A0A060Y7X8_ONCMY Loading...

Valosin containing protein lysine (K) methyltransferase

AlphaFold DB , UniProt , Accession A0A060Y7X8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene vcpkmt, Length 223 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
1M35Very low49.2Very low246 Ų246142.6 Ų142.6100%1.21273%0.732SS**  078.80-67.4-91.4-79.500106.6
2A32.9Very low52.8Low94 Ų94136.7 Ų136.778%0.77770%0.697SS**  trans-100.2117.8173.300000106H4A2-H4 PolarHBondContact O-N 2.62Å
3E36.7Very low56.1Low179 Ų179130.5 Ų130.584%0.83667%0.67SS**  trans-61.5119.5176.5-69.3171.6153.400109T5E3-T5 VanDerWaalsContact C-N 3.25Å; E3-T5 PolarHBondContact O-N 3.34Å
4H40.8Very low58.9Low187 Ų187128.2 Ų128.287%0.86665%0.648SS**  trans-70.486.6165.3-86.3-86.3000108.2A2 L6A2-H4 PolarHBondContact O-N 2.62Å; H4-L6 PolarHBondContact O-N 3.45Å
5T39.5Very low61.5Low110 Ų110125.8 Ų125.868%0.67564%0.638SS**  trans-69.197.1166.5-33.30000107.5E3 H7E3-T5 VanDerWaalsContact C-N 3.25Å; E3-T5 PolarHBondContact O-N 3.34Å; T5-H7 PolarHBondContact O-N 3.12Å
6L42.6Very low63.8Low143 Ų143118.4 Ų118.475%0.74960%0.601SS**  trans-55.7111.8170.4-81.8150.8000108.3H4 H8H4-L6 PolarHBondContact O-N 3.45Å; L6-H8 VanDerWaalsContact C-N 3.33Å; L6-H8 PolarHBondContact O-N 3.11Å; L6-H8 PolarHBondContact O-ND1 3.18Å
7H45.6Very low65.8Low140 Ų140118.1 Ų118.165%0.64860%0.597SS**  trans-63.987.1-179.8-74.1-64.5000111.2T5 N9T5-H7 PolarHBondContact O-N 3.12Å; H7-N9 PolarHBondContact O-N 3.3Å
8H48.3Very low67.6Low169 Ų169111.9 Ų111.978%0.78257%0.565SS**THydrogen-bonded Turntrans-63-1.7172.6-77.818.1000114L6L6-H8 VanDerWaalsContact C-N 3.33Å; L6-H8 PolarHBondContact O-N 3.11Å; L6-H8 PolarHBondContact O-ND1 3.18Å
9N57.3Low69.1Low143 Ų143110.9 Ų110.977%0.76556%0.562SS**THydrogen-bonded Turntrans-98.11.9-177.6-92.82.2000115.4H7H7-N9 PolarHBondContact O-N 3.3Å
10N77.4Confident70.5Confident84 Ų84110.4 Ų110.445%0.44956%0.56SS.*SBendtrans-98.1-11.4-173-71.2-8.9000114.6F30N10-F30 WeakPolarHBondContact O-CD2 3.34Å; N10-F30 PolarHBondContact O-N 3.42Å; N10-F30 VanDerWaalsContact O-N 3.13Å
11Y85.4Confident71.7Confident74 Ų74107.2 Ų107.229%0.2956%0.556SS.*EExtended strand (participates in β ladder)trans-121.8145-174.5-55.5-65.2000113.4K27 Q28 C29 F30 L101Y11-K27 HydrophobicContact CD1-CB 4.19Å; Y11-K27 HydrophobicContact CG-CB 4.07Å; Y11-Q28 CarbonylContact C-O 3.48Å; Y11-Q28 WeakPolarHBondContact CA-O 3.43Å; Y11-C29 WeakPolarHBondContact CE1-SG 3.43Å; Y11-F30 VanDerWaalsContact C-CE2 3.45Å; Y11-F30 WeakPolarHBondContact O-CE2 3.39Å; Y11-L101 HydrophobicContact CD1-CD1 4.07Å; Y11-L101 HydrophobicContact CE1-CD1 3.7Å
12F91.8Very high74.7Confident71 Ų7196.9 Ų96.931%0.31151%0.507SS..EExtended strand (participates in β ladder)trans-113.8157.7159.760.9-76.2000109.6K27 Q28 C29 F30 V37F12-K27 CarbonylContact O-C 3.5Å; F12-K27 WeakPolarHBondContact O-CA 3.31Å; F12-Q28 HydrophobicContact CD1-CB 4.07Å; F12-Q28 WeakPolarHBondContact CD1-O 3.39Å; F12-Q28 HydrophobicContact CD2-CB 4.19Å; F12-Q28 HydrophobicContact CE1-CB 3.67Å; F12-Q28 HydrophobicContact CE2-CB 3.84Å; F12-Q28 HydrophobicContact CE2-CG 4.36Å; F12-Q28 HydrophobicContact CG-CB 4.31Å; F12-Q28 HydrophobicContact CZ-CB 3.54Å; F12-Q28 HydrophobicContact CZ-CG 4.37Å; F12-Q28 PolarHBondContact N-O 2.97Å; F12-Q28 PolarHBondContact O-N 2.85Å; F12-C29 WeakPolarHBondContact CE1-O 3.34Å; F12-F30 HydrophobicContact CB-CE1 3.92Å; F12-F30 HydrophobicContact CB-CE2 4.16Å; F12-F30 HydrophobicContact CB-CZ 3.61Å; F12-F30 AromaticContact CD1-CD1 3.71Å; F12-F30 HydrophobicContact CD1-CD1 3.71Å; F12-F30 HydrophobicContact CD1-CD2 4.35Å; F12-F30 AromaticContact CD1-CE1 3.72Å; F12-F30 HydrophobicContact CD1-CE1 3.72Å; F12-F30 HydrophobicContact CD1-CE2 4.35Å; F12-F30 HydrophobicContact CD1-CG 4.04Å; F12-F30 HydrophobicContact CD1-CZ 4.07Å; F12-F30 HydrophobicContact CE1-CD1 4.25Å; F12-F30 HydrophobicContact CG-CE1 4.09Å; F12-F30 HydrophobicContact CG-CZ 4.24Å; F12-V37 HydrophobicContact CZ-CG1 4.49Å
13T95.4Very high77.8Confident56 Ų5694.6 Ų94.634%0.34448%0.484SS..EExtended strand (participates in β ladder)trans-106.5133.3-175.7-64.30000110.7D15 K25 I26 K27T13-D15 WeakPolarHBondContact CG2-OD1 3.36Å; T13-K25 HydrophobicContact CG2-CB 4Å; T13-I26 CarbonylContact C-O 3.56Å; T13-I26 VanDerWaalsContact CA-O 3.31Å; T13-I26 WeakPolarHBondContact CA-O 3.4Å; T13-K27 WeakPolarHBondContact OG1-CD 3.48Å; T13-K27 PolarHBondContact OG1-NZ 3.38Å
14R96.5Very high80.8Confident99 Ų9986 Ų8637%0.37444%0.444SS..EExtended strand (participates in β ladder)trans-102.7123.3160.9179.167.6172.1-92.98.5108.1V16 I26 Q28 V38R14-V16 HydrophobicContact CG-CG2 4.23Å; R14-I26 PolarHBondContact N-O 2.94Å; R14-I26 WeakPolarHBondContact O-CB 3.22Å; R14-I26 PolarHBondContact O-N 3.03Å; R14-Q28 VanDerWaalsContact CB-NE2 3.32Å; R14-V38 HydrophobicContact CB-CG2 4.18Å; R14-V38 HydrophobicContact CG-CB 4.31Å; R14-V38 HydrophobicContact CG-CG1 4.48Å; R14-V38 HydrophobicContact CG-CG2 4.29Å
15D97.9Very high83.5Confident92 Ų9282.5 Ų82.549%0.49243%0.426SS..EExtended strand (participates in β ladder)trans-85133.8171.3-73.8-1.4000108.9T13 V23 L24T13-D15 WeakPolarHBondContact CG2-OD1 3.36Å; D15-V23 HydrophobicContact CB-CG1 3.59Å; D15-L24 WeakPolarHBondContact CA-O 3.47Å
16V98.1Very high86.3Confident8 Ų877.3 Ų77.35%0.04839%0.394CS..EExtended strand (participates in β ladder)trans-124.3109.2173.8179.70000108.2R14 L24 I26 V78 M82R14-V16 HydrophobicContact CG-CG2 4.23Å; V16-L24 HydrophobicContact CB-CB 4.31Å; V16-L24 PolarHBondContact N-O 3.09Å; V16-L24 PolarHBondContact O-N 3.1Å; V16-I26 HydrophobicContact CG2-CG1 4.44Å; V16-V78 HydrophobicContact CB-CG2 4.45Å; V16-V78 HydrophobicContact CG2-CG2 4Å; V16-M82 HydrophobicContact CG1-CE 4.46Å
17E98.1Very high88.9Confident112 Ų11273 Ų7352%0.52337%0.369SS..EExtended strand (participates in β ladder)trans-79.6129.4-176.8-173.2174.1-177.200111.6V23 K47E17-V23 HydrophobicContact CB-CG2 4.47Å; E17-V23 HydrophobicContact CG-CG2 4.4Å; E17-K47 PolarHBondContact O-NZ 2.96Å
18K97.9Very high91.1Very high7 Ų766.9 Ų66.93%0.0334%0.341CS..  trans-83.4160.1173.4-71-179.947.2176.90111.2D20 G21 S22 L24 E50 M82 S85K18-D20 WeakPolarHBondContact CB-OD1 3.47Å; K18-D20 IonicContact NZ-OD2 2.73Å; K18-D20 PolarHBondContact O-N 3.18Å; K18-G21 PolarHBondContact O-N 2.84Å; K18-S22 WeakPolarHBondContact CB-O 3.38Å; K18-S22 WeakPolarHBondContact CD-OG 3.43Å; K18-S22 WeakPolarHBondContact CE-OG 3.35Å; K18-S22 PolarHBondContact N-O 3.3Å; K18-L24 HydrophobicContact CD-CG 4.37Å; K18-E50 WeakPolarHBondContact CA-OE1 3.49Å; K18-E50 WeakPolarHBondContact CB-OE1 3.45Å; K18-M82 HydrophobicContact CD-SD 4.25Å; K18-M82 HydrophobicContact CG-CE 3.8Å; K18-M82 HydrophobicContact CG-SD 3.9Å; K18-S85 WeakPolarHBondContact CE-OG 3.33Å; K18-S85 PolarHBondContact NZ-OG 3.24Å
19N96.6Very high93Very high94 Ų9460 Ų6050%0.50331%0.311SS..THydrogen-bonded Turntrans-65.6-18.8180-75.6-6.1000113.7G21 K47 E50N19-G21 VanDerWaalsContact C-N 3.31Å; N19-K47 PolarHBondContact OD1-NZ 3.01Å; N19-E50 HydrophobicContact CB-CB 4.48Å; N19-E50 PolarHBondContact N-OE1 2.96Å; N19-E50 PolarHBondContact N-OE2 3.1Å; N19-E50 VanDerWaalsContact ND2-CB 3.33Å; N19-E50 WeakPolarHBondContact ND2-CB 3.47Å; N19-E50 PolarHBondContact ND2-O 3.49Å; N19-E50 VanDerWaalsContact ND2-O 3.1Å
20D95.3Very high93.9Very high99 Ų9959.7 Ų59.753%0.52930%0.303SS..THydrogen-bonded Turntrans-85.91.417466.210000113.8K18 S22K18-D20 WeakPolarHBondContact CB-OD1 3.47Å; K18-D20 IonicContact NZ-OD2 2.73Å; K18-D20 PolarHBondContact O-N 3.18Å; D20-S22 VanDerWaalsContact C-N 3.3Å; D20-S22 VanDerWaalsContact OD1-CB 3.27Å; D20-S22 WeakPolarHBondContact OD1-CB 3.48Å; D20-S22 PolarHBondContact OD1-N 2.86Å; D20-S22 PolarHBondContact OD1-OG 2.75Å; D20-S22 PolarHBondContact OD2-OG 2.87Å
21G97Very high93.6Very high45 Ų4565 Ų6546%0.46432%0.322SS..SBendtrans82.9-2.8-178.700000114.7K18 N19K18-G21 PolarHBondContact O-N 2.84Å; N19-G21 VanDerWaalsContact C-N 3.31Å
22S97.7Very high92.5Very high28 Ų2864.4 Ų64.420%0.19634%0.339CS..  trans-74.1159.1168.469.30000111K18 D20K18-S22 WeakPolarHBondContact CB-O 3.38Å; K18-S22 WeakPolarHBondContact CD-OG 3.43Å; K18-S22 WeakPolarHBondContact CE-OG 3.35Å; K18-S22 PolarHBondContact N-O 3.3Å; D20-S22 VanDerWaalsContact C-N 3.3Å; D20-S22 VanDerWaalsContact OD1-CB 3.27Å; D20-S22 WeakPolarHBondContact OD1-CB 3.48Å; D20-S22 PolarHBondContact OD1-N 2.86Å; D20-S22 PolarHBondContact OD1-OG 2.75Å; D20-S22 PolarHBondContact OD2-OG 2.87Å
23V98.5Very high91.4Very high46 Ų4666.3 Ų66.328%0.27935%0.353SS..EExtended strand (participates in β ladder)trans-129.7122-171.1-179.90000110.4D15 E17 L112D15-V23 HydrophobicContact CB-CG1 3.59Å; E17-V23 HydrophobicContact CB-CG2 4.47Å; E17-V23 HydrophobicContact CG-CG2 4.4Å; V23-L112 WeakPolarHBondContact O-CD1 3.44Å
24L98.5Very high90.3Very high0 Ų065.6 Ų65.60%035%0.348CS..EExtended strand (participates in β ladder)trans-75.3124.7167.6-67.5170.2000109.2D15 V16 K18 I26 L81 M82 N109 L112D15-L24 WeakPolarHBondContact CA-O 3.47Å; V16-L24 HydrophobicContact CB-CB 4.31Å; V16-L24 PolarHBondContact N-O 3.09Å; V16-L24 PolarHBondContact O-N 3.1Å; K18-L24 HydrophobicContact CD-CG 4.37Å; L24-I26 HydrophobicContact CB-CD1 4.12Å; L24-I26 HydrophobicContact CB-CG1 4.45Å; L24-L81 HydrophobicContact CD1-CB 4.42Å; L24-L81 HydrophobicContact CD2-CB 4.25Å; L24-M82 HydrophobicContact CD1-CB 4.12Å; L24-M82 HydrophobicContact CD1-CE 4.05Å; L24-M82 HydrophobicContact CD1-SD 4.37Å; L24-N109 VanDerWaalsContact CA-OD1 3.3Å; L24-N109 WeakPolarHBondContact CA-OD1 3.49Å; L24-N109 HydrophobicContact CD2-CB 4.11Å; L24-L112 HydrophobicContact CD2-CD1 3.89Å
25K98Very high88.6Confident113 Ų11361.7 Ų61.749%0.49134%0.339SS..EExtended strand (participates in β ladder)trans-100.6103.4178.5-62-167.2-179.7-147.50109.5T13 N109T13-K25 HydrophobicContact CG2-CB 4Å; K25-N109 PolarHBondContact N-OD1 3.46Å; K25-N109 PolarHBondContact O-ND2 2.82Å
26I98.1Very high87.9Confident0 Ų058 Ų580%032%0.32CS..EExtended strand (participates in β ladder)trans-103.1113.2-172.8-52-57.8000110.1T13 R14 V16 L24 V38 T76 V78 L81T13-I26 CarbonylContact C-O 3.56Å; T13-I26 VanDerWaalsContact CA-O 3.31Å; T13-I26 WeakPolarHBondContact CA-O 3.4Å; R14-I26 PolarHBondContact N-O 2.94Å; R14-I26 WeakPolarHBondContact O-CB 3.22Å; R14-I26 PolarHBondContact O-N 3.03Å; V16-I26 HydrophobicContact CG2-CG1 4.44Å; L24-I26 HydrophobicContact CB-CD1 4.12Å; L24-I26 HydrophobicContact CB-CG1 4.45Å; I26-V38 HydrophobicContact CB-CG2 4.05Å; I26-V38 HydrophobicContact CG2-CG2 3.52Å; I26-T76 VanDerWaalsContact CG2-CB 3.49Å; I26-T76 HydrophobicContact CG2-CG2 4.04Å; I26-V78 HydrophobicContact CD1-CB 4.08Å; I26-V78 HydrophobicContact CD1-CG2 3.99Å; I26-V78 HydrophobicContact CG1-CB 4.05Å; I26-V78 HydrophobicContact CG1-CG2 3.75Å; I26-L81 HydrophobicContact CD1-CD1 3.67Å
27K96.8Very high87.6Confident54 Ų5460 Ų6024%0.23533%0.332CS..EExtended strand (participates in β ladder)trans-68.2140168.9-57.1-62.8173.9-176.80110.2Y11 F12 T13 L101 V104 N105 D108Y11-K27 HydrophobicContact CD1-CB 4.19Å; Y11-K27 HydrophobicContact CG-CB 4.07Å; F12-K27 CarbonylContact O-C 3.5Å; F12-K27 WeakPolarHBondContact O-CA 3.31Å; T13-K27 WeakPolarHBondContact OG1-CD 3.48Å; T13-K27 PolarHBondContact OG1-NZ 3.38Å; K27-L101 HydrophobicContact CB-CD1 4.12Å; K27-L101 WeakPolarHBondContact O-CD1 3.49Å; K27-V104 HydrophobicContact CB-CG1 4.3Å; K27-V104 HydrophobicContact CG-CG1 3.72Å; K27-N105 WeakPolarHBondContact CA-OD1 3.02Å; K27-N105 WeakPolarHBondContact CB-OD1 3.29Å; K27-N105 WeakPolarHBondContact CG-OD1 3.4Å; K27-N105 PolarHBondContact N-OD1 2.83Å; K27-N105 PolarHBondContact O-ND2 3.26Å; K27-N105 VanDerWaalsContact O-ND2 3.12Å; K27-D108 WeakPolarHBondContact CE-OD2 3.31Å; K27-D108 IonicContact NZ-OD2 3.56Å
28Q93.6Very high87.4Confident11 Ų1155.1 Ų55.15%0.05131%0.31CS..EExtended strand (participates in β ladder)trans-134.1147.7176.2-66.1175.5104.100108.8Y11 F12 R14 C36 V37 V38 T76Y11-Q28 CarbonylContact C-O 3.48Å; Y11-Q28 WeakPolarHBondContact CA-O 3.43Å; F12-Q28 HydrophobicContact CD1-CB 4.07Å; F12-Q28 WeakPolarHBondContact CD1-O 3.39Å; F12-Q28 HydrophobicContact CD2-CB 4.19Å; F12-Q28 HydrophobicContact CE1-CB 3.67Å; F12-Q28 HydrophobicContact CE2-CB 3.84Å; F12-Q28 HydrophobicContact CE2-CG 4.36Å; F12-Q28 HydrophobicContact CG-CB 4.31Å; F12-Q28 HydrophobicContact CZ-CB 3.54Å; F12-Q28 HydrophobicContact CZ-CG 4.37Å; F12-Q28 PolarHBondContact N-O 2.97Å; F12-Q28 PolarHBondContact O-N 2.85Å; R14-Q28 VanDerWaalsContact CB-NE2 3.32Å; Q28-C36 WeakPolarHBondContact CA-O 3.33Å; Q28-C36 WeakPolarHBondContact CB-O 3.41Å; Q28-V37 VanDerWaalsContact OE1-CA 3.27Å; Q28-V38 HydrophobicContact CG-CG2 4.13Å; Q28-T76 HydrophobicContact CG-CG2 4.17Å
29C87.3Confident87.3Confident23 Ų2359.4 Ų59.416%0.15533%0.326CS..EExtended strand (participates in β ladder)trans-88.1135.4-176.4-52.20000111.8Y11 F12 K31 C36Y11-C29 WeakPolarHBondContact CE1-SG 3.43Å; F12-C29 WeakPolarHBondContact CE1-O 3.34Å; C29-K31 WeakPolarHBondContact CB-O 3.4Å; C29-K31 PolarHBondContact O-N 2.94Å; C29-C36 HydrophobicContact CB-CB 3.62Å; C29-C36 PolarHBondContact N-O 2.87Å; C29-C36 VanDerWaalsContact N-O 3.15Å; C29-C36 VanDerWaalsContact SG-SG 3.69Å
30F75.4Confident87.4Confident137 Ų13759.3 Ų59.360%0.60133%0.325SS*.SBendtrans-66.9-27.6170.4-71.3-73000113.3N10 Y11 F12N10-F30 WeakPolarHBondContact O-CD2 3.34Å; N10-F30 PolarHBondContact O-N 3.42Å; N10-F30 VanDerWaalsContact O-N 3.13Å; Y11-F30 VanDerWaalsContact C-CE2 3.45Å; Y11-F30 WeakPolarHBondContact O-CE2 3.39Å; F12-F30 HydrophobicContact CB-CE1 3.92Å; F12-F30 HydrophobicContact CB-CE2 4.16Å; F12-F30 HydrophobicContact CB-CZ 3.61Å; F12-F30 AromaticContact CD1-CD1 3.71Å; F12-F30 HydrophobicContact CD1-CD1 3.71Å; F12-F30 HydrophobicContact CD1-CD2 4.35Å; F12-F30 AromaticContact CD1-CE1 3.72Å; F12-F30 HydrophobicContact CD1-CE1 3.72Å; F12-F30 HydrophobicContact CD1-CE2 4.35Å; F12-F30 HydrophobicContact CD1-CG 4.04Å; F12-F30 HydrophobicContact CD1-CZ 4.07Å; F12-F30 HydrophobicContact CE1-CD1 4.25Å; F12-F30 HydrophobicContact CG-CE1 4.09Å; F12-F30 HydrophobicContact CG-CZ 4.24Å
31K70.8Confident87.5Confident195 Ų19554.6 Ų54.685%0.84830%0.3SS*.SBendtrans-132.2124.5176.6-65.6-175.9179.8179.10107.7C29C29-K31 WeakPolarHBondContact CB-O 3.4Å; C29-K31 PolarHBondContact O-N 2.94Å
32G63.8Low87.6Confident63 Ų6352.9 Ų52.965%0.64928%0.281SS*.SBendtrans170.4179.9-176.300000110.5
33D68.4Low87.6Confident111 Ų11152.1 Ų52.159%0.59428%0.275SS*.  trans-85.4178.4171.6-158.7-0.3000110.5G35 C36D33-G35 PolarHBondContact O-N 2.83Å; D33-C36 WeakPolarHBondContact O-CB 3.34Å; D33-C36 PolarHBondContact O-N 2.84Å
34V71.5Confident87.7Confident41 Ų4150.3 Ų50.325%0.24826%0.264CS..G310 helixtrans-50.9-25.5-179.4-67.10000114.9C36 W39 Y146 Y147V34-C36 PolarHBondContact O-N 3.03Å; V34-W39 HydrophobicContact CB-CZ2 3.84Å; V34-W39 HydrophobicContact CG1-CZ2 4.11Å; V34-W39 PolarHBondContact O-NE1 2.74Å; V34-Y146 HydrophobicContact CG2-CE2 3.87Å; V34-Y146 WeakPolarHBondContact CG2-OH 3.47Å; V34-Y147 HydrophobicContact CG2-CE2 4.45Å
35G61.9Low87.7Confident17 Ų1750.3 Ų50.318%0.17526%0.264CS..G310 helixtrans-70.3-9.3178.400000114.7D33 G75D33-G35 PolarHBondContact O-N 2.83Å; G35-G75 CarbonylContact O-C 3.58Å; G35-G75 VanDerWaalsContact O-C 3.28Å; G35-G75 WeakPolarHBondContact O-CA 3.32Å
36C82.6Confident87.7Confident15 Ų1545 Ų4510%0.10124%0.241CC..G310 helixtrans-93.25.4-173.6-600000114.9Q28 C29 D33 V34 L101Q28-C36 WeakPolarHBondContact CA-O 3.33Å; Q28-C36 WeakPolarHBondContact CB-O 3.41Å; C29-C36 HydrophobicContact CB-CB 3.62Å; C29-C36 PolarHBondContact N-O 2.87Å; C29-C36 VanDerWaalsContact N-O 3.15Å; C29-C36 VanDerWaalsContact SG-SG 3.69Å; D33-C36 WeakPolarHBondContact O-CB 3.34Å; D33-C36 PolarHBondContact O-N 2.84Å; V34-C36 PolarHBondContact O-N 3.03Å; C36-L101 HydrophobicContact CB-CD2 4.32Å
37V91.4Very high87.7Confident50 Ų5045.3 Ų45.330%0.30324%0.242SC..SBendtrans-122.8156.4179.5-60.60000111.9F12 Q28 W39F12-V37 HydrophobicContact CZ-CG1 4.49Å; Q28-V37 VanDerWaalsContact OE1-CA 3.27Å; V37-W39 HydrophobicContact CG2-CD2 4.33Å; V37-W39 HydrophobicContact CG2-CZ2 3.94Å; V37-W39 PolarHBondContact O-N 3.3Å
38V94.1Very high87.8Confident9 Ų943.2 Ų43.26%0.05523%0.233CC..  trans-83.7106.6172.3177.30000108.2R14 I26 Q28 I43 T76 V78R14-V38 HydrophobicContact CB-CG2 4.18Å; R14-V38 HydrophobicContact CG-CB 4.31Å; R14-V38 HydrophobicContact CG-CG1 4.48Å; R14-V38 HydrophobicContact CG-CG2 4.29Å; I26-V38 HydrophobicContact CB-CG2 4.05Å; I26-V38 HydrophobicContact CG2-CG2 3.52Å; Q28-V38 HydrophobicContact CG-CG2 4.13Å; V38-I43 HydrophobicContact CG1-CD1 3.98Å; V38-I43 HydrophobicContact CG1-CG1 3.64Å; V38-T76 HydrophobicContact CG2-CG2 4.08Å; V38-V78 HydrophobicContact CG1-CG1 4.23Å
39W96.5Very high88.1Confident97 Ų9742.7 Ų42.737%0.36723%0.231SC..  trans-75.6150.9175.9-66.790.6000111.6V34 V37 A41 A42 I43 D143V34-W39 HydrophobicContact CB-CZ2 3.84Å; V34-W39 HydrophobicContact CG1-CZ2 4.11Å; V34-W39 PolarHBondContact O-NE1 2.74Å; V37-W39 HydrophobicContact CG2-CD2 4.33Å; V37-W39 HydrophobicContact CG2-CZ2 3.94Å; V37-W39 PolarHBondContact O-N 3.3Å; W39-A41 VanDerWaalsContact C-N 3.27Å; W39-A41 PolarHBondContact O-N 3.19Å; W39-A42 WeakPolarHBondContact O-CA 3.45Å; W39-A42 VanDerWaalsContact O-CB 3.27Å; W39-A42 WeakPolarHBondContact O-CB 3.44Å; W39-A42 PolarHBondContact O-N 2.96Å; W39-I43 PolarHBondContact O-N 3.15Å; W39-D143 HydrophobicContact CB-CB 4.39Å
40D97.8Very high88.6Confident91 Ų9141.8 Ų41.849%0.48722%0.224SC..Hα-helixtrans-61.9-35.6-178.2-70.4-22.1000112.2A42 I43 V44 I214D40-A42 PolarHBondContact O-N 2.93Å; D40-I43 WeakPolarHBondContact O-CB 3.15Å; D40-I43 PolarHBondContact O-N 2.9Å; D40-I43 VanDerWaalsContact O-N 3.09Å; D40-V44 WeakPolarHBondContact O-CG2 3.48Å; D40-V44 PolarHBondContact O-N 3.31Å; D40-I214 HydrophobicContact CB-CD1 3.77Å
41A98.3Very high89.7Confident0 Ų036 Ų360%020%0.2CC..Hα-helixtrans-61.2-31.3173.300000112.9W39 L45 D143 C171 I214W39-A41 VanDerWaalsContact C-N 3.27Å; W39-A41 PolarHBondContact O-N 3.19Å; A41-L45 VanDerWaalsContact O-CB 3.26Å; A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.45Å; A41-D143 HydrophobicContact CB-CB 4.04Å; A41-C171 PolarHBondContact O-SG 2.89Å; A41-I214 HydrophobicContact CB-CG2 4.13Å
42A98.6Very high90.9Very high9 Ų934.2 Ų34.27%0.07419%0.192CC..Hα-helixtrans-70.3-38.7174.300000111.2W39 D40 L45 S46 V78 V79 A142W39-A42 WeakPolarHBondContact O-CA 3.45Å; W39-A42 VanDerWaalsContact O-CB 3.27Å; W39-A42 WeakPolarHBondContact O-CB 3.44Å; W39-A42 PolarHBondContact O-N 2.96Å; D40-A42 PolarHBondContact O-N 2.93Å; A42-L45 PolarHBondContact O-N 3.39Å; A42-S46 WeakPolarHBondContact O-CB 3.27Å; A42-S46 PolarHBondContact O-N 3.08Å; A42-S46 PolarHBondContact O-OG 3.17Å; A42-S46 VanDerWaalsContact O-OG 3.07Å; A42-V78 HydrophobicContact CB-CG1 3.66Å; A42-V79 HydrophobicContact CB-CG2 3.87Å; A42-A142 HydrophobicContact CB-CB 3.87Å
43I98.6Very high92.5Very high12 Ų1236.3 Ų36.36%0.06219%0.194CC..Hα-helixtrans-64.4-50.7174.5-61.2168.4000110.2V38 W39 D40 L45 S46 K47 Y209V38-I43 HydrophobicContact CG1-CD1 3.98Å; V38-I43 HydrophobicContact CG1-CG1 3.64Å; W39-I43 PolarHBondContact O-N 3.15Å; D40-I43 WeakPolarHBondContact O-CB 3.15Å; D40-I43 PolarHBondContact O-N 2.9Å; D40-I43 VanDerWaalsContact O-N 3.09Å; I43-L45 VanDerWaalsContact C-N 3.29Å; I43-L45 PolarHBondContact O-N 3.31Å; I43-S46 PolarHBondContact O-N 3.18Å; I43-K47 HydrophobicContact CG2-CG 4.41Å; I43-K47 WeakPolarHBondContact O-CG 3.31Å; I43-K47 PolarHBondContact O-N 2.79Å; I43-Y209 HydrophobicContact CG2-CD1 3.69Å; I43-Y209 HydrophobicContact CG2-CE1 4.24Å; I43-Y209 HydrophobicContact CG2-CG 4.47Å
44V98.8Very high93.9Very high9 Ų931.7 Ų31.76%0.05517%0.17CC..Hα-helixtrans-56.5-44.7177.8169.60000110.7D40 K47 Y48 I214 I216D40-V44 WeakPolarHBondContact O-CG2 3.48Å; D40-V44 PolarHBondContact O-N 3.31Å; V44-K47 PolarHBondContact O-N 3.3Å; V44-Y48 WeakPolarHBondContact O-CB 3.21Å; V44-Y48 PolarHBondContact O-N 3.05Å; V44-I214 HydrophobicContact CB-CG2 3.93Å; V44-I214 HydrophobicContact CG1-CG2 3.8Å; V44-I214 HydrophobicContact CG2-CB 4.41Å; V44-I214 HydrophobicContact CG2-CD1 3.76Å; V44-I214 HydrophobicContact CG2-CG2 4.02Å; V44-I216 HydrophobicContact CG1-CD1 3.9Å; V44-I216 HydrophobicContact CG1-CG1 4.22Å
45L98.9Very high95.1Very high0 Ų031.9 Ų31.90%017%0.166CC..Hα-helixtrans-66.2-46.1177.8-174.951.7000111.9A41 A42 I43 K47 Y48 L49 V79 A142 I169 C171A41-L45 VanDerWaalsContact O-CB 3.26Å; A41-L45 WeakPolarHBondContact O-CB 3.39Å; A41-L45 PolarHBondContact O-N 3.45Å; A42-L45 PolarHBondContact O-N 3.39Å; I43-L45 VanDerWaalsContact C-N 3.29Å; I43-L45 PolarHBondContact O-N 3.31Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 2.86Å; L45-Y48 HydrophobicContact CD1-CD1 4.09Å; L45-Y48 WeakPolarHBondContact O-CB 3.27Å; L45-Y48 PolarHBondContact O-N 2.57Å; L45-Y48 VanDerWaalsContact O-N 3.17Å; L45-L49 HydrophobicContact CD1-CD2 4.43Å; L45-L49 WeakPolarHBondContact O-CG 3.33Å; L45-L49 PolarHBondContact O-N 3.34Å; L45-L49 VanDerWaalsContact O-N 3.08Å; L45-V79 HydrophobicContact CB-CG1 4.42Å; L45-V79 HydrophobicContact CB-CG2 4.32Å; L45-V79 HydrophobicContact CD2-CG1 3.74Å; L45-V79 HydrophobicContact CD2-CG2 4.33Å; L45-V79 HydrophobicContact CG-CG1 3.74Å; L45-V79 HydrophobicContact CG-CG2 4.44Å; L45-A142 HydrophobicContact CD2-CB 4.23Å; L45-I169 HydrophobicContact CD1-CB 4.5Å; L45-I169 HydrophobicContact CD1-CG2 3.55Å; L45-C171 HydrophobicContact CB-CB 3.67Å; L45-C171 HydrophobicContact CD1-CB 4.17Å; L45-C171 HydrophobicContact CD2-CB 3.84Å; L45-C171 HydrophobicContact CG-CB 4.09Å
46S98.8Very high96.8Very high0 Ų032.9 Ų32.90%017%0.168CC..Hα-helixtrans-56.1-44.9176.7-71.70000111.7A42 I43 L49 V78 V79 M82A42-S46 WeakPolarHBondContact O-CB 3.27Å; A42-S46 PolarHBondContact O-N 3.08Å; A42-S46 PolarHBondContact O-OG 3.17Å; A42-S46 VanDerWaalsContact O-OG 3.07Å; I43-S46 PolarHBondContact O-N 3.18Å; S46-L49 PolarHBondContact O-N 2.93Å; S46-V78 PolarHBondContact OG-O 3.11Å; S46-V79 WeakPolarHBondContact OG-CA 3.45Å; S46-M82 WeakPolarHBondContact O-CG 3.32Å
47K98.7Very high97.3Very high7 Ų736 Ų363%0.0319%0.188CC..Hα-helixtrans-72-32.7178.8-62.1-56.6-58.7174.90112.5E17 N19 I43 V44 L45 L49 E50 T51 D206 Y209E17-K47 PolarHBondContact O-NZ 2.96Å; N19-K47 PolarHBondContact OD1-NZ 3.01Å; I43-K47 HydrophobicContact CG2-CG 4.41Å; I43-K47 WeakPolarHBondContact O-CG 3.31Å; I43-K47 PolarHBondContact O-N 2.79Å; V44-K47 PolarHBondContact O-N 3.3Å; L45-K47 VanDerWaalsContact C-N 3.3Å; L45-K47 PolarHBondContact O-N 2.86Å; K47-L49 VanDerWaalsContact C-N 3.3Å; K47-L49 PolarHBondContact O-N 3.05Å; K47-E50 IonicContact NZ-OE2 3.31Å; K47-E50 PolarHBondContact NZ-OE2 3Å; K47-E50 PolarHBondContact O-N 2.79Å; K47-E50 VanDerWaalsContact O-N 3.11Å; K47-T51 PolarHBondContact O-N 3.06Å; K47-D206 HydrophobicContact CB-CB 3.87Å; K47-Y209 HydrophobicContact CB-CD2 4.27Å; K47-Y209 HydrophobicContact CB-CG 4.18Å; K47-Y209 HydrophobicContact CD-CD2 4.18Å; K47-Y209 HydrophobicContact CD-CE2 4.46Å; K47-Y209 HydrophobicContact CD-CG 4.48Å; K47-Y209 HydrophobicContact CG-CD1 4.21Å; K47-Y209 HydrophobicContact CG-CD2 3.73Å; K47-Y209 HydrophobicContact CG-CE2 4.42Å; K47-Y209 HydrophobicContact CG-CG 3.62Å
48Y98.8Very high97.4Very high11 Ų1139.8 Ų39.84%0.04322%0.215CC..Hα-helixtrans-57.9-41.4170.6175.7-113.4000112.1V44 L45 E50 T51 L54 I169 I200 I216 H218V44-Y48 WeakPolarHBondContact O-CB 3.21Å; V44-Y48 PolarHBondContact O-N 3.05Å; L45-Y48 HydrophobicContact CD1-CD1 4.09Å; L45-Y48 WeakPolarHBondContact O-CB 3.27Å; L45-Y48 PolarHBondContact O-N 2.57Å; L45-Y48 VanDerWaalsContact O-N 3.17Å; Y48-E50 PolarHBondContact O-N 2.91Å; Y48-T51 HydrophobicContact CD2-CG2 4.2Å; Y48-T51 WeakPolarHBondContact O-CB 3.27Å; Y48-T51 VanDerWaalsContact O-CG2 3.32Å; Y48-T51 WeakPolarHBondContact O-CG2 3.47Å; Y48-T51 PolarHBondContact O-N 3.15Å; Y48-T51 PolarHBondContact O-OG1 3.31Å; Y48-L54 HydrophobicContact CD1-CD1 4.16Å; Y48-L54 HydrophobicContact CD2-CD1 4.41Å; Y48-L54 HydrophobicContact CE1-CD1 3.8Å; Y48-L54 HydrophobicContact CE2-CD1 4.04Å; Y48-L54 HydrophobicContact CG-CD1 4.47Å; Y48-L54 WeakPolarHBondContact O-CD1 3.39Å; Y48-I169 HydrophobicContact CD1-CG2 4.32Å; Y48-I169 HydrophobicContact CE1-CG2 4.07Å; Y48-I200 HydrophobicContact CE2-CG2 3.86Å; Y48-I216 HydrophobicContact CD1-CD1 4.06Å; Y48-I216 HydrophobicContact CD1-CG2 4.11Å; Y48-I216 HydrophobicContact CD2-CD1 3.94Å; Y48-I216 HydrophobicContact CE1-CG2 4Å; Y48-I216 HydrophobicContact CG-CD1 3.59Å; Y48-H218 AromaticContact CE1-NE2 3.65Å; Y48-H218 AromaticContact CZ-NE2 3.71Å; Y48-H218 PolarHBondContact OH-CE1 3.17Å; Y48-H218 PolarHBondContact OH-NE2 2.86Å
49L98.7Very high97.4Very high0 Ų042.9 Ų42.90%024%0.237CC..Hα-helixtrans-60.5-26.2177.7-57.2-176.9000113.1L45 S46 K47 W64 V79 M82 A83 L86 L140 I169L45-L49 HydrophobicContact CD1-CD2 4.43Å; L45-L49 WeakPolarHBondContact O-CG 3.33Å; L45-L49 PolarHBondContact O-N 3.34Å; L45-L49 VanDerWaalsContact O-N 3.08Å; S46-L49 PolarHBondContact O-N 2.93Å; K47-L49 VanDerWaalsContact C-N 3.3Å; K47-L49 PolarHBondContact O-N 3.05Å; L49-W64 HydrophobicContact CB-CZ2 4.02Å; L49-W64 HydrophobicContact CD2-CH2 3.56Å; L49-W64 HydrophobicContact CD2-CZ2 3.43Å; L49-W64 VanDerWaalsContact CD2-CZ2 3.43Å; L49-W64 HydrophobicContact CD2-CZ3 4.31Å; L49-W64 HydrophobicContact CG-CZ2 4.29Å; L49-W64 PolarHBondContact O-NE1 3.36Å; L49-V79 HydrophobicContact CD1-CG1 4.06Å; L49-M82 HydrophobicContact CB-CG 4.47Å; L49-M82 HydrophobicContact CD1-CG 4.32Å; L49-A83 HydrophobicContact CD1-CB 3.9Å; L49-L86 HydrophobicContact CB-CD1 3.9Å; L49-L140 HydrophobicContact CD1-CD1 4.13Å; L49-I169 HydrophobicContact CD2-CD1 4.43Å
50E98.1Very high97.4Very high3 Ų341.4 Ų41.41%0.01425%0.252CS..THydrogen-bonded Turntrans-91.82.7178.8-60.2-169.797.900114K18 N19 K47 Y48 M82 L86K18-E50 WeakPolarHBondContact CA-OE1 3.49Å; K18-E50 WeakPolarHBondContact CB-OE1 3.45Å; N19-E50 HydrophobicContact CB-CB 4.48Å; N19-E50 PolarHBondContact N-OE1 2.96Å; N19-E50 PolarHBondContact N-OE2 3.1Å; N19-E50 VanDerWaalsContact ND2-CB 3.33Å; N19-E50 WeakPolarHBondContact ND2-CB 3.47Å; N19-E50 PolarHBondContact ND2-O 3.49Å; N19-E50 VanDerWaalsContact ND2-O 3.1Å; K47-E50 IonicContact NZ-OE2 3.31Å; K47-E50 PolarHBondContact NZ-OE2 3Å; K47-E50 PolarHBondContact O-N 2.79Å; K47-E50 VanDerWaalsContact O-N 3.11Å; Y48-E50 PolarHBondContact O-N 2.91Å; E50-M82 VanDerWaalsContact CD-SD 3.56Å; E50-M82 HydrophobicContact CG-CE 4.19Å; E50-M82 HydrophobicContact CG-CG 4.42Å; E50-M82 HydrophobicContact CG-SD 3.68Å; E50-M82 WeakPolarHBondContact OE2-CE 3.28Å; E50-L86 HydrophobicContact CG-CD1 4Å; E50-L86 HydrophobicContact CG-CD2 4.19Å
51T98.3Very high97.3Very high15 Ų1539.6 Ų39.69%0.09224%0.244CC..SBendtrans-63.3142.217857.20000110.8K47 Y48 P53 L54 Y55 D206K47-T51 PolarHBondContact O-N 3.06Å; Y48-T51 HydrophobicContact CD2-CG2 4.2Å; Y48-T51 WeakPolarHBondContact O-CB 3.27Å; Y48-T51 VanDerWaalsContact O-CG2 3.32Å; Y48-T51 WeakPolarHBondContact O-CG2 3.47Å; Y48-T51 PolarHBondContact O-N 3.15Å; Y48-T51 PolarHBondContact O-OG1 3.31Å; T51-P53 VanDerWaalsContact C-N 3.31Å; T51-P53 VanDerWaalsContact O-N 3.09Å; T51-L54 WeakPolarHBondContact O-CA 3.46Å; T51-L54 PolarHBondContact O-N 3.49Å; T51-L54 WeakPolarHBondContact OG1-CD1 3.22Å; T51-Y55 PolarHBondContact O-N 2.85Å; T51-D206 HydrophobicContact CG2-CB 4.48Å
52K96.7Very high97.3Very high158 Ų15842.2 Ų42.269%0.68726%0.258SS*.THydrogen-bonded Turntrans-48.9-39.5-174.9-67.6-173.2175.7-175.40115.6L54 Y55K52-L54 PolarHBondContact O-N 3.18Å; K52-Y55 WeakPolarHBondContact CA-O 3.26Å
53P96.6Very high97.3Very high107 Ų10744.8 Ų44.870%0.69527%0.269SS*.THydrogen-bonded Turntrans-64.3-24.7177.5-23.335.9000114T51T51-P53 VanDerWaalsContact C-N 3.31Å; T51-P53 VanDerWaalsContact O-N 3.09Å
54L97.8Very high97.2Very high15 Ų1544.2 Ų44.28%0.07927%0.266CS..THydrogen-bonded Turntrans-99.9-35-178.5-50.9179.3000111.4Y48 T51 K52 M63 W64Y48-L54 HydrophobicContact CD1-CD1 4.16Å; Y48-L54 HydrophobicContact CD2-CD1 4.41Å; Y48-L54 HydrophobicContact CE1-CD1 3.8Å; Y48-L54 HydrophobicContact CE2-CD1 4.04Å; Y48-L54 HydrophobicContact CG-CD1 4.47Å; Y48-L54 WeakPolarHBondContact O-CD1 3.39Å; T51-L54 WeakPolarHBondContact O-CA 3.46Å; T51-L54 PolarHBondContact O-N 3.49Å; T51-L54 WeakPolarHBondContact OG1-CD1 3.22Å; K52-L54 PolarHBondContact O-N 3.18Å; L54-M63 HydrophobicContact CB-CB 4.44Å; L54-M63 HydrophobicContact CD2-SD 3.44Å; L54-M63 WeakPolarHBondContact CD2-SD 3.41Å; L54-M63 VanDerWaalsContact O-CB 3.22Å; L54-M63 WeakPolarHBondContact O-CB 3.44Å; L54-M63 PolarHBondContact O-N 3.18Å; L54-W64 HydrophobicContact CB-CZ2 3.8Å; L54-W64 HydrophobicContact CD1-CH2 4.28Å; L54-W64 HydrophobicContact CD1-CZ2 3.72Å; L54-W64 HydrophobicContact CG-CZ2 4.24Å
55Y97.9Very high97.1Very high45 Ų4545.9 Ų45.918%0.17628%0.281CS..EExtended strand (participates in β ladder)trans-147.5111.5-177.8-173.9-98.6000111.4T51 K52 P57 N62 L86T51-Y55 PolarHBondContact O-N 2.85Å; K52-Y55 WeakPolarHBondContact CA-O 3.26Å; Y55-P57 HydrophobicContact CD1-CG 4.15Å; Y55-P57 VanDerWaalsContact CE1-CD 3.5Å; Y55-P57 HydrophobicContact CE1-CG 3.41Å; Y55-P57 VanDerWaalsContact CE1-CG 3.41Å; Y55-P57 HydrophobicContact CE2-CG 4.07Å; Y55-P57 WeakPolarHBondContact OH-CG 3.24Å; Y55-N62 HydrophobicContact CD2-CB 4.19Å; Y55-N62 HydrophobicContact CE2-CB 4.42Å; Y55-L86 HydrophobicContact CD1-CD2 3.85Å; Y55-L86 HydrophobicContact CD2-CB 4.24Å; Y55-L86 HydrophobicContact CD2-CD2 3.98Å; Y55-L86 HydrophobicContact CE1-CD2 3.66Å; Y55-L86 HydrophobicContact CE2-CB 4.17Å; Y55-L86 HydrophobicContact CE2-CD2 3.79Å; Y55-L86 HydrophobicContact CG-CD2 4Å
56D97Very high96.9Very high37 Ų3749.9 Ų49.920%0.19831%0.309CS..EExtended strand (participates in β ladder)trans-147.491.6171.9177.213000109.7C58 S59 G60 V61D56-C58 PolarHBondContact O-N 3.03Å; D56-C58 WeakPolarHBondContact OD1-CB 3.29Å; D56-C58 PolarHBondContact OD1-N 2.87Å; D56-C58 VanDerWaalsContact OD1-N 3.11Å; D56-S59 WeakPolarHBondContact CB-OG 3.27Å; D56-S59 PolarHBondContact O-N 2.79Å; D56-S59 VanDerWaalsContact O-N 3.12Å; D56-S59 PolarHBondContact O-OG 2.86Å; D56-S59 VanDerWaalsContact OD2-CB 3.31Å; D56-S59 WeakPolarHBondContact OD2-CB 3.22Å; D56-S59 PolarHBondContact OD2-OG 3.11Å; D56-G60 PolarHBondContact O-N 2.91Å; D56-V61 CarbonylContact C-O 3.53Å; D56-V61 HydrophobicContact CB-CB 4.19Å; D56-V61 PolarHBondContact N-O 2.85Å; D56-V61 PolarHBondContact O-N 2.85Å
57P92.3Very high96.9Very high81 Ų8153.4 Ų53.453%0.52633%0.325SS..THydrogen-bonded Turntrans-58.2-28.5178.5-27.136.2000113.6Y55 S59 G60Y55-P57 HydrophobicContact CD1-CG 4.15Å; Y55-P57 VanDerWaalsContact CE1-CD 3.5Å; Y55-P57 HydrophobicContact CE1-CG 3.41Å; Y55-P57 VanDerWaalsContact CE1-CG 3.41Å; Y55-P57 HydrophobicContact CE2-CG 4.07Å; Y55-P57 WeakPolarHBondContact OH-CG 3.24Å; P57-S59 VanDerWaalsContact C-N 3.3Å; P57-S59 PolarHBondContact O-N 3.03Å; P57-G60 PolarHBondContact O-N 3.16Å
58C93.9Very high96.9Very high129 Ų12955.2 Ų55.287%0.87234%0.335SS*.THydrogen-bonded Turntrans-68.7-30.4179.7-64.30000112.3D56D56-C58 PolarHBondContact O-N 3.03Å; D56-C58 WeakPolarHBondContact OD1-CB 3.29Å; D56-C58 PolarHBondContact OD1-N 2.87Å; D56-C58 VanDerWaalsContact OD1-N 3.11Å
59S95.2Very high96.9Very high74 Ų7454.7 Ų54.752%0.51733%0.333SS..THydrogen-bonded Turntrans-101.63.2174.4640000113.7D56 P57 V61D56-S59 WeakPolarHBondContact CB-OG 3.27Å; D56-S59 PolarHBondContact O-N 2.79Å; D56-S59 VanDerWaalsContact O-N 3.12Å; D56-S59 PolarHBondContact O-OG 2.86Å; D56-S59 VanDerWaalsContact OD2-CB 3.31Å; D56-S59 WeakPolarHBondContact OD2-CB 3.22Å; D56-S59 PolarHBondContact OD2-OG 3.11Å; P57-S59 VanDerWaalsContact C-N 3.3Å; P57-S59 PolarHBondContact O-N 3.03Å; S59-V61 VanDerWaalsContact C-N 3.31Å; S59-V61 WeakPolarHBondContact OG-CG2 3.45Å
60G95.2Very high96.9Very high67 Ų6754.9 Ų54.969%0.69133%0.333SS*.THydrogen-bonded Turntrans76.413.5-179.500000114.3D56 P57D56-G60 PolarHBondContact O-N 2.91Å; P57-G60 PolarHBondContact O-N 3.16Å
61V97.2Very high97Very high52 Ų5254.8 Ų54.832%0.31533%0.333SS..EExtended strand (participates in β ladder)trans-82.4120.4177.5176.30000109.2D56 S59D56-V61 CarbonylContact C-O 3.53Å; D56-V61 HydrophobicContact CB-CB 4.19Å; D56-V61 PolarHBondContact N-O 2.85Å; D56-V61 PolarHBondContact O-N 2.85Å; S59-V61 VanDerWaalsContact C-N 3.31Å; S59-V61 WeakPolarHBondContact OG-CG2 3.45Å
62N97.3Very high97Very high55 Ų5554.1 Ų54.129%0.29433%0.329SS..EExtended strand (participates in β ladder)trans-147.599.3167.4-174.9-11.7000109.8Y55 W64 A65 L86Y55-N62 HydrophobicContact CD2-CB 4.19Å; Y55-N62 HydrophobicContact CE2-CB 4.42Å; N62-W64 PolarHBondContact O-N 3.42Å; N62-W64 PolarHBondContact OD1-N 3.41Å; N62-A65 HydrophobicContact CB-CB 4.19Å; N62-A65 PolarHBondContact OD1-N 3.46Å; N62-L86 PolarHBondContact ND2-O 2.94Å; N62-L86 PolarHBondContact OD1-O 3.34Å
63M97.8Very high97.1Very high63 Ų6347.5 Ų47.531%0.3131%0.305SS..SBendtrans-66.7-25.7178.9-178.8155.617400113L54 K67 F138L54-M63 HydrophobicContact CB-CB 4.44Å; L54-M63 HydrophobicContact CD2-SD 3.44Å; L54-M63 WeakPolarHBondContact CD2-SD 3.41Å; L54-M63 VanDerWaalsContact O-CB 3.22Å; L54-M63 WeakPolarHBondContact O-CB 3.44Å; L54-M63 PolarHBondContact O-N 3.18Å; M63-K67 WeakPolarHBondContact O-CE 3.36Å; M63-K67 WeakPolarHBondContact O-CG 3.41Å; M63-F138 HydrophobicContact CE-CE1 3.53Å; M63-F138 HydrophobicContact CE-CE2 4.4Å; M63-F138 HydrophobicContact CE-CZ 3.29Å; M63-F138 HydrophobicContact CG-CZ 4.39Å
64W98.2Very high97.2Very high0 Ų042.7 Ų42.70%028%0.275CS..SBendtrans-91.6-19.6-170.2-45.6120000113.4L49 L54 N62 S66 K67 I69 L86 A88 F138 I169L49-W64 HydrophobicContact CB-CZ2 4.02Å; L49-W64 HydrophobicContact CD2-CH2 3.56Å; L49-W64 HydrophobicContact CD2-CZ2 3.43Å; L49-W64 VanDerWaalsContact CD2-CZ2 3.43Å; L49-W64 HydrophobicContact CD2-CZ3 4.31Å; L49-W64 HydrophobicContact CG-CZ2 4.29Å; L49-W64 PolarHBondContact O-NE1 3.36Å; L54-W64 HydrophobicContact CB-CZ2 3.8Å; L54-W64 HydrophobicContact CD1-CH2 4.28Å; L54-W64 HydrophobicContact CD1-CZ2 3.72Å; L54-W64 HydrophobicContact CG-CZ2 4.24Å; N62-W64 PolarHBondContact O-N 3.42Å; N62-W64 PolarHBondContact OD1-N 3.41Å; W64-S66 PolarHBondContact O-N 3.17Å; W64-S66 VanDerWaalsContact O-N 3.1Å; W64-K67 WeakPolarHBondContact O-CB 3.36Å; W64-K67 PolarHBondContact O-N 2.92Å; W64-I69 HydrophobicContact CE3-CD1 3.99Å; W64-L86 HydrophobicContact CB-CB 4.23Å; W64-L86 HydrophobicContact CG-CB 4.25Å; W64-A88 HydrophobicContact CB-CB 4.31Å; W64-A88 VanDerWaalsContact O-CA 3.31Å; W64-A88 WeakPolarHBondContact O-CA 3.45Å; W64-A88 PolarHBondContact O-N 3.47Å; W64-F138 HydrophobicContact CE3-CD2 4.41Å; W64-F138 HydrophobicContact CE3-CE2 4.41Å; W64-F138 HydrophobicContact CZ3-CD1 4.27Å; W64-F138 HydrophobicContact CZ3-CD2 4.15Å; W64-F138 HydrophobicContact CZ3-CE1 4.28Å; W64-F138 HydrophobicContact CZ3-CE2 4.15Å; W64-F138 HydrophobicContact CZ3-CG 4.23Å; W64-F138 HydrophobicContact CZ3-CZ 4.24Å; W64-I169 HydrophobicContact CH2-CD1 3.78Å; W64-I169 HydrophobicContact CZ3-CD1 4.19Å
65A96.9Very high97.1Very high44 Ų4442.3 Ų42.336%0.36428%0.275SS..THydrogen-bonded Turntrans-49118.4-178.700000111.8N62 K67N62-A65 HydrophobicContact CB-CB 4.19Å; N62-A65 PolarHBondContact OD1-N 3.46Å; A65-K67 PolarHBondContact O-N 2.88Å
66S94.5Very high97.2Very high85 Ų8540.3 Ų40.359%0.59427%0.267SS*.THydrogen-bonded Turntrans59.713.6178.6-49.50000115.2W64 G87 Q89W64-S66 PolarHBondContact O-N 3.17Å; W64-S66 VanDerWaalsContact O-N 3.1Å; S66-G87 PolarHBondContact N-O 2.92Å; S66-Q89 PolarHBondContact O-NE2 2.88Å; S66-Q89 VanDerWaalsContact O-NE2 3.15Å
67K98.4Very high97.2Very high74 Ų7438.7 Ų38.732%0.32226%0.259SS..  trans-76.4127174.7-61.5-60.8-179.8-178.10110.2M63 W64 A65 I69 Q89 H137 F138M63-K67 WeakPolarHBondContact O-CE 3.36Å; M63-K67 WeakPolarHBondContact O-CG 3.41Å; W64-K67 WeakPolarHBondContact O-CB 3.36Å; W64-K67 PolarHBondContact O-N 2.92Å; A65-K67 PolarHBondContact O-N 2.88Å; K67-I69 HydrophobicContact CB-CG1 4.2Å; K67-I69 PolarHBondContact O-N 3.03Å; K67-Q89 PolarHBondContact O-N 3.07Å; K67-H137 HydrophobicContact CB-CB 4.37Å; K67-H137 HydrophobicContact CD-CB 4.14Å; K67-F138 HydrophobicContact CB-CD2 4.24Å; K67-F138 HydrophobicContact CB-CE2 4.33Å; K67-F138 HydrophobicContact CD-CE2 4.22Å; K67-F138 HydrophobicContact CG-CD2 4.42Å; K67-F138 HydrophobicContact CG-CE2 4Å
68N98.6Very high97.5Very high45 Ų4534.9 Ų34.924%0.24123%0.234CC..EExtended strand (participates in β ladder)trans-66119162.3-176.46.4000109.9Q89 H137 F138N68-Q89 CarbonylContact C-O 3.28Å; N68-Q89 WeakPolarHBondContact CA-O 3.4Å; N68-H137 PolarHBondContact N-ND1 2.8Å; N68-H137 WeakPolarHBondContact O-CB 3.44Å; N68-H137 PolarHBondContact O-N 3.13Å; N68-F138 PolarHBondContact O-N 3.49Å
69I98.9Very high97.8Very high0 Ų028.7 Ų28.70%019%0.193CC..EExtended strand (participates in β ladder)trans-125.2134.1-179.1-60.8-169000109.4W64 K67 A83 A88 Q89 V90 T91 F138 L140W64-I69 HydrophobicContact CE3-CD1 3.99Å; K67-I69 HydrophobicContact CB-CG1 4.2Å; K67-I69 PolarHBondContact O-N 3.03Å; I69-A83 HydrophobicContact CD1-CB 4.1Å; I69-A88 HydrophobicContact CD1-CB 3.51Å; I69-A88 HydrophobicContact CG1-CB 3.94Å; I69-Q89 PolarHBondContact N-O 3Å; I69-V90 HydrophobicContact CB-CG2 4.27Å; I69-V90 CarbonylContact O-C 3.59Å; I69-V90 WeakPolarHBondContact O-CA 3.49Å; I69-T91 PolarHBondContact O-N 3.35Å; I69-F138 WeakPolarHBondContact CA-O 3.38Å; I69-F138 HydrophobicContact CD1-CB 4.35Å; I69-F138 HydrophobicContact CD1-CD2 4.34Å; I69-F138 HydrophobicContact CG1-CB 4.07Å; I69-F138 HydrophobicContact CG1-CD2 4.26Å; I69-F138 HydrophobicContact CG2-CB 4.41Å; I69-L140 HydrophobicContact CG2-CD1 3.6Å; I69-L140 HydrophobicContact CG2-CG 3.63Å
70L98.9Very high97.9Very high3 Ų325.2 Ų25.22%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-113.2122.8172.2-177.568.3000109.4L72 T91 T93 F132 P136 F138 I139 L140 L161L70-L72 HydrophobicContact CD2-CD2 4.1Å; L70-L72 HydrophobicContact CG-CD2 4.24Å; L70-T91 WeakPolarHBondContact CA-O 3.4Å; L70-T91 HydrophobicContact CD1-CG2 3.9Å; L70-T93 HydrophobicContact CD1-CG2 3.58Å; L70-F132 HydrophobicContact CD1-CD1 3.56Å; L70-F132 HydrophobicContact CD1-CE1 4.07Å; L70-F132 HydrophobicContact CD1-CG 4.18Å; L70-F132 HydrophobicContact CD2-CB 4.04Å; L70-F132 HydrophobicContact CD2-CD1 4.4Å; L70-F132 HydrophobicContact CD2-CG 4.19Å; L70-P136 HydrophobicContact CB-CB 4.03Å; L70-P136 HydrophobicContact CB-CG 3.98Å; L70-P136 HydrophobicContact CD2-CG 4.48Å; L70-F138 PolarHBondContact N-O 2.86Å; L70-I139 CarbonylContact O-C 3.53Å; L70-I139 WeakPolarHBondContact O-CA 3.28Å; L70-L140 PolarHBondContact O-N 3.19Å; L70-L161 HydrophobicContact CD2-CD1 3.63Å; L70-L161 HydrophobicContact CD2-CD2 3.56Å; L70-L161 HydrophobicContact CD2-CG 4.18Å
71E98.9Very high98.1Very high2 Ų222 Ų221%0.00914%0.135CC..EExtended strand (participates in β ladder)trans-98129.2171.6-171.8-178.2-174.400109.9A74 V79 G80 T91 V92 T93 L140E71-A74 HydrophobicContact CB-CB 4.45Å; E71-A74 HydrophobicContact CG-CB 3.94Å; E71-V79 WeakPolarHBondContact OE1-CB 3.43Å; E71-G80 WeakPolarHBondContact OE2-CA 3.5Å; E71-G80 PolarHBondContact OE2-N 2.92Å; E71-T91 PolarHBondContact N-O 3.48Å; E71-V92 HydrophobicContact CB-CB 4.44Å; E71-V92 HydrophobicContact CB-CG1 4.09Å; E71-V92 VanDerWaalsContact OE2-CG1 3.23Å; E71-V92 WeakPolarHBondContact OE2-CG1 3.45Å; E71-T93 WeakPolarHBondContact O-CB 3.33Å; E71-T93 PolarHBondContact O-N 3.31Å; E71-T93 PolarHBondContact O-OG1 2.98Å; E71-L140 WeakPolarHBondContact CA-O 3.19Å; E71-L140 HydrophobicContact CB-CB 4.37Å; E71-L140 HydrophobicContact CG-CB 4.23Å
72L98.8Very high98.2Very high0 Ų019.6 Ų19.60%012%0.12CC..EExtended strand (participates in β ladder)trans-102.9133.5175.6-60-179.1000110L70 L123 I139 L140 M141 C144 L154 T157 L158 L161L70-L72 HydrophobicContact CD2-CD2 4.1Å; L70-L72 HydrophobicContact CG-CD2 4.24Å; L72-L123 HydrophobicContact CD2-CD2 3.51Å; L72-I139 HydrophobicContact CD1-CG2 3.8Å; L72-I139 HydrophobicContact CG-CG2 3.88Å; L72-L140 PolarHBondContact N-O 3.02Å; L72-M141 HydrophobicContact CB-CG 3.99Å; L72-M141 HydrophobicContact CD1-CG 4.37Å; L72-M141 HydrophobicContact CD1-SD 4.3Å; L72-C144 PolarHBondContact O-SG 3.43Å; L72-L154 HydrophobicContact CD1-CD1 4.24Å; L72-T157 HydrophobicContact CD1-CG2 4.16Å; L72-T157 HydrophobicContact CD2-CG2 4.41Å; L72-L158 HydrophobicContact CD1-CD2 3.69Å; L72-L158 HydrophobicContact CD1-CG 4.49Å; L72-L161 HydrophobicContact CD1-CD1 4.2Å; L72-L161 HydrophobicContact CD2-CD1 4.01Å
73G98.2Very high98.3Very high19 Ų1917 Ų1720%0.19611%0.106CC..SBendtrans64.246.6179.300000111.7G75 T93 D94G73-G75 PolarHBondContact O-N 3.35Å; G73-T93 PolarHBondContact N-O 3.49Å; G73-D94 WeakPolarHBondContact CA-OD2 3.4Å
74A98.4Very high98.3Very high7 Ų714 Ų146%0.0589%0.092CC..  trans-65.4-25.4-170.700000113.3E71 T76 G77 V92 T93 D94 L102E71-A74 HydrophobicContact CB-CB 4.45Å; E71-A74 HydrophobicContact CG-CB 3.94Å; A74-T76 PolarHBondContact O-N 2.87Å; A74-G77 PolarHBondContact O-N 2.98Å; A74-V92 HydrophobicContact CB-CB 3.87Å; A74-V92 HydrophobicContact CB-CG1 4.48Å; A74-T93 PolarHBondContact N-O 2.93Å; A74-D94 PolarHBondContact N-OD2 3.22Å; A74-D94 VanDerWaalsContact N-OD2 3.1Å; A74-L102 HydrophobicContact CB-CD2 3.93Å
75G97.5Very high98.3Very high7 Ų714.3 Ų14.37%0.0729%0.094CC..THydrogen-bonded Turntrans55.6-97-176.600000112.1G35 G73 D94 L102G35-G75 CarbonylContact O-C 3.58Å; G35-G75 VanDerWaalsContact O-C 3.28Å; G35-G75 WeakPolarHBondContact O-CA 3.32Å; G73-G75 PolarHBondContact O-N 3.35Å; G75-D94 WeakPolarHBondContact CA-OD2 3.4Å; G75-D94 PolarHBondContact N-OD2 2.92Å; G75-L102 WeakPolarHBondContact O-CD2 3.35Å
76T98Very high98.4Very high3 Ų312.2 Ų12.22%0.0188%0.077CC..THydrogen-bonded Turntrans-80.7-18.3175.360.80000113.9I26 Q28 V38 A74 L101 N105I26-T76 VanDerWaalsContact CG2-CB 3.49Å; I26-T76 HydrophobicContact CG2-CG2 4.04Å; Q28-T76 HydrophobicContact CG-CG2 4.17Å; V38-T76 HydrophobicContact CG2-CG2 4.08Å; A74-T76 PolarHBondContact O-N 2.87Å; T76-L101 HydrophobicContact CG2-CD2 4.17Å; T76-N105 PolarHBondContact O-ND2 3.39Å
77G98.4Very high98.5Very high2 Ų28.2 Ų8.22%0.0215%0.049CC..  trans82.911.8-178.800000114.9A74 V79 G80 L81A74-G77 PolarHBondContact O-N 2.98Å; G77-V79 VanDerWaalsContact C-N 3.33Å; G77-V79 PolarHBondContact O-N 2.87Å; G77-G80 PolarHBondContact O-N 2.73Å; G77-L81 VanDerWaalsContact O-CB 3.31Å; G77-L81 WeakPolarHBondContact O-CB 3.38Å; G77-L81 WeakPolarHBondContact O-CG 3.36Å; G77-L81 PolarHBondContact O-N 3.34Å
78V98.8Very high98.6Very high1 Ų14.7 Ų4.71%0.0063%0.034CC..Hα-helixtrans-61.2-35.5-173.764.90000113.9V16 I26 V38 A42 S46 M82V16-V78 HydrophobicContact CB-CG2 4.45Å; V16-V78 HydrophobicContact CG2-CG2 4Å; I26-V78 HydrophobicContact CD1-CB 4.08Å; I26-V78 HydrophobicContact CD1-CG2 3.99Å; I26-V78 HydrophobicContact CG1-CB 4.05Å; I26-V78 HydrophobicContact CG1-CG2 3.75Å; V38-V78 HydrophobicContact CG1-CG1 4.23Å; A42-V78 HydrophobicContact CB-CG1 3.66Å; S46-V78 PolarHBondContact OG-O 3.11Å; V78-M82 WeakPolarHBondContact O-CB 3.35Å; V78-M82 PolarHBondContact O-N 2.63Å
79V98.9Very high98.6Very high0 Ų07.2 Ų7.20%04%0.044CC..Hα-helixtrans-74.9-45.3-179.3-175.90000110.3A42 L45 S46 L49 E71 G77 L81 M82 A83 L140 A142A42-V79 HydrophobicContact CB-CG2 3.87Å; L45-V79 HydrophobicContact CB-CG1 4.42Å; L45-V79 HydrophobicContact CB-CG2 4.32Å; L45-V79 HydrophobicContact CD2-CG1 3.74Å; L45-V79 HydrophobicContact CD2-CG2 4.33Å; L45-V79 HydrophobicContact CG-CG1 3.74Å; L45-V79 HydrophobicContact CG-CG2 4.44Å; S46-V79 WeakPolarHBondContact OG-CA 3.45Å; L49-V79 HydrophobicContact CD1-CG1 4.06Å; E71-V79 WeakPolarHBondContact OE1-CB 3.43Å; G77-V79 VanDerWaalsContact C-N 3.33Å; G77-V79 PolarHBondContact O-N 2.87Å; V79-L81 VanDerWaalsContact C-N 3.33Å; V79-L81 PolarHBondContact O-N 2.91Å; V79-M82 WeakPolarHBondContact O-CB 3.46Å; V79-M82 PolarHBondContact O-N 3.42Å; V79-A83 PolarHBondContact O-N 2.85Å; V79-L140 HydrophobicContact CG1-CB 4.34Å; V79-L140 HydrophobicContact CG1-CD1 3.77Å; V79-A142 HydrophobicContact CG2-CB 4Å
80G98.9Very high98.6Very high0 Ų07.3 Ų7.30%05%0.045CC..Hα-helixtrans-62-39.2174.400000112.7E71 G77 A83 A84E71-G80 WeakPolarHBondContact OE2-CA 3.5Å; E71-G80 PolarHBondContact OE2-N 2.92Å; G77-G80 PolarHBondContact O-N 2.73Å; G80-A83 PolarHBondContact O-N 3.07Å; G80-A84 VanDerWaalsContact O-CB 3.32Å; G80-A84 WeakPolarHBondContact O-CB 3.32Å; G80-A84 PolarHBondContact O-N 3.41Å
81L98.9Very high98.6Very high1 Ų18 Ų81%0.0055%0.049CC..Hα-helixtrans-61.9-43.7172.4-83.6169.7000112.2L24 I26 G77 V79 A84 S85 N105 N109 I118L24-L81 HydrophobicContact CD1-CB 4.42Å; L24-L81 HydrophobicContact CD2-CB 4.25Å; I26-L81 HydrophobicContact CD1-CD1 3.67Å; G77-L81 VanDerWaalsContact O-CB 3.31Å; G77-L81 WeakPolarHBondContact O-CB 3.38Å; G77-L81 WeakPolarHBondContact O-CG 3.36Å; G77-L81 PolarHBondContact O-N 3.34Å; V79-L81 VanDerWaalsContact C-N 3.33Å; V79-L81 PolarHBondContact O-N 2.91Å; L81-A84 PolarHBondContact O-N 2.83Å; L81-S85 WeakPolarHBondContact O-CB 3.49Å; L81-S85 PolarHBondContact O-N 2.77Å; L81-N105 HydrophobicContact CD1-CB 3.98Å; L81-N109 HydrophobicContact CD1-CB 4.44Å; L81-N109 HydrophobicContact CD2-CB 3.93Å; L81-I118 HydrophobicContact CB-CD1 4.42Å; L81-I118 HydrophobicContact CD2-CD1 3.77Å; L81-I118 HydrophobicContact CD2-CG2 4.37Å; L81-I118 HydrophobicContact CG-CD1 3.81Å
82M98.8Very high98.6Very high0 Ų07.9 Ų7.90%05%0.048CC..Hα-helixtrans-57-54.8173.3-179.962.38100110V16 K18 L24 S46 L49 E50 V78 V79 A84 S85 L86V16-M82 HydrophobicContact CG1-CE 4.46Å; K18-M82 HydrophobicContact CD-SD 4.25Å; K18-M82 HydrophobicContact CG-CE 3.8Å; K18-M82 HydrophobicContact CG-SD 3.9Å; L24-M82 HydrophobicContact CD1-CB 4.12Å; L24-M82 HydrophobicContact CD1-CE 4.05Å; L24-M82 HydrophobicContact CD1-SD 4.37Å; S46-M82 WeakPolarHBondContact O-CG 3.32Å; L49-M82 HydrophobicContact CB-CG 4.47Å; L49-M82 HydrophobicContact CD1-CG 4.32Å; E50-M82 VanDerWaalsContact CD-SD 3.56Å; E50-M82 HydrophobicContact CG-CE 4.19Å; E50-M82 HydrophobicContact CG-CG 4.42Å; E50-M82 HydrophobicContact CG-SD 3.68Å; E50-M82 WeakPolarHBondContact OE2-CE 3.28Å; V78-M82 WeakPolarHBondContact O-CB 3.35Å; V78-M82 PolarHBondContact O-N 2.63Å; V79-M82 WeakPolarHBondContact O-CB 3.46Å; V79-M82 PolarHBondContact O-N 3.42Å; M82-A84 VanDerWaalsContact C-N 3.34Å; M82-A84 PolarHBondContact O-N 2.95Å; M82-S85 PolarHBondContact O-N 2.97Å; M82-S85 VanDerWaalsContact O-N 3.11Å; M82-S85 PolarHBondContact O-OG 3.13Å; M82-L86 HydrophobicContact CG-CD1 4.17Å; M82-L86 WeakPolarHBondContact O-CG 3.45Å; M82-L86 PolarHBondContact O-N 3.12Å; M82-L86 VanDerWaalsContact O-N 3.12Å; M82-L86 HydrophobicContact SD-CD1 4.35Å; M82-L86 HydrophobicContact SD-CG 4.44Å
83A98.8Very high98.6Very high0 Ų07.9 Ų7.90%05%0.048CC..Hα-helixtrans-56.8-44.1179.900000113L49 I69 V79 G80 S85 L86 G87 A88 V90 L140L49-A83 HydrophobicContact CD1-CB 3.9Å; I69-A83 HydrophobicContact CD1-CB 4.1Å; V79-A83 PolarHBondContact O-N 2.85Å; G80-A83 PolarHBondContact O-N 3.07Å; A83-S85 VanDerWaalsContact C-N 3.35Å; A83-S85 PolarHBondContact O-N 3.36Å; A83-L86 PolarHBondContact O-N 3.48Å; A83-L86 VanDerWaalsContact O-N 3.13Å; A83-G87 PolarHBondContact O-N 3.44Å; A83-A88 HydrophobicContact CB-CB 4.26Å; A83-A88 VanDerWaalsContact O-CB 3.28Å; A83-A88 WeakPolarHBondContact O-CB 3.07Å; A83-A88 PolarHBondContact O-N 2.84Å; A83-A88 VanDerWaalsContact O-N 3.12Å; A83-V90 HydrophobicContact CB-CG2 4.04Å; A83-L140 HydrophobicContact CB-CD1 4.09Å
84A98.8Very high98.6Very high0 Ų07.9 Ų7.90%04%0.044CC..Hα-helixtrans-62.8-41.7177.400000111.5G80 L81 M82 L86 G87 V90 V113 I118G80-A84 VanDerWaalsContact O-CB 3.32Å; G80-A84 WeakPolarHBondContact O-CB 3.32Å; G80-A84 PolarHBondContact O-N 3.41Å; L81-A84 PolarHBondContact O-N 2.83Å; M82-A84 VanDerWaalsContact C-N 3.34Å; M82-A84 PolarHBondContact O-N 2.95Å; A84-L86 PolarHBondContact O-N 3.11Å; A84-G87 PolarHBondContact O-N 3.12Å; A84-V90 HydrophobicContact CB-CB 4.3Å; A84-V90 HydrophobicContact CB-CG2 3.75Å; A84-V113 HydrophobicContact CB-CG1 4.03Å; A84-V113 HydrophobicContact CB-CG2 4.02Å; A84-I118 HydrophobicContact CB-CB 3.86Å; A84-I118 HydrophobicContact CB-CD1 4.37Å; A84-I118 HydrophobicContact CB-CG2 4.44Å
85S98.4Very high98.5Very high7 Ų711.5 Ų11.55%0.0496%0.062CC..Hα-helixtrans-66.2-19.2176.586.50000113.4K18 L81 M82 A83 L112K18-S85 WeakPolarHBondContact CE-OG 3.33Å; K18-S85 PolarHBondContact NZ-OG 3.24Å; L81-S85 WeakPolarHBondContact O-CB 3.49Å; L81-S85 PolarHBondContact O-N 2.77Å; M82-S85 PolarHBondContact O-N 2.97Å; M82-S85 VanDerWaalsContact O-N 3.11Å; M82-S85 PolarHBondContact O-OG 3.13Å; A83-S85 VanDerWaalsContact C-N 3.35Å; A83-S85 PolarHBondContact O-N 3.36Å; S85-L112 WeakPolarHBondContact CB-O 2.8Å
86L98.1Very high98.5Very high1 Ų117.3 Ų17.31%0.0059%0.087CC..THydrogen-bonded Turntrans-911.4173.5-57.6173.8000112.7L49 E50 Y55 N62 W64 M82 A83 A84L49-L86 HydrophobicContact CB-CD1 3.9Å; E50-L86 HydrophobicContact CG-CD1 4Å; E50-L86 HydrophobicContact CG-CD2 4.19Å; Y55-L86 HydrophobicContact CD1-CD2 3.85Å; Y55-L86 HydrophobicContact CD2-CB 4.24Å; Y55-L86 HydrophobicContact CD2-CD2 3.98Å; Y55-L86 HydrophobicContact CE1-CD2 3.66Å; Y55-L86 HydrophobicContact CE2-CB 4.17Å; Y55-L86 HydrophobicContact CE2-CD2 3.79Å; Y55-L86 HydrophobicContact CG-CD2 4Å; N62-L86 PolarHBondContact ND2-O 2.94Å; N62-L86 PolarHBondContact OD1-O 3.34Å; W64-L86 HydrophobicContact CB-CB 4.23Å; W64-L86 HydrophobicContact CG-CB 4.25Å; M82-L86 HydrophobicContact CG-CD1 4.17Å; M82-L86 WeakPolarHBondContact O-CG 3.45Å; M82-L86 PolarHBondContact O-N 3.12Å; M82-L86 VanDerWaalsContact O-N 3.12Å; M82-L86 HydrophobicContact SD-CD1 4.35Å; M82-L86 HydrophobicContact SD-CG 4.44Å; A83-L86 PolarHBondContact O-N 3.48Å; A83-L86 VanDerWaalsContact O-N 3.13Å; A84-L86 PolarHBondContact O-N 3.11Å
87G98.1Very high98.3Very high1 Ų124.2 Ų24.21%0.0112%0.124CC..THydrogen-bonded Turntrans102.812.117400000115.7S66 A83 A84 S115S66-G87 PolarHBondContact N-O 2.92Å; A83-G87 PolarHBondContact O-N 3.44Å; A84-G87 PolarHBondContact O-N 3.12Å; G87-S115 WeakPolarHBondContact CA-OG 3.44Å
88A98.7Very high98.1Very high0 Ų024.9 Ų24.90%013%0.127CC..  trans-76.6157.6172.400000112.6W64 I69 A83 V90 G116 S117W64-A88 HydrophobicContact CB-CB 4.31Å; W64-A88 VanDerWaalsContact O-CA 3.31Å; W64-A88 WeakPolarHBondContact O-CA 3.45Å; W64-A88 PolarHBondContact O-N 3.47Å; I69-A88 HydrophobicContact CD1-CB 3.51Å; I69-A88 HydrophobicContact CG1-CB 3.94Å; A83-A88 HydrophobicContact CB-CB 4.26Å; A83-A88 VanDerWaalsContact O-CB 3.28Å; A83-A88 WeakPolarHBondContact O-CB 3.07Å; A83-A88 PolarHBondContact O-N 2.84Å; A83-A88 VanDerWaalsContact O-N 3.12Å; A88-V90 HydrophobicContact CB-CG2 3.67Å; A88-G116 CarbonylContact O-C 3.56Å; A88-G116 WeakPolarHBondContact O-CA 3.41Å; A88-S117 PolarHBondContact O-N 2.85Å
89Q98.8Very high98Very high97 Ų9725.4 Ų25.445%0.45313%0.129SC..EExtended strand (participates in β ladder)trans-98.1105.5167.5-64.917578.500107.4S66 K67 N68 I69 S117S66-Q89 PolarHBondContact O-NE2 2.88Å; S66-Q89 VanDerWaalsContact O-NE2 3.15Å; K67-Q89 PolarHBondContact O-N 3.07Å; N68-Q89 CarbonylContact C-O 3.28Å; N68-Q89 WeakPolarHBondContact CA-O 3.4Å; I69-Q89 PolarHBondContact N-O 3Å; Q89-S117 WeakPolarHBondContact CA-OG 3.43Å
90V98.9Very high97.8Very high3 Ų329.1 Ų29.12%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-112.7131.8-165-171.90000111.4I69 A83 A84 A88 V92 S117 I118 E119I69-V90 HydrophobicContact CB-CG2 4.27Å; I69-V90 CarbonylContact O-C 3.59Å; I69-V90 WeakPolarHBondContact O-CA 3.49Å; A83-V90 HydrophobicContact CB-CG2 4.04Å; A84-V90 HydrophobicContact CB-CB 4.3Å; A84-V90 HydrophobicContact CB-CG2 3.75Å; A88-V90 HydrophobicContact CB-CG2 3.67Å; V90-V92 HydrophobicContact CG1-CG1 3.76Å; V90-S117 PolarHBondContact N-O 2.9Å; V90-I118 HydrophobicContact CB-CB 4.43Å; V90-I118 HydrophobicContact CB-CG1 4.18Å; V90-I118 HydrophobicContact CG1-CG1 4.38Å; V90-I118 CarbonylContact O-C 3.49Å; V90-I118 VanDerWaalsContact O-CA 3.28Å; V90-I118 WeakPolarHBondContact O-CA 3.28Å; V90-E119 PolarHBondContact O-N 3.29Å
91T98.9Very high97.7Very high16 Ų1629.4 Ų29.410%0.09816%0.156CC..EExtended strand (participates in β ladder)trans-107.7116.1159.9-57.40000107.6I69 L70 E71 T93 E119 K121 F132I69-T91 PolarHBondContact O-N 3.35Å; L70-T91 WeakPolarHBondContact CA-O 3.4Å; L70-T91 HydrophobicContact CD1-CG2 3.9Å; E71-T91 PolarHBondContact N-O 3.48Å; T91-T93 HydrophobicContact CG2-CG2 3.96Å; T91-E119 WeakPolarHBondContact CA-O 3.24Å; T91-E119 HydrophobicContact CG2-CG 4.28Å; T91-E119 PolarHBondContact OG1-OE1 3.06Å; T91-K121 HydrophobicContact CG2-CB 4.06Å; T91-K121 HydrophobicContact CG2-CD 3.89Å; T91-K121 HydrophobicContact CG2-CG 4.13Å; T91-F132 HydrophobicContact CG2-CD1 4.14Å; T91-F132 HydrophobicContact CG2-CE1 3.95Å
92V98.9Very high97.7Very high1 Ų129.4 Ų29.41%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-93.3135.5172.3-62.80000109.7E71 A74 V90 L102 I106 I118 E119 A120 K121E71-V92 HydrophobicContact CB-CB 4.44Å; E71-V92 HydrophobicContact CB-CG1 4.09Å; E71-V92 VanDerWaalsContact OE2-CG1 3.23Å; E71-V92 WeakPolarHBondContact OE2-CG1 3.45Å; A74-V92 HydrophobicContact CB-CB 3.87Å; A74-V92 HydrophobicContact CB-CG1 4.48Å; V90-V92 HydrophobicContact CG1-CG1 3.76Å; V92-L102 HydrophobicContact CB-CD2 4.5Å; V92-L102 HydrophobicContact CG2-CD1 4.37Å; V92-L102 HydrophobicContact CG2-CD2 4Å; V92-I106 HydrophobicContact CG2-CD1 4.17Å; V92-I118 HydrophobicContact CG1-CD1 3.84Å; V92-I118 HydrophobicContact CG1-CG1 4.18Å; V92-I118 HydrophobicContact CG2-CD1 4.42Å; V92-I118 HydrophobicContact CG2-CG1 4.38Å; V92-E119 WeakPolarHBondContact CG2-O 2.88Å; V92-E119 PolarHBondContact N-O 3.34Å; V92-A120 HydrophobicContact CG2-CB 4.04Å; V92-A120 WeakPolarHBondContact O-CA 3.2Å; V92-K121 PolarHBondContact O-N 3.13Å
93T98.9Very high97.6Very high0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-130.4141.9-176.271.50000113.6L70 E71 G73 A74 T91 K121 L123 F132L70-T93 HydrophobicContact CD1-CG2 3.58Å; E71-T93 WeakPolarHBondContact O-CB 3.33Å; E71-T93 PolarHBondContact O-N 3.31Å; E71-T93 PolarHBondContact O-OG1 2.98Å; G73-T93 PolarHBondContact N-O 3.49Å; A74-T93 PolarHBondContact N-O 2.93Å; T91-T93 HydrophobicContact CG2-CG2 3.96Å; T93-K121 VanDerWaalsContact CA-O 3.28Å; T93-K121 WeakPolarHBondContact CA-O 3.5Å; T93-K121 HydrophobicContact CG2-CB 4.39Å; T93-L123 HydrophobicContact CG2-CB 4.02Å; T93-F132 HydrophobicContact CG2-CD1 4.42Å; T93-F132 HydrophobicContact CG2-CE1 3.66Å; T93-F132 HydrophobicContact CG2-CZ 4.06Å
94D98.3Very high97.6Very high19 Ų1936.7 Ų36.710%0.10219%0.193CC..EExtended strand (participates in β ladder)trans-158.9-171.4173.7-147.1-69.1000109.4G73 A74 G75 L98 Q99 L102 K121 V122 L123G73-D94 WeakPolarHBondContact CA-OD2 3.4Å; A74-D94 PolarHBondContact N-OD2 3.22Å; A74-D94 VanDerWaalsContact N-OD2 3.1Å; G75-D94 WeakPolarHBondContact CA-OD2 3.4Å; G75-D94 PolarHBondContact N-OD2 2.92Å; D94-L98 HydrophobicContact CB-CB 3.86Å; D94-L98 HydrophobicContact CB-CG 4.42Å; D94-Q99 PolarHBondContact O-NE2 2.95Å; D94-L102 HydrophobicContact CB-CD1 4.05Å; D94-K121 PolarHBondContact N-O 3.25Å; D94-V122 WeakPolarHBondContact O-CA 3.35Å; D94-L123 PolarHBondContact O-N 3.48Å
95L97Very high97.6Very high82 Ų8236.7 Ų36.743%0.42919%0.193SC..  trans-66161.9173.1-57.8177.4000111.6D97 L98 Q99 K124L95-D97 PolarHBondContact O-N 2.93Å; L95-L98 PolarHBondContact O-N 3.47Å; L95-L98 VanDerWaalsContact O-N 3.11Å; L95-Q99 PolarHBondContact O-NE2 3Å; L95-K124 HydrophobicContact CD2-CB 3.91Å; L95-K124 HydrophobicContact CD2-CD 4.25Å; L95-K124 HydrophobicContact CD2-CG 3.87Å
96E96.4Very high97.6Very high130 Ų13037.8 Ų37.861%0.60720%0.198SC*.G310 helixtrans-51.7-43.4177.8-173.668.6-145.900112.2L98 Q99 V122E96-L98 PolarHBondContact O-N 2.76Å; E96-L98 VanDerWaalsContact O-N 3.09Å; E96-Q99 WeakPolarHBondContact O-CB 3.41Å; E96-Q99 VanDerWaalsContact O-CG 3.31Å; E96-Q99 WeakPolarHBondContact O-CG 3.47Å; E96-Q99 PolarHBondContact O-N 3.41Å; E96-Q99 VanDerWaalsContact O-N 3.1Å; E96-V122 VanDerWaalsContact OE2-CG2 3.25Å; E96-V122 WeakPolarHBondContact OE2-CG2 3.5Å
97D93.8Very high97.6Very high147 Ų14743.9 Ų43.979%0.78623%0.227SC*.G310 helixtrans-63.8-19.9-176.2-66.1-13.5000113.4L95L95-D97 PolarHBondContact O-N 2.93Å
98L95.4Very high97.6Very high16 Ų1647.6 Ų47.68%0.08425%0.246CC..G310 helixtrans-95.1-11.1-179.4-80.1-62.1000112.8D94 L95 E96 S100 L101 L102D94-L98 HydrophobicContact CB-CB 3.86Å; D94-L98 HydrophobicContact CB-CG 4.42Å; L95-L98 PolarHBondContact O-N 3.47Å; L95-L98 VanDerWaalsContact O-N 3.11Å; E96-L98 PolarHBondContact O-N 2.76Å; E96-L98 VanDerWaalsContact O-N 3.09Å; L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 2.83Å; L98-L101 HydrophobicContact CD1-CD2 4.11Å; L98-L101 WeakPolarHBondContact O-CB 3.26Å; L98-L101 PolarHBondContact O-N 2.83Å; L98-L102 WeakPolarHBondContact O-CG 3.45Å; L98-L102 PolarHBondContact O-N 3.42Å
99Q97Very high97.6Very high13 Ų1347.8 Ų47.86%0.06125%0.247CC..Hα-helixtrans-60.6-37.5-175.2-61.6-58.1-53.400112.6D94 L95 E96 L101 L102 Q103 K121 V122D94-Q99 PolarHBondContact O-NE2 2.95Å; L95-Q99 PolarHBondContact O-NE2 3Å; E96-Q99 WeakPolarHBondContact O-CB 3.41Å; E96-Q99 VanDerWaalsContact O-CG 3.31Å; E96-Q99 WeakPolarHBondContact O-CG 3.47Å; E96-Q99 PolarHBondContact O-N 3.41Å; E96-Q99 VanDerWaalsContact O-N 3.1Å; Q99-L101 PolarHBondContact O-N 3.06Å; Q99-L102 PolarHBondContact O-N 2.77Å; Q99-Q103 WeakPolarHBondContact O-CB 3.41Å; Q99-Q103 VanDerWaalsContact O-CG 3.27Å; Q99-Q103 WeakPolarHBondContact O-CG 3.21Å; Q99-Q103 PolarHBondContact O-N 2.74Å; Q99-K121 PolarHBondContact NE2-O 2.8Å; Q99-K121 PolarHBondContact OE1-O 3.21Å; Q99-V122 HydrophobicContact CG-CG2 3.59Å
100S94.9Very high97.5Very high78 Ų7848.4 Ų48.455%0.54525%0.25SS..Hα-helixtrans-64.7-38.8176.9-67.20000112.3L98 V104L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 2.83Å; S100-V104 WeakPolarHBondContact O-CG2 3.4Å; S100-V104 PolarHBondContact O-N 3.29Å; S100-V104 VanDerWaalsContact O-N 3.14Å
101L96.1Very high97.4Very high5 Ų556.2 Ų56.23%0.02629%0.286CS..Hα-helixtrans-68.4-45.2177.7-179.260.2000111Y11 K27 C36 T76 L98 Q99 Q103 V104 N105Y11-L101 HydrophobicContact CD1-CD1 4.07Å; Y11-L101 HydrophobicContact CE1-CD1 3.7Å; K27-L101 HydrophobicContact CB-CD1 4.12Å; K27-L101 WeakPolarHBondContact O-CD1 3.49Å; C36-L101 HydrophobicContact CB-CD2 4.32Å; T76-L101 HydrophobicContact CG2-CD2 4.17Å; L98-L101 HydrophobicContact CD1-CD2 4.11Å; L98-L101 WeakPolarHBondContact O-CB 3.26Å; L98-L101 PolarHBondContact O-N 2.83Å; Q99-L101 PolarHBondContact O-N 3.06Å; L101-Q103 PolarHBondContact O-N 3.09Å; L101-V104 PolarHBondContact O-N 2.95Å; L101-N105 PolarHBondContact O-N 2.83Å
102L98.2Very high97.3Very high1 Ų157.7 Ų57.71%0.00529%0.294CS..Hα-helixtrans-58-47176-69.8169.6000111.3A74 G75 V92 D94 L98 Q99 V104 N105 I106 A120A74-L102 HydrophobicContact CB-CD2 3.93Å; G75-L102 WeakPolarHBondContact O-CD2 3.35Å; V92-L102 HydrophobicContact CB-CD2 4.5Å; V92-L102 HydrophobicContact CG2-CD1 4.37Å; V92-L102 HydrophobicContact CG2-CD2 4Å; D94-L102 HydrophobicContact CB-CD1 4.05Å; L98-L102 WeakPolarHBondContact O-CG 3.45Å; L98-L102 PolarHBondContact O-N 3.42Å; Q99-L102 PolarHBondContact O-N 2.77Å; L102-V104 PolarHBondContact O-N 3.3Å; L102-N105 PolarHBondContact O-N 2.93Å; L102-I106 WeakPolarHBondContact O-CB 3.32Å; L102-I106 VanDerWaalsContact O-CG1 3.25Å; L102-I106 WeakPolarHBondContact O-CG1 3.15Å; L102-I106 PolarHBondContact O-N 3.04Å; L102-A120 HydrophobicContact CB-CB 3.83Å; L102-A120 HydrophobicContact CD1-CB 4.23Å
103Q98.2Very high97.3Very high114 Ų11458.9 Ų58.953%0.53330%0.301SS..Hα-helixtrans-61.7-42.4178.8-74.6174.714.400112.6Q99 L101 I106 Q107Q99-Q103 WeakPolarHBondContact O-CB 3.41Å; Q99-Q103 VanDerWaalsContact O-CG 3.27Å; Q99-Q103 WeakPolarHBondContact O-CG 3.21Å; Q99-Q103 PolarHBondContact O-N 2.74Å; L101-Q103 PolarHBondContact O-N 3.09Å; Q103-I106 PolarHBondContact O-N 3.3Å; Q103-Q107 WeakPolarHBondContact O-CB 3.34Å; Q103-Q107 PolarHBondContact O-N 3.07Å
104V97.1Very high96.8Very high39 Ų3963.9 Ų63.924%0.23634%0.336CS..Hα-helixtrans-61.1-46.6175.4168.30000110.8K27 S100 L101 L102 I106 Q107 D108K27-V104 HydrophobicContact CB-CG1 4.3Å; K27-V104 HydrophobicContact CG-CG1 3.72Å; S100-V104 WeakPolarHBondContact O-CG2 3.4Å; S100-V104 PolarHBondContact O-N 3.29Å; S100-V104 VanDerWaalsContact O-N 3.14Å; L101-V104 PolarHBondContact O-N 2.95Å; L102-V104 PolarHBondContact O-N 3.3Å; V104-I106 PolarHBondContact O-N 3.24Å; V104-Q107 PolarHBondContact O-N 3.49Å; V104-D108 WeakPolarHBondContact O-CB 3.3Å; V104-D108 PolarHBondContact O-N 2.96Å
105N98.5Very high96.5Very high0 Ų067 Ų670%036%0.359CS..Hα-helixtrans-67.1-35.6179.6-74.9-25.3000112.7K27 T76 L81 L101 L102 N109K27-N105 WeakPolarHBondContact CA-OD1 3.02Å; K27-N105 WeakPolarHBondContact CB-OD1 3.29Å; K27-N105 WeakPolarHBondContact CG-OD1 3.4Å; K27-N105 PolarHBondContact N-OD1 2.83Å; K27-N105 PolarHBondContact O-ND2 3.26Å; K27-N105 VanDerWaalsContact O-ND2 3.12Å; T76-N105 PolarHBondContact O-ND2 3.39Å; L81-N105 HydrophobicContact CD1-CB 3.98Å; L101-N105 PolarHBondContact O-N 2.83Å; L102-N105 PolarHBondContact O-N 2.93Å; N105-N109 WeakPolarHBondContact O-CB 3.46Å; N105-N109 PolarHBondContact O-N 2.8Å; N105-N109 PolarHBondContact O-ND2 3.21Å
106I98.6Very high96.6Very high31 Ų3164.1 Ų64.116%0.15935%0.349CS..Hα-helixtrans-61.1-50172-72.5166000110.5V92 L102 Q103 V104 D108 N109 Q110 I118 A120V92-I106 HydrophobicContact CG2-CD1 4.17Å; L102-I106 WeakPolarHBondContact O-CB 3.32Å; L102-I106 VanDerWaalsContact O-CG1 3.25Å; L102-I106 WeakPolarHBondContact O-CG1 3.15Å; L102-I106 PolarHBondContact O-N 3.04Å; Q103-I106 PolarHBondContact O-N 3.3Å; V104-I106 PolarHBondContact O-N 3.24Å; I106-D108 PolarHBondContact O-N 2.87Å; I106-N109 PolarHBondContact O-N 2.9Å; I106-Q110 PolarHBondContact O-N 2.86Å; I106-I118 HydrophobicContact CB-CG2 4.42Å; I106-I118 HydrophobicContact CD1-CD1 4.43Å; I106-I118 HydrophobicContact CD1-CG1 4.1Å; I106-I118 HydrophobicContact CG1-CD1 4.02Å; I106-I118 HydrophobicContact CG1-CG1 4.1Å; I106-I118 HydrophobicContact CG1-CG2 3.99Å; I106-I118 HydrophobicContact CG2-CG2 3.78Å; I106-A120 HydrophobicContact CD1-CB 3.87Å
107Q98.3Very high96.7Very high128 Ų12860.5 Ų60.560%0.59834%0.338SS*.Hα-helixtrans-62.6-44.8-178-174175.613.700112.2Q103 V104 N109 Q110Q103-Q107 WeakPolarHBondContact O-CB 3.34Å; Q103-Q107 PolarHBondContact O-N 3.07Å; V104-Q107 PolarHBondContact O-N 3.49Å; Q107-N109 PolarHBondContact O-N 2.89Å; Q107-Q110 WeakPolarHBondContact O-CG 3.48Å; Q107-Q110 PolarHBondContact O-N 2.83Å
108D97.9Very high96.9Very high80 Ų8054.9 Ų54.943%0.42831%0.308SS..Hα-helixtrans-65.7-19.9-178.5-81.74.2000113.1K27 V104 I106K27-D108 WeakPolarHBondContact CE-OD2 3.31Å; K27-D108 IonicContact NZ-OD2 3.56Å; V104-D108 WeakPolarHBondContact O-CB 3.3Å; V104-D108 PolarHBondContact O-N 2.96Å; I106-D108 PolarHBondContact O-N 2.87Å
109N98.6Very high97.1Very high3 Ų358.2 Ų58.22%0.01632%0.323CS..Hα-helixtrans-117.66.9-175.4-64.5-82000113.8L24 K25 L81 N105 I106 Q107 E111 L112L24-N109 VanDerWaalsContact CA-OD1 3.3Å; L24-N109 WeakPolarHBondContact CA-OD1 3.49Å; L24-N109 HydrophobicContact CD2-CB 4.11Å; K25-N109 PolarHBondContact N-OD1 3.46Å; K25-N109 PolarHBondContact O-ND2 2.82Å; L81-N109 HydrophobicContact CD1-CB 4.44Å; L81-N109 HydrophobicContact CD2-CB 3.93Å; N105-N109 WeakPolarHBondContact O-CB 3.46Å; N105-N109 PolarHBondContact O-N 2.8Å; N105-N109 PolarHBondContact O-ND2 3.21Å; I106-N109 PolarHBondContact O-N 2.9Å; Q107-N109 PolarHBondContact O-N 2.89Å; N109-E111 PolarHBondContact O-N 2.99Å; N109-E111 VanDerWaalsContact O-N 3.16Å; N109-L112 WeakPolarHBondContact O-CB 3.36Å; N109-L112 PolarHBondContact O-N 3.4Å
110Q97Very high97.1Very high110 Ų11058.7 Ų58.751%0.51433%0.329SS..G310 helixtrans-57-34.4-174.570.8-177.34.900113.5I106 Q107 L112 V113I106-Q110 PolarHBondContact O-N 2.86Å; Q107-Q110 WeakPolarHBondContact O-CG 3.48Å; Q107-Q110 PolarHBondContact O-N 2.83Å; Q110-L112 PolarHBondContact O-N 2.76Å; Q110-V113 PolarHBondContact O-N 3.33Å; Q110-V113 VanDerWaalsContact O-N 3.07Å
111E97.5Very high97.3Very high167 Ų16757.8 Ų57.878%0.7832%0.315SS*.G310 helixtrans-66.6-21.3-179.2-62-69.4164.700112.6N109N109-E111 PolarHBondContact O-N 2.99Å; N109-E111 VanDerWaalsContact O-N 3.16Å
112L97.7Very high97.4Very high48 Ų4860 Ų6025%0.25133%0.329SS..G310 helixtrans-86.5-10.7177.4-59.4177.2000112.5V23 L24 S85 N109 Q110V23-L112 WeakPolarHBondContact O-CD1 3.44Å; L24-L112 HydrophobicContact CD2-CD1 3.89Å; S85-L112 WeakPolarHBondContact CB-O 2.8Å; N109-L112 WeakPolarHBondContact O-CB 3.36Å; N109-L112 PolarHBondContact O-N 3.4Å; Q110-L112 PolarHBondContact O-N 2.76Å
113V97Very high97.5Very high25 Ų2560.3 Ų60.315%0.15233%0.331CS..  trans-99.290.6177.9-176.70000108.3A84 Q110 I118A84-V113 HydrophobicContact CB-CG1 4.03Å; A84-V113 HydrophobicContact CB-CG2 4.02Å; Q110-V113 PolarHBondContact O-N 3.33Å; Q110-V113 VanDerWaalsContact O-N 3.07Å; V113-I118 HydrophobicContact CG2-CG2 4.46Å
114S89.1Confident97.5Very high105 Ų10560.1 Ų60.173%0.73433%0.328SS*.SBendtrans-94.8-59.3-176.157.60000113
115S92.9Very high97.5Very high86 Ų8660.2 Ų60.260%0.60132%0.324SS*.SBendtrans-97.4-1.1-17862.70000114.2G87G87-S115 WeakPolarHBondContact CA-OG 3.44Å
116G97.4Very high97.5Very high20 Ų2062.4 Ų62.421%0.20635%0.347CS..SBendtrans-108.1-170.1177.600000112.4A88A88-G116 CarbonylContact O-C 3.56Å; A88-G116 WeakPolarHBondContact O-CA 3.41Å
117S98.6Very high97.4Very high55 Ų5566.1 Ų66.139%0.38536%0.364SS..EExtended strand (participates in β ladder)trans-147.3156.5169.562.20000109.9A88 Q89 V90A88-S117 PolarHBondContact O-N 2.85Å; Q89-S117 WeakPolarHBondContact CA-OG 3.43Å; V90-S117 PolarHBondContact N-O 2.9Å
118I98.8Very high97.4Very high29 Ų2965.6 Ų65.615%0.14937%0.365CS..EExtended strand (participates in β ladder)trans-143.1135.4173.4-169.3168.9000110.6L81 A84 V90 V92 I106 V113L81-I118 HydrophobicContact CB-CD1 4.42Å; L81-I118 HydrophobicContact CD2-CD1 3.77Å; L81-I118 HydrophobicContact CD2-CG2 4.37Å; L81-I118 HydrophobicContact CG-CD1 3.81Å; A84-I118 HydrophobicContact CB-CB 3.86Å; A84-I118 HydrophobicContact CB-CD1 4.37Å; A84-I118 HydrophobicContact CB-CG2 4.44Å; V90-I118 HydrophobicContact CB-CB 4.43Å; V90-I118 HydrophobicContact CB-CG1 4.18Å; V90-I118 HydrophobicContact CG1-CG1 4.38Å; V90-I118 CarbonylContact O-C 3.49Å; V90-I118 VanDerWaalsContact O-CA 3.28Å; V90-I118 WeakPolarHBondContact O-CA 3.28Å; V92-I118 HydrophobicContact CG1-CD1 3.84Å; V92-I118 HydrophobicContact CG1-CG1 4.18Å; V92-I118 HydrophobicContact CG2-CD1 4.42Å; V92-I118 HydrophobicContact CG2-CG1 4.38Å; I106-I118 HydrophobicContact CB-CG2 4.42Å; I106-I118 HydrophobicContact CD1-CD1 4.43Å; I106-I118 HydrophobicContact CD1-CG1 4.1Å; I106-I118 HydrophobicContact CG1-CD1 4.02Å; I106-I118 HydrophobicContact CG1-CG1 4.1Å; I106-I118 HydrophobicContact CG1-CG2 3.99Å; I106-I118 HydrophobicContact CG2-CG2 3.78Å; V113-I118 HydrophobicContact CG2-CG2 4.46Å
119E98.7Very high97.4Very high85 Ų8562.3 Ų62.340%0.39735%0.348SS..EExtended strand (participates in β ladder)trans-134.8152.4169.962.3170.7177.300110.6V90 T91 V92 K121V90-E119 PolarHBondContact O-N 3.29Å; T91-E119 WeakPolarHBondContact CA-O 3.24Å; T91-E119 HydrophobicContact CG2-CG 4.28Å; T91-E119 PolarHBondContact OG1-OE1 3.06Å; V92-E119 WeakPolarHBondContact CG2-O 2.88Å; V92-E119 PolarHBondContact N-O 3.34Å; E119-K121 WeakPolarHBondContact OE1-CE 3.46Å; E119-K121 IonicContact OE1-NZ 3.96Å; E119-K121 PolarHBondContact OE1-NZ 3.42Å; E119-K121 WeakPolarHBondContact OE2-CE 3.25Å; E119-K121 IonicContact OE2-NZ 2.67Å
120A98.8Very high97.3Very high23 Ų2365.6 Ų65.619%0.1937%0.371CS..EExtended strand (participates in β ladder)trans-102.3134.317400000110.4V92 L102 I106V92-A120 HydrophobicContact CG2-CB 4.04Å; V92-A120 WeakPolarHBondContact O-CA 3.2Å; L102-A120 HydrophobicContact CB-CB 3.83Å; L102-A120 HydrophobicContact CD1-CB 4.23Å; I106-A120 HydrophobicContact CD1-CB 3.87Å
121K98.7Very high97.3Very high59 Ų5965.5 Ų65.526%0.25737%0.371SS..EExtended strand (participates in β ladder)trans-134.7158.3173.8-74.2-178.7173.8151.90111T91 V92 T93 D94 Q99 E119 F132T91-K121 HydrophobicContact CG2-CB 4.06Å; T91-K121 HydrophobicContact CG2-CD 3.89Å; T91-K121 HydrophobicContact CG2-CG 4.13Å; V92-K121 PolarHBondContact O-N 3.13Å; T93-K121 VanDerWaalsContact CA-O 3.28Å; T93-K121 WeakPolarHBondContact CA-O 3.5Å; T93-K121 HydrophobicContact CG2-CB 4.39Å; D94-K121 PolarHBondContact N-O 3.25Å; Q99-K121 PolarHBondContact NE2-O 2.8Å; Q99-K121 PolarHBondContact OE1-O 3.21Å; E119-K121 WeakPolarHBondContact OE1-CE 3.46Å; E119-K121 IonicContact OE1-NZ 3.96Å; E119-K121 PolarHBondContact OE1-NZ 3.42Å; E119-K121 WeakPolarHBondContact OE2-CE 3.25Å; E119-K121 IonicContact OE2-NZ 2.67Å; K121-F132 HydrophobicContact CB-CE1 4.02Å; K121-F132 HydrophobicContact CB-CZ 4.35Å; K121-F132 HydrophobicContact CD-CE1 3.97Å
122V98.6Very high97.3Very high53 Ų5358.2 Ų58.232%0.32134%0.336SS..EExtended strand (participates in β ladder)trans-82.6128.8174.8-179.40000108.7D94 E96 Q99D94-V122 WeakPolarHBondContact O-CA 3.35Å; E96-V122 VanDerWaalsContact OE2-CG2 3.25Å; E96-V122 WeakPolarHBondContact OE2-CG2 3.5Å; Q99-V122 HydrophobicContact CG-CG2 3.59Å
123L98.6Very high97.2Very high7 Ų759.8 Ų59.84%0.03735%0.345CS..  trans-145.1104.7165.7178.553.3000109.4L72 T93 D94 V129 F132 T157 L161L72-L123 HydrophobicContact CD2-CD2 3.51Å; T93-L123 HydrophobicContact CG2-CB 4.02Å; D94-L123 PolarHBondContact O-N 3.48Å; L123-V129 HydrophobicContact CD1-CG1 4.12Å; L123-F132 HydrophobicContact CB-CE2 4.13Å; L123-F132 HydrophobicContact CB-CZ 3.94Å; L123-F132 HydrophobicContact CD1-CE2 3.89Å; L123-F132 HydrophobicContact CD2-CD2 4.14Å; L123-F132 HydrophobicContact CD2-CE2 3.8Å; L123-F132 HydrophobicContact CD2-CZ 4.19Å; L123-F132 HydrophobicContact CG-CE2 4.14Å; L123-F132 HydrophobicContact CG-CZ 4.44Å; L123-T157 HydrophobicContact CD2-CG2 4.25Å; L123-L161 HydrophobicContact CD2-CD1 4.41Å
124K98.3Very high97.2Very high110 Ų11063.6 Ų63.648%0.47837%0.37SS..  trans-83.8127.2165.6-178.3172166.7-159.90109.1L95 E127L95-K124 HydrophobicContact CD2-CB 3.91Å; L95-K124 HydrophobicContact CD2-CD 4.25Å; L95-K124 HydrophobicContact CD2-CG 3.87Å; K124-E127 HydrophobicContact CB-CG 4.19Å; K124-E127 WeakPolarHBondContact CD-OE1 3.45Å; K124-E127 HydrophobicContact CG-CG 4.43Å; K124-E127 IonicContact NZ-OE1 3.8Å; K124-E127 VanDerWaalsContact O-CB 3.3Å; K124-E127 WeakPolarHBondContact O-CB 3.39Å; K124-E127 WeakPolarHBondContact O-CG 3.48Å; K124-E127 PolarHBondContact O-N 2.87Å
125W98.5Very high97.6Very high40 Ų4062.6 Ų62.615%0.15235%0.353CS..THydrogen-bonded Turntrans-60.6145.3-178.1-53.2-28.9000111.8E127 C144 P153 L154 T157W125-E127 VanDerWaalsContact C-N 3.29Å; W125-C144 HydrophobicContact CH2-CB 3.62Å; W125-C144 HydrophobicContact CZ2-CB 4Å; W125-P153 HydrophobicContact CB-CB 3.95Å; W125-P153 WeakPolarHBondContact O-CB 3.47Å; W125-L154 HydrophobicContact CD2-CB 4.11Å; W125-L154 HydrophobicContact CD2-CD1 3.81Å; W125-L154 HydrophobicContact CD2-CG 4.46Å; W125-L154 HydrophobicContact CE3-CB 3.78Å; W125-L154 HydrophobicContact CE3-CD1 4.12Å; W125-L154 HydrophobicContact CE3-CD2 4.41Å; W125-L154 HydrophobicContact CE3-CG 4.32Å; W125-L154 HydrophobicContact CG-CB 4.46Å; W125-L154 HydrophobicContact CG-CD1 4.2Å; W125-L154 HydrophobicContact CH2-CD1 4.46Å; W125-L154 HydrophobicContact CH2-CD2 4.43Å; W125-L154 HydrophobicContact CZ2-CD1 4.16Å; W125-L154 HydrophobicContact CZ3-CB 4.33Å; W125-L154 HydrophobicContact CZ3-CD1 4.43Å; W125-L154 HydrophobicContact CZ3-CD2 4.17Å; W125-T157 WeakPolarHBondContact CA-OG1 3.44Å
126G97.8Very high97.9Very high47 Ų4758.5 Ų58.549%0.48533%0.325SS..THydrogen-bonded Turntrans82-3.9-171.800000115P153 T157G126-P153 PolarHBondContact N-O 3.47Å; G126-T157 PolarHBondContact N-OG1 3.31Å
127E97.7Very high97.9Very high109 Ų10961.3 Ų61.351%0.50933%0.332SS..SBendtrans-94-177.7176.1-58.1-169.3172.400112.4K124 W125 V129K124-E127 HydrophobicContact CB-CG 4.19Å; K124-E127 WeakPolarHBondContact CD-OE1 3.45Å; K124-E127 HydrophobicContact CG-CG 4.43Å; K124-E127 IonicContact NZ-OE1 3.8Å; K124-E127 VanDerWaalsContact O-CB 3.3Å; K124-E127 WeakPolarHBondContact O-CB 3.39Å; K124-E127 WeakPolarHBondContact O-CG 3.48Å; K124-E127 PolarHBondContact O-N 2.87Å; W125-E127 VanDerWaalsContact C-N 3.29Å; E127-V129 PolarHBondContact O-N 2.81Å
128N97.4Very high97.9Very high116 Ų11659.4 Ų59.462%0.6232%0.317SS*.  trans-67.1131-174.9-173.6-26.5000111.2S130N128-S130 VanDerWaalsContact OD1-CB 3.25Å; N128-S130 WeakPolarHBondContact OD1-CB 3.29Å; N128-S130 PolarHBondContact OD1-N 3.01Å; N128-S130 PolarHBondContact OD1-OG 3.24Å
129V98.1Very high97.9Very high11 Ų1158 Ų587%0.06731%0.31CS..  trans-110.97.9-178.8-57.50000114.5L123 E127 E131 F132 T157 H160 L161L123-V129 HydrophobicContact CD1-CG1 4.12Å; E127-V129 PolarHBondContact O-N 2.81Å; V129-E131 PolarHBondContact O-N 2.82Å; V129-E131 VanDerWaalsContact O-N 3.12Å; V129-F132 HydrophobicContact CB-CD2 4.13Å; V129-F132 WeakPolarHBondContact O-CD2 3.49Å; V129-F132 PolarHBondContact O-N 3Å; V129-T157 HydrophobicContact CG1-CG2 4.1Å; V129-H160 HydrophobicContact CG2-CB 3.37Å; V129-L161 HydrophobicContact CB-CD2 3.7Å; V129-L161 HydrophobicContact CB-CG 3.99Å; V129-L161 HydrophobicContact CG1-CD1 4.31Å; V129-L161 HydrophobicContact CG1-CD2 4.15Å; V129-L161 HydrophobicContact CG1-CG 3.99Å; V129-L161 HydrophobicContact CG2-CD2 4.09Å; V129-L161 HydrophobicContact CG2-CG 4.18Å
130S97Very high98Very high72 Ų7254 Ų5450%0.50329%0.291SS..G310 helixtrans-61.6-25.4-171.661.80000113.7N128 F132 L133N128-S130 VanDerWaalsContact OD1-CB 3.25Å; N128-S130 WeakPolarHBondContact OD1-CB 3.29Å; N128-S130 PolarHBondContact OD1-N 3.01Å; N128-S130 PolarHBondContact OD1-OG 3.24Å; S130-F132 PolarHBondContact O-N 3.16Å; S130-L133 WeakPolarHBondContact O-CB 3.25Å; S130-L133 PolarHBondContact O-N 3.07Å
131E97.1Very high97.9Very high109 Ų10953 Ų5351%0.50928%0.282SS..G310 helixtrans-71.9-18.6176.971.1176.5125.300113.6V129 L133V129-E131 PolarHBondContact O-N 2.82Å; V129-E131 VanDerWaalsContact O-N 3.12Å; E131-L133 VanDerWaalsContact C-N 3.27Å
132F97.4Very high97.9Very high13 Ų1350.8 Ų50.86%0.05728%0.275CS..G310 helixtrans-94.215.6178.8-50.2-76.5000112L70 T91 T93 K121 L123 V129 S130 L161L70-F132 HydrophobicContact CD1-CD1 3.56Å; L70-F132 HydrophobicContact CD1-CE1 4.07Å; L70-F132 HydrophobicContact CD1-CG 4.18Å; L70-F132 HydrophobicContact CD2-CB 4.04Å; L70-F132 HydrophobicContact CD2-CD1 4.4Å; L70-F132 HydrophobicContact CD2-CG 4.19Å; T91-F132 HydrophobicContact CG2-CD1 4.14Å; T91-F132 HydrophobicContact CG2-CE1 3.95Å; T93-F132 HydrophobicContact CG2-CD1 4.42Å; T93-F132 HydrophobicContact CG2-CE1 3.66Å; T93-F132 HydrophobicContact CG2-CZ 4.06Å; K121-F132 HydrophobicContact CB-CE1 4.02Å; K121-F132 HydrophobicContact CB-CZ 4.35Å; K121-F132 HydrophobicContact CD-CE1 3.97Å; L123-F132 HydrophobicContact CB-CE2 4.13Å; L123-F132 HydrophobicContact CB-CZ 3.94Å; L123-F132 HydrophobicContact CD1-CE2 3.89Å; L123-F132 HydrophobicContact CD2-CD2 4.14Å; L123-F132 HydrophobicContact CD2-CE2 3.8Å; L123-F132 HydrophobicContact CD2-CZ 4.19Å; L123-F132 HydrophobicContact CG-CE2 4.14Å; L123-F132 HydrophobicContact CG-CZ 4.44Å; V129-F132 HydrophobicContact CB-CD2 4.13Å; V129-F132 WeakPolarHBondContact O-CD2 3.49Å; V129-F132 PolarHBondContact O-N 3Å; S130-F132 PolarHBondContact O-N 3.16Å; F132-L161 HydrophobicContact CB-CD2 3.72Å; F132-L161 HydrophobicContact CD2-CD2 4.43Å; F132-L161 HydrophobicContact CG-CD2 4.39Å
133L94.6Very high97.8Very high82 Ų8248.8 Ų48.843%0.42926%0.263SS..PPolyproline II helixtrans-94.9148.4173.4-62.7177.6000110.9S130 E131S130-L133 WeakPolarHBondContact O-CB 3.25Å; S130-L133 PolarHBondContact O-N 3.07Å; E131-L133 VanDerWaalsContact C-N 3.27Å
134P96.8Very high97.7Very high104 Ų10448.7 Ų48.768%0.67526%0.263SS*.SBendcis-66.91574.430.7-37.2000113
135H97.9Very high97.6Very high84 Ų8443.9 Ų43.939%0.38924%0.242SC..PPolyproline II helixtrans-46.5131.2-176.8-61.1-68.4000111.8L161 G163H135-L161 PolarHBondContact ND1-O 2.96Å; H135-G163 VanDerWaalsContact CG-CA 3.47Å; H135-G163 PolarHBondContact ND1-N 2.99Å
136P98.4Very high97.3Very high1 Ų145.2 Ų45.21%0.00625%0.248CC..PPolyproline II helixtrans-66154.1-179.729.3-36.1000110.4L70 F138 I139 T166L70-P136 HydrophobicContact CB-CB 4.03Å; L70-P136 HydrophobicContact CB-CG 3.98Å; L70-P136 HydrophobicContact CD2-CG 4.48Å; P136-F138 VanDerWaalsContact C-N 3.33Å; P136-F138 WeakPolarHBondContact CB-O 3.4Å; P136-I139 HydrophobicContact CG-CD1 4.17Å; P136-I139 HydrophobicContact CG-CG1 3.64Å; P136-T166 HydrophobicContact CG-CG2 4.37Å; P136-T166 VanDerWaalsContact O-CB 3.29Å; P136-T166 WeakPolarHBondContact O-CB 3.46Å; P136-T166 VanDerWaalsContact O-CG2 3.24Å; P136-T166 WeakPolarHBondContact O-CG2 3.32Å; P136-T166 PolarHBondContact O-OG1 2.99Å
137H98.8Very high96.9Very high78 Ų7847.2 Ų47.236%0.36124%0.241SC..SBendtrans-69.4-39.1173.3-5997.3000110.5K67 N68 T166 T167K67-H137 HydrophobicContact CB-CB 4.37Å; K67-H137 HydrophobicContact CD-CB 4.14Å; N68-H137 PolarHBondContact N-ND1 2.8Å; N68-H137 WeakPolarHBondContact O-CB 3.44Å; N68-H137 PolarHBondContact O-N 3.13Å; H137-T166 WeakPolarHBondContact O-CA 3.45Å; H137-T167 PolarHBondContact O-N 2.86Å
138F98.9Very high96.6Very high16 Ų1645.2 Ų45.27%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-129.4143176.1-60.2-86.1000112M63 W64 K67 N68 I69 L70 P136 L140 T167 I169M63-F138 HydrophobicContact CE-CE1 3.53Å; M63-F138 HydrophobicContact CE-CE2 4.4Å; M63-F138 HydrophobicContact CE-CZ 3.29Å; M63-F138 HydrophobicContact CG-CZ 4.39Å; W64-F138 HydrophobicContact CE3-CD2 4.41Å; W64-F138 HydrophobicContact CE3-CE2 4.41Å; W64-F138 HydrophobicContact CZ3-CD1 4.27Å; W64-F138 HydrophobicContact CZ3-CD2 4.15Å; W64-F138 HydrophobicContact CZ3-CE1 4.28Å; W64-F138 HydrophobicContact CZ3-CE2 4.15Å; W64-F138 HydrophobicContact CZ3-CG 4.23Å; W64-F138 HydrophobicContact CZ3-CZ 4.24Å; K67-F138 HydrophobicContact CB-CD2 4.24Å; K67-F138 HydrophobicContact CB-CE2 4.33Å; K67-F138 HydrophobicContact CD-CE2 4.22Å; K67-F138 HydrophobicContact CG-CD2 4.42Å; K67-F138 HydrophobicContact CG-CE2 4Å; N68-F138 PolarHBondContact O-N 3.49Å; I69-F138 WeakPolarHBondContact CA-O 3.38Å; I69-F138 HydrophobicContact CD1-CB 4.35Å; I69-F138 HydrophobicContact CD1-CD2 4.34Å; I69-F138 HydrophobicContact CG1-CB 4.07Å; I69-F138 HydrophobicContact CG1-CD2 4.26Å; I69-F138 HydrophobicContact CG2-CB 4.41Å; L70-F138 PolarHBondContact N-O 2.86Å; P136-F138 VanDerWaalsContact C-N 3.33Å; P136-F138 WeakPolarHBondContact CB-O 3.4Å; F138-L140 HydrophobicContact CB-CD2 4.48Å; F138-T167 WeakPolarHBondContact CA-O 3.46Å; F138-T167 HydrophobicContact CD1-CG2 4.41Å; F138-T167 HydrophobicContact CE1-CG2 4.39Å; F138-I169 HydrophobicContact CD1-CD1 4.01Å; F138-I169 HydrophobicContact CD1-CG1 4.26Å; F138-I169 HydrophobicContact CE1-CD1 4.47Å
139I98.9Very high96.4Very high0 Ų046.8 Ų46.80%024%0.236CC..EExtended strand (participates in β ladder)trans-111.3124.7163.7-60.8174.8000107.3L70 L72 P136 M141 L158 L161 V162 T166 T167 I168 I169L70-I139 CarbonylContact O-C 3.53Å; L70-I139 WeakPolarHBondContact O-CA 3.28Å; L72-I139 HydrophobicContact CD1-CG2 3.8Å; L72-I139 HydrophobicContact CG-CG2 3.88Å; P136-I139 HydrophobicContact CG-CD1 4.17Å; P136-I139 HydrophobicContact CG-CG1 3.64Å; I139-M141 HydrophobicContact CG2-CG 4.43Å; I139-L158 HydrophobicContact CD1-CD2 4.24Å; I139-L158 HydrophobicContact CG2-CD2 4.11Å; I139-L161 HydrophobicContact CD1-CB 3.62Å; I139-L161 HydrophobicContact CD1-CD1 4.37Å; I139-V162 HydrophobicContact CD1-CG2 3.77Å; I139-T166 HydrophobicContact CD1-CG2 3.99Å; I139-T166 HydrophobicContact CG1-CG2 3.93Å; I139-T167 PolarHBondContact N-O 2.81Å; I139-I168 HydrophobicContact CB-CB 4.36Å; I139-I168 HydrophobicContact CB-CG1 4.02Å; I139-I168 HydrophobicContact CB-CG2 4.29Å; I139-I168 HydrophobicContact CD1-CG1 4.24Å; I139-I168 HydrophobicContact CG2-CG2 4.33Å; I139-I168 CarbonylContact O-C 3.59Å; I139-I168 VanDerWaalsContact O-CA 3.27Å; I139-I168 WeakPolarHBondContact O-CA 3.49Å; I139-I169 PolarHBondContact O-N 2.97Å
140L98.9Very high96.2Very high0 Ų047.8 Ų47.80%024%0.243CC..EExtended strand (participates in β ladder)trans-102.8137.9176.6-55.7-177.4000109.5L49 I69 L70 E71 L72 V79 A83 F138 I169L49-L140 HydrophobicContact CD1-CD1 4.13Å; I69-L140 HydrophobicContact CG2-CD1 3.6Å; I69-L140 HydrophobicContact CG2-CG 3.63Å; L70-L140 PolarHBondContact O-N 3.19Å; E71-L140 WeakPolarHBondContact CA-O 3.19Å; E71-L140 HydrophobicContact CB-CB 4.37Å; E71-L140 HydrophobicContact CG-CB 4.23Å; L72-L140 PolarHBondContact N-O 3.02Å; V79-L140 HydrophobicContact CG1-CB 4.34Å; V79-L140 HydrophobicContact CG1-CD1 3.77Å; A83-L140 HydrophobicContact CB-CD1 4.09Å; F138-L140 HydrophobicContact CB-CD2 4.48Å; L140-I169 HydrophobicContact CD2-CB 3.83Å; L140-I169 HydrophobicContact CD2-CD1 3.98Å; L140-I169 HydrophobicContact CD2-CG1 4.13Å
141M98.5Very high96.2Very high1 Ų144.6 Ų44.61%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-140.9122.4176.4-7517052.800109.1L72 I139 C144 L154 L158 I168 I169 C170 C171 F187L72-M141 HydrophobicContact CB-CG 3.99Å; L72-M141 HydrophobicContact CD1-CG 4.37Å; L72-M141 HydrophobicContact CD1-SD 4.3Å; I139-M141 HydrophobicContact CG2-CG 4.43Å; M141-C144 HydrophobicContact CE-CB 3.81Å; M141-L154 HydrophobicContact CE-CD1 4.01Å; M141-L154 HydrophobicContact CE-CD2 3.78Å; M141-L154 HydrophobicContact CE-CG 4.27Å; M141-L154 HydrophobicContact SD-CD1 4.3Å; M141-L158 HydrophobicContact SD-CD1 4.06Å; M141-L158 HydrophobicContact SD-CD2 3.85Å; M141-L158 HydrophobicContact SD-CG 4.45Å; M141-I168 HydrophobicContact SD-CG2 4.04Å; M141-I169 PolarHBondContact N-O 2.88Å; M141-I169 VanDerWaalsContact N-O 3.07Å; M141-C170 HydrophobicContact CB-CB 4.5Å; M141-C171 PolarHBondContact O-N 3.24Å; M141-F187 HydrophobicContact CE-CZ 4.4Å
142A98.5Very high96.3Very high13 Ų1345.7 Ų45.711%0.10722%0.224CC..EExtended strand (participates in β ladder)trans-117.7116.317300000110A42 L45 V79 C144 C171A42-A142 HydrophobicContact CB-CB 3.87Å; L45-A142 HydrophobicContact CD2-CB 4.23Å; V79-A142 HydrophobicContact CG2-CB 4Å; A142-C144 VanDerWaalsContact C-N 3.31Å; A142-C144 PolarHBondContact O-N 3.08Å; A142-C171 CarbonylContact C-O 3.58Å; A142-C171 WeakPolarHBondContact CA-O 3.41Å
143D96.5Very high96.3Very high11 Ų1147 Ų476%0.05923%0.234CC..SBendtrans5832.4174.6-142.120.6000116.1W39 A41 I145 Y146 C171 E173 R175W39-D143 HydrophobicContact CB-CB 4.39Å; A41-D143 HydrophobicContact CB-CB 4.04Å; D143-I145 VanDerWaalsContact C-N 3.27Å; D143-I145 PolarHBondContact O-N 3.22Å; D143-Y146 VanDerWaalsContact O-CD1 3.28Å; D143-Y146 WeakPolarHBondContact O-CD1 3.27Å; D143-C171 PolarHBondContact N-O 3.44Å; D143-E173 PolarHBondContact OD1-N 2.79Å; D143-R175 IonicContact OD1-CZ 2.83Å; D143-R175 IonicContact OD1-NH1 3.47Å; D143-R175 PolarHBondContact OD1-NH1 2.73Å; D143-R175 IonicContact OD1-NH2 3.33Å; D143-R175 IonicContact OD2-CZ 3.72Å; D143-R175 IonicContact OD2-NH1 2.74Å; D143-R175 PolarHBondContact OD2-NH1 3.45Å; D143-R175 IonicContact OD2-NH2 3.14Å; D143-R175 PolarHBondContact OD2-NH2 3.04Å
144C96.6Very high96.5Very high5 Ų543.2 Ų43.23%0.03421%0.214CC..  trans-78.8-1.9-177.6-56.70000114.9L72 W125 M141 A142 L154L72-C144 PolarHBondContact O-SG 3.43Å; W125-C144 HydrophobicContact CH2-CB 3.62Å; W125-C144 HydrophobicContact CZ2-CB 4Å; M141-C144 HydrophobicContact CE-CB 3.81Å; A142-C144 VanDerWaalsContact C-N 3.31Å; A142-C144 PolarHBondContact O-N 3.08Å; C144-L154 HydrophobicContact CB-CD2 4.21Å
145I95.8Very high96.6Very high10 Ų1038.4 Ų38.45%0.05118%0.182CC..  trans-109.681.5-169.6-51.6164.1000110.1D143 Y172 V183 F187D143-I145 VanDerWaalsContact C-N 3.27Å; D143-I145 PolarHBondContact O-N 3.22Å; I145-Y172 HydrophobicContact CD1-CD1 4.05Å; I145-Y172 HydrophobicContact CD1-CD2 4.47Å; I145-Y172 HydrophobicContact CD1-CG 4.01Å; I145-V183 HydrophobicContact CG2-CG1 4.25Å; I145-F187 HydrophobicContact CD1-CD1 3.56Å; I145-F187 HydrophobicContact CD1-CE1 3.43Å; I145-F187 VanDerWaalsContact CD1-CE1 3.43Å; I145-F187 HydrophobicContact CD1-CG 4.23Å; I145-F187 HydrophobicContact CD1-CZ 4.02Å; I145-F187 HydrophobicContact CG1-CD1 4.04Å; I145-F187 HydrophobicContact CG1-CD2 4.41Å; I145-F187 HydrophobicContact CG1-CE1 4.06Å; I145-F187 HydrophobicContact CG1-CE2 4.44Å; I145-F187 HydrophobicContact CG1-CG 4.21Å; I145-F187 HydrophobicContact CG1-CZ 4.26Å; I145-F187 HydrophobicContact CG2-CB 3.89Å; I145-F187 HydrophobicContact CG2-CD1 4.23Å; I145-F187 HydrophobicContact CG2-CG 4.03Å
146Y90.8Very high96.6Very high67 Ų6738.3 Ų38.326%0.26318%0.182SC..  trans-150.7-27.5-175.267.3-76.8000115.7V34 D143V34-Y146 HydrophobicContact CG2-CE2 3.87Å; V34-Y146 WeakPolarHBondContact CG2-OH 3.47Å; D143-Y146 VanDerWaalsContact O-CD1 3.28Å; D143-Y146 WeakPolarHBondContact O-CD1 3.27Å
147Y89.7Confident96.6Very high90 Ų9038.3 Ų38.335%0.35318%0.182SC..  trans-101.3126.1173.2-68.9-45.7000112.5V34 Q149 S150V34-Y147 HydrophobicContact CG2-CE2 4.45Å; Y147-Q149 VanDerWaalsContact C-N 3.26Å; Y147-Q149 PolarHBondContact O-N 2.9Å; Y147-S150 WeakPolarHBondContact O-CB 3.37Å; Y147-S150 PolarHBondContact O-N 3.4Å
148E91.3Very high96.6Very high67 Ų6734.6 Ų34.631%0.31317%0.165SC..Hα-helixtrans-57-39.2-180-174.3171.8-171.900112.4S150 V151 K182 V183E148-S150 PolarHBondContact O-N 3.31Å; E148-V151 PolarHBondContact O-N 2.9Å; E148-K182 IonicContact OE1-NZ 2.7Å; E148-K182 PolarHBondContact OE1-NZ 2.95Å; E148-K182 IonicContact OE2-NZ 3.6Å; E148-V183 HydrophobicContact CB-CG2 3.9Å
149Q94Very high96.5Very high149 Ų14936.1 Ų36.170%0.69617%0.171SC*.Hα-helixtrans-67.6-25.2-178.4-57.580.4500112.2Y147 P153Y147-Q149 VanDerWaalsContact C-N 3.26Å; Y147-Q149 PolarHBondContact O-N 2.9Å; Q149-P153 VanDerWaalsContact O-CD 3.26Å; Q149-P153 WeakPolarHBondContact O-CD 3.25Å
150S94.1Very high96.5Very high32 Ų3241.4 Ų41.422%0.22420%0.196CC..Hα-helixtrans-86.6-15.9-177-58.90000113.2Y147 E148 P153 L154Y147-S150 WeakPolarHBondContact O-CB 3.37Å; Y147-S150 PolarHBondContact O-N 3.4Å; E148-S150 PolarHBondContact O-N 3.31Å; S150-P153 WeakPolarHBondContact O-CD 3.47Å; S150-L154 WeakPolarHBondContact O-CB 3.37Å; S150-L154 PolarHBondContact O-N 3.23Å
151V97.1Very high96.4Very high4 Ų441.4 Ų41.42%0.02420%0.196CC..Hα-helixtrans-59-55.2-174.6175.80000112.4E148 L154 V155 V183 Q186 F187 L190E148-V151 PolarHBondContact O-N 2.9Å; V151-L154 PolarHBondContact O-N 3.29Å; V151-V155 WeakPolarHBondContact O-CG2 3.23Å; V151-V155 PolarHBondContact O-N 3.43Å; V151-V155 VanDerWaalsContact O-N 3.07Å; V151-V183 HydrophobicContact CG2-CG1 3.64Å; V151-Q186 HydrophobicContact CG1-CG 4.13Å; V151-F187 HydrophobicContact CG1-CB 3.94Å; V151-F187 HydrophobicContact CG1-CD2 4.42Å; V151-L190 HydrophobicContact CG1-CD1 3.89Å
152K97.9Very high96.4Very high133 Ų13341.4 Ų41.458%0.57820%0.196SC*.Hα-helixtrans-63.8-49.4-178.7-69.3178.8179.7-178.30111.8L154 V155 E156 L190K152-L154 VanDerWaalsContact C-N 3.32Å; K152-L154 PolarHBondContact O-N 3.07Å; K152-V155 PolarHBondContact O-N 3.14Å; K152-E156 WeakPolarHBondContact O-CG 3.32Å; K152-E156 PolarHBondContact O-N 2.74Å; K152-L190 HydrophobicContact CG-CD1 3.8Å
153P98.5Very high96.3Very high41 Ų4141 Ų4127%0.26619%0.192SC..Hα-helixtrans-55.9-42.5175.6-26.434.1000113.9W125 G126 Q149 S150 E156 T157W125-P153 HydrophobicContact CB-CB 3.95Å; W125-P153 WeakPolarHBondContact O-CB 3.47Å; G126-P153 PolarHBondContact N-O 3.47Å; Q149-P153 VanDerWaalsContact O-CD 3.26Å; Q149-P153 WeakPolarHBondContact O-CD 3.25Å; S150-P153 WeakPolarHBondContact O-CD 3.47Å; P153-E156 PolarHBondContact O-N 2.98Å; P153-T157 WeakPolarHBondContact O-CB 3.49Å; P153-T157 PolarHBondContact O-N 3.4Å; P153-T157 PolarHBondContact O-OG1 2.7Å
154L98.6Very high96.2Very high2 Ų245.9 Ų45.91%0.0123%0.225CC..Hα-helixtrans-62.3-49178.6176.158.6000111.8L72 W125 M141 C144 S150 V151 K152 E156 T157 L158 F187L72-L154 HydrophobicContact CD1-CD1 4.24Å; W125-L154 HydrophobicContact CD2-CB 4.11Å; W125-L154 HydrophobicContact CD2-CD1 3.81Å; W125-L154 HydrophobicContact CD2-CG 4.46Å; W125-L154 HydrophobicContact CE3-CB 3.78Å; W125-L154 HydrophobicContact CE3-CD1 4.12Å; W125-L154 HydrophobicContact CE3-CD2 4.41Å; W125-L154 HydrophobicContact CE3-CG 4.32Å; W125-L154 HydrophobicContact CG-CB 4.46Å; W125-L154 HydrophobicContact CG-CD1 4.2Å; W125-L154 HydrophobicContact CH2-CD1 4.46Å; W125-L154 HydrophobicContact CH2-CD2 4.43Å; W125-L154 HydrophobicContact CZ2-CD1 4.16Å; W125-L154 HydrophobicContact CZ3-CB 4.33Å; W125-L154 HydrophobicContact CZ3-CD1 4.43Å; W125-L154 HydrophobicContact CZ3-CD2 4.17Å; M141-L154 HydrophobicContact CE-CD1 4.01Å; M141-L154 HydrophobicContact CE-CD2 3.78Å; M141-L154 HydrophobicContact CE-CG 4.27Å; M141-L154 HydrophobicContact SD-CD1 4.3Å; C144-L154 HydrophobicContact CB-CD2 4.21Å; S150-L154 WeakPolarHBondContact O-CB 3.37Å; S150-L154 PolarHBondContact O-N 3.23Å; V151-L154 PolarHBondContact O-N 3.29Å; K152-L154 VanDerWaalsContact C-N 3.32Å; K152-L154 PolarHBondContact O-N 3.07Å; L154-E156 VanDerWaalsContact C-N 3.32Å; L154-E156 PolarHBondContact O-N 2.76Å; L154-T157 WeakPolarHBondContact O-CB 3.31Å; L154-T157 PolarHBondContact O-N 3.32Å; L154-L158 HydrophobicContact CD1-CD1 4.48Å; L154-L158 HydrophobicContact CD1-CG 4.45Å; L154-L158 HydrophobicContact CG-CD1 4.44Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 3.27Å; L154-F187 HydrophobicContact CD2-CD2 4.23Å; L154-F187 HydrophobicContact CD2-CE2 3.76Å; L154-F187 HydrophobicContact CG-CE2 4.14Å
155V98.4Very high96.2Very high3 Ų353.5 Ų53.52%0.01826%0.26CS..Hα-helixtrans-61.4-41.8179170.20000111V151 K152 L158 K159 F187 L190 L191V151-V155 WeakPolarHBondContact O-CG2 3.23Å; V151-V155 PolarHBondContact O-N 3.43Å; V151-V155 VanDerWaalsContact O-N 3.07Å; K152-V155 PolarHBondContact O-N 3.14Å; V155-L158 PolarHBondContact O-N 2.93Å; V155-K159 WeakPolarHBondContact O-CG 3.41Å; V155-K159 PolarHBondContact O-N 2.74Å; V155-F187 HydrophobicContact CG2-CD2 3.77Å; V155-F187 HydrophobicContact CG2-CE2 3.84Å; V155-L190 HydrophobicContact CG1-CB 4.22Å; V155-L190 HydrophobicContact CG2-CB 4.16Å; V155-L191 HydrophobicContact CG2-CB 4.45Å
156E98.2Very high96.3Very high81 Ų8153.2 Ų53.238%0.37926%0.259SS..Hα-helixtrans-64.7-42.1175.8-70.7-57.7128.500112.1K152 P153 L154 L158 K159 H160K152-E156 WeakPolarHBondContact O-CG 3.32Å; K152-E156 PolarHBondContact O-N 2.74Å; P153-E156 PolarHBondContact O-N 2.98Å; L154-E156 VanDerWaalsContact C-N 3.32Å; L154-E156 PolarHBondContact O-N 2.76Å; E156-L158 VanDerWaalsContact C-N 3.33Å; E156-L158 PolarHBondContact O-N 3.28Å; E156-K159 PolarHBondContact O-N 3.42Å; E156-K159 IonicContact OE1-NZ 3.59Å; E156-K159 PolarHBondContact OE1-NZ 3.24Å; E156-K159 VanDerWaalsContact OE1-NZ 3.14Å; E156-H160 PolarHBondContact O-N 3.24Å; E156-H160 PolarHBondContact O-ND1 3.42Å; E156-H160 IonicContact OE2-CE1 3.4Å
157T98.6Very high96.7Very high2 Ų250.5 Ų50.51%0.01225%0.249CC..Hα-helixtrans-56.9-45.5173.1-74.90000111.7L72 L123 W125 G126 V129 P153 L154 K159 H160 L161L72-T157 HydrophobicContact CD1-CG2 4.16Å; L72-T157 HydrophobicContact CD2-CG2 4.41Å; L123-T157 HydrophobicContact CD2-CG2 4.25Å; W125-T157 WeakPolarHBondContact CA-OG1 3.44Å; G126-T157 PolarHBondContact N-OG1 3.31Å; V129-T157 HydrophobicContact CG1-CG2 4.1Å; P153-T157 WeakPolarHBondContact O-CB 3.49Å; P153-T157 PolarHBondContact O-N 3.4Å; P153-T157 PolarHBondContact O-OG1 2.7Å; L154-T157 WeakPolarHBondContact O-CB 3.31Å; L154-T157 PolarHBondContact O-N 3.32Å; T157-K159 PolarHBondContact O-N 3.25Å; T157-H160 PolarHBondContact O-N 3.44Å; T157-L161 HydrophobicContact CG2-CD1 3.43Å; T157-L161 VanDerWaalsContact CG2-CD1 3.43Å; T157-L161 HydrophobicContact CG2-CG 4.34Å; T157-L161 WeakPolarHBondContact O-CB 3.47Å; T157-L161 WeakPolarHBondContact O-CG 3.33Å; T157-L161 PolarHBondContact O-N 2.81Å
158L98.5Very high97.1Very high0 Ų046.2 Ų46.20%023%0.232CC..Hα-helixtrans-60.9-41.2177-68.2172.8000112.4L72 I139 M141 L154 V155 E156 H160 L161 V162 I168 F187 L191 F195L72-L158 HydrophobicContact CD1-CD2 3.69Å; L72-L158 HydrophobicContact CD1-CG 4.49Å; I139-L158 HydrophobicContact CD1-CD2 4.24Å; I139-L158 HydrophobicContact CG2-CD2 4.11Å; M141-L158 HydrophobicContact SD-CD1 4.06Å; M141-L158 HydrophobicContact SD-CD2 3.85Å; M141-L158 HydrophobicContact SD-CG 4.45Å; L154-L158 HydrophobicContact CD1-CD1 4.48Å; L154-L158 HydrophobicContact CD1-CG 4.45Å; L154-L158 HydrophobicContact CG-CD1 4.44Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 3.27Å; V155-L158 PolarHBondContact O-N 2.93Å; E156-L158 VanDerWaalsContact C-N 3.33Å; E156-L158 PolarHBondContact O-N 3.28Å; L158-H160 VanDerWaalsContact C-N 3.26Å; L158-H160 PolarHBondContact O-N 2.84Å; L158-L161 PolarHBondContact O-N 3.29Å; L158-V162 WeakPolarHBondContact O-CB 3.48Å; L158-V162 VanDerWaalsContact O-CG2 3.26Å; L158-V162 WeakPolarHBondContact O-CG2 3.25Å; L158-V162 PolarHBondContact O-N 3.1Å; L158-I168 HydrophobicContact CB-CD1 4.47Å; L158-I168 HydrophobicContact CD1-CD1 4.25Å; L158-I168 HydrophobicContact CD2-CD1 3.85Å; L158-I168 HydrophobicContact CD2-CG1 4.18Å; L158-I168 HydrophobicContact CG-CD1 4.42Å; L158-F187 HydrophobicContact CD1-CE2 4.46Å; L158-F187 HydrophobicContact CD1-CZ 4.47Å; L158-L191 HydrophobicContact CD1-CD1 3.88Å; L158-F195 HydrophobicContact CB-CE2 4.45Å; L158-F195 HydrophobicContact CB-CZ 4.24Å
159K97.5Very high97.5Very high47 Ų4743 Ų4320%0.20422%0.217CC..Hα-helixtrans-59.2-35.6177.4-71.1179.6-165-170.70113.4V155 E156 T157 D194 F195 R221V155-K159 WeakPolarHBondContact O-CG 3.41Å; V155-K159 PolarHBondContact O-N 2.74Å; E156-K159 PolarHBondContact O-N 3.42Å; E156-K159 IonicContact OE1-NZ 3.59Å; E156-K159 PolarHBondContact OE1-NZ 3.24Å; E156-K159 VanDerWaalsContact OE1-NZ 3.14Å; T157-K159 PolarHBondContact O-N 3.25Å; K159-D194 WeakPolarHBondContact CE-OD2 2.92Å; K159-D194 IonicContact NZ-OD2 3.91Å; K159-D194 PolarHBondContact NZ-OD2 2.9Å; K159-F195 HydrophobicContact CG-CE2 3.84Å; K159-F195 HydrophobicContact CG-CZ 4.12Å; K159-R221 PolarHBondContact O-NH2 3.05Å
160H97.7Very high97.7Very high112 Ų11236 Ų3652%0.51919%0.185SC..Hα-helixtrans-83.7-29.3-179.9-6591.6000112.6V129 E156 T157 L158V129-H160 HydrophobicContact CG2-CB 3.37Å; E156-H160 PolarHBondContact O-N 3.24Å; E156-H160 PolarHBondContact O-ND1 3.42Å; E156-H160 IonicContact OE2-CE1 3.4Å; T157-H160 PolarHBondContact O-N 3.44Å; L158-H160 VanDerWaalsContact C-N 3.26Å; L158-H160 PolarHBondContact O-N 2.84Å
161L98.2Very high97.9Very high0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-83.4-35.2-179.3-73.1168000113.8L70 L72 L123 V129 F132 H135 I139 T157 L158 G163L70-L161 HydrophobicContact CD2-CD1 3.63Å; L70-L161 HydrophobicContact CD2-CD2 3.56Å; L70-L161 HydrophobicContact CD2-CG 4.18Å; L72-L161 HydrophobicContact CD1-CD1 4.2Å; L72-L161 HydrophobicContact CD2-CD1 4.01Å; L123-L161 HydrophobicContact CD2-CD1 4.41Å; V129-L161 HydrophobicContact CB-CD2 3.7Å; V129-L161 HydrophobicContact CB-CG 3.99Å; V129-L161 HydrophobicContact CG1-CD1 4.31Å; V129-L161 HydrophobicContact CG1-CD2 4.15Å; V129-L161 HydrophobicContact CG1-CG 3.99Å; V129-L161 HydrophobicContact CG2-CD2 4.09Å; V129-L161 HydrophobicContact CG2-CG 4.18Å; F132-L161 HydrophobicContact CB-CD2 3.72Å; F132-L161 HydrophobicContact CD2-CD2 4.43Å; F132-L161 HydrophobicContact CG-CD2 4.39Å; H135-L161 PolarHBondContact ND1-O 2.96Å; I139-L161 HydrophobicContact CD1-CB 3.62Å; I139-L161 HydrophobicContact CD1-CD1 4.37Å; T157-L161 HydrophobicContact CG2-CD1 3.43Å; T157-L161 VanDerWaalsContact CG2-CD1 3.43Å; T157-L161 HydrophobicContact CG2-CG 4.34Å; T157-L161 WeakPolarHBondContact O-CB 3.47Å; T157-L161 WeakPolarHBondContact O-CG 3.33Å; T157-L161 PolarHBondContact O-N 2.81Å; L158-L161 PolarHBondContact O-N 3.29Å; L161-G163 PolarHBondContact O-N 2.89Å
162V98.1Very high98Very high1 Ų134.7 Ų34.71%0.00618%0.175CC..  trans-75.9115.3-174173.50000111.3I139 L158 T166 I168 F195 R221I139-V162 HydrophobicContact CD1-CG2 3.77Å; L158-V162 WeakPolarHBondContact O-CB 3.48Å; L158-V162 VanDerWaalsContact O-CG2 3.26Å; L158-V162 WeakPolarHBondContact O-CG2 3.25Å; L158-V162 PolarHBondContact O-N 3.1Å; V162-T166 HydrophobicContact CB-CG2 4.37Å; V162-T166 HydrophobicContact CG1-CG2 4.32Å; V162-T166 HydrophobicContact CG2-CG2 4.1Å; V162-I168 HydrophobicContact CG2-CD1 3.67Å; V162-I168 HydrophobicContact CG2-CG1 3.78Å; V162-F195 HydrophobicContact CB-CE1 3.8Å; V162-F195 HydrophobicContact CB-CZ 4.32Å; V162-F195 HydrophobicContact CG1-CE1 3.79Å; V162-F195 HydrophobicContact CG2-CE1 3.81Å; V162-F195 HydrophobicContact CG2-CZ 4.25Å; V162-R221 HydrophobicContact CG1-CB 4.15Å; V162-R221 PolarHBondContact O-NE 2.8Å; V162-R221 PolarHBondContact O-NH2 3.01Å
163G96.5Very high98Very high3 Ų331.3 Ų31.33%0.03116%0.161CC..  trans-85.9-178167.100000112.7H135 L161 E165 T166H135-G163 VanDerWaalsContact CG-CA 3.47Å; H135-G163 PolarHBondContact ND1-N 2.99Å; L161-G163 PolarHBondContact O-N 2.89Å; G163-E165 VanDerWaalsContact C-N 3.28Å; G163-E165 PolarHBondContact O-N 2.79Å; G163-T166 PolarHBondContact N-OG1 2.71Å; G163-T166 PolarHBondContact O-N 3.12Å
164P94.6Very high97.9Very high115 Ų11531.8 Ų31.875%0.74716%0.16SC*.THydrogen-bonded Turntrans-58.3-35.6179.5-25.835.2000114.3
165E95.8Very high97.7Very high165 Ų16533.7 Ų33.777%0.77117%0.166SC*.THydrogen-bonded Turntrans-100.8-2.2-176.9-59.4-57.8135.500113.3G163 T167G163-E165 VanDerWaalsContact C-N 3.28Å; G163-E165 PolarHBondContact O-N 2.79Å; E165-T167 PolarHBondContact O-N 2.81Å
166T98.5Very high97.4Very high4 Ų439.2 Ų39.23%0.02520%0.2CC..  trans-72.9130.1-177.6-57.50000110.1P136 H137 I139 V162 G163P136-T166 HydrophobicContact CG-CG2 4.37Å; P136-T166 VanDerWaalsContact O-CB 3.29Å; P136-T166 WeakPolarHBondContact O-CB 3.46Å; P136-T166 VanDerWaalsContact O-CG2 3.24Å; P136-T166 WeakPolarHBondContact O-CG2 3.32Å; P136-T166 PolarHBondContact O-OG1 2.99Å; H137-T166 WeakPolarHBondContact O-CA 3.45Å; I139-T166 HydrophobicContact CD1-CG2 3.99Å; I139-T166 HydrophobicContact CG1-CG2 3.93Å; V162-T166 HydrophobicContact CB-CG2 4.37Å; V162-T166 HydrophobicContact CG1-CG2 4.32Å; V162-T166 HydrophobicContact CG2-CG2 4.1Å; G163-T166 PolarHBondContact N-OG1 2.71Å; G163-T166 PolarHBondContact O-N 3.12Å
167T98.6Very high97Very high9 Ų940.1 Ų40.16%0.05521%0.211CC..EExtended strand (participates in β ladder)trans-109.9125169.8-61.10000109.8H137 F138 I139 E165 I169 H218 R220H137-T167 PolarHBondContact O-N 2.86Å; F138-T167 WeakPolarHBondContact CA-O 3.46Å; F138-T167 HydrophobicContact CD1-CG2 4.41Å; F138-T167 HydrophobicContact CE1-CG2 4.39Å; I139-T167 PolarHBondContact N-O 2.81Å; E165-T167 PolarHBondContact O-N 2.81Å; T167-I169 HydrophobicContact CG2-CG1 4.46Å; T167-H218 HydrophobicContact CG2-CB 4.33Å; T167-R220 HydrophobicContact CG2-CG 4.33Å; T167-R220 PolarHBondContact OG1-NE 3Å
168I98.8Very high96.8Very high0 Ų043.7 Ų43.70%025%0.249CC..EExtended strand (participates in β ladder)trans-84.6132.4167.6-51.7153.2000107.8I139 M141 L158 V162 C170 F195 H218 I219I139-I168 HydrophobicContact CB-CB 4.36Å; I139-I168 HydrophobicContact CB-CG1 4.02Å; I139-I168 HydrophobicContact CB-CG2 4.29Å; I139-I168 HydrophobicContact CD1-CG1 4.24Å; I139-I168 HydrophobicContact CG2-CG2 4.33Å; I139-I168 CarbonylContact O-C 3.59Å; I139-I168 VanDerWaalsContact O-CA 3.27Å; I139-I168 WeakPolarHBondContact O-CA 3.49Å; M141-I168 HydrophobicContact SD-CG2 4.04Å; L158-I168 HydrophobicContact CB-CD1 4.47Å; L158-I168 HydrophobicContact CD1-CD1 4.25Å; L158-I168 HydrophobicContact CD2-CD1 3.85Å; L158-I168 HydrophobicContact CD2-CG1 4.18Å; L158-I168 HydrophobicContact CG-CD1 4.42Å; V162-I168 HydrophobicContact CG2-CD1 3.67Å; V162-I168 HydrophobicContact CG2-CG1 3.78Å; I168-C170 HydrophobicContact CG2-CB 4.32Å; I168-F195 HydrophobicContact CD1-CE1 4.44Å; I168-H218 WeakPolarHBondContact O-CA 3.36Å; I168-I219 HydrophobicContact CB-CB 4.08Å; I168-I219 HydrophobicContact CD1-CB 4.12Å; I168-I219 HydrophobicContact CD1-CG2 3.99Å; I168-I219 HydrophobicContact CG2-CD1 4.35Å; I168-I219 PolarHBondContact N-O 3.29Å; I168-I219 PolarHBondContact O-N 3.48Å
169I98.9Very high96.5Very high0 Ų047.9 Ų47.90%027%0.274CS..EExtended strand (participates in β ladder)trans-108.2103.4167-50.2179.6000106.6L45 Y48 L49 W64 F138 I139 L140 M141 T167 I216 L217L45-I169 HydrophobicContact CD1-CB 4.5Å; L45-I169 HydrophobicContact CD1-CG2 3.55Å; Y48-I169 HydrophobicContact CD1-CG2 4.32Å; Y48-I169 HydrophobicContact CE1-CG2 4.07Å; L49-I169 HydrophobicContact CD2-CD1 4.43Å; W64-I169 HydrophobicContact CH2-CD1 3.78Å; W64-I169 HydrophobicContact CZ3-CD1 4.19Å; F138-I169 HydrophobicContact CD1-CD1 4.01Å; F138-I169 HydrophobicContact CD1-CG1 4.26Å; F138-I169 HydrophobicContact CE1-CD1 4.47Å; I139-I169 PolarHBondContact O-N 2.97Å; L140-I169 HydrophobicContact CD2-CB 3.83Å; L140-I169 HydrophobicContact CD2-CD1 3.98Å; L140-I169 HydrophobicContact CD2-CG1 4.13Å; M141-I169 PolarHBondContact N-O 2.88Å; M141-I169 VanDerWaalsContact N-O 3.07Å; T167-I169 HydrophobicContact CG2-CG1 4.46Å; I169-I216 HydrophobicContact CG2-CG2 3.97Å; I169-L217 WeakPolarHBondContact CA-O 3.33Å
170C98.8Very high96.3Very high1 Ų147.1 Ų47.11%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-103.8119.2-178.8177.60000109.2M141 I168 I216 L217 I219M141-C170 HydrophobicContact CB-CB 4.5Å; I168-C170 HydrophobicContact CG2-CB 4.32Å; C170-I216 CarbonylContact O-C 3.6Å; C170-I216 WeakPolarHBondContact O-CA 3.25Å; C170-L217 HydrophobicContact CB-CB 4.43Å; C170-L217 PolarHBondContact N-O 3.09Å; C170-L217 PolarHBondContact O-N 3.25Å; C170-I219 HydrophobicContact CB-CD1 3.63Å
171C98.8Very high96.2Very high0 Ų044.5 Ų44.50%027%0.265CS..EExtended strand (participates in β ladder)trans-113.2129.4172.4-171.50000109.1A41 L45 M141 A142 D143 I214 R215 I216A41-C171 PolarHBondContact O-SG 2.89Å; L45-C171 HydrophobicContact CB-CB 3.67Å; L45-C171 HydrophobicContact CD1-CB 4.17Å; L45-C171 HydrophobicContact CD2-CB 3.84Å; L45-C171 HydrophobicContact CG-CB 4.09Å; M141-C171 PolarHBondContact O-N 3.24Å; A142-C171 CarbonylContact C-O 3.58Å; A142-C171 WeakPolarHBondContact CA-O 3.41Å; D143-C171 PolarHBondContact N-O 3.44Å; C171-I214 WeakPolarHBondContact SG-CG2 3.31Å; C171-R215 CarbonylContact C-O 3.59Å; C171-R215 VanDerWaalsContact CA-O 3.22Å; C171-R215 WeakPolarHBondContact CA-O 3.41Å; C171-I216 HydrophobicContact CB-CG1 4.37Å
172Y98.3Very high96.1Very high10 Ų1050.1 Ų50.14%0.03929%0.29CS..EExtended strand (participates in β ladder)trans-150.1152.4177.374.7-77.8000111.4I145 Q174 E184 F188 I214 R215 L217I145-Y172 HydrophobicContact CD1-CD1 4.05Å; I145-Y172 HydrophobicContact CD1-CD2 4.47Å; I145-Y172 HydrophobicContact CD1-CG 4.01Å; Y172-Q174 HydrophobicContact CE2-CB 4.25Å; Y172-E184 HydrophobicContact CE2-CG 4Å; Y172-E184 PolarHBondContact OH-OE1 3.12Å; Y172-F188 HydrophobicContact CE1-CE2 4.19Å; Y172-F188 AromaticContact CE1-CZ 3.78Å; Y172-F188 HydrophobicContact CE1-CZ 3.78Å; Y172-F188 AromaticContact CZ-CE2 3.83Å; Y172-F188 AromaticContact CZ-CZ 3.91Å; Y172-F188 WeakPolarHBondContact OH-CE2 3.19Å; Y172-I214 WeakPolarHBondContact O-CA 3.5Å; Y172-R215 HydrophobicContact CD1-CB 4.02Å; Y172-R215 HydrophobicContact CE1-CB 3.56Å; Y172-R215 HydrophobicContact CE1-CG 3.98Å; Y172-R215 HydrophobicContact CE2-CG 4.36Å; Y172-R215 PolarHBondContact N-O 3.11Å; Y172-R215 PolarHBondContact O-N 3.21Å; Y172-L217 HydrophobicContact CE1-CD1 3.83Å; Y172-L217 HydrophobicContact CE1-CG 4.47Å
173E97.8Very high96Very high62 Ų6250.1 Ų50.129%0.2929%0.29SS..EExtended strand (participates in β ladder)trans-85.1122.9170.4-172-169.5164.400109.5D143 R175 D213 I214D143-E173 PolarHBondContact OD1-N 2.79Å; E173-R175 HydrophobicContact CG-CG 4.41Å; E173-R175 PolarHBondContact O-N 3.48Å; E173-R175 IonicContact OE2-CZ 3.53Å; E173-R175 IonicContact OE2-NE 3.65Å; E173-R175 PolarHBondContact OE2-NE 3.36Å; E173-R175 IonicContact OE2-NH2 2.73Å; E173-R175 PolarHBondContact OE2-NH2 2.85Å; E173-D213 CarbonylContact C-O 3.55Å; E173-D213 WeakPolarHBondContact CA-O 3.49Å; E173-I214 HydrophobicContact CB-CG1 4.2Å; E173-I214 HydrophobicContact CG-CG1 4.2Å
174Q96.4Very high96.1Very high51 Ų5151.3 Ų51.324%0.23829%0.294CS..  trans-72114.6173.5174.9163.765.900109.8Y172 E184 D213 R215Y172-Q174 HydrophobicContact CE2-CB 4.25Å; Q174-E184 PolarHBondContact NE2-OE1 3.39Å; Q174-D213 PolarHBondContact N-O 3.04Å; Q174-R215 HydrophobicContact CB-CG 4.48Å
175R94.6Very high96.2Very high41 Ų4152 Ų5216%0.15529%0.285CS..  trans-108.9120-178.2-66.8179.9-177.796.9-2.3110.8D143 E173 N180 P181D143-R175 IonicContact OD1-CZ 2.83Å; D143-R175 IonicContact OD1-NH1 3.47Å; D143-R175 PolarHBondContact OD1-NH1 2.73Å; D143-R175 IonicContact OD1-NH2 3.33Å; D143-R175 IonicContact OD2-CZ 3.72Å; D143-R175 IonicContact OD2-NH1 2.74Å; D143-R175 PolarHBondContact OD2-NH1 3.45Å; D143-R175 IonicContact OD2-NH2 3.14Å; D143-R175 PolarHBondContact OD2-NH2 3.04Å; E173-R175 HydrophobicContact CG-CG 4.41Å; E173-R175 PolarHBondContact O-N 3.48Å; E173-R175 IonicContact OE2-CZ 3.53Å; E173-R175 IonicContact OE2-NE 3.65Å; E173-R175 PolarHBondContact OE2-NE 3.36Å; E173-R175 IonicContact OE2-NH2 2.73Å; E173-R175 PolarHBondContact OE2-NH2 2.85Å; R175-N180 HydrophobicContact CB-CB 3.65Å; R175-N180 WeakPolarHBondContact O-CB 3.36Å; R175-P181 WeakPolarHBondContact O-CD 3.26Å; R175-P181 WeakPolarHBondContact O-CG 3.5Å
176T92.3Very high96.3Very high119 Ų11946 Ų4673%0.7326%0.257SS*.  trans-90-1.2-175.456.50000114.2P181T176-P181 WeakPolarHBondContact O-CG 3.49Å
177V90.8Very high96.3Very high101 Ų10145.9 Ų45.961%0.61226%0.256SS*.SBendtrans-110.4150-173.4-59.20000113.1N180V177-N180 PolarHBondContact O-ND2 3.2Å; V177-N180 VanDerWaalsContact O-ND2 3.12Å
178G92.8Very high96.3Very high77 Ų7747 Ų4779%0.79426%0.261SS*.THydrogen-bonded Turntrans66.2-136.617500000112.8
179V92.6Very high96.2Very high87 Ų8752.1 Ų52.153%0.52729%0.285SS..THydrogen-bonded Turntrans-82.4-14.1-178.7-62.60000113.3K182 V183V179-K182 WeakPolarHBondContact O-CB 3.39Å; V179-K182 PolarHBondContact O-N 2.95Å; V179-V183 HydrophobicContact CG2-CG2 4.39Å; V179-V183 WeakPolarHBondContact O-CG2 3.49Å; V179-V183 PolarHBondContact O-N 3.29Å; V179-V183 VanDerWaalsContact O-N 3.08Å
180N93.2Very high96.2Very high32 Ų3254.1 Ų54.117%0.17130%0.295CS..Hα-helixtrans-57.4-42.2-171.6-64.3-65.8000114.5R175 V177 K182 V183 E184R175-N180 HydrophobicContact CB-CB 3.65Å; R175-N180 WeakPolarHBondContact O-CB 3.36Å; V177-N180 PolarHBondContact O-ND2 3.2Å; V177-N180 VanDerWaalsContact O-ND2 3.12Å; N180-K182 PolarHBondContact O-N 3.48Å; N180-V183 PolarHBondContact O-N 3.28Å; N180-V183 VanDerWaalsContact O-N 3.08Å; N180-E184 WeakPolarHBondContact O-CB 3.37Å; N180-E184 PolarHBondContact O-N 2.67Å
181P95.8Very high96.2Very high57 Ų5754.1 Ų54.137%0.3730%0.295SS..Hα-helixtrans-59.2-33.9177-25.735.1000113.2R175 T176 K185R175-P181 WeakPolarHBondContact O-CD 3.26Å; R175-P181 WeakPolarHBondContact O-CG 3.5Å; T176-P181 WeakPolarHBondContact O-CG 3.49Å; P181-K185 VanDerWaalsContact O-CB 3.25Å; P181-K185 WeakPolarHBondContact O-CB 3.48Å; P181-K185 PolarHBondContact O-N 3.08Å; P181-K185 VanDerWaalsContact O-N 3.13Å
182K96.3Very high96.1Very high118 Ų11858.2 Ų58.251%0.51332%0.317SS..Hα-helixtrans-72.9-42.5176.5-174.7-166.4175.7-1560110.9E148 V179 N180 K185 Q186E148-K182 IonicContact OE1-NZ 2.7Å; E148-K182 PolarHBondContact OE1-NZ 2.95Å; E148-K182 IonicContact OE2-NZ 3.6Å; V179-K182 WeakPolarHBondContact O-CB 3.39Å; V179-K182 PolarHBondContact O-N 2.95Å; N180-K182 PolarHBondContact O-N 3.48Å; K182-K185 PolarHBondContact O-N 3.37Å; K182-Q186 VanDerWaalsContact O-CB 3.29Å; K182-Q186 WeakPolarHBondContact O-CB 3.3Å; K182-Q186 PolarHBondContact O-N 3.31Å
183V97.1Very high96Very high1 Ų164 Ų641%0.00634%0.344CS..Hα-helixtrans-61.9-49.5178.3175.30000110.7I145 E148 V151 V179 N180 Q186 F187I145-V183 HydrophobicContact CG2-CG1 4.25Å; E148-V183 HydrophobicContact CB-CG2 3.9Å; V151-V183 HydrophobicContact CG2-CG1 3.64Å; V179-V183 HydrophobicContact CG2-CG2 4.39Å; V179-V183 WeakPolarHBondContact O-CG2 3.49Å; V179-V183 PolarHBondContact O-N 3.29Å; V179-V183 VanDerWaalsContact O-N 3.08Å; N180-V183 PolarHBondContact O-N 3.28Å; N180-V183 VanDerWaalsContact O-N 3.08Å; V183-Q186 PolarHBondContact O-N 3.06Å; V183-F187 WeakPolarHBondContact O-CB 3.45Å; V183-F187 PolarHBondContact O-N 3.03Å
184E97Very high96Very high28 Ų2863.8 Ų63.813%0.13135%0.345CS..Hα-helixtrans-57.2-51.3176.5-176.2-173.4143.800111Y172 Q174 N180 Q186 F187 F188Y172-E184 HydrophobicContact CE2-CG 4Å; Y172-E184 PolarHBondContact OH-OE1 3.12Å; Q174-E184 PolarHBondContact NE2-OE1 3.39Å; N180-E184 WeakPolarHBondContact O-CB 3.37Å; N180-E184 PolarHBondContact O-N 2.67Å; E184-Q186 PolarHBondContact O-N 3.26Å; E184-F187 WeakPolarHBondContact O-CB 3.46Å; E184-F187 PolarHBondContact O-N 3.37Å; E184-F188 HydrophobicContact CG-CD2 3.92Å; E184-F188 HydrophobicContact CG-CE2 3.71Å; E184-F188 VanDerWaalsContact O-CD2 3.25Å; E184-F188 WeakPolarHBondContact O-CD2 3.43Å; E184-F188 PolarHBondContact O-N 2.93Å
185K97.4Very high96.1Very high128 Ų12861.5 Ų61.556%0.55733%0.334SS*.Hα-helixtrans-56.9-48.7177.6178176.2171.6177.30111.8P181 K182 F187 F188 E189P181-K185 VanDerWaalsContact O-CB 3.25Å; P181-K185 WeakPolarHBondContact O-CB 3.48Å; P181-K185 PolarHBondContact O-N 3.08Å; P181-K185 VanDerWaalsContact O-N 3.13Å; K182-K185 PolarHBondContact O-N 3.37Å; K185-F187 VanDerWaalsContact C-N 3.31Å; K185-F187 PolarHBondContact O-N 3.35Å; K185-F188 PolarHBondContact O-N 3.26Å; K185-E189 WeakPolarHBondContact CE-OE1 3.4Å; K185-E189 HydrophobicContact CG-CG 4.36Å; K185-E189 IonicContact NZ-OE1 2.76Å; K185-E189 WeakPolarHBondContact O-CB 3.16Å; K185-E189 WeakPolarHBondContact O-CG 3.47Å; K185-E189 PolarHBondContact O-N 3.23Å
186Q97.9Very high96.2Very high40 Ų4064.7 Ų64.719%0.18735%0.351CS..Hα-helixtrans-63.6-38.2-179.4-174.7-177.1-6.300111.9V151 K182 V183 E184 L190V151-Q186 HydrophobicContact CG1-CG 4.13Å; K182-Q186 VanDerWaalsContact O-CB 3.29Å; K182-Q186 WeakPolarHBondContact O-CB 3.3Å; K182-Q186 PolarHBondContact O-N 3.31Å; V183-Q186 PolarHBondContact O-N 3.06Å; E184-Q186 PolarHBondContact O-N 3.26Å; Q186-L190 HydrophobicContact CG-CD1 4.13Å; Q186-L190 WeakPolarHBondContact O-CG 3.28Å; Q186-L190 PolarHBondContact O-N 3.49Å; Q186-L190 VanDerWaalsContact O-N 3.13Å
187F98.3Very high96.5Very high1 Ų161.4 Ų61.40%0.00433%0.333CS..Hα-helixtrans-60.1-51.9175.4172.7-99.1000111.1M141 I145 V151 L154 V155 L158 V183 E184 K185 E189 L190 L191M141-F187 HydrophobicContact CE-CZ 4.4Å; I145-F187 HydrophobicContact CD1-CD1 3.56Å; I145-F187 HydrophobicContact CD1-CE1 3.43Å; I145-F187 VanDerWaalsContact CD1-CE1 3.43Å; I145-F187 HydrophobicContact CD1-CG 4.23Å; I145-F187 HydrophobicContact CD1-CZ 4.02Å; I145-F187 HydrophobicContact CG1-CD1 4.04Å; I145-F187 HydrophobicContact CG1-CD2 4.41Å; I145-F187 HydrophobicContact CG1-CE1 4.06Å; I145-F187 HydrophobicContact CG1-CE2 4.44Å; I145-F187 HydrophobicContact CG1-CG 4.21Å; I145-F187 HydrophobicContact CG1-CZ 4.26Å; I145-F187 HydrophobicContact CG2-CB 3.89Å; I145-F187 HydrophobicContact CG2-CD1 4.23Å; I145-F187 HydrophobicContact CG2-CG 4.03Å; V151-F187 HydrophobicContact CG1-CB 3.94Å; V151-F187 HydrophobicContact CG1-CD2 4.42Å; L154-F187 HydrophobicContact CD2-CD2 4.23Å; L154-F187 HydrophobicContact CD2-CE2 3.76Å; L154-F187 HydrophobicContact CG-CE2 4.14Å; V155-F187 HydrophobicContact CG2-CD2 3.77Å; V155-F187 HydrophobicContact CG2-CE2 3.84Å; L158-F187 HydrophobicContact CD1-CE2 4.46Å; L158-F187 HydrophobicContact CD1-CZ 4.47Å; V183-F187 WeakPolarHBondContact O-CB 3.45Å; V183-F187 PolarHBondContact O-N 3.03Å; E184-F187 WeakPolarHBondContact O-CB 3.46Å; E184-F187 PolarHBondContact O-N 3.37Å; K185-F187 VanDerWaalsContact C-N 3.31Å; K185-F187 PolarHBondContact O-N 3.35Å; F187-E189 PolarHBondContact O-N 3.18Å; F187-L190 PolarHBondContact O-N 3.15Å; F187-L191 HydrophobicContact CE1-CD2 3.72Å; F187-L191 HydrophobicContact CZ-CD1 4.13Å; F187-L191 HydrophobicContact CZ-CD2 3.91Å; F187-L191 HydrophobicContact CZ-CG 4.41Å; F187-L191 WeakPolarHBondContact O-CB 3.31Å; F187-L191 PolarHBondContact O-N 3.26Å
188F98Very high96.8Very high32 Ų3261.8 Ų61.814%0.1433%0.328CS..Hα-helixtrans-66.8-36.7179.5-72.8-64.7000113.1Y172 E184 K185 L190 L191 L192 L217Y172-F188 HydrophobicContact CE1-CE2 4.19Å; Y172-F188 AromaticContact CE1-CZ 3.78Å; Y172-F188 HydrophobicContact CE1-CZ 3.78Å; Y172-F188 AromaticContact CZ-CE2 3.83Å; Y172-F188 AromaticContact CZ-CZ 3.91Å; Y172-F188 WeakPolarHBondContact OH-CE2 3.19Å; E184-F188 HydrophobicContact CG-CD2 3.92Å; E184-F188 HydrophobicContact CG-CE2 3.71Å; E184-F188 VanDerWaalsContact O-CD2 3.25Å; E184-F188 WeakPolarHBondContact O-CD2 3.43Å; E184-F188 PolarHBondContact O-N 2.93Å; K185-F188 PolarHBondContact O-N 3.26Å; F188-L190 VanDerWaalsContact C-N 3.26Å; F188-L190 PolarHBondContact O-N 2.8Å; F188-L191 HydrophobicContact CD1-CD2 4.17Å; F188-L191 HydrophobicContact CE1-CD2 4.31Å; F188-L191 PolarHBondContact O-N 3.2Å; F188-L192 HydrophobicContact CB-CD1 4.3Å; F188-L192 VanDerWaalsContact O-CB 3.27Å; F188-L192 WeakPolarHBondContact O-CB 3.36Å; F188-L192 WeakPolarHBondContact O-CG 3.5Å; F188-L192 PolarHBondContact O-N 2.86Å; F188-L217 HydrophobicContact CE1-CD1 3.45Å; F188-L217 VanDerWaalsContact CE1-CD1 3.45Å; F188-L217 HydrophobicContact CZ-CD1 3.42Å; F188-L217 VanDerWaalsContact CZ-CD1 3.42Å
189E98.1Very high97.1Very high109 Ų10962.5 Ų62.551%0.50931%0.311SS..Hα-helixtrans-60.6-34.3174.6-78177.7167.300113K185 F187 Q193K185-E189 WeakPolarHBondContact CE-OE1 3.4Å; K185-E189 HydrophobicContact CG-CG 4.36Å; K185-E189 IonicContact NZ-OE1 2.76Å; K185-E189 WeakPolarHBondContact O-CB 3.16Å; K185-E189 WeakPolarHBondContact O-CG 3.47Å; K185-E189 PolarHBondContact O-N 3.23Å; F187-E189 PolarHBondContact O-N 3.18Å; E189-Q193 WeakPolarHBondContact O-CG 3.13Å; E189-Q193 PolarHBondContact O-NE2 2.83Å
190L98.1Very high97.3Very high42 Ų4258.8 Ų58.822%0.2229%0.288CS..Hα-helixtrans-84-42.8177.4-70.5171.4000112.3V151 K152 V155 Q186 F187 F188V151-L190 HydrophobicContact CG1-CD1 3.89Å; K152-L190 HydrophobicContact CG-CD1 3.8Å; V155-L190 HydrophobicContact CG1-CB 4.22Å; V155-L190 HydrophobicContact CG2-CB 4.16Å; Q186-L190 HydrophobicContact CG-CD1 4.13Å; Q186-L190 WeakPolarHBondContact O-CG 3.28Å; Q186-L190 PolarHBondContact O-N 3.49Å; Q186-L190 VanDerWaalsContact O-N 3.13Å; F187-L190 PolarHBondContact O-N 3.15Å; F188-L190 VanDerWaalsContact C-N 3.26Å; F188-L190 PolarHBondContact O-N 2.8Å
191L97.9Very high97.6Very high0 Ų060.1 Ų60.10%030%0.298CS..Hα-helixtrans-62.5-47.5-179.9-176.480.1000111V155 L158 F187 F188 Q193 D194 F195 I219V155-L191 HydrophobicContact CG2-CB 4.45Å; L158-L191 HydrophobicContact CD1-CD1 3.88Å; F187-L191 HydrophobicContact CE1-CD2 3.72Å; F187-L191 HydrophobicContact CZ-CD1 4.13Å; F187-L191 HydrophobicContact CZ-CD2 3.91Å; F187-L191 HydrophobicContact CZ-CG 4.41Å; F187-L191 WeakPolarHBondContact O-CB 3.31Å; F187-L191 PolarHBondContact O-N 3.26Å; F188-L191 HydrophobicContact CD1-CD2 4.17Å; F188-L191 HydrophobicContact CE1-CD2 4.31Å; F188-L191 PolarHBondContact O-N 3.2Å; L191-Q193 PolarHBondContact O-N 2.98Å; L191-D194 PolarHBondContact O-N 3.47Å; L191-D194 VanDerWaalsContact O-N 3.16Å; L191-F195 HydrophobicContact CD1-CB 4.45Å; L191-F195 HydrophobicContact CD1-CD2 3.54Å; L191-F195 HydrophobicContact CD1-CE2 4.02Å; L191-F195 HydrophobicContact CD1-CG 4.13Å; L191-F195 HydrophobicContact CG-CB 4.2Å; L191-F195 HydrophobicContact CG-CD2 4Å; L191-F195 HydrophobicContact CG-CG 4.4Å; L191-F195 WeakPolarHBondContact O-CB 3.48Å; L191-F195 VanDerWaalsContact O-CD2 3.24Å; L191-F195 WeakPolarHBondContact O-CD2 3.43Å; L191-F195 PolarHBondContact O-N 2.81Å; L191-F195 VanDerWaalsContact O-N 3.11Å; L191-I219 HydrophobicContact CD2-CD1 3.88Å; L191-I219 HydrophobicContact CD2-CG1 4.38Å; L191-I219 HydrophobicContact CD2-CG2 4.11Å; L191-I219 HydrophobicContact CG-CG2 4.48Å
192L97.4Very high97.6Very high87 Ų8761 Ų6146%0.45530%0.299SS..THydrogen-bonded Turntrans-72.20.9-173.1-63.5175000114.5F188 F195F188-L192 HydrophobicContact CB-CD1 4.3Å; F188-L192 VanDerWaalsContact O-CB 3.27Å; F188-L192 WeakPolarHBondContact O-CB 3.36Å; F188-L192 WeakPolarHBondContact O-CG 3.5Å; F188-L192 PolarHBondContact O-N 2.86Å; L192-F195 WeakPolarHBondContact CA-O 3.46Å
193Q97.4Very high97.6Very high132 Ų13262.1 Ų62.162%0.61731%0.311SS*.THydrogen-bonded Turntrans-72.6-31.1170.3-66.117537.300112.2E189 L191E189-Q193 WeakPolarHBondContact O-CG 3.13Å; E189-Q193 PolarHBondContact O-NE2 2.83Å; L191-Q193 PolarHBondContact O-N 2.98Å
194D96.8Very high97.6Very high56 Ų5667.9 Ų67.930%0.29934%0.335SS..THydrogen-bonded Turntrans-121.2-12-174.7-64.9-80.7000112.8K159 L191 A222K159-D194 WeakPolarHBondContact CE-OD2 2.92Å; K159-D194 IonicContact NZ-OD2 3.91Å; K159-D194 PolarHBondContact NZ-OD2 2.9Å; L191-D194 PolarHBondContact O-N 3.47Å; L191-D194 VanDerWaalsContact O-N 3.16Å; D194-A222 PolarHBondContact O-N 2.95Å
195F98.1Very high97.7Very high4 Ų467.1 Ų67.12%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-129.9155.9-172.4-58.8-81.9000112.2L158 K159 V162 I168 L191 L192 I219 R220 R221L158-F195 HydrophobicContact CB-CE2 4.45Å; L158-F195 HydrophobicContact CB-CZ 4.24Å; K159-F195 HydrophobicContact CG-CE2 3.84Å; K159-F195 HydrophobicContact CG-CZ 4.12Å; V162-F195 HydrophobicContact CB-CE1 3.8Å; V162-F195 HydrophobicContact CB-CZ 4.32Å; V162-F195 HydrophobicContact CG1-CE1 3.79Å; V162-F195 HydrophobicContact CG2-CE1 3.81Å; V162-F195 HydrophobicContact CG2-CZ 4.25Å; I168-F195 HydrophobicContact CD1-CE1 4.44Å; L191-F195 HydrophobicContact CD1-CB 4.45Å; L191-F195 HydrophobicContact CD1-CD2 3.54Å; L191-F195 HydrophobicContact CD1-CE2 4.02Å; L191-F195 HydrophobicContact CD1-CG 4.13Å; L191-F195 HydrophobicContact CG-CB 4.2Å; L191-F195 HydrophobicContact CG-CD2 4Å; L191-F195 HydrophobicContact CG-CG 4.4Å; L191-F195 WeakPolarHBondContact O-CB 3.48Å; L191-F195 VanDerWaalsContact O-CD2 3.24Å; L191-F195 WeakPolarHBondContact O-CD2 3.43Å; L191-F195 PolarHBondContact O-N 2.81Å; L191-F195 VanDerWaalsContact O-N 3.11Å; L192-F195 WeakPolarHBondContact CA-O 3.46Å; F195-I219 HydrophobicContact CB-CG2 3.62Å; F195-I219 HydrophobicContact CD1-CG2 4.22Å; F195-I219 HydrophobicContact CG-CG2 4.08Å; F195-R220 CarbonylContact C-O 3.5Å; F195-R220 VanDerWaalsContact CA-O 3.27Å; F195-R220 WeakPolarHBondContact CA-O 3.4Å; F195-R220 WeakPolarHBondContact CB-O 3.17Å; F195-R221 HydrophobicContact CD1-CB 4.45Å
196Q97.4Very high97.7Very high107 Ų10761.6 Ų61.650%0.531%0.309SS..EExtended strand (participates in β ladder)trans-111143.516657.9-176.8-18.700109.2I219 R220Q196-I219 VanDerWaalsContact O-CA 3.31Å; Q196-I219 WeakPolarHBondContact O-CA 3.39Å; Q196-I219 WeakPolarHBondContact O-CG2 3.45Å; Q196-R220 HydrophobicContact CG-CB 4.41Å; Q196-R220 PolarHBondContact N-O 3.12Å; Q196-R220 PolarHBondContact O-N 3.01Å
197S97.4Very high97.7Very high51 Ų5165.5 Ų65.536%0.35734%0.338SS..EExtended strand (participates in β ladder)trans-122.5142177.263.80000111.7H218S197-H218 CarbonylContact C-O 3.54Å; S197-H218 WeakPolarHBondContact CA-O 3.27Å
198E98.1Very high97.6Very high109 Ų10972.5 Ų72.551%0.50937%0.37SS..EExtended strand (participates in β ladder)trans-122.6125.7171.1-177.1-174.417300108.6L217 H218E198-L217 CarbonylContact O-C 3.39Å; E198-L217 WeakPolarHBondContact O-CA 3.41Å; E198-H218 PolarHBondContact N-O 3.45Å; E198-H218 PolarHBondContact O-N 3.1Å
199E98.3Very high97.6Very high92 Ų9274.6 Ų74.643%0.4338%0.378SS..EExtended strand (participates in β ladder)trans-81.3131.8174.9-171.3173.2177.100111.1P201 R215 L217E199-P201 VanDerWaalsContact O-CD 3.29Å; E199-P201 WeakPolarHBondContact O-CD 3.41Å; E199-R215 WeakPolarHBondContact OE1-CD 3.47Å; E199-R215 IonicContact OE1-CZ 3.81Å; E199-R215 IonicContact OE1-NE 3.23Å; E199-R215 IonicContact OE1-NH1 3.75Å; E199-R215 PolarHBondContact OE1-NH1 3.13Å; E199-R215 IonicContact OE2-NH1 2.85Å; E199-R215 PolarHBondContact OE2-NH1 2.91Å; E199-L217 HydrophobicContact CB-CD2 3.66Å; E199-L217 HydrophobicContact CG-CD2 3.97Å
200I98.4Very high97.6Very high9 Ų972 Ų725%0.04637%0.367CS..  trans-81.8114.7177.2-54.5-55.9000108.5Y48 K204 Q205 I216 H218Y48-I200 HydrophobicContact CE2-CG2 3.86Å; I200-K204 HydrophobicContact CG2-CB 3.85Å; I200-Q205 HydrophobicContact CG2-CG 4.2Å; I200-Q205 PolarHBondContact O-NE2 3.26Å; I200-I216 HydrophobicContact CB-CB 4.11Å; I200-I216 HydrophobicContact CB-CG2 4.25Å; I200-I216 HydrophobicContact CG1-CB 4.28Å; I200-I216 HydrophobicContact CG1-CG2 3.89Å; I200-I216 PolarHBondContact N-O 3.06Å; I200-H218 HydrophobicContact CD1-CB 4.47Å
201P97.8Very high97.6Very high59 Ų5971.4 Ų71.438%0.38337%0.367SS..  trans-61.6147.9-179.3-22.934.8000112E199 N203 K204E199-P201 VanDerWaalsContact O-CD 3.29Å; E199-P201 WeakPolarHBondContact O-CD 3.41Å; P201-N203 WeakPolarHBondContact CB-OD1 3.47Å; P201-N203 PolarHBondContact O-N 3Å; P201-N203 VanDerWaalsContact O-N 3.09Å; P201-K204 WeakPolarHBondContact O-CB 3.46Å; P201-K204 PolarHBondContact O-N 2.71Å
202L96.8Very high97.5Very high75 Ų7575.8 Ų75.839%0.39340%0.395SS..G310 helixtrans-51.9-36.7-178.6-70.6172000113.7K204 Q205 N210 P212L202-K204 PolarHBondContact O-N 3.42Å; L202-Q205 WeakPolarHBondContact O-CB 3.36Å; L202-Q205 PolarHBondContact O-N 3.04Å; L202-N210 HydrophobicContact CD2-CB 4.16Å; L202-P212 HydrophobicContact CD1-CB 4.42Å
203N96.8Very high97.5Very high142 Ų14275.9 Ų75.976%0.75940%0.396SS*.G310 helixtrans-71.6-6.7179.373.8-30000114.5P201P201-N203 WeakPolarHBondContact CB-OD1 3.47Å; P201-N203 PolarHBondContact O-N 3Å; P201-N203 VanDerWaalsContact O-N 3.09Å
204K97.3Very high97.5Very high122 Ų12270.1 Ų70.153%0.5337%0.37SS..G310 helixtrans-102.5-1.4170.3-62.1-167.8-174.3172.60112.6I200 P201 L202I200-K204 HydrophobicContact CG2-CB 3.85Å; P201-K204 WeakPolarHBondContact O-CB 3.46Å; P201-K204 PolarHBondContact O-N 2.71Å; L202-K204 PolarHBondContact O-N 3.42Å
205Q98Very high97.6Very high12 Ų1270.5 Ų70.56%0.05637%0.367CS..SBendtrans-90.9178.4175.6-55-175.916.500110.4I200 L202 N210 I216I200-Q205 HydrophobicContact CG2-CG 4.2Å; I200-Q205 PolarHBondContact O-NE2 3.26Å; L202-Q205 WeakPolarHBondContact O-CB 3.36Å; L202-Q205 PolarHBondContact O-N 3.04Å; Q205-N210 HydrophobicContact CB-CB 4.09Å; Q205-I216 HydrophobicContact CG-CD1 3.98Å
206D98.1Very high97.7Very high13 Ų1370.3 Ų70.37%0.0737%0.366CS..  trans-63.2130.9172.7-174.5-69.5000109.9K47 T51 E208 Y209 N210K47-D206 HydrophobicContact CB-CB 3.87Å; T51-D206 HydrophobicContact CG2-CB 4.48Å; D206-E208 VanDerWaalsContact C-N 3.27Å; D206-E208 PolarHBondContact O-N 3.45Å; D206-E208 PolarHBondContact OD1-N 3.32Å; D206-Y209 WeakPolarHBondContact OD1-CD2 3.38Å; D206-Y209 PolarHBondContact OD1-N 3.47Å; D206-N210 WeakPolarHBondContact O-CB 3.13Å; D206-N210 PolarHBondContact O-ND2 2.95Å
207P96.6Very high97.7Very high122 Ų12265.6 Ų65.679%0.79234%0.344SS*.SBendtrans-66.8-23.5-173.727.3-36.2000114.6N210P207-N210 PolarHBondContact O-ND2 3Å; P207-N210 VanDerWaalsContact O-ND2 3.15Å
208E97.2Very high97.8Very high148 Ų14864.5 Ų64.569%0.69233%0.333SS*.SBendtrans-99.3-40.1178-177.7173.9-170.400111.1D206 N210D206-E208 VanDerWaalsContact C-N 3.27Å; D206-E208 PolarHBondContact O-N 3.45Å; D206-E208 PolarHBondContact OD1-N 3.32Å; E208-N210 PolarHBondContact O-N 3.14Å
209Y97.6Very high97.8Very high76 Ų7659.4 Ų59.430%0.29831%0.309SS..SBendtrans-102.467.6-175.4-58.9-87.9000111.4I43 K47 D206I43-Y209 HydrophobicContact CG2-CD1 3.69Å; I43-Y209 HydrophobicContact CG2-CE1 4.24Å; I43-Y209 HydrophobicContact CG2-CG 4.47Å; K47-Y209 HydrophobicContact CB-CD2 4.27Å; K47-Y209 HydrophobicContact CB-CG 4.18Å; K47-Y209 HydrophobicContact CD-CD2 4.18Å; K47-Y209 HydrophobicContact CD-CE2 4.46Å; K47-Y209 HydrophobicContact CD-CG 4.48Å; K47-Y209 HydrophobicContact CG-CD1 4.21Å; K47-Y209 HydrophobicContact CG-CD2 3.73Å; K47-Y209 HydrophobicContact CG-CE2 4.42Å; K47-Y209 HydrophobicContact CG-CG 3.62Å; D206-Y209 WeakPolarHBondContact OD1-CD2 3.38Å; D206-Y209 PolarHBondContact OD1-N 3.47Å
210N97.9Very high97.8Very high53 Ų5360.7 Ų60.728%0.28331%0.311SS..  trans-142.6164172.269.789.6000111L202 Q205 D206 P207 E208L202-N210 HydrophobicContact CD2-CB 4.16Å; Q205-N210 HydrophobicContact CB-CB 4.09Å; D206-N210 WeakPolarHBondContact O-CB 3.13Å; D206-N210 PolarHBondContact O-ND2 2.95Å; P207-N210 PolarHBondContact O-ND2 3Å; P207-N210 VanDerWaalsContact O-ND2 3.15Å; E208-N210 PolarHBondContact O-N 3.14Å
211S98Very high97.6Very high31 Ų3164.4 Ų64.422%0.21732%0.324CS..  trans-151.9143.4173.9171.90000109.9D213 I214S211-D213 PolarHBondContact O-N 2.99Å; S211-D213 PolarHBondContact OG-N 3.41Å; S211-I214 PolarHBondContact O-N 3.26Å
212P96.3Very high97.3Very high92 Ų9264 Ų6460%0.59733%0.325SS*.THydrogen-bonded Turntrans-60.8-22.1172.427.5-36.2000113.1L202L202-P212 HydrophobicContact CD1-CB 4.42Å
213D97.5Very high96.1Very high89 Ų8970 Ų7048%0.47637%0.365SS..THydrogen-bonded Turntrans-90.6-9.2177.9-58.9-41.9000112.2E173 Q174 S211E173-D213 CarbonylContact C-O 3.55Å; E173-D213 WeakPolarHBondContact CA-O 3.49Å; Q174-D213 PolarHBondContact N-O 3.04Å; S211-D213 PolarHBondContact O-N 2.99Å; S211-D213 PolarHBondContact OG-N 3.41Å
214I98.4Very high96.1Very high11 Ų1166.5 Ų66.56%0.05635%0.345CS..EExtended strand (participates in β ladder)trans-108.3114176.9-60.3173.4000109.4D40 A41 V44 C171 Y172 E173 S211D40-I214 HydrophobicContact CB-CD1 3.77Å; A41-I214 HydrophobicContact CB-CG2 4.13Å; V44-I214 HydrophobicContact CB-CG2 3.93Å; V44-I214 HydrophobicContact CG1-CG2 3.8Å; V44-I214 HydrophobicContact CG2-CB 4.41Å; V44-I214 HydrophobicContact CG2-CD1 3.76Å; V44-I214 HydrophobicContact CG2-CG2 4.02Å; C171-I214 WeakPolarHBondContact SG-CG2 3.31Å; Y172-I214 WeakPolarHBondContact O-CA 3.5Å; E173-I214 HydrophobicContact CB-CG1 4.2Å; E173-I214 HydrophobicContact CG-CG1 4.2Å; S211-I214 PolarHBondContact O-N 3.26Å
215R98.4Very high96Very high63 Ų6363.5 Ų63.524%0.23834%0.335CS..EExtended strand (participates in β ladder)trans-98.3134.8-172.5-53.8-90.1-162.31760.2109C171 Y172 Q174 E199C171-R215 CarbonylContact C-O 3.59Å; C171-R215 VanDerWaalsContact CA-O 3.22Å; C171-R215 WeakPolarHBondContact CA-O 3.41Å; Y172-R215 HydrophobicContact CD1-CB 4.02Å; Y172-R215 HydrophobicContact CE1-CB 3.56Å; Y172-R215 HydrophobicContact CE1-CG 3.98Å; Y172-R215 HydrophobicContact CE2-CG 4.36Å; Y172-R215 PolarHBondContact N-O 3.11Å; Y172-R215 PolarHBondContact O-N 3.21Å; Q174-R215 HydrophobicContact CB-CG 4.48Å; E199-R215 WeakPolarHBondContact OE1-CD 3.47Å; E199-R215 IonicContact OE1-CZ 3.81Å; E199-R215 IonicContact OE1-NE 3.23Å; E199-R215 IonicContact OE1-NH1 3.75Å; E199-R215 PolarHBondContact OE1-NH1 3.13Å; E199-R215 IonicContact OE2-NH1 2.85Å; E199-R215 PolarHBondContact OE2-NH1 2.91Å
216I98.8Very high95.9Very high0 Ų066.4 Ų66.40%035%0.351CS..EExtended strand (participates in β ladder)trans-111.7127.6166.2-54.3-179.8000108.3V44 Y48 I169 C170 C171 I200 Q205V44-I216 HydrophobicContact CG1-CD1 3.9Å; V44-I216 HydrophobicContact CG1-CG1 4.22Å; Y48-I216 HydrophobicContact CD1-CD1 4.06Å; Y48-I216 HydrophobicContact CD1-CG2 4.11Å; Y48-I216 HydrophobicContact CD2-CD1 3.94Å; Y48-I216 HydrophobicContact CE1-CG2 4Å; Y48-I216 HydrophobicContact CG-CD1 3.59Å; I169-I216 HydrophobicContact CG2-CG2 3.97Å; C170-I216 CarbonylContact O-C 3.6Å; C170-I216 WeakPolarHBondContact O-CA 3.25Å; C171-I216 HydrophobicContact CB-CG1 4.37Å; I200-I216 HydrophobicContact CB-CB 4.11Å; I200-I216 HydrophobicContact CB-CG2 4.25Å; I200-I216 HydrophobicContact CG1-CB 4.28Å; I200-I216 HydrophobicContact CG1-CG2 3.89Å; I200-I216 PolarHBondContact N-O 3.06Å; Q205-I216 HydrophobicContact CG-CD1 3.98Å
217L98.7Very high95.8Very high9 Ų969.5 Ų69.55%0.04737%0.368CS..EExtended strand (participates in β ladder)trans-121.9134179.7-59.9171.5000110I169 C170 Y172 F188 E198 E199 I219I169-L217 WeakPolarHBondContact CA-O 3.33Å; C170-L217 HydrophobicContact CB-CB 4.43Å; C170-L217 PolarHBondContact N-O 3.09Å; C170-L217 PolarHBondContact O-N 3.25Å; Y172-L217 HydrophobicContact CE1-CD1 3.83Å; Y172-L217 HydrophobicContact CE1-CG 4.47Å; F188-L217 HydrophobicContact CE1-CD1 3.45Å; F188-L217 VanDerWaalsContact CE1-CD1 3.45Å; F188-L217 HydrophobicContact CZ-CD1 3.42Å; F188-L217 VanDerWaalsContact CZ-CD1 3.42Å; E198-L217 CarbonylContact O-C 3.39Å; E198-L217 WeakPolarHBondContact O-CA 3.41Å; E199-L217 HydrophobicContact CB-CD2 3.66Å; E199-L217 HydrophobicContact CG-CD2 3.97Å; L217-I219 HydrophobicContact CB-CD1 4.29Å; L217-I219 HydrophobicContact CB-CG1 4.11Å
218H98.6Very high95.8Very high28 Ų2866.3 Ų66.313%0.1334%0.341CS..EExtended strand (participates in β ladder)trans-92.8122.1160.1-74.3-175.7000108.7Y48 T167 I168 S197 E198 I200Y48-H218 AromaticContact CE1-NE2 3.65Å; Y48-H218 AromaticContact CZ-NE2 3.71Å; Y48-H218 PolarHBondContact OH-CE1 3.17Å; Y48-H218 PolarHBondContact OH-NE2 2.86Å; T167-H218 HydrophobicContact CG2-CB 4.33Å; I168-H218 WeakPolarHBondContact O-CA 3.36Å; S197-H218 CarbonylContact C-O 3.54Å; S197-H218 WeakPolarHBondContact CA-O 3.27Å; E198-H218 PolarHBondContact N-O 3.45Å; E198-H218 PolarHBondContact O-N 3.1Å; I200-H218 HydrophobicContact CD1-CB 4.47Å
219I98.6Very high95.7Very high1 Ų160.8 Ų60.81%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-120.3134.9-178.2-52.8151.5000108.8I168 C170 L191 F195 Q196 L217I168-I219 HydrophobicContact CB-CB 4.08Å; I168-I219 HydrophobicContact CD1-CB 4.12Å; I168-I219 HydrophobicContact CD1-CG2 3.99Å; I168-I219 HydrophobicContact CG2-CD1 4.35Å; I168-I219 PolarHBondContact N-O 3.29Å; I168-I219 PolarHBondContact O-N 3.48Å; C170-I219 HydrophobicContact CB-CD1 3.63Å; L191-I219 HydrophobicContact CD2-CD1 3.88Å; L191-I219 HydrophobicContact CD2-CG1 4.38Å; L191-I219 HydrophobicContact CD2-CG2 4.11Å; L191-I219 HydrophobicContact CG-CG2 4.48Å; F195-I219 HydrophobicContact CB-CG2 3.62Å; F195-I219 HydrophobicContact CD1-CG2 4.22Å; F195-I219 HydrophobicContact CG-CG2 4.08Å; Q196-I219 VanDerWaalsContact O-CA 3.31Å; Q196-I219 WeakPolarHBondContact O-CA 3.39Å; Q196-I219 WeakPolarHBondContact O-CG2 3.45Å; L217-I219 HydrophobicContact CB-CD1 4.29Å; L217-I219 HydrophobicContact CB-CG1 4.11Å
220R97.9Very high95.5Very high120 Ų12059.7 Ų59.745%0.45332%0.319SS..EExtended strand (participates in β ladder)trans-137.4156.9179.2-65.8-178.1-178.8143.51110.1T167 F195 Q196 A222T167-R220 HydrophobicContact CG2-CG 4.33Å; T167-R220 PolarHBondContact OG1-NE 3Å; F195-R220 CarbonylContact C-O 3.5Å; F195-R220 VanDerWaalsContact CA-O 3.27Å; F195-R220 WeakPolarHBondContact CA-O 3.4Å; F195-R220 WeakPolarHBondContact CB-O 3.17Å; Q196-R220 HydrophobicContact CG-CB 4.41Å; Q196-R220 PolarHBondContact N-O 3.12Å; Q196-R220 PolarHBondContact O-N 3.01Å; R220-A222 PolarHBondContact O-N 3.3Å
221R95.4Very high95.3Very high87 Ų8760.2 Ų60.233%0.32832%0.322SS..EExtended strand (participates in β ladder)trans-57.1136.1173.2-167.3174.3-71.8-85.94.1109.3K159 V162 F195K159-R221 PolarHBondContact O-NH2 3.05Å; V162-R221 HydrophobicContact CG1-CB 4.15Å; V162-R221 PolarHBondContact O-NE 2.8Å; V162-R221 PolarHBondContact O-NH2 3.01Å; F195-R221 HydrophobicContact CD1-CB 4.45Å
222A89.8Confident95.1Very high49 Ų4962.7 Ų62.741%0.40533%0.33SS..  trans-67.2139.5172.300000109.1D194 R220D194-A222 PolarHBondContact O-N 2.95Å; R220-A222 PolarHBondContact O-N 3.3Å
223V72.8Confident95Very high203 Ų20360 Ų60100%1.2331%0.306SS*.  trans-900177-176.50000109.8

Retrieved 223 of 223 residues in 826.3 ms (Link to these results)

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