6-178.51790000109.6K1 F4 G8 M12 V13 V30 R31 F32K1-V10 HydrophobicContact CG-CG1 4.32Å; F4-V10 HydrophobicContact CB-CG2 3.85Å; G8-V10 PolarHBondContact O-N 3.4Å; V10-M12 WeakPolarHBondContact CG1-O 3.36Å; V10-V13 HydrophobicContact CG1-CG2 3.54Å; V10-V30 HydrophobicContact CG1-CG2 3.71Å; V10-V30 HydrophobicContact CG2-CG2 4.31Å; V10-R31 CarbonylContact C-O 3.49Å; V10-F32 HydrophobicContact CG2-CD1 3.92Å; V10-F32 HydrophobicContact CG2-CE1 3.53Å; V10-F32 HydrophobicContact CG2-CZ 4.33Å
11L81.6Confident84.8Confident94 Ų9490.1 Ų90.149%0.49245%0.454SS..EExtended strand (participates in β ladder)trans-67.4-41.9174.9-69.4178.6000112.2R31 T33L11-R31 HydrophobicContact CB-CB 4.36Å; L11-R31 HydrophobicContact CB-CG 4.3Å; L11-R31 HydrophobicContact CD1-CG 4.31Å; L11-R31 PolarHBondContact N-O 3.04Å; L11-T33 HydrophobicContact CD1-CG2 4.25Å; L11-T33 HydrophobicContact CD2-CG2 3.65Å; L11-T33 HydrophobicContact CG-CG2 3.67Å
12M80.7Confident84.8Confident104 Ų10485.1 Ų85.151%0.51245%0.446SS..EExtended strand (participates in β ladder)trans-149.9143.4-173-167.1-175.8-162.900112V10 V30 R31V10-M12 WeakPolarHBondContact CG1-O 3.36Å; M12-V30 CarbonylContact O-C 3.58Å; M12-V30 VanDerWaalsContact O-CA 3.32Å; M12-V30 WeakPolarHBondContact O-CA 3.46Å; M12-R31 HydrophobicContact CB-CB 3.94Å; M12-R31 PolarHBondContact N-O 2.78Å; M12-R31 PolarHBondContact O-N 2.95Å
13V85.7Confident84.4Confident59 Ų5983.3 Ų83.336%0.35844%0.437SS..EExtended strand (participates in β ladder)trans-130.8133.9163.4-176.60000109K1 V10 F29 V30K1-V13 HydrophobicContact CB-CB 4.44Å; K1-V13 HydrophobicContact CB-CG2 3.78Å; K1-V13 HydrophobicContact CG-CG2 3.93Å; V10-V13 HydrophobicContact CG1-CG2 3.54Å; V13-F29 CarbonylContact C-O 3.45Å; V13-F29 VanDerWaalsContact CA-O 3.28Å; V13-F29 WeakPolarHBondContact CA-O 3.17Å; V13-V30 HydrophobicContact CG2-CG2 4.13Å
14Q84.4Confident84Confident77 Ų7782.8 Ų82.836%0.3644%0.444SS..EExtended strand (participates in β ladder)trans-138.6106.2178.4-172.6-179.956.400111G28 F29Q14-G28 CarbonylContact O-C 3.54Å; Q14-G28 WeakPolarHBondContact O-CA 3.44Å; Q14-F29 PolarHBondContact N-O 3.42Å; Q14-F29 PolarHBondContact O-N 2.76Å
15V86.1Confident83.5Confident67 Ų6787.7 Ų87.741%0.40647%0.466SS..EExtended strand (participates in β ladder)trans-79.4127.5172-178.20000109K17 L175V15-K17 HydrophobicContact CG1-CG 4.45Å; V15-L175 HydrophobicContact CG1-CD1 4.25Å
16K83.3Confident83.2Confident56 Ų5686 Ų8624%0.24346%0.458CS..EExtended strand (participates in β ladder)trans-84.4122.5176.2-69.5-59.3-177.5-175.60109.6K25 F27 F29K16-K25 HydrophobicContact CB-CB 4.49Å; K16-K25 WeakPolarHBondContact O-CB 3.16Å; K16-K25 PolarHBondContact O-N 3.35Å; K16-F27 HydrophobicContact CB-CD2 4.16Å; K16-F27 HydrophobicContact CB-CE1 4.21Å; K16-F27 HydrophobicContact CB-CE2 3.73Å; K16-F27 HydrophobicContact CB-CZ 3.74Å; K16-F27 HydrophobicContact CG-CD2 4.07Å; K16-F27 HydrophobicContact CG-CE2 3.46Å; K16-F27 VanDerWaalsContact CG-CE2 3.46Å; K16-F27 HydrophobicContact CG-CZ 3.84Å; K16-F27 PolarHBondContact N-O 2.88Å; K16-F29 HydrophobicContact CD-CE2 4.19Å; K16-F29 VanDerWaalsContact CE-CE2 3.43Å; K16-F29 HydrophobicContact CG-CD2 4.09Å; K16-F29 HydrophobicContact CG-CE2 3.65Å
17K84.1Confident82.9Confident126 Ų12683.1 Ų83.155%0.54844%0.436SS..EExtended strand (participates in β ladder)trans-113.2156.2175.1-60.2179.8179.2-172.90109.5V15 H23V15-K17 HydrophobicContact CG1-CG 4.45Å; K17-H23 CarbonylContact C-O 3.51Å; K17-H23 VanDerWaalsContact CA-O 3.23Å; K17-H23 WeakPolarHBondContact CA-O 3.44Å
18D78.2Confident82.9Confident53 Ų5381.3 Ų81.328%0.28343%0.429SS..  trans-68132165.6-162.2-73.6000109.4K20 T21 G22 H23 K25D18-K20 VanDerWaalsContact C-N 3.34Å; D18-K20 WeakPolarHBondContact OD1-CB 3.48Å; D18-K20 PolarHBondContact OD1-N 3.15Å; D18-T21 WeakPolarHBondContact CB-OG1 3.34Å; D18-T21 PolarHBondContact OD1-N 3.28Å; D18-G22 WeakPolarHBondContact O-CA 3.35Å; D18-G22 PolarHBondContact O-N 3.14Å; D18-H23 PolarHBondContact N-O 3.44Å; D18-K25 IonicContact OD2-NZ 3.62Å
19L76.1Confident82.9Confident181 Ų18182.3 Ų82.395%0.94843%0.428SS*.THydrogen-bonded Turntrans-74.6-27-176.8-74.8159000112.2
20K78Confident83Confident200 Ų20076 Ų7687%0.8740%0.398SS*.THydrogen-bonded Turntrans-84.3-40.6-179.2-62.7-175179-176.30111.1D18D18-K20 VanDerWaalsContact C-N 3.34Å; D18-K20 WeakPolarHBondContact OD1-CB 3.48Å; D18-K20 PolarHBondContact OD1-N 3.15Å
21T83.8Confident82.8Confident88 Ų8880 Ų8054%0.5441%0.412SS..THydrogen-bonded Turntrans-105.8-15-172.673.50000113.6D18 H23D18-T21 WeakPolarHBondContact CB-OG1 3.34Å; D18-T21 PolarHBondContact OD1-N 3.28Å; T21-H23 PolarHBondContact O-CD2 3.37Å; T21-H23 VanDerWaalsContact O-CD2 3.29Å; T21-H23 PolarHBondContact O-N 3.41Å; T21-H23 VanDerWaalsContact O-N 3.15Å; T21-H23 PolarHBondContact OG1-CD2 3.37Å; T21-H23 PolarHBondContact OG1-N 2.63Å
22G80.4Confident82.9Confident46 Ų4675.5 Ų75.547%0.47439%0.389SS..  trans73.1-5.5-175.500000114.5D18D18-G22 WeakPolarHBondContact O-CA 3.35Å; D18-G22 PolarHBondContact O-N 3.14Å
23H79.3Confident83Confident136 Ų13672.8 Ų72.863%0.6338%0.378SS*.  trans-69.1143.7-179.4-76.2-99.7000111.7K17 D18 T21K17-H23 CarbonylContact C-O 3.51Å; K17-H23 VanDerWaalsContact CA-O 3.23Å; K17-H23 WeakPolarHBondContact CA-O 3.44Å; D18-H23 PolarHBondContact N-O 3.44Å; T21-H23 PolarHBondContact O-CD2 3.37Å; T21-H23 VanDerWaalsContact O-CD2 3.29Å; T21-H23 PolarHBondContact O-N 3.41Å; T21-H23 VanDerWaalsContact O-N 3.15Å; T21-H23 PolarHBondContact OG1-CD2 3.37Å; T21-H23 PolarHBondContact OG1-N 2.63Å
24S82.4Confident82.6Confident66 Ų6675.3 Ų75.346%0.46239%0.386SS..EExtended strand (participates in β ladder)trans-61137.9173.7-176.80000110.8G26S24-G26 PolarHBondContact O-N 2.99Å; S24-G26 PolarHBondContact OG-N 3.49Å
25K80.3Confident82.1Confident115 Ų11576.8 Ų76.850%0.539%0.389SS..EExtended strand (participates in β ladder)trans-80.37.1172.7-63.8-165172.7-166.60113K16 D18 F27K16-K25 HydrophobicContact CB-CB 4.49Å; K16-K25 WeakPolarHBondContact O-CB 3.16Å; K16-K25 PolarHBondContact O-N 3.35Å; D18-K25 IonicContact OD2-NZ 3.62Å; K25-F27 VanDerWaalsContact C-N 3.28Å; K25-F27 HydrophobicContact CB-CD1 3.78Å; K25-F27 HydrophobicContact CB-CE1 3.53Å; K25-F27 HydrophobicContact CB-CZ 4.49Å; K25-F27 HydrophobicContact CD-CE1 4.21Å; K25-F27 HydrophobicContact CG-CE1 4.48Å; K25-F27 WeakPolarHBondContact O-CD1 3.37Å; K25-F27 PolarHBondContact O-N 3.48Å
26G82.1Confident81.7Confident23 Ų2381.1 Ų81.124%0.23741%0.405CS..EExtended strand (participates in β ladder)trans7024.6-176.800000112.9S24 L175S24-G26 PolarHBondContact O-N 2.99Å; S24-G26 PolarHBondContact OG-N 3.49Å; G26-L175 PolarHBondContact O-N 3.43Å
27F85.3Confident81.6Confident46 Ų4679.2 Ų79.220%0.20240%0.398CS..EExtended strand (participates in β ladder)trans-156.5158.7170.472.1-85.5000112.2K16 K25 F29 K172 V173K16-F27 HydrophobicContact CB-CD2 4.16Å; K16-F27 HydrophobicContact CB-CE1 4.21Å; K16-F27 HydrophobicContact CB-CE2 3.73Å; K16-F27 HydrophobicContact CB-CZ 3.74Å; K16-F27 HydrophobicContact CG-CD2 4.07Å; K16-F27 HydrophobicContact CG-CE2 3.46Å; K16-F27 VanDerWaalsContact CG-CE2 3.46Å; K16-F27 HydrophobicContact CG-CZ 3.84Å; K16-F27 PolarHBondContact N-O 2.88Å; K25-F27 VanDerWaalsContact C-N 3.28Å; K25-F27 HydrophobicContact CB-CD1 3.78Å; K25-F27 HydrophobicContact CB-CE1 3.53Å; K25-F27 HydrophobicContact CB-CZ 4.49Å; K25-F27 HydrophobicContact CD-CE1 4.21Å; K25-F27 HydrophobicContact CG-CE1 4.48Å; K25-F27 WeakPolarHBondContact O-CD1 3.37Å; K25-F27 PolarHBondContact O-N 3.48Å; F27-F29 HydrophobicContact CD2-CE2 4.11Å; F27-F29 HydrophobicContact CD2-CZ 4.21Å; F27-F29 AromaticContact CE2-CE2 3.69Å; F27-F29 HydrophobicContact CE2-CE2 3.69Å; F27-F29 AromaticContact CE2-CZ 3.81Å; F27-F29 HydrophobicContact CE2-CZ 3.81Å; F27-K172 HydrophobicContact CD2-CD 4.26Å; F27-K172 VanDerWaalsContact CD2-CE 3.42Å; F27-K172 HydrophobicContact CD2-CG 4.13Å; F27-V173 CarbonylContact C-O 3.5Å; F27-V173 WeakPolarHBondContact CA-O 3.23Å; F27-V173 VanDerWaalsContact CB-O 3.27Å; F27-V173 WeakPolarHBondContact CB-O 3.38Å
28G87.3Confident81.3Confident4 Ų473.2 Ų73.24%0.04137%0.372CS..EExtended strand (participates in β ladder)trans-141.9-178.4172.100000111.9Q14 K172 V173Q14-G28 CarbonylContact O-C 3.54Å; Q14-G28 WeakPolarHBondContact O-CA 3.44Å; G28-K172 CarbonylContact O-C 3.37Å; G28-K172 WeakPolarHBondContact O-CA 3.46Å; G28-V173 PolarHBondContact N-O 3.15Å; G28-V173 PolarHBondContact O-N 3.45Å
29F88.2Confident81.2Confident42 Ų4274 Ų7418%0.18438%0.379CS..EExtended strand (participates in β ladder)trans-121.6141.6172.7-59.8-84.2000109.8V13 Q14 K16 F27 P58 L171 K172V13-F29 CarbonylContact C-O 3.45Å; V13-F29 VanDerWaalsContact CA-O 3.28Å; V13-F29 WeakPolarHBondContact CA-O 3.17Å; Q14-F29 PolarHBondContact N-O 3.42Å; Q14-F29 PolarHBondContact O-N 2.76Å; K16-F29 HydrophobicContact CD-CE2 4.19Å; K16-F29 VanDerWaalsContact CE-CE2 3.43Å; K16-F29 HydrophobicContact CG-CD2 4.09Å; K16-F29 HydrophobicContact CG-CE2 3.65Å; F27-F29 HydrophobicContact CD2-CE2 4.11Å; F27-F29 HydrophobicContact CD2-CZ 4.21Å; F27-F29 AromaticContact CE2-CE2 3.69Å; F27-F29 HydrophobicContact CE2-CE2 3.69Å; F27-F29 AromaticContact CE2-CZ 3.81Å; F27-F29 HydrophobicContact CE2-CZ 3.81Å; F29-P58 HydrophobicContact CD1-CB 3.97Å; F29-P58 HydrophobicContact CE1-CB 3.65Å; F29-L171 CarbonylContact C-O 3.53Å; F29-L171 WeakPolarHBondContact CA-O 3.42Å; F29-K172 HydrophobicContact CD1-CB 3.99Å; F29-K172 HydrophobicContact CD1-CG 4.36Å; F29-K172 HydrophobicContact CE1-CB 3.79Å; F29-K172 HydrophobicContact CE1-CD 4.31Å; F29-K172 HydrophobicContact CE1-CG 3.92Å; F29-K172 HydrophobicContact CZ-CG 4.42Å
30V87.8Confident81.5Confident2 Ų271.5 Ų71.51%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-125.7137.1170.661.80000108.4F4 V10 M12 V13 F32 S170 L171 V173F4-V30 HydrophobicContact CB-CG2 4.09Å; F4-V30 HydrophobicContact CD2-CB 4.44Å; F4-V30 HydrophobicContact CD2-CG2 4.27Å; F4-V30 HydrophobicContact CG-CG2 4.13Å; V10-V30 HydrophobicContact CG1-CG2 3.71Å; V10-V30 HydrophobicContact CG2-CG2 4.31Å; M12-V30 CarbonylContact O-C 3.58Å; M12-V30 VanDerWaalsContact O-CA 3.32Å; M12-V30 WeakPolarHBondContact O-CA 3.46Å; V13-V30 HydrophobicContact CG2-CG2 4.13Å; V30-F32 HydrophobicContact CG1-CE2 3.85Å; V30-F32 HydrophobicContact CG1-CZ 4.45Å; V30-F32 HydrophobicContact CG2-CD2 4.44Å; V30-F32 HydrophobicContact CG2-CE1 4.5Å; V30-F32 HydrophobicContact CG2-CE2 3.9Å; V30-F32 HydrophobicContact CG2-CZ 3.94Å; V30-S170 CarbonylContact O-C 3.45Å; V30-S170 WeakPolarHBondContact O-CA 3.31Å; V30-L171 HydrophobicContact CG1-CB 3.78Å; V30-L171 HydrophobicContact CG1-CD1 4.46Å; V30-L171 PolarHBondContact N-O 3.29Å; V30-L171 PolarHBondContact O-N 2.76Å; V30-V173 HydrophobicContact CB-CG2 4.36Å; V30-V173 HydrophobicContact CG1-CG2 3.66Å
31R83.4Confident81.9Confident94 Ų9462 Ų6236%0.35532%0.319SS..EExtended strand (participates in β ladder)trans-119.7127.1175.2-171.8179.8178.4-178.3-1.6109.1V10 L11 M12 T169V10-R31 CarbonylContact C-O 3.49Å; L11-R31 HydrophobicContact CB-CB 4.36Å; L11-R31 HydrophobicContact CB-CG 4.3Å; L11-R31 HydrophobicContact CD1-CG 4.31Å; L11-R31 PolarHBondContact N-O 3.04Å; M12-R31 HydrophobicContact CB-CB 3.94Å; M12-R31 PolarHBondContact N-O 2.78Å; M12-R31 PolarHBondContact O-N 2.95Å; R31-T169 WeakPolarHBondContact CA-O 3.13Å; R31-T169 WeakPolarHBondContact CG-OG1 3.27Å; R31-T169 PolarHBondContact NE-OG1 3.32Å
32F84.6Confident81.8Confident0 Ų061.1 Ų61.10%031%0.31CS..EExtended strand (participates in β ladder)trans-98159.3175.3-68.2-79.4000111.2F4 E9 V10 V30 T37 V41 T169 L171F4-F32 HydrophobicContact CB-CE1 4.2Å; F4-F32 HydrophobicContact CB-CZ 3.86Å; F4-F32 AromaticContact CD1-CZ 3.89Å; F4-F32 HydrophobicContact CD1-CZ 3.89Å; F4-F32 HydrophobicContact CG-CZ 4.19Å; F4-F32 WeakPolarHBondContact O-CE1 3.41Å; E9-F32 WeakPolarHBondContact O-CA 3.3Å; V10-F32 HydrophobicContact CG2-CD1 3.92Å; V10-F32 HydrophobicContact CG2-CE1 3.53Å; V10-F32 HydrophobicContact CG2-CZ 4.33Å; V30-F32 HydrophobicContact CG1-CE2 3.85Å; V30-F32 HydrophobicContact CG1-CZ 4.45Å; V30-F32 HydrophobicContact CG2-CD2 4.44Å; V30-F32 HydrophobicContact CG2-CE1 4.5Å; V30-F32 HydrophobicContact CG2-CE2 3.9Å; V30-F32 HydrophobicContact CG2-CZ 3.94Å; F32-T37 HydrophobicContact CB-CG2 4.33Å; F32-T37 HydrophobicContact CD1-CG2 3.36Å; F32-T37 HydrophobicContact CD2-CG2 4.25Å; F32-T37 HydrophobicContact CE1-CG2 3.54Å; F32-T37 HydrophobicContact CE2-CG2 4.41Å; F32-T37 HydrophobicContact CG-CG2 3.72Å; F32-T37 HydrophobicContact CZ-CG2 4.08Å; F32-V41 HydrophobicContact CE2-CB 4.4Å; F32-V41 HydrophobicContact CE2-CG1 4.33Å; F32-V41 HydrophobicContact CE2-CG2 4.1Å; F32-V41 HydrophobicContact CZ-CG2 3.89Å; F32-T169 PolarHBondContact N-O 2.85Å; F32-T169 VanDerWaalsContact N-O 3.13Å; F32-T169 WeakPolarHBondContact O-CB 3.34Å; F32-T169 PolarHBondContact O-OG1 2.96Å; F32-L171 HydrophobicContact CD2-CD1 4.48Å; F32-L171 HydrophobicContact CE2-CD1 4.11Å
33T81.4Confident81.9Confident48 Ų4863.4 Ų63.429%0.29432%0.318SS..SBendtrans-68.3-51.4167.164.50000109.9E9 L11E9-T33 HydrophobicContact CB-CG2 3.57Å; E9-T33 HydrophobicContact CG-CG2 3.57Å; E9-T33 PolarHBondContact O-N 3.4Å; L11-T33 HydrophobicContact CD1-CG2 4.25Å; L11-T33 HydrophobicContact CD2-CG2 3.65Å; L11-T33 HydrophobicContact CG-CG2 3.67Å
34E78.3Confident81.9Confident112 Ų11261.2 Ų61.252%0.52331%0.308SS..  trans-91.2138.3-173.2-64.4-62.1161.300112.5
35Y74.4Confident82Confident108 Ų10864.2 Ų64.242%0.42431%0.309SS..Hα-helixtrans-70.6-35.9173177.3-102.8000112.3T37 Q38 V39Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.46Å; Y35-Q38 VanDerWaalsContact CD2-OE1 3.23Å; Y35-Q38 WeakPolarHBondContact O-CA 3.42Å; Y35-Q38 WeakPolarHBondContact O-CB 3.3Å; Y35-Q38 PolarHBondContact O-N 2.81Å; Y35-V39 HydrophobicContact CD1-CG2 4.17Å; Y35-V39 HydrophobicContact CE1-CG2 3.62Å; Y35-V39 HydrophobicContact CE2-CG2 4.33Å; Y35-V39 PolarHBondContact O-N 3.01Å; Y35-V39 VanDerWaalsContact O-N 3.14Å
36E76.5Confident82.4Confident157 Ų15758.8 Ų58.873%0.73429%0.286SS*.Hα-helixtrans-62.1-38.8179.4-62.5-175170.400111.9Q38 V39 K40E36-Q38 VanDerWaalsContact C-N 3.27Å; E36-Q38 PolarHBondContact O-N 3.25Å; E36-V39 PolarHBondContact O-N 3.26Å; E36-K40 PolarHBondContact O-N 2.75Å
37T81.3Confident82.7Confident16 Ų1661.4 Ų61.410%0.09829%0.293CS..Hα-helixtrans-58.8-40.9173.5-59.20000111.4F7 F32 Y35 K40 V41F7-T37 HydrophobicContact CB-CG2 3.88Å; F7-T37 WeakPolarHBondContact O-CG2 3.38Å; F32-T37 HydrophobicContact CB-CG2 4.33Å; F32-T37 HydrophobicContact CD1-CG2 3.36Å; F32-T37 HydrophobicContact CD2-CG2 4.25Å; F32-T37 HydrophobicContact CE1-CG2 3.54Å; F32-T37 HydrophobicContact CE2-CG2 4.41Å; F32-T37 HydrophobicContact CG-CG2 3.72Å; F32-T37 HydrophobicContact CZ-CG2 4.08Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.46Å; T37-K40 PolarHBondContact O-N 2.9Å; T37-V41 HydrophobicContact CG2-CG2 4.41Å; T37-V41 WeakPolarHBondContact O-CB 3.34Å; T37-V41 VanDerWaalsContact O-CG2 3.26Å; T37-V41 WeakPolarHBondContact O-CG2 3.35Å; T37-V41 PolarHBondContact O-N 3.09Å
38Q78.3Confident82.7Confident1 Ų160.3 Ų60.31%0.00529%0.289CS..Hα-helixtrans-60.8-47.7177.1-176.1-176.21600111.7Y35 E36 V41 M42 S168 S170 L171Y35-Q38 VanDerWaalsContact CD2-OE1 3.23Å; Y35-Q38 WeakPolarHBondContact O-CA 3.42Å; Y35-Q38 WeakPolarHBondContact O-CB 3.3Å; Y35-Q38 PolarHBondContact O-N 2.81Å; E36-Q38 VanDerWaalsContact C-N 3.27Å; E36-Q38 PolarHBondContact O-N 3.25Å; Q38-V41 PolarHBondContact O-N 3.45Å; Q38-M42 HydrophobicContact CG-SD 4.3Å; Q38-M42 WeakPolarHBondContact O-CB 3.44Å; Q38-M42 WeakPolarHBondContact O-CG 3.46Å; Q38-M42 PolarHBondContact O-N 3.08Å; Q38-S168 PolarHBondContact NE2-O 3.31Å; Q38-S168 PolarHBondContact OE1-O 2.79Å; Q38-S170 PolarHBondContact NE2-O 2.85Å; Q38-L171 HydrophobicContact CG-CD1 3.89Å; Q38-L171 HydrophobicContact CG-CD2 3.46Å; Q38-L171 VanDerWaalsContact CG-CD2 3.46Å; Q38-L171 HydrophobicContact CG-CG 3.66Å
39V75.3Confident82.6Confident70 Ų7068 Ų6842%0.42433%0.329SS..Hα-helixtrans-62.5-44.4179.4178.40000110.8Y35 E36 V41 M42 S43Y35-V39 HydrophobicContact CD1-CG2 4.17Å; Y35-V39 HydrophobicContact CE1-CG2 3.62Å; Y35-V39 HydrophobicContact CE2-CG2 4.33Å; Y35-V39 PolarHBondContact O-N 3.01Å; Y35-V39 VanDerWaalsContact O-N 3.14Å; E36-V39 PolarHBondContact O-N 3.26Å; V39-V41 PolarHBondContact O-N 3.4Å; V39-M42 PolarHBondContact O-N 3.01Å; V39-S43 PolarHBondContact O-N 3.39Å
40K82.3Confident82.4Confident127 Ų12769.4 Ų69.455%0.55236%0.355SS*.Hα-helixtrans-60-45.1177.5-172.9176.5-177.7178.30112E36 T37 M42 S43E36-K40 PolarHBondContact O-N 2.75Å; T37-K40 PolarHBondContact O-N 2.9Å; K40-M42 VanDerWaalsContact C-N 3.34Å; K40-S43 PolarHBondContact O-N 2.9Å; K40-S43 PolarHBondContact O-OG 3.32Å
41V86.8Confident82.3Confident0 Ų076.7 Ų76.70%038%0.383CS..Hα-helixtrans-67.4-34.4177170.20000111.5F4 F7 F32 T37 Q38 V39 S43 H46 C55 L171F4-V41 HydrophobicContact CD1-CG1 4.09Å; F4-V41 HydrophobicContact CE1-CG1 3.7Å; F7-V41 HydrophobicContact CB-CG2 3.74Å; F7-V41 HydrophobicContact CD1-CG2 3.95Å; F7-V41 HydrophobicContact CD2-CG2 4.19Å; F7-V41 HydrophobicContact CG-CG2 3.68Å; F32-V41 HydrophobicContact CE2-CB 4.4Å; F32-V41 HydrophobicContact CE2-CG1 4.33Å; F32-V41 HydrophobicContact CE2-CG2 4.1Å; F32-V41 HydrophobicContact CZ-CG2 3.89Å; T37-V41 HydrophobicContact CG2-CG2 4.41Å; T37-V41 WeakPolarHBondContact O-CB 3.34Å; T37-V41 VanDerWaalsContact O-CG2 3.26Å; T37-V41 WeakPolarHBondContact O-CG2 3.35Å; T37-V41 PolarHBondContact O-N 3.09Å; Q38-V41 PolarHBondContact O-N 3.45Å; V39-V41 PolarHBondContact O-N 3.4Å; V41-S43 VanDerWaalsContact C-N 3.3Å; V41-S43 PolarHBondContact O-N 3.06Å; V41-H46 WeakPolarHBondContact CG1-NE2 3.39Å; V41-H46 PolarHBondContact O-NE2 3.26Å; V41-C55 HydrophobicContact CG1-CB 3.9Å; V41-L171 HydrophobicContact CB-CD1 4Å; V41-L171 HydrophobicContact CG1-CD1 3.62Å
42M82.4Confident82.4Confident71 Ų7179 Ų7935%0.3539%0.391SS..Hα-helixtrans-71.2-24.7175.7-75.6-17859.500113.9Q38 V39 K40 Q44 L57 L171Q38-M42 HydrophobicContact CG-SD 4.3Å; Q38-M42 WeakPolarHBondContact O-CB 3.44Å; Q38-M42 WeakPolarHBondContact O-CG 3.46Å; Q38-M42 PolarHBondContact O-N 3.08Å; V39-M42 PolarHBondContact O-N 3.01Å; K40-M42 VanDerWaalsContact C-N 3.34Å; M42-Q44 PolarHBondContact O-N 2.74Å; M42-L57 HydrophobicContact CE-CG 3.86Å; M42-L57 HydrophobicContact SD-CD2 3.91Å; M42-L57 HydrophobicContact SD-CG 3.87Å; M42-L171 HydrophobicContact CG-CD1 3.96Å; M42-L171 HydrophobicContact CG-CD2 3.39Å; M42-L171 HydrophobicContact CG-CG 4.33Å; M42-L171 HydrophobicContact SD-CD2 3.34Å; M42-L171 WeakPolarHBondContact SD-CD2 3.34Å
43S81.7Confident82.5Confident93 Ų9379 Ų7965%0.6539%0.392SS*.THydrogen-bonded Turntrans-72.8-10.5-174.272.40000114.7V39 K40 V41V39-S43 PolarHBondContact O-N 3.39Å; K40-S43 PolarHBondContact O-N 2.9Å; K40-S43 PolarHBondContact O-OG 3.32Å; V41-S43 VanDerWaalsContact C-N 3.3Å; V41-S43 PolarHBondContact O-N 3.06Å
44Q80.8Confident82.5Confident91 Ų9179.2 Ų79.243%0.42539%0.391SS..SBendtrans-143.6162.1-175.463.9-179.7-600113.5M42 H46M42-Q44 PolarHBondContact O-N 2.74Å; Q44-H46 PolarHBondContact O-CD2 3.1Å; Q44-H46 VanDerWaalsContact O-CD2 3.28Å; Q44-H46 PolarHBondContact O-NE2 3.42Å
45R82.9Confident82.7Confident129 Ų12974.3 Ų74.349%0.48737%0.369SS..  trans-82.2147169.9-54.7-17076.2-151.70.4109.7W52 D54R45-W52 HydrophobicContact CB-CE3 3.93Å; R45-W52 HydrophobicContact CB-CZ3 4.21Å; R45-D54 WeakPolarHBondContact CG-OD1 3.3Å; R45-D54 IonicContact CZ-OD1 3.27Å; R45-D54 IonicContact CZ-OD2 3.02Å; R45-D54 IonicContact NE-OD1 2.88Å; R45-D54 PolarHBondContact NE-OD1 3.27Å; R45-D54 IonicContact NE-OD2 3.78Å; R45-D54 PolarHBondContact NE-OD2 2.8Å; R45-D54 IonicContact NH2-OD2 2.8Å; R45-D54 PolarHBondContact NH2-OD2 2.93Å
46H89.1Confident82.9Confident0 Ų075.5 Ų75.50%038%0.376CS..EExtended strand (participates in β ladder)trans-117.7137.5-176.9-65.5-87.6000110.8Y3 F7 V41 Q44 I48 W52 C53Y3-H46 HydrophobicContact CE1-CB 3.63Å; Y3-H46 AromaticContact CE1-CG 3.77Å; Y3-H46 AromaticContact CE1-ND1 3.42Å; Y3-H46 WeakPolarHBondContact CE1-ND1 3.39Å; Y3-H46 AromaticContact CZ-ND1 3.65Å; Y3-H46 WeakPolarHBondContact OH-CB 3.42Å; Y3-H46 PolarHBondContact OH-ND1 2.91Å; F7-H46 AromaticContact CE2-CE1 3.92Å; F7-H46 AromaticContact CE2-ND1 3.84Å; F7-H46 AromaticContact CZ-CE1 3.59Å; F7-H46 AromaticContact CZ-ND1 3.67Å; V41-H46 WeakPolarHBondContact CG1-NE2 3.39Å; V41-H46 PolarHBondContact O-NE2 3.26Å; Q44-H46 PolarHBondContact O-CD2 3.1Å; Q44-H46 VanDerWaalsContact O-CD2 3.28Å; Q44-H46 PolarHBondContact O-NE2 3.42Å; H46-I48 HydrophobicContact CB-CD1 4.38Å; H46-I48 HydrophobicContact CB-CG1 4.27Å; H46-W52 CarbonylContact O-C 3.49Å; H46-W52 WeakPolarHBondContact O-CA 3.4Å; H46-C53 PolarHBondContact N-O 3.38Å; H46-C53 PolarHBondContact O-N 3.12Å
47M87.9Confident82.8Confident78 Ų7870.8 Ų70.838%0.38436%0.356SS..EExtended strand (participates in β ladder)trans-94.1113.5172.1-177.864.476.800108.9R51 W52M47-R51 WeakPolarHBondContact CA-O 3.32Å; M47-R51 VanDerWaalsContact SD-C 3.51Å; M47-R51 PolarHBondContact SD-N 3.02Å; M47-W52 HydrophobicContact CB-CE3 4.33Å; M47-W52 HydrophobicContact CB-CZ3 4.21Å; M47-W52 HydrophobicContact CE-CD2 3.6Å; M47-W52 HydrophobicContact CE-CE3 4.23Å; M47-W52 HydrophobicContact CE-CG 3.96Å; M47-W52 HydrophobicContact CE-CH2 4.19Å; M47-W52 HydrophobicContact CE-CZ2 3.56Å; M47-W52 HydrophobicContact CE-CZ3 4.49Å; M47-W52 VanDerWaalsContact CE-NE1 3.34Å; M47-W52 HydrophobicContact SD-CD2 4.47Å
48I86.9Confident82.2Confident23 Ų2370.8 Ų70.812%0.11836%0.356CS..EExtended strand (participates in β ladder)trans-127.2122.8-179.4-51.9177.9000107.8Y3 F4 H46 G50 R51 C53 V173Y3-I48 HydrophobicContact CD1-CD1 3.81Å; Y3-I48 HydrophobicContact CD1-CG1 3.76Å; Y3-I48 HydrophobicContact CE1-CD1 4.07Å; Y3-I48 HydrophobicContact CE1-CG1 3.88Å; Y3-I48 HydrophobicContact CG-CG1 4.16Å; F4-I48 HydrophobicContact CE2-CD1 3.56Å; F4-I48 HydrophobicContact CZ-CD1 3.6Å; H46-I48 HydrophobicContact CB-CD1 4.38Å; H46-I48 HydrophobicContact CB-CG1 4.27Å; I48-G50 PolarHBondContact O-N 2.83Å; I48-G50 VanDerWaalsContact O-N 3.15Å; I48-R51 PolarHBondContact N-O 2.77Å; I48-R51 PolarHBondContact O-N 2.78Å; I48-C53 HydrophobicContact CD1-CB 4.17Å; I48-C53 HydrophobicContact CG1-CB 4.5Å; I48-V173 HydrophobicContact CD1-CG1 4.43Å
49D84.4Confident81.3Confident165 Ų16577.5 Ų77.588%0.88239%0.392SS*.THydrogen-bonded Turntrans50.638.9179.9-56.9-25000113.8R51D49-R51 VanDerWaalsContact C-N 3.3Å; D49-R51 PolarHBondContact O-N 3.32Å
50G84.8Confident80.3Confident72 Ų7278.1 Ų78.174%0.74240%0.4SS*.THydrogen-bonded Turntrans77.911-179.900000114.7I48I48-G50 PolarHBondContact O-N 2.83Å; I48-G50 VanDerWaalsContact O-N 3.15Å
51R84.9Confident78.5Confident156 Ų15680.9 Ų80.959%0.58941%0.412SS*.EExtended strand (participates in β ladder)trans-122.3137.5178.9-165.9162.7164.3132.8-12.7112.1M47 I48 D49 C53 L175M47-R51 WeakPolarHBondContact CA-O 3.32Å; M47-R51 VanDerWaalsContact SD-C 3.51Å; M47-R51 PolarHBondContact SD-N 3.02Å; I48-R51 PolarHBondContact N-O 2.77Å; I48-R51 PolarHBondContact O-N 2.78Å; D49-R51 VanDerWaalsContact C-N 3.3Å; D49-R51 PolarHBondContact O-N 3.32Å; R51-C53 PolarHBondContact O-N 3.06Å; R51-L175 WeakPolarHBondContact CD-OXT 3.45Å; R51-L175 VanDerWaalsContact CG-OXT 3.26Å; R51-L175 WeakPolarHBondContact CG-OXT 3.18Å; R51-L175 PolarHBondContact NE-O 2.85Å; R51-L175 PolarHBondContact NE-OXT 2.86Å; R51-L175 PolarHBondContact NH2-O 3.31Å
52W86Confident76.4Confident141 Ų14184.7 Ų84.753%0.53443%0.429SS..EExtended strand (participates in β ladder)trans-76.1121.6173.9-74.2111.3000110.7R45 H46 M47R45-W52 HydrophobicContact CB-CE3 3.93Å; R45-W52 HydrophobicContact CB-CZ3 4.21Å; H46-W52 CarbonylContact O-C 3.49Å; H46-W52 WeakPolarHBondContact O-CA 3.4Å; M47-W52 HydrophobicContact CB-CE3 4.33Å; M47-W52 HydrophobicContact CB-CZ3 4.21Å; M47-W52 HydrophobicContact CE-CD2 3.6Å; M47-W52 HydrophobicContact CE-CE3 4.23Å; M47-W52 HydrophobicContact CE-CG 3.96Å; M47-W52 HydrophobicContact CE-CH2 4.19Å; M47-W52 HydrophobicContact CE-CZ2 3.56Å; M47-W52 HydrophobicContact CE-CZ3 4.49Å; M47-W52 VanDerWaalsContact CE-NE1 3.34Å; M47-W52 HydrophobicContact SD-CD2 4.47Å
53C86.1Confident74.3Confident1 Ų185.5 Ų85.51%0.00744%0.442CS..EExtended strand (participates in β ladder)trans-116.4140.6-177.9-56.40000111.2H46 I48 R51 V173 V174H46-C53 PolarHBondContact N-O 3.38Å; H46-C53 PolarHBondContact O-N 3.12Å; I48-C53 HydrophobicContact CD1-CB 4.17Å; I48-C53 HydrophobicContact CG1-CB 4.5Å; R51-C53 PolarHBondContact O-N 3.06Å; C53-V173 HydrophobicContact CB-CG1 3.96Å; C53-V174 WeakPolarHBondContact CA-O 3.45Å; C53-V174 VanDerWaalsContact CB-O 3.22Å; C53-V174 WeakPolarHBondContact CB-O 3.32Å
54D80.8Confident72.4Confident53 Ų5390.7 Ų90.728%0.28346%0.456SS..EExtended strand (participates in β ladder)trans-109.4131.4177.9-68.3-77.6000109.8R45 V174R45-D54 WeakPolarHBondContact CG-OD1 3.3Å; R45-D54 IonicContact CZ-OD1 3.27Å; R45-D54 IonicContact CZ-OD2 3.02Å; R45-D54 IonicContact NE-OD1 2.88Å; R45-D54 PolarHBondContact NE-OD1 3.27Å; R45-D54 IonicContact NE-OD2 3.78Å; R45-D54 PolarHBondContact NE-OD2 2.8Å; R45-D54 IonicContact NH2-OD2 2.8Å; R45-D54 PolarHBondContact NH2-OD2 2.93Å; D54-V174 PolarHBondContact N-O 2.81Å; D54-V174 PolarHBondContact O-N 2.83Å
55C82.4Confident70.3Confident8 Ų893.9 Ų93.95%0.05448%0.476CS..EExtended strand (participates in β ladder)trans-103.8123.8179.4-64.80000110.4V41 L171V41-C55 HydrophobicContact CG1-CB 3.9Å; C55-L171 HydrophobicContact CB-CD1 4.23Å
56K78.4Confident68.4Low133 Ų13391.8 Ų91.858%0.57847%0.472SS*.EExtended strand (participates in β ladder)trans-134.6159.3-178.9-60.4-173.4-179.1-175.90110.8L171 K172K56-L171 CarbonylContact O-C 3.54Å; K56-L171 WeakPolarHBondContact O-CA 3.08Å; K56-K172 PolarHBondContact N-O 2.87Å; K56-K172 PolarHBondContact O-N 3.29Å
57L76Confident66.2Low58 Ų5896.5 Ų96.530%0.30450%0.502SS..  trans-58.8133.6168.8-70.4175.6000109.7M42 N59 L171M42-L57 HydrophobicContact CE-CG 3.86Å; M42-L57 HydrophobicContact SD-CD2 3.91Å; M42-L57 HydrophobicContact SD-CG 3.87Å; L57-N59 PolarHBondContact O-N 2.84Å; L57-L171 HydrophobicContact CD2-CD2 4.17Å
58P67.2Low64.4Low17 Ų1797 Ų9711%0.1151%0.506CS..  trans-64.8135.1175.328.5-33.5000108.3F29 S60 S170 K172F29-P58 HydrophobicContact CD1-CB 3.97Å; F29-P58 HydrophobicContact CE1-CB 3.65Å; P58-S60 PolarHBondContact O-N 2.96Å; P58-S170 WeakPolarHBondContact CD-O 3.28Å; P58-K172 HydrophobicContact CB-CB 4.24Å
59N60.3Low62.9Low141 Ų141100.4 Ų100.475%0.75452%0.517SS*.  trans-62.3108.8161.4-67.92.2000105.7L57 K61L57-N59 PolarHBondContact O-N 2.84Å; N59-K61 PolarHBondContact O-N 2.84Å
60S54.4Low62.3Low84 Ų8493.8 Ų93.859%0.58748%0.484SS*.  trans-50116175.5-67.40000107.5P58 Q62P58-S60 PolarHBondContact O-N 2.96Å; S60-Q62 PolarHBondContact O-N 2.84Å
61K44.3Very low62.3Low185 Ų18594.1 Ų94.180%0.80446%0.463SS*.  trans-67.889166.7-73.8-172.5175-168.60105.7N59 S63N59-K61 PolarHBondContact O-N 2.84Å; K61-S63 PolarHBondContact O-N 2.82Å
62Q42.3Very low62.3Low80 Ų8090 Ų9037%0.37445%0.449SS..  trans-66.8127.3173.2-80.4171-9.700108.1S60 R69S60-Q62 PolarHBondContact O-N 2.84Å; Q62-R69 PolarHBondContact NE2-O 2.97Å
63S39.2Very low62.6Low87 Ų8783.4 Ų83.461%0.60842%0.424SS*.  trans-47136.4164.5-40.40000108.7K61 D65 E66K61-S63 PolarHBondContact O-N 2.82Å; S63-D65 PolarHBondContact O-N 2.91Å; S63-E66 PolarHBondContact O-N 3.3Å
64Q41.8Very low62.9Low203 Ų20386 Ų8695%0.94944%0.436SS*.THydrogen-bonded Turntrans-63.7-5.4-175.9-71.2-164.3-39.400114.8
65D37.5Very low63.5Low158 Ų15883.4 Ų83.485%0.84542%0.422SS*.THydrogen-bonded Turntrans-107.7-3.6-177.9-85.8-64.6000114.9S63S63-D65 PolarHBondContact O-N 2.91Å
66E42.8Very low63.9Low85 Ų8583.3 Ų83.340%0.39742%0.422SS..SBendtrans-90.3126.2171.3-82.9-74.1145.900108.8S63 L68 R69S63-E66 PolarHBondContact O-N 3.3Å; E66-L68 PolarHBondContact O-N 3.27Å; E66-R69 IonicContact OE1-NH2 3.99Å; E66-R69 IonicContact OE2-CZ 3.74Å; E66-R69 VanDerWaalsContact OE2-CZ 3.27Å; E66-R69 IonicContact OE2-NE 3.61Å; E66-R69 PolarHBondContact OE2-NE 2.69Å; E66-R69 IonicContact OE2-NH2 2.75Å; E66-R69 PolarHBondContact OE2-NH2 3.3Å
67P42.2Very low64.6Low99 Ų9983.7 Ų83.764%0.64342%0.42SS*.  trans-52.5122.9172.320.8-29.1000107R69P67-R69 WeakPolarHBondContact O-CG 3.47Å; P67-R69 PolarHBondContact O-N 3.27Å
68L49.2Very low65.3Low87 Ų8781.3 Ų81.346%0.45541%0.408SS..  trans-34.998.9-173.3-108.474000110E66 S70 P142E66-L68 PolarHBondContact O-N 3.27Å; L68-S70 PolarHBondContact O-N 3.44Å; L68-P142 HydrophobicContact CD2-CG 4.01Å
69R57.1Low66.4Low95 Ų9582.6 Ų82.636%0.35842%0.415SS..  trans-75.968.3172.3-49.7-153.4-174.9-174.92.2106.6Q62 E66 P67 R71 D117 Q121Q62-R69 PolarHBondContact NE2-O 2.97Å; E66-R69 IonicContact OE1-NH2 3.99Å; E66-R69 IonicContact OE2-CZ 3.74Å; E66-R69 VanDerWaalsContact OE2-CZ 3.27Å; E66-R69 IonicContact OE2-NE 3.61Å; E66-R69 PolarHBondContact OE2-NE 2.69Å; E66-R69 IonicContact OE2-NH2 2.75Å; E66-R69 PolarHBondContact OE2-NH2 3.3Å; P67-R69 WeakPolarHBondContact O-CG 3.47Å; P67-R69 PolarHBondContact O-N 3.27Å; R69-R71 PolarHBondContact O-N 3.05Å; R69-D117 HydrophobicContact CB-CB 4.2Å; R69-Q121 VanDerWaalsContact CD-NE2 3.31Å
70S70.9Confident67.7Low27 Ų2782.2 Ų82.219%0.18941%0.409CS..  trans-77.6121.8-177176.70000107L68 K72 A120L68-S70 PolarHBondContact O-N 3.44Å; S70-K72 WeakPolarHBondContact CB-O 3.44Å; S70-K72 PolarHBondContact O-N 3.37Å; S70-K72 WeakPolarHBondContact OG-CA 3.21Å; S70-K72 WeakPolarHBondContact OG-CB 3.32Å; S70-K72 PolarHBondContact OG-N 3.04Å; S70-K72 PolarHBondContact OG-O 2.99Å; S70-A120 WeakPolarHBondContact O-CB 3.39Å
71R83.8Confident69.3Low78 Ų7884 Ų8429%0.29441%0.412SS..SBendtrans-62.9-13.6165.2-69.7-176.4-67.5164.82.2112.6R69 T113 F114 A115 D117R69-R71 PolarHBondContact O-N 3.05Å; R71-T113 HydrophobicContact CB-CG2 4.22Å; R71-T113 CarbonylContact O-C 3.49Å; R71-T113 WeakPolarHBondContact O-CA 3.46Å; R71-F114 WeakPolarHBondContact CB-O 3.48Å; R71-F114 PolarHBondContact O-N 3.01Å; R71-A115 VanDerWaalsContact CD-O 3.25Å; R71-A115 WeakPolarHBondContact CD-O 3.44Å; R71-D117 HydrophobicContact CG-CB 3.76Å
72K86.8Confident71.5Confident70 Ų7075.4 Ų75.430%0.30438%0.375SS..EExtended strand (participates in β ladder)trans-98.4126.7179.4-173.5177.1-72.7-153.10110.4S70 F111 V112 T113 A140S70-K72 WeakPolarHBondContact CB-O 3.44Å; S70-K72 PolarHBondContact O-N 3.37Å; S70-K72 WeakPolarHBondContact OG-CA 3.21Å; S70-K72 WeakPolarHBondContact OG-CB 3.32Å; S70-K72 PolarHBondContact OG-N 3.04Å; S70-K72 PolarHBondContact OG-O 2.99Å; K72-F111 HydrophobicContact CD-CB 4.04Å; K72-F111 HydrophobicContact CD-CD1 4.03Å; K72-F111 HydrophobicContact CD-CG 4.25Å; K72-F111 HydrophobicContact CG-CB 4.15Å; K72-F111 HydrophobicContact CG-CD1 4.26Å; K72-V112 CarbonylContact C-O 3.53Å; K72-V112 VanDerWaalsContact CA-O 3.27Å; K72-V112 WeakPolarHBondContact CA-O 3.44Å; K72-T113 HydrophobicContact CB-CG2 4.48Å; K72-T113 WeakPolarHBondContact CE-OG1 3.39Å; K72-A140 HydrophobicContact CB-CB 3.97Å; K72-A140 HydrophobicContact CD-CB 3.94Å; K72-A140 HydrophobicContact CG-CB 3.56Å; K72-A140 WeakPolarHBondContact O-CB 3.48Å; K72-A140 PolarHBondContact O-N 3.43Å
73V90.4Very high73.9Confident2 Ų274.6 Ų74.61%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-106.3148.4171-60.20000110.5V75 F111 V112 F114 A120 I137V73-V75 HydrophobicContact CG2-CG2 4.31Å; V73-F111 WeakPolarHBondContact O-CA 3.43Å; V73-V112 HydrophobicContact CG2-CB 3.85Å; V73-V112 PolarHBondContact N-O 3.28Å; V73-V112 PolarHBondContact O-N 3.04Å; V73-F114 HydrophobicContact CG1-CE2 4.47Å; V73-F114 HydrophobicContact CG2-CE2 3.94Å; V73-A120 HydrophobicContact CG1-CB 3.66Å; V73-A120 WeakPolarHBondContact CG1-O 3.4Å; V73-I137 HydrophobicContact CB-CG2 3.78Å; V73-I137 HydrophobicContact CG1-CG2 4.09Å; V73-I137 HydrophobicContact CG2-CG2 4.13Å
74F92.4Very high76.3Confident55 Ų5574.2 Ų74.224%0.24136%0.364CS..EExtended strand (participates in β ladder)trans-89.4132.3166.6171-89.2000108.4F109 F111 I137 S138F74-F109 HydrophobicContact CD2-CB 4.27Å; F74-F109 AromaticContact CD2-CD2 3.96Å; F74-F109 HydrophobicContact CD2-CD2 3.96Å; F74-F109 HydrophobicContact CD2-CG 4.31Å; F74-F109 HydrophobicContact CE1-CB 4.35Å; F74-F109 HydrophobicContact CE2-CB 3.38Å; F74-F109 HydrophobicContact CE2-CD1 4.06Å; F74-F109 AromaticContact CE2-CD2 3.42Å; F74-F109 HydrophobicContact CE2-CD2 3.42Å; F74-F109 VanDerWaalsContact CE2-CD2 3.42Å; F74-F109 HydrophobicContact CE2-CE2 4.13Å; F74-F109 AromaticContact CE2-CG 3.38Å; F74-F109 HydrophobicContact CE2-CG 3.38Å; F74-F109 HydrophobicContact CZ-CB 3.43Å; F74-F109 VanDerWaalsContact CZ-CB 3.43Å; F74-F109 HydrophobicContact CZ-CD1 4.39Å; F74-F109 HydrophobicContact CZ-CD2 4.34Å; F74-F109 AromaticContact CZ-CG 3.86Å; F74-F109 HydrophobicContact CZ-CG 3.86Å; F74-F111 HydrophobicContact CB-CD1 4.39Å; F74-F111 HydrophobicContact CB-CE1 4.31Å; F74-F111 HydrophobicContact CD2-CD1 4.47Å; F74-F111 AromaticContact CD2-CE1 3.9Å; F74-F111 HydrophobicContact CD2-CE1 3.9Å; F74-F111 HydrophobicContact CD2-CZ 4.26Å; F74-I137 WeakPolarHBondContact O-CA 3.34Å; F74-S138 VanDerWaalsContact CD1-OG 3.27Å; F74-S138 WeakPolarHBondContact CD1-OG 3.43Å; F74-S138 PolarHBondContact N-O 3.34Å; F74-S138 PolarHBondContact O-N 3.01Å
75V93.9Very high78.5Confident0 Ų070.1 Ų70.10%035%0.349CS..EExtended strand (participates in β ladder)trans-112.9101.6177-171.50000107.3V73 C78 F91 F109 A110 V112 V135 I137V73-V75 HydrophobicContact CG2-CG2 4.31Å; V75-C78 PolarHBondContact O-SG 3.18Å; V75-F91 HydrophobicContact CG1-CE2 4.34Å; V75-F91 HydrophobicContact CG1-CZ 4.2Å; V75-F91 HydrophobicContact CG2-CE2 3.92Å; V75-F91 HydrophobicContact CG2-CZ 3.84Å; V75-F109 CarbonylContact O-C 3.56Å; V75-F109 WeakPolarHBondContact O-CA 3.48Å; V75-F109 WeakPolarHBondContact O-CB 3.13Å; V75-A110 HydrophobicContact CB-CB 4.34Å; V75-A110 PolarHBondContact N-O 3.08Å; V75-A110 PolarHBondContact O-N 2.96Å; V75-V112 HydrophobicContact CG2-CB 4.43Å; V75-V112 HydrophobicContact CG2-CG2 3.78Å; V75-V135 HydrophobicContact CG1-CB 3.93Å; V75-V135 HydrophobicContact CG1-CG1 4.39Å; V75-V135 HydrophobicContact CG1-CG2 4Å; V75-I137 HydrophobicContact CB-CD1 4.25Å; V75-I137 HydrophobicContact CG1-CD1 3.86Å; V75-I137 HydrophobicContact CG2-CD1 3.97Å
76G92.3Very high81.1Confident5 Ų565.4 Ų65.45%0.05232%0.321CS..EExtended strand (participates in β ladder)trans-90.4166-179.900000113.1C78 V135 H136G76-C78 PolarHBondContact O-N 3.45Å; G76-V135 VanDerWaalsContact O-CA 3.31Å; G76-V135 WeakPolarHBondContact O-CA 3.39Å; G76-V135 WeakPolarHBondContact O-CB 3.49Å; G76-H136 PolarHBondContact N-O 3.24Å; G76-H136 PolarHBondContact O-N 3.37Å; G76-H136 VanDerWaalsContact O-N 3.08Å
77R92.6Very high83.5Confident142 Ų14261.4 Ų61.454%0.53630%0.303SS..SBendtrans59.929.3-179.7-47.1-179.1-167.8137.26.3113.1A108 D127R77-A108 PolarHBondContact N-O 3.42Å; R77-D127 IonicContact CZ-OD1 3.35Å; R77-D127 IonicContact NH1-OD1 3.01Å; R77-D127 PolarHBondContact NH1-OD1 2.82Å
78C90.8Very high85.9Confident7 Ų760.5 Ų60.55%0.04729%0.287CS..  trans-67.8150.9171.5-63.40000110V75 G76 M82 F106 A108V75-C78 PolarHBondContact O-SG 3.18Å; G76-C78 PolarHBondContact O-N 3.45Å; C78-M82 HydrophobicContact CB-SD 4.09Å; C78-F106 HydrophobicContact CB-CZ 4.36Å; C78-F106 WeakPolarHBondContact O-CZ 3.34Å; C78-A108 PolarHBondContact N-O 2.71Å; C78-A108 WeakPolarHBondContact O-CA 3.48Å; C78-A108 WeakPolarHBondContact O-CB 3.17Å
79T90.6Very high88Confident44 Ų4463.7 Ų63.727%0.2730%0.299SS..  trans-98.5161167.556.30000111D81 M82 F106 I133T79-D81 PolarHBondContact O-N 3.14Å; T79-M82 WeakPolarHBondContact O-CB 3.19Å; T79-M82 PolarHBondContact O-N 2.92Å; T79-M82 VanDerWaalsContact O-N 3.15Å; T79-F106 VanDerWaalsContact O-CZ 3.3Å; T79-F106 WeakPolarHBondContact O-CZ 3.18Å; T79-I133 HydrophobicContact CG2-CD1 3.55Å; T79-I133 HydrophobicContact CG2-CG1 4.35Å; T79-I133 HydrophobicContact CG2-CG2 4.27Å; T79-I133 WeakPolarHBondContact OG1-CD1 3.14Å
80E87.6Confident89.7Confident133 Ų13361.3 Ų61.362%0.62129%0.292SS*.THydrogen-bonded Turntrans-66.3-23.5-177.4-172164-14900112.5M82 F106E80-M82 VanDerWaalsContact C-N 3.25Å; E80-M82 PolarHBondContact O-N 3.33Å; E80-F106 HydrophobicContact CB-CD1 3.85Å; E80-F106 HydrophobicContact CB-CE1 3.83Å; E80-F106 HydrophobicContact CB-CG 4.26Å; E80-F106 HydrophobicContact CB-CZ 4.21Å; E80-F106 HydrophobicContact CG-CD1 4.21Å; E80-F106 HydrophobicContact CG-CG 4.2Å; E80-F106 VanDerWaalsContact N-CZ 3.28Å
81D86.9Confident90.8Very high121 Ų12160 Ų6065%0.64728%0.283SS*.THydrogen-bonded Turntrans-73.3-13.3176.2-52.5-57.5000113.6T79 T83T79-D81 PolarHBondContact O-N 3.14Å; D81-T83 PolarHBondContact O-N 3.07Å
82M90.4Very high91.1Very high6 Ų659.2 Ų59.23%0.0329%0.289CS..  trans-78.2115176.9-69.9-178.117800110C78 T79 E80 L87 I102 I130 I133 V135C78-M82 HydrophobicContact CB-SD 4.09Å; T79-M82 WeakPolarHBondContact O-CB 3.19Å; T79-M82 PolarHBondContact O-N 2.92Å; T79-M82 VanDerWaalsContact O-N 3.15Å; E80-M82 VanDerWaalsContact C-N 3.25Å; E80-M82 PolarHBondContact O-N 3.33Å; M82-L87 HydrophobicContact SD-CD2 4.41Å; M82-I102 VanDerWaalsContact O-CD1 3.3Å; M82-I102 WeakPolarHBondContact O-CD1 3.32Å; M82-I130 HydrophobicContact CE-CB 3.74Å; M82-I130 HydrophobicContact CE-CG2 3.88Å; M82-I130 WeakPolarHBondContact CE-O 3.42Å; M82-I130 HydrophobicContact SD-CG2 4.39Å; M82-I133 HydrophobicContact CE-CB 3.74Å; M82-I133 HydrophobicContact CE-CD1 3.74Å; M82-I133 HydrophobicContact CE-CG1 4.35Å; M82-I133 HydrophobicContact CE-CG2 3.97Å; M82-V135 HydrophobicContact CE-CG1 3.94Å; M82-V135 HydrophobicContact SD-CG1 4.11Å
83T92.4Very high91.3Very high63 Ų6361.6 Ų61.639%0.38730%0.301SS..  trans-91165.7-179.868.10000112.2D81 D85 E86 L87D81-T83 PolarHBondContact O-N 3.07Å; T83-D85 VanDerWaalsContact C-N 3.3Å; T83-D85 PolarHBondContact O-N 2.78Å; T83-E86 PolarHBondContact O-N 2.99Å; T83-E86 VanDerWaalsContact OG1-CG 3.3Å; T83-E86 WeakPolarHBondContact OG1-CG 3.25Å; T83-E86 PolarHBondContact OG1-N 3.18Å; T83-L87 WeakPolarHBondContact O-CG 3.4Å; T83-L87 PolarHBondContact O-N 3.47Å; T83-L87 VanDerWaalsContact O-N 3.12Å
84E90.6Very high91.3Very high79 Ų7965.5 Ų65.537%0.36932%0.316SS..Hα-helixtrans-58.3-45174.9-168.7-170.8144.700111.2L87 R88 V100E84-L87 PolarHBondContact O-N 2.98Å; E84-R88 WeakPolarHBondContact O-CB 3.42Å; E84-R88 PolarHBondContact O-N 3.22Å; E84-R88 IonicContact OE1-NH2 3.77Å; E84-R88 PolarHBondContact OE1-NH2 2.79Å; E84-V100 HydrophobicContact CB-CG1 4.38Å; E84-V100 HydrophobicContact CG-CB 3.45Å; E84-V100 VanDerWaalsContact CG-CB 3.45Å; E84-V100 HydrophobicContact CG-CG1 3.59Å
85D88.6Confident91Very high116 Ų11663.8 Ų63.862%0.6231%0.314SS*.Hα-helixtrans-63.3-43.1179.9-60.3-75.8000111.9T83 R88 E89T83-D85 VanDerWaalsContact C-N 3.3Å; T83-D85 PolarHBondContact O-N 2.78Å; D85-R88 PolarHBondContact O-N 3.48Å; D85-E89 WeakPolarHBondContact O-CB 3.35Å; D85-E89 PolarHBondContact O-N 2.74Å
86E92Very high90.3Very high59 Ų5968.3 Ų68.328%0.27634%0.338SS..Hα-helixtrans-62.5-44.6177.3-75.9-178.4171.700112T83 F90 K131T83-E86 PolarHBondContact O-N 2.99Å; T83-E86 VanDerWaalsContact OG1-CG 3.3Å; T83-E86 WeakPolarHBondContact OG1-CG 3.25Å; T83-E86 PolarHBondContact OG1-N 3.18Å; E86-F90 WeakPolarHBondContact O-CB 3.27Å; E86-F90 PolarHBondContact O-N 2.74Å; E86-K131 IonicContact OE1-NZ 2.73Å; E86-K131 PolarHBondContact OE1-NZ 2.83Å; E86-K131 WeakPolarHBondContact OE2-CD 3.48Å; E86-K131 IonicContact OE2-NZ 2.94Å; E86-K131 PolarHBondContact OE2-NZ 3.43Å
87L93.1Very high89.9Confident1 Ų168.7 Ų68.71%0.00534%0.339CS..Hα-helixtrans-63.9-43.6175.9-69.4173.7000110.5M82 T83 E84 F90 F91 V100 I102 A110 I130M82-L87 HydrophobicContact SD-CD2 4.41Å; T83-L87 WeakPolarHBondContact O-CG 3.4Å; T83-L87 PolarHBondContact O-N 3.47Å; T83-L87 VanDerWaalsContact O-N 3.12Å; E84-L87 PolarHBondContact O-N 2.98Å; L87-F90 PolarHBondContact O-N 3.1Å; L87-F91 HydrophobicContact CB-CD2 4.41Å; L87-F91 HydrophobicContact CD2-CE2 4.08Å; L87-F91 WeakPolarHBondContact O-CB 3.41Å; L87-F91 WeakPolarHBondContact O-CD2 3.27Å; L87-F91 PolarHBondContact O-N 2.8Å; L87-V100 HydrophobicContact CB-CG1 3.86Å; L87-V100 HydrophobicContact CD1-CG1 3.93Å; L87-I102 HydrophobicContact CD1-CD1 3.96Å; L87-I102 HydrophobicContact CD1-CG1 4.1Å; L87-A110 HydrophobicContact CD1-CB 3.48Å; L87-A110 VanDerWaalsContact CD1-CB 3.48Å; L87-I130 HydrophobicContact CD2-CD1 3.82Å
88R92.2Very high89.3Confident81 Ų8166.8 Ų66.831%0.30634%0.338SS..Hα-helixtrans-59.8-49178-176.6-177.2-65.3-106.81.9111.3E84 D85 F91 S92 V97 V100E84-R88 WeakPolarHBondContact O-CB 3.42Å; E84-R88 PolarHBondContact O-N 3.22Å; E84-R88 IonicContact OE1-NH2 3.77Å; E84-R88 PolarHBondContact OE1-NH2 2.79Å; D85-R88 PolarHBondContact O-N 3.48Å; R88-F91 PolarHBondContact O-N 2.88Å; R88-S92 WeakPolarHBondContact O-CB 3.3Å; R88-S92 PolarHBondContact O-N 2.8Å; R88-S92 PolarHBondContact O-OG 3.05Å; R88-V97 HydrophobicContact CG-CB 4.21Å; R88-V97 HydrophobicContact CG-CG1 4.09Å; R88-V100 HydrophobicContact CB-CG2 3.93Å
89E92.8Very high88.9Confident154 Ų15469.8 Ų69.872%0.7235%0.353SS*.Hα-helixtrans-61-48.1178.8-174.3175.5-169.500111D85 F91 S92D85-E89 WeakPolarHBondContact O-CB 3.35Å; D85-E89 PolarHBondContact O-N 2.74Å; E89-F91 PolarHBondContact O-N 3.42Å; E89-S92 PolarHBondContact O-N 3.28Å
90F93.9Very high88.9Confident45 Ų4567.8 Ų67.820%0.19734%0.341CS..Hα-helixtrans-60.2-49.5178-178.3-93000112E86 L87 S92 Q93 Y94 L128 I129 I130E86-F90 WeakPolarHBondContact O-CB 3.27Å; E86-F90 PolarHBondContact O-N 2.74Å; L87-F90 PolarHBondContact O-N 3.1Å; F90-S92 VanDerWaalsContact C-N 3.27Å; F90-S92 PolarHBondContact O-N 3.28Å; F90-Q93 WeakPolarHBondContact O-CG 3.5Å; F90-Q93 PolarHBondContact O-N 2.9Å; F90-Q93 PolarHBondContact O-NE2 3.21Å; F90-Y94 HydrophobicContact CD1-CE2 4.5Å; F90-Y94 AromaticContact CE1-CE2 3.98Å; F90-Y94 HydrophobicContact CE1-CE2 3.98Å; F90-L128 HydrophobicContact CE1-CB 4.27Å; F90-L128 HydrophobicContact CE1-CD1 4.02Å; F90-L128 HydrophobicContact CZ-CB 4.35Å; F90-I129 WeakPolarHBondContact CE2-O 3.34Å; F90-I130 HydrophobicContact CD1-CD1 3.63Å; F90-I130 HydrophobicContact CD1-CG1 3.72Å; F90-I130 HydrophobicContact CD2-CG1 4.08Å; F90-I130 HydrophobicContact CE1-CD1 3.84Å; F90-I130 HydrophobicContact CE1-CG1 3.6Å; F90-I130 HydrophobicContact CE2-CG1 3.97Å; F90-I130 HydrophobicContact CG-CD1 4.1Å; F90-I130 HydrophobicContact CG-CG1 3.96Å; F90-I130 HydrophobicContact CZ-CD1 4.47Å; F90-I130 HydrophobicContact CZ-CG1 3.73Å
91F93.5Very high88.9Confident0 Ų065.8 Ų65.80%033%0.33CS..Hα-helixtrans-74-18.3-176.5-77.4-71.2000113.7V75 L87 R88 E89 Q93 Y94 V97 V112 F114 L123 L128 I130 I137V75-F91 HydrophobicContact CG1-CE2 4.34Å; V75-F91 HydrophobicContact CG1-CZ 4.2Å; V75-F91 HydrophobicContact CG2-CE2 3.92Å; V75-F91 HydrophobicContact CG2-CZ 3.84Å; L87-F91 HydrophobicContact CB-CD2 4.41Å; L87-F91 HydrophobicContact CD2-CE2 4.08Å; L87-F91 WeakPolarHBondContact O-CB 3.41Å; L87-F91 WeakPolarHBondContact O-CD2 3.27Å; L87-F91 PolarHBondContact O-N 2.8Å; R88-F91 PolarHBondContact O-N 2.88Å; E89-F91 PolarHBondContact O-N 3.42Å; F91-Q93 PolarHBondContact O-N 3.04Å; F91-Q93 VanDerWaalsContact O-N 3.14Å; F91-Y94 HydrophobicContact CD1-CD2 4.09Å; F91-Y94 HydrophobicContact CD1-CE2 4.34Å; F91-Y94 PolarHBondContact O-N 3.13Å; F91-V97 HydrophobicContact CB-CG2 3.71Å; F91-V112 HydrophobicContact CB-CG1 4.1Å; F91-V112 HydrophobicContact CD2-CB 4.38Å; F91-V112 HydrophobicContact CD2-CG1 4.18Å; F91-V112 HydrophobicContact CD2-CG2 3.65Å; F91-V112 HydrophobicContact CE2-CG2 3.79Å; F91-V112 HydrophobicContact CG-CG1 4.12Å; F91-V112 HydrophobicContact CG-CG2 4.38Å; F91-F114 HydrophobicContact CB-CE1 4.07Å; F91-F114 HydrophobicContact CB-CZ 3.85Å; F91-F114 AromaticContact CD1-CZ 3.75Å; F91-F114 HydrophobicContact CD1-CZ 3.75Å; F91-F114 HydrophobicContact CG-CZ 4.08Å; F91-L123 HydrophobicContact CD1-CD1 4.17Å; F91-L123 HydrophobicContact CE1-CD1 4.33Å; F91-L128 HydrophobicContact CE1-CD1 3.67Å; F91-L128 HydrophobicContact CZ-CD1 4.26Å; F91-I130 HydrophobicContact CE2-CD1 4.08Å; F91-I130 HydrophobicContact CZ-CD1 4.3Å; F91-I137 HydrophobicContact CE1-CD1 3.99Å; F91-I137 HydrophobicContact CZ-CD1 3.66Å
92S89.5Confident89.1Confident60 Ų6061.5 Ų61.542%0.4231%0.307SS..THydrogen-bonded Turntrans-62.3-18.7175.5-64.70000113.2R88 E89 F90 Y94 G95R88-S92 WeakPolarHBondContact O-CB 3.3Å; R88-S92 PolarHBondContact O-N 2.8Å; R88-S92 PolarHBondContact O-OG 3.05Å; E89-S92 PolarHBondContact O-N 3.28Å; F90-S92 VanDerWaalsContact C-N 3.27Å; F90-S92 PolarHBondContact O-N 3.28Å; S92-Y94 PolarHBondContact O-N 3.29Å; S92-G95 WeakPolarHBondContact CA-O 3.35Å; S92-G95 PolarHBondContact O-N 3.47Å
93Q91.8Very high88.8Confident120 Ų12061.7 Ų61.756%0.56131%0.309SS*.THydrogen-bonded Turntrans-66.3-24.7173.581.1-170.6-76.100113.5F90 F91F90-Q93 WeakPolarHBondContact O-CG 3.5Å; F90-Q93 PolarHBondContact O-N 2.9Å; F90-Q93 PolarHBondContact O-NE2 3.21Å; F91-Q93 PolarHBondContact O-N 3.04Å; F91-Q93 VanDerWaalsContact O-N 3.14Å
94Y88.9Confident88.5Confident85 Ų8566.2 Ų66.233%0.33332%0.323SS..THydrogen-bonded Turntrans-92.8-26.6179.1-57.4-78.2000112.1F90 F91 S92 I119 L123 L128F90-Y94 HydrophobicContact CD1-CE2 4.5Å; F90-Y94 AromaticContact CE1-CE2 3.98Å; F90-Y94 HydrophobicContact CE1-CE2 3.98Å; F91-Y94 HydrophobicContact CD1-CD2 4.09Å; F91-Y94 HydrophobicContact CD1-CE2 4.34Å; F91-Y94 PolarHBondContact O-N 3.13Å; S92-Y94 PolarHBondContact O-N 3.29Å; Y94-I119 WeakPolarHBondContact O-CD1 3.5Å; Y94-L123 HydrophobicContact CD1-CD2 3.75Å; Y94-L123 HydrophobicContact CD2-CD1 4.17Å; Y94-L123 HydrophobicContact CD2-CD2 4.31Å; Y94-L123 HydrophobicContact CE1-CD2 3.84Å; Y94-L123 HydrophobicContact CE2-CD2 4.41Å; Y94-L123 HydrophobicContact CG-CD1 4.09Å; Y94-L123 HydrophobicContact CG-CD2 3.99Å; Y94-L128 HydrophobicContact CE2-CD1 4.19Å
95G86Confident88.3Confident19 Ų1966.8 Ų66.820%0.19633%0.334CS..SBendtrans157-170.5166.700000112.6S92 V97S92-G95 WeakPolarHBondContact CA-O 3.35Å; S92-G95 PolarHBondContact O-N 3.47Å; G95-V97 PolarHBondContact O-N 3.07Å; G95-V97 VanDerWaalsContact O-N 3.09Å
96D80.4Confident88.3Confident94 Ų9463.9 Ų63.950%0.50332%0.316SS..  trans-61.7112.6-167-64.2-32000112.9M98 F114 A115 R167D96-M98 HydrophobicContact CB-CE 4.25Å; D96-F114 CarbonylContact O-C 3.53Å; D96-F114 WeakPolarHBondContact O-CA 3.14Å; D96-A115 HydrophobicContact CB-CB 3.78Å; D96-A115 PolarHBondContact O-N 2.75Å; D96-R167 IonicContact OD2-NH2 3.96Å
97V84.3Confident88.2Confident13 Ų1368.8 Ų68.88%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-85.1119.4175-179.40000109.9R88 F91 G95 V100 V112 F114R88-V97 HydrophobicContact CG-CB 4.21Å; R88-V97 HydrophobicContact CG-CG1 4.09Å; F91-V97 HydrophobicContact CB-CG2 3.71Å; G95-V97 PolarHBondContact O-N 3.07Å; G95-V97 VanDerWaalsContact O-N 3.09Å; V97-V100 HydrophobicContact CG1-CG2 3.58Å; V97-V112 HydrophobicContact CG1-CG1 3.91Å; V97-V112 HydrophobicContact CG2-CG1 4.33Å; V97-F114 HydrophobicContact CG2-CD1 4.22Å; V97-F114 HydrophobicContact CG2-CE1 3.91Å
98M79.8Confident88.1Confident102 Ų10270.7 Ų70.750%0.50235%0.348SS..EExtended strand (participates in β ladder)trans-86.6-41.6179.3-64-73.389.800112.5D96 T113 A115D96-M98 HydrophobicContact CB-CE 4.25Å; M98-T113 WeakPolarHBondContact CB-O 3.4Å; M98-T113 PolarHBondContact N-O 2.94Å; M98-A115 HydrophobicContact CE-CB 4.29Å; M98-A115 HydrophobicContact CG-CB 4.05Å; M98-A115 HydrophobicContact SD-CB 4.23Å
99D81.6Confident88.1Confident70 Ų7068.7 Ų68.737%0.37434%0.341SS..EExtended strand (participates in β ladder)trans-153.5141.6-171.5-175.942.2000110.5T113D99-T113 PolarHBondContact N-O 3.35Å; D99-T113 PolarHBondContact O-N 2.99Å
100V90Very high88.2Confident3 Ų361.4 Ų61.42%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-130.2132.6173.31780000107.4E84 L87 R88 V97 F111 V112E84-V100 HydrophobicContact CB-CG1 4.38Å; E84-V100 HydrophobicContact CG-CB 3.45Å; E84-V100 VanDerWaalsContact CG-CB 3.45Å; E84-V100 HydrophobicContact CG-CG1 3.59Å; L87-V100 HydrophobicContact CB-CG1 3.86Å; L87-V100 HydrophobicContact CD1-CG1 3.93Å; R88-V100 HydrophobicContact CB-CG2 3.93Å; V97-V100 HydrophobicContact CG1-CG2 3.58Å; V100-F111 CarbonylContact C-O 3.56Å; V100-F111 WeakPolarHBondContact CA-O 3.26Å; V100-V112 HydrophobicContact CG1-CG2 4.31Å; V100-V112 HydrophobicContact CG2-CG1 4.34Å; V100-V112 HydrophobicContact CG2-CG2 4.21Å
101F89.2Confident88.1Confident90 Ų9060.3 Ų60.340%0.39530%0.303SS..EExtended strand (participates in β ladder)trans-134.6117.4-175.5177.1-115.2000111.2P103 A110 F111F101-P103 HydrophobicContact CD1-CG 4.17Å; F101-P103 HydrophobicContact CE1-CB 4.22Å; F101-P103 HydrophobicContact CE1-CG 3.68Å; F101-P103 HydrophobicContact CZ-CB 4.34Å; F101-P103 HydrophobicContact CZ-CG 4.27Å; F101-A110 CarbonylContact O-C 3.53Å; F101-A110 WeakPolarHBondContact O-CA 3.43Å; F101-F111 HydrophobicContact CB-CB 4.44Å; F101-F111 AromaticContact CD1-CD2 3.75Å; F101-F111 HydrophobicContact CD1-CD2 3.75Å; F101-F111 HydrophobicContact CD1-CE2 4.28Å; F101-F111 HydrophobicContact CE1-CD2 4.47Å; F101-F111 PolarHBondContact N-O 2.75Å; F101-F111 PolarHBondContact O-N 2.78Å
102I89.8Confident88Confident31 Ų3160.3 Ų60.316%0.15930%0.303CS..  trans-107.6108.9174.1-54.8173.6000108M82 L87 F106 A110M82-I102 VanDerWaalsContact O-CD1 3.3Å; M82-I102 WeakPolarHBondContact O-CD1 3.32Å; L87-I102 HydrophobicContact CD1-CD1 3.96Å; L87-I102 HydrophobicContact CD1-CG1 4.1Å; I102-F106 HydrophobicContact CG2-CD2 4.06Å; I102-F106 HydrophobicContact CG2-CE2 4.32Å; I102-A110 HydrophobicContact CG1-CB 3.85Å
103P85.1Confident87.8Confident10 Ų1058.5 Ų58.57%0.06529%0.289CS..  trans-60.6142.7179.2-22.532.8000112.8F101 P105 F109 F111F101-P103 HydrophobicContact CD1-CG 4.17Å; F101-P103 HydrophobicContact CE1-CB 4.22Å; F101-P103 HydrophobicContact CE1-CG 3.68Å; F101-P103 HydrophobicContact CZ-CB 4.34Å; F101-P103 HydrophobicContact CZ-CG 4.27Å; P103-P105 CarbonylContact O-C 3.51Å; P103-P105 VanDerWaalsContact O-O 3.12Å; P103-F109 HydrophobicContact CG-CD2 4.18Å; P103-F109 HydrophobicContact CG-CE2 3.5Å; P103-F109 HydrophobicContact CG-CZ 3.9Å; P103-F111 HydrophobicContact CG-CD2 4.49Å; P103-F111 HydrophobicContact CG-CE2 4.17Å
104K85Confident87.4Confident159 Ų15952.8 Ų52.869%0.69126%0.262SS*.SBendtrans-109.8138.5167.2-62.6-65.3-175.3179.30109.7
105P87.7Confident86.8Confident91 Ų9150.3 Ų50.359%0.59126%0.26SS*.SBendcis-62155.5-5.729.9-36.2000111.3P103 R107P103-P105 CarbonylContact O-C 3.51Å; P103-P105 VanDerWaalsContact O-O 3.12Å; P105-R107 WeakPolarHBondContact O-CG 3.5Å
106F88.3Confident86.4Confident54 Ų5452.1 Ų52.124%0.23727%0.265CS..  trans-60.6137-176.4-179.6-107000111C78 T79 E80 I102 A108C78-F106 HydrophobicContact CB-CZ 4.36Å; C78-F106 WeakPolarHBondContact O-CZ 3.34Å; T79-F106 VanDerWaalsContact O-CZ 3.3Å; T79-F106 WeakPolarHBondContact O-CZ 3.18Å; E80-F106 HydrophobicContact CB-CD1 3.85Å; E80-F106 HydrophobicContact CB-CE1 3.83Å; E80-F106 HydrophobicContact CB-CG 4.26Å; E80-F106 HydrophobicContact CB-CZ 4.21Å; E80-F106 HydrophobicContact CG-CD1 4.21Å; E80-F106 HydrophobicContact CG-CG 4.2Å; E80-F106 VanDerWaalsContact N-CZ 3.28Å; I102-F106 HydrophobicContact CG2-CD2 4.06Å; I102-F106 HydrophobicContact CG2-CE2 4.32Å; F106-A108 HydrophobicContact CE1-CB 4.21Å; F106-A108 VanDerWaalsContact CZ-CA 3.43Å; F106-A108 HydrophobicContact CZ-CB 4.36Å
107R89.1Confident86.3Confident162 Ų16249.9 Ų49.961%0.61125%0.253SS*.  trans-132.722.6-174.5-68.9178.1-171.4-164.7-0.5113.6P105 F109P105-R107 WeakPolarHBondContact O-CG 3.5Å; R107-F109 HydrophobicContact CB-CD1 3.61Å; R107-F109 HydrophobicContact CB-CE1 3.27Å; R107-F109 HydrophobicContact CB-CZ 4.19Å; R107-F109 HydrophobicContact CG-CE1 4.19Å; R107-F109 WeakPolarHBondContact O-CD1 3.22Å; R107-F109 PolarHBondContact O-N 3.49Å
108A91.3Very high86.2Confident42 Ų4253.8 Ų53.835%0.34727%0.27SS..SBendtrans60.328.4-178.200000114.8R77 C78 F106R77-A108 PolarHBondContact N-O 3.42Å; C78-A108 PolarHBondContact N-O 2.71Å; C78-A108 WeakPolarHBondContact O-CA 3.48Å; C78-A108 WeakPolarHBondContact O-CB 3.17Å; F106-A108 HydrophobicContact CE1-CB 4.21Å; F106-A108 VanDerWaalsContact CZ-CA 3.43Å; F106-A108 HydrophobicContact CZ-CB 4.36Å
109F92.9Very high86.5Confident38 Ų3850.2 Ų50.217%0.16725%0.253CS..EExtended strand (participates in β ladder)trans-150.1159.7172.670-95.6000113F74 V75 P103 R107 F111F74-F109 HydrophobicContact CD2-CB 4.27Å; F74-F109 AromaticContact CD2-CD2 3.96Å; F74-F109 HydrophobicContact CD2-CD2 3.96Å; F74-F109 HydrophobicContact CD2-CG 4.31Å; F74-F109 HydrophobicContact CE1-CB 4.35Å; F74-F109 HydrophobicContact CE2-CB 3.38Å; F74-F109 HydrophobicContact CE2-CD1 4.06Å; F74-F109 AromaticContact CE2-CD2 3.42Å; F74-F109 HydrophobicContact CE2-CD2 3.42Å; F74-F109 VanDerWaalsContact CE2-CD2 3.42Å; F74-F109 HydrophobicContact CE2-CE2 4.13Å; F74-F109 AromaticContact CE2-CG 3.38Å; F74-F109 HydrophobicContact CE2-CG 3.38Å; F74-F109 HydrophobicContact CZ-CB 3.43Å; F74-F109 VanDerWaalsContact CZ-CB 3.43Å; F74-F109 HydrophobicContact CZ-CD1 4.39Å; F74-F109 HydrophobicContact CZ-CD2 4.34Å; F74-F109 AromaticContact CZ-CG 3.86Å; F74-F109 HydrophobicContact CZ-CG 3.86Å; V75-F109 CarbonylContact O-C 3.56Å; V75-F109 WeakPolarHBondContact O-CA 3.48Å; V75-F109 WeakPolarHBondContact O-CB 3.13Å; P103-F109 HydrophobicContact CG-CD2 4.18Å; P103-F109 HydrophobicContact CG-CE2 3.5Å; P103-F109 HydrophobicContact CG-CZ 3.9Å; R107-F109 HydrophobicContact CB-CD1 3.61Å; R107-F109 HydrophobicContact CB-CE1 3.27Å; R107-F109 HydrophobicContact CB-CZ 4.19Å; R107-F109 HydrophobicContact CG-CE1 4.19Å; R107-F109 WeakPolarHBondContact O-CD1 3.22Å; R107-F109 PolarHBondContact O-N 3.49Å; F109-F111 HydrophobicContact CD2-CD2 4.47Å; F109-F111 AromaticContact CD2-CE2 3.97Å; F109-F111 HydrophobicContact CD2-CE2 3.97Å; F109-F111 HydrophobicContact CD2-CZ 4.22Å; F109-F111 HydrophobicContact CE2-CD2 4.35Å; F109-F111 AromaticContact CE2-CE2 3.5Å; F109-F111 HydrophobicContact CE2-CE2 3.5Å; F109-F111 AromaticContact CE2-CZ 3.78Å; F109-F111 HydrophobicContact CE2-CZ 3.78Å
110A93.4Very high86.6Confident1 Ų147 Ų471%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-135.8171174.100000110.5V75 L87 F101 I102V75-A110 HydrophobicContact CB-CB 4.34Å; V75-A110 PolarHBondContact N-O 3.08Å; V75-A110 PolarHBondContact O-N 2.96Å; L87-A110 HydrophobicContact CD1-CB 3.48Å; L87-A110 VanDerWaalsContact CD1-CB 3.48Å; F101-A110 CarbonylContact O-C 3.53Å; F101-A110 WeakPolarHBondContact O-CA 3.43Å; I102-A110 HydrophobicContact CG1-CB 3.85Å
111F92.4Very high86.3Confident22 Ų2250 Ų5010%0.09625%0.25CC..EExtended strand (participates in β ladder)trans-123.3142168.6-61.6-85.5000109.9K72 V73 F74 V100 F101 P103 F109 A140K72-F111 HydrophobicContact CD-CB 4.04Å; K72-F111 HydrophobicContact CD-CD1 4.03Å; K72-F111 HydrophobicContact CD-CG 4.25Å; K72-F111 HydrophobicContact CG-CB 4.15Å; K72-F111 HydrophobicContact CG-CD1 4.26Å; V73-F111 WeakPolarHBondContact O-CA 3.43Å; F74-F111 HydrophobicContact CB-CD1 4.39Å; F74-F111 HydrophobicContact CB-CE1 4.31Å; F74-F111 HydrophobicContact CD2-CD1 4.47Å; F74-F111 AromaticContact CD2-CE1 3.9Å; F74-F111 HydrophobicContact CD2-CE1 3.9Å; F74-F111 HydrophobicContact CD2-CZ 4.26Å; V100-F111 CarbonylContact C-O 3.56Å; V100-F111 WeakPolarHBondContact CA-O 3.26Å; F101-F111 HydrophobicContact CB-CB 4.44Å; F101-F111 AromaticContact CD1-CD2 3.75Å; F101-F111 HydrophobicContact CD1-CD2 3.75Å; F101-F111 HydrophobicContact CD1-CE2 4.28Å; F101-F111 HydrophobicContact CE1-CD2 4.47Å; F101-F111 PolarHBondContact N-O 2.75Å; F101-F111 PolarHBondContact O-N 2.78Å; P103-F111 HydrophobicContact CG-CD2 4.49Å; P103-F111 HydrophobicContact CG-CE2 4.17Å; F109-F111 HydrophobicContact CD2-CD2 4.47Å; F109-F111 AromaticContact CD2-CE2 3.97Å; F109-F111 HydrophobicContact CD2-CE2 3.97Å; F109-F111 HydrophobicContact CD2-CZ 4.22Å; F109-F111 HydrophobicContact CE2-CD2 4.35Å; F109-F111 AromaticContact CE2-CE2 3.5Å; F109-F111 HydrophobicContact CE2-CE2 3.5Å; F109-F111 AromaticContact CE2-CZ 3.78Å; F109-F111 HydrophobicContact CE2-CZ 3.78Å; F111-A140 HydrophobicContact CD1-CB 3.87Å; F111-A140 HydrophobicContact CE1-CB 4.05Å
112V92.2Very high86.2Confident0 Ų049.5 Ų49.50%026%0.257CS..EExtended strand (participates in β ladder)trans-126.3132.2175.3178.40000108.1K72 V73 V75 F91 V97 V100 F114K72-V112 CarbonylContact C-O 3.53Å; K72-V112 VanDerWaalsContact CA-O 3.27Å; K72-V112 WeakPolarHBondContact CA-O 3.44Å; V73-V112 HydrophobicContact CG2-CB 3.85Å; V73-V112 PolarHBondContact N-O 3.28Å; V73-V112 PolarHBondContact O-N 3.04Å; V75-V112 HydrophobicContact CG2-CB 4.43Å; V75-V112 HydrophobicContact CG2-CG2 3.78Å; F91-V112 HydrophobicContact CB-CG1 4.1Å; F91-V112 HydrophobicContact CD2-CB 4.38Å; F91-V112 HydrophobicContact CD2-CG1 4.18Å; F91-V112 HydrophobicContact CD2-CG2 3.65Å; F91-V112 HydrophobicContact CE2-CG2 3.79Å; F91-V112 HydrophobicContact CG-CG1 4.12Å; F91-V112 HydrophobicContact CG-CG2 4.38Å; V97-V112 HydrophobicContact CG1-CG1 3.91Å; V97-V112 HydrophobicContact CG2-CG1 4.33Å; V100-V112 HydrophobicContact CG1-CG2 4.31Å; V100-V112 HydrophobicContact CG2-CG1 4.34Å; V100-V112 HydrophobicContact CG2-CG2 4.21Å; V112-F114 HydrophobicContact CG1-CD2 4.4Å; V112-F114 HydrophobicContact CG1-CE2 3.91Å; V112-F114 HydrophobicContact CG1-CZ 4Å
113T84Confident86.1Confident22 Ų2248.4 Ų48.414%0.13525%0.252CS..EExtended strand (participates in β ladder)trans-113.4118.9178.2-46.40000109.4R71 K72 M98 D99R71-T113 HydrophobicContact CB-CG2 4.22Å; R71-T113 CarbonylContact O-C 3.49Å; R71-T113 WeakPolarHBondContact O-CA 3.46Å; K72-T113 HydrophobicContact CB-CG2 4.48Å; K72-T113 WeakPolarHBondContact CE-OG1 3.39Å; M98-T113 WeakPolarHBondContact CB-O 3.4Å; M98-T113 PolarHBondContact N-O 2.94Å; D99-T113 PolarHBondContact N-O 3.35Å; D99-T113 PolarHBondContact O-N 2.99Å
114F84.9Confident86.2Confident0 Ų049.7 Ų49.70%026%0.261CS..EExtended strand (participates in β ladder)trans-87.9161.4175.6-68.7-82.3000112.1R71 V73 F91 D96 V97 V112 D116 I119 A120 L123R71-F114 WeakPolarHBondContact CB-O 3.48Å; R71-F114 PolarHBondContact O-N 3.01Å; V73-F114 HydrophobicContact CG1-CE2 4.47Å; V73-F114 HydrophobicContact CG2-CE2 3.94Å; F91-F114 HydrophobicContact CB-CE1 4.07Å; F91-F114 HydrophobicContact CB-CZ 3.85Å; F91-F114 AromaticContact CD1-CZ 3.75Å; F91-F114 HydrophobicContact CD1-CZ 3.75Å; F91-F114 HydrophobicContact CG-CZ 4.08Å; D96-F114 CarbonylContact O-C 3.53Å; D96-F114 WeakPolarHBondContact O-CA 3.14Å; V97-F114 HydrophobicContact CG2-CD1 4.22Å; V97-F114 HydrophobicContact CG2-CE1 3.91Å; V112-F114 HydrophobicContact CG1-CD2 4.4Å; V112-F114 HydrophobicContact CG1-CE2 3.91Å; V112-F114 HydrophobicContact CG1-CZ 4Å; F114-D116 VanDerWaalsContact C-N 3.34Å; F114-D116 WeakPolarHBondContact CB-O 3.37Å; F114-I119 HydrophobicContact CD1-CB 4.4Å; F114-I119 HydrophobicContact CD1-CG2 3.77Å; F114-I119 HydrophobicContact CD2-CG2 4.31Å; F114-I119 HydrophobicContact CE1-CG2 3.79Å; F114-I119 HydrophobicContact CE2-CG2 4.33Å; F114-I119 HydrophobicContact CG-CB 4.35Å; F114-I119 HydrophobicContact CG-CG2 4.03Å; F114-I119 HydrophobicContact CZ-CG2 4.07Å; F114-A120 HydrophobicContact CD2-CB 4.09Å; F114-L123 HydrophobicContact CE2-CD1 3.8Å; F114-L123 HydrophobicContact CZ-CD1 3.57Å
115A76.4Confident86.1Confident34 Ų3444.3 Ų44.328%0.28125%0.251SS..SBendtrans-68-37.5167.600000111.4R71 D96 M98R71-A115 VanDerWaalsContact CD-O 3.25Å; R71-A115 WeakPolarHBondContact CD-O 3.44Å; D96-A115 HydrophobicContact CB-CB 3.78Å; D96-A115 PolarHBondContact O-N 2.75Å; M98-A115 HydrophobicContact CE-CB 4.29Å; M98-A115 HydrophobicContact CG-CB 4.05Å; M98-A115 HydrophobicContact SD-CB 4.23Å
116D76.2Confident86.1Confident56 Ų5645.1 Ų45.130%0.29925%0.247SC..  trans-107.6131.4-176.3-163.3-29.3000111.6F114 Q118 I119F114-D116 VanDerWaalsContact C-N 3.34Å; F114-D116 WeakPolarHBondContact CB-O 3.37Å; D116-Q118 VanDerWaalsContact C-N 3.33Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.46Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.41Å; D116-Q118 PolarHBondContact OD1-N 2.65Å; D116-I119 HydrophobicContact CB-CD1 3.8Å; D116-I119 HydrophobicContact CB-CG1 4.01Å
117D78.6Confident86.3Confident48 Ų4846.3 Ų46.326%0.25726%0.255SS..Hα-helixtrans-73.5-25.2176.659.4-90.7000113R69 R71 I119 A120 Q121R69-D117 HydrophobicContact CB-CB 4.2Å; R71-D117 HydrophobicContact CG-CB 3.76Å; D117-I119 VanDerWaalsContact C-N 3.31Å; D117-I119 PolarHBondContact O-N 3.39Å; D117-A120 PolarHBondContact O-N 3.03Å; D117-Q121 WeakPolarHBondContact O-CB 3.47Å; D117-Q121 VanDerWaalsContact O-CG 3.3Å; D117-Q121 WeakPolarHBondContact O-CG 2.92Å; D117-Q121 PolarHBondContact O-N 3.25Å
118Q81.9Confident86.5Confident94 Ų9439.5 Ų39.544%0.43923%0.231SC..Hα-helixtrans-65.9-36.5178.4-62.2-60-66.800111.3D116 Q121 S122D116-Q118 VanDerWaalsContact C-N 3.33Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.46Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.41Å; D116-Q118 PolarHBondContact OD1-N 2.65Å; Q118-Q121 PolarHBondContact O-N 3.43Å; Q118-S122 WeakPolarHBondContact O-CB 3.47Å; Q118-S122 PolarHBondContact O-N 2.74Å; Q118-S122 PolarHBondContact O-OG 2.92Å
119I86Confident86.5Confident28 Ų2843.1 Ų43.114%0.14424%0.243CC..Hα-helixtrans-63.3-51.3174-59.9170.3000109.7Y94 F114 D116 D117 Q121 S122 L123Y94-I119 WeakPolarHBondContact O-CD1 3.5Å; F114-I119 HydrophobicContact CD1-CB 4.4Å; F114-I119 HydrophobicContact CD1-CG2 3.77Å; F114-I119 HydrophobicContact CD2-CG2 4.31Å; F114-I119 HydrophobicContact CE1-CG2 3.79Å; F114-I119 HydrophobicContact CE2-CG2 4.33Å; F114-I119 HydrophobicContact CG-CB 4.35Å; F114-I119 HydrophobicContact CG-CG2 4.03Å; F114-I119 HydrophobicContact CZ-CG2 4.07Å; D116-I119 HydrophobicContact CB-CD1 3.8Å; D116-I119 HydrophobicContact CB-CG1 4.01Å; D117-I119 VanDerWaalsContact C-N 3.31Å; D117-I119 PolarHBondContact O-N 3.39Å; I119-Q121 PolarHBondContact O-N 3.15Å; I119-S122 PolarHBondContact O-N 3.29Å; I119-S122 VanDerWaalsContact O-N 3.1Å; I119-S122 PolarHBondContact O-OG 3.23Å; I119-L123 HydrophobicContact CG2-CD1 4.02Å; I119-L123 HydrophobicContact CG2-CG 4.5Å; I119-L123 WeakPolarHBondContact O-CG 3.18Å; I119-L123 PolarHBondContact O-N 2.98Å
120A84.6Confident86.4Confident2 Ų241.5 Ų41.52%0.01724%0.236CC..Hα-helixtrans-58-37.7179.100000112.4S70 V73 F114 D117 C124S70-A120 WeakPolarHBondContact O-CB 3.39Å; V73-A120 HydrophobicContact CG1-CB 3.66Å; V73-A120 WeakPolarHBondContact CG1-O 3.4Å; F114-A120 HydrophobicContact CD2-CB 4.09Å; D117-A120 PolarHBondContact O-N 3.03Å; A120-C124 PolarHBondContact O-N 2.93Å
121Q83.6Confident86.1Confident65 Ų6547.6 Ų47.630%0.30426%0.263SS..Hα-helixtrans-68-45174.4-74.3-177.3-29.200112.5R69 D117 Q118 I119 L123 C124R69-Q121 VanDerWaalsContact CD-NE2 3.31Å; D117-Q121 WeakPolarHBondContact O-CB 3.47Å; D117-Q121 VanDerWaalsContact O-CG 3.3Å; D117-Q121 WeakPolarHBondContact O-CG 2.92Å; D117-Q121 PolarHBondContact O-N 3.25Å; Q118-Q121 PolarHBondContact O-N 3.43Å; I119-Q121 PolarHBondContact O-N 3.15Å; Q121-L123 PolarHBondContact O-N 3.39Å; Q121-C124 WeakPolarHBondContact O-CB 3.41Å; Q121-C124 PolarHBondContact O-N 3.28Å; Q121-C124 VanDerWaalsContact O-N 3.12Å
122S86.5Confident85.9Confident80 Ų8049.8 Ų49.856%0.55929%0.292SS*.Hα-helixtrans-64.2-28.9-178.869.70000113.4Q118 I119Q118-S122 WeakPolarHBondContact O-CB 3.47Å; Q118-S122 PolarHBondContact O-N 2.74Å; Q118-S122 PolarHBondContact O-OG 2.92Å; I119-S122 PolarHBondContact O-N 3.29Å; I119-S122 VanDerWaalsContact O-N 3.1Å; I119-S122 PolarHBondContact O-OG 3.23Å
123L88.9Confident85.8Confident8 Ų852.3 Ų52.34%0.04230%0.304CS..THydrogen-bonded Turntrans-85-14.8177.1-64.9175.9000112.7F91 Y94 F114 I119 Q121 G125 E126 L128 I137F91-L123 HydrophobicContact CD1-CD1 4.17Å; F91-L123 HydrophobicContact CE1-CD1 4.33Å; Y94-L123 HydrophobicContact CD1-CD2 3.75Å; Y94-L123 HydrophobicContact CD2-CD1 4.17Å; Y94-L123 HydrophobicContact CD2-CD2 4.31Å; Y94-L123 HydrophobicContact CE1-CD2 3.84Å; Y94-L123 HydrophobicContact CE2-CD2 4.41Å; Y94-L123 HydrophobicContact CG-CD1 4.09Å; Y94-L123 HydrophobicContact CG-CD2 3.99Å; F114-L123 HydrophobicContact CE2-CD1 3.8Å; F114-L123 HydrophobicContact CZ-CD1 3.57Å; I119-L123 HydrophobicContact CG2-CD1 4.02Å; I119-L123 HydrophobicContact CG2-CG 4.5Å; I119-L123 WeakPolarHBondContact O-CG 3.18Å; I119-L123 PolarHBondContact O-N 2.98Å; Q121-L123 PolarHBondContact O-N 3.39Å; L123-G125 PolarHBondContact O-N 3.03Å; L123-E126 WeakPolarHBondContact O-CB 3.43Å; L123-E126 PolarHBondContact O-N 2.82Å; L123-L128 HydrophobicContact CD2-CD1 4.31Å; L123-I137 HydrophobicContact CB-CG2 4.07Å; L123-I137 WeakPolarHBondContact O-CB 3.26Å; L123-I137 WeakPolarHBondContact O-CG2 3.2Å
124C85.8Confident86.3Confident38 Ų3853.9 Ų53.926%0.25732%0.316SS..THydrogen-bonded Turntrans-70.8128.6-175.2-168.60000111.5A120 Q121 E126 S138 N139A120-C124 PolarHBondContact O-N 2.93Å; Q121-C124 WeakPolarHBondContact O-CB 3.41Å; Q121-C124 PolarHBondContact O-N 3.28Å; Q121-C124 VanDerWaalsContact O-N 3.12Å; C124-E126 VanDerWaalsContact C-N 3.34Å; C124-S138 VanDerWaalsContact SG-C 3.59Å; C124-N139 PolarHBondContact SG-N 3.25Å; C124-N139 PolarHBondContact SG-OD1 2.81Å
125G83.7Confident86.8Confident46 Ų4653.9 Ų53.947%0.47432%0.316SS..THydrogen-bonded Turntrans91.9-8.5-176.400000113.8L123 I137L123-G125 PolarHBondContact O-N 3.03Å; G125-I137 WeakPolarHBondContact CA-O 3.22Å; G125-I137 PolarHBondContact N-O 3.48Å
126E87.8Confident87.5Confident108 Ų10854.8 Ų54.851%0.50532%0.315SS..  trans-83.4148179.1-64.3-63.3142.700112.1L123 C124 L128 I137L123-E126 WeakPolarHBondContact O-CB 3.43Å; L123-E126 PolarHBondContact O-N 2.82Å; C124-E126 VanDerWaalsContact C-N 3.34Å; E126-L128 HydrophobicContact CB-CD2 4.29Å; E126-I137 PolarHBondContact O-N 2.82Å
127D92.1Very high88.3Confident79 Ų7952.1 Ų52.142%0.42230%0.3SS..EExtended strand (participates in β ladder)trans-102.2117167.2-71.7-83.1000108.7R77 V135 H136R77-D127 IonicContact CZ-OD1 3.35Å; R77-D127 IonicContact NH1-OD1 3.01Å; R77-D127 PolarHBondContact NH1-OD1 2.82Å; D127-V135 CarbonylContact C-O 3.59Å; D127-V135 WeakPolarHBondContact CA-O 3.5Å; D127-H136 IonicContact OD1-CG 2.99Å; D127-H136 IonicContact OD1-ND1 3.98Å; D127-H136 PolarHBondContact OD1-ND1 2.89Å; D127-H136 IonicContact OD2-ND1 3.26Å
128L92.6Very high88.7Confident18 Ų1851.5 Ų51.59%0.09430%0.299CS..EExtended strand (participates in β ladder)trans-105.8153.2-179.2-55.8-178.9000110.5F90 F91 Y94 L123 E126 S134 V135 I137F90-L128 HydrophobicContact CE1-CB 4.27Å; F90-L128 HydrophobicContact CE1-CD1 4.02Å; F90-L128 HydrophobicContact CZ-CB 4.35Å; F91-L128 HydrophobicContact CE1-CD1 3.67Å; F91-L128 HydrophobicContact CZ-CD1 4.26Å; Y94-L128 HydrophobicContact CE2-CD1 4.19Å; L123-L128 HydrophobicContact CD2-CD1 4.31Å; E126-L128 HydrophobicContact CB-CD2 4.29Å; L128-S134 CarbonylContact O-C 3.58Å; L128-S134 WeakPolarHBondContact O-CA 3.38Å; L128-V135 HydrophobicContact CB-CG2 3.93Å; L128-V135 PolarHBondContact N-O 2.98Å; L128-V135 WeakPolarHBondContact O-CG2 3.05Å; L128-V135 PolarHBondContact O-N 2.89Å; L128-I137 HydrophobicContact CD1-CD1 4.1Å; L128-I137 HydrophobicContact CD1-CG1 3.8Å; L128-I137 HydrophobicContact CG-CG1 3.98Å
129I92.4Very high88.8Confident118 Ų11851.2 Ų51.261%0.60530%0.301SS*.EExtended strand (participates in β ladder)trans-106.7114.2177.6-58.5176000109.4F90 I133F90-I129 WeakPolarHBondContact CE2-O 3.34Å; I129-I133 CarbonylContact C-O 3.57Å; I129-I133 WeakPolarHBondContact CA-O 3.32Å
130I91.1Very high88.5Confident5 Ų550.1 Ų50.13%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-115.5117.7175.7-55.2-178.7000107.7M82 L87 F90 F91 G132 I133 V135M82-I130 HydrophobicContact CE-CB 3.74Å; M82-I130 HydrophobicContact CE-CG2 3.88Å; M82-I130 WeakPolarHBondContact CE-O 3.42Å; M82-I130 HydrophobicContact SD-CG2 4.39Å; L87-I130 HydrophobicContact CD2-CD1 3.82Å; F90-I130 HydrophobicContact CD1-CD1 3.63Å; F90-I130 HydrophobicContact CD1-CG1 3.72Å; F90-I130 HydrophobicContact CD2-CG1 4.08Å; F90-I130 HydrophobicContact CE1-CD1 3.84Å; F90-I130 HydrophobicContact CE1-CG1 3.6Å; F90-I130 HydrophobicContact CE2-CG1 3.97Å; F90-I130 HydrophobicContact CG-CD1 4.1Å; F90-I130 HydrophobicContact CG-CG1 3.96Å; F90-I130 HydrophobicContact CZ-CD1 4.47Å; F90-I130 HydrophobicContact CZ-CG1 3.73Å; F91-I130 HydrophobicContact CE2-CD1 4.08Å; F91-I130 HydrophobicContact CZ-CD1 4.3Å; I130-G132 PolarHBondContact O-N 3.41Å; I130-I133 PolarHBondContact N-O 2.96Å; I130-I133 WeakPolarHBondContact O-CB 3.43Å; I130-I133 PolarHBondContact O-N 2.88Å; I130-V135 HydrophobicContact CD1-CG1 4.27Å; I130-V135 HydrophobicContact CD1-CG2 3.66Å; I130-V135 HydrophobicContact CG1-CG1 4.5Å; I130-V135 HydrophobicContact CG1-CG2 3.9Å
131K87Confident88Confident129 Ų12958 Ų5856%0.56133%0.333SS*.THydrogen-bonded Turntrans53.735.1-177.9-63.216967.6172.60113.7E86 I133E86-K131 IonicContact OE1-NZ 2.73Å; E86-K131 PolarHBondContact OE1-NZ 2.83Å; E86-K131 WeakPolarHBondContact OE2-CD 3.48Å; E86-K131 IonicContact OE2-NZ 2.94Å; E86-K131 PolarHBondContact OE2-NZ 3.43Å; K131-I133 VanDerWaalsContact C-N 3.26Å; K131-I133 PolarHBondContact O-N 2.94Å
132G87.6Confident86.8Confident68 Ų6859.5 Ų59.570%0.70135%0.348SS*.THydrogen-bonded Turntrans79.52.1-177.100000114.7I130I130-G132 PolarHBondContact O-N 3.41Å
133I91.2Very high85.1Confident53 Ų5363.4 Ų63.427%0.27236%0.355SS..EExtended strand (participates in β ladder)trans-102128.6178.2-61.3155.7000109T79 M82 I129 I130 K131 V135T79-I133 HydrophobicContact CG2-CD1 3.55Å; T79-I133 HydrophobicContact CG2-CG1 4.35Å; T79-I133 HydrophobicContact CG2-CG2 4.27Å; T79-I133 WeakPolarHBondContact OG1-CD1 3.14Å; M82-I133 HydrophobicContact CE-CB 3.74Å; M82-I133 HydrophobicContact CE-CD1 3.74Å; M82-I133 HydrophobicContact CE-CG1 4.35Å; M82-I133 HydrophobicContact CE-CG2 3.97Å; I129-I133 CarbonylContact C-O 3.57Å; I129-I133 WeakPolarHBondContact CA-O 3.32Å; I130-I133 PolarHBondContact N-O 2.96Å; I130-I133 WeakPolarHBondContact O-CB 3.43Å; I130-I133 PolarHBondContact O-N 2.88Å; K131-I133 VanDerWaalsContact C-N 3.26Å; K131-I133 PolarHBondContact O-N 2.94Å; I133-V135 PolarHBondContact O-N 3.35Å
134S93.2Very high82.8Confident55 Ų5570.5 Ų70.539%0.38539%0.388SS..EExtended strand (participates in β ladder)trans-77.8112.8174.1175.80000110.6L128L128-S134 CarbonylContact O-C 3.58Å; L128-S134 WeakPolarHBondContact O-CA 3.38Å
135V94.8Very high80.4Confident0 Ų076.1 Ų76.10%042%0.415CS..EExtended strand (participates in β ladder)trans-101.1143.7172.1-58.60000110.1V75 G76 M82 D127 L128 I130 I133 I137V75-V135 HydrophobicContact CG1-CB 3.93Å; V75-V135 HydrophobicContact CG1-CG1 4.39Å; V75-V135 HydrophobicContact CG1-CG2 4Å; G76-V135 VanDerWaalsContact O-CA 3.31Å; G76-V135 WeakPolarHBondContact O-CA 3.39Å; G76-V135 WeakPolarHBondContact O-CB 3.49Å; M82-V135 HydrophobicContact CE-CG1 3.94Å; M82-V135 HydrophobicContact SD-CG1 4.11Å; D127-V135 CarbonylContact C-O 3.59Å; D127-V135 WeakPolarHBondContact CA-O 3.5Å; L128-V135 HydrophobicContact CB-CG2 3.93Å; L128-V135 PolarHBondContact N-O 2.98Å; L128-V135 WeakPolarHBondContact O-CG2 3.05Å; L128-V135 PolarHBondContact O-N 2.89Å; I130-V135 HydrophobicContact CD1-CG1 4.27Å; I130-V135 HydrophobicContact CD1-CG2 3.66Å; I130-V135 HydrophobicContact CG1-CG1 4.5Å; I130-V135 HydrophobicContact CG1-CG2 3.9Å; I133-V135 PolarHBondContact O-N 3.35Å; V135-I137 HydrophobicContact CG2-CD1 4.22Å
136H92.1Very high78.1Confident53 Ų5378.8 Ų78.825%0.24543%0.426CS..EExtended strand (participates in β ladder)trans-106.1129.7-180-177.571.2000110.5G76 D127G76-H136 PolarHBondContact N-O 3.24Å; G76-H136 PolarHBondContact O-N 3.37Å; G76-H136 VanDerWaalsContact O-N 3.08Å; D127-H136 IonicContact OD1-CG 2.99Å; D127-H136 IonicContact OD1-ND1 3.98Å; D127-H136 PolarHBondContact OD1-ND1 2.89Å; D127-H136 IonicContact OD2-ND1 3.26Å
137I92.4Very high75.6Confident0 Ų081 Ų810%044%0.442CS..EExtended strand (participates in β ladder)trans-101.4128.1-178.4-47.5-57.4000110V73 F74 V75 F91 L123 G125 E126 L128 V135V73-I137 HydrophobicContact CB-CG2 3.78Å; V73-I137 HydrophobicContact CG1-CG2 4.09Å; V73-I137 HydrophobicContact CG2-CG2 4.13Å; F74-I137 WeakPolarHBondContact O-CA 3.34Å; V75-I137 HydrophobicContact CB-CD1 4.25Å; V75-I137 HydrophobicContact CG1-CD1 3.86Å; V75-I137 HydrophobicContact CG2-CD1 3.97Å; F91-I137 HydrophobicContact CE1-CD1 3.99Å; F91-I137 HydrophobicContact CZ-CD1 3.66Å; L123-I137 HydrophobicContact CB-CG2 4.07Å; L123-I137 WeakPolarHBondContact O-CB 3.26Å; L123-I137 WeakPolarHBondContact O-CG2 3.2Å; G125-I137 WeakPolarHBondContact CA-O 3.22Å; G125-I137 PolarHBondContact N-O 3.48Å; E126-I137 PolarHBondContact O-N 2.82Å; L128-I137 HydrophobicContact CD1-CD1 4.1Å; L128-I137 HydrophobicContact CD1-CG1 3.8Å; L128-I137 HydrophobicContact CG-CG1 3.98Å; V135-I137 HydrophobicContact CG2-CD1 4.22Å
138S86.5Confident73.1Confident34 Ų3488.5 Ų88.524%0.23846%0.464CS..EExtended strand (participates in β ladder)trans-139.9171.7176.3710000112.4F74 C124 A140F74-S138 VanDerWaalsContact CD1-OG 3.27Å; F74-S138 WeakPolarHBondContact CD1-OG 3.43Å; F74-S138 PolarHBondContact N-O 3.34Å; F74-S138 PolarHBondContact O-N 3.01Å; C124-S138 VanDerWaalsContact SG-C 3.59Å; S138-A140 PolarHBondContact O-N 2.62Å
139N84.4Confident70.5Confident88 Ų8896.2 Ų96.247%0.47150%0.5SS..EExtended strand (participates in β ladder)trans-57.6128.7173.8-70.984.2000109.7C124 E141C124-N139 PolarHBondContact SG-N 3.25Å; C124-N139 PolarHBondContact SG-OD1 2.81Å; N139-E141 PolarHBondContact O-N 2.8Å; N139-E141 VanDerWaalsContact O-N 3.1Å
140A79.4Confident67.7Low6 Ų697.3 Ų97.35%0.0551%0.506CS..  trans-68114.2170.900000109.5K72 F111 S138K72-A140 HydrophobicContact CB-CB 3.97Å; K72-A140 HydrophobicContact CD-CB 3.94Å; K72-A140 HydrophobicContact CG-CB 3.56Å; K72-A140 WeakPolarHBondContact O-CB 3.48Å; K72-A140 PolarHBondContact O-N 3.43Å; F111-A140 HydrophobicContact CD1-CB 3.87Å; F111-A140 HydrophobicContact CE1-CB 4.05Å; S138-A140 PolarHBondContact O-N 2.62Å
141E74.9Confident65Low167 Ų167103.4 Ų103.478%0.7853%0.534SS*.  trans-64.4126.2172.8-66.1-171.3159.400109.1N139 K143N139-E141 PolarHBondContact O-N 2.8Å; N139-E141 VanDerWaalsContact O-N 3.1Å; E141-K143 PolarHBondContact O-N 2.76Å; E141-K143 VanDerWaalsContact O-N 3.08Å
142P59.1Low62.4Low96 Ų96107.1 Ų107.162%0.62355%0.545SS*.  trans-60.6120.9171.723.7-29.7000107.1L68 H144L68-P142 HydrophobicContact CD2-CG 4.01Å; P142-H144 VanDerWaalsContact C-N 3.33Å; P142-H144 PolarHBondContact O-N 2.79Å
143K50.8Low59.9Low163 Ų163109.5 Ų109.571%0.70955%0.551SS**  trans-55.4104.7168-79.9-173.5176.8-179.80107E141 N145E141-K143 PolarHBondContact O-N 2.76Å; E141-K143 VanDerWaalsContact O-N 3.08Å; K143-N145 VanDerWaalsContact C-N 3.33Å; K143-N145 PolarHBondContact O-N 2.75Å
144H40.5Very low56.8Low157 Ų157110.8 Ų110.873%0.72758%0.577SS**  trans-63.1101.9173.3-166.778.2000106P142 S146P142-H144 VanDerWaalsContact C-N 3.33Å; P142-H144 PolarHBondContact O-N 2.79Å; H144-S146 VanDerWaalsContact C-N 3.28Å; H144-S146 PolarHBondContact O-N 3.46Å
145N34.5Very low53.9Low155 Ų155118.4 Ų118.483%0.82960%0.598SS**  trans-68.899.4168.7-144.214000104.6K143 N147K143-N145 VanDerWaalsContact C-N 3.33Å; K143-N145 PolarHBondContact O-N 2.75Å; N145-N147 PolarHBondContact O-N 2.92Å
146S34.9Very low50.8Low102 Ų102127.5 Ų127.571%0.71364%0.637SS**SBendtrans-66.571.8-176.528.30000110.5H144H144-S146 VanDerWaalsContact C-N 3.28Å; H144-S146 PolarHBondContact O-N 3.46Å
147N36.5Very low47.9Very low154 Ų154128.4 Ų128.482%0.82466%0.661SS**  trans-163.334.4158.2-137.75.3000118N145N145-N147 PolarHBondContact O-N 2.92Å
148R38.4Very low45Very low237 Ų237135.6 Ų135.689%0.89471%0.705SS**  trans-139.676.6162.6-75.9-165-173174.42.9112
149Q38.9Very low42.3Very low181 Ų181142.8 Ų142.885%0.84673%0.734SS**  trans-73.3146.5153.5-124.4-173.21600109.6
150L34.5Very low39.7Very low140 Ų140146.5 Ų146.573%0.73375%0.753SS**  trans97.4133150.6-123.372.5000120.2
151E32.9Very low37.4Very low133 Ų133153.6 Ų153.662%0.62179%0.788SS**  trans90.370.7162.6-56.9-67.2110.600118.2
152R33.6Very low35.4Very low207 Ų207150.5 Ų150.578%0.78179%0.785SS**  59.9123.7103.4-66.9177.6110172.44.6119.9
153S34.6Very low33.9Very low118 Ų118152.4 Ų152.483%0.82579%0.79SS**  trans49.7120.4132.465.50000120.1
154G25.8Very low33.3Very low80 Ų80150 Ų15083%0.82579%0.789SS**  trans176.291.5161.300000110.9
155R33.1Very low32.8Very low216 Ų216152.8 Ų152.882%0.81580%0.795SS**  trans-53.7149.7175.5-68.2171.8174175.9-3.7111.6
156F28.8Very low33Very low191 Ų191149.1 Ų149.184%0.83879%0.793SS**  148.7119.9119.4-78.4-70.5000113.1
157G31.7Very low33.6Very low71 Ų71151.2 Ų151.273%0.73279%0.786SS**  trans63.2108.1136.900000119.2
158V30.7Very low34.7Very low152 Ų152147.2 Ų147.292%0.92177%0.77SS**  -155.7137.4128.4-100.40000110.2
159H29.5Very low36.1Very low184 Ų184136.7 Ų136.785%0.85273%0.732SS**  trans-49.4134.3-171.7-93.746000114.8I161H159-I161 PolarHBondContact O-N 3.15Å
160L30.5Very low37.8Very low167 Ų167129.5 Ų129.587%0.87470%0.701SS**  trans-65.4117.2156.8-70.1163000108.1
161I31.6Very low39.7Very low154 Ų154122.8 Ų122.879%0.7967%0.667SS**  trans-103.4100.3148.3-6.4177.8000104.8H159 N163H159-I161 PolarHBondContact O-N 3.15Å; I161-N163 PolarHBondContact O-N 2.92Å
162S32.3Very low42Very low103 Ų103119.8 Ų119.872%0.7265%0.651SS**  trans-55.3112.116744.90000108.6
163N28.4Very low44.2Very low135 Ų135110.1 Ų110.172%0.72262%0.615SS**  trans-104.2116.2155.2-115.737.5000107.5I161I161-N163 PolarHBondContact O-N 2.92Å
164V36.7Very low46.2Very low114 Ų114107.6 Ų107.669%0.69160%0.595SS**SBendtrans-49.8143.1160.9-177.20000108
165Y31.5Very low48.2Very low214 Ų214106.2 Ų106.284%0.83957%0.568SS**SBendtrans87.695.8-170.6-57.2-79.6000115.1R167Y165-R167 PolarHBondContact O-N 3.18Å
166G37.8Very low49Very low78 Ų78100.8 Ų100.880%0.80456%0.556SS**  trans-74.170-170.900000116.5
167R48.7Very low50.1Low146 Ų14696 Ų9655%0.55154%0.541SS*.  trans-139.3121.3157.8-67.3-174.3176.3-177.7-5.6110.2D96 Y165 T169D96-R167 IonicContact OD2-NH2 3.96Å; Y165-R167 PolarHBondContact O-N 3.18Å; R167-T169 PolarHBondContact O-N 3.44Å
168S59.6Low51.1Low70 Ų7097.4 Ų97.449%0.4953%0.531SS..  trans-72.9110.3179.4-178.60000110.7Q38 S170Q38-S168 PolarHBondContact NE2-O 3.31Å; Q38-S168 PolarHBondContact OE1-O 2.79Å; S168-S170 PolarHBondContact O-N 3.23Å
169T66.5Low52.3Low17 Ų1794.2 Ų94.210%0.10451%0.508CS..  trans-75.616.2174.960.50000114R31 F32 R167R31-T169 WeakPolarHBondContact CA-O 3.13Å; R31-T169 WeakPolarHBondContact CG-OG1 3.27Å; R31-T169 PolarHBondContact NE-OG1 3.32Å; F32-T169 PolarHBondContact N-O 2.85Å; F32-T169 VanDerWaalsContact N-O 3.13Å; F32-T169 WeakPolarHBondContact O-CB 3.34Å; F32-T169 PolarHBondContact O-OG1 2.96Å; R167-T169 PolarHBondContact O-N 3.44Å
170S74.1Confident53.7Low29 Ų2988.6 Ų88.620%0.20349%0.486CS..EExtended strand (participates in β ladder)trans-91.8140.1-179.7-58.50000110.9V30 Q38 P58 S168V30-S170 CarbonylContact O-C 3.45Å; V30-S170 WeakPolarHBondContact O-CA 3.31Å; Q38-S170 PolarHBondContact NE2-O 2.85Å; P58-S170 WeakPolarHBondContact CD-O 3.28Å; S168-S170 PolarHBondContact O-N 3.23Å
171L75.6Confident55.3Low0 Ų083.3 Ų83.30%046%0.46CS..EExtended strand (participates in β ladder)trans-119.7143171.4-64.4178.3000110.1F29 V30 F32 Q38 V41 M42 C55 K56 L57F29-L171 CarbonylContact C-O 3.53Å; F29-L171 WeakPolarHBondContact CA-O 3.42Å; V30-L171 HydrophobicContact CG1-CB 3.78Å; V30-L171 HydrophobicContact CG1-CD1 4.46Å; V30-L171 PolarHBondContact N-O 3.29Å; V30-L171 PolarHBondContact O-N 2.76Å; F32-L171 HydrophobicContact CD2-CD1 4.48Å; F32-L171 HydrophobicContact CE2-CD1 4.11Å; Q38-L171 HydrophobicContact CG-CD1 3.89Å; Q38-L171 HydrophobicContact CG-CD2 3.46Å; Q38-L171 VanDerWaalsContact CG-CD2 3.46Å; Q38-L171 HydrophobicContact CG-CG 3.66Å; V41-L171 HydrophobicContact CB-CD1 4Å; V41-L171 HydrophobicContact CG1-CD1 3.62Å; M42-L171 HydrophobicContact CG-CD1 3.96Å; M42-L171 HydrophobicContact CG-CD2 3.39Å; M42-L171 HydrophobicContact CG-CG 4.33Å; M42-L171 HydrophobicContact SD-CD2 3.34Å; M42-L171 WeakPolarHBondContact SD-CD2 3.34Å; C55-L171 HydrophobicContact CB-CD1 4.23Å; K56-L171 CarbonylContact O-C 3.54Å; K56-L171 WeakPolarHBondContact O-CA 3.08Å; L57-L171 HydrophobicContact CD2-CD2 4.17Å
172K80.4Confident56.9Low70 Ų7078.3 Ų78.330%0.30444%0.437SS..EExtended strand (participates in β ladder)trans-89.1120162.1-175.7-179.6176.3-174.80108.4F27 G28 F29 K56 P58F27-K172 HydrophobicContact CD2-CD 4.26Å; F27-K172 VanDerWaalsContact CD2-CE 3.42Å; F27-K172 HydrophobicContact CD2-CG 4.13Å; G28-K172 CarbonylContact O-C 3.37Å; G28-K172 WeakPolarHBondContact O-CA 3.46Å; F29-K172 HydrophobicContact CD1-CB 3.99Å; F29-K172 HydrophobicContact CD1-CG 4.36Å; F29-K172 HydrophobicContact CE1-CB 3.79Å; F29-K172 HydrophobicContact CE1-CD 4.31Å; F29-K172 HydrophobicContact CE1-CG 3.92Å; F29-K172 HydrophobicContact CZ-CG 4.42Å; K56-K172 PolarHBondContact N-O 2.87Å; K56-K172 PolarHBondContact O-N 3.29Å; P58-K172 HydrophobicContact CB-CB 4.24Å
173V79.8Confident58.8Low4 Ų476.4 Ų76.42%0.02442%0.415CS..EExtended strand (participates in β ladder)trans-99.4119.8174.4-173.40000107.4F4 F27 G28 V30 I48 C53 L175F4-V173 HydrophobicContact CE2-CG1 4.2Å; F4-V173 HydrophobicContact CE2-CG2 3.87Å; F4-V173 HydrophobicContact CZ-CB 4.41Å; F4-V173 HydrophobicContact CZ-CG1 3.88Å; F4-V173 HydrophobicContact CZ-CG2 3.64Å; F27-V173 CarbonylContact C-O 3.5Å; F27-V173 WeakPolarHBondContact CA-O 3.23Å; F27-V173 VanDerWaalsContact CB-O 3.27Å; F27-V173 WeakPolarHBondContact CB-O 3.38Å; G28-V173 PolarHBondContact N-O 3.15Å; G28-V173 PolarHBondContact O-N 3.45Å; V30-V173 HydrophobicContact CB-CG2 4.36Å; V30-V173 HydrophobicContact CG1-CG2 3.66Å; I48-V173 HydrophobicContact CD1-CG1 4.43Å; C53-V173 HydrophobicContact CB-CG1 3.96Å; V173-L175 HydrophobicContact CG1-CD2 4.05Å
174V77.3Confident61.4Low65 Ų6571.5 Ų71.539%0.39439%0.389SS..EExtended strand (participates in β ladder)trans-87.8117.2172.4-177.30000107.4C53 D54C53-V174 WeakPolarHBondContact CA-O 3.45Å; C53-V174 VanDerWaalsContact CB-O 3.22Å; C53-V174 WeakPolarHBondContact CB-O 3.32Å; D54-V174 PolarHBondContact N-O 2.81Å; D54-V174 PolarHBondContact O-N 2.83Å
175L68.5Low63.6Low51 Ų5167.6 Ų67.627%0.26736%0.362SS..  trans-870-175.3-65.7173000110.8V15 G26 R51 V173V15-L175 HydrophobicContact CG1-CD1 4.25Å; G26-L175 PolarHBondContact O-N 3.43Å; R51-L175 WeakPolarHBondContact CD-OXT 3.45Å; R51-L175 VanDerWaalsContact CG-OXT 3.26Å; R51-L175 WeakPolarHBondContact CG-OXT 3.18Å; R51-L175 PolarHBondContact NE-O 2.85Å; R51-L175 PolarHBondContact NE-OXT 2.86Å; R51-L175 PolarHBondContact NH2-O 3.31Å; V173-L175 HydrophobicContact CG1-CD2 4.05Å

Retrieved 175 of 175 residues in 47.2 ms (Link to these results)

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