A0A096MDK4_POEFO Loading...

ApoA-I-binding protein 2

AlphaFold DB , UniProt , Accession A0A096MDK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 246 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
1M40.1Very low46.3Very low230 Ų230150 Ų150100%1.13384%0.843SS**  096.70-71.3171.1-174.100105.8H3M1-H3 PolarHBondContact O-N 3.37Å
2N36.2Very low47Very low169 Ų169147.8 Ų147.890%0.90484%0.836SS**  trans-80.3114.7-178.2-81.3-0.4000108.6S4N2-S4 PolarHBondContact O-N 3.04Å
3H45.5Very low48.8Very low187 Ų187148.7 Ų148.787%0.86684%0.835SS**  trans-75.6103.4161.8-78.4-72.1000107.8M1M1-H3 PolarHBondContact O-N 3.37Å
4S43.9Very low51.2Low113 Ų113146 Ų14679%0.7981%0.812SS**  trans-9591.3162.9-176.90000107.1N2 A6N2-S4 PolarHBondContact O-N 3.04Å; S4-A6 PolarHBondContact O-N 2.82Å
5S47.4Very low53.8Low103 Ų103143.4 Ų143.472%0.7280%0.804SS**  trans-67105.7160.937.20000107.3E7S5-E7 PolarHBondContact O-N 2.93Å; S5-E7 VanDerWaalsContact O-N 3.12Å
6A48.8Very low56.3Low95 Ų95136.8 Ų136.879%0.78577%0.766SS**  trans-64.9107.716700000107.4S4 A8S4-A6 PolarHBondContact O-N 2.82Å; A6-A8 PolarHBondContact O-N 3.42Å
7E46.4Very low58.5Low185 Ų185133.7 Ų133.786%0.86474%0.74SS**  trans-63.6115.8165.2-72.7175162.900106.7S5 E9S5-E7 PolarHBondContact O-N 2.93Å; S5-E7 VanDerWaalsContact O-N 3.12Å; E7-E9 PolarHBondContact O-N 2.76Å
8A53.2Low60.6Low96 Ų96129.3 Ų129.379%0.79371%0.711SS**  trans-61.7123.6171.400000107.8A6A6-A8 PolarHBondContact O-N 3.42Å
9E48.5Very low62.5Low175 Ų175122.5 Ų122.582%0.81867%0.673SS**  trans-56139.6172.5-69.3-179.2165.300109.1E7 E11E7-E9 PolarHBondContact O-N 2.76Å; E9-E11 PolarHBondContact O-N 2.94Å
10P46Very low64.1Low117 Ų117117.2 Ų117.276%0.7665%0.645SS**  trans-61.8115.9177.824.2-30.6000108.7T12P10-T12 PolarHBondContact O-N 3.45Å
11E53.8Low65.5Low180 Ų180115 Ų11584%0.84163%0.629SS**  trans-55.5110.7171.1-76-178.516500108.2E9 I13E9-E11 PolarHBondContact O-N 2.94Å; E11-I13 PolarHBondContact O-N 3.37Å
12T54.6Low68.1Low123 Ų123106.2 Ų106.276%0.75560%0.598SS**  trans-68100.8171.149.30000107.2P10 E14P10-T12 PolarHBondContact O-N 3.45Å; T12-E14 PolarHBondContact O-N 3.27Å
13I70.4Confident71Confident160 Ų160100.2 Ų100.282%0.82157%0.566SS**  trans-66.2104.6173.7-57.3175.6000106.8E11E11-I13 PolarHBondContact O-N 3.37Å
14E82.5Confident73.4Confident111 Ų11191.4 Ų91.452%0.51953%0.525SS..PPolyproline II helixtrans-64.3140.5174.7-63.7-170.7-179.800109.7T12 N233T12-E14 PolarHBondContact O-N 3.27Å; E14-N233 HydrophobicContact CB-CB 4.28Å; E14-N233 WeakPolarHBondContact CB-ND2 3.3Å; E14-N233 PolarHBondContact OE2-ND2 3.22Å; E14-N233 PolarHBondContact OE2-OD1 3.02Å
15P89.8Confident75.9Confident107 Ų10787.5 Ų87.570%0.69550%0.5SS*.PPolyproline II helixtrans-66.7142.3-17727.8-34.2000111R17 N233P15-R17 PolarHBondContact O-N 2.6Å; P15-N233 WeakPolarHBondContact O-CB 3.34Å; P15-N233 PolarHBondContact O-ND2 3.32Å
16L93.3Very high78.3Confident38 Ų3884.3 Ų84.320%0.19948%0.48CS..PPolyproline II helixtrans-53.4128.8172175.357.8000110.3Y18 P204 L232 L234 L246L16-Y18 HydrophobicContact CD2-CE2 4.46Å; L16-Y18 HydrophobicContact CG-CE2 4.33Å; L16-Y18 WeakPolarHBondContact O-CD2 3.19Å; L16-P204 HydrophobicContact CD2-CG 3.98Å; L16-P204 HydrophobicContact CG-CG 4.48Å; L16-L232 WeakPolarHBondContact CD1-O 3.25Å; L16-L234 HydrophobicContact CD1-CD2 3.98Å; L16-L246 HydrophobicContact CD2-CD1 3.99Å; L16-L246 HydrophobicContact CD2-CD2 3.52Å; L16-L246 HydrophobicContact CD2-CG 4.41Å
17R95.1Very high80.6Confident84 Ų8479.8 Ų79.832%0.31744%0.442SS..PPolyproline II helixtrans-86132.6-179.2-172.2165.4178.8147.5-6.1111.9P15 Y230 E231 L232P15-R17 PolarHBondContact O-N 2.6Å; R17-Y230 WeakPolarHBondContact CD-O 2.86Å; R17-Y230 PolarHBondContact NE-O 2.8Å; R17-Y230 PolarHBondContact NH1-O 2.55Å; R17-E231 VanDerWaalsContact CB-O 3.27Å; R17-E231 WeakPolarHBondContact CB-O 3.35Å; R17-E231 VanDerWaalsContact CD-O 3.22Å; R17-E231 WeakPolarHBondContact CD-O 3.24Å; R17-E231 IonicContact NH1-OE2 2.77Å; R17-E231 PolarHBondContact NH1-OE2 2.63Å; R17-L232 PolarHBondContact N-O 3.46Å; R17-L232 VanDerWaalsContact N-O 3.1Å
18Y95.4Very high83Confident55 Ų5572.8 Ų72.822%0.21641%0.41CS..PPolyproline II helixtrans-99.2121.9172.4-71.9-112.6000109.3L16 P204 K205 A208 L209L16-Y18 HydrophobicContact CD2-CE2 4.46Å; L16-Y18 HydrophobicContact CG-CE2 4.33Å; L16-Y18 WeakPolarHBondContact O-CD2 3.19Å; Y18-P204 CarbonylContact C-O 3.58Å; Y18-P204 WeakPolarHBondContact CA-O 3.42Å; Y18-P204 HydrophobicContact CD1-CB 3.54Å; Y18-P204 HydrophobicContact CE1-CB 3.51Å; Y18-P204 HydrophobicContact CE1-CG 4.3Å; Y18-P204 HydrophobicContact CG-CB 4.13Å; Y18-K205 WeakPolarHBondContact CD1-O 3.49Å; Y18-A208 HydrophobicContact CD1-CB 4.33Å; Y18-A208 HydrophobicContact CE1-CB 4Å; Y18-L209 HydrophobicContact CD1-CB 4.29Å; Y18-L209 HydrophobicContact CD1-CD1 4.16Å; Y18-L209 HydrophobicContact CD2-CD1 3.8Å; Y18-L209 VanDerWaalsContact CE1-CA 3.49Å; Y18-L209 HydrophobicContact CE1-CB 4.37Å; Y18-L209 HydrophobicContact CE1-CD1 4.37Å; Y18-L209 HydrophobicContact CE2-CD1 4.01Å; Y18-L209 HydrophobicContact CG-CD1 3.9Å
19L96.1Very high85.2Confident0 Ų071.1 Ų71.10%039%0.39CS..BIsolated β-bridgetrans-77.6139.5-173.4-63.1-175.5000112D23 A24 I27 A203 P204 K205 K206 L232L19-D23 HydrophobicContact CB-CB 4.36Å; L19-D23 HydrophobicContact CD2-CB 3.9Å; L19-A24 HydrophobicContact CB-CB 4.31Å; L19-A24 HydrophobicContact CD1-CB 4.03Å; L19-I27 HydrophobicContact CD1-CD1 3.75Å; L19-I27 HydrophobicContact CD2-CD1 4.09Å; L19-A203 HydrophobicContact CD1-CB 3.67Å; L19-A203 HydrophobicContact CG-CB 3.77Å; L19-P204 PolarHBondContact N-O 3.48Å; L19-K205 HydrophobicContact CB-CD 4.46Å; L19-K205 WeakPolarHBondContact O-CA 3.21Å; L19-K206 PolarHBondContact O-N 3Å; L19-L232 HydrophobicContact CD2-CD2 3.65Å
20S95.3Very high87.5Confident16 Ų1664 Ų6411%0.11236%0.357CS..PPolyproline II helixtrans-71.3163.3157.268.40000110.6G22 D23 A24 E186S20-G22 PolarHBondContact O-N 3.5Å; S20-G22 PolarHBondContact OG-N 3.34Å; S20-D23 PolarHBondContact N-OD2 2.75Å; S20-D23 PolarHBondContact O-N 2.83Å; S20-D23 PolarHBondContact OG-N 2.7Å; S20-D23 PolarHBondContact OG-OD2 3.03Å; S20-A24 WeakPolarHBondContact O-CB 3.49Å; S20-A24 PolarHBondContact O-N 2.79Å; S20-E186 VanDerWaalsContact CA-OE1 3.3Å; S20-E186 WeakPolarHBondContact CA-OE1 3.46Å; S20-E186 VanDerWaalsContact CB-OE1 3.23Å; S20-E186 WeakPolarHBondContact CB-OE1 3.42Å; S20-E186 WeakPolarHBondContact CB-OE2 2.94Å
21K93.3Very high90Very high70 Ų7058.4 Ų58.430%0.30432%0.32SS..Hα-helixtrans-53.1-42.6166.9178169.1-177.31710111.6A25 L149 E150 E186K21-A25 WeakPolarHBondContact O-CB 3.45Å; K21-A25 PolarHBondContact O-N 2.98Å; K21-L149 HydrophobicContact CB-CD1 3.82Å; K21-L149 HydrophobicContact CB-CG 4.28Å; K21-L149 HydrophobicContact CG-CD1 4.05Å; K21-L149 HydrophobicContact CG-CD2 4.47Å; K21-L149 HydrophobicContact CG-CG 4Å; K21-E150 WeakPolarHBondContact CE-OE1 3.22Å; K21-E150 WeakPolarHBondContact CE-OE2 3.13Å; K21-E150 PolarHBondContact NZ-O 3.36Å; K21-E150 VanDerWaalsContact NZ-O 3.07Å; K21-E150 IonicContact NZ-OE2 3.71Å; K21-E150 PolarHBondContact NZ-OE2 3.17Å; K21-E150 VanDerWaalsContact NZ-OE2 3.14Å; K21-E186 WeakPolarHBondContact CB-OE1 3.35Å; K21-E186 PolarHBondContact N-OE1 3.36Å
22G95.8Very high92.1Very high47 Ų4752.4 Ų52.449%0.48529%0.294SS..Hα-helixtrans-61.6-47.2177.100000112.8S20 A26S20-G22 PolarHBondContact O-N 3.5Å; S20-G22 PolarHBondContact OG-N 3.34Å; G22-A26 WeakPolarHBondContact O-CB 3.28Å; G22-A26 PolarHBondContact O-N 3.3Å
23D96.5Very high94.2Very high42 Ų4254.9 Ų54.923%0.22529%0.289CS..Hα-helixtrans-65.7-44.9-179.6-61.2-45.3000111.4L19 S20 A26 I27L19-D23 HydrophobicContact CB-CB 4.36Å; L19-D23 HydrophobicContact CD2-CB 3.9Å; S20-D23 PolarHBondContact N-OD2 2.75Å; S20-D23 PolarHBondContact O-N 2.83Å; S20-D23 PolarHBondContact OG-N 2.7Å; S20-D23 PolarHBondContact OG-OD2 3.03Å; D23-A26 PolarHBondContact O-N 3.25Å; D23-I27 WeakPolarHBondContact O-CG1 3.33Å; D23-I27 PolarHBondContact O-N 3.02Å
24A96Very high95.5Very high2 Ų252.4 Ų52.42%0.01728%0.278CS..Hα-helixtrans-63.2-43179.200000112.1L19 S20 A26 I27 E28 L149 K205L19-A24 HydrophobicContact CB-CB 4.31Å; L19-A24 HydrophobicContact CD1-CB 4.03Å; S20-A24 WeakPolarHBondContact O-CB 3.49Å; S20-A24 PolarHBondContact O-N 2.79Å; A24-A26 VanDerWaalsContact C-N 3.32Å; A24-A26 PolarHBondContact O-N 3Å; A24-I27 PolarHBondContact O-N 3.11Å; A24-E28 PolarHBondContact O-N 3.35Å; A24-L149 HydrophobicContact CB-CD2 3.38Å; A24-K205 HydrophobicContact CB-CD 4.49Å
25A95.9Very high96.3Very high31 Ų3151.1 Ų51.126%0.25627%0.269SS..Hα-helixtrans-64.9-35.3174.500000112.6K21 T29K21-A25 WeakPolarHBondContact O-CB 3.45Å; K21-A25 PolarHBondContact O-N 2.98Å; A25-T29 WeakPolarHBondContact O-CB 3.36Å; A25-T29 PolarHBondContact O-N 2.99Å; A25-T29 PolarHBondContact O-OG1 3.46Å
26A97.8Very high96.7Very high36 Ų3653.8 Ų53.830%0.29827%0.269SS..Hα-helixtrans-67.8-45.6176.400000111.8G22 D23 A24 E28 T29 E30 Y230G22-A26 WeakPolarHBondContact O-CB 3.28Å; G22-A26 PolarHBondContact O-N 3.3Å; D23-A26 PolarHBondContact O-N 3.25Å; A24-A26 VanDerWaalsContact C-N 3.32Å; A24-A26 PolarHBondContact O-N 3Å; A26-E28 PolarHBondContact O-N 3.09Å; A26-T29 PolarHBondContact O-N 3Å; A26-E30 WeakPolarHBondContact O-CG 3.36Å; A26-E30 PolarHBondContact O-N 3.39Å; A26-Y230 HydrophobicContact CB-CE1 4.24Å; A26-Y230 VanDerWaalsContact CB-OH 3.31Å; A26-Y230 WeakPolarHBondContact CB-OH 3.49Å
27I97.5Very high96.9Very high0 Ų053.9 Ų53.90%027%0.268CS..Hα-helixtrans-58.4-48.5174.9-69.8166.2000110.7L19 D23 A24 T29 E30 L31 M202 L222 I226 Y230 L232L19-I27 HydrophobicContact CD1-CD1 3.75Å; L19-I27 HydrophobicContact CD2-CD1 4.09Å; D23-I27 WeakPolarHBondContact O-CG1 3.33Å; D23-I27 PolarHBondContact O-N 3.02Å; A24-I27 PolarHBondContact O-N 3.11Å; I27-T29 VanDerWaalsContact C-N 3.32Å; I27-T29 PolarHBondContact O-N 2.91Å; I27-E30 PolarHBondContact O-N 2.66Å; I27-L31 HydrophobicContact CG2-CD1 3.99Å; I27-L31 HydrophobicContact CG2-CG 4.41Å; I27-L31 WeakPolarHBondContact O-CG 3.28Å; I27-L31 PolarHBondContact O-N 3.09Å; I27-M202 HydrophobicContact CG2-SD 3.91Å; I27-L222 HydrophobicContact CG2-CD2 4.12Å; I27-I226 HydrophobicContact CG1-CG2 4.22Å; I27-I226 HydrophobicContact CG2-CG2 3.85Å; I27-Y230 HydrophobicContact CD1-CD1 3.89Å; I27-Y230 HydrophobicContact CD1-CD2 4.16Å; I27-Y230 HydrophobicContact CD1-CE1 4.3Å; I27-Y230 HydrophobicContact CD1-CG 3.8Å; I27-Y230 HydrophobicContact CG1-CD1 3.74Å; I27-Y230 HydrophobicContact CG1-CD2 3.62Å; I27-Y230 HydrophobicContact CG1-CE1 3.69Å; I27-Y230 HydrophobicContact CG1-CE2 3.58Å; I27-Y230 HydrophobicContact CG1-CG 3.69Å; I27-L232 HydrophobicContact CD1-CD2 4.06Å
28E96.9Very high97Very high38 Ų3851.5 Ų51.518%0.17827%0.27CS..Hα-helixtrans-61.9-41.6178.7-177170.9-170.600111.8A24 A26 E30 L31 L32 L42 W46 Q78A24-E28 PolarHBondContact O-N 3.35Å; A26-E28 PolarHBondContact O-N 3.09Å; E28-E30 VanDerWaalsContact C-N 3.33Å; E28-E30 PolarHBondContact O-N 3.43Å; E28-L31 WeakPolarHBondContact O-CB 3.39Å; E28-L31 PolarHBondContact O-N 3.19Å; E28-L32 HydrophobicContact CG-CD1 4.05Å; E28-L32 HydrophobicContact CG-CG 4.48Å; E28-L32 WeakPolarHBondContact O-CG 3.14Å; E28-L32 PolarHBondContact O-N 3.18Å; E28-L42 HydrophobicContact CG-CD1 4.44Å; E28-W46 HydrophobicContact CG-CH2 4.34Å; E28-Q78 PolarHBondContact OE1-NE2 3.07Å; E28-Q78 PolarHBondContact OE1-OE1 3.4Å; E28-Q78 PolarHBondContact OE2-NE2 3.45Å
29T98.1Very high97.1Very high61 Ų6152.1 Ų52.137%0.37428%0.275SS..Hα-helixtrans-60.2-43.3176-64.30000111.6A25 A26 I27 L32 R33A25-T29 WeakPolarHBondContact O-CB 3.36Å; A25-T29 PolarHBondContact O-N 2.99Å; A25-T29 PolarHBondContact O-OG1 3.46Å; A26-T29 PolarHBondContact O-N 3Å; I27-T29 VanDerWaalsContact C-N 3.32Å; I27-T29 PolarHBondContact O-N 2.91Å; T29-L32 PolarHBondContact O-N 3.35Å; T29-R33 HydrophobicContact CG2-CG 4.25Å; T29-R33 VanDerWaalsContact O-CB 3.24Å; T29-R33 WeakPolarHBondContact O-CB 3.46Å; T29-R33 WeakPolarHBondContact O-CG 3.25Å; T29-R33 PolarHBondContact O-N 3.11Å
30E98.3Very high97.1Very high26 Ų2656.7 Ų56.712%0.12130%0.296CS..Hα-helixtrans-66-42.7176.2-72.8-175.9-140.300112A26 I27 E28 L32 R33 D34 Y35 K229 Y230A26-E30 WeakPolarHBondContact O-CG 3.36Å; A26-E30 PolarHBondContact O-N 3.39Å; I27-E30 PolarHBondContact O-N 2.66Å; E28-E30 VanDerWaalsContact C-N 3.33Å; E28-E30 PolarHBondContact O-N 3.43Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 3.2Å; E30-R33 PolarHBondContact O-N 3.08Å; E30-D34 WeakPolarHBondContact O-CA 3.1Å; E30-D34 WeakPolarHBondContact O-CB 3.39Å; E30-D34 PolarHBondContact O-N 3.36Å; E30-Y35 PolarHBondContact O-N 3.33Å; E30-K229 WeakPolarHBondContact OE1-CE 3.33Å; E30-K229 IonicContact OE1-NZ 2.97Å; E30-K229 PolarHBondContact OE1-NZ 3.47Å; E30-K229 IonicContact OE2-NZ 3.14Å; E30-K229 PolarHBondContact OE2-NZ 3.23Å; E30-Y230 PolarHBondContact OE1-OH 2.74Å
31L98.3Very high97.2Very high0 Ų060.4 Ų60.40%031%0.312CS..Hα-helixtrans-55.6-46.6175.3-74.7168.1000111.2I27 E28 Y35 K36 F37 L42 M202 F221 L222 P223 I226I27-L31 HydrophobicContact CG2-CD1 3.99Å; I27-L31 HydrophobicContact CG2-CG 4.41Å; I27-L31 WeakPolarHBondContact O-CG 3.28Å; I27-L31 PolarHBondContact O-N 3.09Å; E28-L31 WeakPolarHBondContact O-CB 3.39Å; E28-L31 PolarHBondContact O-N 3.19Å; L31-Y35 CarbonylContact O-C 3.44Å; L31-K36 PolarHBondContact O-N 2.92Å; L31-K36 VanDerWaalsContact O-N 3.11Å; L31-F37 HydrophobicContact CB-CD2 4.2Å; L31-F37 HydrophobicContact CD2-CD2 3.71Å; L31-F37 HydrophobicContact CD2-CE2 3.66Å; L31-F37 HydrophobicContact CD2-CZ 4.48Å; L31-F37 WeakPolarHBondContact O-CB 3.44Å; L31-F37 PolarHBondContact O-N 2.98Å; L31-L42 HydrophobicContact CB-CD1 4.26Å; L31-L42 HydrophobicContact CD1-CD2 4.49Å; L31-M202 HydrophobicContact CD1-SD 3.96Å; L31-F221 HydrophobicContact CD1-CE2 3.97Å; L31-F221 HydrophobicContact CD2-CE2 4.49Å; L31-L222 HydrophobicContact CD1-CD2 3.9Å; L31-L222 HydrophobicContact CD2-CD2 4.34Å; L31-P223 HydrophobicContact CD2-CG 4.32Å; L31-I226 HydrophobicContact CD2-CD1 3.52Å; L31-I226 HydrophobicContact CG-CD1 3.76Å
32L98Very high97.4Very high54 Ų5457.1 Ų57.128%0.28330%0.297SS..Hα-helixtrans-72.2-44.1-179.6-67.7172.3000112.6E28 T29 E30 F37 Q39 L42E28-L32 HydrophobicContact CG-CD1 4.05Å; E28-L32 HydrophobicContact CG-CG 4.48Å; E28-L32 WeakPolarHBondContact O-CG 3.14Å; E28-L32 PolarHBondContact O-N 3.18Å; T29-L32 PolarHBondContact O-N 3.35Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 3.2Å; L32-F37 WeakPolarHBondContact CD2-O 3.18Å; L32-Q39 HydrophobicContact CD2-CB 4.07Å; L32-L42 HydrophobicContact CD2-CD1 3.68Å; L32-L42 HydrophobicContact CG-CD1 4.01Å
33R98.1Very high97.5Very high174 Ų17454.9 Ų54.966%0.65727%0.274SS*.Hα-helixtrans-88.4-45.8-171.1-68.8-173.3174.8-180-0.4113.6T29 E30 K36T29-R33 HydrophobicContact CG2-CG 4.25Å; T29-R33 VanDerWaalsContact O-CB 3.24Å; T29-R33 WeakPolarHBondContact O-CB 3.46Å; T29-R33 WeakPolarHBondContact O-CG 3.25Å; T29-R33 PolarHBondContact O-N 3.11Å; E30-R33 PolarHBondContact O-N 3.08Å; R33-K36 VanDerWaalsContact O-CD 3.3Å; R33-K36 WeakPolarHBondContact O-CD 3.47Å; R33-K36 WeakPolarHBondContact O-CE 3.39Å; R33-K36 PolarHBondContact O-NZ 3.28Å
34D98.1Very high97.6Very high109 Ų10955.1 Ų55.158%0.58327%0.274SS*.THydrogen-bonded Turntrans-96.9-43.4-169.4-60.2-22.3000110.5E30E30-D34 WeakPolarHBondContact O-CA 3.1Å; E30-D34 WeakPolarHBondContact O-CB 3.39Å; E30-D34 PolarHBondContact O-N 3.36Å
35Y98.1Very high97.7Very high84 Ų8457.6 Ų57.633%0.32929%0.287SS..SBendtrans-88-5.9178-67.2-98.1000113.7E30 L31 F37 P223 D225 I226E30-Y35 PolarHBondContact O-N 3.33Å; L31-Y35 CarbonylContact O-C 3.44Å; Y35-F37 PolarHBondContact O-N 2.83Å; Y35-P223 HydrophobicContact CD1-CB 3.95Å; Y35-P223 HydrophobicContact CD1-CG 3.5Å; Y35-P223 VanDerWaalsContact CD1-CG 3.5Å; Y35-P223 HydrophobicContact CE1-CB 3.47Å; Y35-P223 VanDerWaalsContact CE1-CB 3.47Å; Y35-P223 HydrophobicContact CE1-CG 3.56Å; Y35-P223 HydrophobicContact CG-CG 4.18Å; Y35-D225 WeakPolarHBondContact OH-CB 3.47Å; Y35-I226 HydrophobicContact CD2-CD1 3.79Å; Y35-I226 HydrophobicContact CD2-CG1 4.26Å; Y35-I226 HydrophobicContact CE1-CG1 4.45Å; Y35-I226 HydrophobicContact CE2-CD1 3.56Å; Y35-I226 HydrophobicContact CE2-CG1 3.51Å; Y35-I226 HydrophobicContact CG-CD1 4.47Å
36K98.1Very high97.8Very high162 Ų16256.3 Ų56.370%0.70428%0.275SS*.  trans58.829.4174-52.4-60.1-177.1-169.90114.4L31 R33L31-K36 PolarHBondContact O-N 2.92Å; L31-K36 VanDerWaalsContact O-N 3.11Å; R33-K36 VanDerWaalsContact O-CD 3.3Å; R33-K36 WeakPolarHBondContact O-CD 3.47Å; R33-K36 WeakPolarHBondContact O-CE 3.39Å; R33-K36 PolarHBondContact O-NZ 3.28Å
37F98.2Very high97.8Very high41 Ų4154.6 Ų54.618%0.1826%0.261CS..  trans-61.8141.9166.2-76.8-92.7000109.8L31 L32 Y35 Q41 L42 F221 P223L31-F37 HydrophobicContact CB-CD2 4.2Å; L31-F37 HydrophobicContact CD2-CD2 3.71Å; L31-F37 HydrophobicContact CD2-CE2 3.66Å; L31-F37 HydrophobicContact CD2-CZ 4.48Å; L31-F37 WeakPolarHBondContact O-CB 3.44Å; L31-F37 PolarHBondContact O-N 2.98Å; L32-F37 WeakPolarHBondContact CD2-O 3.18Å; Y35-F37 PolarHBondContact O-N 2.83Å; F37-Q41 HydrophobicContact CD1-CG 4.46Å; F37-L42 HydrophobicContact CB-CD1 4.31Å; F37-L42 HydrophobicContact CB-CD2 3.75Å; F37-L42 HydrophobicContact CB-CG 3.98Å; F37-L42 HydrophobicContact CD1-CD2 3.75Å; F37-L42 HydrophobicContact CG-CD2 3.84Å; F37-F221 HydrophobicContact CE1-CD2 4.4Å; F37-P223 HydrophobicContact CE2-CG 4.21Å
38G97.8Very high97.8Very high34 Ų3458.1 Ų58.135%0.35128%0.278SS..  trans-77.5142.7170.500000110.9Q40 Q41 L42G38-Q40 VanDerWaalsContact C-N 3.27Å; G38-Q40 PolarHBondContact O-N 3.49Å; G38-Q41 WeakPolarHBondContact O-CA 3.44Å; G38-Q41 VanDerWaalsContact O-CB 3.27Å; G38-Q41 WeakPolarHBondContact O-CB 3.43Å; G38-Q41 PolarHBondContact O-N 3.37Å; G38-L42 PolarHBondContact O-N 3.04Å
39Q96.6Very high97.9Very high68 Ų6856.4 Ų56.432%0.31827%0.27SS..Hα-helixtrans-59-41.5174.9-170.2179.610.200111.7L32 Q41 L42 I43 L109L32-Q39 HydrophobicContact CD2-CB 4.07Å; Q39-Q41 VanDerWaalsContact C-N 3.26Å; Q39-Q41 PolarHBondContact O-N 3.38Å; Q39-L42 PolarHBondContact O-N 3.4Å; Q39-I43 HydrophobicContact CG-CD1 4.16Å; Q39-I43 WeakPolarHBondContact O-CG1 3.38Å; Q39-I43 PolarHBondContact O-N 3.28Å; Q39-I43 VanDerWaalsContact O-N 3.09Å; Q39-L109 HydrophobicContact CB-CD2 4Å; Q39-L109 HydrophobicContact CG-CD2 3.76Å
40Q97.3Very high97.9Very high95 Ų9553.5 Ų53.544%0.44425%0.252SS..Hα-helixtrans-59.1-38.6173.2-170.6172.1-5.200112.3G38 E44 L109 F113G38-Q40 VanDerWaalsContact C-N 3.27Å; G38-Q40 PolarHBondContact O-N 3.49Å; Q40-E44 VanDerWaalsContact O-CB 3.3Å; Q40-E44 WeakPolarHBondContact O-CB 3.39Å; Q40-E44 PolarHBondContact O-N 2.97Å; Q40-L109 HydrophobicContact CB-CD1 3.58Å; Q40-L109 HydrophobicContact CG-CD1 3.73Å; Q40-F113 HydrophobicContact CG-CE1 4.39Å; Q40-F113 HydrophobicContact CG-CZ 3.83Å
41Q97.8Very high97.9Very high95 Ų9552.3 Ų52.344%0.44425%0.247SC..Hα-helixtrans-66.6-43.3179.4-178.1-17318.300111.3F37 G38 Q39 E44 L45F37-Q41 HydrophobicContact CD1-CG 4.46Å; G38-Q41 WeakPolarHBondContact O-CA 3.44Å; G38-Q41 VanDerWaalsContact O-CB 3.27Å; G38-Q41 WeakPolarHBondContact O-CB 3.43Å; G38-Q41 PolarHBondContact O-N 3.37Å; Q39-Q41 VanDerWaalsContact C-N 3.26Å; Q39-Q41 PolarHBondContact O-N 3.38Å; Q41-E44 PolarHBondContact O-N 3.07Å; Q41-L45 HydrophobicContact CG-CD1 4.23Å; Q41-L45 VanDerWaalsContact O-CG 3.3Å; Q41-L45 WeakPolarHBondContact O-CG 3.38Å; Q41-L45 PolarHBondContact O-N 3.23Å
42L97.3Very high97.9Very high0 Ų054.6 Ų54.60%026%0.259CS..Hα-helixtrans-63.5-47.5177.6-63.8-177.6000111.4E28 L31 L32 F37 G38 Q39 E44 L45 W46 F221E28-L42 HydrophobicContact CG-CD1 4.44Å; L31-L42 HydrophobicContact CB-CD1 4.26Å; L31-L42 HydrophobicContact CD1-CD2 4.49Å; L32-L42 HydrophobicContact CD2-CD1 3.68Å; L32-L42 HydrophobicContact CG-CD1 4.01Å; F37-L42 HydrophobicContact CB-CD1 4.31Å; F37-L42 HydrophobicContact CB-CD2 3.75Å; F37-L42 HydrophobicContact CB-CG 3.98Å; F37-L42 HydrophobicContact CD1-CD2 3.75Å; F37-L42 HydrophobicContact CG-CD2 3.84Å; G38-L42 PolarHBondContact O-N 3.04Å; Q39-L42 PolarHBondContact O-N 3.4Å; L42-E44 VanDerWaalsContact C-N 3.29Å; L42-E44 PolarHBondContact O-N 2.92Å; L42-L45 PolarHBondContact O-N 3.04Å; L42-W46 VanDerWaalsContact C-CE3 3.49Å; L42-W46 HydrophobicContact CB-CD2 4.49Å; L42-W46 HydrophobicContact CB-CE3 4.04Å; L42-W46 HydrophobicContact CB-CH2 3.68Å; L42-W46 HydrophobicContact CB-CZ2 4.15Å; L42-W46 HydrophobicContact CB-CZ3 3.61Å; L42-W46 HydrophobicContact CD1-CH2 3.97Å; L42-W46 HydrophobicContact CD1-CZ2 4.49Å; L42-W46 HydrophobicContact CG-CH2 4.36Å; L42-W46 VanDerWaalsContact O-CD2 3.26Å; L42-W46 VanDerWaalsContact O-CE3 3.31Å; L42-W46 PolarHBondContact O-N 3.07Å; L42-F221 HydrophobicContact CD2-CD2 4.39Å; L42-F221 HydrophobicContact CD2-CE2 3.7Å; L42-F221 HydrophobicContact CD2-CZ 4.09Å
43I97.6Very high97.9Very high0 Ų052 Ų520%025%0.245CC..Hα-helixtrans-60.2-40.8177.2-65.6170.6000111.2Q39 W46 G47 Q78 I82 V85 L109 F113Q39-I43 HydrophobicContact CG-CD1 4.16Å; Q39-I43 WeakPolarHBondContact O-CG1 3.38Å; Q39-I43 PolarHBondContact O-N 3.28Å; Q39-I43 VanDerWaalsContact O-N 3.09Å; I43-W46 HydrophobicContact CG1-CE3 4.44Å; I43-W46 HydrophobicContact CG1-CZ3 4.49Å; I43-W46 PolarHBondContact O-N 3.16Å; I43-G47 PolarHBondContact O-N 3.38Å; I43-Q78 HydrophobicContact CD1-CG 4.18Å; I43-Q78 HydrophobicContact CG1-CG 4.07Å; I43-I82 HydrophobicContact CG2-CG1 4.13Å; I43-V85 HydrophobicContact CG2-CG2 3.95Å; I43-L109 HydrophobicContact CD1-CD2 4Å; I43-F113 HydrophobicContact CB-CE2 4.01Å; I43-F113 HydrophobicContact CB-CZ 3.93Å; I43-F113 HydrophobicContact CD1-CE2 4.01Å; I43-F113 HydrophobicContact CG2-CD2 4.22Å; I43-F113 HydrophobicContact CG2-CE1 4.36Å; I43-F113 HydrophobicContact CG2-CE2 3.5Å; I43-F113 HydrophobicContact CG2-CZ 3.57Å
44E98.1Very high97.9Very high47 Ų4743.7 Ų43.722%0.2221%0.214CC..Hα-helixtrans-61.2-48.1176.8-17361.8-152.800111.8Q40 Q41 L42 G47 Q48 R88 H89Q40-E44 VanDerWaalsContact O-CB 3.3Å; Q40-E44 WeakPolarHBondContact O-CB 3.39Å; Q40-E44 PolarHBondContact O-N 2.97Å; Q41-E44 PolarHBondContact O-N 3.07Å; L42-E44 VanDerWaalsContact C-N 3.29Å; L42-E44 PolarHBondContact O-N 2.92Å; E44-G47 PolarHBondContact O-N 2.89Å; E44-Q48 WeakPolarHBondContact O-CB 3.25Å; E44-Q48 PolarHBondContact O-N 3.33Å; E44-R88 IonicContact OE1-CZ 2.95Å; E44-R88 IonicContact OE1-NH1 3.86Å; E44-R88 IonicContact OE1-NH2 3.4Å; E44-R88 PolarHBondContact OE1-NH2 3.33Å; E44-R88 IonicContact OE2-NH2 2.89Å; E44-R88 PolarHBondContact OE2-NH2 3.38Å; E44-H89 IonicContact OE1-CD2 3.84Å; E44-H89 IonicContact OE1-CE1 3.54Å; E44-H89 IonicContact OE1-NE2 2.75Å; E44-H89 PolarHBondContact OE1-NE2 3.07Å
45L97.6Very high97.9Very high54 Ų5440.1 Ų40.128%0.28320%0.196SC..Hα-helixtrans-62.9-44.3179.3-71.6170.4000111.8Q41 L42 A49 F221Q41-L45 HydrophobicContact CG-CD1 4.23Å; Q41-L45 VanDerWaalsContact O-CG 3.3Å; Q41-L45 WeakPolarHBondContact O-CG 3.38Å; Q41-L45 PolarHBondContact O-N 3.23Å; L42-L45 PolarHBondContact O-N 3.04Å; L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.34Å; L45-A49 PolarHBondContact O-N 3.37Å; L45-F221 HydrophobicContact CB-CD1 4.14Å; L45-F221 HydrophobicContact CB-CE1 4.31Å; L45-F221 HydrophobicContact CD1-CB 4.16Å; L45-F221 HydrophobicContact CD1-CD1 4.05Å; L45-F221 HydrophobicContact CD1-CD2 4.43Å; L45-F221 HydrophobicContact CD1-CG 3.96Å
46W97.7Very high97.9Very high4 Ų441.2 Ų41.22%0.01520%0.202CC..Hα-helixtrans-64.9-48.3177.8-69.6-40.1000112.2E28 L42 I43 Q48 A49 C50 Q78 I82 L201 M202 F221E28-W46 HydrophobicContact CG-CH2 4.34Å; L42-W46 VanDerWaalsContact C-CE3 3.49Å; L42-W46 HydrophobicContact CB-CD2 4.49Å; L42-W46 HydrophobicContact CB-CE3 4.04Å; L42-W46 HydrophobicContact CB-CH2 3.68Å; L42-W46 HydrophobicContact CB-CZ2 4.15Å; L42-W46 HydrophobicContact CB-CZ3 3.61Å; L42-W46 HydrophobicContact CD1-CH2 3.97Å; L42-W46 HydrophobicContact CD1-CZ2 4.49Å; L42-W46 HydrophobicContact CG-CH2 4.36Å; L42-W46 VanDerWaalsContact O-CD2 3.26Å; L42-W46 VanDerWaalsContact O-CE3 3.31Å; L42-W46 PolarHBondContact O-N 3.07Å; I43-W46 HydrophobicContact CG1-CE3 4.44Å; I43-W46 HydrophobicContact CG1-CZ3 4.49Å; I43-W46 PolarHBondContact O-N 3.16Å; W46-Q48 PolarHBondContact O-N 3.39Å; W46-A49 PolarHBondContact O-N 3.3Å; W46-C50 PolarHBondContact O-N 2.79Å; W46-C50 PolarHBondContact O-SG 3.27Å; W46-Q78 VanDerWaalsContact CZ3-NE2 3.34Å; W46-I82 HydrophobicContact CB-CD1 4.11Å; W46-I82 HydrophobicContact CB-CG1 4.13Å; W46-I82 HydrophobicContact CB-CG2 4.03Å; W46-I82 HydrophobicContact CD2-CD1 4.3Å; W46-I82 HydrophobicContact CE3-CD1 3.78Å; W46-I82 HydrophobicContact CE3-CG1 4.25Å; W46-I82 HydrophobicContact CG-CD1 4.48Å; W46-L201 HydrophobicContact CB-CD1 3.85Å; W46-L201 HydrophobicContact CB-CD2 4.02Å; W46-L201 HydrophobicContact CB-CG 4.49Å; W46-L201 HydrophobicContact CD2-CD1 4.29Å; W46-L201 HydrophobicContact CG-CB 4.33Å; W46-L201 HydrophobicContact CG-CD1 3.8Å; W46-L201 HydrophobicContact CG-CD2 4.14Å; W46-L201 HydrophobicContact CG-CG 4.32Å; W46-M202 HydrophobicContact CZ2-CE 4.05Å; W46-M202 HydrophobicContact CZ2-CG 4.03Å; W46-M202 HydrophobicContact CZ2-SD 3.75Å; W46-F221 AromaticContact CD1-CE1 3.65Å; W46-F221 AromaticContact CE2-CZ 3.75Å; W46-F221 HydrophobicContact CZ2-CZ 4.01Å; W46-F221 AromaticContact NE1-CE1 3.33Å; W46-F221 VanDerWaalsContact NE1-CE1 3.33Å; W46-F221 AromaticContact NE1-CZ 3.25Å; W46-F221 VanDerWaalsContact NE1-CZ 3.25Å
47G98.3Very high97.9Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-66.3-38.1-178.200000112.6I43 E44 C50 A51 C86I43-G47 PolarHBondContact O-N 3.38Å; E44-G47 PolarHBondContact O-N 2.89Å; G47-C50 PolarHBondContact O-N 2.96Å; G47-A51 PolarHBondContact O-N 2.97Å; G47-C86 WeakPolarHBondContact O-CA 3.43Å
48Q98.2Very high97.9Very high74 Ų7433.1 Ų33.135%0.34617%0.169SC..Hα-helixtrans-61.6-45.6172.1-174.6179.518.100111.3E44 W46 C50 A51 L52E44-Q48 WeakPolarHBondContact O-CB 3.25Å; E44-Q48 PolarHBondContact O-N 3.33Å; W46-Q48 PolarHBondContact O-N 3.39Å; Q48-C50 VanDerWaalsContact C-N 3.32Å; Q48-C50 PolarHBondContact O-N 2.75Å; Q48-A51 PolarHBondContact O-N 3.46Å; Q48-L52 HydrophobicContact CG-CD1 4.33Å; Q48-L52 WeakPolarHBondContact O-CG 3.39Å; Q48-L52 PolarHBondContact O-N 2.84Å
49A97.7Very high97.9Very high3 Ų334 Ų343%0.02517%0.168CC..Hα-helixtrans-65.3-35.9179.900000112L45 W46 L52 A53 A218L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.34Å; L45-A49 PolarHBondContact O-N 3.37Å; W46-A49 PolarHBondContact O-N 3.3Å; A49-L52 PolarHBondContact O-N 2.8Å; A49-A53 PolarHBondContact O-N 3.15Å; A49-A218 HydrophobicContact CB-CB 3.82Å
50C98.5Very high97.9Very high0 Ų034.3 Ų34.30%017%0.172CC..Hα-helixtrans-60.2-46.8170.9-69.90000112.2W46 G47 Q48 L52 A53 I54 C86 I199W46-C50 PolarHBondContact O-N 2.79Å; W46-C50 PolarHBondContact O-SG 3.27Å; G47-C50 PolarHBondContact O-N 2.96Å; Q48-C50 VanDerWaalsContact C-N 3.32Å; Q48-C50 PolarHBondContact O-N 2.75Å; C50-L52 VanDerWaalsContact C-N 3.31Å; C50-L52 PolarHBondContact O-N 3.37Å; C50-A53 PolarHBondContact O-N 3.43Å; C50-I54 WeakPolarHBondContact O-CD1 3.3Å; C50-I54 WeakPolarHBondContact O-CG1 3.46Å; C50-I54 PolarHBondContact O-N 2.8Å; C50-C86 HydrophobicContact CB-CB 4.12Å; C50-I199 HydrophobicContact CB-CD1 4.26Å
51A98.6Very high97.9Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-60.1-43178.200000111.4G47 Q48 I54 T55 H89 L90 F93G47-A51 PolarHBondContact O-N 2.97Å; Q48-A51 PolarHBondContact O-N 3.46Å; A51-I54 PolarHBondContact O-N 3Å; A51-T55 VanDerWaalsContact O-CG2 3.25Å; A51-T55 WeakPolarHBondContact O-CG2 3.42Å; A51-T55 PolarHBondContact O-N 3.13Å; A51-H89 HydrophobicContact CB-CB 3.51Å; A51-L90 HydrophobicContact CB-CD2 4.17Å; A51-L90 HydrophobicContact CB-CG 3.95Å; A51-F93 HydrophobicContact CB-CD2 4.18Å; A51-F93 HydrophobicContact CB-CE2 3.81Å
52L98.1Very high97.8Very high48 Ų4834.4 Ų34.425%0.25120%0.197SC..Hα-helixtrans-65.1-38.5176.5-67.6170.8000112.9Q48 A49 C50 I54 T55 K56 F93 C242 L243Q48-L52 HydrophobicContact CG-CD1 4.33Å; Q48-L52 WeakPolarHBondContact O-CG 3.39Å; Q48-L52 PolarHBondContact O-N 2.84Å; A49-L52 PolarHBondContact O-N 2.8Å; C50-L52 VanDerWaalsContact C-N 3.31Å; C50-L52 PolarHBondContact O-N 3.37Å; L52-I54 VanDerWaalsContact C-N 3.3Å; L52-I54 PolarHBondContact O-N 3.03Å; L52-T55 PolarHBondContact O-N 3.16Å; L52-T55 PolarHBondContact O-OG1 3.38Å; L52-K56 PolarHBondContact O-N 2.84Å; L52-K56 VanDerWaalsContact O-N 3.08Å; L52-F93 HydrophobicContact CD2-CE2 3.8Å; L52-F93 HydrophobicContact CD2-CZ 3.76Å; L52-F93 HydrophobicContact CG-CE2 4.2Å; L52-F93 HydrophobicContact CG-CZ 4.36Å; L52-C242 WeakPolarHBondContact CD1-SG 3.5Å; L52-L243 HydrophobicContact CB-CD2 3.4Å
53A98.3Very high97.7Very high0 Ų035.7 Ų35.70%020%0.204CC..Hα-helixtrans-64.6-39.3175.600000111A49 C50 K56 A57 I199 F216 L243A49-A53 PolarHBondContact O-N 3.15Å; C50-A53 PolarHBondContact O-N 3.43Å; A53-K56 PolarHBondContact O-N 3.26Å; A53-A57 WeakPolarHBondContact O-CB 3.46Å; A53-A57 PolarHBondContact O-N 3.38Å; A53-I199 HydrophobicContact CB-CD1 3.78Å; A53-I199 HydrophobicContact CB-CG1 3.93Å; A53-I199 HydrophobicContact CB-CG2 4.21Å; A53-F216 HydrophobicContact CB-CB 4.01Å; A53-F216 HydrophobicContact CB-CD1 4.47Å; A53-F216 HydrophobicContact CB-CD2 4.29Å; A53-F216 HydrophobicContact CB-CG 3.98Å; A53-L243 HydrophobicContact CB-CD2 4.38Å
54I98.4Very high97.5Very high0 Ų040.6 Ų40.60%024%0.239CC..Hα-helixtrans-64.7-43.2175.5-69.2162.5000111.4C50 A51 L52 K56 A57 Y58 L90 L141 I143 V175 I199C50-I54 WeakPolarHBondContact O-CD1 3.3Å; C50-I54 WeakPolarHBondContact O-CG1 3.46Å; C50-I54 PolarHBondContact O-N 2.8Å; A51-I54 PolarHBondContact O-N 3Å; L52-I54 VanDerWaalsContact C-N 3.3Å; L52-I54 PolarHBondContact O-N 3.03Å; I54-K56 VanDerWaalsContact C-N 3.25Å; I54-K56 PolarHBondContact O-N 2.99Å; I54-A57 PolarHBondContact O-N 2.96Å; I54-Y58 PolarHBondContact O-N 3.35Å; I54-L90 HydrophobicContact CB-CD2 4.23Å; I54-L90 HydrophobicContact CD1-CD1 4.12Å; I54-L90 HydrophobicContact CG2-CD1 4.47Å; I54-L90 HydrophobicContact CG2-CD2 3.9Å; I54-L141 HydrophobicContact CG2-CD1 4.28Å; I54-I143 HydrophobicContact CD1-CD1 3.35Å; I54-I143 HydrophobicContact CD1-CG1 3.8Å; I54-V175 HydrophobicContact CD1-CG1 4.32Å; I54-V175 HydrophobicContact CG1-CG1 3.92Å; I54-I199 HydrophobicContact CD1-CD1 4.37Å; I54-I199 HydrophobicContact CG1-CD1 3.96Å
55T97.9Very high97.3Very high34 Ų3441 Ų4121%0.20924%0.239CC..Hα-helixtrans-66.5-29.4178.6670000112.6A51 L52 P59 L90 F93 Y95A51-T55 VanDerWaalsContact O-CG2 3.25Å; A51-T55 WeakPolarHBondContact O-CG2 3.42Å; A51-T55 PolarHBondContact O-N 3.13Å; L52-T55 PolarHBondContact O-N 3.16Å; L52-T55 PolarHBondContact O-OG1 3.38Å; T55-P59 VanDerWaalsContact O-CA 3.25Å; T55-P59 WeakPolarHBondContact O-CA 3.5Å; T55-L90 HydrophobicContact CG2-CD2 4.11Å; T55-F93 HydrophobicContact CG2-CB 4.05Å; T55-F93 HydrophobicContact CG2-CD2 3.63Å; T55-F93 HydrophobicContact CG2-CE2 4.48Å; T55-F93 HydrophobicContact CG2-CG 4.19Å; T55-Y95 WeakPolarHBondContact CA-OH 3.47Å; T55-Y95 HydrophobicContact CG2-CD2 4.31Å; T55-Y95 HydrophobicContact CG2-CE2 3.46Å; T55-Y95 VanDerWaalsContact CG2-CE2 3.46Å
56K97.3Very high97Very high106 Ų10648.7 Ų48.746%0.46127%0.271SS..Hα-helixtrans-73.8-42.2173-167.3170.3-176.4172.50112.2L52 A53 I54 F216 L243L52-K56 PolarHBondContact O-N 2.84Å; L52-K56 VanDerWaalsContact O-N 3.08Å; A53-K56 PolarHBondContact O-N 3.26Å; I54-K56 VanDerWaalsContact C-N 3.25Å; I54-K56 PolarHBondContact O-N 2.99Å; K56-F216 HydrophobicContact CD-CE1 4.02Å; K56-F216 HydrophobicContact CG-CE1 4.35Å; K56-L243 HydrophobicContact CD-CD1 3.69Å
57A97.8Very high97Very high10 Ų1053.9 Ų53.98%0.08330%0.295CS..Hα-helixtrans-71.8-36.4-179.700000113A53 I54 V197 F216A53-A57 WeakPolarHBondContact O-CB 3.46Å; A53-A57 PolarHBondContact O-N 3.38Å; I54-A57 PolarHBondContact O-N 2.96Å; A57-V197 HydrophobicContact CB-CG2 4.04Å; A57-F216 HydrophobicContact CB-CE2 3.8Å; A57-F216 HydrophobicContact CB-CZ 4.2Å
58Y98Very high97Very high24 Ų2454.9 Ų54.99%0.09430%0.302CS..SBendtrans-135.367.3-175.2-58-77.1000111.1I54 Y95 L141 P173 V175 E196 V197I54-Y58 PolarHBondContact O-N 3.35Å; Y58-Y95 PolarHBondContact O-OH 3.29Å; Y58-L141 HydrophobicContact CD2-CD2 4.09Å; Y58-L141 HydrophobicContact CG-CD2 4.01Å; Y58-P173 HydrophobicContact CE1-CB 3.98Å; Y58-P173 HydrophobicContact CE1-CG 3.94Å; Y58-P173 WeakPolarHBondContact OH-CB 3.27Å; Y58-V175 HydrophobicContact CD2-CG2 4.25Å; Y58-V175 HydrophobicContact CE2-CG2 3.58Å; Y58-E196 WeakPolarHBondContact OH-CG 3.45Å; Y58-E196 PolarHBondContact OH-OE1 3.22Å; Y58-V197 HydrophobicContact CE2-CG2 3.56Å; Y58-V197 WeakPolarHBondContact OH-CG2 3.41Å
59P98.1Very high97Very high51 Ų5152.1 Ų52.133%0.33129%0.29SS..  trans-59.8149.1178.425.8-33.6000110.6T55 S61 A62 L63T55-P59 VanDerWaalsContact O-CA 3.25Å; T55-P59 WeakPolarHBondContact O-CA 3.5Å; P59-S61 PolarHBondContact O-N 3.04Å; P59-A62 HydrophobicContact CG-CB 3.78Å; P59-A62 WeakPolarHBondContact O-CA 3.38Å; P59-A62 PolarHBondContact O-N 2.89Å; P59-L63 PolarHBondContact O-N 3.27Å
60L98Very high97Very high76 Ų7652 Ų5240%0.39829%0.289SS..G310 helixtrans-50.2-37.5-176.1-67.5171.3000113.4A62 L63 P68 D94 Y95L60-A62 VanDerWaalsContact C-N 3.26Å; L60-A62 PolarHBondContact O-N 2.97Å; L60-L63 HydrophobicContact CD2-CD1 4.15Å; L60-L63 PolarHBondContact O-N 2.79Å; L60-P68 HydrophobicContact CD2-CB 3.43Å; L60-P68 VanDerWaalsContact CD2-CB 3.43Å; L60-P68 HydrophobicContact CD2-CG 4.05Å; L60-D94 HydrophobicContact CD1-CB 3.99Å; L60-Y95 HydrophobicContact CD2-CD1 3.99Å; L60-Y95 HydrophobicContact CD2-CD2 3.93Å; L60-Y95 HydrophobicContact CD2-CE1 3.85Å; L60-Y95 HydrophobicContact CD2-CE2 3.74Å; L60-Y95 HydrophobicContact CD2-CG 4.03Å; L60-Y95 HydrophobicContact CG-CE2 4.01Å
61S96.4Very high97.1Very high120 Ų12052 Ų5284%0.83929%0.289SS*.G310 helixtrans-70.4-17.2178.9550000114.6P59P59-S61 PolarHBondContact O-N 3.04Å
62A95.4Very high97.1Very high71 Ų7152 Ų5259%0.58729%0.289SS*.G310 helixtrans-100.9-2.3179.600000113.1P59 L60P59-A62 HydrophobicContact CG-CB 3.78Å; P59-A62 WeakPolarHBondContact O-CA 3.38Å; P59-A62 PolarHBondContact O-N 2.89Å; L60-A62 VanDerWaalsContact C-N 3.26Å; L60-A62 PolarHBondContact O-N 2.97Å
63L96.6Very high97.1Very high27 Ų2749.7 Ų49.714%0.14128%0.277CS..  trans-69.5138.6177.6-63-177.8000110.8P59 L60 P68 Y95 N140 L141P59-L63 PolarHBondContact O-N 3.27Å; L60-L63 HydrophobicContact CD2-CD1 4.15Å; L60-L63 PolarHBondContact O-N 2.79Å; L63-P68 HydrophobicContact CD1-CB 3.45Å; L63-P68 VanDerWaalsContact CD1-CB 3.45Å; L63-Y95 HydrophobicContact CD1-CD1 4.25Å; L63-Y95 HydrophobicContact CD1-CE1 3.93Å; L63-N140 HydrophobicContact CD2-CB 4.01Å; L63-L141 HydrophobicContact CD2-CD2 4.3Å
64S92.1Very high97.1Very high104 Ų10449.7 Ų49.773%0.72728%0.277SS*.SBendtrans-74.4-31.5-17660.10000113N140S64-N140 PolarHBondContact N-OD1 2.88Å; S64-N140 PolarHBondContact OG-OD1 2.84Å
65K94.3Very high96.9Very high54 Ų5449.8 Ų49.824%0.23528%0.277CS..SBendtrans-94.7151.1-179.9-57.8176.8170.467.70110.4Q67 N136 D137 Y139 N140K65-Q67 VanDerWaalsContact C-N 3.31Å; K65-Q67 PolarHBondContact O-N 3.23Å; K65-N136 WeakPolarHBondContact CE-O 3.43Å; K65-N136 PolarHBondContact NZ-O 3.32Å; K65-D137 VanDerWaalsContact CE-C 3.47Å; K65-D137 WeakPolarHBondContact CE-O 3.43Å; K65-Y139 WeakPolarHBondContact CE-O 3.5Å; K65-Y139 PolarHBondContact NZ-O 2.95Å; K65-N140 VanDerWaalsContact CB-OD1 3.3Å; K65-N140 WeakPolarHBondContact CB-OD1 3.42Å; K65-N140 PolarHBondContact N-OD1 3.1Å
66K92Very high96.6Very high216 Ų21649.4 Ų49.494%0.93928%0.275SS*.SBendtrans-59.7-40179.9-176.1-178.4178.3-174.60112.8
67Q96.9Very high96.3Very high113 Ų11349.3 Ų49.353%0.52828%0.28SS..SBendtrans-93.5140.9175-70.2-177-63.800109.5K65 T69 E96 N140K65-Q67 VanDerWaalsContact C-N 3.31Å; K65-Q67 PolarHBondContact O-N 3.23Å; Q67-T69 HydrophobicContact CB-CG2 3.9Å; Q67-T69 PolarHBondContact O-N 2.98Å; Q67-E96 PolarHBondContact NE2-OE2 3.37Å; Q67-N140 PolarHBondContact O-ND2 2.83Å
68P97.8Very high96.2Very high22 Ų2251 Ų5114%0.14329%0.286CS..  trans-83.151.6-177.735.5-36.1000112L60 L63 D94 Y95 E96L60-P68 HydrophobicContact CD2-CB 3.43Å; L60-P68 VanDerWaalsContact CD2-CB 3.43Å; L60-P68 HydrophobicContact CD2-CG 4.05Å; L63-P68 HydrophobicContact CD1-CB 3.45Å; L63-P68 VanDerWaalsContact CD1-CB 3.45Å; P68-D94 WeakPolarHBondContact CG-O 3.37Å; P68-Y95 HydrophobicContact CB-CD1 4.21Å; P68-E96 HydrophobicContact CG-CG 4.11Å; P68-E96 PolarHBondContact O-N 2.89Å
69T98.6Very high96Very high16 Ų1650.3 Ų50.310%0.09828%0.284CS..EExtended strand (participates in β ladder)trans-71.4133.1-174.550.50000112.1Q67 E96 A138 Y139 N140Q67-T69 HydrophobicContact CB-CG2 3.9Å; Q67-T69 PolarHBondContact O-N 2.98Å; T69-E96 WeakPolarHBondContact CA-O 3.34Å; T69-E96 HydrophobicContact CG2-CB 4.28Å; T69-A138 VanDerWaalsContact CB-O 3.28Å; T69-A138 WeakPolarHBondContact CB-O 3.43Å; T69-A138 PolarHBondContact OG1-O 2.95Å; T69-Y139 WeakPolarHBondContact OG1-CA 3.48Å; T69-N140 PolarHBondContact N-ND2 2.94Å; T69-N140 VanDerWaalsContact N-ND2 3.17Å; T69-N140 WeakPolarHBondContact O-CB 3.48Å; T69-N140 PolarHBondContact O-N 2.82Å; T69-N140 PolarHBondContact O-ND2 2.81Å; T69-N140 PolarHBondContact OG1-ND2 2.81Å
70V98.8Very high96Very high0 Ų047.9 Ų47.90%027%0.269CS..EExtended strand (participates in β ladder)trans-133.7129.2-179.8-179.70000109.6V72 L90 Y95 E96 P97 T98 L141 I143V70-V72 HydrophobicContact CG1-CG2 4.26Å; V70-L90 HydrophobicContact CG1-CD1 4.41Å; V70-Y95 HydrophobicContact CG2-CD1 3.77Å; V70-Y95 HydrophobicContact CG2-CG 4.48Å; V70-E96 PolarHBondContact N-O 2.83Å; V70-P97 CarbonylContact O-C 3.46Å; V70-P97 VanDerWaalsContact O-CA 3.27Å; V70-P97 WeakPolarHBondContact O-CA 3.35Å; V70-T98 PolarHBondContact O-N 3.41Å; V70-L141 HydrophobicContact CG1-CD1 3.64Å; V70-L141 HydrophobicContact CG1-CG 4Å; V70-L141 HydrophobicContact CG2-CD1 4.34Å; V70-L141 HydrophobicContact CG2-CD2 4.08Å; V70-L141 HydrophobicContact CG2-CG 4.03Å; V70-I143 HydrophobicContact CG1-CD1 3.7Å; V70-I143 HydrophobicContact CG1-CG1 3.78Å
71L98.9Very high96Very high0 Ų044.4 Ų44.40%025%0.251CS..EExtended strand (participates in β ladder)trans-94.2124.3172.5176.762.7000109.6I73 T98 L125 L128 I135 Y139 L141 V142 I143L71-I73 HydrophobicContact CD2-CD1 4.18Å; L71-I73 HydrophobicContact CD2-CG1 4.23Å; L71-I73 HydrophobicContact CG-CG1 4.03Å; L71-T98 CarbonylContact C-O 3.56Å; L71-T98 WeakPolarHBondContact CA-O 3.24Å; L71-L125 HydrophobicContact CD1-CD1 3.83Å; L71-L128 HydrophobicContact CD2-CD1 3.78Å; L71-I135 HydrophobicContact CD2-CG2 4.13Å; L71-Y139 HydrophobicContact CB-CD1 3.76Å; L71-Y139 HydrophobicContact CB-CD2 3.86Å; L71-Y139 HydrophobicContact CB-CE1 3.98Å; L71-Y139 HydrophobicContact CB-CE2 4.07Å; L71-Y139 HydrophobicContact CB-CG 3.7Å; L71-Y139 HydrophobicContact CD1-CE2 4.36Å; L71-Y139 HydrophobicContact CD2-CD2 4.25Å; L71-Y139 HydrophobicContact CD2-CE2 4.16Å; L71-Y139 HydrophobicContact CG-CE2 4.43Å; L71-L141 PolarHBondContact N-O 2.94Å; L71-V142 HydrophobicContact CB-CG2 4.25Å; L71-V142 HydrophobicContact CD2-CG1 4.41Å; L71-V142 HydrophobicContact CD2-CG2 4.26Å; L71-V142 HydrophobicContact CG-CG1 4.44Å; L71-V142 CarbonylContact O-C 3.57Å; L71-V142 VanDerWaalsContact O-CA 3.31Å; L71-V142 WeakPolarHBondContact O-CA 3.49Å; L71-I143 PolarHBondContact O-N 2.85Å
72V98.9Very high96.1Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-110.1116177.7-166.60000109.2V70 A87 P97 T98 V99 Y100 I143V70-V72 HydrophobicContact CG1-CG2 4.26Å; V72-A87 HydrophobicContact CB-CB 4.34Å; V72-A87 HydrophobicContact CG1-CB 4.37Å; V72-A87 HydrophobicContact CG2-CB 3.87Å; V72-P97 HydrophobicContact CG2-CB 4.2Å; V72-T98 PolarHBondContact N-O 2.88Å; V72-V99 HydrophobicContact CB-CG2 4.34Å; V72-V99 CarbonylContact O-C 3.48Å; V72-V99 WeakPolarHBondContact O-CA 3.34Å; V72-Y100 PolarHBondContact O-N 2.96Å; V72-I143 HydrophobicContact CB-CB 4.48Å; V72-I143 HydrophobicContact CG1-CB 4.1Å; V72-I143 HydrophobicContact CG1-CD1 4.36Å; V72-I143 HydrophobicContact CG1-CG2 4.3Å; V72-I143 HydrophobicContact CG2-CB 4.5Å; V72-I143 HydrophobicContact CG2-CD1 3.81Å; V72-I143 HydrophobicContact CG2-CG1 4.46Å
73I98.6Very high96.2Very high0 Ų035.5 Ų35.50%018%0.184CC..EExtended strand (participates in β ladder)trans-103.4114.6-179.4-49-176.6000109.5L71 Y100 L128 V142 I143 A145 M146 I163 L167L71-I73 HydrophobicContact CD2-CD1 4.18Å; L71-I73 HydrophobicContact CD2-CG1 4.23Å; L71-I73 HydrophobicContact CG-CG1 4.03Å; I73-Y100 WeakPolarHBondContact CA-O 3.43Å; I73-Y100 HydrophobicContact CG2-CD1 3.98Å; I73-L128 HydrophobicContact CD1-CD1 4.34Å; I73-L128 HydrophobicContact CD1-CD2 4.42Å; I73-V142 HydrophobicContact CD1-CG1 3.78Å; I73-V142 HydrophobicContact CG1-CG1 3.98Å; I73-I143 PolarHBondContact N-O 2.57Å; I73-A145 CarbonylContact O-C 3.5Å; I73-A145 WeakPolarHBondContact O-CA 3.45Å; I73-A145 PolarHBondContact O-N 2.97Å; I73-M146 HydrophobicContact CB-CG 3.96Å; I73-M146 HydrophobicContact CB-SD 4.38Å; I73-M146 HydrophobicContact CG2-CG 3.41Å; I73-M146 VanDerWaalsContact CG2-CG 3.41Å; I73-M146 HydrophobicContact CG2-SD 3.53Å; I73-M146 VanDerWaalsContact CG2-SD 3.53Å; I73-M146 PolarHBondContact O-N 3.3Å; I73-I163 HydrophobicContact CD1-CG2 3.99Å; I73-I163 HydrophobicContact CG2-CG2 4.27Å; I73-L167 HydrophobicContact CD1-CD1 4.18Å; I73-L167 HydrophobicContact CD1-CD2 3.8Å; I73-L167 HydrophobicContact CD1-CG 4.33Å
74C97.9Very high96.3Very high0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-109.5130.1-172.1-60.90000112.2G80 Y100 H101C74-G80 PolarHBondContact SG-O 3.03Å; C74-Y100 PolarHBondContact N-O 3.44Å; C74-H101 HydrophobicContact CB-CB 4.16Å; C74-H101 PolarHBondContact O-ND1 2.89Å
75G95.4Very high96.7Very high1 Ų129.4 Ų29.41%0.0114%0.143CC..  trans-77.7-178.6170.500000113.9D77 G80 H101 A145 M146G75-D77 VanDerWaalsContact C-N 3.34Å; G75-G80 WeakPolarHBondContact O-CA 3.44Å; G75-H101 PolarHBondContact O-CE1 2.8Å; G75-H101 PolarHBondContact O-ND1 2.9Å; G75-A145 PolarHBondContact N-O 3.25Å; G75-M146 WeakPolarHBondContact CA-O 3.48Å
76P90.6Very high96.9Very high26 Ų2626.9 Ų26.917%0.16913%0.132CC..SBendtrans-83.7-12.2-173.531.1-21.1000113.6K103 S105 Y160P76-K103 WeakPolarHBondContact CA-O 3.47Å; P76-K103 HydrophobicContact CB-CB 4.22Å; P76-K103 WeakPolarHBondContact CB-O 3.43Å; P76-S105 WeakPolarHBondContact O-CB 3.26Å; P76-S105 PolarHBondContact O-OG 3.21Å; P76-Y160 WeakPolarHBondContact CD-OH 3.45Å; P76-Y160 HydrophobicContact CG-CE2 4.16Å; P76-Y160 WeakPolarHBondContact CG-OH 3.42Å
77D91.4Very high97.2Very high104 Ų10416.6 Ų16.656%0.5569%0.087SC*.SBendtrans-113.1-160.8-169.1-54.6-52.3000111.4G75 N79 G80 S81G75-D77 VanDerWaalsContact C-N 3.34Å; D77-N79 VanDerWaalsContact C-N 3.32Å; D77-N79 PolarHBondContact O-N 2.88Å; D77-G80 PolarHBondContact O-N 3.19Å; D77-G80 VanDerWaalsContact O-N 3.1Å; D77-S81 PolarHBondContact O-N 2.98Å
78Q94.8Very high97.3Very high45 Ų4512.6 Ų12.621%0.217%0.067CC..Hα-helixtrans-54.2-42.7-176.6-176.1157.1-67.800113.5E28 I43 W46 G80 S81 I82E28-Q78 PolarHBondContact OE1-NE2 3.07Å; E28-Q78 PolarHBondContact OE1-OE1 3.4Å; E28-Q78 PolarHBondContact OE2-NE2 3.45Å; I43-Q78 HydrophobicContact CD1-CG 4.18Å; I43-Q78 HydrophobicContact CG1-CG 4.07Å; W46-Q78 VanDerWaalsContact CZ3-NE2 3.34Å; Q78-G80 VanDerWaalsContact C-N 3.28Å; Q78-G80 PolarHBondContact O-N 3.45Å; Q78-S81 WeakPolarHBondContact O-CA 3.35Å; Q78-S81 WeakPolarHBondContact O-CB 3.43Å; Q78-S81 PolarHBondContact O-N 2.91Å; Q78-I82 HydrophobicContact CG-CD1 4.21Å; Q78-I82 WeakPolarHBondContact O-CG1 3.22Å; Q78-I82 PolarHBondContact O-N 2.68Å
79N95.1Very high97.3Very high10 Ų1012.3 Ų12.35%0.0536%0.064CC..Hα-helixtrans-61.1-40-179.6-15129.2000111.6D77 S81 I82 G83 A145 L147 V177D77-N79 VanDerWaalsContact C-N 3.32Å; D77-N79 PolarHBondContact O-N 2.88Å; N79-S81 VanDerWaalsContact C-N 3.3Å; N79-S81 PolarHBondContact O-N 2.76Å; N79-I82 WeakPolarHBondContact O-CB 3.13Å; N79-I82 PolarHBondContact O-N 3.44Å; N79-G83 PolarHBondContact O-N 3.3Å; N79-A145 CarbonylContact C-O 3.5Å; N79-L147 PolarHBondContact ND2-O 3.24Å; N79-V177 PolarHBondContact ND2-O 3.05Å; N79-V177 VanDerWaalsContact OD1-CG1 3.25Å; N79-V177 WeakPolarHBondContact OD1-CG1 3.5Å
80G97.3Very high97.4Very high1 Ų111.5 Ų11.51%0.016%0.059CC..Hα-helixtrans-63.7-34.4174.400000113.2C74 G75 D77 Q78 G83 L84 A145C74-G80 PolarHBondContact SG-O 3.03Å; G75-G80 WeakPolarHBondContact O-CA 3.44Å; D77-G80 PolarHBondContact O-N 3.19Å; D77-G80 VanDerWaalsContact O-N 3.1Å; Q78-G80 VanDerWaalsContact C-N 3.28Å; Q78-G80 PolarHBondContact O-N 3.45Å; G80-G83 PolarHBondContact O-N 2.85Å; G80-L84 WeakPolarHBondContact O-CG 3.41Å; G80-L84 PolarHBondContact O-N 3.29Å; G80-A145 VanDerWaalsContact CA-O 3.25Å; G80-A145 WeakPolarHBondContact CA-O 3.38Å; G80-A145 PolarHBondContact N-O 3.22Å
81S97.9Very high97.3Very high2 Ų216.2 Ų16.21%0.0148%0.077CC..Hα-helixtrans-70.1-36.7174.3-64.80000113.3D77 Q78 N79 G83 L84 V85 H110D77-S81 PolarHBondContact O-N 2.98Å; Q78-S81 WeakPolarHBondContact O-CA 3.35Å; Q78-S81 WeakPolarHBondContact O-CB 3.43Å; Q78-S81 PolarHBondContact O-N 2.91Å; N79-S81 VanDerWaalsContact C-N 3.3Å; N79-S81 PolarHBondContact O-N 2.76Å; S81-G83 VanDerWaalsContact C-N 3.27Å; S81-G83 PolarHBondContact O-N 3.46Å; S81-L84 PolarHBondContact O-N 2.82Å; S81-V85 WeakPolarHBondContact O-CG2 3.39Å; S81-V85 PolarHBondContact O-N 3.22Å; S81-H110 PolarHBondContact OG-ND1 3.13Å
82I98.4Very high97.3Very high5 Ų520.6 Ų20.63%0.02610%0.1CC..Hα-helixtrans-61-42.3170.6-62.8168.1000109.4I43 W46 Q78 N79 L84 V85 C86 V177 L201I43-I82 HydrophobicContact CG2-CG1 4.13Å; W46-I82 HydrophobicContact CB-CD1 4.11Å; W46-I82 HydrophobicContact CB-CG1 4.13Å; W46-I82 HydrophobicContact CB-CG2 4.03Å; W46-I82 HydrophobicContact CD2-CD1 4.3Å; W46-I82 HydrophobicContact CE3-CD1 3.78Å; W46-I82 HydrophobicContact CE3-CG1 4.25Å; W46-I82 HydrophobicContact CG-CD1 4.48Å; Q78-I82 HydrophobicContact CG-CD1 4.21Å; Q78-I82 WeakPolarHBondContact O-CG1 3.22Å; Q78-I82 PolarHBondContact O-N 2.68Å; N79-I82 WeakPolarHBondContact O-CB 3.13Å; N79-I82 PolarHBondContact O-N 3.44Å; I82-L84 PolarHBondContact O-N 3.37Å; I82-V85 PolarHBondContact O-N 3.5Å; I82-C86 VanDerWaalsContact O-CB 3.26Å; I82-C86 WeakPolarHBondContact O-CB 3.49Å; I82-C86 PolarHBondContact O-N 2.91Å; I82-V177 HydrophobicContact CB-CG1 4.42Å; I82-V177 HydrophobicContact CG2-CG1 3.71Å; I82-L201 HydrophobicContact CD1-CD1 3.67Å; I82-L201 HydrophobicContact CG2-CD1 4.34Å
83G98.7Very high97.3Very high0 Ų023.2 Ų23.20%011%0.111CC..Hα-helixtrans-58.3-44.1172.100000113.6N79 G80 S81 C86 A87N79-G83 PolarHBondContact O-N 3.3Å; G80-G83 PolarHBondContact O-N 2.85Å; S81-G83 VanDerWaalsContact C-N 3.27Å; S81-G83 PolarHBondContact O-N 3.46Å; G83-C86 WeakPolarHBondContact O-CB 3.42Å; G83-C86 PolarHBondContact O-N 3.43Å; G83-A87 PolarHBondContact O-N 3.28Å
84L98.7Very high97.3Very high2 Ų228.7 Ų28.71%0.0114%0.141CC..Hα-helixtrans-62.8-46.3176.2-70.3168.9000111.9G80 S81 I82 C86 A87 R88 V99 F113 T114 C117 F124G80-L84 WeakPolarHBondContact O-CG 3.41Å; G80-L84 PolarHBondContact O-N 3.29Å; S81-L84 PolarHBondContact O-N 2.82Å; I82-L84 PolarHBondContact O-N 3.37Å; L84-C86 VanDerWaalsContact C-N 3.32Å; L84-C86 PolarHBondContact O-N 2.81Å; L84-A87 WeakPolarHBondContact O-CB 3.18Å; L84-A87 PolarHBondContact O-N 3.46Å; L84-R88 PolarHBondContact O-N 3.4Å; L84-V99 HydrophobicContact CD2-CG1 3.95Å; L84-V99 HydrophobicContact CD2-CG2 4.47Å; L84-F113 HydrophobicContact CB-CB 4.01Å; L84-F113 HydrophobicContact CD1-CB 4Å; L84-T114 WeakPolarHBondContact CD1-OG1 3.19Å; L84-C117 PolarHBondContact O-SG 2.96Å; L84-F124 HydrophobicContact CD2-CE1 3.99Å; L84-F124 HydrophobicContact CD2-CZ 3.86Å
85V98.8Very high97.3Very high1 Ų128.9 Ų28.91%0.00614%0.141CC..Hα-helixtrans-60.6-44.2174.2171.80000110.6I43 S81 I82 A87 R88 H89 F113I43-V85 HydrophobicContact CG2-CG2 3.95Å; S81-V85 WeakPolarHBondContact O-CG2 3.39Å; S81-V85 PolarHBondContact O-N 3.22Å; I82-V85 PolarHBondContact O-N 3.5Å; V85-A87 PolarHBondContact O-N 3.23Å; V85-R88 WeakPolarHBondContact O-CB 3.49Å; V85-R88 PolarHBondContact O-N 3.47Å; V85-R88 VanDerWaalsContact O-N 3.13Å; V85-H89 PolarHBondContact O-CD2 3.24Å; V85-H89 VanDerWaalsContact O-CD2 3.27Å; V85-H89 PolarHBondContact O-N 3.38Å; V85-F113 HydrophobicContact CG2-CD1 3.33Å; V85-F113 HydrophobicContact CG2-CE1 3.28Å; V85-F113 HydrophobicContact CG2-CG 4.04Å; V85-F113 HydrophobicContact CG2-CZ 3.95Å
86C98.9Very high97.5Very high0 Ų032.5 Ų32.50%016%0.158CC..Hα-helixtrans-57.6-47.1176.5-1770000111.4G47 C50 I82 G83 L84 R88 H89 L90G47-C86 WeakPolarHBondContact O-CA 3.43Å; C50-C86 HydrophobicContact CB-CB 4.12Å; I82-C86 VanDerWaalsContact O-CB 3.26Å; I82-C86 WeakPolarHBondContact O-CB 3.49Å; I82-C86 PolarHBondContact O-N 2.91Å; G83-C86 WeakPolarHBondContact O-CB 3.42Å; G83-C86 PolarHBondContact O-N 3.43Å; L84-C86 VanDerWaalsContact C-N 3.32Å; L84-C86 PolarHBondContact O-N 2.81Å; C86-R88 VanDerWaalsContact C-N 3.3Å; C86-R88 PolarHBondContact O-N 3.26Å; C86-H89 PolarHBondContact O-N 2.73Å; C86-L90 WeakPolarHBondContact O-CB 3.45Å; C86-L90 VanDerWaalsContact O-CG 3.3Å; C86-L90 WeakPolarHBondContact O-CG 3.49Å; C86-L90 PolarHBondContact O-N 3.32Å
87A98.9Very high97.9Very high0 Ų031.4 Ų31.40%015%0.151CC..Hα-helixtrans-57.5-44.7175.400000111.3V72 G83 L84 V85 H89 L90 R91 P97 V99 I122V72-A87 HydrophobicContact CB-CB 4.34Å; V72-A87 HydrophobicContact CG1-CB 4.37Å; V72-A87 HydrophobicContact CG2-CB 3.87Å; G83-A87 PolarHBondContact O-N 3.28Å; L84-A87 WeakPolarHBondContact O-CB 3.18Å; L84-A87 PolarHBondContact O-N 3.46Å; V85-A87 PolarHBondContact O-N 3.23Å; A87-H89 PolarHBondContact O-N 3.35Å; A87-L90 PolarHBondContact O-N 2.95Å; A87-R91 PolarHBondContact O-N 3.37Å; A87-P97 HydrophobicContact CB-CB 4.2Å; A87-P97 WeakPolarHBondContact O-CG 3.29Å; A87-V99 HydrophobicContact CB-CG2 3.92Å; A87-I122 HydrophobicContact CB-CD1 4.42Å
88R98.7Very high98.2Very high29 Ų2927.4 Ų27.411%0.10913%0.13CC..Hα-helixtrans-61-43.8178.8-168.6172.654.358.12.4113E44 L84 V85 C86 R91 I92 M120 I122E44-R88 IonicContact OE1-CZ 2.95Å; E44-R88 IonicContact OE1-NH1 3.86Å; E44-R88 IonicContact OE1-NH2 3.4Å; E44-R88 PolarHBondContact OE1-NH2 3.33Å; E44-R88 IonicContact OE2-NH2 2.89Å; E44-R88 PolarHBondContact OE2-NH2 3.38Å; L84-R88 PolarHBondContact O-N 3.4Å; V85-R88 WeakPolarHBondContact O-CB 3.49Å; V85-R88 PolarHBondContact O-N 3.47Å; V85-R88 VanDerWaalsContact O-N 3.13Å; C86-R88 VanDerWaalsContact C-N 3.3Å; C86-R88 PolarHBondContact O-N 3.26Å; R88-R91 WeakPolarHBondContact O-CB 3.41Å; R88-R91 PolarHBondContact O-N 2.8Å; R88-I92 PolarHBondContact O-N 3.35Å; R88-M120 WeakPolarHBondContact CD-SD 3.25Å; R88-M120 HydrophobicContact CG-CE 4.08Å; R88-M120 HydrophobicContact CG-CG 4.38Å; R88-M120 HydrophobicContact CG-SD 3.18Å; R88-M120 WeakPolarHBondContact CG-SD 3.48Å; R88-I122 HydrophobicContact CB-CD1 4.48Å
89H98.8Very high98.4Very high16 Ų1625.3 Ų25.37%0.07412%0.12CC..Hα-helixtrans-70.3-39.5176.4-78.2-79.5000112.3E44 A51 V85 C86 A87 R91 I92 F93E44-H89 IonicContact OE1-CD2 3.84Å; E44-H89 IonicContact OE1-CE1 3.54Å; E44-H89 IonicContact OE1-NE2 2.75Å; E44-H89 PolarHBondContact OE1-NE2 3.07Å; A51-H89 HydrophobicContact CB-CB 3.51Å; V85-H89 PolarHBondContact O-CD2 3.24Å; V85-H89 VanDerWaalsContact O-CD2 3.27Å; V85-H89 PolarHBondContact O-N 3.38Å; C86-H89 PolarHBondContact O-N 2.73Å; A87-H89 PolarHBondContact O-N 3.35Å; H89-R91 PolarHBondContact O-N 3.46Å; H89-I92 WeakPolarHBondContact O-CA 3.32Å; H89-I92 WeakPolarHBondContact O-CB 3.36Å; H89-I92 PolarHBondContact O-N 2.93Å; H89-F93 HydrophobicContact CB-CE2 4.01Å; H89-F93 HydrophobicContact CB-CZ 4.31Å; H89-F93 WeakPolarHBondContact O-CD2 3.31Å; H89-F93 VanDerWaalsContact O-CG 3.28Å; H89-F93 WeakPolarHBondContact O-CG 3.32Å; H89-F93 PolarHBondContact O-N 2.9Å
90L98.9Very high98.6Very high0 Ų026 Ų260%012%0.122CC..Hα-helixtrans-58.7-37.5174.1-75.4172.7000112.2A51 I54 T55 V70 C86 A87 I92 F93 D94 Y95 I143A51-L90 HydrophobicContact CB-CD2 4.17Å; A51-L90 HydrophobicContact CB-CG 3.95Å; I54-L90 HydrophobicContact CB-CD2 4.23Å; I54-L90 HydrophobicContact CD1-CD1 4.12Å; I54-L90 HydrophobicContact CG2-CD1 4.47Å; I54-L90 HydrophobicContact CG2-CD2 3.9Å; T55-L90 HydrophobicContact CG2-CD2 4.11Å; V70-L90 HydrophobicContact CG1-CD1 4.41Å; C86-L90 WeakPolarHBondContact O-CB 3.45Å; C86-L90 VanDerWaalsContact O-CG 3.3Å; C86-L90 WeakPolarHBondContact O-CG 3.49Å; C86-L90 PolarHBondContact O-N 3.32Å; A87-L90 PolarHBondContact O-N 2.95Å; L90-I92 VanDerWaalsContact C-N 3.28Å; L90-I92 PolarHBondContact O-N 2.89Å; L90-F93 CarbonylContact O-C 3.53Å; L90-F93 PolarHBondContact O-N 2.87Å; L90-F93 VanDerWaalsContact O-N 3.11Å; L90-D94 PolarHBondContact O-N 2.8Å; L90-Y95 HydrophobicContact CD2-CD2 3.88Å; L90-Y95 HydrophobicContact CD2-CE2 4.24Å; L90-Y95 HydrophobicContact CD2-CG 4.07Å; L90-Y95 WeakPolarHBondContact O-CB 3.39Å; L90-Y95 PolarHBondContact O-N 3Å; L90-I143 HydrophobicContact CD1-CD1 3.41Å; L90-I143 VanDerWaalsContact CD1-CD1 3.41Å
91R98.7Very high98.6Very high98 Ų9826.6 Ų26.637%0.3713%0.125SC..Hα-helixtrans-60.4-37173.4-176.665-175.3115.3-1.8112.7A87 R88 H89 F93 P97 M120 I122A87-R91 PolarHBondContact O-N 3.37Å; R88-R91 WeakPolarHBondContact O-CB 3.41Å; R88-R91 PolarHBondContact O-N 2.8Å; H89-R91 PolarHBondContact O-N 3.46Å; R91-F93 VanDerWaalsContact C-N 3.33Å; R91-P97 HydrophobicContact CB-CG 3.95Å; R91-M120 HydrophobicContact CB-CE 4.43Å; R91-M120 HydrophobicContact CG-CE 4.23Å; R91-I122 HydrophobicContact CB-CD1 3.89Å; R91-I122 HydrophobicContact CB-CG1 4.19Å; R91-I122 HydrophobicContact CG-CD1 4.33Å; R91-I122 HydrophobicContact CG-CG1 4.13Å
92I98.4Very high98.4Very high92 Ų9228.5 Ų28.547%0.47214%0.137SC..Hα-helixtrans-71-32176-62.1168.2000110.8R88 H89 L90 D94 M120R88-I92 PolarHBondContact O-N 3.35Å; H89-I92 WeakPolarHBondContact O-CA 3.32Å; H89-I92 WeakPolarHBondContact O-CB 3.36Å; H89-I92 PolarHBondContact O-N 2.93Å; L90-I92 VanDerWaalsContact C-N 3.28Å; L90-I92 PolarHBondContact O-N 2.89Å; I92-D94 PolarHBondContact O-N 2.83Å; I92-M120 HydrophobicContact CD1-CE 4.13Å; I92-M120 HydrophobicContact CG1-CE 3.64Å
93F98.6Very high98Very high56 Ų5632.5 Ų32.525%0.24615%0.154CC..THydrogen-bonded Turntrans-85.723.3178.4-53.8-29.1000113.4A51 L52 T55 H89 L90 R91 Y95A51-F93 HydrophobicContact CB-CD2 4.18Å; A51-F93 HydrophobicContact CB-CE2 3.81Å; L52-F93 HydrophobicContact CD2-CE2 3.8Å; L52-F93 HydrophobicContact CD2-CZ 3.76Å; L52-F93 HydrophobicContact CG-CE2 4.2Å; L52-F93 HydrophobicContact CG-CZ 4.36Å; T55-F93 HydrophobicContact CG2-CB 4.05Å; T55-F93 HydrophobicContact CG2-CD2 3.63Å; T55-F93 HydrophobicContact CG2-CE2 4.48Å; T55-F93 HydrophobicContact CG2-CG 4.19Å; H89-F93 HydrophobicContact CB-CE2 4.01Å; H89-F93 HydrophobicContact CB-CZ 4.31Å; H89-F93 WeakPolarHBondContact O-CD2 3.31Å; H89-F93 VanDerWaalsContact O-CG 3.28Å; H89-F93 WeakPolarHBondContact O-CG 3.32Å; H89-F93 PolarHBondContact O-N 2.9Å; L90-F93 CarbonylContact O-C 3.53Å; L90-F93 PolarHBondContact O-N 2.87Å; L90-F93 VanDerWaalsContact O-N 3.11Å; R91-F93 VanDerWaalsContact C-N 3.33Å; F93-Y95 HydrophobicContact CB-CD2 4.04Å; F93-Y95 HydrophobicContact CB-CE2 4.23Å; F93-Y95 VanDerWaalsContact O-CD2 3.25Å; F93-Y95 WeakPolarHBondContact O-CD2 3.3Å; F93-Y95 PolarHBondContact O-N 3.4Å
94D98.4Very high97.3Very high115 Ų11539.1 Ų39.162%0.61518%0.179SC*.THydrogen-bonded Turntrans63.918.1177.5-59.3-51.5000116L60 P68 L90 I92L60-D94 HydrophobicContact CD1-CB 3.99Å; P68-D94 WeakPolarHBondContact CG-O 3.37Å; L90-D94 PolarHBondContact O-N 2.8Å; I92-D94 PolarHBondContact O-N 2.83Å
95Y98.8Very high96.7Very high4 Ų440 Ų402%0.01619%0.186CC..  trans-80.7162.1165.2-65.4-105.3000110.6T55 Y58 L60 L63 P68 V70 L90 F93 P97T55-Y95 WeakPolarHBondContact CA-OH 3.47Å; T55-Y95 HydrophobicContact CG2-CD2 4.31Å; T55-Y95 HydrophobicContact CG2-CE2 3.46Å; T55-Y95 VanDerWaalsContact CG2-CE2 3.46Å; Y58-Y95 PolarHBondContact O-OH 3.29Å; L60-Y95 HydrophobicContact CD2-CD1 3.99Å; L60-Y95 HydrophobicContact CD2-CD2 3.93Å; L60-Y95 HydrophobicContact CD2-CE1 3.85Å; L60-Y95 HydrophobicContact CD2-CE2 3.74Å; L60-Y95 HydrophobicContact CD2-CG 4.03Å; L60-Y95 HydrophobicContact CG-CE2 4.01Å; L63-Y95 HydrophobicContact CD1-CD1 4.25Å; L63-Y95 HydrophobicContact CD1-CE1 3.93Å; P68-Y95 HydrophobicContact CB-CD1 4.21Å; V70-Y95 HydrophobicContact CG2-CD1 3.77Å; V70-Y95 HydrophobicContact CG2-CG 4.48Å; L90-Y95 HydrophobicContact CD2-CD2 3.88Å; L90-Y95 HydrophobicContact CD2-CE2 4.24Å; L90-Y95 HydrophobicContact CD2-CG 4.07Å; L90-Y95 WeakPolarHBondContact O-CB 3.39Å; L90-Y95 PolarHBondContact O-N 3Å; F93-Y95 HydrophobicContact CB-CD2 4.04Å; F93-Y95 HydrophobicContact CB-CE2 4.23Å; F93-Y95 VanDerWaalsContact O-CD2 3.25Å; F93-Y95 WeakPolarHBondContact O-CD2 3.3Å; F93-Y95 PolarHBondContact O-N 3.4Å; Y95-P97 WeakPolarHBondContact O-CD 3.26Å
96E98.8Very high96.1Very high76 Ų7645.5 Ų45.536%0.35522%0.224SC..EExtended strand (participates in β ladder)trans-110.977.2176-69-179.3-17000109.6Q67 P68 T69 V70Q67-E96 PolarHBondContact NE2-OE2 3.37Å; P68-E96 HydrophobicContact CG-CG 4.11Å; P68-E96 PolarHBondContact O-N 2.89Å; T69-E96 WeakPolarHBondContact CA-O 3.34Å; T69-E96 HydrophobicContact CG2-CB 4.28Å; V70-E96 PolarHBondContact N-O 2.83Å
97P98.8Very high95.7Very high3 Ų349.8 Ų49.82%0.01924%0.244CC..EExtended strand (participates in β ladder)trans-73142.2179.430.5-34.8000111.2V70 V72 A87 R91 Y95 I122 P123V70-P97 CarbonylContact O-C 3.46Å; V70-P97 VanDerWaalsContact O-CA 3.27Å; V70-P97 WeakPolarHBondContact O-CA 3.35Å; V72-P97 HydrophobicContact CG2-CB 4.2Å; A87-P97 HydrophobicContact CB-CB 4.2Å; A87-P97 WeakPolarHBondContact O-CG 3.29Å; R91-P97 HydrophobicContact CB-CG 3.95Å; Y95-P97 WeakPolarHBondContact O-CD 3.26Å; P97-I122 HydrophobicContact CB-CG2 4.44Å; P97-I122 HydrophobicContact CG-CD1 4.12Å; P97-I122 HydrophobicContact CG-CG1 4.23Å; P97-I122 HydrophobicContact CG-CG2 4.19Å; P97-P123 WeakPolarHBondContact O-CD 3.24Å
98T98.8Very high95.4Very high21 Ų2153.3 Ų53.313%0.12927%0.269CS..EExtended strand (participates in β ladder)trans-121.8132.4165-620000107.9V70 L71 V72 P123 L125V70-T98 PolarHBondContact O-N 3.41Å; L71-T98 CarbonylContact C-O 3.56Å; L71-T98 WeakPolarHBondContact CA-O 3.24Å; V72-T98 PolarHBondContact N-O 2.88Å; T98-P123 HydrophobicContact CG2-CB 4.43Å; T98-P123 HydrophobicContact CG2-CG 4.14Å; T98-L125 HydrophobicContact CG2-CD1 4.13Å; T98-L125 HydrophobicContact CG2-CD2 3.81Å; T98-L125 HydrophobicContact CG2-CG 3.57Å
99V98.8Very high95.1Very high0 Ų052.7 Ų52.70%027%0.268CS..EExtended strand (participates in β ladder)trans-99.6136-177.9177.90000110.8V72 L84 A87 H101 I122 P123 F124 L125V72-V99 HydrophobicContact CB-CG2 4.34Å; V72-V99 CarbonylContact O-C 3.48Å; V72-V99 WeakPolarHBondContact O-CA 3.34Å; L84-V99 HydrophobicContact CD2-CG1 3.95Å; L84-V99 HydrophobicContact CD2-CG2 4.47Å; A87-V99 HydrophobicContact CB-CG2 3.92Å; V99-H101 HydrophobicContact CG1-CB 4Å; V99-I122 HydrophobicContact CG2-CG2 3.76Å; V99-P123 PolarHBondContact N-O 2.78Å; V99-F124 HydrophobicContact CB-CD1 3.82Å; V99-F124 HydrophobicContact CB-CD2 4.38Å; V99-F124 HydrophobicContact CB-CE1 3.76Å; V99-F124 HydrophobicContact CB-CE2 4.31Å; V99-F124 HydrophobicContact CB-CG 4.15Å; V99-F124 HydrophobicContact CB-CZ 4Å; V99-F124 HydrophobicContact CG1-CD1 3.65Å; V99-F124 HydrophobicContact CG1-CE1 3.35Å; V99-F124 HydrophobicContact CG1-CG 4.47Å; V99-F124 HydrophobicContact CG1-CZ 3.95Å; V99-F124 HydrophobicContact CG2-CE1 4.44Å; V99-F124 HydrophobicContact CG2-CZ 4.24Å; V99-F124 CarbonylContact O-C 3.6Å; V99-F124 VanDerWaalsContact O-CA 3.24Å; V99-F124 WeakPolarHBondContact O-CA 3.22Å; V99-L125 PolarHBondContact O-N 3.38Å
100Y98.4Very high94.7Very high25 Ų2552.8 Ų52.810%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-114.2115.3160.6-179.2-126.3000109.5V72 I73 C74 P102 L125 L128 I163V72-Y100 PolarHBondContact O-N 2.96Å; I73-Y100 WeakPolarHBondContact CA-O 3.43Å; I73-Y100 HydrophobicContact CG2-CD1 3.98Å; C74-Y100 PolarHBondContact N-O 3.44Å; Y100-P102 HydrophobicContact CE1-CB 4.09Å; Y100-P102 HydrophobicContact CE1-CG 3.94Å; Y100-P102 HydrophobicContact CE2-CB 4.12Å; Y100-L125 HydrophobicContact CD2-CB 4.02Å; Y100-L128 HydrophobicContact CD1-CB 3.77Å; Y100-L128 HydrophobicContact CD1-CD1 4.19Å; Y100-L128 HydrophobicContact CD1-CD2 4.46Å; Y100-L128 HydrophobicContact CD1-CG 4.38Å; Y100-L128 HydrophobicContact CE1-CB 3.5Å; Y100-L128 HydrophobicContact CE1-CD2 4.43Å; Y100-L128 HydrophobicContact CE1-CG 4.44Å; Y100-L128 HydrophobicContact CE2-CB 4.44Å; Y100-L128 HydrophobicContact CG-CB 4.34Å; Y100-I163 HydrophobicContact CD1-CD1 4.24Å; Y100-I163 HydrophobicContact CE1-CD1 3.57Å; Y100-I163 HydrophobicContact CE1-CG1 4.03Å
101H96.6Very high94.5Very high14 Ų1456.9 Ų56.97%0.06529%0.287CS..  trans-132.882.9-176.6-17425.6000109.9C74 G75 V99 K103 F124C74-H101 HydrophobicContact CB-CB 4.16Å; C74-H101 PolarHBondContact O-ND1 2.89Å; G75-H101 PolarHBondContact O-CE1 2.8Å; G75-H101 PolarHBondContact O-ND1 2.9Å; V99-H101 HydrophobicContact CG1-CB 4Å; H101-K103 PolarHBondContact CE1-O 2.93Å; H101-K103 PolarHBondContact O-N 3.39Å; H101-F124 HydrophobicContact CB-CD1 4.32Å; H101-F124 HydrophobicContact CB-CE1 4.21Å
102P93.8Very high94.4Very high42 Ų4255.6 Ų55.627%0.27329%0.288SS..SBendtrans-72.7-27.1-166.326-34.7000114.5Y100 P159 Y160 I163Y100-P102 HydrophobicContact CE1-CB 4.09Å; Y100-P102 HydrophobicContact CE1-CG 3.94Å; Y100-P102 HydrophobicContact CE2-CB 4.12Å; P102-P159 HydrophobicContact CB-CG 3.7Å; P102-P159 HydrophobicContact CG-CG 3.82Å; P102-Y160 HydrophobicContact CG-CE1 3.91Å; P102-I163 HydrophobicContact CG-CD1 4.06Å
103K91.1Very high94.4Very high88 Ų8851.3 Ų51.338%0.38327%0.265SS..SBendtrans-124.3100.4175.6-68.4-179.5173.7163.50109.2P76 H101 E158 Y160P76-K103 WeakPolarHBondContact CA-O 3.47Å; P76-K103 HydrophobicContact CB-CB 4.22Å; P76-K103 WeakPolarHBondContact CB-O 3.43Å; H101-K103 PolarHBondContact CE1-O 2.93Å; H101-K103 PolarHBondContact O-N 3.39Å; K103-E158 PolarHBondContact NZ-O 3.23Å; K103-Y160 HydrophobicContact CD-CE2 4.01Å
104R84.6Confident94.3Very high140 Ų14048.9 Ų48.953%0.52826%0.255SS..  trans-69.7135.5174.2-63.9-172.2179.1-151.7-4110.1E118R104-E118 IonicContact CZ-OE1 2.57Å; R104-E118 IonicContact NH1-OE1 3.22Å; R104-E118 PolarHBondContact NH1-OE1 3.03Å; R104-E118 IonicContact NH2-OE1 2.85Å; R104-E118 PolarHBondContact NH2-OE1 3.21Å
105S84.6Confident94.2Very high21 Ų2147.2 Ų47.215%0.14725%0.246CC..  trans-66.7150.6177-161.90000112.1P76 H107 H110 Q111P76-S105 WeakPolarHBondContact O-CB 3.26Å; P76-S105 PolarHBondContact O-OG 3.21Å; S105-H107 VanDerWaalsContact C-N 3.32Å; S105-H107 PolarHBondContact OG-N 3.04Å; S105-H110 PolarHBondContact OG-CD2 3.31Å; S105-Q111 WeakPolarHBondContact O-CG 3.49Å; S105-Q111 PolarHBondContact O-NE2 3.09Å
106S86.6Confident94.2Very high116 Ų11649.5 Ų49.581%0.81126%0.256SS*.SBendtrans-82.4-12167.355.90000112.9
107H90.9Very high94.2Very high90 Ų9045.9 Ų45.942%0.41724%0.239SC..SBendtrans-77.8127.9-178.9-166.5-85.1000110.9S105 L109 H110 Q111S105-H107 VanDerWaalsContact C-N 3.32Å; S105-H107 PolarHBondContact OG-N 3.04Å; H107-L109 VanDerWaalsContact C-N 3.31Å; H107-L109 WeakPolarHBondContact ND1-CB 3.44Å; H107-L109 PolarHBondContact ND1-N 2.93Å; H107-L109 PolarHBondContact O-N 3.3Å; H107-H110 PolarHBondContact O-N 2.98Å; H107-H110 VanDerWaalsContact O-N 3.08Å; H107-Q111 PolarHBondContact O-N 2.86Å
108S92.3Very high94.2Very high74 Ų7449.5 Ų49.552%0.51726%0.256SS..Hα-helixtrans-56.5-42.7-172.6580000112.9H110 Q111 D112S108-H110 VanDerWaalsContact C-N 3.26Å; S108-H110 PolarHBondContact O-N 2.57Å; S108-Q111 WeakPolarHBondContact O-CA 3.45Å; S108-Q111 WeakPolarHBondContact O-CB 3.26Å; S108-Q111 PolarHBondContact O-N 2.95Å; S108-D112 VanDerWaalsContact O-CG 3.28Å; S108-D112 PolarHBondContact O-N 3.5Å
109L92.4Very high94.1Very high16 Ų1656.6 Ų56.68%0.08429%0.285CS..Hα-helixtrans-55.8-40.2179-179.761.4000112.9Q39 Q40 I43 H107 D112 F113Q39-L109 HydrophobicContact CB-CD2 4Å; Q39-L109 HydrophobicContact CG-CD2 3.76Å; Q40-L109 HydrophobicContact CB-CD1 3.58Å; Q40-L109 HydrophobicContact CG-CD1 3.73Å; I43-L109 HydrophobicContact CD1-CD2 4Å; H107-L109 VanDerWaalsContact C-N 3.31Å; H107-L109 WeakPolarHBondContact ND1-CB 3.44Å; H107-L109 PolarHBondContact ND1-N 2.93Å; H107-L109 PolarHBondContact O-N 3.3Å; L109-D112 PolarHBondContact O-N 3.5Å; L109-F113 HydrophobicContact CD1-CE2 3.91Å; L109-F113 HydrophobicContact CD1-CZ 4.36Å; L109-F113 HydrophobicContact CG-CE2 4Å; L109-F113 WeakPolarHBondContact O-CD2 3.4Å; L109-F113 PolarHBondContact O-N 3.38Å
110H89.9Confident94.1Very high17 Ų1759.3 Ų59.38%0.07930%0.299CS..Hα-helixtrans-74.4-32.8-179.8-59.7-38.3000111.2S81 S105 H107 S108 T114S81-H110 PolarHBondContact OG-ND1 3.13Å; S105-H110 PolarHBondContact OG-CD2 3.31Å; H107-H110 PolarHBondContact O-N 2.98Å; H107-H110 VanDerWaalsContact O-N 3.08Å; S108-H110 VanDerWaalsContact C-N 3.26Å; S108-H110 PolarHBondContact O-N 2.57Å; H110-T114 PolarHBondContact O-N 3.01Å; H110-T114 PolarHBondContact O-OG1 3.39Å
111Q94.6Very high94.1Very high87 Ų8764.8 Ų64.841%0.40733%0.329SS..Hα-helixtrans-66.4-38.3172.8-64.4175.9-2.100111.5S105 H107 S108 F113 T114 I115S105-Q111 WeakPolarHBondContact O-CG 3.49Å; S105-Q111 PolarHBondContact O-NE2 3.09Å; H107-Q111 PolarHBondContact O-N 2.86Å; S108-Q111 WeakPolarHBondContact O-CA 3.45Å; S108-Q111 WeakPolarHBondContact O-CB 3.26Å; S108-Q111 PolarHBondContact O-N 2.95Å; Q111-F113 VanDerWaalsContact C-N 3.32Å; Q111-F113 PolarHBondContact O-N 3.14Å; Q111-T114 WeakPolarHBondContact O-CB 3.34Å; Q111-T114 PolarHBondContact O-N 3.37Å; Q111-T114 VanDerWaalsContact O-N 3.07Å; Q111-I115 WeakPolarHBondContact O-CG1 3.25Å; Q111-I115 PolarHBondContact O-N 2.96Å
112D97Very high94.2Very high71 Ų7164.4 Ų64.438%0.3833%0.328SS..Hα-helixtrans-59.3-42.4178-65.9-26.9000111.5S108 L109 T114 I115 Q116S108-D112 VanDerWaalsContact O-CG 3.28Å; S108-D112 PolarHBondContact O-N 3.5Å; L109-D112 PolarHBondContact O-N 3.5Å; D112-T114 VanDerWaalsContact C-N 3.33Å; D112-T114 PolarHBondContact O-N 3.38Å; D112-I115 PolarHBondContact O-N 3.11Å; D112-Q116 VanDerWaalsContact O-CG 3.24Å; D112-Q116 WeakPolarHBondContact O-CG 3.36Å; D112-Q116 PolarHBondContact O-N 3.09Å; D112-Q116 PolarHBondContact O-NE2 3Å
113F98.1Very high94.4Very high1 Ų165.6 Ų65.60%0.00434%0.336CS..Hα-helixtrans-66.3-33.6175.3-68.5-59.7000113.1Q40 I43 L84 V85 L109 Q111 Q116 C117Q40-F113 HydrophobicContact CG-CE1 4.39Å; Q40-F113 HydrophobicContact CG-CZ 3.83Å; I43-F113 HydrophobicContact CB-CE2 4.01Å; I43-F113 HydrophobicContact CB-CZ 3.93Å; I43-F113 HydrophobicContact CD1-CE2 4.01Å; I43-F113 HydrophobicContact CG2-CD2 4.22Å; I43-F113 HydrophobicContact CG2-CE1 4.36Å; I43-F113 HydrophobicContact CG2-CE2 3.5Å; I43-F113 HydrophobicContact CG2-CZ 3.57Å; L84-F113 HydrophobicContact CB-CB 4.01Å; L84-F113 HydrophobicContact CD1-CB 4Å; V85-F113 HydrophobicContact CG2-CD1 3.33Å; V85-F113 HydrophobicContact CG2-CE1 3.28Å; V85-F113 HydrophobicContact CG2-CG 4.04Å; V85-F113 HydrophobicContact CG2-CZ 3.95Å; L109-F113 HydrophobicContact CD1-CE2 3.91Å; L109-F113 HydrophobicContact CD1-CZ 4.36Å; L109-F113 HydrophobicContact CG-CE2 4Å; L109-F113 WeakPolarHBondContact O-CD2 3.4Å; L109-F113 PolarHBondContact O-N 3.38Å; Q111-F113 VanDerWaalsContact C-N 3.32Å; Q111-F113 PolarHBondContact O-N 3.14Å; F113-Q116 PolarHBondContact O-N 3.24Å; F113-C117 PolarHBondContact O-N 3.49Å; F113-C117 VanDerWaalsContact O-N 3.16Å; F113-C117 PolarHBondContact O-SG 3.38Å
114T96.4Very high94.8Very high5 Ų563.8 Ų63.83%0.03133%0.328CS..Hα-helixtrans-64.3-48.5174-58.50000110.3L84 H110 Q111 D112 Q116 C117 E118 F124L84-T114 WeakPolarHBondContact CD1-OG1 3.19Å; H110-T114 PolarHBondContact O-N 3.01Å; H110-T114 PolarHBondContact O-OG1 3.39Å; Q111-T114 WeakPolarHBondContact O-CB 3.34Å; Q111-T114 PolarHBondContact O-N 3.37Å; Q111-T114 VanDerWaalsContact O-N 3.07Å; D112-T114 VanDerWaalsContact C-N 3.33Å; D112-T114 PolarHBondContact O-N 3.38Å; T114-Q116 VanDerWaalsContact C-N 3.3Å; T114-Q116 PolarHBondContact O-N 3.32Å; T114-C117 WeakPolarHBondContact O-CB 3.49Å; T114-C117 PolarHBondContact O-N 3.28Å; T114-C117 VanDerWaalsContact O-N 3.15Å; T114-E118 WeakPolarHBondContact O-CG 3.18Å; T114-E118 PolarHBondContact O-N 3.01Å; T114-F124 HydrophobicContact CG2-CE1 4.03Å; T114-F124 HydrophobicContact CG2-CZ 3.96Å
115I97.6Very high95.4Very high81 Ų8159.5 Ų59.542%0.41532%0.315SS..Hα-helixtrans-59.7-41.8178-67.8167.3000110.6Q111 D112 C117 E118 K119Q111-I115 WeakPolarHBondContact O-CG1 3.25Å; Q111-I115 PolarHBondContact O-N 2.96Å; D112-I115 PolarHBondContact O-N 3.11Å; I115-C117 VanDerWaalsContact C-N 3.33Å; I115-C117 PolarHBondContact O-N 2.95Å; I115-E118 PolarHBondContact O-N 3.21Å; I115-K119 HydrophobicContact CG2-CG 4.14Å; I115-K119 WeakPolarHBondContact O-CB 3.45Å; I115-K119 VanDerWaalsContact O-CG 3.26Å; I115-K119 WeakPolarHBondContact O-CG 3.37Å; I115-K119 PolarHBondContact O-N 2.9Å
116Q98.5Very high95.9Very high52 Ų5263.7 Ų63.724%0.24335%0.345CS..Hα-helixtrans-60-41.9177-70.7165.138.400112.2D112 F113 T114 K119 M120D112-Q116 VanDerWaalsContact O-CG 3.24Å; D112-Q116 WeakPolarHBondContact O-CG 3.36Å; D112-Q116 PolarHBondContact O-N 3.09Å; D112-Q116 PolarHBondContact O-NE2 3Å; F113-Q116 PolarHBondContact O-N 3.24Å; T114-Q116 VanDerWaalsContact C-N 3.3Å; T114-Q116 PolarHBondContact O-N 3.32Å; Q116-K119 PolarHBondContact O-N 3.36Å; Q116-M120 WeakPolarHBondContact O-CG 3.5Å; Q116-M120 PolarHBondContact O-N 2.98Å
117C98.6Very high96.3Very high0 Ų066.1 Ų66.10%034%0.337CS..Hα-helixtrans-64.3-45.6175.3-65.10000111.5L84 F113 T114 I115 K119 M120 D121 I122 F124L84-C117 PolarHBondContact O-SG 2.96Å; F113-C117 PolarHBondContact O-N 3.49Å; F113-C117 VanDerWaalsContact O-N 3.16Å; F113-C117 PolarHBondContact O-SG 3.38Å; T114-C117 WeakPolarHBondContact O-CB 3.49Å; T114-C117 PolarHBondContact O-N 3.28Å; T114-C117 VanDerWaalsContact O-N 3.15Å; I115-C117 VanDerWaalsContact C-N 3.33Å; I115-C117 PolarHBondContact O-N 2.95Å; C117-K119 VanDerWaalsContact C-N 3.28Å; C117-K119 PolarHBondContact O-N 3.22Å; C117-M120 CarbonylContact O-C 3.54Å; C117-M120 PolarHBondContact O-N 2.97Å; C117-D121 PolarHBondContact O-N 2.95Å; C117-I122 HydrophobicContact CB-CB 4.27Å; C117-I122 HydrophobicContact CB-CD1 4.17Å; C117-I122 WeakPolarHBondContact O-CB 3.14Å; C117-I122 PolarHBondContact O-N 2.98Å; C117-F124 HydrophobicContact CB-CE2 3.78Å; C117-F124 HydrophobicContact CB-CZ 3.81Å
118E97.9Very high96.5Very high79 Ų7962.6 Ų62.637%0.36932%0.321SS..Hα-helixtrans-59.7-38.5176.4-69.3172.5169.900111.3R104 T114 I115 M120 D121 F124R104-E118 IonicContact CZ-OE1 2.57Å; R104-E118 IonicContact NH1-OE1 3.22Å; R104-E118 PolarHBondContact NH1-OE1 3.03Å; R104-E118 IonicContact NH2-OE1 2.85Å; R104-E118 PolarHBondContact NH2-OE1 3.21Å; T114-E118 WeakPolarHBondContact O-CG 3.18Å; T114-E118 PolarHBondContact O-N 3.01Å; I115-E118 PolarHBondContact O-N 3.21Å; E118-M120 PolarHBondContact O-N 3.34Å; E118-D121 PolarHBondContact O-N 2.95Å; E118-F124 HydrophobicContact CG-CD2 4.16Å; E118-F124 HydrophobicContact CG-CE2 3.83Å; E118-F124 HydrophobicContact CG-CZ 4.5Å
119K98.4Very high96.5Very high169 Ų16960.1 Ų60.174%0.73530%0.304SS*.THydrogen-bonded Turntrans-72.9-10.6175.9-69.1-62.4-179.3-170.70114.6I115 Q116 C117I115-K119 HydrophobicContact CG2-CG 4.14Å; I115-K119 WeakPolarHBondContact O-CB 3.45Å; I115-K119 VanDerWaalsContact O-CG 3.26Å; I115-K119 WeakPolarHBondContact O-CG 3.37Å; I115-K119 PolarHBondContact O-N 2.9Å; Q116-K119 PolarHBondContact O-N 3.36Å; C117-K119 VanDerWaalsContact C-N 3.28Å; C117-K119 PolarHBondContact O-N 3.22Å
120M98.3Very high96.2Very high58 Ų5865.5 Ų65.529%0.28634%0.337SS..THydrogen-bonded Turntrans-103.917.8172.8-69.1-164.854.100112.6R88 R91 I92 Q116 C117 E118 I122R88-M120 WeakPolarHBondContact CD-SD 3.25Å; R88-M120 HydrophobicContact CG-CE 4.08Å; R88-M120 HydrophobicContact CG-CG 4.38Å; R88-M120 HydrophobicContact CG-SD 3.18Å; R88-M120 WeakPolarHBondContact CG-SD 3.48Å; R91-M120 HydrophobicContact CB-CE 4.43Å; R91-M120 HydrophobicContact CG-CE 4.23Å; I92-M120 HydrophobicContact CD1-CE 4.13Å; I92-M120 HydrophobicContact CG1-CE 3.64Å; Q116-M120 WeakPolarHBondContact O-CG 3.5Å; Q116-M120 PolarHBondContact O-N 2.98Å; C117-M120 CarbonylContact O-C 3.54Å; C117-M120 PolarHBondContact O-N 2.97Å; E118-M120 PolarHBondContact O-N 3.34Å; M120-I122 HydrophobicContact CB-CD1 4.41Å; M120-I122 HydrophobicContact CB-CG1 4.29Å; M120-I122 PolarHBondContact O-N 2.67Å
121D98.2Very high96.4Very high139 Ų13970.2 Ų70.274%0.74336%0.359SS*.THydrogen-bonded Turntrans56.331.3178.7-57.3-51.1000113C117 E118 P123C117-D121 PolarHBondContact O-N 2.95Å; E118-D121 PolarHBondContact O-N 2.95Å; D121-P123 WeakPolarHBondContact O-CD 3.33Å
122I98.8Very high96.5Very high6 Ų667.1 Ų67.13%0.03135%0.346CS..  trans-80119.4174.5-61.1178.5000108.2A87 R88 R91 P97 V99 C117 M120 F124A87-I122 HydrophobicContact CB-CD1 4.42Å; R88-I122 HydrophobicContact CB-CD1 4.48Å; R91-I122 HydrophobicContact CB-CD1 3.89Å; R91-I122 HydrophobicContact CB-CG1 4.19Å; R91-I122 HydrophobicContact CG-CD1 4.33Å; R91-I122 HydrophobicContact CG-CG1 4.13Å; P97-I122 HydrophobicContact CB-CG2 4.44Å; P97-I122 HydrophobicContact CG-CD1 4.12Å; P97-I122 HydrophobicContact CG-CG1 4.23Å; P97-I122 HydrophobicContact CG-CG2 4.19Å; V99-I122 HydrophobicContact CG2-CG2 3.76Å; C117-I122 HydrophobicContact CB-CB 4.27Å; C117-I122 HydrophobicContact CB-CD1 4.17Å; C117-I122 WeakPolarHBondContact O-CB 3.14Å; C117-I122 PolarHBondContact O-N 2.98Å; M120-I122 HydrophobicContact CB-CD1 4.41Å; M120-I122 HydrophobicContact CB-CG1 4.29Å; M120-I122 PolarHBondContact O-N 2.67Å; I122-F124 WeakPolarHBondContact O-CD2 3.4Å
123P98.4Very high96.5Very high68 Ų6867.7 Ų67.744%0.44235%0.346SS..  trans-68.9142.2-178.726.4-33.9000111.9P97 T98 V99 D121P97-P123 WeakPolarHBondContact O-CD 3.24Å; T98-P123 HydrophobicContact CG2-CB 4.43Å; T98-P123 HydrophobicContact CG2-CG 4.14Å; V99-P123 PolarHBondContact N-O 2.78Å; D121-P123 WeakPolarHBondContact O-CD 3.33Å
124F98.4Very high96.4Very high49 Ų4971.8 Ų71.822%0.21537%0.368CS..EExtended strand (participates in β ladder)trans-110.4125.4171.9-77.9-109.4000110.3L84 V99 H101 T114 C117 E118 I122L84-F124 HydrophobicContact CD2-CE1 3.99Å; L84-F124 HydrophobicContact CD2-CZ 3.86Å; V99-F124 HydrophobicContact CB-CD1 3.82Å; V99-F124 HydrophobicContact CB-CD2 4.38Å; V99-F124 HydrophobicContact CB-CE1 3.76Å; V99-F124 HydrophobicContact CB-CE2 4.31Å; V99-F124 HydrophobicContact CB-CG 4.15Å; V99-F124 HydrophobicContact CB-CZ 4Å; V99-F124 HydrophobicContact CG1-CD1 3.65Å; V99-F124 HydrophobicContact CG1-CE1 3.35Å; V99-F124 HydrophobicContact CG1-CG 4.47Å; V99-F124 HydrophobicContact CG1-CZ 3.95Å; V99-F124 HydrophobicContact CG2-CE1 4.44Å; V99-F124 HydrophobicContact CG2-CZ 4.24Å; V99-F124 CarbonylContact O-C 3.6Å; V99-F124 VanDerWaalsContact O-CA 3.24Å; V99-F124 WeakPolarHBondContact O-CA 3.22Å; H101-F124 HydrophobicContact CB-CD1 4.32Å; H101-F124 HydrophobicContact CB-CE1 4.21Å; T114-F124 HydrophobicContact CG2-CE1 4.03Å; T114-F124 HydrophobicContact CG2-CZ 3.96Å; C117-F124 HydrophobicContact CB-CE2 3.78Å; C117-F124 HydrophobicContact CB-CZ 3.81Å; E118-F124 HydrophobicContact CG-CD2 4.16Å; E118-F124 HydrophobicContact CG-CE2 3.83Å; E118-F124 HydrophobicContact CG-CZ 4.5Å; I122-F124 WeakPolarHBondContact O-CD2 3.4Å
125L98Very high96.5Very high51 Ų5171.6 Ų71.627%0.26737%0.367SS..EExtended strand (participates in β ladder)trans-72.3135.8171.7-62.6179.7000110.3L71 T98 V99 Y100L71-L125 HydrophobicContact CD1-CD1 3.83Å; T98-L125 HydrophobicContact CG2-CD1 4.13Å; T98-L125 HydrophobicContact CG2-CD2 3.81Å; T98-L125 HydrophobicContact CG2-CG 3.57Å; V99-L125 PolarHBondContact O-N 3.38Å; Y100-L125 HydrophobicContact CD2-CB 4.02Å
126S94.9Very high96.5Very high109 Ų10968.2 Ų68.276%0.76235%0.35SS*.SBendtrans-77.2-26171.552.90000112.6
127Y95.1Very high96.4Very high166 Ų16670.6 Ų70.665%0.65136%0.364SS*.SBendtrans-146.6151.7174.963.6-87.6000110.5
128L95.4Very high96.4Very high16 Ų1672.9 Ų72.98%0.08438%0.383CS..  trans-83129168.6-171.869000109L71 I73 Y100 T130 I135 I163 T166L71-L128 HydrophobicContact CD2-CD1 3.78Å; I73-L128 HydrophobicContact CD1-CD1 4.34Å; I73-L128 HydrophobicContact CD1-CD2 4.42Å; Y100-L128 HydrophobicContact CD1-CB 3.77Å; Y100-L128 HydrophobicContact CD1-CD1 4.19Å; Y100-L128 HydrophobicContact CD1-CD2 4.46Å; Y100-L128 HydrophobicContact CD1-CG 4.38Å; Y100-L128 HydrophobicContact CE1-CB 3.5Å; Y100-L128 HydrophobicContact CE1-CD2 4.43Å; Y100-L128 HydrophobicContact CE1-CG 4.44Å; Y100-L128 HydrophobicContact CE2-CB 4.44Å; Y100-L128 HydrophobicContact CG-CB 4.34Å; L128-T130 PolarHBondContact O-N 3.44Å; L128-I135 HydrophobicContact CD1-CD1 3.95Å; L128-I135 HydrophobicContact CG-CD1 4.12Å; L128-I163 HydrophobicContact CD2-CB 4.22Å; L128-I163 HydrophobicContact CD2-CG1 3.95Å; L128-I163 HydrophobicContact CD2-CG2 3.71Å; L128-T166 HydrophobicContact CD2-CG2 4.29Å
129P91.7Very high96.4Very high23 Ų2370.2 Ų70.215%0.14937%0.369CS..  trans-57.7126.6174.4-23.533.8000110.9E131 L134 I135P129-E131 VanDerWaalsContact C-N 3.31Å; P129-L134 HydrophobicContact CB-CB 4.07Å; P129-L134 HydrophobicContact CB-CD1 4.09Å; P129-I135 HydrophobicContact CB-CG1 4.31Å; P129-I135 HydrophobicContact CG-CG1 4.4Å
130T86.7Confident96.4Very high128 Ų12862.5 Ų62.579%0.78534%0.336SS*.SBendtrans-75.2-25.8174.751.20000111.8L128 V132L128-T130 PolarHBondContact O-N 3.44Å; T130-V132 PolarHBondContact O-N 3.22Å; T130-V132 VanDerWaalsContact O-N 3.13Å
131E94.3Very high96.4Very high116 Ų11659.8 Ų59.854%0.54232%0.323SS..SBendtrans-74.599.5171-174.7174.5-169.800109.9P129 Q133 L134P129-E131 VanDerWaalsContact C-N 3.31Å; E131-Q133 HydrophobicContact CG-CB 4.25Å; E131-Q133 PolarHBondContact O-N 3.41Å; E131-Q133 VanDerWaalsContact O-N 3.07Å; E131-L134 HydrophobicContact CB-CD1 3.97Å; E131-L134 HydrophobicContact CB-CG 4.02Å; E131-L134 HydrophobicContact CG-CD1 4.49Å; E131-L134 HydrophobicContact CG-CG 4.09Å; E131-L134 WeakPolarHBondContact O-CB 3.35Å; E131-L134 PolarHBondContact O-N 2.89Å
132V95.3Very high96.4Very high22 Ų2253.1 Ų53.113%0.13329%0.287CS..Hα-helixtrans-49.4-34.5179.6164.60000113T130 L134 I135 N136 T166 Q169 I170T130-V132 PolarHBondContact O-N 3.22Å; T130-V132 VanDerWaalsContact O-N 3.13Å; V132-L134 VanDerWaalsContact C-N 3.29Å; V132-L134 PolarHBondContact O-N 3.08Å; V132-I135 PolarHBondContact O-N 3.44Å; V132-I135 VanDerWaalsContact O-N 3.16Å; V132-N136 WeakPolarHBondContact CG1-ND2 3.42Å; V132-N136 PolarHBondContact O-N 3.03Å; V132-N136 PolarHBondContact O-ND2 3.45Å; V132-T166 HydrophobicContact CG2-CG2 4.02Å; V132-Q169 HydrophobicContact CG1-CB 4.26Å; V132-Q169 WeakPolarHBondContact CG1-O 3.43Å; V132-Q169 HydrophobicContact CG2-CB 3.76Å; V132-I170 HydrophobicContact CG1-CB 4.46Å; V132-I170 HydrophobicContact CG1-CG2 4.13Å
133Q97.1Very high96.4Very high83 Ų8352.9 Ų52.939%0.38829%0.286SS..Hα-helixtrans-63.2-35.1179.8-168.556.838.700112.4E131 I135 N136 D137E131-Q133 HydrophobicContact CG-CB 4.25Å; E131-Q133 PolarHBondContact O-N 3.41Å; E131-Q133 VanDerWaalsContact O-N 3.07Å; Q133-I135 VanDerWaalsContact C-N 3.28Å; Q133-I135 PolarHBondContact O-N 3.25Å; Q133-N136 PolarHBondContact O-N 3.24Å; Q133-D137 WeakPolarHBondContact CG-OD2 3.46Å; Q133-D137 PolarHBondContact NE2-OD1 3.12Å; Q133-D137 PolarHBondContact NE2-OD2 3.25Å; Q133-D137 WeakPolarHBondContact O-CB 3.46Å; Q133-D137 PolarHBondContact O-N 3.32Å
134L97.2Very high96.4Very high88 Ų8849.6 Ų49.646%0.46127%0.265SS..Hα-helixtrans-63-36.4175.8-62.8178.7000111.8P129 E131 V132 A138P129-L134 HydrophobicContact CB-CB 4.07Å; P129-L134 HydrophobicContact CB-CD1 4.09Å; E131-L134 HydrophobicContact CB-CD1 3.97Å; E131-L134 HydrophobicContact CB-CG 4.02Å; E131-L134 HydrophobicContact CG-CD1 4.49Å; E131-L134 HydrophobicContact CG-CG 4.09Å; E131-L134 WeakPolarHBondContact O-CB 3.35Å; E131-L134 PolarHBondContact O-N 2.89Å; V132-L134 VanDerWaalsContact C-N 3.29Å; V132-L134 PolarHBondContact O-N 3.08Å; L134-A138 WeakPolarHBondContact O-CB 3.38Å; L134-A138 PolarHBondContact O-N 3.21Å; L134-A138 VanDerWaalsContact O-N 3.09Å
135I97.8Very high96.4Very high0 Ų047.3 Ų47.30%026%0.255CS..Hα-helixtrans-69.6-46.8175.7-58.5175.7000109.9L71 L128 P129 V132 Q133 D137 A138 Y139 V142 T166 I170 I172L71-I135 HydrophobicContact CD2-CG2 4.13Å; L128-I135 HydrophobicContact CD1-CD1 3.95Å; L128-I135 HydrophobicContact CG-CD1 4.12Å; P129-I135 HydrophobicContact CB-CG1 4.31Å; P129-I135 HydrophobicContact CG-CG1 4.4Å; V132-I135 PolarHBondContact O-N 3.44Å; V132-I135 VanDerWaalsContact O-N 3.16Å; Q133-I135 VanDerWaalsContact C-N 3.28Å; Q133-I135 PolarHBondContact O-N 3.25Å; I135-D137 VanDerWaalsContact C-N 3.28Å; I135-D137 PolarHBondContact O-N 3.22Å; I135-A138 PolarHBondContact O-N 3.45Å; I135-Y139 HydrophobicContact CG2-CD2 4.07Å; I135-Y139 WeakPolarHBondContact O-CD2 3.25Å; I135-Y139 PolarHBondContact O-N 3.02Å; I135-Y139 VanDerWaalsContact O-N 3.09Å; I135-V142 HydrophobicContact CG2-CG2 4.13Å; I135-T166 HydrophobicContact CD1-CG2 3.6Å; I135-I170 HydrophobicContact CG2-CG2 4.24Å; I135-I172 HydrophobicContact CG2-CD1 4.1Å
136N97.6Very high96.3Very high11 Ų1145 Ų456%0.05924%0.243CC..Hα-helixtrans-59.5-37.8179.8-70.4-32.3000112.8K65 V132 Q133 I170 K171 I172K65-N136 WeakPolarHBondContact CE-O 3.43Å; K65-N136 PolarHBondContact NZ-O 3.32Å; V132-N136 WeakPolarHBondContact CG1-ND2 3.42Å; V132-N136 PolarHBondContact O-N 3.03Å; V132-N136 PolarHBondContact O-ND2 3.45Å; Q133-N136 PolarHBondContact O-N 3.24Å; N136-I170 WeakPolarHBondContact OD1-CB 3.3Å; N136-K171 PolarHBondContact OD1-N 3.06Å; N136-I172 HydrophobicContact CB-CG2 4.41Å
137D96.9Very high96.1Very high102 Ų10241 Ų4155%0.54521%0.212SC..Hα-helixtrans-81.6-32.8-178-69-22.5000112.4K65 Q133 I135K65-D137 VanDerWaalsContact CE-C 3.47Å; K65-D137 WeakPolarHBondContact CE-O 3.43Å; Q133-D137 WeakPolarHBondContact CG-OD2 3.46Å; Q133-D137 PolarHBondContact NE2-OD1 3.12Å; Q133-D137 PolarHBondContact NE2-OD2 3.25Å; Q133-D137 WeakPolarHBondContact O-CB 3.46Å; Q133-D137 PolarHBondContact O-N 3.32Å; I135-D137 VanDerWaalsContact C-N 3.28Å; I135-D137 PolarHBondContact O-N 3.22Å
138A97.4Very high95.8Very high47 Ų4734 Ų3439%0.38819%0.192SC..Hα-helixtrans-81.5-34.2-176.700000113.8T69 L134 I135T69-A138 VanDerWaalsContact CB-O 3.28Å; T69-A138 WeakPolarHBondContact CB-O 3.43Å; T69-A138 PolarHBondContact OG1-O 2.95Å; L134-A138 WeakPolarHBondContact O-CB 3.38Å; L134-A138 PolarHBondContact O-N 3.21Å; L134-A138 VanDerWaalsContact O-N 3.09Å; I135-A138 PolarHBondContact O-N 3.45Å
139Y98.4Very high95.4Very high23 Ų2334.3 Ų34.39%0.0919%0.193CC..  trans-120.1144.8-167.5-58.3-74.3000113.2K65 T69 L71 I135 I172K65-Y139 WeakPolarHBondContact CE-O 3.5Å; K65-Y139 PolarHBondContact NZ-O 2.95Å; T69-Y139 WeakPolarHBondContact OG1-CA 3.48Å; L71-Y139 HydrophobicContact CB-CD1 3.76Å; L71-Y139 HydrophobicContact CB-CD2 3.86Å; L71-Y139 HydrophobicContact CB-CE1 3.98Å; L71-Y139 HydrophobicContact CB-CE2 4.07Å; L71-Y139 HydrophobicContact CB-CG 3.7Å; L71-Y139 HydrophobicContact CD1-CE2 4.36Å; L71-Y139 HydrophobicContact CD2-CD2 4.25Å; L71-Y139 HydrophobicContact CD2-CE2 4.16Å; L71-Y139 HydrophobicContact CG-CE2 4.43Å; I135-Y139 HydrophobicContact CG2-CD2 4.07Å; I135-Y139 WeakPolarHBondContact O-CD2 3.25Å; I135-Y139 PolarHBondContact O-N 3.02Å; I135-Y139 VanDerWaalsContact O-N 3.09Å; Y139-I172 WeakPolarHBondContact O-CD1 3.49Å
140N98.5Very high95.2Very high7 Ų739 Ų394%0.03721%0.213CC..SBendtrans-75.2-36.4171.9-72.3-82.9000112.3L63 S64 K65 Q67 T69 P173L63-N140 HydrophobicContact CD2-CB 4.01Å; S64-N140 PolarHBondContact N-OD1 2.88Å; S64-N140 PolarHBondContact OG-OD1 2.84Å; K65-N140 VanDerWaalsContact CB-OD1 3.3Å; K65-N140 WeakPolarHBondContact CB-OD1 3.42Å; K65-N140 PolarHBondContact N-OD1 3.1Å; Q67-N140 PolarHBondContact O-ND2 2.83Å; T69-N140 PolarHBondContact N-ND2 2.94Å; T69-N140 VanDerWaalsContact N-ND2 3.17Å; T69-N140 WeakPolarHBondContact O-CB 3.48Å; T69-N140 PolarHBondContact O-N 2.82Å; T69-N140 PolarHBondContact O-ND2 2.81Å; T69-N140 PolarHBondContact OG1-ND2 2.81Å; N140-P173 WeakPolarHBondContact O-CD 3.5Å
141L98.4Very high95.2Very high1 Ų134.8 Ų34.81%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-154161.6-179.363.4112.4000110.7I54 Y58 L63 V70 L71 I143 P173 V175I54-L141 HydrophobicContact CG2-CD1 4.28Å; Y58-L141 HydrophobicContact CD2-CD2 4.09Å; Y58-L141 HydrophobicContact CG-CD2 4.01Å; L63-L141 HydrophobicContact CD2-CD2 4.3Å; V70-L141 HydrophobicContact CG1-CD1 3.64Å; V70-L141 HydrophobicContact CG1-CG 4Å; V70-L141 HydrophobicContact CG2-CD1 4.34Å; V70-L141 HydrophobicContact CG2-CD2 4.08Å; V70-L141 HydrophobicContact CG2-CG 4.03Å; L71-L141 PolarHBondContact N-O 2.94Å; L141-I143 HydrophobicContact CD1-CG1 3.91Å; L141-P173 WeakPolarHBondContact CA-O 3.44Å; L141-P173 HydrophobicContact CB-CB 4.46Å; L141-V175 HydrophobicContact CD1-CG2 3.97Å
142V98.8Very high94.8Very high0 Ų033.7 Ų33.70%019%0.189CC..EExtended strand (participates in β ladder)trans-114.2133.1172.2-176.90000109.7L71 I73 I135 L167 I170 I172 P173 I174 V175L71-V142 HydrophobicContact CB-CG2 4.25Å; L71-V142 HydrophobicContact CD2-CG1 4.41Å; L71-V142 HydrophobicContact CD2-CG2 4.26Å; L71-V142 HydrophobicContact CG-CG1 4.44Å; L71-V142 CarbonylContact O-C 3.57Å; L71-V142 VanDerWaalsContact O-CA 3.31Å; L71-V142 WeakPolarHBondContact O-CA 3.49Å; I73-V142 HydrophobicContact CD1-CG1 3.78Å; I73-V142 HydrophobicContact CG1-CG1 3.98Å; I135-V142 HydrophobicContact CG2-CG2 4.13Å; V142-L167 HydrophobicContact CG1-CD2 3.87Å; V142-I170 HydrophobicContact CB-CD1 4.05Å; V142-I170 HydrophobicContact CG2-CD1 3.47Å; V142-I170 VanDerWaalsContact CG2-CD1 3.47Å; V142-I172 HydrophobicContact CG2-CD1 3.77Å; V142-I172 HydrophobicContact CG2-CG1 4.24Å; V142-P173 PolarHBondContact N-O 3.06Å; V142-I174 HydrophobicContact CB-CG1 4.49Å; V142-I174 CarbonylContact O-C 3.53Å; V142-I174 WeakPolarHBondContact O-CA 3.4Å; V142-V175 PolarHBondContact O-N 2.95Å
143I98.9Very high94.2Very high0 Ų034.4 Ų34.40%020%0.195CC..EExtended strand (participates in β ladder)trans-96.5117.8169-53.5174.7000108.1I54 V70 L71 V72 I73 L90 L141 V175 V177I54-I143 HydrophobicContact CD1-CD1 3.35Å; I54-I143 HydrophobicContact CD1-CG1 3.8Å; V70-I143 HydrophobicContact CG1-CD1 3.7Å; V70-I143 HydrophobicContact CG1-CG1 3.78Å; L71-I143 PolarHBondContact O-N 2.85Å; V72-I143 HydrophobicContact CB-CB 4.48Å; V72-I143 HydrophobicContact CG1-CB 4.1Å; V72-I143 HydrophobicContact CG1-CD1 4.36Å; V72-I143 HydrophobicContact CG1-CG2 4.3Å; V72-I143 HydrophobicContact CG2-CB 4.5Å; V72-I143 HydrophobicContact CG2-CD1 3.81Å; V72-I143 HydrophobicContact CG2-CG1 4.46Å; I73-I143 PolarHBondContact N-O 2.57Å; L90-I143 HydrophobicContact CD1-CD1 3.41Å; L90-I143 VanDerWaalsContact CD1-CD1 3.41Å; L141-I143 HydrophobicContact CD1-CG1 3.91Å; I143-V175 CarbonylContact C-O 3.56Å; I143-V175 WeakPolarHBondContact CA-O 3.49Å; I143-V177 HydrophobicContact CG2-CG2 3.85Å
144D98.5Very high93.6Very high0 Ų035.4 Ų35.40%021%0.211CC..EExtended strand (participates in β ladder)trans-87.4102.4170166.640.6000109.8M146 I174 V175 S176 V177 S181 I193D144-M146 PolarHBondContact OD1-N 2.86Å; D144-I174 HydrophobicContact CB-CG2 4.02Å; D144-V175 PolarHBondContact N-O 3.29Å; D144-S176 PolarHBondContact OD2-OG 3.1Å; D144-V177 PolarHBondContact O-N 2.76Å; D144-S181 VanDerWaalsContact CG-OG 3.26Å; D144-S181 WeakPolarHBondContact OD1-CB 3.26Å; D144-S181 PolarHBondContact OD1-OG 3.32Å; D144-S181 WeakPolarHBondContact OD2-CB 3.27Å; D144-S181 PolarHBondContact OD2-N 3.02Å; D144-S181 PolarHBondContact OD2-OG 2.81Å; D144-I193 HydrophobicContact CB-CD1 4.06Å; D144-I193 WeakPolarHBondContact OD2-CD1 3.17Å
145A98.1Very high93.2Very high0 Ų035.7 Ų35.70%021%0.213CC..EExtended strand (participates in β ladder)trans-123.333.2171.900000110I73 G75 N79 G80 V177I73-A145 CarbonylContact O-C 3.5Å; I73-A145 WeakPolarHBondContact O-CA 3.45Å; I73-A145 PolarHBondContact O-N 2.97Å; G75-A145 PolarHBondContact N-O 3.25Å; N79-A145 CarbonylContact C-O 3.5Å; G80-A145 VanDerWaalsContact CA-O 3.25Å; G80-A145 WeakPolarHBondContact CA-O 3.38Å; G80-A145 PolarHBondContact N-O 3.22Å; A145-V177 HydrophobicContact CB-CB 4.37Å; A145-V177 HydrophobicContact CB-CG2 4.09Å
146M94.8Very high92.8Very high3 Ų337.6 Ų37.62%0.01522%0.223CC..SBendtrans-80.2-60.6-174.6-66.7-171.8-64.400112.5I73 G75 D144 Y160 I163 L164 L167 S181I73-M146 HydrophobicContact CB-CG 3.96Å; I73-M146 HydrophobicContact CB-SD 4.38Å; I73-M146 HydrophobicContact CG2-CG 3.41Å; I73-M146 VanDerWaalsContact CG2-CG 3.41Å; I73-M146 HydrophobicContact CG2-SD 3.53Å; I73-M146 VanDerWaalsContact CG2-SD 3.53Å; I73-M146 PolarHBondContact O-N 3.3Å; G75-M146 WeakPolarHBondContact CA-O 3.48Å; D144-M146 PolarHBondContact OD1-N 2.86Å; M146-Y160 HydrophobicContact CB-CD1 4.32Å; M146-Y160 HydrophobicContact CG-CD1 4.39Å; M146-Y160 HydrophobicContact SD-CD1 3.99Å; M146-I163 HydrophobicContact CE-CG2 3.87Å; M146-I163 HydrophobicContact SD-CB 3.89Å; M146-I163 HydrophobicContact SD-CD1 4.04Å; M146-I163 HydrophobicContact SD-CG2 3.35Å; M146-I163 WeakPolarHBondContact SD-CG2 3.2Å; M146-L164 HydrophobicContact CE-CD2 3.71Å; M146-L164 HydrophobicContact CE-CG 4.14Å; M146-L167 HydrophobicContact CE-CD1 3.59Å; M146-S181 WeakPolarHBondContact CB-OG 3.41Å
147L92.1Very high92.6Very high24 Ų2443.7 Ų43.713%0.12625%0.249CC..  trans-120.2125.1-172-58.7179.3000107.6N79 A151 I156 Y160 S181N79-L147 PolarHBondContact ND2-O 3.24Å; L147-A151 HydrophobicContact CB-CB 3.72Å; L147-A151 HydrophobicContact CD1-CB 4.44Å; L147-A151 HydrophobicContact CD2-CB 4.23Å; L147-A151 HydrophobicContact CG-CB 4.34Å; L147-I156 HydrophobicContact CD1-CD1 4.02Å; L147-I156 HydrophobicContact CD1-CG1 4.1Å; L147-I156 HydrophobicContact CD1-CG2 3.88Å; L147-Y160 HydrophobicContact CD2-CD2 4.44Å; L147-Y160 HydrophobicContact CD2-CG 4.41Å; L147-S181 PolarHBondContact N-OG 3.47Å; L147-S181 PolarHBondContact O-OG 3.05Å
148G87.3Confident92.4Very high21 Ų2144.7 Ų44.722%0.21625%0.25CS..  trans-97.2-169.2176.400000111.7E150 A151G148-E150 PolarHBondContact O-N 3.48Å; G148-A151 WeakPolarHBondContact O-CB 3.5Å; G148-A151 PolarHBondContact O-N 2.89Å
149L88.3Confident92.3Very high22 Ų2244 Ų4412%0.11524%0.242CC..THydrogen-bonded Turntrans-44.8-34.6175.9-179.560.1000115.2K21 A24 A151 A185 K205K21-L149 HydrophobicContact CB-CD1 3.82Å; K21-L149 HydrophobicContact CB-CG 4.28Å; K21-L149 HydrophobicContact CG-CD1 4.05Å; K21-L149 HydrophobicContact CG-CD2 4.47Å; K21-L149 HydrophobicContact CG-CG 4Å; A24-L149 HydrophobicContact CB-CD2 3.38Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.35Å; L149-A185 HydrophobicContact CD1-CB 3.32Å; L149-K205 HydrophobicContact CD1-CD 4.45Å; L149-K205 HydrophobicContact CD1-CG 3.74Å
150E86.9Confident92.1Very high121 Ų12143.6 Ų43.657%0.56524%0.24SC*.THydrogen-bonded Turntrans-78.8-14-175.3-67.4-55138.100114.7K21 G148K21-E150 WeakPolarHBondContact CE-OE1 3.22Å; K21-E150 WeakPolarHBondContact CE-OE2 3.13Å; K21-E150 PolarHBondContact NZ-O 3.36Å; K21-E150 VanDerWaalsContact NZ-O 3.07Å; K21-E150 IonicContact NZ-OE2 3.71Å; K21-E150 PolarHBondContact NZ-OE2 3.17Å; K21-E150 VanDerWaalsContact NZ-OE2 3.14Å; G148-E150 PolarHBondContact O-N 3.48Å
151A85.9Confident91.9Very high39 Ų3944.8 Ų44.832%0.32225%0.249SC..SBendtrans-68.8141.9-174.400000112.8L147 G148 L149 S153L147-A151 HydrophobicContact CB-CB 3.72Å; L147-A151 HydrophobicContact CD1-CB 4.44Å; L147-A151 HydrophobicContact CD2-CB 4.23Å; L147-A151 HydrophobicContact CG-CB 4.34Å; G148-A151 WeakPolarHBondContact O-CB 3.5Å; G148-A151 PolarHBondContact O-N 2.89Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.35Å; A151-S153 PolarHBondContact O-N 2.96Å
152D85.9Confident91.7Very high93 Ų9346 Ų4650%0.49726%0.262SS..  trans-81.9101.2168.8178.93.4000109.2S154 N155D152-S154 PolarHBondContact O-N 3.48Å; D152-S154 WeakPolarHBondContact OD1-CB 3.39Å; D152-S154 PolarHBondContact OD1-N 3.33Å; D152-S154 PolarHBondContact OD1-OG 3.26Å; D152-N155 PolarHBondContact O-N 3.18Å
153S83.2Confident91.6Very high37 Ų3746.3 Ų46.326%0.25926%0.263SS..THydrogen-bonded Turntrans-64.8-21.9-179.959.50000113A151 N155 W183A151-S153 PolarHBondContact O-N 2.96Å; S153-N155 VanDerWaalsContact C-N 3.34Å; S153-W183 WeakPolarHBondContact CB-O 3.45Å
154S84.6Confident91.4Very high104 Ų10447 Ų4773%0.72727%0.267SS*.THydrogen-bonded Turntrans-79.1-17.5-179.876.90000113.6D152D152-S154 PolarHBondContact O-N 3.48Å; D152-S154 WeakPolarHBondContact OD1-CB 3.39Å; D152-S154 PolarHBondContact OD1-N 3.33Å; D152-S154 PolarHBondContact OD1-OG 3.26Å
155N88.5Confident91.3Very high94 Ų9451 Ų5150%0.50329%0.292SS..  trans-140.960.9-173.5-169.712.2000112.7D152 S153 K157D152-N155 PolarHBondContact O-N 3.18Å; S153-N155 VanDerWaalsContact C-N 3.34Å; N155-K157 PolarHBondContact O-N 3.49Å
156I90.6Very high91.2Very high41 Ų4151.9 Ų51.921%0.2130%0.297CS..PPolyproline II helixtrans-76.9118.9177.4-54.2172.7000109.4L147 L164 G182L147-I156 HydrophobicContact CD1-CD1 4.02Å; L147-I156 HydrophobicContact CD1-CG1 4.1Å; L147-I156 HydrophobicContact CD1-CG2 3.88Å; I156-L164 HydrophobicContact CD1-CD1 3.4Å; I156-L164 HydrophobicContact CG2-CD1 4.01Å; I156-G182 VanDerWaalsContact CD1-CA 3.5Å
157K91.8Very high91.2Very high139 Ų13951.9 Ų51.960%0.60430%0.297SS*.PPolyproline II helixtrans-92.7155.5-177.2-61.7179-176.8173.40112.2N155 Y160 S161N155-K157 PolarHBondContact O-N 3.49Å; K157-Y160 WeakPolarHBondContact O-CB 3.3Å; K157-Y160 PolarHBondContact O-N 3.34Å; K157-S161 PolarHBondContact O-N 3.41Å
158E93.4Very high91.4Very high122 Ų12255.5 Ų55.557%0.5731%0.311SS*.THydrogen-bonded Turntrans-54.1143.1169.1-70.8-59.5147.300111.9K103 S161 G162K103-E158 PolarHBondContact NZ-O 3.23Å; E158-S161 PolarHBondContact N-OG 3.1Å; E158-S161 PolarHBondContact OE1-OG 3.27Å; E158-G162 PolarHBondContact OE1-N 3.33Å
159P94.7Very high91.8Very high34 Ų3460 Ų6022%0.22133%0.327CS..THydrogen-bonded Turncis-84.3-0.83.132.7-33.6000114.7P102 S161 G162 I163P102-P159 HydrophobicContact CB-CG 3.7Å; P102-P159 HydrophobicContact CG-CG 3.82Å; P159-S161 PolarHBondContact O-N 2.77Å; P159-G162 PolarHBondContact O-N 2.94Å; P159-I163 HydrophobicContact CB-CD1 4.42Å; P159-I163 WeakPolarHBondContact O-CD1 3.47Å; P159-I163 VanDerWaalsContact O-CG1 3.26Å; P159-I163 WeakPolarHBondContact O-CG1 3.24Å; P159-I163 PolarHBondContact O-N 3.08Å; P159-I163 VanDerWaalsContact O-N 3.08Å
160Y94.8Very high92.2Very high13 Ų1360 Ų605%0.05133%0.327CS..Hα-helixtrans-70.4-33.6-170.4-59-64.1000113.3P76 P102 K103 M146 L147 K157 I163 L164P76-Y160 WeakPolarHBondContact CD-OH 3.45Å; P76-Y160 HydrophobicContact CG-CE2 4.16Å; P76-Y160 WeakPolarHBondContact CG-OH 3.42Å; P102-Y160 HydrophobicContact CG-CE1 3.91Å; K103-Y160 HydrophobicContact CD-CE2 4.01Å; M146-Y160 HydrophobicContact CB-CD1 4.32Å; M146-Y160 HydrophobicContact CG-CD1 4.39Å; M146-Y160 HydrophobicContact SD-CD1 3.99Å; L147-Y160 HydrophobicContact CD2-CD2 4.44Å; L147-Y160 HydrophobicContact CD2-CG 4.41Å; K157-Y160 WeakPolarHBondContact O-CB 3.3Å; K157-Y160 PolarHBondContact O-N 3.34Å; Y160-I163 HydrophobicContact CD1-CD1 4.04Å; Y160-I163 PolarHBondContact O-N 3.47Å; Y160-L164 WeakPolarHBondContact O-CG 3.29Å; Y160-L164 PolarHBondContact O-N 3.33Å
161S94.3Very high92.6Very high33 Ų3362.8 Ų62.823%0.23134%0.337CS..Hα-helixtrans-58.8-48171.942.20000111.8K157 E158 P159 I163 L164 V165K157-S161 PolarHBondContact O-N 3.41Å; E158-S161 PolarHBondContact N-OG 3.1Å; E158-S161 PolarHBondContact OE1-OG 3.27Å; P159-S161 PolarHBondContact O-N 2.77Å; S161-I163 PolarHBondContact O-N 3.33Å; S161-L164 PolarHBondContact O-N 3.48Å; S161-V165 WeakPolarHBondContact O-CG2 3.14Å; S161-V165 PolarHBondContact O-N 2.97Å
162G95.2Very high93.2Very high26 Ų2661.9 Ų61.927%0.26833%0.326SS..Hα-helixtrans-62.1-41.2175.800000112.9E158 P159 L164 V165 T166E158-G162 PolarHBondContact OE1-N 3.33Å; P159-G162 PolarHBondContact O-N 2.94Å; G162-L164 PolarHBondContact O-N 3.34Å; G162-V165 WeakPolarHBondContact O-CB 3.43Å; G162-V165 PolarHBondContact O-N 3.29Å; G162-T166 PolarHBondContact O-N 3.06Å; G162-T166 VanDerWaalsContact O-N 3.14Å; G162-T166 PolarHBondContact O-OG1 2.97Å
163I96.3Very high93.8Very high6 Ų659 Ų593%0.03131%0.313CS..Hα-helixtrans-62.8-43177-62161.1000111.1I73 Y100 P102 L128 M146 P159 Y160 S161 V165 T166 L167I73-I163 HydrophobicContact CD1-CG2 3.99Å; I73-I163 HydrophobicContact CG2-CG2 4.27Å; Y100-I163 HydrophobicContact CD1-CD1 4.24Å; Y100-I163 HydrophobicContact CE1-CD1 3.57Å; Y100-I163 HydrophobicContact CE1-CG1 4.03Å; P102-I163 HydrophobicContact CG-CD1 4.06Å; L128-I163 HydrophobicContact CD2-CB 4.22Å; L128-I163 HydrophobicContact CD2-CG1 3.95Å; L128-I163 HydrophobicContact CD2-CG2 3.71Å; M146-I163 HydrophobicContact CE-CG2 3.87Å; M146-I163 HydrophobicContact SD-CB 3.89Å; M146-I163 HydrophobicContact SD-CD1 4.04Å; M146-I163 HydrophobicContact SD-CG2 3.35Å; M146-I163 WeakPolarHBondContact SD-CG2 3.2Å; P159-I163 HydrophobicContact CB-CD1 4.42Å; P159-I163 WeakPolarHBondContact O-CD1 3.47Å; P159-I163 VanDerWaalsContact O-CG1 3.26Å; P159-I163 WeakPolarHBondContact O-CG1 3.24Å; P159-I163 PolarHBondContact O-N 3.08Å; P159-I163 VanDerWaalsContact O-N 3.08Å; Y160-I163 HydrophobicContact CD1-CD1 4.04Å; Y160-I163 PolarHBondContact O-N 3.47Å; S161-I163 PolarHBondContact O-N 3.33Å; I163-V165 VanDerWaalsContact C-N 3.29Å; I163-V165 PolarHBondContact O-N 3.47Å; I163-T166 WeakPolarHBondContact O-CB 3.35Å; I163-T166 PolarHBondContact O-N 2.99Å; I163-T166 VanDerWaalsContact O-N 3.11Å; I163-L167 HydrophobicContact CG2-CD1 4.1Å; I163-L167 HydrophobicContact CG2-CG 4.11Å; I163-L167 WeakPolarHBondContact O-CG 3.27Å; I163-L167 PolarHBondContact O-N 2.99Å
164L95.1Very high94.5Very high15 Ų1557.6 Ų57.68%0.07930%0.303CS..Hα-helixtrans-60.5-39.2177-73171.4000112.2M146 I156 Y160 S161 G162 T166 L167 K168 S181 I193M146-L164 HydrophobicContact CE-CD2 3.71Å; M146-L164 HydrophobicContact CE-CG 4.14Å; I156-L164 HydrophobicContact CD1-CD1 3.4Å; I156-L164 HydrophobicContact CG2-CD1 4.01Å; Y160-L164 WeakPolarHBondContact O-CG 3.29Å; Y160-L164 PolarHBondContact O-N 3.33Å; S161-L164 PolarHBondContact O-N 3.48Å; G162-L164 PolarHBondContact O-N 3.34Å; L164-T166 VanDerWaalsContact C-N 3.32Å; L164-T166 PolarHBondContact O-N 3.28Å; L164-L167 PolarHBondContact O-N 3.25Å; L164-K168 WeakPolarHBondContact O-CG 3.37Å; L164-K168 PolarHBondContact O-N 3.15Å; L164-S181 VanDerWaalsContact CD2-O 3.27Å; L164-S181 WeakPolarHBondContact CD2-O 3.2Å; L164-I193 HydrophobicContact CD2-CG2 3.74Å
165V95.1Very high95.2Very high85 Ų8552.7 Ų52.752%0.51527%0.268SS..Hα-helixtrans-60.3-43.4174.3173.20000111S161 G162 I163 Q169S161-V165 WeakPolarHBondContact O-CG2 3.14Å; S161-V165 PolarHBondContact O-N 2.97Å; G162-V165 WeakPolarHBondContact O-CB 3.43Å; G162-V165 PolarHBondContact O-N 3.29Å; I163-V165 VanDerWaalsContact C-N 3.29Å; I163-V165 PolarHBondContact O-N 3.47Å; V165-Q169 WeakPolarHBondContact O-CG 3.42Å
166T96.2Very high95.7Very high18 Ų1848.2 Ų48.211%0.1124%0.244CC..Hα-helixtrans-63.3-47.3174.9-58.60000111.5L128 V132 I135 G162 I163 L164 K168 Q169 I170L128-T166 HydrophobicContact CD2-CG2 4.29Å; V132-T166 HydrophobicContact CG2-CG2 4.02Å; I135-T166 HydrophobicContact CD1-CG2 3.6Å; G162-T166 PolarHBondContact O-N 3.06Å; G162-T166 VanDerWaalsContact O-N 3.14Å; G162-T166 PolarHBondContact O-OG1 2.97Å; I163-T166 WeakPolarHBondContact O-CB 3.35Å; I163-T166 PolarHBondContact O-N 2.99Å; I163-T166 VanDerWaalsContact O-N 3.11Å; L164-T166 VanDerWaalsContact C-N 3.32Å; L164-T166 PolarHBondContact O-N 3.28Å; T166-K168 VanDerWaalsContact C-N 3.33Å; T166-K168 PolarHBondContact O-N 3.37Å; T166-Q169 PolarHBondContact O-N 3.35Å; T166-I170 WeakPolarHBondContact O-CG2 3.49Å; T166-I170 PolarHBondContact O-N 3.1Å
167L96.3Very high96Very high2 Ų246.3 Ų46.31%0.0123%0.234CC..Hα-helixtrans-63.7-34.5-178.9-68.7-176000113.2I73 V142 M146 I163 L164 Q169 I170 I174 I193I73-L167 HydrophobicContact CD1-CD1 4.18Å; I73-L167 HydrophobicContact CD1-CD2 3.8Å; I73-L167 HydrophobicContact CD1-CG 4.33Å; V142-L167 HydrophobicContact CG1-CD2 3.87Å; M146-L167 HydrophobicContact CE-CD1 3.59Å; I163-L167 HydrophobicContact CG2-CD1 4.1Å; I163-L167 HydrophobicContact CG2-CG 4.11Å; I163-L167 WeakPolarHBondContact O-CG 3.27Å; I163-L167 PolarHBondContact O-N 2.99Å; L164-L167 PolarHBondContact O-N 3.25Å; L167-Q169 PolarHBondContact O-N 3Å; L167-Q169 VanDerWaalsContact O-N 3.09Å; L167-I170 HydrophobicContact CD2-CD1 4.05Å; L167-I170 WeakPolarHBondContact O-CG1 3.34Å; L167-I170 PolarHBondContact O-N 3.27Å; L167-I174 HydrophobicContact CB-CD1 4.16Å; L167-I174 WeakPolarHBondContact O-CD1 3.2Å; L167-I193 HydrophobicContact CB-CG2 3.79Å
168K95.4Very high96.2Very high100 Ų10040.4 Ų40.444%0.43521%0.209SC..THydrogen-bonded Turntrans-61.3-16.9173.9-76.2-179.5176-170.80113.4L164 T166 D191 G192 I193L164-K168 WeakPolarHBondContact O-CG 3.37Å; L164-K168 PolarHBondContact O-N 3.15Å; T166-K168 VanDerWaalsContact C-N 3.33Å; T166-K168 PolarHBondContact O-N 3.37Å; K168-D191 WeakPolarHBondContact CE-O 3.35Å; K168-D191 PolarHBondContact NZ-O 3.1Å; K168-D191 IonicContact NZ-OD1 2.63Å; K168-D191 PolarHBondContact NZ-OD1 3.39Å; K168-G192 WeakPolarHBondContact CE-O 3.48Å; K168-I193 HydrophobicContact CG-CG2 4.16Å
169Q95.9Very high96.3Very high117 Ų11734.8 Ų34.855%0.54718%0.183SC..THydrogen-bonded Turntrans-108-13-174.1-63.4177.115.100114V132 V165 T166 L167V132-Q169 HydrophobicContact CG1-CB 4.26Å; V132-Q169 WeakPolarHBondContact CG1-O 3.43Å; V132-Q169 HydrophobicContact CG2-CB 3.76Å; V165-Q169 WeakPolarHBondContact O-CG 3.42Å; T166-Q169 PolarHBondContact O-N 3.35Å; L167-Q169 PolarHBondContact O-N 3Å; L167-Q169 VanDerWaalsContact O-N 3.09Å
170I96.6Very high96.3Very high20 Ų2033.1 Ų33.110%0.10317%0.173CC..  trans-68154.2179.176.8178.5000110.6V132 I135 N136 V142 T166 L167 I172 I174V132-I170 HydrophobicContact CG1-CB 4.46Å; V132-I170 HydrophobicContact CG1-CG2 4.13Å; I135-I170 HydrophobicContact CG2-CG2 4.24Å; N136-I170 WeakPolarHBondContact OD1-CB 3.3Å; V142-I170 HydrophobicContact CB-CD1 4.05Å; V142-I170 HydrophobicContact CG2-CD1 3.47Å; V142-I170 VanDerWaalsContact CG2-CD1 3.47Å; T166-I170 WeakPolarHBondContact O-CG2 3.49Å; T166-I170 PolarHBondContact O-N 3.1Å; L167-I170 HydrophobicContact CD2-CD1 4.05Å; L167-I170 WeakPolarHBondContact O-CG1 3.34Å; L167-I170 PolarHBondContact O-N 3.27Å; I170-I172 HydrophobicContact CB-CG1 4.39Å; I170-I172 HydrophobicContact CD1-CD1 4.49Å; I170-I172 HydrophobicContact CD1-CG1 3.79Å; I170-I172 HydrophobicContact CG1-CG1 4.24Å; I170-I174 HydrophobicContact CD1-CD1 3.85Å; I170-I174 HydrophobicContact CD1-CG1 3.56Å; I170-I174 HydrophobicContact CG1-CD1 4.02Å; I170-I174 HydrophobicContact CG1-CG1 4.12Å
171K96.1Very high96.3Very high180 Ų18032.6 Ų32.678%0.78317%0.171SC*.  trans-108.4-9.3-178.7-63.4-178.2-179.8176.10113.1N136N136-K171 PolarHBondContact OD1-N 3.06Å
172I97.6Very high96.1Very high20 Ų2031.8 Ų31.810%0.10317%0.168CC..SBendtrans-83.6155173.660.6174.4000109.9I135 N136 Y139 V142 I170I135-I172 HydrophobicContact CG2-CD1 4.1Å; N136-I172 HydrophobicContact CB-CG2 4.41Å; Y139-I172 WeakPolarHBondContact O-CD1 3.49Å; V142-I172 HydrophobicContact CG2-CD1 3.77Å; V142-I172 HydrophobicContact CG2-CG1 4.24Å; I170-I172 HydrophobicContact CB-CG1 4.39Å; I170-I172 HydrophobicContact CD1-CD1 4.49Å; I170-I172 HydrophobicContact CD1-CG1 3.79Å; I170-I172 HydrophobicContact CG1-CG1 4.24Å
173P98.3Very high96Very high32 Ų3232 Ų3221%0.20816%0.161CC..  trans-60.1142.4-178.6-23.433.2000113.2Y58 N140 L141 V142 E196Y58-P173 HydrophobicContact CE1-CB 3.98Å; Y58-P173 HydrophobicContact CE1-CG 3.94Å; Y58-P173 WeakPolarHBondContact OH-CB 3.27Å; N140-P173 WeakPolarHBondContact O-CD 3.5Å; L141-P173 WeakPolarHBondContact CA-O 3.44Å; L141-P173 HydrophobicContact CB-CB 4.46Å; V142-P173 PolarHBondContact N-O 3.06Å; P173-E196 HydrophobicContact CB-CB 4.2Å; P173-E196 WeakPolarHBondContact CB-OE2 3.33Å; P173-E196 WeakPolarHBondContact CG-OE2 3.25Å
174I98.6Very high95.6Very high9 Ų934.8 Ų34.85%0.04618%0.175CC..EExtended strand (participates in β ladder)trans-106.5134.9169.4-61.1169.8000108.8V142 D144 L167 I170 I193 P195 E196 V197V142-I174 HydrophobicContact CB-CG1 4.49Å; V142-I174 CarbonylContact O-C 3.53Å; V142-I174 WeakPolarHBondContact O-CA 3.4Å; D144-I174 HydrophobicContact CB-CG2 4.02Å; L167-I174 HydrophobicContact CB-CD1 4.16Å; L167-I174 WeakPolarHBondContact O-CD1 3.2Å; I170-I174 HydrophobicContact CD1-CD1 3.85Å; I170-I174 HydrophobicContact CD1-CG1 3.56Å; I170-I174 HydrophobicContact CG1-CD1 4.02Å; I170-I174 HydrophobicContact CG1-CG1 4.12Å; I174-I193 HydrophobicContact CG2-CD1 4.27Å; I174-P195 HydrophobicContact CB-CB 4.34Å; I174-P195 HydrophobicContact CG2-CB 4.13Å; I174-P195 CarbonylContact O-C 3.56Å; I174-P195 WeakPolarHBondContact O-CA 3.41Å; I174-P195 WeakPolarHBondContact O-CB 3.49Å; I174-E196 PolarHBondContact O-N 2.89Å; I174-V197 PolarHBondContact O-N 3.3Å
175V98.7Very high95.2Very high1 Ų134.5 Ų34.51%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-112.9116.3170.6-176.10000108.6I54 Y58 L141 V142 I143 D144 V197 I199I54-V175 HydrophobicContact CD1-CG1 4.32Å; I54-V175 HydrophobicContact CG1-CG1 3.92Å; Y58-V175 HydrophobicContact CD2-CG2 4.25Å; Y58-V175 HydrophobicContact CE2-CG2 3.58Å; L141-V175 HydrophobicContact CD1-CG2 3.97Å; V142-V175 PolarHBondContact O-N 2.95Å; I143-V175 CarbonylContact C-O 3.56Å; I143-V175 WeakPolarHBondContact CA-O 3.49Å; D144-V175 PolarHBondContact N-O 3.29Å; V175-V197 CarbonylContact C-O 3.56Å; V175-V197 WeakPolarHBondContact CA-O 3.4Å; V175-V197 HydrophobicContact CB-CB 4.32Å; V175-V197 HydrophobicContact CG1-CB 3.95Å; V175-V197 HydrophobicContact CG1-CG1 3.99Å; V175-V197 HydrophobicContact CG2-CB 4.01Å; V175-V197 HydrophobicContact CG2-CG2 4.31Å; V175-I199 HydrophobicContact CG1-CD1 3.48Å; V175-I199 VanDerWaalsContact CG1-CD1 3.48Å; V175-I199 HydrophobicContact CG1-CG1 4.02Å
176S98.3Very high94.9Very high0 Ų033.4 Ų33.40%016%0.164CC..EExtended strand (participates in β ladder)trans-96.3132.6179-74.60000111.8D144 P180 V197 I199D144-S176 PolarHBondContact OD2-OG 3.1Å; S176-P180 WeakPolarHBondContact OG-CA 3.41Å; S176-V197 PolarHBondContact N-O 3.02Å; S176-I199 PolarHBondContact O-N 3.22Å
177V98.1Very high94.2Very high0 Ų038.8 Ų38.80%019%0.188CC..EExtended strand (participates in β ladder)trans-87.3119.9174.4179.90000109.4N79 I82 I143 D144 A145 V179 L201N79-V177 PolarHBondContact ND2-O 3.05Å; N79-V177 VanDerWaalsContact OD1-CG1 3.25Å; N79-V177 WeakPolarHBondContact OD1-CG1 3.5Å; I82-V177 HydrophobicContact CB-CG1 4.42Å; I82-V177 HydrophobicContact CG2-CG1 3.71Å; I143-V177 HydrophobicContact CG2-CG2 3.85Å; D144-V177 PolarHBondContact O-N 2.76Å; A145-V177 HydrophobicContact CB-CB 4.37Å; A145-V177 HydrophobicContact CB-CG2 4.09Å; V177-V179 VanDerWaalsContact C-N 3.25Å; V177-V179 PolarHBondContact O-N 3.06Å; V177-L201 HydrophobicContact CG1-CD1 4.18Å
178D95.9Very high93Very high15 Ų1541.6 Ų41.68%0.0821%0.207CC..SBendtrans66.8-62.6175.9-153.147000116.7I199 L201 K205D178-I199 WeakPolarHBondContact CA-O 2.97Å; D178-I199 PolarHBondContact N-O 2.71Å; D178-L201 HydrophobicContact CB-CD1 3.96Å; D178-L201 HydrophobicContact CB-CG 4.11Å; D178-L201 VanDerWaalsContact OD1-CB 3.24Å; D178-L201 WeakPolarHBondContact OD1-CB 3.35Å; D178-L201 WeakPolarHBondContact OD1-CG 3.49Å; D178-L201 PolarHBondContact OD1-N 2.91Å; D178-K205 VanDerWaalsContact CG-CE 3.44Å; D178-K205 WeakPolarHBondContact OD1-CE 3.12Å; D178-K205 IonicContact OD1-NZ 2.74Å; D178-K205 PolarHBondContact OD1-NZ 2.84Å; D178-K205 WeakPolarHBondContact OD2-CE 3.5Å; D178-K205 IonicContact OD2-NZ 2.68Å; D178-K205 PolarHBondContact OD2-NZ 3.43Å
179V94.7Very high91.9Very high4 Ų438.5 Ų38.52%0.02420%0.197CC..SBendtrans-136.1129.1177.7176.70000106.8V177 S181 W183 A185 K205V177-V179 VanDerWaalsContact C-N 3.25Å; V177-V179 PolarHBondContact O-N 3.06Å; V179-S181 PolarHBondContact O-N 3.33Å; V179-W183 HydrophobicContact CG1-CB 4.25Å; V179-A185 HydrophobicContact CG2-CB 4.37Å; V179-K205 HydrophobicContact CG2-CB 4.1Å; V179-K205 HydrophobicContact CG2-CG 4.01Å
180P95.4Very high90.4Very high0 Ų042.5 Ų42.50%022%0.216CC..  trans-60.3130.6176.4-20.232.2000111.2S176 G182 W183 I193 P195 L198S176-P180 WeakPolarHBondContact OG-CA 3.41Å; P180-G182 PolarHBondContact O-N 2.97Å; P180-W183 HydrophobicContact CB-CD2 3.96Å; P180-W183 HydrophobicContact CB-CG 3.83Å; P180-W183 HydrophobicContact CG-CD2 3.86Å; P180-W183 HydrophobicContact CG-CE3 4.15Å; P180-W183 HydrophobicContact CG-CG 4.17Å; P180-W183 HydrophobicContact CG-CZ2 4.4Å; P180-W183 VanDerWaalsContact O-CB 3.29Å; P180-W183 WeakPolarHBondContact O-CB 3.5Å; P180-W183 PolarHBondContact O-N 3.47Å; P180-I193 HydrophobicContact CB-CD1 4.24Å; P180-I193 HydrophobicContact CB-CG1 4.07Å; P180-P195 HydrophobicContact CB-CG 3.97Å; P180-P195 HydrophobicContact CG-CG 3.77Å; P180-L198 HydrophobicContact CG-CD1 4.02Å
181S94.4Very high89.3Confident1 Ų147.6 Ų47.61%0.00724%0.244CC..THydrogen-bonded Turntrans-58.9129-176.5-69.20000111.5D144 M146 L147 L164 V179D144-S181 VanDerWaalsContact CG-OG 3.26Å; D144-S181 WeakPolarHBondContact OD1-CB 3.26Å; D144-S181 PolarHBondContact OD1-OG 3.32Å; D144-S181 WeakPolarHBondContact OD2-CB 3.27Å; D144-S181 PolarHBondContact OD2-N 3.02Å; D144-S181 PolarHBondContact OD2-OG 2.81Å; M146-S181 WeakPolarHBondContact CB-OG 3.41Å; L147-S181 PolarHBondContact N-OG 3.47Å; L147-S181 PolarHBondContact O-OG 3.05Å; L164-S181 VanDerWaalsContact CD2-O 3.27Å; L164-S181 WeakPolarHBondContact CD2-O 3.2Å; V179-S181 PolarHBondContact O-N 3.33Å
182G90.9Very high88.6Confident16 Ų1639.9 Ų39.917%0.16522%0.215CC..THydrogen-bonded Turntrans86.23.8-17600000115.2I156 P180I156-G182 VanDerWaalsContact CD1-CA 3.5Å; P180-G182 PolarHBondContact O-N 2.97Å
183W91.6Very high88.4Confident32 Ų3239 Ų3912%0.12121%0.211CC..SBendtrans-84.6148.4164.9-69.936.3000110.2S153 V179 P180 I193 C207 F211S153-W183 WeakPolarHBondContact CB-O 3.45Å; V179-W183 HydrophobicContact CG1-CB 4.25Å; P180-W183 HydrophobicContact CB-CD2 3.96Å; P180-W183 HydrophobicContact CB-CG 3.83Å; P180-W183 HydrophobicContact CG-CD2 3.86Å; P180-W183 HydrophobicContact CG-CE3 4.15Å; P180-W183 HydrophobicContact CG-CG 4.17Å; P180-W183 HydrophobicContact CG-CZ2 4.4Å; P180-W183 VanDerWaalsContact O-CB 3.29Å; P180-W183 WeakPolarHBondContact O-CB 3.5Å; P180-W183 PolarHBondContact O-N 3.47Å; W183-I193 PolarHBondContact NE1-O 3.06Å; W183-C207 HydrophobicContact CE3-CB 4.2Å; W183-C207 WeakPolarHBondContact CZ3-O 3.44Å; W183-F211 HydrophobicContact CH2-CD2 4.31Å
184D88.9Confident88.1Confident63 Ų6344 Ų4434%0.33724%0.236SC..  trans-70.9136.5160.2-168-46000107.9E186 E187 C207D184-E186 VanDerWaalsContact C-N 3.32Å; D184-E186 WeakPolarHBondContact OD1-CB 3.23Å; D184-E186 PolarHBondContact OD1-N 3.13Å; D184-E187 HydrophobicContact CB-CB 4.35Å; D184-C207 WeakPolarHBondContact O-CB 3.5Å
185A86.8Confident88Confident9 Ų943.7 Ų43.77%0.07423%0.234CC..SBendtrans-75.3-21.5-179.700000113.5L149 V179 K206 C207L149-A185 HydrophobicContact CD1-CB 3.32Å; V179-A185 HydrophobicContact CG2-CB 4.37Å; A185-K206 PolarHBondContact O-N 3.02Å; A185-C207 PolarHBondContact O-N 3.11Å
186E87.8Confident88Confident62 Ų6247.7 Ų47.729%0.2925%0.253SS..SBendtrans-91.4-26.3-179.5-63.2-68.216100112.8S20 K21 D184 K206S20-E186 VanDerWaalsContact CA-OE1 3.3Å; S20-E186 WeakPolarHBondContact CA-OE1 3.46Å; S20-E186 VanDerWaalsContact CB-OE1 3.23Å; S20-E186 WeakPolarHBondContact CB-OE1 3.42Å; S20-E186 WeakPolarHBondContact CB-OE2 2.94Å; K21-E186 WeakPolarHBondContact CB-OE1 3.35Å; K21-E186 PolarHBondContact N-OE1 3.36Å; D184-E186 VanDerWaalsContact C-N 3.32Å; D184-E186 WeakPolarHBondContact OD1-CB 3.23Å; D184-E186 PolarHBondContact OD1-N 3.13Å; E186-K206 VanDerWaalsContact O-CB 3.29Å; E186-K206 WeakPolarHBondContact O-CB 3.43Å; E186-K206 WeakPolarHBondContact OE2-CD 3.35Å; E186-K206 WeakPolarHBondContact OE2-CE 3.38Å; E186-K206 IonicContact OE2-NZ 2.73Å; E186-K206 PolarHBondContact OE2-NZ 3.48Å
187E82.6Confident88Confident131 Ų13147.7 Ų47.761%0.61225%0.253SS*.SBendtrans-124.7140.9-173.1-63.4-168.1175.500112.2D184 S189D184-E187 HydrophobicContact CB-CB 4.35Å; E187-S189 PolarHBondContact O-N 2.85Å; E187-S189 VanDerWaalsContact O-N 3.13Å
188P71.1Confident88Confident62 Ų6247.7 Ų47.740%0.40325%0.253SS..  trans-61117171.3-17.830000110.2
189S70.9Confident88.1Confident34 Ų3447 Ų4724%0.23825%0.249CC..  trans-83.9140.5179.8-174.80000111.6E187 D191E187-S189 PolarHBondContact O-N 2.85Å; E187-S189 VanDerWaalsContact O-N 3.13Å; S189-D191 PolarHBondContact OG-N 3.17Å
190Q65.3Low88.3Confident201 Ų20146.8 Ų46.894%0.93925%0.248SC*.SBendtrans-102.9-10170.6-65.2-170.2200113.5
191D73.9Confident88.3Confident128 Ų12847 Ų4768%0.68425%0.249SC*.SBendtrans-121.529-173.7-164.810000113.1K168 S189K168-D191 WeakPolarHBondContact CE-O 3.35Å; K168-D191 PolarHBondContact NZ-O 3.1Å; K168-D191 IonicContact NZ-OD1 2.63Å; K168-D191 PolarHBondContact NZ-OD1 3.39Å; S189-D191 PolarHBondContact OG-N 3.17Å
192G82.1Confident88.3Confident18 Ų1847.3 Ų47.319%0.18625%0.251CS..SBendtrans-97.4-171.3173.700000113.6K168K168-G192 WeakPolarHBondContact CE-O 3.48Å
193I92.3Very high88.5Confident2 Ų246.6 Ų46.61%0.0124%0.243CC..  trans-63.7159160.557.9176.1000110D144 L164 L167 K168 I174 P180 W183 P195D144-I193 HydrophobicContact CB-CD1 4.06Å; D144-I193 WeakPolarHBondContact OD2-CD1 3.17Å; L164-I193 HydrophobicContact CD2-CG2 3.74Å; L167-I193 HydrophobicContact CB-CG2 3.79Å; K168-I193 HydrophobicContact CG-CG2 4.16Å; I174-I193 HydrophobicContact CG2-CD1 4.27Å; P180-I193 HydrophobicContact CB-CD1 4.24Å; P180-I193 HydrophobicContact CB-CG1 4.07Å; W183-I193 PolarHBondContact NE1-O 3.06Å; I193-P195 VanDerWaalsContact O-CD 3.3Å; I193-P195 WeakPolarHBondContact O-CD 3.35Å
194N92.9Very high88.7Confident136 Ų13645 Ų4573%0.72724%0.237SC*.  trans-114.685.3178.9-173.235.7000110.3
195P96.6Very high89Confident3 Ų342 Ų422%0.01922%0.221CC..  trans-71.9142.5-179.628.5-30.6000111.7I174 P180 I193 V197 F211I174-P195 HydrophobicContact CB-CB 4.34Å; I174-P195 HydrophobicContact CG2-CB 4.13Å; I174-P195 CarbonylContact O-C 3.56Å; I174-P195 WeakPolarHBondContact O-CA 3.41Å; I174-P195 WeakPolarHBondContact O-CB 3.49Å; P180-P195 HydrophobicContact CB-CG 3.97Å; P180-P195 HydrophobicContact CG-CG 3.77Å; I193-P195 VanDerWaalsContact O-CD 3.3Å; I193-P195 WeakPolarHBondContact O-CD 3.35Å; P195-V197 VanDerWaalsContact C-N 3.34Å; P195-F211 HydrophobicContact CG-CE2 3.87Å; P195-F211 HydrophobicContact CG-CZ 4.38Å; P195-F211 WeakPolarHBondContact O-CE2 3.34Å; P195-F211 WeakPolarHBondContact O-CZ 3.22Å
196E97.8Very high89.4Confident84 Ų8445.5 Ų45.539%0.39323%0.234SC..SBendtrans-77.1-28.9171.2-175.7176.2148.700110.8Y58 P173 I174 G213 K214Y58-E196 WeakPolarHBondContact OH-CG 3.45Å; Y58-E196 PolarHBondContact OH-OE1 3.22Å; P173-E196 HydrophobicContact CB-CB 4.2Å; P173-E196 WeakPolarHBondContact CB-OE2 3.33Å; P173-E196 WeakPolarHBondContact CG-OE2 3.25Å; I174-E196 PolarHBondContact O-N 2.89Å; E196-G213 CarbonylContact O-C 3.15Å; E196-G213 WeakPolarHBondContact O-CA 3.27Å; E196-K214 PolarHBondContact O-N 3.27Å
197V98.5Very high89.6Confident0 Ų042.5 Ų42.50%022%0.22CC..EExtended strand (participates in β ladder)trans-129.2131.8178.5-176.30000110.6A57 Y58 I174 V175 S176 P195 I199 K214 F216A57-V197 HydrophobicContact CB-CG2 4.04Å; Y58-V197 HydrophobicContact CE2-CG2 3.56Å; Y58-V197 WeakPolarHBondContact OH-CG2 3.41Å; I174-V197 PolarHBondContact O-N 3.3Å; V175-V197 CarbonylContact C-O 3.56Å; V175-V197 WeakPolarHBondContact CA-O 3.4Å; V175-V197 HydrophobicContact CB-CB 4.32Å; V175-V197 HydrophobicContact CG1-CB 3.95Å; V175-V197 HydrophobicContact CG1-CG1 3.99Å; V175-V197 HydrophobicContact CG2-CB 4.01Å; V175-V197 HydrophobicContact CG2-CG2 4.31Å; S176-V197 PolarHBondContact N-O 3.02Å; P195-V197 VanDerWaalsContact C-N 3.34Å; V197-I199 HydrophobicContact CG1-CG1 4.16Å; V197-K214 VanDerWaalsContact CA-O 3.25Å; V197-K214 WeakPolarHBondContact CA-O 3.13Å; V197-K214 HydrophobicContact CG2-CB 4.18Å; V197-K214 HydrophobicContact CG2-CD 4.4Å; V197-F216 HydrophobicContact CG1-CD2 3.62Å; V197-F216 HydrophobicContact CG1-CE2 3.87Å
198L98.2Very high90.2Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-112.4130.9169177.858.4000109.3P180 A208 F211 K214 H215 F216P180-L198 HydrophobicContact CG-CD1 4.02Å; L198-A208 HydrophobicContact CD2-CB 3.56Å; L198-F211 HydrophobicContact CB-CD1 3.72Å; L198-F211 HydrophobicContact CB-CD2 4.43Å; L198-F211 HydrophobicContact CB-CE1 3.41Å; L198-F211 VanDerWaalsContact CB-CE1 3.41Å; L198-F211 HydrophobicContact CB-CE2 4.2Å; L198-F211 HydrophobicContact CB-CG 4.21Å; L198-F211 HydrophobicContact CB-CZ 3.68Å; L198-F211 HydrophobicContact CD2-CB 4.3Å; L198-F211 HydrophobicContact CD2-CD1 4.15Å; L198-F211 HydrophobicContact CD2-CD2 4.42Å; L198-F211 HydrophobicContact CD2-CG 4.01Å; L198-K214 PolarHBondContact N-O 3.43Å; L198-H215 WeakPolarHBondContact O-CA 3.36Å; L198-H215 PolarHBondContact O-CD2 2.82Å; L198-F216 PolarHBondContact O-N 2.66Å
199I98.5Very high91.1Very high0 Ų038.2 Ų38.20%020%0.198CC..EExtended strand (participates in β ladder)trans-112.997.6176.4-56.2166.8000108.2C50 A53 I54 V175 S176 D178 V197 L201 F216 A218C50-I199 HydrophobicContact CB-CD1 4.26Å; A53-I199 HydrophobicContact CB-CD1 3.78Å; A53-I199 HydrophobicContact CB-CG1 3.93Å; A53-I199 HydrophobicContact CB-CG2 4.21Å; I54-I199 HydrophobicContact CD1-CD1 4.37Å; I54-I199 HydrophobicContact CG1-CD1 3.96Å; V175-I199 HydrophobicContact CG1-CD1 3.48Å; V175-I199 VanDerWaalsContact CG1-CD1 3.48Å; V175-I199 HydrophobicContact CG1-CG1 4.02Å; S176-I199 PolarHBondContact O-N 3.22Å; D178-I199 WeakPolarHBondContact CA-O 2.97Å; D178-I199 PolarHBondContact N-O 2.71Å; V197-I199 HydrophobicContact CG1-CG1 4.16Å; I199-L201 HydrophobicContact CG2-CD2 4.39Å; I199-F216 CarbonylContact C-O 3.55Å; I199-F216 WeakPolarHBondContact CA-O 3.29Å; I199-F216 HydrophobicContact CG1-CB 4.46Å; I199-A218 HydrophobicContact CG2-CB 3.55Å
200S97.7Very high91.8Very high0 Ų042.1 Ų42.10%022%0.216CC..EExtended strand (participates in β ladder)trans-78.8132.5175-710000111.5H215 F216 A218S200-H215 PolarHBondContact OG-NE2 3.25Å; S200-F216 PolarHBondContact N-O 3.38Å; S200-A218 PolarHBondContact O-N 2.69Å
201L96.4Very high93.2Very high4 Ų433.8 Ų33.82%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-98139.2177.4-53.7175.4000110.4W46 I82 V177 D178 I199 A203 K205 A218W46-L201 HydrophobicContact CB-CD1 3.85Å; W46-L201 HydrophobicContact CB-CD2 4.02Å; W46-L201 HydrophobicContact CB-CG 4.49Å; W46-L201 HydrophobicContact CD2-CD1 4.29Å; W46-L201 HydrophobicContact CG-CB 4.33Å; W46-L201 HydrophobicContact CG-CD1 3.8Å; W46-L201 HydrophobicContact CG-CD2 4.14Å; W46-L201 HydrophobicContact CG-CG 4.32Å; I82-L201 HydrophobicContact CD1-CD1 3.67Å; I82-L201 HydrophobicContact CG2-CD1 4.34Å; V177-L201 HydrophobicContact CG1-CD1 4.18Å; D178-L201 HydrophobicContact CB-CD1 3.96Å; D178-L201 HydrophobicContact CB-CG 4.11Å; D178-L201 VanDerWaalsContact OD1-CB 3.24Å; D178-L201 WeakPolarHBondContact OD1-CB 3.35Å; D178-L201 WeakPolarHBondContact OD1-CG 3.49Å; D178-L201 PolarHBondContact OD1-N 2.91Å; I199-L201 HydrophobicContact CG2-CD2 4.39Å; L201-A203 PolarHBondContact O-N 3.03Å; L201-K205 PolarHBondContact O-NZ 3.44Å; L201-A218 HydrophobicContact CD2-CB 4.33Å
202M93.1Very high94Very high9 Ų933.2 Ų33.24%0.04418%0.183CC..SBendtrans66.1-64.3-176.2-58.5-175.3-73.700113.8I27 L31 W46 A218 F221 L222I27-M202 HydrophobicContact CG2-SD 3.91Å; L31-M202 HydrophobicContact CD1-SD 3.96Å; W46-M202 HydrophobicContact CZ2-CE 4.05Å; W46-M202 HydrophobicContact CZ2-CG 4.03Å; W46-M202 HydrophobicContact CZ2-SD 3.75Å; M202-A218 PolarHBondContact N-O 2.7Å; M202-F221 HydrophobicContact CG-CZ 4.12Å; M202-L222 HydrophobicContact CB-CD1 4.01Å; M202-L222 HydrophobicContact CB-CD2 4.38Å; M202-L222 HydrophobicContact CB-CG 4.49Å; M202-L222 HydrophobicContact CG-CD2 4.18Å; M202-L222 HydrophobicContact SD-CD2 4.32Å
203A94.9Very high94.6Very high0 Ų033.9 Ų33.90%019%0.189CC..SBendtrans-153.3156.417300000109L19 L201 K205 L232 L234L19-A203 HydrophobicContact CD1-CB 3.67Å; L19-A203 HydrophobicContact CG-CB 3.77Å; L201-A203 PolarHBondContact O-N 3.03Å; A203-K205 PolarHBondContact O-NZ 3.47Å; A203-L232 HydrophobicContact CB-CD2 4.38Å; A203-L234 HydrophobicContact CB-CD2 4.11Å
204P95.8Very high94.8Very high0 Ų037.4 Ų37.40%021%0.205CC..  trans-56.7144.5175-2537.4000112.4L16 Y18 L19 A208 L246L16-P204 HydrophobicContact CD2-CG 3.98Å; L16-P204 HydrophobicContact CG-CG 4.48Å; Y18-P204 CarbonylContact C-O 3.58Å; Y18-P204 WeakPolarHBondContact CA-O 3.42Å; Y18-P204 HydrophobicContact CD1-CB 3.54Å; Y18-P204 HydrophobicContact CE1-CB 3.51Å; Y18-P204 HydrophobicContact CE1-CG 4.3Å; Y18-P204 HydrophobicContact CG-CB 4.13Å; L19-P204 PolarHBondContact N-O 3.48Å; P204-A208 HydrophobicContact CB-CB 4.43Å; P204-L246 HydrophobicContact CG-CD1 3.66Å
205K95.8Very high95.1Very high0 Ų031.4 Ų31.40%017%0.172CC..BIsolated β-bridgetrans-87.3153.3169.1-93.156.361.8-1790109.6Y18 L19 A24 L149 D178 V179 L201 A203 C207 A208Y18-K205 WeakPolarHBondContact CD1-O 3.49Å; L19-K205 HydrophobicContact CB-CD 4.46Å; L19-K205 WeakPolarHBondContact O-CA 3.21Å; A24-K205 HydrophobicContact CB-CD 4.49Å; L149-K205 HydrophobicContact CD1-CD 4.45Å; L149-K205 HydrophobicContact CD1-CG 3.74Å; D178-K205 VanDerWaalsContact CG-CE 3.44Å; D178-K205 WeakPolarHBondContact OD1-CE 3.12Å; D178-K205 IonicContact OD1-NZ 2.74Å; D178-K205 PolarHBondContact OD1-NZ 2.84Å; D178-K205 WeakPolarHBondContact OD2-CE 3.5Å; D178-K205 IonicContact OD2-NZ 2.68Å; D178-K205 PolarHBondContact OD2-NZ 3.43Å; V179-K205 HydrophobicContact CG2-CB 4.1Å; V179-K205 HydrophobicContact CG2-CG 4.01Å; L201-K205 PolarHBondContact O-NZ 3.44Å; A203-K205 PolarHBondContact O-NZ 3.47Å; K205-C207 PolarHBondContact O-N 3.07Å; K205-A208 VanDerWaalsContact O-CB 3.25Å; K205-A208 WeakPolarHBondContact O-CB 3.45Å; K205-A208 PolarHBondContact O-N 2.81Å
206K95.2Very high95.2Very high81 Ų8131.3 Ų31.335%0.35217%0.172SC..G310 helixtrans-52.8-31.8-178.3-70.2-175.5-164.5156.40114.4L19 A185 E186 A208 L209L19-K206 PolarHBondContact O-N 3Å; A185-K206 PolarHBondContact O-N 3.02Å; E186-K206 VanDerWaalsContact O-CB 3.29Å; E186-K206 WeakPolarHBondContact O-CB 3.43Å; E186-K206 WeakPolarHBondContact OE2-CD 3.35Å; E186-K206 WeakPolarHBondContact OE2-CE 3.38Å; E186-K206 IonicContact OE2-NZ 2.73Å; E186-K206 PolarHBondContact OE2-NZ 3.48Å; K206-A208 PolarHBondContact O-N 3.41Å; K206-L209 WeakPolarHBondContact O-CB 3.33Å; K206-L209 PolarHBondContact O-N 2.85Å
207C92.5Very high95.1Very high0 Ų027.3 Ų27.30%015%0.153CC..G310 helixtrans-54.3-26.3173.572.20000113.7W183 D184 A185 K205W183-C207 HydrophobicContact CE3-CB 4.2Å; W183-C207 WeakPolarHBondContact CZ3-O 3.44Å; D184-C207 WeakPolarHBondContact O-CB 3.5Å; A185-C207 PolarHBondContact O-N 3.11Å; K205-C207 PolarHBondContact O-N 3.07Å
208A94.8Very high94.9Very high1 Ų127.3 Ų27.31%0.00815%0.153CC..G310 helixtrans-85-4-178.300000114.3Y18 L198 P204 K205 K206 N210 F211Y18-A208 HydrophobicContact CD1-CB 4.33Å; Y18-A208 HydrophobicContact CE1-CB 4Å; L198-A208 HydrophobicContact CD2-CB 3.56Å; P204-A208 HydrophobicContact CB-CB 4.43Å; K205-A208 VanDerWaalsContact O-CB 3.25Å; K205-A208 WeakPolarHBondContact O-CB 3.45Å; K205-A208 PolarHBondContact O-N 2.81Å; K206-A208 PolarHBondContact O-N 3.41Å; A208-N210 PolarHBondContact O-N 3.37Å; A208-F211 WeakPolarHBondContact O-CB 3.1Å; A208-F211 PolarHBondContact O-N 3.45Å
209L91.1Very high94.2Very high101 Ų10127.5 Ų27.553%0.52916%0.155SC..THydrogen-bonded Turntrans-54.1-33.5-173.4-166.684.1000113.3Y18 K206Y18-L209 HydrophobicContact CD1-CB 4.29Å; Y18-L209 HydrophobicContact CD1-CD1 4.16Å; Y18-L209 HydrophobicContact CD2-CD1 3.8Å; Y18-L209 VanDerWaalsContact CE1-CA 3.49Å; Y18-L209 HydrophobicContact CE1-CB 4.37Å; Y18-L209 HydrophobicContact CE1-CD1 4.37Å; Y18-L209 HydrophobicContact CE2-CD1 4.01Å; Y18-L209 HydrophobicContact CG-CD1 3.9Å; K206-L209 WeakPolarHBondContact O-CB 3.33Å; K206-L209 PolarHBondContact O-N 2.85Å
210N84.9Confident93.9Very high117 Ų11733 Ų3363%0.62618%0.176SC*.THydrogen-bonded Turntrans-116.922-179.3-61.3-40.6000112.4A208 S212A208-N210 PolarHBondContact O-N 3.37Å; N210-S212 PolarHBondContact O-N 2.98Å
211F93.6Very high93.8Very high26 Ų2634.7 Ų34.711%0.11418%0.183CC..  trans-67.8130.9176.6-177.8-108.1000109.9W183 P195 L198 A208 G213 K214 H215W183-F211 HydrophobicContact CH2-CD2 4.31Å; P195-F211 HydrophobicContact CG-CE2 3.87Å; P195-F211 HydrophobicContact CG-CZ 4.38Å; P195-F211 WeakPolarHBondContact O-CE2 3.34Å; P195-F211 WeakPolarHBondContact O-CZ 3.22Å; L198-F211 HydrophobicContact CB-CD1 3.72Å; L198-F211 HydrophobicContact CB-CD2 4.43Å; L198-F211 HydrophobicContact CB-CE1 3.41Å; L198-F211 VanDerWaalsContact CB-CE1 3.41Å; L198-F211 HydrophobicContact CB-CE2 4.2Å; L198-F211 HydrophobicContact CB-CG 4.21Å; L198-F211 HydrophobicContact CB-CZ 3.68Å; L198-F211 HydrophobicContact CD2-CB 4.3Å; L198-F211 HydrophobicContact CD2-CD1 4.15Å; L198-F211 HydrophobicContact CD2-CD2 4.42Å; L198-F211 HydrophobicContact CD2-CG 4.01Å; A208-F211 WeakPolarHBondContact O-CB 3.1Å; A208-F211 PolarHBondContact O-N 3.45Å; F211-G213 VanDerWaalsContact CE1-CA 3.46Å; F211-K214 WeakPolarHBondContact CE1-O 3.3Å; F211-H215 HydrophobicContact CD1-CB 3.96Å; F211-H215 HydrophobicContact CE1-CB 4.3Å
212S90.9Very high93.7Very high115 Ų11535 Ų3580%0.80419%0.185SC*.  trans-112.8-2.2-171.157.70000114.4N210N210-S212 PolarHBondContact O-N 2.98Å
213G95Very high93.8Very high32 Ų3236 Ų3633%0.3319%0.192SC..SBendtrans-81.7-169.5170.900000112.1E196 F211 H215E196-G213 CarbonylContact O-C 3.15Å; E196-G213 WeakPolarHBondContact O-CA 3.27Å; F211-G213 VanDerWaalsContact CE1-CA 3.46Å; G213-H215 PolarHBondContact O-N 3.28Å
214K97.6Very high93.8Very high76 Ų7643.4 Ų43.433%0.3322%0.221SC..EExtended strand (participates in β ladder)trans-72.6121.7174.1-60.7174.1-178.41610109.4E196 V197 L198 F211 F216E196-K214 PolarHBondContact O-N 3.27Å; V197-K214 VanDerWaalsContact CA-O 3.25Å; V197-K214 WeakPolarHBondContact CA-O 3.13Å; V197-K214 HydrophobicContact CG2-CB 4.18Å; V197-K214 HydrophobicContact CG2-CD 4.4Å; L198-K214 PolarHBondContact N-O 3.43Å; F211-K214 WeakPolarHBondContact CE1-O 3.3Å; K214-F216 HydrophobicContact CB-CE2 4.13Å
215H97.9Very high93.9Very high11 Ų1148.3 Ų48.35%0.05125%0.247CC..EExtended strand (participates in β ladder)trans-111.4115.9-176-166.3177.1000109.9L198 S200 F211 G213 E245 L246L198-H215 WeakPolarHBondContact O-CA 3.36Å; L198-H215 PolarHBondContact O-CD2 2.82Å; S200-H215 PolarHBondContact OG-NE2 3.25Å; F211-H215 HydrophobicContact CD1-CB 3.96Å; F211-H215 HydrophobicContact CE1-CB 4.3Å; G213-H215 PolarHBondContact O-N 3.28Å; H215-E245 CarbonylContact O-C 3.39Å; H215-E245 WeakPolarHBondContact O-CA 3.39Å; H215-L246 HydrophobicContact CB-CB 4.18Å; H215-L246 PolarHBondContact O-N 2.61Å
216F98.1Very high94Very high1 Ų148.3 Ų48.30%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-100.1135.1172.5-67.2-83.5000110.9A53 K56 A57 V197 L198 I199 S200 K214 L243 L244 E245A53-F216 HydrophobicContact CB-CB 4.01Å; A53-F216 HydrophobicContact CB-CD1 4.47Å; A53-F216 HydrophobicContact CB-CD2 4.29Å; A53-F216 HydrophobicContact CB-CG 3.98Å; K56-F216 HydrophobicContact CD-CE1 4.02Å; K56-F216 HydrophobicContact CG-CE1 4.35Å; A57-F216 HydrophobicContact CB-CE2 3.8Å; A57-F216 HydrophobicContact CB-CZ 4.2Å; V197-F216 HydrophobicContact CG1-CD2 3.62Å; V197-F216 HydrophobicContact CG1-CE2 3.87Å; L198-F216 PolarHBondContact O-N 2.66Å; I199-F216 CarbonylContact C-O 3.55Å; I199-F216 WeakPolarHBondContact CA-O 3.29Å; I199-F216 HydrophobicContact CG1-CB 4.46Å; S200-F216 PolarHBondContact N-O 3.38Å; K214-F216 HydrophobicContact CB-CE2 4.13Å; F216-L243 HydrophobicContact CD1-CD1 3.61Å; F216-L243 HydrophobicContact CE1-CD1 4.01Å; F216-L244 CarbonylContact C-O 3.48Å; F216-L244 VanDerWaalsContact CA-O 3.26Å; F216-L244 WeakPolarHBondContact CA-O 3.32Å; F216-E245 HydrophobicContact CD1-CB 4.07Å; F216-E245 HydrophobicContact CD1-CG 4.48Å; F216-E245 HydrophobicContact CE1-CB 3.78Å; F216-E245 HydrophobicContact CE1-CG 4.06Å; F216-E245 HydrophobicContact CZ-CB 4.43Å; F216-E245 HydrophobicContact CZ-CG 4.23Å
217L97.4Very high94Very high0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans-95121.6160.8177.963000108.3L234 Y237 L243 L244 L246L217-L234 HydrophobicContact CD2-CD2 4.03Å; L217-Y237 WeakPolarHBondContact CG-OH 3.44Å; L217-L243 CarbonylContact O-C 3.54Å; L217-L243 WeakPolarHBondContact O-CA 3.23Å; L217-L244 HydrophobicContact CB-CD1 3.97Å; L217-L244 HydrophobicContact CB-CG 4.11Å; L217-L244 HydrophobicContact CD2-CD2 4.46Å; L217-L244 PolarHBondContact N-O 3.46Å; L217-L244 PolarHBondContact O-N 2.77Å; L217-L246 HydrophobicContact CB-CD1 4.12Å; L217-L246 HydrophobicContact CB-CD2 4.36Å; L217-L246 HydrophobicContact CB-CG 4.14Å
218A94Very high94.2Very high0 Ų053.9 Ų53.90%027%0.272CS..EExtended strand (participates in β ladder)trans-127.7148.3-171.800000111.9A49 I199 S200 L201 M202 L243A49-A218 HydrophobicContact CB-CB 3.82Å; I199-A218 HydrophobicContact CG2-CB 3.55Å; S200-A218 PolarHBondContact O-N 2.69Å; L201-A218 HydrophobicContact CD2-CB 4.33Å; M202-A218 PolarHBondContact N-O 2.7Å; A218-L243 HydrophobicContact CB-CB 4.36Å
219G83.8Confident94.3Very high4 Ų459.9 Ų59.94%0.04130%0.298CS..  trans9459.4178.300000113F221 C242G219-F221 WeakPolarHBondContact O-CD1 3.11Å; G219-F221 WeakPolarHBondContact O-CE1 3.33Å; G219-F221 PolarHBondContact O-N 2.92Å; G219-C242 PolarHBondContact N-O 2.97Å; G219-C242 VanDerWaalsContact N-O 3.1Å
220R92.5Very high94.6Very high116 Ų11656.2 Ų56.244%0.43828%0.277SS..THydrogen-bonded Turntrans-68.174.1171.7-170-169-176.9177.52.2112.3Y237 G239 D241 C242R220-Y237 HydrophobicContact CB-CD1 3.98Å; R220-Y237 HydrophobicContact CB-CD2 4.2Å; R220-Y237 HydrophobicContact CB-CE1 3.77Å; R220-Y237 HydrophobicContact CB-CE2 4.01Å; R220-Y237 HydrophobicContact CB-CG 4.19Å; R220-Y237 VanDerWaalsContact CD-CG 3.46Å; R220-Y237 HydrophobicContact CG-CD1 4.16Å; R220-Y237 HydrophobicContact CG-CD2 3.62Å; R220-Y237 HydrophobicContact CG-CE1 4.26Å; R220-Y237 HydrophobicContact CG-CE2 3.75Å; R220-Y237 HydrophobicContact CG-CG 3.83Å; R220-Y237 VanDerWaalsContact CZ-CB 3.46Å; R220-G239 PolarHBondContact NH1-O 3.3Å; R220-D241 WeakPolarHBondContact CD-O 3.37Å; R220-D241 PolarHBondContact NH1-O 2.81Å; R220-C242 HydrophobicContact CB-CB 4.34Å; R220-C242 PolarHBondContact N-O 2.97Å
221F93.6Very high95.1Very high34 Ų3456 Ų5615%0.14927%0.273CS..THydrogen-bonded Turntrans-137.4-3.5176.566.4-98.5000113.9L31 F37 L42 L45 W46 M202 G219 P223L31-F221 HydrophobicContact CD1-CE2 3.97Å; L31-F221 HydrophobicContact CD2-CE2 4.49Å; F37-F221 HydrophobicContact CE1-CD2 4.4Å; L42-F221 HydrophobicContact CD2-CD2 4.39Å; L42-F221 HydrophobicContact CD2-CE2 3.7Å; L42-F221 HydrophobicContact CD2-CZ 4.09Å; L45-F221 HydrophobicContact CB-CD1 4.14Å; L45-F221 HydrophobicContact CB-CE1 4.31Å; L45-F221 HydrophobicContact CD1-CB 4.16Å; L45-F221 HydrophobicContact CD1-CD1 4.05Å; L45-F221 HydrophobicContact CD1-CD2 4.43Å; L45-F221 HydrophobicContact CD1-CG 3.96Å; W46-F221 AromaticContact CD1-CE1 3.65Å; W46-F221 AromaticContact CE2-CZ 3.75Å; W46-F221 HydrophobicContact CZ2-CZ 4.01Å; W46-F221 AromaticContact NE1-CE1 3.33Å; W46-F221 VanDerWaalsContact NE1-CE1 3.33Å; W46-F221 AromaticContact NE1-CZ 3.25Å; W46-F221 VanDerWaalsContact NE1-CZ 3.25Å; M202-F221 HydrophobicContact CG-CZ 4.12Å; G219-F221 WeakPolarHBondContact O-CD1 3.11Å; G219-F221 WeakPolarHBondContact O-CE1 3.33Å; G219-F221 PolarHBondContact O-N 2.92Å; F221-P223 WeakPolarHBondContact O-CD 3.3Å
222L95Very high95.2Very high12 Ų1254.8 Ų54.86%0.06327%0.267CS..  trans-63.4126.5-177.2-70.7178000111.4I27 L31 M202 I226 Q227 L232 L234I27-L222 HydrophobicContact CG2-CD2 4.12Å; L31-L222 HydrophobicContact CD1-CD2 3.9Å; L31-L222 HydrophobicContact CD2-CD2 4.34Å; M202-L222 HydrophobicContact CB-CD1 4.01Å; M202-L222 HydrophobicContact CB-CD2 4.38Å; M202-L222 HydrophobicContact CB-CG 4.49Å; M202-L222 HydrophobicContact CG-CD2 4.18Å; M202-L222 HydrophobicContact SD-CD2 4.32Å; L222-I226 HydrophobicContact CD2-CG2 4.48Å; L222-Q227 HydrophobicContact CB-CG 3.88Å; L222-Q227 PolarHBondContact O-NE2 2.71Å; L222-L232 HydrophobicContact CD1-CD1 3.53Å; L222-L234 HydrophobicContact CD1-CD1 4.02Å
223P96.3Very high95.3Very high29 Ų2951.9 Ų51.919%0.18824%0.243CC..  trans-57.8144.1172.5-24.333.7000112.4L31 Y35 F37 F221 D225 I226 Q227L31-P223 HydrophobicContact CD2-CG 4.32Å; Y35-P223 HydrophobicContact CD1-CB 3.95Å; Y35-P223 HydrophobicContact CD1-CG 3.5Å; Y35-P223 VanDerWaalsContact CD1-CG 3.5Å; Y35-P223 HydrophobicContact CE1-CB 3.47Å; Y35-P223 VanDerWaalsContact CE1-CB 3.47Å; Y35-P223 HydrophobicContact CE1-CG 3.56Å; Y35-P223 HydrophobicContact CG-CG 4.18Å; F37-P223 HydrophobicContact CE2-CG 4.21Å; F221-P223 WeakPolarHBondContact O-CD 3.3Å; P223-D225 PolarHBondContact O-N 3.47Å; P223-I226 HydrophobicContact CB-CG1 4.39Å; P223-I226 HydrophobicContact CG-CD1 4.28Å; P223-I226 HydrophobicContact CG-CG1 4.45Å; P223-I226 PolarHBondContact O-N 2.92Å; P223-Q227 PolarHBondContact O-N 3.16Å; P223-Q227 VanDerWaalsContact O-N 3.1Å
224Y94.8Very high95.2Very high156 Ų15651.6 Ų51.661%0.61223%0.234SC*.Hα-helixtrans-53.8-41.2-179.9176.4-99.6000112.6I226 Q227 K228Y224-I226 VanDerWaalsContact C-N 3.32Å; Y224-I226 PolarHBondContact O-N 3.23Å; Y224-Q227 PolarHBondContact O-N 3.49Å; Y224-Q227 VanDerWaalsContact O-N 3.17Å; Y224-K228 HydrophobicContact CE1-CD 4.08Å; Y224-K228 WeakPolarHBondContact O-CB 3.49Å; Y224-K228 PolarHBondContact O-N 3.36Å
225D96.9Very high95Very high102 Ų10250.4 Ų50.455%0.54523%0.233SC..Hα-helixtrans-65.6-33.8-179.2-67.2-17.6000112.6Y35 P223 K229Y35-D225 WeakPolarHBondContact OH-CB 3.47Å; P223-D225 PolarHBondContact O-N 3.47Å; D225-K229 WeakPolarHBondContact O-CB 3.33Å; D225-K229 PolarHBondContact O-N 2.67Å
226I97.1Very high94.7Very high0 Ų057.5 Ų57.50%027%0.272CS..Hα-helixtrans-67.2-48.7171.3-66.1-168.6000109.8I27 L31 Y35 L222 P223 Y224 K228 K229 Y230I27-I226 HydrophobicContact CG1-CG2 4.22Å; I27-I226 HydrophobicContact CG2-CG2 3.85Å; L31-I226 HydrophobicContact CD2-CD1 3.52Å; L31-I226 HydrophobicContact CG-CD1 3.76Å; Y35-I226 HydrophobicContact CD2-CD1 3.79Å; Y35-I226 HydrophobicContact CD2-CG1 4.26Å; Y35-I226 HydrophobicContact CE1-CG1 4.45Å; Y35-I226 HydrophobicContact CE2-CD1 3.56Å; Y35-I226 HydrophobicContact CE2-CG1 3.51Å; Y35-I226 HydrophobicContact CG-CD1 4.47Å; L222-I226 HydrophobicContact CD2-CG2 4.48Å; P223-I226 HydrophobicContact CB-CG1 4.39Å; P223-I226 HydrophobicContact CG-CD1 4.28Å; P223-I226 HydrophobicContact CG-CG1 4.45Å; P223-I226 PolarHBondContact O-N 2.92Å; Y224-I226 VanDerWaalsContact C-N 3.32Å; Y224-I226 PolarHBondContact O-N 3.23Å; I226-K228 VanDerWaalsContact C-N 3.25Å; I226-K228 PolarHBondContact O-N 3.01Å; I226-K229 PolarHBondContact O-N 3.38Å; I226-Y230 HydrophobicContact CG2-CD2 3.94Å; I226-Y230 HydrophobicContact CG2-CE2 4.37Å; I226-Y230 WeakPolarHBondContact O-CD2 3.31Å; I226-Y230 PolarHBondContact O-N 3.35Å
227Q96.3Very high94.4Very high59 Ų5958.6 Ų58.628%0.27628%0.276SS..Hα-helixtrans-56.9-43.4-179-62.3-177.744.800111.4L222 P223 Y224 E231 L232 L234L222-Q227 HydrophobicContact CB-CG 3.88Å; L222-Q227 PolarHBondContact O-NE2 2.71Å; P223-Q227 PolarHBondContact O-N 3.16Å; P223-Q227 VanDerWaalsContact O-N 3.1Å; Y224-Q227 PolarHBondContact O-N 3.49Å; Y224-Q227 VanDerWaalsContact O-N 3.17Å; Q227-E231 PolarHBondContact O-N 3.41Å; Q227-E231 VanDerWaalsContact O-N 3.1Å; Q227-L232 HydrophobicContact CB-CD1 4.41Å; Q227-L232 HydrophobicContact CG-CD1 4.22Å; Q227-L232 PolarHBondContact O-N 2.96Å; Q227-L234 HydrophobicContact CG-CD1 4.13Å
228K96.3Very high94.1Very high139 Ų13961.8 Ų61.860%0.60430%0.303SS*.Hα-helixtrans-68.9-46.3177-174.7175.5-178.1174.40112.5Y224 I226 Y230 E231Y224-K228 HydrophobicContact CE1-CD 4.08Å; Y224-K228 WeakPolarHBondContact O-CB 3.49Å; Y224-K228 PolarHBondContact O-N 3.36Å; I226-K228 VanDerWaalsContact C-N 3.25Å; I226-K228 PolarHBondContact O-N 3.01Å; K228-Y230 VanDerWaalsContact C-N 3.27Å; K228-Y230 PolarHBondContact O-N 3.26Å; K228-E231 PolarHBondContact O-N 3.02Å; K228-E231 VanDerWaalsContact O-N 3.16Å
229K97.1Very high94.1Very high128 Ų12865 Ų6556%0.55734%0.336SS*.Hα-helixtrans-59.7-38.6-178.7174.1176.8171.3-176.80112.6E30 D225 I226E30-K229 WeakPolarHBondContact OE1-CE 3.33Å; E30-K229 IonicContact OE1-NZ 2.97Å; E30-K229 PolarHBondContact OE1-NZ 3.47Å; E30-K229 IonicContact OE2-NZ 3.14Å; E30-K229 PolarHBondContact OE2-NZ 3.23Å; D225-K229 WeakPolarHBondContact O-CB 3.33Å; D225-K229 PolarHBondContact O-N 2.67Å; I226-K229 PolarHBondContact O-N 3.38Å
230Y96.5Very high94.4Very high24 Ų2471.5 Ų71.59%0.09438%0.375CS..THydrogen-bonded Turntrans-95.53.2-179.5-72.7-90.5000113.1R17 A26 I27 E30 I226 K228 L232R17-Y230 WeakPolarHBondContact CD-O 2.86Å; R17-Y230 PolarHBondContact NE-O 2.8Å; R17-Y230 PolarHBondContact NH1-O 2.55Å; A26-Y230 HydrophobicContact CB-CE1 4.24Å; A26-Y230 VanDerWaalsContact CB-OH 3.31Å; A26-Y230 WeakPolarHBondContact CB-OH 3.49Å; I27-Y230 HydrophobicContact CD1-CD1 3.89Å; I27-Y230 HydrophobicContact CD1-CD2 4.16Å; I27-Y230 HydrophobicContact CD1-CE1 4.3Å; I27-Y230 HydrophobicContact CD1-CG 3.8Å; I27-Y230 HydrophobicContact CG1-CD1 3.74Å; I27-Y230 HydrophobicContact CG1-CD2 3.62Å; I27-Y230 HydrophobicContact CG1-CE1 3.69Å; I27-Y230 HydrophobicContact CG1-CE2 3.58Å; I27-Y230 HydrophobicContact CG1-CG 3.69Å; E30-Y230 PolarHBondContact OE1-OH 2.74Å; I226-Y230 HydrophobicContact CG2-CD2 3.94Å; I226-Y230 HydrophobicContact CG2-CE2 4.37Å; I226-Y230 WeakPolarHBondContact O-CD2 3.31Å; I226-Y230 PolarHBondContact O-N 3.35Å; K228-Y230 VanDerWaalsContact C-N 3.27Å; K228-Y230 PolarHBondContact O-N 3.26Å; Y230-L232 VanDerWaalsContact C-N 3.26Å; Y230-L232 PolarHBondContact O-N 3.26Å
231E96.3Very high94.4Very high113 Ų11369.4 Ų69.453%0.52837%0.372SS..THydrogen-bonded Turntrans49.848.3-179.3-58167.2167.300111.2R17 Q227 K228 N233R17-E231 VanDerWaalsContact CB-O 3.27Å; R17-E231 WeakPolarHBondContact CB-O 3.35Å; R17-E231 VanDerWaalsContact CD-O 3.22Å; R17-E231 WeakPolarHBondContact CD-O 3.24Å; R17-E231 IonicContact NH1-OE2 2.77Å; R17-E231 PolarHBondContact NH1-OE2 2.63Å; Q227-E231 PolarHBondContact O-N 3.41Å; Q227-E231 VanDerWaalsContact O-N 3.1Å; K228-E231 PolarHBondContact O-N 3.02Å; K228-E231 VanDerWaalsContact O-N 3.16Å; E231-N233 VanDerWaalsContact C-N 3.25Å; E231-N233 PolarHBondContact O-N 2.9Å; E231-N233 PolarHBondContact O-ND2 2.98Å
232L95.1Very high94.2Very high0 Ų069.9 Ų69.90%038%0.379CS..  trans-67.8-29.5-171.6-63.4-171.9000112.7L16 R17 L19 I27 A203 L222 Q227 Y230 L234L16-L232 WeakPolarHBondContact CD1-O 3.25Å; R17-L232 PolarHBondContact N-O 3.46Å; R17-L232 VanDerWaalsContact N-O 3.1Å; L19-L232 HydrophobicContact CD2-CD2 3.65Å; I27-L232 HydrophobicContact CD1-CD2 4.06Å; A203-L232 HydrophobicContact CB-CD2 4.38Å; L222-L232 HydrophobicContact CD1-CD1 3.53Å; Q227-L232 HydrophobicContact CB-CD1 4.41Å; Q227-L232 HydrophobicContact CG-CD1 4.22Å; Q227-L232 PolarHBondContact O-N 2.96Å; Y230-L232 VanDerWaalsContact C-N 3.26Å; Y230-L232 PolarHBondContact O-N 3.26Å; L232-L234 HydrophobicContact CB-CD1 4.47Å; L232-L234 HydrophobicContact CB-CD2 3.82Å; L232-L234 HydrophobicContact CB-CG 3.76Å; L232-L234 HydrophobicContact CD1-CD1 4.28Å; L232-L234 HydrophobicContact CD1-CD2 4.49Å; L232-L234 HydrophobicContact CD1-CG 4.43Å; L232-L234 PolarHBondContact O-N 3.14Å
233N94.4Very high94.2Very high54 Ų5470 Ų7029%0.28938%0.38SS..  trans50.345178.8-59-23.2000111.8E14 P15 E231E14-N233 HydrophobicContact CB-CB 4.28Å; E14-N233 WeakPolarHBondContact CB-ND2 3.3Å; E14-N233 PolarHBondContact OE2-ND2 3.22Å; E14-N233 PolarHBondContact OE2-OD1 3.02Å; P15-N233 WeakPolarHBondContact O-CB 3.34Å; P15-N233 PolarHBondContact O-ND2 3.32Å; E231-N233 VanDerWaalsContact C-N 3.25Å; E231-N233 PolarHBondContact O-N 2.9Å; E231-N233 PolarHBondContact O-ND2 2.98Å
234L92.9Very high94.1Very high26 Ų2669.5 Ų69.514%0.13638%0.375CS..PPolyproline II helixtrans-66138-178.3-57.9-176.3000109.7L16 A203 L217 L222 Q227 L232L16-L234 HydrophobicContact CD1-CD2 3.98Å; A203-L234 HydrophobicContact CB-CD2 4.11Å; L217-L234 HydrophobicContact CD2-CD2 4.03Å; L222-L234 HydrophobicContact CD1-CD1 4.02Å; Q227-L234 HydrophobicContact CG-CD1 4.13Å; L232-L234 HydrophobicContact CB-CD1 4.47Å; L232-L234 HydrophobicContact CB-CD2 3.82Å; L232-L234 HydrophobicContact CB-CG 3.76Å; L232-L234 HydrophobicContact CD1-CD1 4.28Å; L232-L234 HydrophobicContact CD1-CD2 4.49Å; L232-L234 HydrophobicContact CD1-CG 4.43Å; L232-L234 PolarHBondContact O-N 3.14Å
235P92.7Very high94.2Very high50 Ų5067 Ų6733%0.32537%0.369SS..PPolyproline II helixtrans-64.7155.4173.7-16.129.7000111.3Y237 L244 L246P235-Y237 PolarHBondContact O-N 3.07Å; P235-L244 HydrophobicContact CB-CD1 4.46Å; P235-L244 HydrophobicContact CB-CD2 3.87Å; P235-L244 HydrophobicContact CG-CD1 4.27Å; P235-L244 HydrophobicContact CG-CD2 4.3Å; P235-L246 HydrophobicContact CG-CD2 3.96Å
236D91.1Very high94Very high160 Ų16066.8 Ų66.886%0.85637%0.368SS*.PPolyproline II helixtrans-67.6126.5175.6-75.3-40.2000111.3
237Y92.1Very high93.8Very high24 Ų2470.1 Ų70.19%0.09439%0.386CS..PPolyproline II helixtrans-78.6133.2171.2-66.5-101.5000110L217 R220 P235 G239 L244L217-Y237 WeakPolarHBondContact CG-OH 3.44Å; R220-Y237 HydrophobicContact CB-CD1 3.98Å; R220-Y237 HydrophobicContact CB-CD2 4.2Å; R220-Y237 HydrophobicContact CB-CE1 3.77Å; R220-Y237 HydrophobicContact CB-CE2 4.01Å; R220-Y237 HydrophobicContact CB-CG 4.19Å; R220-Y237 VanDerWaalsContact CD-CG 3.46Å; R220-Y237 HydrophobicContact CG-CD1 4.16Å; R220-Y237 HydrophobicContact CG-CD2 3.62Å; R220-Y237 HydrophobicContact CG-CE1 4.26Å; R220-Y237 HydrophobicContact CG-CE2 3.75Å; R220-Y237 HydrophobicContact CG-CG 3.83Å; R220-Y237 VanDerWaalsContact CZ-CB 3.46Å; P235-Y237 PolarHBondContact O-N 3.07Å; Y237-G239 PolarHBondContact O-N 3.34Å; Y237-L244 HydrophobicContact CD1-CB 4.31Å; Y237-L244 HydrophobicContact CD1-CD2 3.89Å; Y237-L244 HydrophobicContact CD1-CG 4.3Å; Y237-L244 HydrophobicContact CD2-CD2 4.11Å; Y237-L244 HydrophobicContact CE1-CD2 3.94Å; Y237-L244 HydrophobicContact CE1-CG 4.15Å; Y237-L244 HydrophobicContact CE2-CD2 4.15Å; Y237-L244 HydrophobicContact CG-CD2 3.99Å
238A92.1Very high93.7Very high68 Ų6870.7 Ų70.756%0.56239%0.392SS*.PPolyproline II helixtrans-66.3124179.200000111.8T240 D241A238-T240 PolarHBondContact O-N 3.29Å; A238-T240 VanDerWaalsContact O-N 3.11Å; A238-D241 VanDerWaalsContact O-CB 3.22Å; A238-D241 WeakPolarHBondContact O-CB 3.41Å; A238-D241 PolarHBondContact O-N 3.01Å
239G93.1Very high93.6Very high67 Ų6766.9 Ų66.969%0.69138%0.38SS*.THydrogen-bonded Turntrans52.6-118.5173.600000113R220 Y237R220-G239 PolarHBondContact NH1-O 3.3Å; Y237-G239 PolarHBondContact O-N 3.34Å
240T91Very high93.4Very high141 Ų14163.3 Ų63.387%0.86537%0.37SS*.THydrogen-bonded Turntrans-100.710.6178.456.20000113.5A238A238-T240 PolarHBondContact O-N 3.29Å; A238-T240 VanDerWaalsContact O-N 3.11Å
241D92.1Very high93.2Very high72 Ų7265.8 Ų65.839%0.38539%0.387SS..  trans-62.9142.5178.8-71.40.5000110.1R220 A238R220-D241 WeakPolarHBondContact CD-O 3.37Å; R220-D241 PolarHBondContact NH1-O 2.81Å; A238-D241 VanDerWaalsContact O-CB 3.22Å; A238-D241 WeakPolarHBondContact O-CB 3.41Å; A238-D241 PolarHBondContact O-N 3.01Å
242C89.9Confident92.9Very high44 Ų4462.6 Ų62.630%0.29738%0.377SS..SBendtrans-107.36.2177.4650000113.4L52 G219 R220L52-C242 WeakPolarHBondContact CD1-SG 3.5Å; G219-C242 PolarHBondContact N-O 2.97Å; G219-C242 VanDerWaalsContact N-O 3.1Å; R220-C242 HydrophobicContact CB-CB 4.34Å; R220-C242 PolarHBondContact N-O 2.97Å
243L93.8Very high92.8Very high13 Ų1367.1 Ų67.17%0.06840%0.404CS..EExtended strand (participates in β ladder)trans-146152.9175.769.7101.5000110.7L52 A53 K56 F216 L217 A218L52-L243 HydrophobicContact CB-CD2 3.4Å; A53-L243 HydrophobicContact CB-CD2 4.38Å; K56-L243 HydrophobicContact CD-CD1 3.69Å; F216-L243 HydrophobicContact CD1-CD1 3.61Å; F216-L243 HydrophobicContact CE1-CD1 4.01Å; L217-L243 CarbonylContact O-C 3.54Å; L217-L243 WeakPolarHBondContact O-CA 3.23Å; A218-L243 HydrophobicContact CB-CB 4.36Å
244L94.8Very high92.7Very high19 Ų1968.1 Ų68.110%0.09941%0.413CS..EExtended strand (participates in β ladder)trans-138.415717264.485.2000110.1F216 L217 P235 Y237 L246F216-L244 CarbonylContact C-O 3.48Å; F216-L244 VanDerWaalsContact CA-O 3.26Å; F216-L244 WeakPolarHBondContact CA-O 3.32Å; L217-L244 HydrophobicContact CB-CD1 3.97Å; L217-L244 HydrophobicContact CB-CG 4.11Å; L217-L244 HydrophobicContact CD2-CD2 4.46Å; L217-L244 PolarHBondContact N-O 3.46Å; L217-L244 PolarHBondContact O-N 2.77Å; P235-L244 HydrophobicContact CB-CD1 4.46Å; P235-L244 HydrophobicContact CB-CD2 3.87Å; P235-L244 HydrophobicContact CG-CD1 4.27Å; P235-L244 HydrophobicContact CG-CD2 4.3Å; Y237-L244 HydrophobicContact CD1-CB 4.31Å; Y237-L244 HydrophobicContact CD1-CD2 3.89Å; Y237-L244 HydrophobicContact CD1-CG 4.3Å; Y237-L244 HydrophobicContact CD2-CD2 4.11Å; Y237-L244 HydrophobicContact CE1-CD2 3.94Å; Y237-L244 HydrophobicContact CE1-CG 4.15Å; Y237-L244 HydrophobicContact CE2-CD2 4.15Å; Y237-L244 HydrophobicContact CG-CD2 3.99Å; L244-L246 HydrophobicContact CD1-CD2 3.48Å; L244-L246 VanDerWaalsContact CD1-CD2 3.48Å; L244-L246 HydrophobicContact CD1-CG 3.94Å
245E95.7Very high92.7Very high103 Ų10371.6 Ų71.648%0.48144%0.436SS..EExtended strand (participates in β ladder)trans-94.3131.2172.1-166.8170.4172.200108.1H215 F216H215-E245 CarbonylContact O-C 3.39Å; H215-E245 WeakPolarHBondContact O-CA 3.39Å; F216-E245 HydrophobicContact CD1-CB 4.07Å; F216-E245 HydrophobicContact CD1-CG 4.48Å; F216-E245 HydrophobicContact CE1-CB 3.78Å; F216-E245 HydrophobicContact CE1-CG 4.06Å; F216-E245 HydrophobicContact CZ-CB 4.43Å; F216-E245 HydrophobicContact CZ-CG 4.23Å
246L93.5Very high92.7Very high98 Ų9873.5 Ų73.551%0.51345%0.447SS..  trans-89.10-177.2-69.2174.6000112.3L16 P204 H215 L217 P235 L244L16-L246 HydrophobicContact CD2-CD1 3.99Å; L16-L246 HydrophobicContact CD2-CD2 3.52Å; L16-L246 HydrophobicContact CD2-CG 4.41Å; P204-L246 HydrophobicContact CG-CD1 3.66Å; H215-L246 HydrophobicContact CB-CB 4.18Å; H215-L246 PolarHBondContact O-N 2.61Å; L217-L246 HydrophobicContact CB-CD1 4.12Å; L217-L246 HydrophobicContact CB-CD2 4.36Å; L217-L246 HydrophobicContact CB-CG 4.14Å; P235-L246 HydrophobicContact CG-CD2 3.96Å; L244-L246 HydrophobicContact CD1-CD2 3.48Å; L244-L246 VanDerWaalsContact CD1-CD2 3.48Å; L244-L246 HydrophobicContact CD1-CG 3.94Å

Retrieved 246 of 246 residues in 544 ms (Link to these results)

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