A0A087YFU9_POEFO Loading...

Epoxide hydrolase 4

AlphaFold DB (A0A3B3UYL3), UniProt , Accession A0A087YFU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 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
1M70.9Confident83.8Confident208 Ų208119.6 Ų119.6100%1.02562%0.616SS**  0-56.30-155.1174.6-81.900112.4R3 V4 L5M1-R3 PolarHBondContact O-N 3.47Å; M1-V4 PolarHBondContact O-N 3.26Å; M1-V4 VanDerWaalsContact O-N 3.17Å; M1-L5 PolarHBondContact O-N 3.13Å; M1-L5 VanDerWaalsContact O-N 3.16Å
2A76.7Confident84.3Confident83 Ų83117.4 Ų117.469%0.68661%0.605SS**Hα-helixtrans-56.3-40.5-179.500000115.5V4 L5 N6A2-V4 VanDerWaalsContact C-N 3.35Å; A2-V4 PolarHBondContact O-N 2.76Å; A2-L5 PolarHBondContact O-N 2.98Å; A2-N6 WeakPolarHBondContact O-CB 3.17Å; A2-N6 PolarHBondContact O-N 2.78Å
3R80.5Confident84.6Confident209 Ų209114.8 Ų114.879%0.78959%0.592SS**Hα-helixtrans-65.3-34.8178.2-166.6175-177.21790.3113.5M1 N7M1-R3 PolarHBondContact O-N 3.47Å; R3-N7 WeakPolarHBondContact O-CB 3.45Å; R3-N7 VanDerWaalsContact O-CG 3.26Å; R3-N7 PolarHBondContact O-N 2.79Å; R3-N7 VanDerWaalsContact O-N 3.09Å
4V83.6Confident84.9Confident105 Ų105119.1 Ų119.164%0.63660%0.596SS**Hα-helixtrans-72.2-42.7177.7177.50000110.1M1 A2 N6 N7 L8M1-V4 PolarHBondContact O-N 3.26Å; M1-V4 VanDerWaalsContact O-N 3.17Å; A2-V4 VanDerWaalsContact C-N 3.35Å; A2-V4 PolarHBondContact O-N 2.76Å; V4-N6 VanDerWaalsContact C-N 3.34Å; V4-N6 PolarHBondContact O-N 3.2Å; V4-N7 PolarHBondContact O-N 3.26Å; V4-L8 WeakPolarHBondContact O-CB 3.13Å; V4-L8 PolarHBondContact O-N 2.84Å
5L82.6Confident85.1Confident126 Ų126115.7 Ų115.766%0.6658%0.581SS**Hα-helixtrans-61.8-42.1176.1-147.589.1000111.7M1 A2 L8 L9M1-L5 PolarHBondContact O-N 3.13Å; M1-L5 VanDerWaalsContact O-N 3.16Å; A2-L5 PolarHBondContact O-N 2.98Å; L5-L8 PolarHBondContact O-N 3.03Å; L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 PolarHBondContact O-N 3.35Å
6N85.1Confident85.2Confident92 Ų92111.4 Ų111.449%0.49257%0.569SS.*Hα-helixtrans-67.1-41.8178.3-159.813.3000112.1A2 V4 L8 L9 L10A2-N6 WeakPolarHBondContact O-CB 3.17Å; A2-N6 PolarHBondContact O-N 2.78Å; V4-N6 VanDerWaalsContact C-N 3.34Å; V4-N6 PolarHBondContact O-N 3.2Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-L8 PolarHBondContact O-N 3.3Å; N6-L9 PolarHBondContact O-N 2.98Å; N6-L10 WeakPolarHBondContact O-CB 3.33Å; N6-L10 WeakPolarHBondContact O-CG 3.33Å; N6-L10 PolarHBondContact O-N 3.11Å
7N87.9Confident85.1Confident96 Ų96110.7 Ų110.751%0.51357%0.566SS.*Hα-helixtrans-63.5-39.4174.8-75.5-10.7000112.3R3 V4 F11R3-N7 WeakPolarHBondContact O-CB 3.45Å; R3-N7 VanDerWaalsContact O-CG 3.26Å; R3-N7 PolarHBondContact O-N 2.79Å; R3-N7 VanDerWaalsContact O-N 3.09Å; V4-N7 PolarHBondContact O-N 3.26Å; N7-F11 VanDerWaalsContact O-CB 3.31Å; N7-F11 WeakPolarHBondContact O-CB 3.5Å; N7-F11 PolarHBondContact O-N 2.7Å
8L87.5Confident85.2Confident98 Ų98112.4 Ų112.451%0.51357%0.568SS.*Hα-helixtrans-65.6-43.8175.8-17468.1000111.3V4 L5 N6 F11 L12V4-L8 WeakPolarHBondContact O-CB 3.13Å; V4-L8 PolarHBondContact O-N 2.84Å; L5-L8 PolarHBondContact O-N 3.03Å; N6-L8 VanDerWaalsContact C-N 3.34Å; N6-L8 PolarHBondContact O-N 3.3Å; L8-F11 WeakPolarHBondContact O-CB 3.17Å; L8-F11 PolarHBondContact O-N 2.93Å; L8-L12 HydrophobicContact CG-CD1 4.34Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.05Å
9L87.1Confident85.4Confident98 Ų98112.2 Ų112.251%0.51357%0.568SS.*Hα-helixtrans-61.4-47.1176.3-176.865.3000111.5L5 N6 F11 L12 I13L5-L9 WeakPolarHBondContact O-CB 3.36Å; L5-L9 PolarHBondContact O-N 3.35Å; N6-L9 PolarHBondContact O-N 2.98Å; L9-F11 VanDerWaalsContact C-N 3.3Å; L9-F11 PolarHBondContact O-N 2.78Å; L9-L12 PolarHBondContact O-N 3.48Å; L9-I13 HydrophobicContact CD1-CD1 4.33Å; L9-I13 HydrophobicContact CG-CD1 3.99Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.01Å
10L88.2Confident85.3Confident76 Ų76116.2 Ų116.240%0.39858%0.576SS.*Hα-helixtrans-61.2-39.3175.6-73.4171.7000112N6 R14N6-L10 WeakPolarHBondContact O-CB 3.33Å; N6-L10 WeakPolarHBondContact O-CG 3.33Å; N6-L10 PolarHBondContact O-N 3.11Å; L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 VanDerWaalsContact O-CG 3.24Å; L10-R14 WeakPolarHBondContact O-CG 3.48Å; L10-R14 PolarHBondContact O-N 2.92Å
11F91.5Very high85.2Confident125 Ų125114.4 Ų114.455%0.54857%0.571SS.*Hα-helixtrans-62.7-48174.7174-97.8000111.6N7 L8 L9 I13 R14 L15N7-F11 VanDerWaalsContact O-CB 3.31Å; N7-F11 WeakPolarHBondContact O-CB 3.5Å; N7-F11 PolarHBondContact O-N 2.7Å; L8-F11 WeakPolarHBondContact O-CB 3.17Å; L8-F11 PolarHBondContact O-N 2.93Å; L9-F11 VanDerWaalsContact C-N 3.3Å; L9-F11 PolarHBondContact O-N 2.78Å; F11-I13 PolarHBondContact O-N 2.91Å; F11-R14 PolarHBondContact O-N 3.28Å; F11-L15 HydrophobicContact CE1-CD2 4.1Å; F11-L15 HydrophobicContact CZ-CD2 4.34Å; F11-L15 WeakPolarHBondContact O-CB 3.44Å; F11-L15 PolarHBondContact O-N 3.24Å
12L89.8Confident86.1Confident93 Ų93113.7 Ų113.749%0.48756%0.557SS.*Hα-helixtrans-62.1-41.4178.2-70.5172.8000112L8 L9 L15 A16L8-L12 HydrophobicContact CG-CD1 4.34Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.05Å; L9-L12 PolarHBondContact O-N 3.48Å; L12-L15 PolarHBondContact O-N 2.53Å; L12-A16 VanDerWaalsContact O-CB 3.28Å; L12-A16 WeakPolarHBondContact O-CB 3.32Å; L12-A16 PolarHBondContact O-N 2.86Å
13I88.9Confident86.6Confident84 Ų84111.3 Ų111.343%0.43154%0.54SS..Hα-helixtrans-61.9-48.3175-69166.6000110.5L9 F11 L15 A16 L17L9-I13 HydrophobicContact CD1-CD1 4.33Å; L9-I13 HydrophobicContact CG-CD1 3.99Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.01Å; F11-I13 PolarHBondContact O-N 2.91Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.94Å; I13-A16 PolarHBondContact O-N 2.87Å; I13-L17 HydrophobicContact CG2-CD1 4.01Å; I13-L17 WeakPolarHBondContact O-CB 3.44Å; I13-L17 VanDerWaalsContact O-CG 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.33Å; I13-L17 PolarHBondContact O-N 2.88Å
14R88.8Confident86.8Confident174 Ų174105.1 Ų105.166%0.65752%0.518SS*.Hα-helixtrans-62.5-40.6178.1-73.9174.1-179-167.30.7112.1L10 F11 L17 K18L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 VanDerWaalsContact O-CG 3.24Å; L10-R14 WeakPolarHBondContact O-CG 3.48Å; L10-R14 PolarHBondContact O-N 2.92Å; F11-R14 PolarHBondContact O-N 3.28Å; R14-L17 PolarHBondContact O-N 2.94Å; R14-K18 WeakPolarHBondContact O-CG 3.49Å; R14-K18 PolarHBondContact O-N 2.89Å
15L87.3Confident87Confident69 Ų69103.6 Ų103.636%0.36150%0.5SS..Hα-helixtrans-65.6-46.2177.4-178.661.2000111F11 L12 I13 L17 K18 I19F11-L15 HydrophobicContact CE1-CD2 4.1Å; F11-L15 HydrophobicContact CZ-CD2 4.34Å; F11-L15 WeakPolarHBondContact O-CB 3.44Å; F11-L15 PolarHBondContact O-N 3.24Å; L12-L15 PolarHBondContact O-N 2.53Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.94Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.4Å; L15-K18 PolarHBondContact O-N 2.93Å; L15-I19 HydrophobicContact CD1-CD1 4.21Å; L15-I19 HydrophobicContact CD1-CG1 4.42Å; L15-I19 HydrophobicContact CG-CD1 3.98Å; L15-I19 WeakPolarHBondContact O-CG1 3.31Å; L15-I19 PolarHBondContact O-N 3.36Å
16A86.1Confident87.3Confident47 Ų47101 Ų10139%0.38849%0.492SS..Hα-helixtrans-60.4-41.8176.200000112L12 I13 I19 R20L12-A16 VanDerWaalsContact O-CB 3.28Å; L12-A16 WeakPolarHBondContact O-CB 3.32Å; L12-A16 PolarHBondContact O-N 2.86Å; I13-A16 PolarHBondContact O-N 2.87Å; A16-I19 PolarHBondContact O-N 3.38Å; A16-R20 WeakPolarHBondContact O-CG 3.38Å; A16-R20 PolarHBondContact O-N 3.01Å
17L84.4Confident87.5Confident99 Ų99103 Ų10352%0.51850%0.503SS..Hα-helixtrans-61.9-46.2173.9-73.2170.1000111.6I13 R14 L15 I19 R20 V21I13-L17 HydrophobicContact CG2-CD1 4.01Å; I13-L17 WeakPolarHBondContact O-CB 3.44Å; I13-L17 VanDerWaalsContact O-CG 3.29Å; I13-L17 WeakPolarHBondContact O-CG 3.33Å; I13-L17 PolarHBondContact O-N 2.88Å; R14-L17 PolarHBondContact O-N 2.94Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.4Å; L17-I19 PolarHBondContact O-N 2.92Å; L17-R20 PolarHBondContact O-N 2.78Å; L17-V21 WeakPolarHBondContact O-CG2 3.46Å; L17-V21 PolarHBondContact O-N 2.88Å
18K87.3Confident87.5Confident141 Ų14198.8 Ų98.861%0.61348%0.48SS*.Hα-helixtrans-59-46.6176.1-77.5-177.8177.3-171.90111.9R14 L15 R20 V21 W22R14-K18 WeakPolarHBondContact O-CG 3.49Å; R14-K18 PolarHBondContact O-N 2.89Å; L15-K18 PolarHBondContact O-N 2.93Å; K18-R20 VanDerWaalsContact C-N 3.33Å; K18-R20 PolarHBondContact O-N 3.34Å; K18-V21 PolarHBondContact O-N 3.46Å; K18-W22 WeakPolarHBondContact O-CB 3.29Å; K18-W22 VanDerWaalsContact O-CD1 3.29Å; K18-W22 PolarHBondContact O-N 3.16Å
19I87.8Confident87.6Confident109 Ų109101.2 Ų101.256%0.55948%0.484SS*.Hα-helixtrans-60.4-43.5178.4-68.8167.2000110.7L15 A16 L17 W22 G23L15-I19 HydrophobicContact CD1-CD1 4.21Å; L15-I19 HydrophobicContact CD1-CG1 4.42Å; L15-I19 HydrophobicContact CG-CD1 3.98Å; L15-I19 WeakPolarHBondContact O-CG1 3.31Å; L15-I19 PolarHBondContact O-N 3.36Å; A16-I19 PolarHBondContact O-N 3.38Å; L17-I19 PolarHBondContact O-N 2.92Å; I19-W22 PolarHBondContact O-N 2.93Å; I19-G23 PolarHBondContact O-N 3.16Å
20R84.1Confident87.8Confident192 Ų19298.7 Ų98.773%0.72548%0.481SS*.Hα-helixtrans-62.2-45.8176.9-75.3178.8179.5-171.70.3112.4A16 L17 K18 G23 Y24A16-R20 WeakPolarHBondContact O-CG 3.38Å; A16-R20 PolarHBondContact O-N 3.01Å; L17-R20 PolarHBondContact O-N 2.78Å; K18-R20 VanDerWaalsContact C-N 3.33Å; K18-R20 PolarHBondContact O-N 3.34Å; R20-G23 PolarHBondContact O-N 3.26Å; R20-Y24 WeakPolarHBondContact O-CB 3.38Å; R20-Y24 PolarHBondContact O-N 3.06Å
21V83.7Confident87.9Confident78 Ų7897 Ų9747%0.47347%0.47SS..Hα-helixtrans-62.2-45.4177.4171.40000110.7L17 K18 Y24 W25L17-V21 WeakPolarHBondContact O-CG2 3.46Å; L17-V21 PolarHBondContact O-N 2.88Å; K18-V21 PolarHBondContact O-N 3.46Å; V21-Y24 PolarHBondContact O-N 2.99Å; V21-W25 VanDerWaalsContact O-CD1 3.23Å; V21-W25 PolarHBondContact O-N 2.66Å; V21-W25 VanDerWaalsContact O-N 3.07Å
22W88.9Confident87.9Confident193 Ų19391.4 Ų91.473%0.73145%0.446SS*.Hα-helixtrans-60.4-46.8175.9-92.182.1000112.3K18 I19 Y24 W25 S26K18-W22 WeakPolarHBondContact O-CB 3.29Å; K18-W22 VanDerWaalsContact O-CD1 3.29Å; K18-W22 PolarHBondContact O-N 3.16Å; I19-W22 PolarHBondContact O-N 2.93Å; W22-Y24 PolarHBondContact O-N 2.89Å; W22-W25 PolarHBondContact O-N 3Å; W22-S26 VanDerWaalsContact O-CB 3.32Å; W22-S26 WeakPolarHBondContact O-CB 3.24Å; W22-S26 PolarHBondContact O-N 3.45Å; W22-S26 PolarHBondContact O-OG 2.99Å
23G87.3Confident87.9Confident33 Ų3389.5 Ų89.534%0.3444%0.444SS..Hα-helixtrans-60.6-44.217700000112.4I19 R20 S26 L27I19-G23 PolarHBondContact O-N 3.16Å; R20-G23 PolarHBondContact O-N 3.26Å; G23-S26 PolarHBondContact O-N 3.41Å; G23-L27 WeakPolarHBondContact O-CG 3.21Å; G23-L27 PolarHBondContact O-N 3.24Å
24Y85.4Confident88.1Confident80 Ų8090.6 Ų90.631%0.31445%0.45SS..Hα-helixtrans-57.5-53.3177.2175.6-103.5000112.2R20 V21 W22 S26 L27 I28 F289R20-Y24 WeakPolarHBondContact O-CB 3.38Å; R20-Y24 PolarHBondContact O-N 3.06Å; V21-Y24 PolarHBondContact O-N 2.99Å; W22-Y24 PolarHBondContact O-N 2.89Å; Y24-S26 VanDerWaalsContact C-N 3.33Å; Y24-S26 PolarHBondContact O-N 2.93Å; Y24-L27 PolarHBondContact O-N 3.12Å; Y24-I28 HydrophobicContact CD1-CD1 3.77Å; Y24-I28 HydrophobicContact CD2-CD1 4.39Å; Y24-I28 HydrophobicContact CE1-CD1 3.24Å; Y24-I28 HydrophobicContact CE2-CD1 3.93Å; Y24-I28 HydrophobicContact CG-CD1 4.33Å; Y24-I28 PolarHBondContact O-N 3.15Å; Y24-I28 VanDerWaalsContact O-N 3.13Å; Y24-F289 PolarHBondContact OH-O 3.14Å; Y24-F289 VanDerWaalsContact OH-O 3.1Å
25W87.9Confident88.2Confident73 Ų7383 Ų8328%0.27742%0.423SS..Hα-helixtrans-66.9-34.7179.4-75.3113.3000112.6V21 W22 L27 I28 Y29 F289V21-W25 VanDerWaalsContact O-CD1 3.23Å; V21-W25 PolarHBondContact O-N 2.66Å; V21-W25 VanDerWaalsContact O-N 3.07Å; W22-W25 PolarHBondContact O-N 3Å; W25-L27 VanDerWaalsContact C-N 3.31Å; W25-L27 PolarHBondContact O-N 3.49Å; W25-I28 HydrophobicContact CE3-CB 4.44Å; W25-I28 HydrophobicContact CE3-CD1 3.93Å; W25-I28 HydrophobicContact CE3-CG2 4.47Å; W25-I28 HydrophobicContact CZ3-CD1 4.05Å; W25-I28 PolarHBondContact O-N 3.03Å; W25-Y29 HydrophobicContact CB-CD2 4.17Å; W25-Y29 HydrophobicContact CB-CE2 3.96Å; W25-Y29 HydrophobicContact CD2-CE2 4.39Å; W25-Y29 AromaticContact CE3-CE2 3.91Å; W25-Y29 HydrophobicContact CE3-CE2 3.91Å; W25-Y29 AromaticContact CE3-CZ 3.96Å; W25-Y29 HydrophobicContact CG-CE2 4.45Å; W25-Y29 WeakPolarHBondContact O-CB 3.42Å; W25-Y29 WeakPolarHBondContact O-CD2 3.27Å; W25-Y29 PolarHBondContact O-N 2.71Å; W25-F289 HydrophobicContact CH2-CB 4.19Å; W25-F289 HydrophobicContact CZ3-CB 4.3Å
26S89.3Confident88.3Confident70 Ų7081 Ų8149%0.4941%0.414SS..Hα-helixtrans-62.3-39.6175.9-57.20000111.9W22 G23 Y24 G30W22-S26 VanDerWaalsContact O-CB 3.32Å; W22-S26 WeakPolarHBondContact O-CB 3.24Å; W22-S26 PolarHBondContact O-N 3.45Å; W22-S26 PolarHBondContact O-OG 2.99Å; G23-S26 PolarHBondContact O-N 3.41Å; Y24-S26 VanDerWaalsContact C-N 3.33Å; Y24-S26 PolarHBondContact O-N 2.93Å; S26-G30 PolarHBondContact O-N 2.93Å
27L88Confident88.6Confident135 Ų13582.4 Ų82.471%0.70742%0.418SS*.Hα-helixtrans-65.6-44.7175.1-71.6170.3000111.8G23 Y24 W25 G30 Y31G23-L27 WeakPolarHBondContact O-CG 3.21Å; G23-L27 PolarHBondContact O-N 3.24Å; Y24-L27 PolarHBondContact O-N 3.12Å; W25-L27 VanDerWaalsContact C-N 3.31Å; W25-L27 PolarHBondContact O-N 3.49Å; L27-G30 PolarHBondContact O-N 2.8Å; L27-Y31 PolarHBondContact O-N 2.91Å
28I87.6Confident89Confident8 Ų880 Ų804%0.04141%0.412CS..Hα-helixtrans-59.8-55.2177.2-69.4167.6000110.2Y24 W25 G30 Y31 C32 F222 F289Y24-I28 HydrophobicContact CD1-CD1 3.77Å; Y24-I28 HydrophobicContact CD2-CD1 4.39Å; Y24-I28 HydrophobicContact CE1-CD1 3.24Å; Y24-I28 HydrophobicContact CE2-CD1 3.93Å; Y24-I28 HydrophobicContact CG-CD1 4.33Å; Y24-I28 PolarHBondContact O-N 3.15Å; Y24-I28 VanDerWaalsContact O-N 3.13Å; W25-I28 HydrophobicContact CE3-CB 4.44Å; W25-I28 HydrophobicContact CE3-CD1 3.93Å; W25-I28 HydrophobicContact CE3-CG2 4.47Å; W25-I28 HydrophobicContact CZ3-CD1 4.05Å; W25-I28 PolarHBondContact O-N 3.03Å; I28-G30 VanDerWaalsContact C-N 3.3Å; I28-G30 PolarHBondContact O-N 3.26Å; I28-Y31 PolarHBondContact O-N 3.16Å; I28-Y31 VanDerWaalsContact O-N 3.14Å; I28-C32 PolarHBondContact O-N 2.86Å; I28-C32 PolarHBondContact O-SG 3.48Å; I28-F222 HydrophobicContact CG1-CE1 4.28Å; I28-F222 HydrophobicContact CG2-CD1 4.28Å; I28-F222 HydrophobicContact CG2-CE1 4.44Å; I28-F289 HydrophobicContact CD1-CB 3.79Å; I28-F289 HydrophobicContact CD1-CD1 3.93Å; I28-F289 HydrophobicContact CD1-CD2 4.33Å; I28-F289 HydrophobicContact CD1-CG 3.76Å; I28-F289 HydrophobicContact CG1-CD1 4.37Å; I28-F289 HydrophobicContact CG1-CG 4.41Å; I28-F289 HydrophobicContact CG2-CD2 3.95Å; I28-F289 HydrophobicContact CG2-CE2 4.07Å; I28-F289 HydrophobicContact CG2-CG 4.44Å
29Y89.8Confident89.2Confident149 Ų14973.8 Ų73.858%0.58439%0.387SS*.Hα-helixtrans-63.9-36-178.1-68.4-54000112.3W25 Y31 C32 A33W25-Y29 HydrophobicContact CB-CD2 4.17Å; W25-Y29 HydrophobicContact CB-CE2 3.96Å; W25-Y29 HydrophobicContact CD2-CE2 4.39Å; W25-Y29 AromaticContact CE3-CE2 3.91Å; W25-Y29 HydrophobicContact CE3-CE2 3.91Å; W25-Y29 AromaticContact CE3-CZ 3.96Å; W25-Y29 HydrophobicContact CG-CE2 4.45Å; W25-Y29 WeakPolarHBondContact O-CB 3.42Å; W25-Y29 WeakPolarHBondContact O-CD2 3.27Å; W25-Y29 PolarHBondContact O-N 2.71Å; Y29-Y31 PolarHBondContact O-N 2.95Å; Y29-C32 PolarHBondContact O-N 2.88Å; Y29-A33 PolarHBondContact O-N 2.79Å
30G91.3Very high89.5Confident45 Ų4572.4 Ų72.446%0.46438%0.38SS..Hα-helixtrans-59.9-44.2173.300000112.4S26 L27 I28 A33 L34S26-G30 PolarHBondContact O-N 2.93Å; L27-G30 PolarHBondContact O-N 2.8Å; I28-G30 VanDerWaalsContact C-N 3.3Å; I28-G30 PolarHBondContact O-N 3.26Å; G30-A33 PolarHBondContact O-N 2.86Å; G30-L34 PolarHBondContact O-N 2.59Å; G30-L34 VanDerWaalsContact O-N 3.14Å
31Y90.6Very high90Very high41 Ų4168.9 Ų68.916%0.16138%0.375CS..Hα-helixtrans-74.3-34.7178.6-159.6-126.1000112.5L27 I28 Y29 A33 L34 C35 S219 F222L27-Y31 PolarHBondContact O-N 2.91Å; I28-Y31 PolarHBondContact O-N 3.16Å; I28-Y31 VanDerWaalsContact O-N 3.14Å; Y29-Y31 PolarHBondContact O-N 2.95Å; Y31-A33 VanDerWaalsContact C-N 3.3Å; Y31-A33 PolarHBondContact O-N 2.93Å; Y31-L34 HydrophobicContact CD2-CB 4.44Å; Y31-L34 HydrophobicContact CD2-CD2 3.82Å; Y31-L34 HydrophobicContact CE2-CD2 3.74Å; Y31-L34 WeakPolarHBondContact O-CB 3.42Å; Y31-L34 PolarHBondContact O-N 2.91Å; Y31-C35 PolarHBondContact O-N 2.77Å; Y31-C35 PolarHBondContact O-SG 2.93Å; Y31-C35 VanDerWaalsContact O-SG 3.36Å; Y31-S219 PolarHBondContact OH-OG 2.92Å; Y31-F222 HydrophobicContact CD1-CB 3.94Å; Y31-F222 AromaticContact CD1-CD1 3.63Å; Y31-F222 HydrophobicContact CD1-CD1 3.63Å; Y31-F222 AromaticContact CD1-CD2 3.29Å; Y31-F222 HydrophobicContact CD1-CD2 3.29Å; Y31-F222 AromaticContact CD1-CE1 3.83Å; Y31-F222 HydrophobicContact CD1-CE1 3.83Å; Y31-F222 AromaticContact CD1-CE2 3.51Å; Y31-F222 HydrophobicContact CD1-CE2 3.51Å; Y31-F222 AromaticContact CD1-CG 3.34Å; Y31-F222 HydrophobicContact CD1-CG 3.34Å; Y31-F222 AromaticContact CD1-CZ 3.76Å; Y31-F222 HydrophobicContact CD1-CZ 3.76Å; Y31-F222 AromaticContact CE1-CD2 3.5Å; Y31-F222 HydrophobicContact CE1-CD2 3.5Å; Y31-F222 VanDerWaalsContact CE1-CD2 3.5Å; Y31-F222 AromaticContact CE1-CE2 3.67Å; Y31-F222 HydrophobicContact CE1-CE2 3.67Å; Y31-F222 HydrophobicContact CE1-CG 4.01Å; Y31-F222 HydrophobicContact CE1-CZ 4.31Å; Y31-F222 HydrophobicContact CG-CD1 4.33Å; Y31-F222 HydrophobicContact CG-CG 4.33Å
32C91.1Very high90.3Very high7 Ų771.8 Ų71.85%0.04738%0.381CS..Hα-helixtrans-55.5-45168.2-66.20000111.2I28 Y29 L34 C35 T36 F222I28-C32 PolarHBondContact O-N 2.86Å; I28-C32 PolarHBondContact O-SG 3.48Å; Y29-C32 PolarHBondContact O-N 2.88Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L34 PolarHBondContact O-N 3.38Å; C32-C35 PolarHBondContact O-N 2.88Å; C32-T36 WeakPolarHBondContact O-CB 3.21Å; C32-T36 PolarHBondContact O-N 3.4Å; C32-T36 PolarHBondContact O-OG1 2.97Å; C32-F222 PolarHBondContact SG-O 3.49Å
33A90.6Very high90.5Very high53 Ų5363.3 Ų63.344%0.43835%0.351SS..Hα-helixtrans-63-39.3177.900000112.4Y29 G30 Y31 T36 T37Y29-A33 PolarHBondContact O-N 2.79Å; G30-A33 PolarHBondContact O-N 2.86Å; Y31-A33 VanDerWaalsContact C-N 3.3Å; Y31-A33 PolarHBondContact O-N 2.93Å; A33-T36 PolarHBondContact O-N 3.47Å; A33-T37 WeakPolarHBondContact O-CB 3.23Å; A33-T37 PolarHBondContact O-N 3Å; A33-T37 PolarHBondContact O-OG1 3.2Å
34L92.6Very high90.8Very high107 Ų10765.1 Ų65.156%0.5636%0.357SS*.Hα-helixtrans-62.2-49.9174.7-17669.7000111.4G30 Y31 C32 T36 T37 A38G30-L34 PolarHBondContact O-N 2.59Å; G30-L34 VanDerWaalsContact O-N 3.14Å; Y31-L34 HydrophobicContact CD2-CB 4.44Å; Y31-L34 HydrophobicContact CD2-CD2 3.82Å; Y31-L34 HydrophobicContact CE2-CD2 3.74Å; Y31-L34 WeakPolarHBondContact O-CB 3.42Å; Y31-L34 PolarHBondContact O-N 2.91Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L34 PolarHBondContact O-N 3.38Å; L34-T36 VanDerWaalsContact C-N 3.3Å; L34-T36 PolarHBondContact O-N 3.37Å; L34-T37 PolarHBondContact O-N 3.42Å; L34-A38 PolarHBondContact O-N 3.41Å; L34-A38 VanDerWaalsContact O-N 3.07Å
35C91.3Very high91.1Very high15 Ų1569.3 Ų69.310%0.10137%0.373CS..Hα-helixtrans-60.7-40.6177.2-65.60000111.9Y31 C32 A38 A39 F223Y31-C35 PolarHBondContact O-N 2.77Å; Y31-C35 PolarHBondContact O-SG 2.93Å; Y31-C35 VanDerWaalsContact O-SG 3.36Å; C32-C35 PolarHBondContact O-N 2.88Å; C35-A38 PolarHBondContact O-N 2.78Å; C35-A39 WeakPolarHBondContact O-CB 3.16Å; C35-A39 PolarHBondContact O-N 2.73Å; C35-F223 HydrophobicContact CB-CB 4.03Å
36T90.4Very high91.1Very high26 Ų2668 Ų6816%0.1637%0.371CS..Hα-helixtrans-60.2-47.6176.1-51.90000111C32 A33 L34 A38 A39 L40 L226 F229C32-T36 WeakPolarHBondContact O-CB 3.21Å; C32-T36 PolarHBondContact O-N 3.4Å; C32-T36 PolarHBondContact O-OG1 2.97Å; A33-T36 PolarHBondContact O-N 3.47Å; L34-T36 VanDerWaalsContact C-N 3.3Å; L34-T36 PolarHBondContact O-N 3.37Å; T36-A38 PolarHBondContact O-N 3.16Å; T36-A39 PolarHBondContact O-N 3.03Å; T36-L40 HydrophobicContact CG2-CD1 3.97Å; T36-L40 HydrophobicContact CG2-CG 4.32Å; T36-L40 WeakPolarHBondContact O-CB 3.35Å; T36-L40 WeakPolarHBondContact O-CG 3.48Å; T36-L40 PolarHBondContact O-N 3.24Å; T36-L226 HydrophobicContact CG2-CD1 3.97Å; T36-L226 WeakPolarHBondContact OG1-CD1 3.43Å; T36-F229 HydrophobicContact CG2-CD1 4.28Å; T36-F229 HydrophobicContact CG2-CE1 4.03Å
37T92.5Very high91.3Very high77 Ų7767.7 Ų67.747%0.47236%0.363SS..Hα-helixtrans-59.7-47.1179.9-57.40000110.7A33 L34 A39 L40 L41A33-T37 WeakPolarHBondContact O-CB 3.23Å; A33-T37 PolarHBondContact O-N 3Å; A33-T37 PolarHBondContact O-OG1 3.2Å; L34-T37 PolarHBondContact O-N 3.42Å; T37-A39 VanDerWaalsContact C-N 3.33Å; T37-A39 PolarHBondContact O-N 3.07Å; T37-L40 PolarHBondContact O-N 3.38Å; T37-L41 HydrophobicContact CG2-CD1 4.39Å; T37-L41 WeakPolarHBondContact O-CG 3.42Å; T37-L41 PolarHBondContact O-N 3.38Å
38A92.6Very high91.6Very high49 Ų4966.6 Ų66.641%0.40536%0.362SS..Hα-helixtrans-61.9-39.2176.800000112.7L34 C35 T36 K42L34-A38 PolarHBondContact O-N 3.41Å; L34-A38 VanDerWaalsContact O-N 3.07Å; C35-A38 PolarHBondContact O-N 2.78Å; T36-A38 PolarHBondContact O-N 3.16Å; A38-K42 WeakPolarHBondContact O-CG 3.33Å; A38-K42 PolarHBondContact O-N 2.8Å; A38-K42 VanDerWaalsContact O-N 3.16Å
39A91.4Very high91.8Very high10 Ų1070.9 Ų70.98%0.08338%0.384CS..Hα-helixtrans-68.4-40.4176.400000112.4C35 T36 T37 K42 L43 F223 F229C35-A39 WeakPolarHBondContact O-CB 3.16Å; C35-A39 PolarHBondContact O-N 2.73Å; T36-A39 PolarHBondContact O-N 3.03Å; T37-A39 VanDerWaalsContact C-N 3.33Å; T37-A39 PolarHBondContact O-N 3.07Å; A39-K42 WeakPolarHBondContact O-CB 3.43Å; A39-K42 PolarHBondContact O-N 3.38Å; A39-L43 PolarHBondContact O-N 2.92Å; A39-F223 HydrophobicContact CB-CD2 4.12Å; A39-F223 HydrophobicContact CB-CE2 3.51Å; A39-F223 HydrophobicContact CB-CZ 4.07Å; A39-F229 HydrophobicContact CB-CE1 3.82Å; A39-F229 HydrophobicContact CB-CZ 4.15Å
40L93.4Very high91.8Very high79 Ų7970.7 Ų70.741%0.41438%0.382SS..Hα-helixtrans-62.5-43.8174.6-75.8170.9000111.6T36 T37 K42 L43 C44 F229T36-L40 HydrophobicContact CG2-CD1 3.97Å; T36-L40 HydrophobicContact CG2-CG 4.32Å; T36-L40 WeakPolarHBondContact O-CB 3.35Å; T36-L40 WeakPolarHBondContact O-CG 3.48Å; T36-L40 PolarHBondContact O-N 3.24Å; T37-L40 PolarHBondContact O-N 3.38Å; L40-K42 VanDerWaalsContact C-N 3.32Å; L40-K42 PolarHBondContact O-N 2.95Å; L40-L43 WeakPolarHBondContact O-CB 3.36Å; L40-L43 PolarHBondContact O-N 3.29Å; L40-L43 VanDerWaalsContact O-N 3.14Å; L40-C44 PolarHBondContact O-N 3.45Å; L40-C44 PolarHBondContact O-SG 3.15Å; L40-F229 HydrophobicContact CD2-CE1 4.36Å; L40-F229 HydrophobicContact CD2-CE2 4.03Å; L40-F229 HydrophobicContact CD2-CZ 3.61Å; L40-F229 HydrophobicContact CG-CE1 4.25Å; L40-F229 HydrophobicContact CG-CZ 3.87Å
41L94.1Very high91.6Very high118 Ų11872.4 Ų72.462%0.61839%0.385SS*.Hα-helixtrans-59.8-42.6175.4-70.6172.9000111.7T37 C44 W45T37-L41 HydrophobicContact CG2-CD1 4.39Å; T37-L41 WeakPolarHBondContact O-CG 3.42Å; T37-L41 PolarHBondContact O-N 3.38Å; L41-C44 PolarHBondContact O-N 2.96Å; L41-W45 WeakPolarHBondContact O-CB 3.35Å; L41-W45 PolarHBondContact O-N 3.41Å
42K90.8Very high91.4Very high139 Ų13975.7 Ų75.760%0.60441%0.41SS*.Hα-helixtrans-63.2-40.2174.1-72.2173.4-177.5177.80112.2A38 A39 L40 W45 N46A38-K42 WeakPolarHBondContact O-CG 3.33Å; A38-K42 PolarHBondContact O-N 2.8Å; A38-K42 VanDerWaalsContact O-N 3.16Å; A39-K42 WeakPolarHBondContact O-CB 3.43Å; A39-K42 PolarHBondContact O-N 3.38Å; L40-K42 VanDerWaalsContact C-N 3.32Å; L40-K42 PolarHBondContact O-N 2.95Å; K42-W45 PolarHBondContact O-N 3.33Å; K42-N46 PolarHBondContact O-N 2.76Å; K42-N46 PolarHBondContact O-ND2 2.84Å
43L92.6Very high91.3Very high16 Ų1677.8 Ų77.88%0.08442%0.423CS..Hα-helixtrans-63.9-49.4176.2179.558.9000110.9A39 L40 W45 N46 I47 T54 F55 F229 M233 I236A39-L43 PolarHBondContact O-N 2.92Å; L40-L43 WeakPolarHBondContact O-CB 3.36Å; L40-L43 PolarHBondContact O-N 3.29Å; L40-L43 VanDerWaalsContact O-N 3.14Å; L43-W45 VanDerWaalsContact C-N 3.29Å; L43-W45 PolarHBondContact O-N 3.41Å; L43-N46 PolarHBondContact O-N 3.18Å; L43-N46 VanDerWaalsContact O-N 3.13Å; L43-I47 HydrophobicContact CD1-CD1 4.15Å; L43-I47 HydrophobicContact CD1-CG1 4.28Å; L43-I47 HydrophobicContact CG-CD1 3.93Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.45Å; L43-I47 PolarHBondContact O-N 2.94Å; L43-T54 HydrophobicContact CD1-CG2 3.97Å; L43-F55 HydrophobicContact CD1-CE1 4.31Å; L43-F55 HydrophobicContact CD1-CZ 4.21Å; L43-F229 HydrophobicContact CD2-CE2 4.09Å; L43-M233 HydrophobicContact CB-CE 4.41Å; L43-M233 HydrophobicContact CB-SD 3.99Å; L43-M233 HydrophobicContact CD1-SD 4.22Å; L43-M233 HydrophobicContact CD2-SD 4.22Å; L43-M233 HydrophobicContact CG-SD 4.37Å; L43-I236 HydrophobicContact CD1-CD1 3.9Å
44C93.4Very high91.3Very high71 Ų7175.2 Ų75.248%0.4840%0.402SS..Hα-helixtrans-55.7-45175.5-690000111.5L40 L41 N46 I47 V48L40-C44 PolarHBondContact O-N 3.45Å; L40-C44 PolarHBondContact O-SG 3.15Å; L41-C44 PolarHBondContact O-N 2.96Å; C44-N46 PolarHBondContact O-N 3.03Å; C44-I47 PolarHBondContact O-N 3.06Å; C44-V48 WeakPolarHBondContact O-CG2 3.42Å; C44-V48 PolarHBondContact O-N 2.99Å
45W91.9Very high91.3Very high168 Ų16875.1 Ų75.164%0.63640%0.397SS*.Hα-helixtrans-59.6-45176.1-176.1-100.7000112.7L41 K42 L43 V48 L49L41-W45 WeakPolarHBondContact O-CB 3.35Å; L41-W45 PolarHBondContact O-N 3.41Å; K42-W45 PolarHBondContact O-N 3.33Å; L43-W45 VanDerWaalsContact C-N 3.29Å; L43-W45 PolarHBondContact O-N 3.41Å; W45-V48 PolarHBondContact O-N 2.89Å; W45-L49 HydrophobicContact CD2-CD1 4.4Å; W45-L49 HydrophobicContact CG-CD1 4.48Å; W45-L49 HydrophobicContact CZ2-CD1 3.97Å; W45-L49 HydrophobicContact CZ2-CD2 4.42Å; W45-L49 HydrophobicContact CZ2-CG 4.4Å; W45-L49 WeakPolarHBondContact O-CG 3.23Å; W45-L49 PolarHBondContact O-N 3.42Å
46N89Confident91.3Very high45 Ų4579.7 Ų79.724%0.24142%0.417CS..Hα-helixtrans-63.8-41.1176.1-74-32.1000112.3K42 L43 C44 V48 L49 R50 T54K42-N46 PolarHBondContact O-N 2.76Å; K42-N46 PolarHBondContact O-ND2 2.84Å; L43-N46 PolarHBondContact O-N 3.18Å; L43-N46 VanDerWaalsContact O-N 3.13Å; C44-N46 PolarHBondContact O-N 3.03Å; N46-V48 VanDerWaalsContact C-N 3.32Å; N46-V48 PolarHBondContact O-N 3.21Å; N46-L49 PolarHBondContact O-N 2.88Å; N46-R50 CarbonylContact O-C 3.52Å; N46-R50 WeakPolarHBondContact O-CA 3.41Å; N46-R50 PolarHBondContact O-N 3.14Å; N46-T54 HydrophobicContact CB-CG2 4.23Å; N46-T54 PolarHBondContact O-OG1 2.86Å
47I92.7Very high91.5Very high63 Ų6384 Ų8432%0.32343%0.43SS..Hα-helixtrans-60.8-43.7176.8-67.6167.2000110.3L43 C44 P51 T54 F55L43-I47 HydrophobicContact CD1-CD1 4.15Å; L43-I47 HydrophobicContact CD1-CG1 4.28Å; L43-I47 HydrophobicContact CG-CD1 3.93Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.45Å; L43-I47 PolarHBondContact O-N 2.94Å; C44-I47 PolarHBondContact O-N 3.06Å; I47-P51 VanDerWaalsContact O-CA 3.26Å; I47-P51 WeakPolarHBondContact O-CA 3.48Å; I47-P51 VanDerWaalsContact O-CB 3.31Å; I47-P51 WeakPolarHBondContact O-CB 3.49Å; I47-P51 VanDerWaalsContact O-CD 3.27Å; I47-P51 WeakPolarHBondContact O-CD 3.41Å; I47-T54 HydrophobicContact CG1-CG2 4.04Å; I47-F55 HydrophobicContact CD1-CE2 3.94Å; I47-F55 HydrophobicContact CD1-CZ 3.82Å; I47-F55 HydrophobicContact CG1-CE2 3.89Å; I47-F55 HydrophobicContact CG1-CZ 4.13Å
48V93.6Very high91.5Very high112 Ų11281.6 Ų81.668%0.67942%0.421SS*.Hα-helixtrans-64.3-44.7177.71710000111.3C44 W45 N46C44-V48 WeakPolarHBondContact O-CG2 3.42Å; C44-V48 PolarHBondContact O-N 2.99Å; W45-V48 PolarHBondContact O-N 2.89Å; N46-V48 VanDerWaalsContact C-N 3.32Å; N46-V48 PolarHBondContact O-N 3.21Å
49L91.9Very high91.6Very high99 Ų9983.6 Ų83.652%0.51842%0.424SS..Hα-helixtrans-77.1-34-176.5-70.6-173.5000114.1W45 N46W45-L49 HydrophobicContact CD2-CD1 4.4Å; W45-L49 HydrophobicContact CG-CD1 4.48Å; W45-L49 HydrophobicContact CZ2-CD1 3.97Å; W45-L49 HydrophobicContact CZ2-CD2 4.42Å; W45-L49 HydrophobicContact CZ2-CG 4.4Å; W45-L49 WeakPolarHBondContact O-CG 3.23Å; W45-L49 PolarHBondContact O-N 3.42Å; N46-L49 PolarHBondContact O-N 2.88Å
50R90.8Very high91.9Very high144 Ų14485.1 Ų85.154%0.54343%0.427SS..  trans-147.665-170.5-58.9-173.8-175.8-170.2-2.5111.5N46 T52 T53 T54N46-R50 CarbonylContact O-C 3.52Å; N46-R50 WeakPolarHBondContact O-CA 3.41Å; N46-R50 PolarHBondContact O-N 3.14Å; R50-T52 VanDerWaalsContact C-N 3.3Å; R50-T52 PolarHBondContact O-N 3.45Å; R50-T53 WeakPolarHBondContact CB-OG1 3.36Å; R50-T53 PolarHBondContact O-N 3.44Å; R50-T54 WeakPolarHBondContact O-CB 3.29Å; R50-T54 PolarHBondContact O-N 3.37Å; R50-T54 VanDerWaalsContact O-N 3.11Å; R50-T54 PolarHBondContact O-OG1 3.19Å
51P86.8Confident92Very high81 Ų8189.6 Ų89.653%0.52645%0.446SS..Hα-helixtrans-61.9-36.7-171.922-32.3000113I47I47-P51 VanDerWaalsContact O-CA 3.26Å; I47-P51 WeakPolarHBondContact O-CA 3.48Å; I47-P51 VanDerWaalsContact O-CB 3.31Å; I47-P51 WeakPolarHBondContact O-CB 3.49Å; I47-P51 VanDerWaalsContact O-CD 3.27Å; I47-P51 WeakPolarHBondContact O-CD 3.41Å
52T86.5Confident92Very high111 Ų11189.3 Ų89.368%0.68145%0.449SS*.Hα-helixtrans-75.8-29.7-175.752.30000113.7R50 Q56R50-T52 VanDerWaalsContact C-N 3.3Å; R50-T52 PolarHBondContact O-N 3.45Å; T52-Q56 VanDerWaalsContact O-CD 3.29Å; T52-Q56 WeakPolarHBondContact O-CG 3.33Å; T52-Q56 PolarHBondContact O-NE2 3.32Å
53T88.4Confident92.2Very high50 Ų5084.9 Ų84.931%0.30744%0.435SS..Hα-helixtrans-101.2-14.9-175.765.20000113.4R50 F55 Q56R50-T53 WeakPolarHBondContact CB-OG1 3.36Å; R50-T53 PolarHBondContact O-N 3.44Å; T53-F55 PolarHBondContact O-N 3.03Å; T53-Q56 PolarHBondContact O-N 3.04Å
54T90.1Very high92.4Very high0 Ų085.2 Ų85.20%044%0.438CS..Hα-helixtrans-58.7-47.9-174.7-68.20000111.3L43 N46 I47 R50 Q56 I236 N237L43-T54 HydrophobicContact CD1-CG2 3.97Å; N46-T54 HydrophobicContact CB-CG2 4.23Å; N46-T54 PolarHBondContact O-OG1 2.86Å; I47-T54 HydrophobicContact CG1-CG2 4.04Å; R50-T54 WeakPolarHBondContact O-CB 3.29Å; R50-T54 PolarHBondContact O-N 3.37Å; R50-T54 VanDerWaalsContact O-N 3.11Å; R50-T54 PolarHBondContact O-OG1 3.19Å; T54-Q56 VanDerWaalsContact C-N 3.29Å; T54-Q56 PolarHBondContact O-N 3.17Å; T54-I236 WeakPolarHBondContact O-CB 3.41Å; T54-I236 WeakPolarHBondContact O-CG2 3.45Å; T54-N237 WeakPolarHBondContact CA-OD1 3.23Å; T54-N237 PolarHBondContact O-N 2.85Å
55F93.3Very high92.6Very high105 Ų10585.1 Ų85.146%0.46144%0.443SS..THydrogen-bonded Turntrans-93.630.4-178.4-60.9-75000113.7L43 I47 T53 W57 L232 I236L43-F55 HydrophobicContact CD1-CE1 4.31Å; L43-F55 HydrophobicContact CD1-CZ 4.21Å; I47-F55 HydrophobicContact CD1-CE2 3.94Å; I47-F55 HydrophobicContact CD1-CZ 3.82Å; I47-F55 HydrophobicContact CG1-CE2 3.89Å; I47-F55 HydrophobicContact CG1-CZ 4.13Å; T53-F55 PolarHBondContact O-N 3.03Å; F55-W57 HydrophobicContact CB-CZ3 4.11Å; F55-W57 HydrophobicContact CD1-CZ3 4.42Å; F55-W57 VanDerWaalsContact O-CZ3 3.3Å; F55-W57 WeakPolarHBondContact O-CZ3 3.43Å; F55-L232 HydrophobicContact CD1-CD1 4.4Å; F55-I236 HydrophobicContact CD1-CG2 4.07Å; F55-I236 HydrophobicContact CE1-CG2 4.46Å
56Q92.1Very high92.8Very high110 Ų11078 Ų7851%0.51442%0.418SS..  trans-104130174.8-65.5-177.7-16.800110.3T52 T53 T54 N237 D238T52-Q56 VanDerWaalsContact O-CD 3.29Å; T52-Q56 WeakPolarHBondContact O-CG 3.33Å; T52-Q56 PolarHBondContact O-NE2 3.32Å; T53-Q56 PolarHBondContact O-N 3.04Å; T54-Q56 VanDerWaalsContact C-N 3.29Å; T54-Q56 PolarHBondContact O-N 3.17Å; Q56-N237 CarbonylContact O-C 3.56Å; Q56-N237 PolarHBondContact O-N 3.13Å; Q56-D238 PolarHBondContact O-N 3.37Å
57W94.4Very high93.2Very high116 Ų11676.3 Ų76.344%0.43941%0.409SS..  trans-158.9154.7168.36392000109F55 L232 S235 I236 F239F55-W57 HydrophobicContact CB-CZ3 4.11Å; F55-W57 HydrophobicContact CD1-CZ3 4.42Å; F55-W57 VanDerWaalsContact O-CZ3 3.3Å; F55-W57 WeakPolarHBondContact O-CZ3 3.43Å; W57-L232 HydrophobicContact CH2-CD1 3.93Å; W57-L232 HydrophobicContact CZ3-CD1 4.12Å; W57-S235 VanDerWaalsContact CB-O 3.23Å; W57-S235 WeakPolarHBondContact CB-O 3.44Å; W57-I236 HydrophobicContact CE3-CG2 4.41Å; W57-I236 HydrophobicContact CZ3-CG2 4.19Å; W57-F239 HydrophobicContact CB-CD2 4.44Å; W57-F239 HydrophobicContact CB-CE2 4.07Å; W57-F239 HydrophobicContact CB-CZ 4.49Å
58G91.8Very high93.3Very high27 Ų2778.1 Ų78.128%0.27842%0.419SS..  trans-124.3134-17900000112.6R60 D238 F239G58-R60 PolarHBondContact O-N 2.85Å; G58-R60 PolarHBondContact O-NH1 3.41Å; G58-D238 PolarHBondContact N-OD1 3.49Å; G58-F239 WeakPolarHBondContact O-CE2 3.38Å
59I95.9Very high93.4Very high91 Ų9175.2 Ų75.247%0.46740%0.4SS..  trans-65.8128.9165.1-58.7177000107.3E61 P275I59-E61 PolarHBondContact O-N 3.35Å; I59-P275 HydrophobicContact CD1-CG 4.44Å
60R96.6Very high93.5Very high43 Ų4376.6 Ų76.616%0.16241%0.412CS..  trans-82111.5174.2-52.5-55.5-168.3-112.510.3108.2G58 D238 E266 L269 Y270 S273 Q274G58-R60 PolarHBondContact O-N 2.85Å; G58-R60 PolarHBondContact O-NH1 3.41Å; R60-D238 IonicContact CZ-OD1 2.76Å; R60-D238 IonicContact CZ-OD2 3.75Å; R60-D238 IonicContact NH1-OD1 2.81Å; R60-D238 PolarHBondContact NH1-OD1 3.4Å; R60-D238 IonicContact NH1-OD2 2.93Å; R60-D238 IonicContact NH2-OD1 3.83Å; R60-D238 PolarHBondContact NH2-OD1 3.25Å; R60-D238 IonicContact NH2-OD2 3.07Å; R60-D238 PolarHBondContact NH2-OD2 2.94Å; R60-E266 IonicContact CZ-OE2 3.88Å; R60-E266 IonicContact NE-OE2 2.65Å; R60-E266 PolarHBondContact NE-OE2 3.41Å; R60-E266 IonicContact NH2-OE1 3.16Å; R60-E266 IonicContact NH2-OE2 3.38Å; R60-L269 HydrophobicContact CG-CB 4.48Å; R60-Y270 HydrophobicContact CB-CD2 3.81Å; R60-Y270 HydrophobicContact CB-CG 4.4Å; R60-Y270 VanDerWaalsContact O-CD2 3.23Å; R60-Y270 WeakPolarHBondContact O-CD2 3.45Å; R60-Y270 WeakPolarHBondContact O-CE2 3.43Å; R60-S273 PolarHBondContact N-OG 3.48Å; R60-Q274 PolarHBondContact O-NE2 3.29Å
61E94.9Very high93.7Very high172 Ų17271.7 Ų71.780%0.80440%0.4SS*.  trans-81-29.5-176.1-61.6-175.8169.900112.8I59I59-E61 PolarHBondContact O-N 3.35Å
62T95.1Very high94.1Very high112 Ų11268 Ų6869%0.68738%0.376SS*.SBendtrans-106.8125.8-176.6-51.50000110.8Y270T62-Y270 WeakPolarHBondContact O-CD2 3.31Å
63P95.4Very high94.7Very high47 Ų4763.3 Ų63.331%0.30535%0.35SS..  trans-65.9133.917325.3-32000110.4L67 Y270P63-L67 HydrophobicContact CB-CD1 4.15Å; P63-Y270 HydrophobicContact CB-CD1 4.33Å; P63-Y270 HydrophobicContact CB-CD2 4.46Å; P63-Y270 HydrophobicContact CB-CE1 3.86Å; P63-Y270 HydrophobicContact CB-CE2 4.01Å
64P96.9Very high95.1Very high22 Ų2264.8 Ų64.814%0.14336%0.359CS..  trans-59.7152.9173.4-27.337.8000113C66 L67 E263 E266 A267P64-C66 VanDerWaalsContact C-N 3.25Å; P64-C66 PolarHBondContact O-N 2.84Å; P64-L67 WeakPolarHBondContact O-CB 3.37Å; P64-L67 PolarHBondContact O-N 3.19Å; P64-E263 HydrophobicContact CB-CG 4Å; P64-E266 HydrophobicContact CG-CB 4.05Å; P64-A267 HydrophobicContact CG-CB 4.35Å
65A96.6Very high95.5Very high70 Ų7068 Ų6858%0.57937%0.374SS*.G310 helixtrans-65-30.5-173.600000112.5L67 N68 E263A65-L67 PolarHBondContact O-N 3.42Å; A65-L67 VanDerWaalsContact O-N 3.12Å; A65-N68 PolarHBondContact O-N 3.21Å; A65-E263 WeakPolarHBondContact CA-OE1 3.37Å; A65-E263 WeakPolarHBondContact CB-OE1 3.06Å; A65-E263 PolarHBondContact N-OE1 2.71Å; A65-E263 VanDerWaalsContact N-OE1 3.16Å
66C96.3Very high95.8Very high17 Ų1764.2 Ų64.212%0.11536%0.361CS..G310 helixtrans-56.7-24.3173.969.70000114.1P64 N68 F111 E263P64-C66 VanDerWaalsContact C-N 3.25Å; P64-C66 PolarHBondContact O-N 2.84Å; C66-N68 VanDerWaalsContact C-N 3.31Å; C66-F111 HydrophobicContact CB-CE2 4.18Å; C66-F111 HydrophobicContact CB-CZ 3.92Å; C66-F111 VanDerWaalsContact SG-CZ 3.58Å; C66-E263 HydrophobicContact CB-CG 4.08Å; C66-E263 PolarHBondContact N-OE1 3.14Å
67L97.1Very high96.1Very high11 Ų1163.2 Ų63.26%0.05835%0.353CS..G310 helixtrans-74.9-22.3175.3-59-172.1000112.9P63 P64 A65 H75 F109 W110 F111 A267 Y270P63-L67 HydrophobicContact CB-CD1 4.15Å; P64-L67 WeakPolarHBondContact O-CB 3.37Å; P64-L67 PolarHBondContact O-N 3.19Å; A65-L67 PolarHBondContact O-N 3.42Å; A65-L67 VanDerWaalsContact O-N 3.12Å; L67-H75 PolarHBondContact O-NE2 2.81Å; L67-F109 HydrophobicContact CD1-CZ 4.48Å; L67-F109 HydrophobicContact CD2-CE2 3.96Å; L67-F109 HydrophobicContact CD2-CZ 3.69Å; L67-W110 HydrophobicContact CD2-CZ2 4.19Å; L67-F111 HydrophobicContact CD2-CB 4.35Å; L67-F111 HydrophobicContact CD2-CD2 3.74Å; L67-F111 HydrophobicContact CD2-CE2 4.11Å; L67-F111 HydrophobicContact CD2-CG 3.97Å; L67-A267 HydrophobicContact CD1-CB 4.37Å; L67-A267 HydrophobicContact CD2-CB 3.68Å; L67-A267 HydrophobicContact CG-CB 4.09Å; L67-Y270 HydrophobicContact CD1-CD1 3.76Å; L67-Y270 HydrophobicContact CD1-CE1 4.17Å
68N95.3Very high96.2Very high101 Ų10157.7 Ų57.754%0.5433%0.332SS..G310 helixtrans-97.910.9178.4-64.5-49.9000112.6A65 C66 T70A65-N68 PolarHBondContact O-N 3.21Å; C66-N68 VanDerWaalsContact C-N 3.31Å; N68-T70 PolarHBondContact O-N 3.41Å
69D95.6Very high96.5Very high51 Ų5163.3 Ų63.327%0.27335%0.345SS..  trans-68.2101.2178.5178.45.2000111.1S71 L72 R118D69-S71 PolarHBondContact O-N 2.79Å; D69-S71 WeakPolarHBondContact OD1-CA 3.16Å; D69-S71 WeakPolarHBondContact OD1-CB 3.37Å; D69-S71 PolarHBondContact OD1-N 3.43Å; D69-S71 PolarHBondContact OD1-OG 3.01Å; D69-S71 PolarHBondContact OD2-OG 3.38Å; D69-L72 HydrophobicContact CB-CD1 4.09Å; D69-L72 HydrophobicContact CB-CG 4.12Å; D69-L72 WeakPolarHBondContact O-CB 3.44Å; D69-L72 PolarHBondContact O-N 3.24Å; D69-R118 IonicContact OD2-CZ 3.83Å; D69-R118 IonicContact OD2-NE 3.46Å; D69-R118 IonicContact OD2-NH2 3.7Å; D69-R118 PolarHBondContact OD2-NH2 2.72Å
70T93.7Very high96.5Very high127 Ų12759.2 Ų59.278%0.77932%0.324SS*.THydrogen-bonded Turntrans-58.9-17.5178.460.20000114.3N68 L72 G73N68-T70 PolarHBondContact O-N 3.41Å; T70-L72 PolarHBondContact O-N 3.41Å; T70-G73 PolarHBondContact O-N 2.92Å
71S94.9Very high96.1Very high42 Ų4266.2 Ų66.229%0.29436%0.355SS..THydrogen-bonded Turntrans-67.6-22.6174.883.30000112.6D69 R118 K121D69-S71 PolarHBondContact O-N 2.79Å; D69-S71 WeakPolarHBondContact OD1-CA 3.16Å; D69-S71 WeakPolarHBondContact OD1-CB 3.37Å; D69-S71 PolarHBondContact OD1-N 3.43Å; D69-S71 PolarHBondContact OD1-OG 3.01Å; D69-S71 PolarHBondContact OD2-OG 3.38Å; S71-R118 PolarHBondContact OG-NE 2.91Å; S71-K121 PolarHBondContact O-NZ 3.3Å
72L96.4Very high95.8Very high2 Ų265.1 Ų65.11%0.0135%0.35CS..SBendtrans-80.3-24.8177.6-60.3-178.8000112.5D69 T70 I90 W110 F111 R114 R118D69-L72 HydrophobicContact CB-CD1 4.09Å; D69-L72 HydrophobicContact CB-CG 4.12Å; D69-L72 WeakPolarHBondContact O-CB 3.44Å; D69-L72 PolarHBondContact O-N 3.24Å; T70-L72 PolarHBondContact O-N 3.41Å; L72-I90 WeakPolarHBondContact O-CG2 3.28Å; L72-W110 HydrophobicContact CB-CH2 4.45Å; L72-W110 HydrophobicContact CB-CZ3 4.23Å; L72-W110 HydrophobicContact CD1-CH2 3.8Å; L72-W110 HydrophobicContact CD1-CZ3 3.86Å; L72-F111 HydrophobicContact CD1-CD2 4.26Å; L72-F111 HydrophobicContact CD1-CE2 3.97Å; L72-R114 HydrophobicContact CD1-CB 4.05Å; L72-R114 HydrophobicContact CD2-CB 3.83Å; L72-R114 WeakPolarHBondContact CD2-O 3.14Å; L72-R118 HydrophobicContact CD2-CG 3.64Å; L72-R118 VanDerWaalsContact CD2-CZ 3.47Å
73G97.3Very high95.7Very high14 Ų1462.1 Ų62.114%0.14433%0.334CS..  trans137.7-164179.700000112.4T70 A91T70-G73 PolarHBondContact O-N 2.92Å; G73-A91 WeakPolarHBondContact CA-O 3.25Å
74T98.1Very high95.7Very high81 Ų8161.5 Ų61.550%0.49734%0.336SS..EExtended strand (participates in β ladder)trans-112.1135.2178.354.60000110.4C76 A91T74-C76 PolarHBondContact O-N 3.33Å; T74-A91 PolarHBondContact N-O 2.91Å; T74-A91 PolarHBondContact O-N 3.32Å; T74-A91 PolarHBondContact OG1-O 3.07Å
75H98.5Very high95.7Very high67 Ų6761.5 Ų61.531%0.3133%0.334SS..EExtended strand (participates in β ladder)trans-62.6130.8168.4-67.3-104.7000110.2L67 H88 I90L67-H75 PolarHBondContact O-NE2 2.81Å; H75-H88 AromaticContact CE1-NE2 3.92Å; H75-H88 AromaticContact CG-NE2 3.66Å; H75-H88 AromaticContact ND1-CE1 3.56Å; H75-H88 AromaticContact ND1-NE2 2.93Å; H75-H88 PolarHBondContact ND1-NE2 2.88Å; H75-I90 HydrophobicContact CB-CD1 4.15Å; H75-I90 VanDerWaalsContact CG-CD1 3.5Å; H75-I90 WeakPolarHBondContact ND1-CD1 3.16Å
76C98.5Very high95.8Very high26 Ų2662.2 Ų62.218%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-139.6157.1-178.7-68.70000109.3T74 H88 Y89T74-C76 PolarHBondContact O-N 3.33Å; C76-H88 WeakPolarHBondContact O-CA 3.42Å; C76-H88 PolarHBondContact O-CD2 2.81Å; C76-Y89 HydrophobicContact CB-CD1 4.18Å; C76-Y89 HydrophobicContact CB-CD2 3.75Å; C76-Y89 HydrophobicContact CB-CE1 3.71Å; C76-Y89 HydrophobicContact CB-CE2 3.26Å; C76-Y89 HydrophobicContact CB-CG 4.2Å; C76-Y89 PolarHBondContact N-O 2.76Å; C76-Y89 PolarHBondContact O-N 2.7Å
77Y98.5Very high96Very high88 Ų8861.5 Ų61.535%0.34532%0.317SS..EExtended strand (participates in β ladder)trans-133.7144.2177.2-53.8-94.6000110R86 F87 H88 E136Y77-R86 HydrophobicContact CD1-CG 4.42Å; Y77-F87 CarbonylContact C-O 3.54Å; Y77-F87 VanDerWaalsContact CA-O 3.24Å; Y77-F87 WeakPolarHBondContact CA-O 3.36Å; Y77-H88 HydrophobicContact CD1-CB 3.9Å; Y77-H88 HydrophobicContact CE1-CB 3.8Å; Y77-H88 AromaticContact CE1-CD2 3.58Å; Y77-H88 AromaticContact CE1-CG 4Å; Y77-H88 AromaticContact CZ-CD2 3.76Å; Y77-E136 HydrophobicContact CE1-CB 4.16Å; Y77-E136 PolarHBondContact OH-OE2 3.42Å
78V97.5Very high96Very high1 Ų161 Ų611%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-124.4138.2170.851.20000108.5I80 R86 F87 Y89 I158 Y161V78-I80 HydrophobicContact CG1-CD1 4.46Å; V78-I80 HydrophobicContact CG2-CD1 3.62Å; V78-I80 HydrophobicContact CG2-CG1 4.46Å; V78-R86 CarbonylContact O-C 3.58Å; V78-R86 WeakPolarHBondContact O-CA 3.13Å; V78-F87 HydrophobicContact CG1-CB 3.87Å; V78-F87 PolarHBondContact N-O 2.96Å; V78-F87 PolarHBondContact O-N 3.12Å; V78-Y89 HydrophobicContact CB-CE1 4.1Å; V78-Y89 HydrophobicContact CG1-CD1 4.12Å; V78-Y89 HydrophobicContact CG1-CE1 3.93Å; V78-I158 HydrophobicContact CG1-CG1 4.24Å; V78-Y161 HydrophobicContact CB-CD1 3.59Å; V78-Y161 HydrophobicContact CB-CE1 3.55Å; V78-Y161 HydrophobicContact CB-CG 4.14Å; V78-Y161 HydrophobicContact CG2-CD1 3.19Å; V78-Y161 HydrophobicContact CG2-CD2 3.47Å; V78-Y161 VanDerWaalsContact CG2-CD2 3.47Å; V78-Y161 HydrophobicContact CG2-CE1 3.45Å; V78-Y161 VanDerWaalsContact CG2-CE1 3.45Å; V78-Y161 HydrophobicContact CG2-CE2 3.71Å; V78-Y161 HydrophobicContact CG2-CG 3.19Å
79R97.6Very high96.2Very high145 Ų14557 Ų5755%0.54729%0.292SS..EExtended strand (participates in β ladder)trans-106.2116.1166.4-173.1172.7-70.1-86.81.4108.9G84 L85R79-G84 PolarHBondContact NH1-O 3.27Å; R79-L85 WeakPolarHBondContact CA-O 3.5Å
80I95.4Very high96.4Very high4 Ų454.6 Ų54.62%0.02128%0.279CS..  trans-77.2131178.2-56.3-57.8000108.3V78 G84 L85 F87 D157 I158V78-I80 HydrophobicContact CG1-CD1 4.46Å; V78-I80 HydrophobicContact CG2-CD1 3.62Å; V78-I80 HydrophobicContact CG2-CG1 4.46Å; I80-G84 CarbonylContact O-C 3.6Å; I80-G84 WeakPolarHBondContact O-CA 3.23Å; I80-G84 PolarHBondContact O-N 2.92Å; I80-L85 PolarHBondContact N-O 3.33Å; I80-F87 HydrophobicContact CG1-CD2 3.73Å; I80-F87 HydrophobicContact CG1-CE2 3.74Å; I80-D157 HydrophobicContact CD1-CB 3.86Å; I80-D157 HydrophobicContact CG1-CB 4.39Å; I80-D157 HydrophobicContact CG2-CB 3.67Å; I80-I158 HydrophobicContact CD1-CG1 4.07Å
81K89.6Confident96.6Very high191 Ų19148.6 Ų48.683%0.8324%0.243SC*.THydrogen-bonded Turntrans-71.8-42-172.2-70.2-179.21791770111.4
82E88.6Confident96.7Very high148 Ų14847 Ų4769%0.69223%0.232SC*.THydrogen-bonded Turntrans-69.9-46-172.6-68.567.8-153.600111.4
83S92.1Very high96.8Very high49 Ų4948 Ų4834%0.34324%0.243SC..THydrogen-bonded Turntrans-88.5-19.1177.866.10000113.4L85S83-L85 PolarHBondContact O-N 3.34Å; S83-L85 PolarHBondContact OG-N 3.07Å
84G95.4Very high96.8Very high34 Ų3453.4 Ų53.435%0.35126%0.264SS..  trans72.8-5.1-173.200000114.4R79 I80R79-G84 PolarHBondContact NH1-O 3.27Å; I80-G84 CarbonylContact O-C 3.6Å; I80-G84 WeakPolarHBondContact O-CA 3.23Å; I80-G84 PolarHBondContact O-N 2.92Å
85L97.7Very high96.6Very high22 Ų2259.8 Ų59.812%0.11528%0.279CS..  trans-75.1143-176.3-61.8177.5000111.5R79 I80 S83 F87 R132 D138 P140R79-L85 WeakPolarHBondContact CA-O 3.5Å; I80-L85 PolarHBondContact N-O 3.33Å; S83-L85 PolarHBondContact O-N 3.34Å; S83-L85 PolarHBondContact OG-N 3.07Å; L85-F87 HydrophobicContact CB-CD2 4.47Å; L85-F87 HydrophobicContact CB-CE2 3.73Å; L85-F87 HydrophobicContact CB-CZ 4.07Å; L85-F87 HydrophobicContact CD1-CE2 4.47Å; L85-F87 HydrophobicContact CD1-CZ 4.04Å; L85-R132 HydrophobicContact CD1-CG 4.29Å; L85-R132 VanDerWaalsContact CD1-CZ 3.43Å; L85-D138 HydrophobicContact CB-CB 4.4Å; L85-D138 HydrophobicContact CD2-CB 4Å; L85-P140 HydrophobicContact CD1-CG 4.46Å; L85-P140 HydrophobicContact CD2-CG 4.44Å
86R98.6Very high96.4Very high86 Ų8660.2 Ų60.233%0.32530%0.301SS..EExtended strand (participates in β ladder)trans-95.4127.8168.9-173.5-178.367.3138.86.4110Y77 V78 D138Y77-R86 HydrophobicContact CD1-CG 4.42Å; V78-R86 CarbonylContact O-C 3.58Å; V78-R86 WeakPolarHBondContact O-CA 3.13Å; R86-D138 WeakPolarHBondContact CB-OD2 3.24Å; R86-D138 PolarHBondContact N-OD2 3.06Å; R86-D138 IonicContact NE-OD1 3.2Å; R86-D138 WeakPolarHBondContact O-CB 3.48Å; R86-D138 PolarHBondContact O-N 3.29Å
87F98.8Very high96.4Very high2 Ų261.3 Ų61.31%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-109.7135.9172.7-64.4-90.2000110.8Y77 V78 I80 L85 R132 S137 D154 I158Y77-F87 CarbonylContact C-O 3.54Å; Y77-F87 VanDerWaalsContact CA-O 3.24Å; Y77-F87 WeakPolarHBondContact CA-O 3.36Å; V78-F87 HydrophobicContact CG1-CB 3.87Å; V78-F87 PolarHBondContact N-O 2.96Å; V78-F87 PolarHBondContact O-N 3.12Å; I80-F87 HydrophobicContact CG1-CD2 3.73Å; I80-F87 HydrophobicContact CG1-CE2 3.74Å; L85-F87 HydrophobicContact CB-CD2 4.47Å; L85-F87 HydrophobicContact CB-CE2 3.73Å; L85-F87 HydrophobicContact CB-CZ 4.07Å; L85-F87 HydrophobicContact CD1-CE2 4.47Å; L85-F87 HydrophobicContact CD1-CZ 4.04Å; F87-R132 HydrophobicContact CE1-CB 3.91Å; F87-R132 HydrophobicContact CZ-CB 4.46Å; F87-S137 VanDerWaalsContact CA-OG 3.31Å; F87-S137 WeakPolarHBondContact CA-OG 3.38Å; F87-D154 HydrophobicContact CE1-CB 4.34Å; F87-D154 HydrophobicContact CE2-CB 4.43Å; F87-D154 HydrophobicContact CZ-CB 3.89Å; F87-D154 WeakPolarHBondContact CZ-OD1 3.46Å; F87-D154 WeakPolarHBondContact CZ-OD2 3.14Å; F87-I158 HydrophobicContact CB-CD1 4.2Å; F87-I158 HydrophobicContact CD1-CD1 4.25Å; F87-I158 HydrophobicContact CD2-CD1 4.22Å; F87-I158 HydrophobicContact CD2-CG1 4.49Å; F87-I158 HydrophobicContact CG-CD1 3.96Å
88H98.8Very high96.4Very high0 Ų061 Ų610%031%0.312CS..EExtended strand (participates in β ladder)trans-87.1144.3167171.5-107.1000110.4H75 C76 Y77 W110 D130 E136 S137H75-H88 AromaticContact CE1-NE2 3.92Å; H75-H88 AromaticContact CG-NE2 3.66Å; H75-H88 AromaticContact ND1-CE1 3.56Å; H75-H88 AromaticContact ND1-NE2 2.93Å; H75-H88 PolarHBondContact ND1-NE2 2.88Å; C76-H88 WeakPolarHBondContact O-CA 3.42Å; C76-H88 PolarHBondContact O-CD2 2.81Å; Y77-H88 HydrophobicContact CD1-CB 3.9Å; Y77-H88 HydrophobicContact CE1-CB 3.8Å; Y77-H88 AromaticContact CE1-CD2 3.58Å; Y77-H88 AromaticContact CE1-CG 4Å; Y77-H88 AromaticContact CZ-CD2 3.76Å; H88-W110 AromaticContact CE1-CD1 3.5Å; H88-W110 AromaticContact CE1-NE1 3.58Å; H88-W110 AromaticContact ND1-CD1 3.82Å; H88-D130 HydrophobicContact CB-CB 4.31Å; H88-D130 IonicContact CE1-OD2 2.66Å; H88-D130 IonicContact CG-OD2 3.45Å; H88-D130 IonicContact ND1-OD2 2.82Å; H88-D130 PolarHBondContact ND1-OD2 3.49Å; H88-D130 PolarHBondContact O-N 2.62Å; H88-E136 HydrophobicContact CB-CB 3.64Å; H88-S137 PolarHBondContact N-OG 2.97Å
89Y98.8Very high96.4Very high17 Ų1761.1 Ų61.17%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-152.7152.5170.463.5-87.2000111.2C76 V78 A91 V127 A128 L162C76-Y89 HydrophobicContact CB-CD1 4.18Å; C76-Y89 HydrophobicContact CB-CD2 3.75Å; C76-Y89 HydrophobicContact CB-CE1 3.71Å; C76-Y89 HydrophobicContact CB-CE2 3.26Å; C76-Y89 HydrophobicContact CB-CG 4.2Å; C76-Y89 PolarHBondContact N-O 2.76Å; C76-Y89 PolarHBondContact O-N 2.7Å; V78-Y89 HydrophobicContact CB-CE1 4.1Å; V78-Y89 HydrophobicContact CG1-CD1 4.12Å; V78-Y89 HydrophobicContact CG1-CE1 3.93Å; Y89-A91 HydrophobicContact CD2-CB 3.97Å; Y89-A91 HydrophobicContact CE2-CB 3.84Å; Y89-V127 HydrophobicContact CD2-CG1 3.58Å; Y89-V127 HydrophobicContact CE2-CG1 4.34Å; Y89-V127 HydrophobicContact CG-CG1 3.98Å; Y89-A128 CarbonylContact C-O 3.57Å; Y89-A128 VanDerWaalsContact CA-O 3.23Å; Y89-A128 WeakPolarHBondContact CA-O 3.37Å; Y89-A128 WeakPolarHBondContact CB-O 3.33Å; Y89-L162 HydrophobicContact CE1-CD2 4.46Å; Y89-L162 HydrophobicContact CE2-CD2 3.92Å
90I98.8Very high96.5Very high1 Ų154.2 Ų54.21%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-93.1136165.9-60.6-52.1000109.1L72 H75 W110 L117 V127 A128L72-I90 WeakPolarHBondContact O-CG2 3.28Å; H75-I90 HydrophobicContact CB-CD1 4.15Å; H75-I90 VanDerWaalsContact CG-CD1 3.5Å; H75-I90 WeakPolarHBondContact ND1-CD1 3.16Å; I90-W110 HydrophobicContact CB-CD2 4.27Å; I90-W110 HydrophobicContact CB-CE3 4.04Å; I90-W110 HydrophobicContact CB-CZ3 4.39Å; I90-W110 HydrophobicContact CD1-CD2 4.24Å; I90-W110 HydrophobicContact CD1-CH2 4.34Å; I90-W110 HydrophobicContact CD1-CZ2 4.03Å; I90-W110 HydrophobicContact CG1-CD2 3.25Å; I90-W110 VanDerWaalsContact CG1-CE2 3.47Å; I90-W110 HydrophobicContact CG1-CE3 3.36Å; I90-W110 HydrophobicContact CG1-CG 3.78Å; I90-W110 HydrophobicContact CG1-CH2 3.87Å; I90-W110 HydrophobicContact CG1-CZ2 3.79Å; I90-W110 HydrophobicContact CG1-CZ3 3.67Å; I90-W110 HydrophobicContact CG2-CZ3 4.46Å; I90-L117 HydrophobicContact CB-CD1 4.32Å; I90-L117 HydrophobicContact CG2-CD1 4.03Å; I90-V127 CarbonylContact O-C 3.57Å; I90-V127 VanDerWaalsContact O-CA 3.29Å; I90-V127 WeakPolarHBondContact O-CA 3.37Å; I90-A128 PolarHBondContact N-O 2.92Å; I90-A128 PolarHBondContact O-N 2.99Å
91A98.4Very high96.6Very high1 Ų154 Ų541%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-128.8136.817300000112.7G73 T74 Y89 V126 V127G73-A91 WeakPolarHBondContact CA-O 3.25Å; T74-A91 PolarHBondContact N-O 2.91Å; T74-A91 PolarHBondContact O-N 3.32Å; T74-A91 PolarHBondContact OG1-O 3.07Å; Y89-A91 HydrophobicContact CD2-CB 3.97Å; Y89-A91 HydrophobicContact CE2-CB 3.84Å; A91-V126 WeakPolarHBondContact CA-O 3.05Å; A91-V127 HydrophobicContact CB-CG2 4.04Å
92A98.3Very high97.1Very high8 Ų845 Ų457%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-140.1167.1175.300000110.9K121 R125 V126A92-K121 HydrophobicContact CB-CB 4.01Å; A92-K121 HydrophobicContact CB-CD 4.12Å; A92-R125 WeakPolarHBondContact O-CD 3.42Å; A92-V126 HydrophobicContact CB-CG2 3.64Å; A92-V126 PolarHBondContact N-O 3.29Å; A92-V126 WeakPolarHBondContact O-CG2 3.44Å; A92-V126 PolarHBondContact O-N 3.33Å
93G97.6Very high97.6Very high23 Ų2338 Ų3824%0.23721%0.214CC..SBendtrans82.5159.4-174.500000112.7K121 R125G93-K121 WeakPolarHBondContact CA-O 3.49Å; G93-R125 WeakPolarHBondContact O-CD 3.47Å; G93-R125 PolarHBondContact O-NH1 2.76Å
94E96.7Very high97.9Very high127 Ų12735.7 Ų35.759%0.59320%0.198SC*.  trans-66.6143.6-174.4-71.4162.2-151.600112.2K97E94-K97 HydrophobicContact CB-CD 4.06Å; E94-K97 HydrophobicContact CB-CG 4.31Å; E94-K97 IonicContact OE1-NZ 2.86Å; E94-K97 PolarHBondContact OE1-NZ 3.4Å; E94-K97 WeakPolarHBondContact OE2-CE 3.38Å; E94-K97 IonicContact OE2-NZ 3.47Å; E94-K97 PolarHBondContact OE2-NZ 2.95Å
95R94.7Very high98Very high215 Ų21534.1 Ų34.181%0.81118%0.181SC*.THydrogen-bonded Turntrans-63.9145.4170.1-68.3-178.4178.2-109.42.3109.4K97R95-K97 VanDerWaalsContact C-N 3.32Å
96G93.9Very high98.1Very high76 Ų7633.7 Ų33.778%0.78418%0.178SC*.THydrogen-bonded Turntrans90.7-18.7-178.300000114.5
97K97.8Very high98Very high49 Ų4929.6 Ų29.621%0.21316%0.163CC..SBendtrans-67.1155167.7-70.5-175.5179.91700111E94 R95 S122 Y164E94-K97 HydrophobicContact CB-CD 4.06Å; E94-K97 HydrophobicContact CB-CG 4.31Å; E94-K97 IonicContact OE1-NZ 2.86Å; E94-K97 PolarHBondContact OE1-NZ 3.4Å; E94-K97 WeakPolarHBondContact OE2-CE 3.38Å; E94-K97 IonicContact OE2-NZ 3.47Å; E94-K97 PolarHBondContact OE2-NZ 2.95Å; R95-K97 VanDerWaalsContact C-N 3.32Å; K97-S122 WeakPolarHBondContact CE-O 3.11Å; K97-S122 PolarHBondContact NZ-O 3.43Å; K97-Y164 VanDerWaalsContact O-CE1 3.29Å; K97-Y164 WeakPolarHBondContact O-CE1 3.46Å; K97-Y164 PolarHBondContact O-OH 3.06Å
98P98.4Very high98Very high82 Ų8229.6 Ų29.653%0.53216%0.163SC..PPolyproline II helixtrans-53.7141175.3-24.934.3000112.1F124 R125P98-F124 HydrophobicContact CB-CD1 3.97Å; P98-F124 HydrophobicContact CB-CE1 4.13Å; P98-F124 CarbonylContact O-C 3.57Å; P98-F124 WeakPolarHBondContact O-CA 3.46Å; P98-F124 WeakPolarHBondContact O-CB 3.44Å; P98-F124 WeakPolarHBondContact O-CD1 3.4Å; P98-R125 PolarHBondContact O-N 3.44Å
99L98.9Very high98Very high3 Ų329.9 Ų29.92%0.01616%0.164CC..EExtended strand (participates in β ladder)trans-77.8129.6179.2177.460.9000111L101 R125 V127 V159 L162 Y164 C167 C168L99-L101 HydrophobicContact CG-CB 4.47Å; L99-R125 WeakPolarHBondContact CA-O 3.41Å; L99-R125 WeakPolarHBondContact CD1-O 3.47Å; L99-V127 HydrophobicContact CD1-CB 4.05Å; L99-V127 HydrophobicContact CD1-CG2 3.67Å; L99-V159 HydrophobicContact CD2-CG1 4.4Å; L99-V159 HydrophobicContact CD2-CG2 4.34Å; L99-L162 HydrophobicContact CD1-CD1 4.43Å; L99-L162 HydrophobicContact CD2-CD1 4.24Å; L99-Y164 HydrophobicContact CB-CD1 3.51Å; L99-Y164 HydrophobicContact CB-CD2 3.99Å; L99-Y164 HydrophobicContact CB-CE1 3.67Å; L99-Y164 HydrophobicContact CB-CE2 4.14Å; L99-Y164 HydrophobicContact CB-CG 3.67Å; L99-Y164 HydrophobicContact CD1-CE2 4.45Å; L99-Y164 HydrophobicContact CD2-CD1 4.47Å; L99-Y164 HydrophobicContact CD2-CD2 3.74Å; L99-Y164 HydrophobicContact CD2-CE2 4.43Å; L99-Y164 HydrophobicContact CD2-CG 3.76Å; L99-Y164 HydrophobicContact CG-CD2 4.31Å; L99-Y164 HydrophobicContact CG-CG 4.31Å; L99-C167 HydrophobicContact CB-CB 4.03Å; L99-C167 HydrophobicContact CD2-CB 3.77Å; L99-C167 HydrophobicContact CG-CB 3.76Å; L99-C167 WeakPolarHBondContact O-CA 3.26Å; L99-C168 PolarHBondContact O-N 3.4Å
100M98.9Very high98Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-116.1113.7163-174.4176.5-71.500108.9F102 F120 F124 R125 V126 V127 C168 V170 L358M100-F102 HydrophobicContact CB-CE2 4.38Å; M100-F102 HydrophobicContact CG-CE1 4.3Å; M100-F102 HydrophobicContact CG-CE2 3.8Å; M100-F102 HydrophobicContact CG-CZ 3.65Å; M100-F102 HydrophobicContact SD-CE1 4.06Å; M100-F102 HydrophobicContact SD-CE2 4.02Å; M100-F102 HydrophobicContact SD-CZ 3.36Å; M100-F102 WeakPolarHBondContact SD-CZ 3.4Å; M100-F120 HydrophobicContact CE-CB 4.42Å; M100-F120 HydrophobicContact CE-CD1 4.09Å; M100-F120 HydrophobicContact CE-CG 4.18Å; M100-F120 HydrophobicContact SD-CB 3.84Å; M100-F120 HydrophobicContact SD-CD1 4.23Å; M100-F120 HydrophobicContact SD-CD2 3.95Å; M100-F120 HydrophobicContact SD-CG 3.73Å; M100-F124 HydrophobicContact CB-CB 3.88Å; M100-F124 HydrophobicContact CB-CD1 3.87Å; M100-F124 HydrophobicContact CB-CG 3.95Å; M100-F124 HydrophobicContact CE-CD1 3.94Å; M100-F124 HydrophobicContact CE-CD2 3.68Å; M100-F124 HydrophobicContact CE-CE1 3.88Å; M100-F124 HydrophobicContact CE-CE2 3.62Å; M100-F124 HydrophobicContact CE-CG 3.86Å; M100-F124 HydrophobicContact CE-CZ 3.73Å; M100-R125 PolarHBondContact N-O 3.3Å; M100-V126 HydrophobicContact CB-CG1 4.35Å; M100-V126 WeakPolarHBondContact O-CA 3.41Å; M100-V127 PolarHBondContact O-N 3.37Å; M100-C168 CarbonylContact C-O 3.46Å; M100-C168 WeakPolarHBondContact CA-O 3.37Å; M100-C168 HydrophobicContact CB-CB 4.39Å; M100-C168 HydrophobicContact CE-CB 4.38Å; M100-C168 HydrophobicContact CG-CB 4.27Å; M100-V170 HydrophobicContact CG-CG2 3.9Å; M100-V170 HydrophobicContact SD-CG2 4.3Å; M100-L358 HydrophobicContact CE-CD1 3.7Å; M100-L358 HydrophobicContact CE-CD2 4.24Å
101L98.9Very high98Very high1 Ų129.4 Ų29.41%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-106.6128.2-173.6-17369.1000110.2L99 L103 V127 V129 V155 V159 C167 C168 L169 V170L99-L101 HydrophobicContact CG-CB 4.47Å; L101-L103 HydrophobicContact CD2-CD2 4.42Å; L101-L103 HydrophobicContact CG-CD2 4.39Å; L101-V127 CarbonylContact C-O 3.56Å; L101-V127 WeakPolarHBondContact CA-O 3.23Å; L101-V127 HydrophobicContact CD1-CB 3.79Å; L101-V127 HydrophobicContact CD1-CG1 3.63Å; L101-V129 HydrophobicContact CD1-CG2 3.63Å; L101-V155 HydrophobicContact CD2-CG1 3.88Å; L101-V159 HydrophobicContact CD2-CG2 3.66Å; L101-C167 HydrophobicContact CB-CB 4.44Å; L101-C168 PolarHBondContact N-O 2.88Å; L101-L169 HydrophobicContact CB-CD1 4.04Å; L101-L169 HydrophobicContact CD2-CD1 3.92Å; L101-L169 HydrophobicContact CG-CD1 4.18Å; L101-V170 PolarHBondContact O-N 2.85Å
102F98.9Very high98Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-111127.8-178-59.6-88.6000111.6M100 W113 Q116 L117 F120 V126 V127 A128 V129 V170M100-F102 HydrophobicContact CB-CE2 4.38Å; M100-F102 HydrophobicContact CG-CE1 4.3Å; M100-F102 HydrophobicContact CG-CE2 3.8Å; M100-F102 HydrophobicContact CG-CZ 3.65Å; M100-F102 HydrophobicContact SD-CE1 4.06Å; M100-F102 HydrophobicContact SD-CE2 4.02Å; M100-F102 HydrophobicContact SD-CZ 3.36Å; M100-F102 WeakPolarHBondContact SD-CZ 3.4Å; F102-W113 HydrophobicContact CB-CB 4.28Å; F102-W113 HydrophobicContact CB-CD2 3.84Å; F102-W113 HydrophobicContact CB-CG 3.65Å; F102-W113 HydrophobicContact CD1-CB 4.48Å; F102-W113 AromaticContact CD1-CD2 3.7Å; F102-W113 HydrophobicContact CD1-CD2 3.7Å; F102-W113 AromaticContact CD1-CE3 3.6Å; F102-W113 HydrophobicContact CD1-CE3 3.6Å; F102-W113 HydrophobicContact CD1-CG 4.11Å; F102-W113 HydrophobicContact CD1-CZ3 4.06Å; F102-W113 HydrophobicContact CE1-CE3 4.18Å; F102-W113 HydrophobicContact CG-CB 4.34Å; F102-W113 HydrophobicContact CG-CD2 4.09Å; F102-W113 HydrophobicContact CG-CE3 4.42Å; F102-W113 HydrophobicContact CG-CG 4.05Å; F102-Q116 HydrophobicContact CD1-CB 4.42Å; F102-Q116 HydrophobicContact CE1-CB 3.66Å; F102-Q116 HydrophobicContact CE1-CG 4.24Å; F102-Q116 HydrophobicContact CZ-CB 3.84Å; F102-L117 HydrophobicContact CD2-CD2 4.35Å; F102-L117 HydrophobicContact CE2-CD2 4.45Å; F102-F120 HydrophobicContact CZ-CD2 4.16Å; F102-V126 HydrophobicContact CE2-CB 3.92Å; F102-V126 HydrophobicContact CE2-CG1 3.99Å; F102-V127 WeakPolarHBondContact CD2-O 3.49Å; F102-V127 PolarHBondContact N-O 2.95Å; F102-A128 HydrophobicContact CB-CB 4.1Å; F102-V129 PolarHBondContact O-N 3.22Å; F102-V170 CarbonylContact C-O 3.56Å; F102-V170 WeakPolarHBondContact CA-O 3.48Å; F102-V170 HydrophobicContact CD1-CB 3.55Å; F102-V170 HydrophobicContact CD1-CG1 3.74Å; F102-V170 HydrophobicContact CD1-CG2 3.94Å; F102-V170 HydrophobicContact CE1-CB 3.9Å; F102-V170 HydrophobicContact CE1-CG1 3.97Å; F102-V170 HydrophobicContact CE1-CG2 3.79Å; F102-V170 HydrophobicContact CG-CB 4.35Å; F102-V170 HydrophobicContact CZ-CG2 4.48Å
103L98.9Very high98Very high3 Ų329 Ų292%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-117.1113.8177.3-52.3-178.2000109.4L101 W113 V129 M131 V155 L169 V170 G171 H172 I178 A179L101-L103 HydrophobicContact CD2-CD2 4.42Å; L101-L103 HydrophobicContact CG-CD2 4.39Å; L103-W113 WeakPolarHBondContact O-CZ2 3.49Å; L103-V129 HydrophobicContact CD2-CB 4.49Å; L103-M131 HydrophobicContact CB-SD 4.31Å; L103-V155 HydrophobicContact CD1-CG1 4.38Å; L103-V155 HydrophobicContact CD1-CG2 3.76Å; L103-V155 HydrophobicContact CD2-CG2 4.11Å; L103-L169 HydrophobicContact CD1-CD1 3.93Å; L103-L169 HydrophobicContact CG-CD1 4.1Å; L103-V170 PolarHBondContact N-O 3.18Å; L103-G171 WeakPolarHBondContact O-CA 3.44Å; L103-H172 PolarHBondContact O-N 3.33Å; L103-I178 HydrophobicContact CD1-CB 4.45Å; L103-I178 HydrophobicContact CD1-CG2 4.03Å; L103-A179 HydrophobicContact CD1-CB 4.35Å
104H98.8Very high98Very high0 Ų028.2 Ų28.20%015%0.149CC..  trans-77.5178.717870.482.7000112.1E108 F109 V129 M131 Y134 H172 G175H104-E108 HydrophobicContact CB-CB 4.09Å; H104-E108 PolarHBondContact CE1-O 2.82Å; H104-E108 VanDerWaalsContact CE1-O 3.29Å; H104-E108 PolarHBondContact ND1-O 3.27Å; H104-F109 VanDerWaalsContact CD2-CA 3.48Å; H104-F109 WeakPolarHBondContact CD2-CA 3.43Å; H104-V129 PolarHBondContact CD2-O 3.32Å; H104-M131 PolarHBondContact NE2-N 2.99Å; H104-M131 WeakPolarHBondContact O-CE 3.47Å; H104-M131 VanDerWaalsContact O-SD 3.38Å; H104-Y134 AromaticContact CE1-CD1 3.56Å; H104-Y134 AromaticContact CE1-CD2 3.75Å; H104-Y134 AromaticContact CE1-CE1 3.98Å; H104-Y134 AromaticContact CE1-CG 3.42Å; H104-Y134 VanDerWaalsContact CE1-CG 3.42Å; H104-H172 CarbonylContact C-O 3.57Å; H104-G175 WeakPolarHBondContact O-CA 3.36Å; H104-G175 PolarHBondContact O-N 2.86Å
105G98.1Very high98.1Very high0 Ų024 Ų240%013%0.128CC..  trans-121.7-157.1172.300000114.3E108 H172 D173G105-E108 PolarHBondContact N-OE2 3.22Å; G105-E108 WeakPolarHBondContact O-CA 3.39Å; G105-E108 WeakPolarHBondContact O-CB 3.37Å; G105-E108 PolarHBondContact O-N 3.38Å; G105-H172 PolarHBondContact N-O 3.42Å; G105-D173 WeakPolarHBondContact CA-OD1 3.19Å
106F98.1Very high98.3Very high14 Ų1413.8 Ų13.86%0.0619%0.089CC..THydrogen-bonded Turntrans-89.9141.6177174.8-89.3000111.4D173 F224 L234 A281 L282 Y285 W341F106-D173 PolarHBondContact N-OD1 3.07Å; F106-F224 AromaticContact CE1-CE2 3.82Å; F106-F224 HydrophobicContact CE1-CE2 3.82Å; F106-F224 HydrophobicContact CE1-CZ 4.05Å; F106-F224 AromaticContact CZ-CE2 3.9Å; F106-F224 HydrophobicContact CZ-CE2 3.9Å; F106-F224 AromaticContact CZ-CZ 4Å; F106-F224 HydrophobicContact CZ-CZ 4Å; F106-L234 HydrophobicContact CZ-CD1 4.14Å; F106-A281 HydrophobicContact CD2-CB 3.84Å; F106-A281 HydrophobicContact CE2-CB 3.96Å; F106-L282 HydrophobicContact CE2-CD2 3.91Å; F106-L282 HydrophobicContact CE2-CG 4.39Å; F106-L282 HydrophobicContact CZ-CD2 4.07Å; F106-Y285 HydrophobicContact CB-CE2 3.9Å; F106-Y285 VanDerWaalsContact CB-OH 3.31Å; F106-Y285 WeakPolarHBondContact CB-OH 3.26Å; F106-Y285 HydrophobicContact CD1-CE2 4.04Å; F106-Y285 VanDerWaalsContact CD1-OH 3.24Å; F106-Y285 WeakPolarHBondContact CD1-OH 3.47Å; F106-Y285 AromaticContact CD2-CE2 3.76Å; F106-Y285 HydrophobicContact CD2-CE2 3.76Å; F106-Y285 HydrophobicContact CE2-CE2 4.3Å; F106-Y285 AromaticContact CG-CE2 3.62Å; F106-Y285 HydrophobicContact CG-CE2 3.62Å; F106-Y285 AromaticContact CG-CZ 3.96Å; F106-Y285 WeakPolarHBondContact CG-OH 3.37Å; F106-W341 WeakPolarHBondContact O-CH2 3.35Å
107P97.3Very high98.5Very high0 Ų010.1 Ų10.10%05%0.052CC..THydrogen-bonded Turncis-97.560.6-14.835.2-26.8000109.4L242 L245 F246 L272P107-L242 HydrophobicContact CB-CD2 4.22Å; P107-L242 HydrophobicContact CG-CD2 3.85Å; P107-L245 VanDerWaalsContact CD-CD2 3.47Å; P107-L245 HydrophobicContact CG-CD2 3.47Å; P107-L245 VanDerWaalsContact CG-CD2 3.47Å; P107-F246 HydrophobicContact CG-CE2 4.06Å; P107-F246 HydrophobicContact CG-CZ 3.85Å; P107-L272 HydrophobicContact CB-CD1 3.86Å; P107-L272 HydrophobicContact CB-CD2 3.86Å; P107-L272 HydrophobicContact CG-CD1 4.31Å; P107-L272 WeakPolarHBondContact O-CD1 3.02Å
108E98.3Very high98.5Very high1 Ų112.6 Ų12.61%0.0056%0.06CC..  trans-99-173.5-178.9-58-176123.600111.2H104 G105 S112 Y134 H172 F246 Y268 W341 Q343 Q344H104-E108 HydrophobicContact CB-CB 4.09Å; H104-E108 PolarHBondContact CE1-O 2.82Å; H104-E108 VanDerWaalsContact CE1-O 3.29Å; H104-E108 PolarHBondContact ND1-O 3.27Å; G105-E108 PolarHBondContact N-OE2 3.22Å; G105-E108 WeakPolarHBondContact O-CA 3.39Å; G105-E108 WeakPolarHBondContact O-CB 3.37Å; G105-E108 PolarHBondContact O-N 3.38Å; E108-S112 WeakPolarHBondContact OE1-CB 3.24Å; E108-S112 PolarHBondContact OE2-OG 3.44Å; E108-Y134 WeakPolarHBondContact O-CD1 3.43Å; E108-Y134 WeakPolarHBondContact O-CE1 3.02Å; E108-H172 IonicContact OE2-CE1 2.78Å; E108-H172 IonicContact OE2-ND1 3.7Å; E108-H172 PolarHBondContact OE2-ND1 3.28Å; E108-H172 VanDerWaalsContact OE2-ND1 3.15Å; E108-F246 HydrophobicContact CG-CE1 4.4Å; E108-Y268 HydrophobicContact CB-CE1 4.23Å; E108-Y268 HydrophobicContact CG-CE1 4.37Å; E108-W341 HydrophobicContact CG-CE3 4.08Å; E108-W341 HydrophobicContact CG-CZ3 3.67Å; E108-Q343 PolarHBondContact OE1-NE2 3.38Å; E108-Q343 PolarHBondContact OE2-NE2 2.79Å; E108-Q344 PolarHBondContact OE1-NE2 3.3Å
109F98.7Very high98.5Very high6 Ų612.4 Ų12.43%0.0265%0.052CC..  trans-155.6-172.9169.270.9-72.5000107.3L67 H104 F111 S112 D130 A267 Y268 A271L67-F109 HydrophobicContact CD1-CZ 4.48Å; L67-F109 HydrophobicContact CD2-CE2 3.96Å; L67-F109 HydrophobicContact CD2-CZ 3.69Å; H104-F109 VanDerWaalsContact CD2-CA 3.48Å; H104-F109 WeakPolarHBondContact CD2-CA 3.43Å; F109-F111 HydrophobicContact CD1-CB 4.29Å; F109-F111 HydrophobicContact CD2-CB 4.1Å; F109-F111 HydrophobicContact CE1-CB 3.72Å; F109-F111 HydrophobicContact CE2-CB 3.52Å; F109-F111 HydrophobicContact CG-CB 4.45Å; F109-F111 HydrophobicContact CZ-CB 3.31Å; F109-F111 HydrophobicContact CZ-CD1 4.4Å; F109-F111 HydrophobicContact CZ-CG 4.03Å; F109-F111 PolarHBondContact O-N 3.06Å; F109-S112 PolarHBondContact O-N 3.27Å; F109-S112 PolarHBondContact O-OG 3.2Å; F109-D130 WeakPolarHBondContact CB-OD1 3.39Å; F109-A267 HydrophobicContact CZ-CB 4.4Å; F109-Y268 AromaticContact CD1-CD1 3.83Å; F109-Y268 HydrophobicContact CD1-CD1 3.83Å; F109-Y268 AromaticContact CD1-CE1 3.93Å; F109-Y268 HydrophobicContact CD1-CE1 3.93Å; F109-Y268 AromaticContact CE1-CD1 3.72Å; F109-Y268 HydrophobicContact CE1-CD1 3.72Å; F109-Y268 AromaticContact CE1-CE1 3.9Å; F109-Y268 HydrophobicContact CE1-CE1 3.9Å; F109-Y268 HydrophobicContact CE1-CG 4.34Å; F109-A271 HydrophobicContact CD1-CB 3.88Å; F109-A271 HydrophobicContact CE1-CB 3.95Å; F109-A271 HydrophobicContact CG-CB 4.18Å; F109-A271 HydrophobicContact CZ-CB 4.27Å
110W98.8Very high98.5Very high7 Ų712.3 Ų12.33%0.0275%0.051CC..G310 helixtrans-46-32.8-174.674.4-101.1000114.2L67 L72 H88 I90 S112 W113 L117 A128 D130L67-W110 HydrophobicContact CD2-CZ2 4.19Å; L72-W110 HydrophobicContact CB-CH2 4.45Å; L72-W110 HydrophobicContact CB-CZ3 4.23Å; L72-W110 HydrophobicContact CD1-CH2 3.8Å; L72-W110 HydrophobicContact CD1-CZ3 3.86Å; H88-W110 AromaticContact CE1-CD1 3.5Å; H88-W110 AromaticContact CE1-NE1 3.58Å; H88-W110 AromaticContact ND1-CD1 3.82Å; I90-W110 HydrophobicContact CB-CD2 4.27Å; I90-W110 HydrophobicContact CB-CE3 4.04Å; I90-W110 HydrophobicContact CB-CZ3 4.39Å; I90-W110 HydrophobicContact CD1-CD2 4.24Å; I90-W110 HydrophobicContact CD1-CH2 4.34Å; I90-W110 HydrophobicContact CD1-CZ2 4.03Å; I90-W110 HydrophobicContact CG1-CD2 3.25Å; I90-W110 VanDerWaalsContact CG1-CE2 3.47Å; I90-W110 HydrophobicContact CG1-CE3 3.36Å; I90-W110 HydrophobicContact CG1-CG 3.78Å; I90-W110 HydrophobicContact CG1-CH2 3.87Å; I90-W110 HydrophobicContact CG1-CZ2 3.79Å; I90-W110 HydrophobicContact CG1-CZ3 3.67Å; I90-W110 HydrophobicContact CG2-CZ3 4.46Å; W110-S112 PolarHBondContact O-N 3.49Å; W110-S112 VanDerWaalsContact O-N 3.17Å; W110-W113 WeakPolarHBondContact O-CB 3.36Å; W110-W113 PolarHBondContact O-N 2.87Å; W110-L117 HydrophobicContact CE3-CD1 3.87Å; W110-L117 HydrophobicContact CZ3-CD1 3.99Å; W110-A128 HydrophobicContact CB-CB 3.96Å; W110-D130 WeakPolarHBondContact CB-OD1 3.44Å; W110-D130 PolarHBondContact N-OD1 2.77Å
111F98.7Very high98.4Very high2 Ų215.7 Ų15.71%0.0097%0.066CC..G310 helixtrans-63.8-18.5-175.8-170-109.1000114.4C66 L67 L72 F109 W113 R114 D264 A267 Y268C66-F111 HydrophobicContact CB-CE2 4.18Å; C66-F111 HydrophobicContact CB-CZ 3.92Å; C66-F111 VanDerWaalsContact SG-CZ 3.58Å; L67-F111 HydrophobicContact CD2-CB 4.35Å; L67-F111 HydrophobicContact CD2-CD2 3.74Å; L67-F111 HydrophobicContact CD2-CE2 4.11Å; L67-F111 HydrophobicContact CD2-CG 3.97Å; L72-F111 HydrophobicContact CD1-CD2 4.26Å; L72-F111 HydrophobicContact CD1-CE2 3.97Å; F109-F111 HydrophobicContact CD1-CB 4.29Å; F109-F111 HydrophobicContact CD2-CB 4.1Å; F109-F111 HydrophobicContact CE1-CB 3.72Å; F109-F111 HydrophobicContact CE2-CB 3.52Å; F109-F111 HydrophobicContact CG-CB 4.45Å; F109-F111 HydrophobicContact CZ-CB 3.31Å; F109-F111 HydrophobicContact CZ-CD1 4.4Å; F109-F111 HydrophobicContact CZ-CG 4.03Å; F109-F111 PolarHBondContact O-N 3.06Å; F111-W113 PolarHBondContact O-N 2.82Å; F111-R114 HydrophobicContact CD2-CB 4.3Å; F111-R114 HydrophobicContact CE2-CB 4.32Å; F111-R114 WeakPolarHBondContact O-CB 3.45Å; F111-R114 WeakPolarHBondContact O-CD 3.46Å; F111-R114 WeakPolarHBondContact O-CG 3.35Å; F111-R114 PolarHBondContact O-N 2.88Å; F111-R114 PolarHBondContact O-NH1 2.78Å; F111-D264 HydrophobicContact CE1-CB 4.16Å; F111-D264 WeakPolarHBondContact CZ-OD1 3.3Å; F111-A267 HydrophobicContact CD1-CB 4.15Å; F111-A267 HydrophobicContact CE1-CB 4.04Å; F111-Y268 HydrophobicContact CD1-CE2 4.19Å
112S98.4Very high98.3Very high0 Ų018.5 Ų18.50%09%0.086CC..G310 helixtrans-63-21.6171.663.80000113.3E108 F109 W110 Y268 Q343E108-S112 WeakPolarHBondContact OE1-CB 3.24Å; E108-S112 PolarHBondContact OE2-OG 3.44Å; F109-S112 PolarHBondContact O-N 3.27Å; F109-S112 PolarHBondContact O-OG 3.2Å; W110-S112 PolarHBondContact O-N 3.49Å; W110-S112 VanDerWaalsContact O-N 3.17Å; S112-Y268 VanDerWaalsContact CA-OH 3.23Å; S112-Y268 WeakPolarHBondContact CA-OH 3.47Å; S112-Y268 PolarHBondContact N-OH 3.38Å; S112-Q343 WeakPolarHBondContact O-CG 3.3Å
113W98.8Very high98.3Very high0 Ų024 Ų240%011%0.111CC..G310 helixtrans-93.69.5178.2-59.9109.7000114.2F102 L103 W110 F111 Y115 Q116 L117 A128 V170 H172 L196 Q343F102-W113 HydrophobicContact CB-CB 4.28Å; F102-W113 HydrophobicContact CB-CD2 3.84Å; F102-W113 HydrophobicContact CB-CG 3.65Å; F102-W113 HydrophobicContact CD1-CB 4.48Å; F102-W113 AromaticContact CD1-CD2 3.7Å; F102-W113 HydrophobicContact CD1-CD2 3.7Å; F102-W113 AromaticContact CD1-CE3 3.6Å; F102-W113 HydrophobicContact CD1-CE3 3.6Å; F102-W113 HydrophobicContact CD1-CG 4.11Å; F102-W113 HydrophobicContact CD1-CZ3 4.06Å; F102-W113 HydrophobicContact CE1-CE3 4.18Å; F102-W113 HydrophobicContact CG-CB 4.34Å; F102-W113 HydrophobicContact CG-CD2 4.09Å; F102-W113 HydrophobicContact CG-CE3 4.42Å; F102-W113 HydrophobicContact CG-CG 4.05Å; L103-W113 WeakPolarHBondContact O-CZ2 3.49Å; W110-W113 WeakPolarHBondContact O-CB 3.36Å; W110-W113 PolarHBondContact O-N 2.87Å; F111-W113 PolarHBondContact O-N 2.82Å; W113-Y115 PolarHBondContact O-N 3.05Å; W113-Q116 HydrophobicContact CE3-CB 4.25Å; W113-Q116 HydrophobicContact CE3-CG 3.97Å; W113-Q116 HydrophobicContact CZ3-CG 4.36Å; W113-Q116 PolarHBondContact O-N 3.19Å; W113-L117 HydrophobicContact CB-CG 4.38Å; W113-L117 WeakPolarHBondContact O-CG 3.45Å; W113-L117 PolarHBondContact O-N 3.37Å; W113-A128 HydrophobicContact CB-CB 4.22Å; W113-V170 HydrophobicContact CH2-CG1 3.8Å; W113-V170 HydrophobicContact CZ3-CG1 3.93Å; W113-H172 HydrophobicContact CH2-CB 3.79Å; W113-H172 HydrophobicContact CZ2-CB 3.64Å; W113-L196 HydrophobicContact CH2-CD1 4.45Å; W113-L196 HydrophobicContact CH2-CD2 3.98Å; W113-L196 HydrophobicContact CZ3-CD2 3.9Å; W113-Q343 HydrophobicContact CE3-CB 3.93Å; W113-Q343 HydrophobicContact CE3-CG 4.06Å; W113-Q343 HydrophobicContact CH2-CB 4.43Å; W113-Q343 HydrophobicContact CH2-CG 4.41Å; W113-Q343 HydrophobicContact CZ3-CB 3.67Å; W113-Q343 HydrophobicContact CZ3-CG 3.98Å
114R98.3Very high98.3Very high6 Ų625.1 Ų25.12%0.02312%0.116CC..Hα-helixtrans-53-33.5-174.666.1-168175.1-73.82.7114.5L72 F111 R118 L260 D264 Y268 Q344L72-R114 HydrophobicContact CD1-CB 4.05Å; L72-R114 HydrophobicContact CD2-CB 3.83Å; L72-R114 WeakPolarHBondContact CD2-O 3.14Å; F111-R114 HydrophobicContact CD2-CB 4.3Å; F111-R114 HydrophobicContact CE2-CB 4.32Å; F111-R114 WeakPolarHBondContact O-CB 3.45Å; F111-R114 WeakPolarHBondContact O-CD 3.46Å; F111-R114 WeakPolarHBondContact O-CG 3.35Å; F111-R114 PolarHBondContact O-N 2.88Å; F111-R114 PolarHBondContact O-NH1 2.78Å; R114-R118 WeakPolarHBondContact O-CG 3.49Å; R114-R118 PolarHBondContact O-N 2.91Å; R114-L260 VanDerWaalsContact NH2-CD2 3.34Å; R114-D264 IonicContact CZ-OD2 3Å; R114-D264 IonicContact NE-OD1 3.15Å; R114-D264 IonicContact NE-OD2 3.98Å; R114-D264 PolarHBondContact NE-OD2 3.5Å; R114-D264 IonicContact NH2-OD2 3.34Å; R114-D264 PolarHBondContact NH2-OD2 3.33Å; R114-Y268 PolarHBondContact NH1-OH 3.15Å; R114-Q344 VanDerWaalsContact NH2-OE1 3.16Å
115Y97.8Very high98.3Very high39 Ų3926.6 Ų26.615%0.15312%0.122CC..Hα-helixtrans-75.3-39.6176.9-61.7-71.4000112.2W113 R118 E119 P347W113-Y115 PolarHBondContact O-N 3.05Å; Y115-R118 PolarHBondContact O-N 3.03Å; Y115-E119 WeakPolarHBondContact O-CB 3.19Å; Y115-E119 PolarHBondContact O-N 3.15Å; Y115-E119 VanDerWaalsContact O-N 3.15Å; Y115-P347 HydrophobicContact CD1-CB 4.26Å; Y115-P347 HydrophobicContact CD1-CG 4.19Å; Y115-P347 HydrophobicContact CD2-CB 3.91Å; Y115-P347 HydrophobicContact CD2-CG 4.04Å; Y115-P347 HydrophobicContact CE2-CG 4.36Å; Y115-P347 HydrophobicContact CG-CB 3.65Å; Y115-P347 HydrophobicContact CG-CG 3.94Å
116Q98.7Very high98.3Very high0 Ų026.6 Ų26.60%012%0.122CC..Hα-helixtrans-73.3-37.2179.7-68.465.840.900111.4F102 W113 R118 E119 F120 Q343 N351F102-Q116 HydrophobicContact CD1-CB 4.42Å; F102-Q116 HydrophobicContact CE1-CB 3.66Å; F102-Q116 HydrophobicContact CE1-CG 4.24Å; F102-Q116 HydrophobicContact CZ-CB 3.84Å; W113-Q116 HydrophobicContact CE3-CB 4.25Å; W113-Q116 HydrophobicContact CE3-CG 3.97Å; W113-Q116 HydrophobicContact CZ3-CG 4.36Å; W113-Q116 PolarHBondContact O-N 3.19Å; Q116-R118 VanDerWaalsContact C-N 3.31Å; Q116-R118 PolarHBondContact O-N 3.32Å; Q116-E119 PolarHBondContact O-N 2.91Å; Q116-F120 HydrophobicContact CB-CD2 4.02Å; Q116-F120 HydrophobicContact CB-CE2 4.12Å; Q116-F120 HydrophobicContact CG-CE2 4.14Å; Q116-F120 VanDerWaalsContact O-CD2 3.23Å; Q116-F120 WeakPolarHBondContact O-CD2 3.37Å; Q116-F120 PolarHBondContact O-N 3.44Å; Q116-Q343 PolarHBondContact NE2-O 3.2Å; Q116-Q343 VanDerWaalsContact NE2-O 3.14Å; Q116-N351 WeakPolarHBondContact CG-OD1 3.42Å; Q116-N351 PolarHBondContact NE2-OD1 3.49Å
117L98.6Very high98.3Very high0 Ų025.9 Ų25.90%012%0.119CC..Hα-helixtrans-57.2-44172.9-74.4173.9000111.6I90 F102 W110 W113 K121 V126 A128I90-L117 HydrophobicContact CB-CD1 4.32Å; I90-L117 HydrophobicContact CG2-CD1 4.03Å; F102-L117 HydrophobicContact CD2-CD2 4.35Å; F102-L117 HydrophobicContact CE2-CD2 4.45Å; W110-L117 HydrophobicContact CE3-CD1 3.87Å; W110-L117 HydrophobicContact CZ3-CD1 3.99Å; W113-L117 HydrophobicContact CB-CG 4.38Å; W113-L117 WeakPolarHBondContact O-CG 3.45Å; W113-L117 PolarHBondContact O-N 3.37Å; L117-K121 WeakPolarHBondContact O-CB 3.45Å; L117-V126 HydrophobicContact CD2-CB 3.96Å; L117-V126 HydrophobicContact CD2-CG2 3.74Å; L117-A128 HydrophobicContact CD1-CB 3.96Å; L117-A128 HydrophobicContact CD2-CB 3.89Å; L117-A128 HydrophobicContact CG-CB 4.2Å
118R97.8Very high98.4Very high100 Ų10025.9 Ų25.938%0.37712%0.119SC..Hα-helixtrans-67.1-40.1177-70.9-177.1-178133-0112.5D69 S71 L72 R114 Y115 Q116 K121D69-R118 IonicContact OD2-CZ 3.83Å; D69-R118 IonicContact OD2-NE 3.46Å; D69-R118 IonicContact OD2-NH2 3.7Å; D69-R118 PolarHBondContact OD2-NH2 2.72Å; S71-R118 PolarHBondContact OG-NE 2.91Å; L72-R118 HydrophobicContact CD2-CG 3.64Å; L72-R118 VanDerWaalsContact CD2-CZ 3.47Å; R114-R118 WeakPolarHBondContact O-CG 3.49Å; R114-R118 PolarHBondContact O-N 2.91Å; Y115-R118 PolarHBondContact O-N 3.03Å; Q116-R118 VanDerWaalsContact C-N 3.31Å; Q116-R118 PolarHBondContact O-N 3.32Å; R118-K121 WeakPolarHBondContact O-CG 3.36Å
119E98.4Very high98.4Very high79 Ų7926 Ų2637%0.36912%0.12SC..Hα-helixtrans-70.3-50.6-174.6-177.867.9-160.600112.8Y115 Q116 N351 W355Y115-E119 WeakPolarHBondContact O-CB 3.19Å; Y115-E119 PolarHBondContact O-N 3.15Å; Y115-E119 VanDerWaalsContact O-N 3.15Å; Q116-E119 PolarHBondContact O-N 2.91Å; E119-N351 WeakPolarHBondContact CB-ND2 3.28Å; E119-N351 HydrophobicContact CG-CB 3.94Å; E119-N351 WeakPolarHBondContact CG-ND2 3.47Å; E119-W355 PolarHBondContact OE1-NE1 3.14Å
120F98.6Very high98.5Very high0 Ų025.8 Ų25.80%012%0.119CC..Hα-helixtrans-90.9-8.5-166.1-65-71.4000113.9M100 F102 Q116 S122 E123 F124 V126 N351 I354 W355 L358M100-F120 HydrophobicContact CE-CB 4.42Å; M100-F120 HydrophobicContact CE-CD1 4.09Å; M100-F120 HydrophobicContact CE-CG 4.18Å; M100-F120 HydrophobicContact SD-CB 3.84Å; M100-F120 HydrophobicContact SD-CD1 4.23Å; M100-F120 HydrophobicContact SD-CD2 3.95Å; M100-F120 HydrophobicContact SD-CG 3.73Å; F102-F120 HydrophobicContact CZ-CD2 4.16Å; Q116-F120 HydrophobicContact CB-CD2 4.02Å; Q116-F120 HydrophobicContact CB-CE2 4.12Å; Q116-F120 HydrophobicContact CG-CE2 4.14Å; Q116-F120 VanDerWaalsContact O-CD2 3.23Å; Q116-F120 WeakPolarHBondContact O-CD2 3.37Å; Q116-F120 PolarHBondContact O-N 3.44Å; F120-S122 PolarHBondContact O-N 2.94Å; F120-S122 VanDerWaalsContact O-N 3.11Å; F120-E123 PolarHBondContact O-N 3.23Å; F120-F124 HydrophobicContact CB-CD2 4.23Å; F120-F124 WeakPolarHBondContact O-CB 3.24Å; F120-F124 PolarHBondContact O-N 2.99Å; F120-V126 HydrophobicContact CB-CG1 3.65Å; F120-N351 HydrophobicContact CZ-CB 4.27Å; F120-I354 HydrophobicContact CE1-CB 4.25Å; F120-I354 HydrophobicContact CE1-CG2 3.54Å; F120-I354 HydrophobicContact CE2-CB 4.48Å; F120-I354 HydrophobicContact CE2-CD1 4.2Å; F120-I354 HydrophobicContact CE2-CG2 4.09Å; F120-I354 HydrophobicContact CZ-CB 3.67Å; F120-I354 HydrophobicContact CZ-CD1 4.22Å; F120-I354 HydrophobicContact CZ-CG2 3.32Å; F120-W355 HydrophobicContact CD1-CD2 4.11Å; F120-W355 AromaticContact CD1-CE2 3.57Å; F120-W355 HydrophobicContact CD1-CE3 4.46Å; F120-W355 AromaticContact CD1-CH2 3.78Å; F120-W355 HydrophobicContact CD1-CH2 3.78Å; F120-W355 AromaticContact CD1-CZ2 3.39Å; F120-W355 HydrophobicContact CD1-CZ2 3.39Å; F120-W355 HydrophobicContact CD1-CZ3 4.3Å; F120-W355 AromaticContact CE1-CD1 3.85Å; F120-W355 AromaticContact CE1-CD2 3.61Å; F120-W355 HydrophobicContact CE1-CD2 3.61Å; F120-W355 AromaticContact CE1-CE2 3.34Å; F120-W355 HydrophobicContact CE1-CE3 4.21Å; F120-W355 AromaticContact CE1-CG 3.92Å; F120-W355 HydrophobicContact CE1-CG 3.92Å; F120-W355 HydrophobicContact CE1-CH2 4.28Å; F120-W355 AromaticContact CE1-CZ2 3.73Å; F120-W355 HydrophobicContact CE1-CZ2 3.73Å; F120-W355 AromaticContact CE1-NE1 3.53Å; F120-W355 HydrophobicContact CG-CZ2 4.42Å; F120-L358 HydrophobicContact CD1-CD1 4.31Å; F120-L358 HydrophobicContact CE1-CD1 4.09Å
121K97.9Very high98.4Very high71 Ų7126 Ų2631%0.30912%0.12SC..THydrogen-bonded Turntrans-64.1-15.8-175.968.8-178.5178.4177.70115.1S71 A92 G93 L117 R118 F124 V126S71-K121 PolarHBondContact O-NZ 3.3Å; A92-K121 HydrophobicContact CB-CB 4.01Å; A92-K121 HydrophobicContact CB-CD 4.12Å; G93-K121 WeakPolarHBondContact CA-O 3.49Å; L117-K121 WeakPolarHBondContact O-CB 3.45Å; R118-K121 WeakPolarHBondContact O-CG 3.36Å; K121-F124 CarbonylContact C-O 3.57Å; K121-F124 WeakPolarHBondContact CA-O 3.44Å; K121-V126 HydrophobicContact CB-CG2 3.81Å
122S97.1Very high98.4Very high61 Ų6126.4 Ų26.443%0.42712%0.121SC..THydrogen-bonded Turntrans-74-35.1177.1610000112.4K97 F120K97-S122 WeakPolarHBondContact CE-O 3.11Å; K97-S122 PolarHBondContact NZ-O 3.43Å; F120-S122 PolarHBondContact O-N 2.94Å; F120-S122 VanDerWaalsContact O-N 3.11Å
123E98.2Very high98.4Very high115 Ų11526.5 Ų26.554%0.53712%0.122SC..THydrogen-bonded Turntrans-108.3-21.6-178-57.9-56.3141.100113.1F120 W355F120-E123 PolarHBondContact O-N 3.23Å; E123-W355 HydrophobicContact CB-CH2 3.8Å; E123-W355 HydrophobicContact CB-CZ3 4.34Å; E123-W355 HydrophobicContact CG-CH2 3.51Å; E123-W355 HydrophobicContact CG-CZ2 4.48Å; E123-W355 HydrophobicContact CG-CZ3 4.09Å
124F98.7Very high98.4Very high27 Ų2726.8 Ų26.812%0.11812%0.124CC..SBendtrans-119.9150.8-177.4-64.5-91.7000111.5P98 M100 F120 K121 V126 W355 L358P98-F124 HydrophobicContact CB-CD1 3.97Å; P98-F124 HydrophobicContact CB-CE1 4.13Å; P98-F124 CarbonylContact O-C 3.57Å; P98-F124 WeakPolarHBondContact O-CA 3.46Å; P98-F124 WeakPolarHBondContact O-CB 3.44Å; P98-F124 WeakPolarHBondContact O-CD1 3.4Å; M100-F124 HydrophobicContact CB-CB 3.88Å; M100-F124 HydrophobicContact CB-CD1 3.87Å; M100-F124 HydrophobicContact CB-CG 3.95Å; M100-F124 HydrophobicContact CE-CD1 3.94Å; M100-F124 HydrophobicContact CE-CD2 3.68Å; M100-F124 HydrophobicContact CE-CE1 3.88Å; M100-F124 HydrophobicContact CE-CE2 3.62Å; M100-F124 HydrophobicContact CE-CG 3.86Å; M100-F124 HydrophobicContact CE-CZ 3.73Å; F120-F124 HydrophobicContact CB-CD2 4.23Å; F120-F124 WeakPolarHBondContact O-CB 3.24Å; F120-F124 PolarHBondContact O-N 2.99Å; K121-F124 CarbonylContact C-O 3.57Å; K121-F124 WeakPolarHBondContact CA-O 3.44Å; F124-V126 HydrophobicContact CB-CG1 3.97Å; F124-V126 PolarHBondContact O-N 2.95Å; F124-W355 HydrophobicContact CD2-CH2 4.38Å; F124-W355 HydrophobicContact CE2-CH2 4.06Å; F124-W355 AromaticContact CE2-CZ3 3.93Å; F124-W355 HydrophobicContact CE2-CZ3 3.93Å; F124-L358 HydrophobicContact CE2-CD1 3.8Å; F124-L358 HydrophobicContact CZ-CD1 3.88Å; F124-L358 HydrophobicContact CZ-CD2 4.18Å
125R98.6Very high98.3Very high30 Ų3028 Ų2811%0.11314%0.138CC..EExtended strand (participates in β ladder)trans-75.4103.8152.5179.465.8176.4175.11.1106A92 G93 P98 L99 M100 Y164A92-R125 WeakPolarHBondContact O-CD 3.42Å; G93-R125 WeakPolarHBondContact O-CD 3.47Å; G93-R125 PolarHBondContact O-NH1 2.76Å; P98-R125 PolarHBondContact O-N 3.44Å; L99-R125 WeakPolarHBondContact CA-O 3.41Å; L99-R125 WeakPolarHBondContact CD1-O 3.47Å; M100-R125 PolarHBondContact N-O 3.3Å; R125-Y164 VanDerWaalsContact CB-OH 3.31Å; R125-Y164 WeakPolarHBondContact CB-OH 3.26Å
126V98.8Very high98.3Very high0 Ų029.8 Ų29.80%015%0.148CC..EExtended strand (participates in β ladder)trans-89.6135.9179.8-65.50000110A91 A92 M100 F102 L117 F120 K121 F124A91-V126 WeakPolarHBondContact CA-O 3.05Å; A92-V126 HydrophobicContact CB-CG2 3.64Å; A92-V126 PolarHBondContact N-O 3.29Å; A92-V126 WeakPolarHBondContact O-CG2 3.44Å; A92-V126 PolarHBondContact O-N 3.33Å; M100-V126 HydrophobicContact CB-CG1 4.35Å; M100-V126 WeakPolarHBondContact O-CA 3.41Å; F102-V126 HydrophobicContact CE2-CB 3.92Å; F102-V126 HydrophobicContact CE2-CG1 3.99Å; L117-V126 HydrophobicContact CD2-CB 3.96Å; L117-V126 HydrophobicContact CD2-CG2 3.74Å; F120-V126 HydrophobicContact CB-CG1 3.65Å; K121-V126 HydrophobicContact CB-CG2 3.81Å; F124-V126 HydrophobicContact CB-CG1 3.97Å; F124-V126 PolarHBondContact O-N 2.95Å
127V98.9Very high98.3Very high0 Ų030.2 Ų30.20%015%0.15CC..EExtended strand (participates in β ladder)trans-135.3120.1177.31760000109.5Y89 I90 A91 L99 M100 L101 F102 V129 L162Y89-V127 HydrophobicContact CD2-CG1 3.58Å; Y89-V127 HydrophobicContact CE2-CG1 4.34Å; Y89-V127 HydrophobicContact CG-CG1 3.98Å; I90-V127 CarbonylContact O-C 3.57Å; I90-V127 VanDerWaalsContact O-CA 3.29Å; I90-V127 WeakPolarHBondContact O-CA 3.37Å; A91-V127 HydrophobicContact CB-CG2 4.04Å; L99-V127 HydrophobicContact CD1-CB 4.05Å; L99-V127 HydrophobicContact CD1-CG2 3.67Å; M100-V127 PolarHBondContact O-N 3.37Å; L101-V127 CarbonylContact C-O 3.56Å; L101-V127 WeakPolarHBondContact CA-O 3.23Å; L101-V127 HydrophobicContact CD1-CB 3.79Å; L101-V127 HydrophobicContact CD1-CG1 3.63Å; F102-V127 WeakPolarHBondContact CD2-O 3.49Å; F102-V127 PolarHBondContact N-O 2.95Å; V127-V129 HydrophobicContact CG1-CG2 4.01Å; V127-L162 HydrophobicContact CB-CD1 4.49Å; V127-L162 HydrophobicContact CG1-CD1 4.16Å; V127-L162 HydrophobicContact CG2-CD1 4.12Å
128A98.9Very high98.3Very high0 Ų032.2 Ų32.20%016%0.161CC..EExtended strand (participates in β ladder)trans-109.2118.6171.500000109.3Y89 I90 F102 W110 W113 L117Y89-A128 CarbonylContact C-O 3.57Å; Y89-A128 VanDerWaalsContact CA-O 3.23Å; Y89-A128 WeakPolarHBondContact CA-O 3.37Å; Y89-A128 WeakPolarHBondContact CB-O 3.33Å; I90-A128 PolarHBondContact N-O 2.92Å; I90-A128 PolarHBondContact O-N 2.99Å; F102-A128 HydrophobicContact CB-CB 4.1Å; W110-A128 HydrophobicContact CB-CB 3.96Å; W113-A128 HydrophobicContact CB-CB 4.22Å; L117-A128 HydrophobicContact CD1-CB 3.96Å; L117-A128 HydrophobicContact CD2-CB 3.89Å; L117-A128 HydrophobicContact CG-CB 4.2Å
129V98.8Very high98.3Very high4 Ų429.8 Ų29.82%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-94.6136.4-173.2178.20000109.4L101 F102 L103 H104 V127 M131 I158L101-V129 HydrophobicContact CD1-CG2 3.63Å; F102-V129 PolarHBondContact O-N 3.22Å; L103-V129 HydrophobicContact CD2-CB 4.49Å; H104-V129 PolarHBondContact CD2-O 3.32Å; V127-V129 HydrophobicContact CG1-CG2 4.01Å; V129-M131 PolarHBondContact O-N 3.15Å; V129-I158 HydrophobicContact CG1-CD1 3.88Å; V129-I158 HydrophobicContact CG2-CD1 4.5Å; V129-I158 HydrophobicContact CG2-CG2 4.27Å
130D98.9Very high98.1Very high1 Ų127.2 Ų27.21%0.00515%0.145CC..  trans-75.7114.2157.3-79.7-16.7000107.9H88 F109 W110 G135 E136 S137H88-D130 HydrophobicContact CB-CB 4.31Å; H88-D130 IonicContact CE1-OD2 2.66Å; H88-D130 IonicContact CG-OD2 3.45Å; H88-D130 IonicContact ND1-OD2 2.82Å; H88-D130 PolarHBondContact ND1-OD2 3.49Å; H88-D130 PolarHBondContact O-N 2.62Å; F109-D130 WeakPolarHBondContact CB-OD1 3.39Å; W110-D130 WeakPolarHBondContact CB-OD1 3.44Å; W110-D130 PolarHBondContact N-OD1 2.77Å; D130-G135 WeakPolarHBondContact OD2-CA 3.37Å; D130-E136 PolarHBondContact OD2-N 3.12Å; D130-E136 VanDerWaalsContact OD2-N 3.16Å; D130-S137 WeakPolarHBondContact CB-OG 3.32Å; D130-S137 WeakPolarHBondContact O-CB 3.36Å; D130-S137 PolarHBondContact O-OG 3.01Å
131M98.4Very high97.6Very high10 Ų1034.6 Ų34.65%0.04918%0.184CC..  trans-65.5164.7-178.7-59.4-164.3-58.400111.2L103 H104 V129 G133 Y134 W174 I178 Y284L103-M131 HydrophobicContact CB-SD 4.31Å; H104-M131 PolarHBondContact NE2-N 2.99Å; H104-M131 WeakPolarHBondContact O-CE 3.47Å; H104-M131 VanDerWaalsContact O-SD 3.38Å; V129-M131 PolarHBondContact O-N 3.15Å; M131-G133 PolarHBondContact O-N 3.01Å; M131-Y134 HydrophobicContact CB-CD2 4.12Å; M131-Y134 HydrophobicContact CE-CE2 4.3Å; M131-Y134 WeakPolarHBondContact O-CB 3.46Å; M131-Y134 PolarHBondContact O-N 3.3Å; M131-W174 HydrophobicContact CE-CB 4.28Å; M131-I178 HydrophobicContact CE-CD1 4.39Å; M131-I178 HydrophobicContact SD-CD1 3.73Å; M131-Y284 VanDerWaalsContact CB-OH 3.3Å; M131-Y284 WeakPolarHBondContact CB-OH 3.39Å; M131-Y284 HydrophobicContact CE-CE1 3.78Å; M131-Y284 HydrophobicContact SD-CE1 4.49Å
132R98.4Very high97.4Very high12 Ų1233.5 Ų33.55%0.04519%0.185CC..THydrogen-bonded Turntrans-45.5127.3178.8-174.3-176.7-67.3-142.9-4.3111.1L85 F87 Y134 P140 S145 Y146 L151 D154 Y284L85-R132 HydrophobicContact CD1-CG 4.29Å; L85-R132 VanDerWaalsContact CD1-CZ 3.43Å; F87-R132 HydrophobicContact CE1-CB 3.91Å; F87-R132 HydrophobicContact CZ-CB 4.46Å; R132-Y134 VanDerWaalsContact C-N 3.27Å; R132-Y134 WeakPolarHBondContact O-CD2 3.5Å; R132-Y134 PolarHBondContact O-N 3.11Å; R132-P140 HydrophobicContact CG-CG 3.95Å; R132-S145 WeakPolarHBondContact CD-O 3.47Å; R132-S145 PolarHBondContact NH1-O 3.12Å; R132-Y146 HydrophobicContact CB-CE1 4.46Å; R132-Y146 HydrophobicContact CG-CD1 4.33Å; R132-Y146 HydrophobicContact CG-CE1 3.92Å; R132-L151 HydrophobicContact CB-CD2 3.88Å; R132-L151 HydrophobicContact CG-CD2 4.47Å; R132-D154 IonicContact CZ-OD1 2.58Å; R132-D154 IonicContact CZ-OD2 3.3Å; R132-D154 IonicContact NE-OD2 3.11Å; R132-D154 PolarHBondContact NE-OD2 3.23Å; R132-D154 IonicContact NH2-OD1 3.83Å; R132-D154 PolarHBondContact NH2-OD1 3.1Å; R132-D154 IonicContact NH2-OD2 3.59Å; R132-D154 PolarHBondContact NH2-OD2 3.01Å; R132-Y284 PolarHBondContact N-OH 2.93Å; R132-Y284 WeakPolarHBondContact O-CE2 3.42Å; R132-Y284 PolarHBondContact O-OH 2.79Å
133G97.9Very high97.2Very high2 Ų233 Ų332%0.02118%0.179CC..THydrogen-bonded Turntrans72.111.7-179.700000116.3M131 D138M131-G133 PolarHBondContact O-N 3.01Å; G133-D138 PolarHBondContact N-O 3.28Å
134Y98.6Very high97Very high6 Ų632.3 Ų32.32%0.02418%0.177CC..SBendtrans-114.7154.5171.4-72.1-95000111.8H104 E108 M131 R132 E136 S137 A281 Y284H104-Y134 AromaticContact CE1-CD1 3.56Å; H104-Y134 AromaticContact CE1-CD2 3.75Å; H104-Y134 AromaticContact CE1-CE1 3.98Å; H104-Y134 AromaticContact CE1-CG 3.42Å; H104-Y134 VanDerWaalsContact CE1-CG 3.42Å; E108-Y134 WeakPolarHBondContact O-CD1 3.43Å; E108-Y134 WeakPolarHBondContact O-CE1 3.02Å; M131-Y134 HydrophobicContact CB-CD2 4.12Å; M131-Y134 HydrophobicContact CE-CE2 4.3Å; M131-Y134 WeakPolarHBondContact O-CB 3.46Å; M131-Y134 PolarHBondContact O-N 3.3Å; R132-Y134 VanDerWaalsContact C-N 3.27Å; R132-Y134 WeakPolarHBondContact O-CD2 3.5Å; R132-Y134 PolarHBondContact O-N 3.11Å; Y134-E136 PolarHBondContact O-N 3.28Å; Y134-S137 WeakPolarHBondContact O-CB 3.25Å; Y134-S137 PolarHBondContact O-N 3.31Å; Y134-A281 HydrophobicContact CD1-CB 4.22Å; Y134-A281 HydrophobicContact CE1-CB 3.46Å; Y134-A281 VanDerWaalsContact CE1-CB 3.46Å; Y134-A281 HydrophobicContact CE2-CB 4.22Å; Y134-A281 VanDerWaalsContact CZ-CA 3.49Å; Y134-A281 VanDerWaalsContact CZ-CB 3.46Å; Y134-A281 WeakPolarHBondContact OH-CA 3.4Å; Y134-A281 WeakPolarHBondContact OH-CB 3.13Å; Y134-A281 PolarHBondContact OH-O 2.58Å; Y134-Y284 HydrophobicContact CD2-CE2 4.16Å; Y134-Y284 HydrophobicContact CE2-CD2 4.03Å; Y134-Y284 HydrophobicContact CE2-CE1 4.42Å; Y134-Y284 AromaticContact CE2-CE2 3.59Å; Y134-Y284 HydrophobicContact CE2-CE2 3.59Å; Y134-Y284 AromaticContact CE2-CZ 3.84Å
135G97.3Very high96.8Very high31 Ų3132.4 Ų32.432%0.3218%0.18SC..THydrogen-bonded Turntrans50.7-124.1173.200000112.7D130D130-G135 WeakPolarHBondContact OD2-CA 3.37Å
136E97.8Very high96.7Very high77 Ų7731 Ų3136%0.3618%0.175SC..THydrogen-bonded Turntrans-99.47.3179.3-65.2-172.4-139.400114.3Y77 H88 D130 Y134Y77-E136 HydrophobicContact CE1-CB 4.16Å; Y77-E136 PolarHBondContact OH-OE2 3.42Å; H88-E136 HydrophobicContact CB-CB 3.64Å; D130-E136 PolarHBondContact OD2-N 3.12Å; D130-E136 VanDerWaalsContact OD2-N 3.16Å; Y134-E136 PolarHBondContact O-N 3.28Å
137S98.8Very high96.5Very high8 Ų834.6 Ų34.66%0.05619%0.192CC..SBendtrans-74.7149.5171.1-720000111.1F87 H88 D130 Y134F87-S137 VanDerWaalsContact CA-OG 3.31Å; F87-S137 WeakPolarHBondContact CA-OG 3.38Å; H88-S137 PolarHBondContact N-OG 2.97Å; D130-S137 WeakPolarHBondContact CB-OG 3.32Å; D130-S137 WeakPolarHBondContact O-CB 3.36Å; D130-S137 PolarHBondContact O-OG 3.01Å; Y134-S137 WeakPolarHBondContact O-CB 3.25Å; Y134-S137 PolarHBondContact O-N 3.31Å
138D98.3Very high96.3Very high43 Ų4335.1 Ų35.123%0.2319%0.194CC..  trans-58.4141.8179.8-76.4-3.9000110.8L85 R86 G133 P140L85-D138 HydrophobicContact CB-CB 4.4Å; L85-D138 HydrophobicContact CD2-CB 4Å; R86-D138 WeakPolarHBondContact CB-OD2 3.24Å; R86-D138 PolarHBondContact N-OD2 3.06Å; R86-D138 IonicContact NE-OD1 3.2Å; R86-D138 WeakPolarHBondContact O-CB 3.48Å; R86-D138 PolarHBondContact O-N 3.29Å; G133-D138 PolarHBondContact N-O 3.28Å; D138-P140 VanDerWaalsContact O-CD 3.3Å; D138-P140 WeakPolarHBondContact O-CD 3.3Å
139L96.3Very high96Very high49 Ų4940.5 Ų40.526%0.25722%0.223SC..  trans-11688.1-175.6-167.6151.7000109L141 G276L139-L141 HydrophobicContact CD2-CD2 4.43Å; L139-G276 VanDerWaalsContact CD1-C 3.44Å; L139-G276 VanDerWaalsContact CD1-O 3.24Å; L139-G276 WeakPolarHBondContact CD1-O 3.38Å
140P95.6Very high95.9Very high24 Ų2444.2 Ų44.216%0.15624%0.24CC..  trans-62.5140.4173.224.4-31.3000110L85 R132 D138 Y146L85-P140 HydrophobicContact CD1-CG 4.46Å; L85-P140 HydrophobicContact CD2-CG 4.44Å; R132-P140 HydrophobicContact CG-CG 3.95Å; D138-P140 VanDerWaalsContact O-CD 3.3Å; D138-P140 WeakPolarHBondContact O-CD 3.3Å; P140-Y146 WeakPolarHBondContact CD-OH 3.15Å; P140-Y146 HydrophobicContact CG-CE2 3.99Å; P140-Y146 WeakPolarHBondContact O-CE2 3.04Å; P140-Y146 PolarHBondContact O-OH 3.48Å
141L88.5Confident95.8Very high156 Ų15644.4 Ų44.482%0.81724%0.241SC*.SBendtrans-78.1-29.9-174.7-63.4178.2000113.3L139L139-L141 HydrophobicContact CD2-CD2 4.43Å
142S92.9Very high95.7Very high48 Ų4844.2 Ų44.234%0.33624%0.241SC..  trans-70.9133.3-178.51470000110.4E144 S145 Y146S142-E144 VanDerWaalsContact C-N 3.26Å; S142-E144 PolarHBondContact O-N 2.99Å; S142-E144 PolarHBondContact OG-N 2.93Å; S142-E144 PolarHBondContact OG-OE2 2.83Å; S142-S145 VanDerWaalsContact O-CB 3.29Å; S142-S145 WeakPolarHBondContact O-CB 2.92Å; S142-S145 PolarHBondContact O-N 3.06Å; S142-S145 PolarHBondContact OG-N 2.89Å; S142-S145 PolarHBondContact OG-OG 2.92Å; S142-Y146 WeakPolarHBondContact O-CD2 3.25Å; S142-Y146 WeakPolarHBondContact O-CE2 3.35Å
143T92.4Very high95.7Very high49 Ų4946 Ų4630%0.30125%0.253SS..G310 helixtrans-60.6-38.7173.632.10000111.4S145 Y146 N283 R286 N287T143-S145 PolarHBondContact O-N 3.23Å; T143-S145 VanDerWaalsContact O-N 3.12Å; T143-Y146 PolarHBondContact O-N 3.39Å; T143-N283 WeakPolarHBondContact CG2-OD1 3.47Å; T143-R286 HydrophobicContact CG2-CB 4.47Å; T143-N287 PolarHBondContact O-ND2 2.95Å; T143-N287 PolarHBondContact O-OD1 3.31Å
144E93.6Very high95.7Very high102 Ų10246.3 Ų46.348%0.47725%0.254SS..G310 helixtrans-61.4-25.5-178.7-57.865.8-134.600111.6S142 Y146 Q147 H150S142-E144 VanDerWaalsContact C-N 3.26Å; S142-E144 PolarHBondContact O-N 2.99Å; S142-E144 PolarHBondContact OG-N 2.93Å; S142-E144 PolarHBondContact OG-OE2 2.83Å; E144-Y146 PolarHBondContact O-N 3.15Å; E144-Q147 VanDerWaalsContact O-CG 3.28Å; E144-Q147 WeakPolarHBondContact O-CG 3.42Å; E144-Q147 PolarHBondContact O-N 2.91Å; E144-H150 PolarHBondContact O-CD2 3.45Å
145S95.4Very high95.7Very high28 Ų2846.4 Ų46.420%0.19626%0.255CS..G310 helixtrans-65.1-7.1173.5-56.40000113.2R132 S142 T143R132-S145 WeakPolarHBondContact CD-O 3.47Å; R132-S145 PolarHBondContact NH1-O 3.12Å; S142-S145 VanDerWaalsContact O-CB 3.29Å; S142-S145 WeakPolarHBondContact O-CB 2.92Å; S142-S145 PolarHBondContact O-N 3.06Å; S142-S145 PolarHBondContact OG-N 2.89Å; S142-S145 PolarHBondContact OG-OG 2.92Å; T143-S145 PolarHBondContact O-N 3.23Å; T143-S145 VanDerWaalsContact O-N 3.12Å
146Y96.1Very high95.8Very high1 Ų146.9 Ų46.90%0.00425%0.249CC..G310 helixtrans-110.916.2178.7-61.3-97.9000112.6R132 P140 S142 T143 E144 L151 G280 N283 Y284R132-Y146 HydrophobicContact CB-CE1 4.46Å; R132-Y146 HydrophobicContact CG-CD1 4.33Å; R132-Y146 HydrophobicContact CG-CE1 3.92Å; P140-Y146 WeakPolarHBondContact CD-OH 3.15Å; P140-Y146 HydrophobicContact CG-CE2 3.99Å; P140-Y146 WeakPolarHBondContact O-CE2 3.04Å; P140-Y146 PolarHBondContact O-OH 3.48Å; S142-Y146 WeakPolarHBondContact O-CD2 3.25Å; S142-Y146 WeakPolarHBondContact O-CE2 3.35Å; T143-Y146 PolarHBondContact O-N 3.39Å; E144-Y146 PolarHBondContact O-N 3.15Å; Y146-L151 WeakPolarHBondContact O-CD1 3.41Å; Y146-G280 WeakPolarHBondContact CE1-O 3.17Å; Y146-N283 HydrophobicContact CD1-CB 3.95Å; Y146-N283 HydrophobicContact CD2-CB 3.36Å; Y146-N283 HydrophobicContact CE1-CB 4.3Å; Y146-N283 HydrophobicContact CE2-CB 3.78Å; Y146-N283 WeakPolarHBondContact CE2-ND2 3.29Å; Y146-N283 HydrophobicContact CG-CB 3.45Å; Y146-N283 VanDerWaalsContact CG-CB 3.45Å; Y146-Y284 AromaticContact CD1-CD2 3.66Å; Y146-Y284 HydrophobicContact CD1-CD2 3.66Å; Y146-Y284 AromaticContact CD1-CE2 3.43Å; Y146-Y284 HydrophobicContact CD1-CE2 3.43Å; Y146-Y284 VanDerWaalsContact CD1-CE2 3.43Å; Y146-Y284 HydrophobicContact CE1-CD2 4.31Å; Y146-Y284 AromaticContact CE1-CE2 3.87Å; Y146-Y284 HydrophobicContact CE1-CE2 3.87Å
147Q94.6Very high95.8Very high75 Ų7543.8 Ų43.835%0.3524%0.235SC..  trans-60.3143.5169.2-72177.3-10.600111E144 D149 H150 L151 N287E144-Q147 VanDerWaalsContact O-CG 3.28Å; E144-Q147 WeakPolarHBondContact O-CG 3.42Å; E144-Q147 PolarHBondContact O-N 2.91Å; Q147-D149 PolarHBondContact O-N 2.84Å; Q147-D149 VanDerWaalsContact O-N 3.15Å; Q147-H150 WeakPolarHBondContact O-CB 3.4Å; Q147-H150 PolarHBondContact O-N 3.27Å; Q147-L151 PolarHBondContact O-N 2.94Å; Q147-N287 HydrophobicContact CG-CB 4.45Å; Q147-N287 WeakPolarHBondContact CG-OD1 3.47Å
148L94.1Very high95.8Very high11 Ų1143.7 Ų43.76%0.05823%0.233CC..Hα-helixtrans-54.6-38.1-173.4-70.5173.2000113.3H150 L151 V152 W174 T177 L181 L294L148-H150 VanDerWaalsContact C-N 3.32Å; L148-H150 PolarHBondContact O-N 2.94Å; L148-L151 PolarHBondContact O-N 3.4Å; L148-V152 WeakPolarHBondContact O-CB 3.32Å; L148-V152 VanDerWaalsContact O-CG2 3.28Å; L148-V152 WeakPolarHBondContact O-CG2 3.3Å; L148-V152 PolarHBondContact O-N 3.47Å; L148-W174 HydrophobicContact CD2-CZ3 4.17Å; L148-T177 HydrophobicContact CD2-CG2 4.32Å; L148-L181 HydrophobicContact CB-CD1 4.13Å; L148-L181 HydrophobicContact CD1-CD1 3.87Å; L148-L181 HydrophobicContact CD2-CD1 4.04Å; L148-L181 HydrophobicContact CG-CD1 4.25Å; L148-L294 HydrophobicContact CD1-CD1 4.43Å; L148-L294 HydrophobicContact CD1-CD2 4.16Å
149D93.4Very high95.8Very high113 Ų11341.7 Ų41.760%0.60422%0.222SC*.Hα-helixtrans-60-43.5179.3-68.3-8000111.3Q147 L151 V152 T153Q147-D149 PolarHBondContact O-N 2.84Å; Q147-D149 VanDerWaalsContact O-N 3.15Å; D149-L151 PolarHBondContact O-N 2.89Å; D149-V152 PolarHBondContact O-N 3.5Å; D149-T153 WeakPolarHBondContact O-CB 3.5Å; D149-T153 PolarHBondContact O-N 3.27Å; D149-T153 PolarHBondContact O-OG1 3.46Å
150H96.2Very high95.8Very high82 Ų8243.8 Ų43.838%0.3823%0.231SC..Hα-helixtrans-63.5-43.4176.1-67-47.6000112.2E144 Q147 L148 V152 T153 D154E144-H150 PolarHBondContact O-CD2 3.45Å; Q147-H150 WeakPolarHBondContact O-CB 3.4Å; Q147-H150 PolarHBondContact O-N 3.27Å; L148-H150 VanDerWaalsContact C-N 3.32Å; L148-H150 PolarHBondContact O-N 2.94Å; H150-V152 VanDerWaalsContact C-N 3.32Å; H150-V152 PolarHBondContact O-N 3.2Å; H150-T153 PolarHBondContact O-N 2.77Å; H150-D154 VanDerWaalsContact O-CG 3.23Å; H150-D154 PolarHBondContact O-N 3.49Å
151L97Very high95.9Very high5 Ų548.9 Ų48.93%0.02625%0.248CC..Hα-helixtrans-66.3-36-179.7-58.6177.7000112R132 Y146 Q147 L148 D149 I178 Y284R132-L151 HydrophobicContact CB-CD2 3.88Å; R132-L151 HydrophobicContact CG-CD2 4.47Å; Y146-L151 WeakPolarHBondContact O-CD1 3.41Å; Q147-L151 PolarHBondContact O-N 2.94Å; L148-L151 PolarHBondContact O-N 3.4Å; D149-L151 PolarHBondContact O-N 2.89Å; L151-I178 HydrophobicContact CB-CD1 4Å; L151-I178 HydrophobicContact CB-CG1 4.22Å; L151-I178 HydrophobicContact CD1-CD1 4.16Å; L151-Y284 HydrophobicContact CD1-CD1 3.69Å; L151-Y284 HydrophobicContact CD1-CE1 3.47Å; L151-Y284 VanDerWaalsContact CD1-CE1 3.47Å; L151-Y284 HydrophobicContact CD1-CE2 4.49Å; L151-Y284 HydrophobicContact CD1-CG 4.3Å; L151-Y284 HydrophobicContact CD2-CE1 4.2Å; L151-Y284 HydrophobicContact CD2-CE2 4.36Å; L151-Y284 WeakPolarHBondContact CD2-OH 3.42Å; L151-Y284 HydrophobicContact CG-CE1 4.42Å
152V97.4Very high96.3Very high7 Ų743 Ų434%0.04222%0.218CC..Hα-helixtrans-72-39.7175.7170.70000110.9L148 D149 H150 V155 K156 I178 L181 F182 Y186L148-V152 WeakPolarHBondContact O-CB 3.32Å; L148-V152 VanDerWaalsContact O-CG2 3.28Å; L148-V152 WeakPolarHBondContact O-CG2 3.3Å; L148-V152 PolarHBondContact O-N 3.47Å; D149-V152 PolarHBondContact O-N 3.5Å; H150-V152 VanDerWaalsContact C-N 3.32Å; H150-V152 PolarHBondContact O-N 3.2Å; V152-V155 PolarHBondContact O-N 3.31Å; V152-K156 PolarHBondContact O-N 3.19Å; V152-I178 HydrophobicContact CG2-CG2 4.18Å; V152-L181 HydrophobicContact CG2-CB 3.6Å; V152-L181 HydrophobicContact CG2-CD1 4.28Å; V152-F182 HydrophobicContact CG1-CB 4.37Å; V152-F182 HydrophobicContact CG1-CD2 4.26Å; V152-Y186 HydrophobicContact CG1-CD2 4.29Å; V152-Y186 HydrophobicContact CG1-CE2 3.87Å
153T97.7Very high96.5Very high49 Ų4943.9 Ų43.930%0.30123%0.233SC..Hα-helixtrans-63.8-38.4174.1-62.30000112D149 H150 V155 K156 D157D149-T153 WeakPolarHBondContact O-CB 3.5Å; D149-T153 PolarHBondContact O-N 3.27Å; D149-T153 PolarHBondContact O-OG1 3.46Å; H150-T153 PolarHBondContact O-N 2.77Å; T153-V155 VanDerWaalsContact C-N 3.26Å; T153-V155 PolarHBondContact O-N 2.81Å; T153-K156 WeakPolarHBondContact O-CB 3.33Å; T153-K156 PolarHBondContact O-N 2.83Å; T153-D157 WeakPolarHBondContact CG2-OD2 3.27Å; T153-D157 PolarHBondContact O-N 2.57Å
154D98.3Very high96.8Very high8 Ų843.5 Ų43.54%0.04323%0.227CC..Hα-helixtrans-55.2-43.1175.1-69.5-26.1000111.9F87 R132 H150 K156 D157 I158F87-D154 HydrophobicContact CE1-CB 4.34Å; F87-D154 HydrophobicContact CE2-CB 4.43Å; F87-D154 HydrophobicContact CZ-CB 3.89Å; F87-D154 WeakPolarHBondContact CZ-OD1 3.46Å; F87-D154 WeakPolarHBondContact CZ-OD2 3.14Å; R132-D154 IonicContact CZ-OD1 2.58Å; R132-D154 IonicContact CZ-OD2 3.3Å; R132-D154 IonicContact NE-OD2 3.11Å; R132-D154 PolarHBondContact NE-OD2 3.23Å; R132-D154 IonicContact NH2-OD1 3.83Å; R132-D154 PolarHBondContact NH2-OD1 3.1Å; R132-D154 IonicContact NH2-OD2 3.59Å; R132-D154 PolarHBondContact NH2-OD2 3.01Å; H150-D154 VanDerWaalsContact O-CG 3.23Å; H150-D154 PolarHBondContact O-N 3.49Å; D154-K156 VanDerWaalsContact C-N 3.35Å; D154-K156 PolarHBondContact O-N 3.25Å; D154-D157 PolarHBondContact O-N 3.22Å; D154-I158 WeakPolarHBondContact O-CB 3.37Å; D154-I158 WeakPolarHBondContact O-CD1 3.22Å; D154-I158 WeakPolarHBondContact O-CG1 3.39Å; D154-I158 PolarHBondContact O-N 3.2Å
155V98.6Very high97Very high8 Ų845.2 Ų45.25%0.04824%0.239CC..Hα-helixtrans-63-42.2178.2178.70000111.2L101 L103 V152 T153 V159 L169 I178 F182L101-V155 HydrophobicContact CD2-CG1 3.88Å; L103-V155 HydrophobicContact CD1-CG1 4.38Å; L103-V155 HydrophobicContact CD1-CG2 3.76Å; L103-V155 HydrophobicContact CD2-CG2 4.11Å; V152-V155 PolarHBondContact O-N 3.31Å; T153-V155 VanDerWaalsContact C-N 3.26Å; T153-V155 PolarHBondContact O-N 2.81Å; V155-V159 VanDerWaalsContact O-CG2 3.28Å; V155-V159 WeakPolarHBondContact O-CG2 3.23Å; V155-V159 PolarHBondContact O-N 3.4Å; V155-L169 HydrophobicContact CG1-CD1 4.38Å; V155-I178 HydrophobicContact CG2-CG2 3.74Å; V155-F182 HydrophobicContact CB-CD2 3.79Å; V155-F182 HydrophobicContact CB-CE2 4.04Å; V155-F182 HydrophobicContact CG1-CD2 3.62Å; V155-F182 HydrophobicContact CG1-CE2 3.73Å; V155-F182 HydrophobicContact CG1-CG 4.05Å; V155-F182 HydrophobicContact CG1-CZ 4.23Å
156K98.4Very high97.1Very high42 Ų4250.8 Ų50.818%0.18326%0.256CS..Hα-helixtrans-58.5-53.1176.5176.5-171.1152.8-63.30110.2V152 T153 D154 I158 V159 E160 F182 Y186 M189V152-K156 PolarHBondContact O-N 3.19Å; T153-K156 WeakPolarHBondContact O-CB 3.33Å; T153-K156 PolarHBondContact O-N 2.83Å; D154-K156 VanDerWaalsContact C-N 3.35Å; D154-K156 PolarHBondContact O-N 3.25Å; K156-I158 VanDerWaalsContact C-N 3.3Å; K156-I158 PolarHBondContact O-N 3.46Å; K156-V159 PolarHBondContact O-N 3.43Å; K156-V159 VanDerWaalsContact O-N 3.16Å; K156-E160 WeakPolarHBondContact CE-OE1 3.47Å; K156-E160 IonicContact NZ-OE1 3.79Å; K156-E160 PolarHBondContact NZ-OE1 3.12Å; K156-E160 VanDerWaalsContact NZ-OE1 3.07Å; K156-E160 IonicContact NZ-OE2 2.78Å; K156-E160 PolarHBondContact NZ-OE2 3.2Å; K156-E160 PolarHBondContact O-N 3.06Å; K156-F182 HydrophobicContact CB-CE2 3.85Å; K156-Y186 HydrophobicContact CB-CD2 4.41Å; K156-Y186 HydrophobicContact CB-CE2 4.08Å; K156-Y186 HydrophobicContact CD-CD1 4.23Å; K156-Y186 HydrophobicContact CD-CE1 3.65Å; K156-Y186 HydrophobicContact CD-CE2 4.14Å; K156-M189 HydrophobicContact CG-CE 4.12Å; K156-M189 HydrophobicContact CG-SD 3.92Å
157D98.1Very high97.3Very high12 Ų1250.8 Ų50.86%0.06426%0.256CS..Hα-helixtrans-69.4-32.1-172.3-59.6-17.2000111.1I80 T153 D154 Y161I80-D157 HydrophobicContact CD1-CB 3.86Å; I80-D157 HydrophobicContact CG1-CB 4.39Å; I80-D157 HydrophobicContact CG2-CB 3.67Å; T153-D157 WeakPolarHBondContact CG2-OD2 3.27Å; T153-D157 PolarHBondContact O-N 2.57Å; D154-D157 PolarHBondContact O-N 3.22Å; D157-Y161 VanDerWaalsContact O-CB 3.23Å; D157-Y161 WeakPolarHBondContact O-CB 3.36Å; D157-Y161 PolarHBondContact O-N 3.44Å
158I98.4Very high97.5Very high6 Ų647.3 Ų47.33%0.03124%0.24CC..Hα-helixtrans-64.3-46.6170.9-70.6167.4000111.1V78 I80 F87 V129 D154 K156 E160 Y161 L162V78-I158 HydrophobicContact CG1-CG1 4.24Å; I80-I158 HydrophobicContact CD1-CG1 4.07Å; F87-I158 HydrophobicContact CB-CD1 4.2Å; F87-I158 HydrophobicContact CD1-CD1 4.25Å; F87-I158 HydrophobicContact CD2-CD1 4.22Å; F87-I158 HydrophobicContact CD2-CG1 4.49Å; F87-I158 HydrophobicContact CG-CD1 3.96Å; V129-I158 HydrophobicContact CG1-CD1 3.88Å; V129-I158 HydrophobicContact CG2-CD1 4.5Å; V129-I158 HydrophobicContact CG2-CG2 4.27Å; D154-I158 WeakPolarHBondContact O-CB 3.37Å; D154-I158 WeakPolarHBondContact O-CD1 3.22Å; D154-I158 WeakPolarHBondContact O-CG1 3.39Å; D154-I158 PolarHBondContact O-N 3.2Å; K156-I158 VanDerWaalsContact C-N 3.3Å; K156-I158 PolarHBondContact O-N 3.46Å; I158-E160 VanDerWaalsContact C-N 3.34Å; I158-E160 PolarHBondContact O-N 2.91Å; I158-Y161 PolarHBondContact O-N 3.02Å; I158-L162 HydrophobicContact CG2-CD1 3.88Å; I158-L162 HydrophobicContact CG2-CG 4.43Å; I158-L162 WeakPolarHBondContact O-CG 3.28Å; I158-L162 PolarHBondContact O-N 3.41Å
159V98.4Very high97.7Very high0 Ų046.8 Ų46.80%024%0.237CC..Hα-helixtrans-60.1-45.8178.7169.80000111L99 L101 V155 K156 L162 Y164 M189L99-V159 HydrophobicContact CD2-CG1 4.4Å; L99-V159 HydrophobicContact CD2-CG2 4.34Å; L101-V159 HydrophobicContact CD2-CG2 3.66Å; V155-V159 VanDerWaalsContact O-CG2 3.28Å; V155-V159 WeakPolarHBondContact O-CG2 3.23Å; V155-V159 PolarHBondContact O-N 3.4Å; K156-V159 PolarHBondContact O-N 3.43Å; K156-V159 VanDerWaalsContact O-N 3.16Å; V159-L162 PolarHBondContact O-N 2.77Å; V159-Y164 CarbonylContact C-O 3.58Å; V159-Y164 WeakPolarHBondContact CG1-O 3.44Å; V159-Y164 PolarHBondContact O-N 3.24Å; V159-Y164 VanDerWaalsContact O-N 3.16Å; V159-M189 HydrophobicContact CB-CE 3.99Å; V159-M189 HydrophobicContact CG1-CE 3.64Å
160E97.7Very high98Very high93 Ų9341.4 Ų41.444%0.43521%0.209SC..Hα-helixtrans-64.1-43.9177.3-71.8174.7170.800111.9K156 I158 L162 G163 M189K156-E160 WeakPolarHBondContact CE-OE1 3.47Å; K156-E160 IonicContact NZ-OE1 3.79Å; K156-E160 PolarHBondContact NZ-OE1 3.12Å; K156-E160 VanDerWaalsContact NZ-OE1 3.07Å; K156-E160 IonicContact NZ-OE2 2.78Å; K156-E160 PolarHBondContact NZ-OE2 3.2Å; K156-E160 PolarHBondContact O-N 3.06Å; I158-E160 VanDerWaalsContact C-N 3.34Å; I158-E160 PolarHBondContact O-N 2.91Å; E160-L162 VanDerWaalsContact C-N 3.29Å; E160-L162 PolarHBondContact O-N 2.97Å; E160-G163 WeakPolarHBondContact O-CA 3.45Å; E160-G163 PolarHBondContact O-N 3.43Å; E160-M189 HydrophobicContact CG-CE 4.03Å
161Y97.2Very high98.1Very high131 Ų13137.5 Ų37.551%0.51419%0.19SC..Hα-helixtrans-60.8-38.3177.7178.5-91.1000112.6V78 D157 I158 G163V78-Y161 HydrophobicContact CB-CD1 3.59Å; V78-Y161 HydrophobicContact CB-CE1 3.55Å; V78-Y161 HydrophobicContact CB-CG 4.14Å; V78-Y161 HydrophobicContact CG2-CD1 3.19Å; V78-Y161 HydrophobicContact CG2-CD2 3.47Å; V78-Y161 VanDerWaalsContact CG2-CD2 3.47Å; V78-Y161 HydrophobicContact CG2-CE1 3.45Å; V78-Y161 VanDerWaalsContact CG2-CE1 3.45Å; V78-Y161 HydrophobicContact CG2-CE2 3.71Å; V78-Y161 HydrophobicContact CG2-CG 3.19Å; D157-Y161 VanDerWaalsContact O-CB 3.23Å; D157-Y161 WeakPolarHBondContact O-CB 3.36Å; D157-Y161 PolarHBondContact O-N 3.44Å; I158-Y161 PolarHBondContact O-N 3.02Å; Y161-G163 PolarHBondContact O-N 3.15Å; Y161-G163 VanDerWaalsContact O-N 3.13Å
162L97Very high98.2Very high34 Ų3437.2 Ų37.218%0.17819%0.189CC..THydrogen-bonded Turntrans-68.4-5.5176.1-67.5169.6000112.7Y89 L99 V127 I158 V159 E160 Y164Y89-L162 HydrophobicContact CE1-CD2 4.46Å; Y89-L162 HydrophobicContact CE2-CD2 3.92Å; L99-L162 HydrophobicContact CD1-CD1 4.43Å; L99-L162 HydrophobicContact CD2-CD1 4.24Å; V127-L162 HydrophobicContact CB-CD1 4.49Å; V127-L162 HydrophobicContact CG1-CD1 4.16Å; V127-L162 HydrophobicContact CG2-CD1 4.12Å; I158-L162 HydrophobicContact CG2-CD1 3.88Å; I158-L162 HydrophobicContact CG2-CG 4.43Å; I158-L162 WeakPolarHBondContact O-CG 3.28Å; I158-L162 PolarHBondContact O-N 3.41Å; V159-L162 PolarHBondContact O-N 2.77Å; E160-L162 VanDerWaalsContact C-N 3.29Å; E160-L162 PolarHBondContact O-N 2.97Å; L162-Y164 HydrophobicContact CB-CD2 3.77Å; L162-Y164 HydrophobicContact CB-CE2 4.27Å; L162-Y164 VanDerWaalsContact O-CD2 3.27Å; L162-Y164 WeakPolarHBondContact O-CD2 3.48Å; L162-Y164 WeakPolarHBondContact O-CE2 3.27Å
163G97.4Very high98.2Very high65 Ų6537.9 Ų37.967%0.6719%0.193SC*.THydrogen-bonded Turntrans83.720.1178.700000113.6E160 Y161E160-G163 WeakPolarHBondContact O-CA 3.45Å; E160-G163 PolarHBondContact O-N 3.43Å; Y161-G163 PolarHBondContact O-N 3.15Å; Y161-G163 VanDerWaalsContact O-N 3.13Å
164Y98.4Very high98.2Very high42 Ų4236 Ų3617%0.16518%0.18CC..  trans-109.1139.8-179.1-69.7-90.5000110.9K97 L99 R125 V159 L162K97-Y164 VanDerWaalsContact O-CE1 3.29Å; K97-Y164 WeakPolarHBondContact O-CE1 3.46Å; K97-Y164 PolarHBondContact O-OH 3.06Å; L99-Y164 HydrophobicContact CB-CD1 3.51Å; L99-Y164 HydrophobicContact CB-CD2 3.99Å; L99-Y164 HydrophobicContact CB-CE1 3.67Å; L99-Y164 HydrophobicContact CB-CE2 4.14Å; L99-Y164 HydrophobicContact CB-CG 3.67Å; L99-Y164 HydrophobicContact CD1-CE2 4.45Å; L99-Y164 HydrophobicContact CD2-CD1 4.47Å; L99-Y164 HydrophobicContact CD2-CD2 3.74Å; L99-Y164 HydrophobicContact CD2-CE2 4.43Å; L99-Y164 HydrophobicContact CD2-CG 3.76Å; L99-Y164 HydrophobicContact CG-CD2 4.31Å; L99-Y164 HydrophobicContact CG-CG 4.31Å; R125-Y164 VanDerWaalsContact CB-OH 3.31Å; R125-Y164 WeakPolarHBondContact CB-OH 3.26Å; V159-Y164 CarbonylContact C-O 3.58Å; V159-Y164 WeakPolarHBondContact CG1-O 3.44Å; V159-Y164 PolarHBondContact O-N 3.24Å; V159-Y164 VanDerWaalsContact O-N 3.16Å; L162-Y164 HydrophobicContact CB-CD2 3.77Å; L162-Y164 HydrophobicContact CB-CE2 4.27Å; L162-Y164 VanDerWaalsContact O-CD2 3.27Å; L162-Y164 WeakPolarHBondContact O-CD2 3.48Å; L162-Y164 WeakPolarHBondContact O-CE2 3.27Å
165N97.7Very high98.2Very high137 Ų13735.6 Ų35.673%0.73318%0.178SC*.SBendtrans-91-20.6172.4-63.5-24.8000112.1
166R98Very high98.2Very high145 Ų14535.2 Ų35.255%0.54718%0.175SC..  trans-148.4153.1-178.3-47.2-171.1177-147.2-4.3111.1E188 M189 T191R166-E188 WeakPolarHBondContact CD-O 3.44Å; R166-E188 VanDerWaalsContact CG-O 3.25Å; R166-E188 WeakPolarHBondContact CG-O 3.28Å; R166-E188 PolarHBondContact NE-O 3.06Å; R166-E188 PolarHBondContact NH1-O 2.65Å; R166-M189 CarbonylContact C-O 3.6Å; R166-M189 WeakPolarHBondContact CA-O 3.29Å; R166-T191 HydrophobicContact CB-CG2 3.68Å
167C98.7Very high98.2Very high1 Ų134.5 Ų34.51%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-139.5158.5175.3660000112.6L99 L101 M189 T191L99-C167 HydrophobicContact CB-CB 4.03Å; L99-C167 HydrophobicContact CD2-CB 3.77Å; L99-C167 HydrophobicContact CG-CB 3.76Å; L99-C167 WeakPolarHBondContact O-CA 3.26Å; L101-C167 HydrophobicContact CB-CB 4.44Å; C167-M189 PolarHBondContact N-O 2.82Å; C167-T191 VanDerWaalsContact C-OG1 3.32Å; C167-T191 PolarHBondContact O-N 2.8Å; C167-T191 PolarHBondContact O-OG1 3.16Å; C167-T191 VanDerWaalsContact O-OG1 3.07Å
168C98.8Very high98.2Very high2 Ų234 Ų341%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-78.4113155-1780000107.2L99 M100 L101 T191 K192L99-C168 PolarHBondContact O-N 3.4Å; M100-C168 CarbonylContact C-O 3.46Å; M100-C168 WeakPolarHBondContact CA-O 3.37Å; M100-C168 HydrophobicContact CB-CB 4.39Å; M100-C168 HydrophobicContact CE-CB 4.38Å; M100-C168 HydrophobicContact CG-CB 4.27Å; L101-C168 PolarHBondContact N-O 2.88Å; C168-T191 PolarHBondContact N-OG1 3.43Å; C168-K192 WeakPolarHBondContact CA-O 3.45Å
169L98.9Very high98.2Very high0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-98.5126.3-174.9-17259.8000110.2L101 L103 V155 A179 F182 V190 K192 L193 I194L101-L169 HydrophobicContact CB-CD1 4.04Å; L101-L169 HydrophobicContact CD2-CD1 3.92Å; L101-L169 HydrophobicContact CG-CD1 4.18Å; L103-L169 HydrophobicContact CD1-CD1 3.93Å; L103-L169 HydrophobicContact CG-CD1 4.1Å; V155-L169 HydrophobicContact CG1-CD1 4.38Å; L169-A179 HydrophobicContact CD2-CB 3.75Å; L169-A179 HydrophobicContact CG-CB 3.89Å; L169-F182 HydrophobicContact CD2-CB 3.94Å; L169-F182 HydrophobicContact CD2-CD1 3.49Å; L169-F182 VanDerWaalsContact CD2-CD1 3.49Å; L169-F182 HydrophobicContact CD2-CE1 4.3Å; L169-F182 HydrophobicContact CD2-CG 3.93Å; L169-V190 HydrophobicContact CB-CG1 4.41Å; L169-V190 HydrophobicContact CD2-CG2 4.49Å; L169-K192 PolarHBondContact N-O 2.84Å; L169-L193 HydrophobicContact CB-CD1 4.24Å; L169-L193 HydrophobicContact CD2-CD1 4.34Å; L169-L193 HydrophobicContact CG-CD1 4.36Å; L169-I194 PolarHBondContact O-N 2.91Å
170V98.9Very high98.2Very high0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-120.2125.3-179.3-168.40000109M100 L101 F102 L103 W113 I194 L196M100-V170 HydrophobicContact CG-CG2 3.9Å; M100-V170 HydrophobicContact SD-CG2 4.3Å; L101-V170 PolarHBondContact O-N 2.85Å; F102-V170 CarbonylContact C-O 3.56Å; F102-V170 WeakPolarHBondContact CA-O 3.48Å; F102-V170 HydrophobicContact CD1-CB 3.55Å; F102-V170 HydrophobicContact CD1-CG1 3.74Å; F102-V170 HydrophobicContact CD1-CG2 3.94Å; F102-V170 HydrophobicContact CE1-CB 3.9Å; F102-V170 HydrophobicContact CE1-CG1 3.97Å; F102-V170 HydrophobicContact CE1-CG2 3.79Å; F102-V170 HydrophobicContact CG-CB 4.35Å; F102-V170 HydrophobicContact CZ-CG2 4.48Å; L103-V170 PolarHBondContact N-O 3.18Å; W113-V170 HydrophobicContact CH2-CG1 3.8Å; W113-V170 HydrophobicContact CZ3-CG1 3.93Å; V170-I194 CarbonylContact C-O 3.56Å; V170-I194 VanDerWaalsContact CA-O 3.25Å; V170-I194 WeakPolarHBondContact CA-O 3.44Å; V170-I194 HydrophobicContact CB-CB 4.46Å; V170-I194 HydrophobicContact CG1-CB 4.16Å; V170-I194 HydrophobicContact CG1-CG2 4.08Å; V170-I194 HydrophobicContact CG2-CB 4.16Å; V170-I194 HydrophobicContact CG2-CD1 4.18Å; V170-L196 HydrophobicContact CG1-CD1 4.23Å
171G98.8Very high98.1Very high0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-135.4144.3-178.400000113.2L103 I194 V195 L196L103-G171 WeakPolarHBondContact O-CA 3.44Å; G171-I194 PolarHBondContact N-O 2.84Å; G171-V195 CarbonylContact O-C 3.45Å; G171-V195 WeakPolarHBondContact O-CA 3.43Å; G171-L196 PolarHBondContact O-N 3.01Å
172H98.9Very high98.2Very high0 Ų023.7 Ų23.70%013%0.128CC..EExtended strand (participates in β ladder)trans-128142.7172.4170.8-102.4000110.4L103 H104 G105 E108 W113 W174 G175 G176 L196 H340 W341 Q343L103-H172 PolarHBondContact O-N 3.33Å; H104-H172 CarbonylContact C-O 3.57Å; G105-H172 PolarHBondContact N-O 3.42Å; E108-H172 IonicContact OE2-CE1 2.78Å; E108-H172 IonicContact OE2-ND1 3.7Å; E108-H172 PolarHBondContact OE2-ND1 3.28Å; E108-H172 VanDerWaalsContact OE2-ND1 3.15Å; W113-H172 HydrophobicContact CH2-CB 3.79Å; W113-H172 HydrophobicContact CZ2-CB 3.64Å; H172-W174 PolarHBondContact O-N 3.01Å; H172-G175 CarbonylContact O-C 3.59Å; H172-G175 VanDerWaalsContact O-CA 3.31Å; H172-G175 WeakPolarHBondContact O-CA 3.18Å; H172-G175 PolarHBondContact O-N 2.89Å; H172-G176 VanDerWaalsContact C-N 3.32Å; H172-G176 PolarHBondContact O-N 3.04Å; H172-L196 WeakPolarHBondContact CA-O 3.33Å; H172-L196 HydrophobicContact CB-CB 4.16Å; H172-L196 PolarHBondContact CD2-O 3.25Å; H172-L196 VanDerWaalsContact CD2-O 3.26Å; H172-H340 AromaticContact CE1-CD2 3.72Å; H172-H340 AromaticContact CE1-NE2 3.55Å; H172-H340 AromaticContact NE2-CD2 3.64Å; H172-H340 AromaticContact NE2-CE1 3.96Å; H172-H340 AromaticContact NE2-NE2 3.5Å; H172-H340 PolarHBondContact NE2-NE2 3.46Å; H172-H340 PolarHBondContact NE2-O 2.77Å; H172-W341 AromaticContact CE1-CE3 3.75Å; H172-W341 AromaticContact CE1-CZ3 3.9Å; H172-Q343 PolarHBondContact CD2-OE1 2.97Å; H172-Q343 PolarHBondContact ND1-NE2 3.48Å
173D97.9Very high98.2Very high21 Ų2122 Ų2211%0.11212%0.12CC..Hα-helixtrans49.6-119.2178.9174.1-101.4000112.4G105 F106 G175 G176 T177 C198 H340G105-D173 WeakPolarHBondContact CA-OD1 3.19Å; F106-D173 PolarHBondContact N-OD1 3.07Å; D173-G175 VanDerWaalsContact C-N 3.32Å; D173-G175 PolarHBondContact O-N 3.16Å; D173-G176 CarbonylContact O-C 3.57Å; D173-G176 VanDerWaalsContact O-CA 3.3Å; D173-G176 WeakPolarHBondContact O-CA 3.46Å; D173-G176 PolarHBondContact O-N 2.88Å; D173-T177 PolarHBondContact O-N 3.14Å; D173-C198 PolarHBondContact O-SG 3.49Å; D173-H340 IonicContact OD2-NE2 2.7Å
174W98.1Very high98.2Very high9 Ų920 Ų203%0.0349%0.093CC..Hα-helixtrans-61.1-39.2175.5-84.2108.8000112.6M131 L148 H172 G176 T177 I178 F221 Y284 Y285 V288M131-W174 HydrophobicContact CE-CB 4.28Å; L148-W174 HydrophobicContact CD2-CZ3 4.17Å; H172-W174 PolarHBondContact O-N 3.01Å; W174-G176 PolarHBondContact O-N 3.12Å; W174-T177 HydrophobicContact CE3-CG2 4.36Å; W174-T177 HydrophobicContact CZ3-CG2 4.38Å; W174-T177 WeakPolarHBondContact O-CB 3.44Å; W174-T177 PolarHBondContact O-N 2.92Å; W174-T177 VanDerWaalsContact O-N 3.12Å; W174-I178 WeakPolarHBondContact O-CG1 3.05Å; W174-I178 PolarHBondContact O-N 3.49Å; W174-F221 HydrophobicContact CH2-CE2 4.18Å; W174-F221 HydrophobicContact CZ2-CD2 4.49Å; W174-F221 AromaticContact CZ2-CE2 3.74Å; W174-F221 HydrophobicContact CZ2-CE2 3.74Å; W174-Y284 HydrophobicContact CB-CD1 4.04Å; W174-Y284 HydrophobicContact CB-CE1 4.48Å; W174-Y284 AromaticContact CD2-CD1 3.96Å; W174-Y284 HydrophobicContact CD2-CD1 3.96Å; W174-Y284 HydrophobicContact CD2-CG 4.47Å; W174-Y284 HydrophobicContact CE3-CD1 4.15Å; W174-Y284 AromaticContact CG-CD1 3.92Å; W174-Y284 HydrophobicContact CG-CD1 3.92Å; W174-Y284 WeakPolarHBondContact CH2-O 3.42Å; W174-Y285 AromaticContact CD1-CZ 3.93Å; W174-Y285 AromaticContact CZ2-CD1 3.76Å; W174-Y285 HydrophobicContact CZ2-CD1 3.76Å; W174-Y285 HydrophobicContact CZ2-CD2 4.34Å; W174-Y285 AromaticContact CZ2-CE1 3.99Å; W174-Y285 HydrophobicContact CZ2-CE1 3.99Å; W174-Y285 AromaticContact CZ2-CG 3.95Å; W174-Y285 HydrophobicContact CZ2-CG 3.95Å; W174-Y285 AromaticContact NE1-CD1 3.97Å; W174-Y285 AromaticContact NE1-CD2 3.75Å; W174-Y285 AromaticContact NE1-CE1 3.45Å; W174-Y285 AromaticContact NE1-CE2 3.21Å; W174-Y285 AromaticContact NE1-CZ 3.05Å; W174-Y285 PolarHBondContact NE1-OH 2.97Å; W174-V288 HydrophobicContact CH2-CB 4.02Å; W174-V288 HydrophobicContact CH2-CG2 3.79Å
175G98.6Very high98.1Very high0 Ų021.6 Ų21.60%010%0.102CC..Hα-helixtrans-61.3-31.3170.900000112.2H104 H172 D173 A179H104-G175 WeakPolarHBondContact O-CA 3.36Å; H104-G175 PolarHBondContact O-N 2.86Å; H172-G175 CarbonylContact O-C 3.59Å; H172-G175 VanDerWaalsContact O-CA 3.31Å; H172-G175 WeakPolarHBondContact O-CA 3.18Å; H172-G175 PolarHBondContact O-N 2.89Å; D173-G175 VanDerWaalsContact C-N 3.32Å; D173-G175 PolarHBondContact O-N 3.16Å; G175-A179 WeakPolarHBondContact O-CB 3.43Å; G175-A179 PolarHBondContact O-N 2.71Å
176G98.4Very high98.1Very high0 Ų017.7 Ų17.70%08%0.077CC..Hα-helixtrans-65.9-46.1170.100000112.5H172 D173 W174 I178 A179 W180H172-G176 VanDerWaalsContact C-N 3.32Å; H172-G176 PolarHBondContact O-N 3.04Å; D173-G176 CarbonylContact O-C 3.57Å; D173-G176 VanDerWaalsContact O-CA 3.3Å; D173-G176 WeakPolarHBondContact O-CA 3.46Å; D173-G176 PolarHBondContact O-N 2.88Å; W174-G176 PolarHBondContact O-N 3.12Å; G176-I178 VanDerWaalsContact C-N 3.34Å; G176-I178 PolarHBondContact O-N 3.1Å; G176-A179 PolarHBondContact O-N 3.21Å; G176-W180 PolarHBondContact O-N 3.41Å
177T97.2Very high98Very high26 Ų2612.2 Ų12.216%0.166%0.061CC..Hα-helixtrans-59.1-46.8175.2-68.10000110.9L148 D173 W174 W180 L181 C198 P201L148-T177 HydrophobicContact CD2-CG2 4.32Å; D173-T177 PolarHBondContact O-N 3.14Å; W174-T177 HydrophobicContact CE3-CG2 4.36Å; W174-T177 HydrophobicContact CZ3-CG2 4.38Å; W174-T177 WeakPolarHBondContact O-CB 3.44Å; W174-T177 PolarHBondContact O-N 2.92Å; W174-T177 VanDerWaalsContact O-N 3.12Å; T177-W180 PolarHBondContact O-N 3.5Å; T177-L181 HydrophobicContact CG2-CD1 4.1Å; T177-L181 WeakPolarHBondContact O-CG 3.23Å; T177-L181 PolarHBondContact O-N 3.26Å; T177-C198 PolarHBondContact N-SG 3.27Å; T177-C198 PolarHBondContact OG1-SG 3.12Å; T177-C198 VanDerWaalsContact OG1-SG 3.35Å; T177-P201 HydrophobicContact CG2-CG 4.19Å
178I98.1Very high97.9Very high3 Ų316.7 Ų16.72%0.0158%0.082CC..Hα-helixtrans-64.9-42178.1-65.6160.9000110.5L103 M131 L151 V152 V155 W174 G176 W180 L181 F182 Y284L103-I178 HydrophobicContact CD1-CB 4.45Å; L103-I178 HydrophobicContact CD1-CG2 4.03Å; M131-I178 HydrophobicContact CE-CD1 4.39Å; M131-I178 HydrophobicContact SD-CD1 3.73Å; L151-I178 HydrophobicContact CB-CD1 4Å; L151-I178 HydrophobicContact CB-CG1 4.22Å; L151-I178 HydrophobicContact CD1-CD1 4.16Å; V152-I178 HydrophobicContact CG2-CG2 4.18Å; V155-I178 HydrophobicContact CG2-CG2 3.74Å; W174-I178 WeakPolarHBondContact O-CG1 3.05Å; W174-I178 PolarHBondContact O-N 3.49Å; G176-I178 VanDerWaalsContact C-N 3.34Å; G176-I178 PolarHBondContact O-N 3.1Å; I178-W180 PolarHBondContact O-N 2.79Å; I178-L181 PolarHBondContact O-N 3.19Å; I178-F182 VanDerWaalsContact O-CB 3.27Å; I178-F182 WeakPolarHBondContact O-CB 3.41Å; I178-F182 PolarHBondContact O-N 2.83Å; I178-Y284 HydrophobicContact CD1-CE1 3.82Å
179A98.6Very high97.9Very high0 Ų017.1 Ų17.10%08%0.084CC..Hα-helixtrans-63.9-39.2177.700000112.8L103 L169 G175 G176 F182 A183 L193L103-A179 HydrophobicContact CD1-CB 4.35Å; L169-A179 HydrophobicContact CD2-CB 3.75Å; L169-A179 HydrophobicContact CG-CB 3.89Å; G175-A179 WeakPolarHBondContact O-CB 3.43Å; G175-A179 PolarHBondContact O-N 2.71Å; G176-A179 PolarHBondContact O-N 3.21Å; A179-F182 PolarHBondContact O-N 2.95Å; A179-A183 WeakPolarHBondContact O-CB 3.27Å; A179-A183 PolarHBondContact O-N 2.87Å; A179-L193 HydrophobicContact CB-CD1 3.8Å
180W98.1Very high97.9Very high0 Ų017.4 Ų17.40%09%0.085CC..Hα-helixtrans-59.1-51.4171-77.7123.6000111.6G176 T177 I178 F182 A183 I184 L193 V195 C198 P199 H200 P201 V299 V303 I326G176-W180 PolarHBondContact O-N 3.41Å; T177-W180 PolarHBondContact O-N 3.5Å; I178-W180 PolarHBondContact O-N 2.79Å; W180-F182 VanDerWaalsContact C-N 3.33Å; W180-F182 PolarHBondContact O-N 3.42Å; W180-A183 PolarHBondContact O-N 3.01Å; W180-I184 WeakPolarHBondContact O-CD1 2.99Å; W180-I184 VanDerWaalsContact O-CG1 3.29Å; W180-I184 WeakPolarHBondContact O-CG1 3.48Å; W180-I184 PolarHBondContact O-N 3.15Å; W180-I184 VanDerWaalsContact O-N 3.1Å; W180-L193 HydrophobicContact CD2-CD2 4.14Å; W180-L193 HydrophobicContact CE3-CD2 3.45Å; W180-L193 VanDerWaalsContact CE3-CD2 3.45Å; W180-L193 HydrophobicContact CH2-CD2 4.39Å; W180-L193 HydrophobicContact CZ3-CD2 3.6Å; W180-V195 HydrophobicContact CD2-CG2 4.17Å; W180-V195 HydrophobicContact CZ2-CB 4.25Å; W180-V195 HydrophobicContact CZ2-CG2 4.03Å; W180-C198 PolarHBondContact NE1-O 2.89Å; W180-P199 PolarHBondContact NE1-O 3.47Å; W180-H200 HydrophobicContact CD2-CB 4.45Å; W180-H200 AromaticContact CE3-CD2 3.8Å; W180-P201 HydrophobicContact CB-CG 4.05Å; W180-V299 HydrophobicContact CE3-CG2 3.71Å; W180-V299 HydrophobicContact CZ3-CB 4.41Å; W180-V299 HydrophobicContact CZ3-CG2 3.84Å; W180-V303 HydrophobicContact CH2-CG1 3.58Å; W180-V303 HydrophobicContact CZ2-CG1 4.41Å; W180-V303 HydrophobicContact CZ3-CG1 3.99Å; W180-V303 HydrophobicContact CZ3-CG2 4.19Å; W180-I326 HydrophobicContact CH2-CD1 3.73Å; W180-I326 HydrophobicContact CH2-CG1 4.3Å; W180-I326 HydrophobicContact CZ3-CD1 4.14Å; W180-I326 HydrophobicContact CZ3-CG1 4.21Å
181L97Very high97.9Very high12 Ų1220.7 Ų20.76%0.06311%0.105CC..Hα-helixtrans-65.1-37.6-179.2-67.5171.3000111.9L148 V152 T177 I178 I184 H185 P201L148-L181 HydrophobicContact CB-CD1 4.13Å; L148-L181 HydrophobicContact CD1-CD1 3.87Å; L148-L181 HydrophobicContact CD2-CD1 4.04Å; L148-L181 HydrophobicContact CG-CD1 4.25Å; V152-L181 HydrophobicContact CG2-CB 3.6Å; V152-L181 HydrophobicContact CG2-CD1 4.28Å; T177-L181 HydrophobicContact CG2-CD1 4.1Å; T177-L181 WeakPolarHBondContact O-CG 3.23Å; T177-L181 PolarHBondContact O-N 3.26Å; I178-L181 PolarHBondContact O-N 3.19Å; L181-I184 HydrophobicContact CD2-CD1 4.45Å; L181-I184 WeakPolarHBondContact O-CB 3.3Å; L181-I184 PolarHBondContact O-N 2.87Å; L181-H185 PolarHBondContact O-N 2.8Å; L181-H185 PolarHBondContact O-ND1 2.89Å; L181-P201 HydrophobicContact CD2-CG 4.22Å; L181-P201 HydrophobicContact CG-CG 4.2Å
182F98.3Very high97.8Very high0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-61.4-47.9174.9-175-90000111.2V152 V155 K156 L169 I178 A179 W180 I184 H185 Y186 M189 V190V152-F182 HydrophobicContact CG1-CB 4.37Å; V152-F182 HydrophobicContact CG1-CD2 4.26Å; V155-F182 HydrophobicContact CB-CD2 3.79Å; V155-F182 HydrophobicContact CB-CE2 4.04Å; V155-F182 HydrophobicContact CG1-CD2 3.62Å; V155-F182 HydrophobicContact CG1-CE2 3.73Å; V155-F182 HydrophobicContact CG1-CG 4.05Å; V155-F182 HydrophobicContact CG1-CZ 4.23Å; K156-F182 HydrophobicContact CB-CE2 3.85Å; L169-F182 HydrophobicContact CD2-CB 3.94Å; L169-F182 HydrophobicContact CD2-CD1 3.49Å; L169-F182 VanDerWaalsContact CD2-CD1 3.49Å; L169-F182 HydrophobicContact CD2-CE1 4.3Å; L169-F182 HydrophobicContact CD2-CG 3.93Å; I178-F182 VanDerWaalsContact O-CB 3.27Å; I178-F182 WeakPolarHBondContact O-CB 3.41Å; I178-F182 PolarHBondContact O-N 2.83Å; A179-F182 PolarHBondContact O-N 2.95Å; W180-F182 VanDerWaalsContact C-N 3.33Å; W180-F182 PolarHBondContact O-N 3.42Å; F182-I184 PolarHBondContact O-N 2.86Å; F182-H185 PolarHBondContact O-N 2.78Å; F182-Y186 AromaticContact CD2-CD2 3.65Å; F182-Y186 HydrophobicContact CD2-CD2 3.65Å; F182-Y186 HydrophobicContact CD2-CE2 4.33Å; F182-Y186 AromaticContact CE2-CD2 3.57Å; F182-Y186 HydrophobicContact CE2-CD2 3.57Å; F182-Y186 HydrophobicContact CE2-CE2 4.3Å; F182-Y186 HydrophobicContact CE2-CG 4.22Å; F182-Y186 HydrophobicContact CG-CD2 4.35Å; F182-Y186 HydrophobicContact CZ-CD2 4.22Å; F182-Y186 HydrophobicContact CZ-CG 4.47Å; F182-Y186 PolarHBondContact O-N 3.21Å; F182-M189 HydrophobicContact CE1-CB 3.86Å; F182-M189 HydrophobicContact CZ-CB 3.84Å; F182-M189 HydrophobicContact CZ-CE 4.28Å; F182-M189 HydrophobicContact CZ-SD 3.98Å; F182-V190 HydrophobicContact CD1-CG2 3.5Å; F182-V190 VanDerWaalsContact CD1-CG2 3.5Å; F182-V190 HydrophobicContact CE1-CG2 3.56Å
183A97.9Very high97.8Very high0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-65.9-21.2177.800000113.8A179 W180 P187 V190 L193 V299A179-A183 WeakPolarHBondContact O-CB 3.27Å; A179-A183 PolarHBondContact O-N 2.87Å; W180-A183 PolarHBondContact O-N 3.01Å; A183-P187 WeakPolarHBondContact O-CA 3.27Å; A183-V190 HydrophobicContact CB-CG1 4.48Å; A183-V190 HydrophobicContact CB-CG2 4.05Å; A183-L193 HydrophobicContact CB-CD1 4.46Å; A183-L193 HydrophobicContact CB-CD2 3.86Å; A183-V299 HydrophobicContact CB-CG1 4.03Å; A183-V299 HydrophobicContact CB-CG2 4.42Å
184I96.3Very high97.9Very high21 Ų2121.1 Ų21.111%0.10811%0.106CC..Hα-helixtrans-78-44.6172.6-72.6164.4000111.5W180 L181 F182 H200 R297 V299W180-I184 WeakPolarHBondContact O-CD1 2.99Å; W180-I184 VanDerWaalsContact O-CG1 3.29Å; W180-I184 WeakPolarHBondContact O-CG1 3.48Å; W180-I184 PolarHBondContact O-N 3.15Å; W180-I184 VanDerWaalsContact O-N 3.1Å; L181-I184 HydrophobicContact CD2-CD1 4.45Å; L181-I184 WeakPolarHBondContact O-CB 3.3Å; L181-I184 PolarHBondContact O-N 2.87Å; F182-I184 PolarHBondContact O-N 2.86Å; I184-H200 WeakPolarHBondContact CD1-NE2 3.26Å; I184-R297 HydrophobicContact CD1-CB 4.33Å; I184-R297 HydrophobicContact CG1-CB 4.31Å; I184-R297 HydrophobicContact CG2-CB 3.45Å; I184-R297 VanDerWaalsContact CG2-CB 3.45Å; I184-R297 VanDerWaalsContact CG2-CD 3.42Å; I184-R297 HydrophobicContact CG2-CG 4.06Å; I184-V299 HydrophobicContact CG1-CG2 3.87Å
185H96.3Very high97.9Very high76 Ų7620.7 Ų20.735%0.35211%0.105SC..Hα-helixtrans-85.8-33.3-172.8-69.491.1000113.2L181 F182 P187L181-H185 PolarHBondContact O-N 2.8Å; L181-H185 PolarHBondContact O-ND1 2.89Å; F182-H185 PolarHBondContact O-N 2.78Å; H185-P187 WeakPolarHBondContact O-CD 3.37Å
186Y97.4Very high97.9Very high55 Ų5520.7 Ų20.722%0.21611%0.105CC..  trans-126.656.8-178.6-52.6-68.8000111.2V152 K156 F182 E188 M189V152-Y186 HydrophobicContact CG1-CD2 4.29Å; V152-Y186 HydrophobicContact CG1-CE2 3.87Å; K156-Y186 HydrophobicContact CB-CD2 4.41Å; K156-Y186 HydrophobicContact CB-CE2 4.08Å; K156-Y186 HydrophobicContact CD-CD1 4.23Å; K156-Y186 HydrophobicContact CD-CE1 3.65Å; K156-Y186 HydrophobicContact CD-CE2 4.14Å; F182-Y186 AromaticContact CD2-CD2 3.65Å; F182-Y186 HydrophobicContact CD2-CD2 3.65Å; F182-Y186 HydrophobicContact CD2-CE2 4.33Å; F182-Y186 AromaticContact CE2-CD2 3.57Å; F182-Y186 HydrophobicContact CE2-CD2 3.57Å; F182-Y186 HydrophobicContact CE2-CE2 4.3Å; F182-Y186 HydrophobicContact CE2-CG 4.22Å; F182-Y186 HydrophobicContact CG-CD2 4.35Å; F182-Y186 HydrophobicContact CZ-CD2 4.22Å; F182-Y186 HydrophobicContact CZ-CG 4.47Å; F182-Y186 PolarHBondContact O-N 3.21Å; Y186-E188 WeakPolarHBondContact CA-OE1 3.33Å; Y186-E188 PolarHBondContact O-N 3Å; Y186-E188 VanDerWaalsContact O-N 3.12Å; Y186-M189 HydrophobicContact CD1-SD 4.44Å; Y186-M189 HydrophobicContact CG-SD 4.24Å; Y186-M189 PolarHBondContact O-N 2.87Å
187P96.8Very high97.8Very high30 Ų3020.7 Ų20.720%0.19511%0.105CC..G310 helixtrans-59.6-27-174.125.5-35.3000113.3A183 H185 M189 R300A183-P187 WeakPolarHBondContact O-CA 3.27Å; H185-P187 WeakPolarHBondContact O-CD 3.37Å; P187-M189 VanDerWaalsContact C-N 3.3Å; P187-R300 HydrophobicContact CB-CB 4.32Å
188E97.6Very high97.8Very high95 Ų9519.7 Ų19.744%0.44410%0.099SC..G310 helixtrans-69.9-23.8175.966.7-69.1158.400113.7R166 Y186R166-E188 WeakPolarHBondContact CD-O 3.44Å; R166-E188 VanDerWaalsContact CG-O 3.25Å; R166-E188 WeakPolarHBondContact CG-O 3.28Å; R166-E188 PolarHBondContact NE-O 3.06Å; R166-E188 PolarHBondContact NH1-O 2.65Å; Y186-E188 WeakPolarHBondContact CA-OE1 3.33Å; Y186-E188 PolarHBondContact O-N 3Å; Y186-E188 VanDerWaalsContact O-N 3.12Å
189M98.5Very high97.7Very high12 Ų1219.7 Ų19.76%0.05910%0.099CC..G310 helixtrans-87.4-3.1-180-61.6-175.375.300113.2K156 V159 E160 R166 C167 F182 Y186 P187K156-M189 HydrophobicContact CG-CE 4.12Å; K156-M189 HydrophobicContact CG-SD 3.92Å; V159-M189 HydrophobicContact CB-CE 3.99Å; V159-M189 HydrophobicContact CG1-CE 3.64Å; E160-M189 HydrophobicContact CG-CE 4.03Å; R166-M189 CarbonylContact C-O 3.6Å; R166-M189 WeakPolarHBondContact CA-O 3.29Å; C167-M189 PolarHBondContact N-O 2.82Å; F182-M189 HydrophobicContact CE1-CB 3.86Å; F182-M189 HydrophobicContact CZ-CB 3.84Å; F182-M189 HydrophobicContact CZ-CE 4.28Å; F182-M189 HydrophobicContact CZ-SD 3.98Å; Y186-M189 HydrophobicContact CD1-SD 4.44Å; Y186-M189 HydrophobicContact CG-SD 4.24Å; Y186-M189 PolarHBondContact O-N 2.87Å; P187-M189 VanDerWaalsContact C-N 3.3Å
190V98.5Very high97.6Very high6 Ų619.7 Ų19.74%0.03610%0.099CC..EExtended strand (participates in β ladder)trans-113.3113.2-177.9-175.90000110.5L169 F182 A183 K192 L193L169-V190 HydrophobicContact CB-CG1 4.41Å; L169-V190 HydrophobicContact CD2-CG2 4.49Å; F182-V190 HydrophobicContact CD1-CG2 3.5Å; F182-V190 VanDerWaalsContact CD1-CG2 3.5Å; F182-V190 HydrophobicContact CE1-CG2 3.56Å; A183-V190 HydrophobicContact CB-CG1 4.48Å; A183-V190 HydrophobicContact CB-CG2 4.05Å; V190-K192 WeakPolarHBondContact CG1-O 3.49Å; V190-L193 HydrophobicContact CG1-CB 4.08Å
191T97.9Very high97.3Very high68 Ų6820 Ų2042%0.41710%0.101SC..EExtended strand (participates in β ladder)trans-77-44.1174.659.90000111.2R166 C167 C168 P302R166-T191 HydrophobicContact CB-CG2 3.68Å; C167-T191 VanDerWaalsContact C-OG1 3.32Å; C167-T191 PolarHBondContact O-N 2.8Å; C167-T191 PolarHBondContact O-OG1 3.16Å; C167-T191 VanDerWaalsContact O-OG1 3.07Å; C168-T191 PolarHBondContact N-OG1 3.43Å; T191-P302 WeakPolarHBondContact O-CD 2.83Å
192K98.5Very high97.1Very high30 Ų3019.6 Ų19.613%0.1310%0.099CC..EExtended strand (participates in β ladder)trans-147.6139.9177.4-78.9179.5-177.3-87.90108.1C168 L169 V190 P302 F357 L358C168-K192 WeakPolarHBondContact CA-O 3.45Å; L169-K192 PolarHBondContact N-O 2.84Å; V190-K192 WeakPolarHBondContact CG1-O 3.49Å; K192-P302 HydrophobicContact CG-CB 4.45Å; K192-F357 HydrophobicContact CB-CE1 3.89Å; K192-F357 HydrophobicContact CB-CZ 4.41Å; K192-F357 HydrophobicContact CD-CD1 4.26Å; K192-F357 HydrophobicContact CD-CE1 3.85Å; K192-F357 HydrophobicContact CD-CZ 4.39Å; K192-F357 HydrophobicContact CG-CE1 3.99Å; K192-F357 HydrophobicContact CG-CZ 4.26Å; K192-F357 PolarHBondContact NZ-O 2.97Å; K192-L358 HydrophobicContact CD-CD2 3.69Å; K192-L358 WeakPolarHBondContact CE-O 3.32Å; K192-L358 PolarHBondContact NZ-O 3.35Å
193L98.9Very high96.8Very high0 Ų019.9 Ų19.90%010%0.101CC..EExtended strand (participates in β ladder)trans-109130.3174.6179.165.6000109L169 A179 W180 A183 V190 V195 V299 P302 V303 L304L169-L193 HydrophobicContact CB-CD1 4.24Å; L169-L193 HydrophobicContact CD2-CD1 4.34Å; L169-L193 HydrophobicContact CG-CD1 4.36Å; A179-L193 HydrophobicContact CB-CD1 3.8Å; W180-L193 HydrophobicContact CD2-CD2 4.14Å; W180-L193 HydrophobicContact CE3-CD2 3.45Å; W180-L193 VanDerWaalsContact CE3-CD2 3.45Å; W180-L193 HydrophobicContact CH2-CD2 4.39Å; W180-L193 HydrophobicContact CZ3-CD2 3.6Å; A183-L193 HydrophobicContact CB-CD1 4.46Å; A183-L193 HydrophobicContact CB-CD2 3.86Å; V190-L193 HydrophobicContact CG1-CB 4.08Å; L193-V195 HydrophobicContact CD1-CG2 4.01Å; L193-V195 HydrophobicContact CD2-CG2 4.18Å; L193-V195 HydrophobicContact CG-CG2 3.89Å; L193-V299 HydrophobicContact CD2-CG1 4.16Å; L193-P302 PolarHBondContact N-O 3.41Å; L193-V303 HydrophobicContact CB-CG2 4.19Å; L193-V303 HydrophobicContact CD2-CG1 4.29Å; L193-V303 HydrophobicContact CD2-CG2 4.1Å; L193-V303 HydrophobicContact CG-CG1 4.41Å; L193-V303 CarbonylContact O-C 3.54Å; L193-V303 VanDerWaalsContact O-CA 3.29Å; L193-V303 WeakPolarHBondContact O-CA 3.42Å; L193-L304 PolarHBondContact O-N 3.33Å
194I98.9Very high96.5Very high0 Ų021.8 Ų21.80%011%0.109CC..EExtended strand (participates in β ladder)trans-125.7121.5176.8-57.9172.7000107.1L169 V170 G171 L196 L304 I354 F357 L358L169-I194 PolarHBondContact O-N 2.91Å; V170-I194 CarbonylContact C-O 3.56Å; V170-I194 VanDerWaalsContact CA-O 3.25Å; V170-I194 WeakPolarHBondContact CA-O 3.44Å; V170-I194 HydrophobicContact CB-CB 4.46Å; V170-I194 HydrophobicContact CG1-CB 4.16Å; V170-I194 HydrophobicContact CG1-CG2 4.08Å; V170-I194 HydrophobicContact CG2-CB 4.16Å; V170-I194 HydrophobicContact CG2-CD1 4.18Å; G171-I194 PolarHBondContact N-O 2.84Å; I194-L196 HydrophobicContact CG2-CD1 3.79Å; I194-L304 CarbonylContact C-O 3.6Å; I194-L304 WeakPolarHBondContact CA-O 3.37Å; I194-L304 HydrophobicContact CG1-CB 4.25Å; I194-L304 HydrophobicContact CG2-CB 4.43Å; I194-L304 HydrophobicContact CG2-CD2 4.09Å; I194-L304 HydrophobicContact CG2-CG 4.41Å; I194-I354 HydrophobicContact CD1-CB 4.44Å; I194-I354 HydrophobicContact CD1-CG1 4.21Å; I194-I354 HydrophobicContact CD1-CG2 3.69Å; I194-I354 HydrophobicContact CG2-CD1 4.22Å; I194-I354 HydrophobicContact CG2-CG1 4.03Å; I194-F357 HydrophobicContact CD1-CD1 4.24Å; I194-F357 HydrophobicContact CD1-CE1 4.48Å; I194-F357 HydrophobicContact CG1-CD1 4.04Å; I194-F357 HydrophobicContact CG1-CE1 3.92Å; I194-L358 HydrophobicContact CD1-CD2 4.45Å
195V98.9Very high96.1Very high0 Ų021.6 Ų21.60%011%0.109CC..EExtended strand (participates in β ladder)trans-123.9133.7-179.7-175.80000110G171 W180 L193 C198 L304 L305 L306G171-V195 CarbonylContact O-C 3.45Å; G171-V195 WeakPolarHBondContact O-CA 3.43Å; W180-V195 HydrophobicContact CD2-CG2 4.17Å; W180-V195 HydrophobicContact CZ2-CB 4.25Å; W180-V195 HydrophobicContact CZ2-CG2 4.03Å; L193-V195 HydrophobicContact CD1-CG2 4.01Å; L193-V195 HydrophobicContact CD2-CG2 4.18Å; L193-V195 HydrophobicContact CG-CG2 3.89Å; V195-C198 HydrophobicContact CG1-CB 3.68Å; V195-C198 WeakPolarHBondContact CG1-O 3.37Å; V195-L304 PolarHBondContact N-O 2.78Å; V195-L305 HydrophobicContact CB-CD1 4.02Å; V195-L305 HydrophobicContact CG1-CD1 4.13Å; V195-L305 WeakPolarHBondContact O-CA 3.4Å; V195-L306 PolarHBondContact O-N 3.41Å
196L98.7Very high95.7Very high0 Ų020 Ų200%010%0.103CC..EExtended strand (participates in β ladder)trans-111.5125.6177.2-75.864.1000108.5W113 V170 G171 H172 I194 C198 L306 L342 Q343 V350W113-L196 HydrophobicContact CH2-CD1 4.45Å; W113-L196 HydrophobicContact CH2-CD2 3.98Å; W113-L196 HydrophobicContact CZ3-CD2 3.9Å; V170-L196 HydrophobicContact CG1-CD1 4.23Å; G171-L196 PolarHBondContact O-N 3.01Å; H172-L196 WeakPolarHBondContact CA-O 3.33Å; H172-L196 HydrophobicContact CB-CB 4.16Å; H172-L196 PolarHBondContact CD2-O 3.25Å; H172-L196 VanDerWaalsContact CD2-O 3.26Å; I194-L196 HydrophobicContact CG2-CD1 3.79Å; L196-C198 VanDerWaalsContact C-N 3.3Å; L196-C198 PolarHBondContact O-N 3.23Å; L196-C198 VanDerWaalsContact O-N 3.15Å; L196-L306 WeakPolarHBondContact CA-O 3.31Å; L196-L306 HydrophobicContact CD1-CB 4.48Å; L196-L306 HydrophobicContact CD1-CD1 4.13Å; L196-L306 HydrophobicContact CG-CB 4.12Å; L196-L306 HydrophobicContact CG-CD1 4.19Å; L196-L342 HydrophobicContact CB-CD1 4.14Å; L196-L342 HydrophobicContact CD2-CB 4.11Å; L196-L342 HydrophobicContact CG-CD1 4.18Å; L196-Q343 HydrophobicContact CD2-CB 3.76Å; L196-V350 HydrophobicContact CD2-CG1 3.99Å
197N95.8Very high95.3Very high0 Ų018.7 Ų18.70%010%0.098CC..SBendtrans42.851.5174.5-78.770.7000114.3L306 W307 G308 D311 L314 L342N197-L306 PolarHBondContact N-O 3.21Å; N197-W307 WeakPolarHBondContact OD1-CA 3.42Å; N197-G308 PolarHBondContact ND2-N 3.02Å; N197-G308 VanDerWaalsContact ND2-N 3.19Å; N197-G308 PolarHBondContact OD1-N 3.43Å; N197-D311 WeakPolarHBondContact ND2-CB 3.31Å; N197-D311 PolarHBondContact ND2-OD2 2.86Å; N197-L314 WeakPolarHBondContact O-CD1 3.38Å; N197-L342 WeakPolarHBondContact OD1-CD1 3.49Å; N197-L342 WeakPolarHBondContact OD1-CG 3.35Å
198C96.9Very high94.8Very high5 Ų518 Ų183%0.03410%0.095CC..  trans-151.4116.3173.3-173.10000110.1D173 T177 W180 V195 L196D173-C198 PolarHBondContact O-SG 3.49Å; T177-C198 PolarHBondContact N-SG 3.27Å; T177-C198 PolarHBondContact OG1-SG 3.12Å; T177-C198 VanDerWaalsContact OG1-SG 3.35Å; W180-C198 PolarHBondContact NE1-O 2.89Å; V195-C198 HydrophobicContact CG1-CB 3.68Å; V195-C198 WeakPolarHBondContact CG1-O 3.37Å; L196-C198 VanDerWaalsContact C-N 3.3Å; L196-C198 PolarHBondContact O-N 3.23Å; L196-C198 VanDerWaalsContact O-N 3.15Å
199P96.5Very high94.2Very high4 Ų420.2 Ų20.23%0.02611%0.109CC..  trans-70.7159.5178.332.7-37.4000110.7W180 V203 F204 W307 M318W180-P199 PolarHBondContact NE1-O 3.47Å; P199-V203 HydrophobicContact CB-CB 4.45Å; P199-V203 HydrophobicContact CB-CG1 4.34Å; P199-F204 HydrophobicContact CG-CB 3.89Å; P199-F204 HydrophobicContact CG-CD2 4.08Å; P199-F204 HydrophobicContact CG-CG 4.45Å; P199-W307 HydrophobicContact CB-CH2 4.07Å; P199-W307 HydrophobicContact CB-CZ3 4.14Å; P199-W307 HydrophobicContact CG-CH2 4.25Å; P199-M318 HydrophobicContact CB-CB 3.88Å; P199-M318 HydrophobicContact CB-SD 4.27Å; P199-M318 HydrophobicContact CG-CE 4.33Å; P199-M318 HydrophobicContact CG-SD 3.97Å
200H96.1Very high93.7Very high0 Ų027.6 Ų27.60%014%0.136CC..  trans-54.5136.2168-176.5-86.4000109.7W180 I184 S202 V203 F204 R297 C322 Y325W180-H200 HydrophobicContact CD2-CB 4.45Å; W180-H200 AromaticContact CE3-CD2 3.8Å; I184-H200 WeakPolarHBondContact CD1-NE2 3.26Å; H200-S202 VanDerWaalsContact C-N 3.29Å; H200-S202 PolarHBondContact CE1-OG 2.96Å; H200-S202 PolarHBondContact ND1-N 2.9Å; H200-S202 PolarHBondContact O-N 3.35Å; H200-S202 VanDerWaalsContact O-N 3.15Å; H200-V203 HydrophobicContact CB-CB 4.38Å; H200-V203 HydrophobicContact CB-CG2 4Å; H200-V203 WeakPolarHBondContact O-CA 3.33Å; H200-V203 VanDerWaalsContact O-CB 3.3Å; H200-V203 WeakPolarHBondContact O-CB 3.38Å; H200-V203 PolarHBondContact O-N 3.12Å; H200-F204 PolarHBondContact O-N 2.97Å; H200-R297 PolarHBondContact CE1-O 3.47Å; H200-R297 PolarHBondContact NE2-O 3.35Å; H200-C322 HydrophobicContact CB-CB 4.36Å; H200-C322 PolarHBondContact N-SG 3.46Å; H200-Y325 AromaticContact CE1-CD1 3.7Å; H200-Y325 AromaticContact CE1-CG 3.71Å; H200-Y325 AromaticContact ND1-CD1 3.95Å; H200-Y325 AromaticContact ND1-CD2 3.88Å; H200-Y325 AromaticContact ND1-CG 3.63Å
201P92.6Very high93.3Very high7 Ų730.4 Ų30.45%0.04515%0.149CC..Hα-helixtrans-60.2-33.9-170-26.233.6000114.8T177 W180 L181 F204 T205 L294T177-P201 HydrophobicContact CG2-CG 4.19Å; W180-P201 HydrophobicContact CB-CG 4.05Å; L181-P201 HydrophobicContact CD2-CG 4.22Å; L181-P201 HydrophobicContact CG-CG 4.2Å; P201-F204 PolarHBondContact O-N 3.32Å; P201-T205 PolarHBondContact O-N 2.86Å; P201-T205 VanDerWaalsContact O-N 3.1Å; P201-T205 PolarHBondContact O-OG1 3.34Å; P201-L294 HydrophobicContact CB-CD1 3.24Å; P201-L294 HydrophobicContact CG-CD1 4.31Å
202S91.1Very high92.9Very high2 Ų231.8 Ų31.81%0.01416%0.159CC..Hα-helixtrans-65.5-37.2172.4-51.70000112.3H200 T205 D206H200-S202 VanDerWaalsContact C-N 3.29Å; H200-S202 PolarHBondContact CE1-OG 2.96Å; H200-S202 PolarHBondContact ND1-N 2.9Å; H200-S202 PolarHBondContact O-N 3.35Å; H200-S202 VanDerWaalsContact O-N 3.15Å; S202-T205 PolarHBondContact O-N 2.73Å; S202-D206 WeakPolarHBondContact O-CB 3.44Å; S202-D206 PolarHBondContact O-N 3.41Å
203V93.4Very high92.6Very high7 Ų732.9 Ų32.94%0.04217%0.171CC..Hα-helixtrans-64.3-46.6175.1174.20000110.3P199 H200 T205 D206 Y207 M318 A321 Y325P199-V203 HydrophobicContact CB-CB 4.45Å; P199-V203 HydrophobicContact CB-CG1 4.34Å; H200-V203 HydrophobicContact CB-CB 4.38Å; H200-V203 HydrophobicContact CB-CG2 4Å; H200-V203 WeakPolarHBondContact O-CA 3.33Å; H200-V203 VanDerWaalsContact O-CB 3.3Å; H200-V203 WeakPolarHBondContact O-CB 3.38Å; H200-V203 PolarHBondContact O-N 3.12Å; V203-T205 VanDerWaalsContact C-N 3.32Å; V203-T205 PolarHBondContact O-N 3.46Å; V203-D206 PolarHBondContact O-N 3.39Å; V203-Y207 WeakPolarHBondContact O-CB 3.39Å; V203-Y207 PolarHBondContact O-N 3.47Å; V203-M318 HydrophobicContact CG1-CB 3.83Å; V203-M318 HydrophobicContact CG1-CG 4.07Å; V203-A321 HydrophobicContact CG1-CB 3.73Å; V203-A321 HydrophobicContact CG2-CB 4.22Å; V203-Y325 HydrophobicContact CG2-CD2 3.57Å; V203-Y325 HydrophobicContact CG2-CE2 3.39Å
204F91.8Very high92.3Very high39 Ų3932.9 Ų32.917%0.17117%0.171CC..Hα-helixtrans-55.8-49.6178-178.3-100.9000111.5P199 H200 P201 D206 Y207 A208 F221 L314 M318P199-F204 HydrophobicContact CG-CB 3.89Å; P199-F204 HydrophobicContact CG-CD2 4.08Å; P199-F204 HydrophobicContact CG-CG 4.45Å; H200-F204 PolarHBondContact O-N 2.97Å; P201-F204 PolarHBondContact O-N 3.32Å; F204-D206 PolarHBondContact O-N 2.86Å; F204-Y207 PolarHBondContact O-N 3.43Å; F204-A208 WeakPolarHBondContact O-CB 3.44Å; F204-A208 PolarHBondContact O-N 3.44Å; F204-F221 AromaticContact CZ-CE1 3.98Å; F204-F221 HydrophobicContact CZ-CE1 3.98Å; F204-F221 HydrophobicContact CZ-CZ 4.07Å; F204-L314 HydrophobicContact CD2-CD2 4.07Å; F204-L314 HydrophobicContact CE2-CD2 3.84Å; F204-M318 HydrophobicContact CD2-SD 4.11Å
205T86.4Confident91.8Very high17 Ų1736.1 Ų36.110%0.10419%0.187CC..Hα-helixtrans-59.3-50.2-179.6-52.50000110.9P201 S202 V203 Y207 L209 L292 P293P201-T205 PolarHBondContact O-N 2.86Å; P201-T205 VanDerWaalsContact O-N 3.1Å; P201-T205 PolarHBondContact O-OG1 3.34Å; S202-T205 PolarHBondContact O-N 2.73Å; V203-T205 VanDerWaalsContact C-N 3.32Å; V203-T205 PolarHBondContact O-N 3.46Å; T205-Y207 PolarHBondContact O-N 3Å; T205-L209 HydrophobicContact CG2-CD1 4.4Å; T205-L209 VanDerWaalsContact O-CG 3.27Å; T205-L209 WeakPolarHBondContact O-CG 3.47Å; T205-L209 PolarHBondContact O-N 2.98Å; T205-L292 HydrophobicContact CG2-CD2 4.05Å; T205-L292 VanDerWaalsContact OG1-CD2 3.24Å; T205-L292 WeakPolarHBondContact OG1-CD2 3.4Å; T205-P293 HydrophobicContact CG2-CB 4.22Å
206D87.9Confident91.3Very high42 Ų4241.6 Ų41.623%0.22522%0.216CC..Hα-helixtrans-64.6-40-179.5-89.4-44.4000112.7S202 V203 F204 R210 H296 Y325S202-D206 WeakPolarHBondContact O-CB 3.44Å; S202-D206 PolarHBondContact O-N 3.41Å; V203-D206 PolarHBondContact O-N 3.39Å; F204-D206 PolarHBondContact O-N 2.86Å; D206-R210 VanDerWaalsContact C-NH1 3.31Å; D206-R210 VanDerWaalsContact CA-NH1 3.3Å; D206-R210 WeakPolarHBondContact O-CG 3.39Å; D206-R210 PolarHBondContact O-NH1 3.04Å; D206-R210 IonicContact OD1-CZ 3.72Å; D206-R210 IonicContact OD1-NH1 3.79Å; D206-R210 PolarHBondContact OD1-NH1 3.16Å; D206-R210 IonicContact OD1-NH2 3.7Å; D206-H296 IonicContact OD2-CD2 3.55Å; D206-H296 IonicContact OD2-CE1 3.9Å; D206-H296 IonicContact OD2-NE2 3.86Å; D206-H296 PolarHBondContact OD2-NE2 2.84Å; D206-Y325 PolarHBondContact OD2-OH 2.95Å
207Y90.4Very high91Very high29 Ų2945 Ų4511%0.11423%0.231CC..Hα-helixtrans-73.8-47.7-176.6-168-84.4000111.4V203 F204 T205 L209 R210 H211 Q214 E315 E317 M318V203-Y207 WeakPolarHBondContact O-CB 3.39Å; V203-Y207 PolarHBondContact O-N 3.47Å; F204-Y207 PolarHBondContact O-N 3.43Å; T205-Y207 PolarHBondContact O-N 3Å; Y207-L209 PolarHBondContact O-N 3.39Å; Y207-R210 PolarHBondContact O-N 3.35Å; Y207-H211 HydrophobicContact CD1-CB 3.91Å; Y207-H211 AromaticContact CD1-CG 3.82Å; Y207-H211 AromaticContact CD1-ND1 3.57Å; Y207-H211 AromaticContact CD2-CE1 3.55Å; Y207-H211 AromaticContact CD2-ND1 3.56Å; Y207-H211 HydrophobicContact CE1-CB 3.53Å; Y207-H211 AromaticContact CE1-CD2 3.98Å; Y207-H211 AromaticContact CE1-CG 3.41Å; Y207-H211 VanDerWaalsContact CE1-CG 3.41Å; Y207-H211 AromaticContact CE1-ND1 3.57Å; Y207-H211 AromaticContact CE2-CE1 3.38Å; Y207-H211 WeakPolarHBondContact CE2-CE1 3.08Å; Y207-H211 AromaticContact CE2-CG 3.96Å; Y207-H211 AromaticContact CE2-ND1 3.57Å; Y207-H211 AromaticContact CE2-NE2 3.68Å; Y207-H211 AromaticContact CG-ND1 3.55Å; Y207-H211 AromaticContact CZ-CD2 3.58Å; Y207-H211 AromaticContact CZ-CE1 3.71Å; Y207-H211 AromaticContact CZ-CG 3.47Å; Y207-H211 VanDerWaalsContact CZ-CG 3.47Å; Y207-H211 AromaticContact CZ-ND1 3.56Å; Y207-H211 AromaticContact CZ-NE2 3.75Å; Y207-H211 PolarHBondContact O-N 3.16Å; Y207-H211 PolarHBondContact O-ND1 3.37Å; Y207-H211 PolarHBondContact OH-CD2 2.63Å; Y207-Q214 HydrophobicContact CD1-CB 3.94Å; Y207-Q214 HydrophobicContact CD1-CG 4.11Å; Y207-Q214 HydrophobicContact CE1-CB 3.92Å; Y207-Q214 HydrophobicContact CE1-CG 4.44Å; Y207-E315 HydrophobicContact CE1-CB 4Å; Y207-E315 WeakPolarHBondContact CE1-OE2 3.44Å; Y207-E315 PolarHBondContact OH-OE2 3.15Å; Y207-E317 HydrophobicContact CE2-CB 3.76Å; Y207-E317 WeakPolarHBondContact OH-CB 3.41Å; Y207-M318 HydrophobicContact CD1-CE 4.49Å; Y207-M318 HydrophobicContact CD1-CG 3.59Å; Y207-M318 HydrophobicContact CD1-SD 3.78Å; Y207-M318 HydrophobicContact CD2-CG 3.61Å; Y207-M318 HydrophobicContact CE1-CG 4.09Å; Y207-M318 HydrophobicContact CE2-CG 4.11Å; Y207-M318 HydrophobicContact CG-CG 3.33Å; Y207-M318 HydrophobicContact CG-SD 3.87Å
208A86.3Confident90.8Very high16 Ų1645.1 Ų45.113%0.13223%0.232CC..Hα-helixtrans-61.6-31.7-178.700000112.8F204 R210 Q214F204-A208 WeakPolarHBondContact O-CB 3.44Å; F204-A208 PolarHBondContact O-N 3.44Å; A208-R210 VanDerWaalsContact C-N 3.28Å; A208-R210 PolarHBondContact O-N 3.31Å; A208-Q214 HydrophobicContact CB-CG 4.34Å
209L83.7Confident90.6Very high141 Ų14146.5 Ų46.574%0.73824%0.241SC*.THydrogen-bonded Turntrans-70.7-21.9174.9-71.7173.6000113.6T205 Y207T205-L209 HydrophobicContact CG2-CD1 4.4Å; T205-L209 VanDerWaalsContact O-CG 3.27Å; T205-L209 WeakPolarHBondContact O-CG 3.47Å; T205-L209 PolarHBondContact O-N 2.98Å; Y207-L209 PolarHBondContact O-N 3.39Å
210R88Confident90.4Very high166 Ų16648.3 Ų48.363%0.62625%0.249SC*.THydrogen-bonded Turntrans-107.2-16.4-175.3-64.7178.5-178.291.6-6.5113.4D206 Y207 A208D206-R210 VanDerWaalsContact C-NH1 3.31Å; D206-R210 VanDerWaalsContact CA-NH1 3.3Å; D206-R210 WeakPolarHBondContact O-CG 3.39Å; D206-R210 PolarHBondContact O-NH1 3.04Å; D206-R210 IonicContact OD1-CZ 3.72Å; D206-R210 IonicContact OD1-NH1 3.79Å; D206-R210 PolarHBondContact OD1-NH1 3.16Å; D206-R210 IonicContact OD1-NH2 3.7Å; Y207-R210 PolarHBondContact O-N 3.35Å; A208-R210 VanDerWaalsContact C-N 3.28Å; A208-R210 PolarHBondContact O-N 3.31Å
211H91Very high90.3Very high65 Ų6549.5 Ų49.530%0.30126%0.255SS..  trans-122.6102-174.1-60.183.2000110.9Y207 S213 Q214 L215Y207-H211 HydrophobicContact CD1-CB 3.91Å; Y207-H211 AromaticContact CD1-CG 3.82Å; Y207-H211 AromaticContact CD1-ND1 3.57Å; Y207-H211 AromaticContact CD2-CE1 3.55Å; Y207-H211 AromaticContact CD2-ND1 3.56Å; Y207-H211 HydrophobicContact CE1-CB 3.53Å; Y207-H211 AromaticContact CE1-CD2 3.98Å; Y207-H211 AromaticContact CE1-CG 3.41Å; Y207-H211 VanDerWaalsContact CE1-CG 3.41Å; Y207-H211 AromaticContact CE1-ND1 3.57Å; Y207-H211 AromaticContact CE2-CE1 3.38Å; Y207-H211 WeakPolarHBondContact CE2-CE1 3.08Å; Y207-H211 AromaticContact CE2-CG 3.96Å; Y207-H211 AromaticContact CE2-ND1 3.57Å; Y207-H211 AromaticContact CE2-NE2 3.68Å; Y207-H211 AromaticContact CG-ND1 3.55Å; Y207-H211 AromaticContact CZ-CD2 3.58Å; Y207-H211 AromaticContact CZ-CE1 3.71Å; Y207-H211 AromaticContact CZ-CG 3.47Å; Y207-H211 VanDerWaalsContact CZ-CG 3.47Å; Y207-H211 AromaticContact CZ-ND1 3.56Å; Y207-H211 AromaticContact CZ-NE2 3.75Å; Y207-H211 PolarHBondContact O-N 3.16Å; Y207-H211 PolarHBondContact O-ND1 3.37Å; Y207-H211 PolarHBondContact OH-CD2 2.63Å; H211-S213 PolarHBondContact O-N 2.8Å; H211-Q214 HydrophobicContact CB-CB 4.35Å; H211-Q214 PolarHBondContact O-N 2.87Å; H211-L215 PolarHBondContact O-N 3.22Å
212P89.3Confident90.4Very high97 Ų9750 Ų5063%0.6326%0.256SS*.Hα-helixtrans-58.5-29.7178.6-25.834.8000113.8L215 L216P212-L215 PolarHBondContact O-N 3.43Å; P212-L216 WeakPolarHBondContact O-CG 3.32Å; P212-L216 PolarHBondContact O-N 3.12Å
213S91.9Very high90.6Very high54 Ų5451.2 Ų51.238%0.37826%0.261SS..Hα-helixtrans-61.1-46.8176.252.20000111.9H211 L216 K217 E315H211-S213 PolarHBondContact O-N 2.8Å; S213-L216 WeakPolarHBondContact O-CB 3.42Å; S213-L216 PolarHBondContact O-N 3.14Å; S213-K217 PolarHBondContact O-N 2.83Å; S213-E315 WeakPolarHBondContact CB-OE1 3.47Å; S213-E315 VanDerWaalsContact OG-CD 3.29Å; S213-E315 PolarHBondContact OG-OE1 3.38Å; S213-E315 PolarHBondContact OG-OE2 2.87Å
214Q93.1Very high90.7Very high0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-66.8-38174.4-176.757.361.400111.7Y207 A208 H211 L216 K217 S218 F313 E315 M318Y207-Q214 HydrophobicContact CD1-CB 3.94Å; Y207-Q214 HydrophobicContact CD1-CG 4.11Å; Y207-Q214 HydrophobicContact CE1-CB 3.92Å; Y207-Q214 HydrophobicContact CE1-CG 4.44Å; A208-Q214 HydrophobicContact CB-CG 4.34Å; H211-Q214 HydrophobicContact CB-CB 4.35Å; H211-Q214 PolarHBondContact O-N 2.87Å; Q214-L216 VanDerWaalsContact C-N 3.28Å; Q214-L216 PolarHBondContact O-N 3.41Å; Q214-K217 PolarHBondContact O-N 3.33Å; Q214-S218 PolarHBondContact NE2-OG 3.07Å; Q214-S218 VanDerWaalsContact NE2-OG 3.11Å; Q214-S218 WeakPolarHBondContact O-CB 3.27Å; Q214-S218 PolarHBondContact O-N 3.4Å; Q214-S218 PolarHBondContact O-OG 2.85Å; Q214-S218 VanDerWaalsContact O-OG 3.07Å; Q214-F313 PolarHBondContact NE2-O 3.2Å; Q214-E315 PolarHBondContact N-OE1 2.93Å; Q214-M318 HydrophobicContact CG-CE 4.15Å
215L87.4Confident90.9Very high67 Ų6751.7 Ų51.735%0.35126%0.263SS..Hα-helixtrans-59.9-40175.3-175.164.7000111.8H211 P212 S218 S219 F222H211-L215 PolarHBondContact O-N 3.22Å; P212-L215 PolarHBondContact O-N 3.43Å; L215-S218 CarbonylContact O-C 3.38Å; L215-S218 PolarHBondContact O-N 3.04Å; L215-S219 PolarHBondContact O-N 3.24Å; L215-F222 HydrophobicContact CD1-CE2 3.8Å; L215-F222 HydrophobicContact CD1-CZ 3.85Å
216L88.8Confident91.2Very high115 Ų11552.7 Ų52.760%0.60227%0.268SS*.Hα-helixtrans-66.6-42.2173.7-71.9167.5000112.3P212 S213 Q214 S218 S219P212-L216 WeakPolarHBondContact O-CG 3.32Å; P212-L216 PolarHBondContact O-N 3.12Å; S213-L216 WeakPolarHBondContact O-CB 3.42Å; S213-L216 PolarHBondContact O-N 3.14Å; Q214-L216 VanDerWaalsContact C-N 3.28Å; Q214-L216 PolarHBondContact O-N 3.41Å; L216-S218 PolarHBondContact O-N 3.11Å; L216-S219 WeakPolarHBondContact O-CB 3.49Å; L216-S219 PolarHBondContact O-N 2.92Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.24Å
217K92.1Very high91.4Very high71 Ų7155.7 Ų55.731%0.30929%0.289SS..Hα-helixtrans-61-33.4172.5-69.1-177.3-177.2-173.40111.6S213 Q214 S219 H220 F313 E315S213-K217 PolarHBondContact O-N 2.83Å; Q214-K217 PolarHBondContact O-N 3.33Å; K217-S219 VanDerWaalsContact C-N 3.31Å; K217-S219 PolarHBondContact O-N 3.26Å; K217-H220 PolarHBondContact O-CE1 3.46Å; K217-H220 PolarHBondContact O-ND1 3.41Å; K217-F313 WeakPolarHBondContact CB-O 3.46Å; K217-E315 HydrophobicContact CD-CG 4.05Å; K217-E315 WeakPolarHBondContact CE-OE1 3.43Å; K217-E315 IonicContact NZ-OE1 3.67Å
218S92.3Very high91.5Very high4 Ų464.3 Ų64.33%0.02832%0.322CS..THydrogen-bonded Turntrans-82.98.4177-61.80000114.4Q214 L215 L216 H220 F221 F222Q214-S218 PolarHBondContact NE2-OG 3.07Å; Q214-S218 VanDerWaalsContact NE2-OG 3.11Å; Q214-S218 WeakPolarHBondContact O-CB 3.27Å; Q214-S218 PolarHBondContact O-N 3.4Å; Q214-S218 PolarHBondContact O-OG 2.85Å; Q214-S218 VanDerWaalsContact O-OG 3.07Å; L215-S218 CarbonylContact O-C 3.38Å; L215-S218 PolarHBondContact O-N 3.04Å; L216-S218 PolarHBondContact O-N 3.11Å; S218-H220 PolarHBondContact O-N 3.34Å; S218-F221 WeakPolarHBondContact O-CB 3.29Å; S218-F221 PolarHBondContact O-N 2.71Å; S218-F222 WeakPolarHBondContact O-CD2 3.3Å
219S91.9Very high92Very high33 Ų3365.1 Ų65.123%0.23132%0.323CS..Hα-helixtrans-54.6-28.4177.2-640000113.4Y31 L215 L216 K217 F221 F222 F223Y31-S219 PolarHBondContact OH-OG 2.92Å; L215-S219 PolarHBondContact O-N 3.24Å; L216-S219 WeakPolarHBondContact O-CB 3.49Å; L216-S219 PolarHBondContact O-N 2.92Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.24Å; K217-S219 VanDerWaalsContact C-N 3.31Å; K217-S219 PolarHBondContact O-N 3.26Å; S219-F221 VanDerWaalsContact C-N 3.3Å; S219-F221 PolarHBondContact O-N 2.86Å; S219-F222 PolarHBondContact O-N 3.38Å; S219-F223 PolarHBondContact O-N 3.15Å
220H92.5Very high92.6Very high42 Ų4258.4 Ų58.419%0.19429%0.287CS..Hα-helixtrans-62.6-33.7176.565.9-84.8000112.8K217 S218 F222 F223 F224 Y285K217-H220 PolarHBondContact O-CE1 3.46Å; K217-H220 PolarHBondContact O-ND1 3.41Å; S218-H220 PolarHBondContact O-N 3.34Å; H220-F222 PolarHBondContact O-N 2.94Å; H220-F223 PolarHBondContact O-N 2.75Å; H220-F224 HydrophobicContact CB-CE2 4.14Å; H220-F224 HydrophobicContact CB-CZ 4.22Å; H220-F224 AromaticContact CD2-CE2 3.98Å; H220-F224 VanDerWaalsContact O-CB 3.29Å; H220-F224 WeakPolarHBondContact O-CB 3.29Å; H220-F224 WeakPolarHBondContact O-CD2 3.3Å; H220-F224 WeakPolarHBondContact O-CG 3.5Å; H220-F224 PolarHBondContact O-N 3.05Å; H220-Y285 AromaticContact CD2-CE1 3.59Å; H220-Y285 AromaticContact NE2-CE1 3.73Å
221F93.8Very high93.1Very high25 Ų2551.4 Ų51.411%0.1126%0.262CS..Hα-helixtrans-56.8-37.6174.3-7886.5000112W174 F204 S218 S219 Q225 Y285 V288 F289W174-F221 HydrophobicContact CH2-CE2 4.18Å; W174-F221 HydrophobicContact CZ2-CD2 4.49Å; W174-F221 AromaticContact CZ2-CE2 3.74Å; W174-F221 HydrophobicContact CZ2-CE2 3.74Å; F204-F221 AromaticContact CZ-CE1 3.98Å; F204-F221 HydrophobicContact CZ-CE1 3.98Å; F204-F221 HydrophobicContact CZ-CZ 4.07Å; S218-F221 WeakPolarHBondContact O-CB 3.29Å; S218-F221 PolarHBondContact O-N 2.71Å; S219-F221 VanDerWaalsContact C-N 3.3Å; S219-F221 PolarHBondContact O-N 2.86Å; F221-Q225 WeakPolarHBondContact O-CG 3.35Å; F221-Q225 PolarHBondContact O-NE2 3.28Å; F221-Y285 HydrophobicContact CB-CD1 4.5Å; F221-Y285 HydrophobicContact CD1-CE1 4.45Å; F221-Y285 AromaticContact CD2-CD1 3.43Å; F221-Y285 HydrophobicContact CD2-CD1 3.43Å; F221-Y285 VanDerWaalsContact CD2-CD1 3.43Å; F221-Y285 AromaticContact CD2-CE1 3.96Å; F221-Y285 HydrophobicContact CD2-CE1 3.96Å; F221-Y285 HydrophobicContact CE1-CE1 4.31Å; F221-Y285 AromaticContact CE2-CD1 3.64Å; F221-Y285 HydrophobicContact CE2-CD1 3.64Å; F221-Y285 AromaticContact CE2-CE1 3.81Å; F221-Y285 HydrophobicContact CE2-CE1 3.81Å; F221-Y285 AromaticContact CG-CD1 3.92Å; F221-Y285 HydrophobicContact CG-CD1 3.92Å; F221-Y285 HydrophobicContact CG-CE1 4.29Å; F221-Y285 HydrophobicContact CZ-CD1 4.28Å; F221-Y285 AromaticContact CZ-CE1 3.99Å; F221-Y285 HydrophobicContact CZ-CE1 3.99Å; F221-V288 HydrophobicContact CD2-CG1 3.98Å; F221-V288 HydrophobicContact CE2-CG2 4.39Å; F221-F289 HydrophobicContact CB-CZ 4.17Å
222F94.5Very high93.3Very high19 Ų1950.7 Ų50.78%0.08326%0.26CS..Hα-helixtrans-80.8-42.4-179.5-61.2-93.9000111.7I28 Y31 C32 L215 S218 S219 H220 F224 Q225 F289I28-F222 HydrophobicContact CG1-CE1 4.28Å; I28-F222 HydrophobicContact CG2-CD1 4.28Å; I28-F222 HydrophobicContact CG2-CE1 4.44Å; Y31-F222 HydrophobicContact CD1-CB 3.94Å; Y31-F222 AromaticContact CD1-CD1 3.63Å; Y31-F222 HydrophobicContact CD1-CD1 3.63Å; Y31-F222 AromaticContact CD1-CD2 3.29Å; Y31-F222 HydrophobicContact CD1-CD2 3.29Å; Y31-F222 AromaticContact CD1-CE1 3.83Å; Y31-F222 HydrophobicContact CD1-CE1 3.83Å; Y31-F222 AromaticContact CD1-CE2 3.51Å; Y31-F222 HydrophobicContact CD1-CE2 3.51Å; Y31-F222 AromaticContact CD1-CG 3.34Å; Y31-F222 HydrophobicContact CD1-CG 3.34Å; Y31-F222 AromaticContact CD1-CZ 3.76Å; Y31-F222 HydrophobicContact CD1-CZ 3.76Å; Y31-F222 AromaticContact CE1-CD2 3.5Å; Y31-F222 HydrophobicContact CE1-CD2 3.5Å; Y31-F222 VanDerWaalsContact CE1-CD2 3.5Å; Y31-F222 AromaticContact CE1-CE2 3.67Å; Y31-F222 HydrophobicContact CE1-CE2 3.67Å; Y31-F222 HydrophobicContact CE1-CG 4.01Å; Y31-F222 HydrophobicContact CE1-CZ 4.31Å; Y31-F222 HydrophobicContact CG-CD1 4.33Å; Y31-F222 HydrophobicContact CG-CG 4.33Å; C32-F222 PolarHBondContact SG-O 3.49Å; L215-F222 HydrophobicContact CD1-CE2 3.8Å; L215-F222 HydrophobicContact CD1-CZ 3.85Å; S218-F222 WeakPolarHBondContact O-CD2 3.3Å; S219-F222 PolarHBondContact O-N 3.38Å; H220-F222 PolarHBondContact O-N 2.94Å; F222-F224 PolarHBondContact O-N 3.27Å; F222-Q225 WeakPolarHBondContact O-CB 3.47Å; F222-Q225 WeakPolarHBondContact O-CG 3.45Å; F222-Q225 PolarHBondContact O-N 3.27Å; F222-F289 HydrophobicContact CD1-CE1 4.49Å; F222-F289 HydrophobicContact CD1-CE2 4.02Å; F222-F289 AromaticContact CD1-CZ 3.62Å; F222-F289 HydrophobicContact CD1-CZ 3.62Å; F222-F289 HydrophobicContact CD2-CZ 4.24Å; F222-F289 AromaticContact CE1-CE1 3.9Å; F222-F289 HydrophobicContact CE1-CE1 3.9Å; F222-F289 HydrophobicContact CE1-CE2 4.2Å; F222-F289 AromaticContact CE1-CZ 3.45Å; F222-F289 HydrophobicContact CE1-CZ 3.45Å; F222-F289 VanDerWaalsContact CE1-CZ 3.45Å; F222-F289 HydrophobicContact CE2-CZ 4.1Å; F222-F289 HydrophobicContact CG-CE2 4.48Å; F222-F289 HydrophobicContact CG-CZ 4.03Å; F222-F289 AromaticContact CZ-CE1 3.95Å; F222-F289 HydrophobicContact CZ-CE1 3.95Å; F222-F289 AromaticContact CZ-CZ 3.71Å; F222-F289 HydrophobicContact CZ-CZ 3.71Å
223F95.6Very high93.7Very high27 Ų2747.3 Ų47.312%0.11824%0.236CC..Hα-helixtrans-56.5-41.5173.8178.4-120.5000111.7C35 A39 S219 H220 Q225 L226 F229 P230 M233C35-F223 HydrophobicContact CB-CB 4.03Å; A39-F223 HydrophobicContact CB-CD2 4.12Å; A39-F223 HydrophobicContact CB-CE2 3.51Å; A39-F223 HydrophobicContact CB-CZ 4.07Å; S219-F223 PolarHBondContact O-N 3.15Å; H220-F223 PolarHBondContact O-N 2.75Å; F223-Q225 PolarHBondContact O-N 2.94Å; F223-L226 HydrophobicContact CD2-CD1 3.98Å; F223-L226 HydrophobicContact CE2-CD1 4.13Å; F223-L226 WeakPolarHBondContact O-CD1 3.4Å; F223-L226 PolarHBondContact O-N 2.99Å; F223-F229 AromaticContact CE2-CD1 3.68Å; F223-F229 HydrophobicContact CE2-CD1 3.68Å; F223-F229 AromaticContact CE2-CE1 3.74Å; F223-F229 HydrophobicContact CE2-CE1 3.74Å; F223-F229 HydrophobicContact CZ-CD1 4.24Å; F223-F229 HydrophobicContact CZ-CE1 4.36Å; F223-P230 HydrophobicContact CD1-CB 4.27Å; F223-P230 HydrophobicContact CD1-CG 4.46Å; F223-P230 HydrophobicContact CE1-CB 3.76Å; F223-P230 HydrophobicContact CE1-CG 4.17Å; F223-P230 HydrophobicContact CE2-CG 4.46Å; F223-P230 HydrophobicContact CZ-CB 4.06Å; F223-P230 HydrophobicContact CZ-CG 4.15Å; F223-P230 WeakPolarHBondContact O-CG 3.48Å; F223-M233 HydrophobicContact CE1-CB 4.25Å; F223-M233 HydrophobicContact CZ-CB 3.82Å; F223-M233 HydrophobicContact CZ-CG 3.8Å
224F96.3Very high94Very high13 Ų1345.6 Ų45.66%0.05722%0.222CC..THydrogen-bonded Turntrans-71-9.6-177.7-65.4-12.5000114.8F106 H220 F222 L226 P230 L234 L282 Y285 R286F106-F224 AromaticContact CE1-CE2 3.82Å; F106-F224 HydrophobicContact CE1-CE2 3.82Å; F106-F224 HydrophobicContact CE1-CZ 4.05Å; F106-F224 AromaticContact CZ-CE2 3.9Å; F106-F224 HydrophobicContact CZ-CE2 3.9Å; F106-F224 AromaticContact CZ-CZ 4Å; F106-F224 HydrophobicContact CZ-CZ 4Å; H220-F224 HydrophobicContact CB-CE2 4.14Å; H220-F224 HydrophobicContact CB-CZ 4.22Å; H220-F224 AromaticContact CD2-CE2 3.98Å; H220-F224 VanDerWaalsContact O-CB 3.29Å; H220-F224 WeakPolarHBondContact O-CB 3.29Å; H220-F224 WeakPolarHBondContact O-CD2 3.3Å; H220-F224 WeakPolarHBondContact O-CG 3.5Å; H220-F224 PolarHBondContact O-N 3.05Å; F222-F224 PolarHBondContact O-N 3.27Å; F224-L226 PolarHBondContact O-N 2.87Å; F224-P230 HydrophobicContact CD1-CB 3.76Å; F224-P230 HydrophobicContact CD1-CG 4.32Å; F224-P230 HydrophobicContact CE1-CB 4.29Å; F224-L234 HydrophobicContact CE1-CD1 4.31Å; F224-L234 HydrophobicContact CZ-CD1 4.44Å; F224-L282 HydrophobicContact CB-CD2 3.93Å; F224-L282 HydrophobicContact CD1-CD2 3.64Å; F224-L282 HydrophobicContact CD2-CD2 3.49Å; F224-L282 VanDerWaalsContact CD2-CD2 3.49Å; F224-L282 HydrophobicContact CE1-CD2 3.9Å; F224-L282 HydrophobicContact CE2-CD2 3.77Å; F224-L282 HydrophobicContact CG-CD2 3.41Å; F224-L282 VanDerWaalsContact CG-CD2 3.41Å; F224-L282 HydrophobicContact CZ-CD2 3.96Å; F224-Y285 HydrophobicContact CB-CG 4.2Å; F224-Y285 AromaticContact CD2-CD1 3.84Å; F224-Y285 HydrophobicContact CD2-CD1 3.84Å; F224-Y285 AromaticContact CD2-CD2 3.69Å; F224-Y285 HydrophobicContact CD2-CD2 3.69Å; F224-Y285 HydrophobicContact CD2-CE1 4.02Å; F224-Y285 AromaticContact CD2-CE2 3.83Å; F224-Y285 HydrophobicContact CD2-CE2 3.83Å; F224-Y285 AromaticContact CD2-CG 3.68Å; F224-Y285 HydrophobicContact CD2-CG 3.68Å; F224-Y285 AromaticContact CD2-CZ 3.99Å; F224-Y285 HydrophobicContact CE2-CD2 4.35Å; F224-Y285 HydrophobicContact CE2-CE1 4.33Å; F224-Y285 HydrophobicContact CE2-CE2 4.04Å; F224-Y285 HydrophobicContact CG-CG 4.45Å; F224-R286 WeakPolarHBondContact O-CG 3.47Å; F224-R286 PolarHBondContact O-NE 3.42Å
225Q95.1Very high94.1Very high43 Ų4346.2 Ų46.220%0.20123%0.227CC..THydrogen-bonded Turntrans-67-22.8173.8-58.3-54.2-5800112.9F221 F222 F223 Y285 R286 F289F221-Q225 WeakPolarHBondContact O-CG 3.35Å; F221-Q225 PolarHBondContact O-NE2 3.28Å; F222-Q225 WeakPolarHBondContact O-CB 3.47Å; F222-Q225 WeakPolarHBondContact O-CG 3.45Å; F222-Q225 PolarHBondContact O-N 3.27Å; F223-Q225 PolarHBondContact O-N 2.94Å; Q225-Y285 PolarHBondContact NE2-O 3.32Å; Q225-R286 PolarHBondContact OE1-O 2.8Å; Q225-F289 HydrophobicContact CG-CD2 4.11Å; Q225-F289 HydrophobicContact CG-CE2 3.75Å
226L93.4Very high94.5Very high38 Ų3843.3 Ų43.320%0.19921%0.211CC..SBendtrans-72.1136.8-175.4-62.2161.8000110.7T36 F223 F224 F229 P230 R286T36-L226 HydrophobicContact CG2-CD1 3.97Å; T36-L226 WeakPolarHBondContact OG1-CD1 3.43Å; F223-L226 HydrophobicContact CD2-CD1 3.98Å; F223-L226 HydrophobicContact CE2-CD1 4.13Å; F223-L226 WeakPolarHBondContact O-CD1 3.4Å; F223-L226 PolarHBondContact O-N 2.99Å; F224-L226 PolarHBondContact O-N 2.87Å; L226-F229 HydrophobicContact CB-CB 4.26Å; L226-F229 HydrophobicContact CD1-CD1 3.77Å; L226-P230 HydrophobicContact CB-CG 4.03Å; L226-P230 WeakPolarHBondContact O-CD 3.44Å; L226-P230 WeakPolarHBondContact O-CG 3.43Å; L226-R286 PolarHBondContact O-NH2 3.47Å
227P91.5Very high94.8Very high104 Ų10439.2 Ų39.268%0.67519%0.19SC*.SBendtrans-73.3130.2175.529.2-33000110.2F229P227-F229 PolarHBondContact O-N 2.8Å
228R93.6Very high95Very high210 Ų21037.9 Ų37.979%0.79219%0.187SC*.SBendtrans64.5-27.2173.6-55.9-179.1177.2165.1-1.1116.9E231 L232R228-E231 WeakPolarHBondContact CA-OE2 3.28Å; R228-E231 PolarHBondContact N-OE2 2.68Å; R228-E231 VanDerWaalsContact N-OE2 3.14Å; R228-E231 PolarHBondContact O-N 3.19Å; R228-L232 PolarHBondContact O-N 2.95Å
229F96.3Very high95.2Very high34 Ų3437.9 Ų37.915%0.14919%0.186CC..Hα-helixtrans-67.5-42.5-176.7-174.2-128.3000113.3T36 A39 L40 L43 F223 L226 P227 L232 M233T36-F229 HydrophobicContact CG2-CD1 4.28Å; T36-F229 HydrophobicContact CG2-CE1 4.03Å; A39-F229 HydrophobicContact CB-CE1 3.82Å; A39-F229 HydrophobicContact CB-CZ 4.15Å; L40-F229 HydrophobicContact CD2-CE1 4.36Å; L40-F229 HydrophobicContact CD2-CE2 4.03Å; L40-F229 HydrophobicContact CD2-CZ 3.61Å; L40-F229 HydrophobicContact CG-CE1 4.25Å; L40-F229 HydrophobicContact CG-CZ 3.87Å; L43-F229 HydrophobicContact CD2-CE2 4.09Å; F223-F229 AromaticContact CE2-CD1 3.68Å; F223-F229 HydrophobicContact CE2-CD1 3.68Å; F223-F229 AromaticContact CE2-CE1 3.74Å; F223-F229 HydrophobicContact CE2-CE1 3.74Å; F223-F229 HydrophobicContact CZ-CD1 4.24Å; F223-F229 HydrophobicContact CZ-CE1 4.36Å; L226-F229 HydrophobicContact CB-CB 4.26Å; L226-F229 HydrophobicContact CD1-CD1 3.77Å; P227-F229 PolarHBondContact O-N 2.8Å; F229-L232 HydrophobicContact CD2-CD2 4.46Å; F229-L232 WeakPolarHBondContact O-CB 3.16Å; F229-L232 PolarHBondContact O-N 2.93Å; F229-M233 HydrophobicContact CD2-CG 4.24Å; F229-M233 HydrophobicContact CE1-CG 4.37Å; F229-M233 HydrophobicContact CE2-CG 3.87Å; F229-M233 HydrophobicContact CE2-SD 4.1Å; F229-M233 HydrophobicContact CZ-CG 3.94Å; F229-M233 HydrophobicContact CZ-SD 4.17Å; F229-M233 WeakPolarHBondContact O-CG 3.45Å; F229-M233 PolarHBondContact O-N 3.33Å
230P97.3Very high95.4Very high0 Ų041.6 Ų41.60%020%0.198CC..Hα-helixtrans-65.4-39173.7-22.236.7000112.4F223 F224 L226 L232 M233 L234 L282F223-P230 HydrophobicContact CD1-CB 4.27Å; F223-P230 HydrophobicContact CD1-CG 4.46Å; F223-P230 HydrophobicContact CE1-CB 3.76Å; F223-P230 HydrophobicContact CE1-CG 4.17Å; F223-P230 HydrophobicContact CE2-CG 4.46Å; F223-P230 HydrophobicContact CZ-CB 4.06Å; F223-P230 HydrophobicContact CZ-CG 4.15Å; F223-P230 WeakPolarHBondContact O-CG 3.48Å; F224-P230 HydrophobicContact CD1-CB 3.76Å; F224-P230 HydrophobicContact CD1-CG 4.32Å; F224-P230 HydrophobicContact CE1-CB 4.29Å; L226-P230 HydrophobicContact CB-CG 4.03Å; L226-P230 WeakPolarHBondContact O-CD 3.44Å; L226-P230 WeakPolarHBondContact O-CG 3.43Å; P230-L232 VanDerWaalsContact C-N 3.31Å; P230-L232 PolarHBondContact O-N 2.95Å; P230-M233 PolarHBondContact O-N 3.03Å; P230-L234 WeakPolarHBondContact O-CB 3.5Å; P230-L234 VanDerWaalsContact O-CG 3.25Å; P230-L234 WeakPolarHBondContact O-CG 3.33Å; P230-L234 PolarHBondContact O-N 3.42Å; P230-L282 HydrophobicContact CB-CD1 3.89Å
231E97.4Very high95.5Very high18 Ų1841.9 Ų41.98%0.08421%0.207CC..Hα-helixtrans-55.5-47.8172.9-68.488.3153.100111.1R228 L234 S235 L278 T279 L282 R286R228-E231 WeakPolarHBondContact CA-OE2 3.28Å; R228-E231 PolarHBondContact N-OE2 2.68Å; R228-E231 VanDerWaalsContact N-OE2 3.14Å; R228-E231 PolarHBondContact O-N 3.19Å; E231-L234 PolarHBondContact O-N 3.45Å; E231-S235 WeakPolarHBondContact O-CB 3.32Å; E231-S235 PolarHBondContact O-N 3.31Å; E231-S235 PolarHBondContact O-OG 2.79Å; E231-L278 HydrophobicContact CB-CB 4.38Å; E231-L278 HydrophobicContact CG-CB 3.91Å; E231-T279 WeakPolarHBondContact CG-OG1 3.42Å; E231-T279 WeakPolarHBondContact OE1-CA 3.45Å; E231-T279 PolarHBondContact OE1-OG1 3.48Å; E231-L282 HydrophobicContact CG-CD1 3.74Å; E231-R286 IonicContact OE1-CZ 2.86Å; E231-R286 IonicContact OE1-NH1 3.74Å; E231-R286 PolarHBondContact OE1-NH1 3.28Å; E231-R286 IonicContact OE1-NH2 2.92Å; E231-R286 PolarHBondContact OE1-NH2 2.88Å; E231-R286 IonicContact OE2-NH2 3.18Å; E231-R286 PolarHBondContact OE2-NH2 3.13Å
232L96.2Very high95.7Very high50 Ų5040.7 Ų40.726%0.26220%0.202SC..Hα-helixtrans-59.4-51.6175.3177.265.6000111F55 W57 R228 F229 P230 L234 S235 I236F55-L232 HydrophobicContact CD1-CD1 4.4Å; W57-L232 HydrophobicContact CH2-CD1 3.93Å; W57-L232 HydrophobicContact CZ3-CD1 4.12Å; R228-L232 PolarHBondContact O-N 2.95Å; F229-L232 HydrophobicContact CD2-CD2 4.46Å; F229-L232 WeakPolarHBondContact O-CB 3.16Å; F229-L232 PolarHBondContact O-N 2.93Å; P230-L232 VanDerWaalsContact C-N 3.31Å; P230-L232 PolarHBondContact O-N 2.95Å; L232-L234 PolarHBondContact O-N 3.22Å; L232-S235 PolarHBondContact O-N 3.03Å; L232-I236 HydrophobicContact CD1-CG2 3.76Å; L232-I236 HydrophobicContact CG-CG2 4.12Å; L232-I236 WeakPolarHBondContact O-CG2 3.4Å; L232-I236 PolarHBondContact O-N 3.14Å
233M96.8Very high95.8Very high26 Ų2642.3 Ų42.313%0.12821%0.209CC..Hα-helixtrans-63.8-28.7-176.9-73-60-60.600113.5L43 F223 F229 P230 I236L43-M233 HydrophobicContact CB-CE 4.41Å; L43-M233 HydrophobicContact CB-SD 3.99Å; L43-M233 HydrophobicContact CD1-SD 4.22Å; L43-M233 HydrophobicContact CD2-SD 4.22Å; L43-M233 HydrophobicContact CG-SD 4.37Å; F223-M233 HydrophobicContact CE1-CB 4.25Å; F223-M233 HydrophobicContact CZ-CB 3.82Å; F223-M233 HydrophobicContact CZ-CG 3.8Å; F229-M233 HydrophobicContact CD2-CG 4.24Å; F229-M233 HydrophobicContact CE1-CG 4.37Å; F229-M233 HydrophobicContact CE2-CG 3.87Å; F229-M233 HydrophobicContact CE2-SD 4.1Å; F229-M233 HydrophobicContact CZ-CG 3.94Å; F229-M233 HydrophobicContact CZ-SD 4.17Å; F229-M233 WeakPolarHBondContact O-CG 3.45Å; F229-M233 PolarHBondContact O-N 3.33Å; P230-M233 PolarHBondContact O-N 3.03Å; M233-I236 HydrophobicContact CE-CD1 3.99Å; M233-I236 WeakPolarHBondContact O-CG1 3.41Å; M233-I236 HydrophobicContact SD-CD1 3.79Å
234L97.2Very high95.8Very high18 Ų1843 Ų439%0.09422%0.22CC..Hα-helixtrans-79-25.3173.5-69.3173.1000112.5F106 F224 P230 E231 L232 F239 A241 L242 L278 L282F106-L234 HydrophobicContact CZ-CD1 4.14Å; F224-L234 HydrophobicContact CE1-CD1 4.31Å; F224-L234 HydrophobicContact CZ-CD1 4.44Å; P230-L234 WeakPolarHBondContact O-CB 3.5Å; P230-L234 VanDerWaalsContact O-CG 3.25Å; P230-L234 WeakPolarHBondContact O-CG 3.33Å; P230-L234 PolarHBondContact O-N 3.42Å; E231-L234 PolarHBondContact O-N 3.45Å; L232-L234 PolarHBondContact O-N 3.22Å; L234-F239 WeakPolarHBondContact O-CA 3.45Å; L234-A241 HydrophobicContact CD2-CB 4.29Å; L234-L242 HydrophobicContact CB-CG 4.45Å; L234-L242 HydrophobicContact CD2-CD2 3.97Å; L234-L242 HydrophobicContact CD2-CG 4.34Å; L234-L278 HydrophobicContact CB-CD1 4.08Å; L234-L278 HydrophobicContact CB-CD2 4.47Å; L234-L278 HydrophobicContact CD1-CD2 4.28Å; L234-L282 HydrophobicContact CD1-CD1 4.3Å; L234-L282 HydrophobicContact CD1-CD2 4.15Å
235S97.2Very high95.8Very high13 Ų1343.7 Ų43.79%0.09122%0.224CC..Hα-helixtrans-87.8-39.6-177.6-55.50000113.7W57 E231 L232 D238 F239 L278W57-S235 VanDerWaalsContact CB-O 3.23Å; W57-S235 WeakPolarHBondContact CB-O 3.44Å; E231-S235 WeakPolarHBondContact O-CB 3.32Å; E231-S235 PolarHBondContact O-N 3.31Å; E231-S235 PolarHBondContact O-OG 2.79Å; L232-S235 PolarHBondContact O-N 3.03Å; S235-D238 PolarHBondContact O-N 2.87Å; S235-F239 PolarHBondContact O-N 3.49Å; S235-L278 VanDerWaalsContact OG-CD1 3.26Å; S235-L278 WeakPolarHBondContact OG-CD1 3.48Å
236I95.4Very high95.8Very high6 Ų641.7 Ų41.73%0.03122%0.215CC..Hα-helixtrans-53.1151.7-175.856.3169.2000113.6L43 T54 F55 W57 L232 M233 D238L43-I236 HydrophobicContact CD1-CD1 3.9Å; T54-I236 WeakPolarHBondContact O-CB 3.41Å; T54-I236 WeakPolarHBondContact O-CG2 3.45Å; F55-I236 HydrophobicContact CD1-CG2 4.07Å; F55-I236 HydrophobicContact CE1-CG2 4.46Å; W57-I236 HydrophobicContact CE3-CG2 4.41Å; W57-I236 HydrophobicContact CZ3-CG2 4.19Å; L232-I236 HydrophobicContact CD1-CG2 3.76Å; L232-I236 HydrophobicContact CG-CG2 4.12Å; L232-I236 WeakPolarHBondContact O-CG2 3.4Å; L232-I236 PolarHBondContact O-N 3.14Å; M233-I236 HydrophobicContact CE-CD1 3.99Å; M233-I236 WeakPolarHBondContact O-CG1 3.41Å; M233-I236 HydrophobicContact SD-CD1 3.79Å; I236-D238 VanDerWaalsContact C-N 3.32Å
237N94.7Very high95.8Very high29 Ų2942.9 Ų42.916%0.15522%0.223CC..Hα-helixtrans55.943.2-174.5-53.4-83.7000112.9T54 Q56 F239 K240T54-N237 WeakPolarHBondContact CA-OD1 3.23Å; T54-N237 PolarHBondContact O-N 2.85Å; Q56-N237 CarbonylContact O-C 3.56Å; Q56-N237 PolarHBondContact O-N 3.13Å; N237-F239 PolarHBondContact O-N 3.35Å; N237-K240 HydrophobicContact CB-CB 3.85Å; N237-K240 HydrophobicContact CB-CD 4.23Å; N237-K240 WeakPolarHBondContact O-CB 3.42Å; N237-K240 PolarHBondContact O-N 2.93Å
238D95.7Very high95.9Very high44 Ų4439.4 Ų39.424%0.23520%0.202CC..Hα-helixtrans48.259.8-177.7-170.951.1000112.3Q56 G58 R60 S235 I236 K240 K243Q56-D238 PolarHBondContact O-N 3.37Å; G58-D238 PolarHBondContact N-OD1 3.49Å; R60-D238 IonicContact CZ-OD1 2.76Å; R60-D238 IonicContact CZ-OD2 3.75Å; R60-D238 IonicContact NH1-OD1 2.81Å; R60-D238 PolarHBondContact NH1-OD1 3.4Å; R60-D238 IonicContact NH1-OD2 2.93Å; R60-D238 IonicContact NH2-OD1 3.83Å; R60-D238 PolarHBondContact NH2-OD1 3.25Å; R60-D238 IonicContact NH2-OD2 3.07Å; R60-D238 PolarHBondContact NH2-OD2 2.94Å; S235-D238 PolarHBondContact O-N 2.87Å; I236-D238 VanDerWaalsContact C-N 3.32Å; D238-K240 PolarHBondContact O-N 3.32Å; D238-K240 VanDerWaalsContact O-N 3.14Å; D238-K243 WeakPolarHBondContact O-CE 3.39Å; D238-K243 PolarHBondContact O-NZ 3.19Å; D238-K243 IonicContact OD2-NZ 3.7Å; D238-K243 PolarHBondContact OD2-NZ 3.18Å
239F97.1Very high95.6Very high4 Ų440.3 Ų40.32%0.01821%0.205CC..Hα-helixtrans57.229.7176.7-56.2-83.2000114.2W57 G58 L234 S235 N237 A241 L242 K243 L269 L278W57-F239 HydrophobicContact CB-CD2 4.44Å; W57-F239 HydrophobicContact CB-CE2 4.07Å; W57-F239 HydrophobicContact CB-CZ 4.49Å; G58-F239 WeakPolarHBondContact O-CE2 3.38Å; L234-F239 WeakPolarHBondContact O-CA 3.45Å; S235-F239 PolarHBondContact O-N 3.49Å; N237-F239 PolarHBondContact O-N 3.35Å; F239-A241 PolarHBondContact O-N 3.19Å; F239-A241 VanDerWaalsContact O-N 3.12Å; F239-L242 HydrophobicContact CB-CB 4.39Å; F239-L242 HydrophobicContact CB-CD1 4.2Å; F239-L242 HydrophobicContact CD1-CD1 3.66Å; F239-L242 HydrophobicContact CG-CD1 4.34Å; F239-L242 PolarHBondContact O-N 3.18Å; F239-K243 PolarHBondContact O-N 2.85Å; F239-L269 HydrophobicContact CB-CD2 3.57Å; F239-L269 HydrophobicContact CG-CD2 4.13Å; F239-L278 HydrophobicContact CE1-CD1 4.16Å
240K95.8Very high95.3Very high111 Ų11142.3 Ų42.348%0.48322%0.223SC..Hα-helixtrans-52.5-38.1-177.7-177.8179179.9-174.70113.1N237 D238 K243 A244N237-K240 HydrophobicContact CB-CB 3.85Å; N237-K240 HydrophobicContact CB-CD 4.23Å; N237-K240 WeakPolarHBondContact O-CB 3.42Å; N237-K240 PolarHBondContact O-N 2.93Å; D238-K240 PolarHBondContact O-N 3.32Å; D238-K240 VanDerWaalsContact O-N 3.14Å; K240-K243 PolarHBondContact O-N 3.1Å; K240-A244 VanDerWaalsContact O-CB 3.32Å; K240-A244 WeakPolarHBondContact O-CB 3.43Å; K240-A244 PolarHBondContact O-N 3.15Å
241A95.6Very high95Very high47 Ų4743.3 Ų43.339%0.38823%0.23SC..Hα-helixtrans-63.9-44.6178.400000111.8L234 F239 A244 L245L234-A241 HydrophobicContact CD2-CB 4.29Å; F239-A241 PolarHBondContact O-N 3.19Å; F239-A241 VanDerWaalsContact O-N 3.12Å; A241-A244 PolarHBondContact O-N 3.13Å; A241-L245 WeakPolarHBondContact O-CB 3.38Å; A241-L245 PolarHBondContact O-N 3.28Å
242L96.9Very high94.7Very high1 Ų142.5 Ų42.51%0.00523%0.226CC..Hα-helixtrans-68.2-40.9176.5-63.5171.1000111.5P107 L234 F239 A244 L245 F246 L269 L272 L278P107-L242 HydrophobicContact CB-CD2 4.22Å; P107-L242 HydrophobicContact CG-CD2 3.85Å; L234-L242 HydrophobicContact CB-CG 4.45Å; L234-L242 HydrophobicContact CD2-CD2 3.97Å; L234-L242 HydrophobicContact CD2-CG 4.34Å; F239-L242 HydrophobicContact CB-CB 4.39Å; F239-L242 HydrophobicContact CB-CD1 4.2Å; F239-L242 HydrophobicContact CD1-CD1 3.66Å; F239-L242 HydrophobicContact CG-CD1 4.34Å; F239-L242 PolarHBondContact O-N 3.18Å; L242-A244 VanDerWaalsContact C-N 3.33Å; L242-A244 PolarHBondContact O-N 3.05Å; L242-L245 VanDerWaalsContact O-CB 3.27Å; L242-L245 WeakPolarHBondContact O-CB 3.31Å; L242-L245 PolarHBondContact O-N 3.25Å; L242-L245 VanDerWaalsContact O-N 3.16Å; L242-F246 VanDerWaalsContact O-CD2 3.27Å; L242-F246 WeakPolarHBondContact O-CD2 3.48Å; L242-F246 PolarHBondContact O-N 3Å; L242-L269 HydrophobicContact CB-CD2 4.41Å; L242-L272 HydrophobicContact CD1-CB 4.26Å; L242-L272 HydrophobicContact CD1-CD1 3.89Å; L242-L272 HydrophobicContact CD2-CD1 4.33Å; L242-L278 HydrophobicContact CD1-CD2 4.06Å
243K96.5Very high94.5Very high52 Ų5240.3 Ų40.323%0.22622%0.215CC..Hα-helixtrans-57.4-47.6173.1-67.8175.4179.81630111.1D238 F239 K240 L245 F246 T247 L265 L269D238-K243 WeakPolarHBondContact O-CE 3.39Å; D238-K243 PolarHBondContact O-NZ 3.19Å; D238-K243 IonicContact OD2-NZ 3.7Å; D238-K243 PolarHBondContact OD2-NZ 3.18Å; F239-K243 PolarHBondContact O-N 2.85Å; K240-K243 PolarHBondContact O-N 3.1Å; K243-L245 VanDerWaalsContact C-N 3.3Å; K243-L245 PolarHBondContact O-N 3.07Å; K243-F246 PolarHBondContact O-N 3.06Å; K243-T247 WeakPolarHBondContact O-CB 3.37Å; K243-T247 WeakPolarHBondContact O-CG2 3.5Å; K243-T247 PolarHBondContact O-N 3.17Å; K243-T247 PolarHBondContact O-OG1 3.5Å; K243-L265 HydrophobicContact CB-CD2 4.45Å; K243-L265 HydrophobicContact CG-CD1 4.49Å; K243-L265 HydrophobicContact CG-CD2 4.17Å; K243-L269 HydrophobicContact CD-CD1 4.21Å; K243-L269 HydrophobicContact CG-CD1 3.94Å; K243-L269 HydrophobicContact CG-CD2 4.19Å
244A95.4Very high93.4Very high41 Ų4139.1 Ų39.134%0.33921%0.208SC..Hα-helixtrans-65.2-34177.700000112.4K240 A241 L242 F246 T247 S248 T251K240-A244 VanDerWaalsContact O-CB 3.32Å; K240-A244 WeakPolarHBondContact O-CB 3.43Å; K240-A244 PolarHBondContact O-N 3.15Å; A241-A244 PolarHBondContact O-N 3.13Å; L242-A244 VanDerWaalsContact C-N 3.33Å; L242-A244 PolarHBondContact O-N 3.05Å; A244-F246 VanDerWaalsContact C-N 3.25Å; A244-F246 PolarHBondContact O-N 2.8Å; A244-T247 PolarHBondContact O-N 3.42Å; A244-S248 WeakPolarHBondContact O-CA 3.38Å; A244-S248 WeakPolarHBondContact O-CB 3.25Å; A244-S248 PolarHBondContact O-N 3.08Å; A244-S248 PolarHBondContact O-OG 3.25Å; A244-T251 PolarHBondContact O-OG1 3.14Å
245L95.8Very high92Very high28 Ų2842.5 Ų42.515%0.14722%0.22CC..Hα-helixtrans-56.2-43.5176.2-176.763.5000111.3P107 A241 L242 K243 T251 G252 F313 W341P107-L245 VanDerWaalsContact CD-CD2 3.47Å; P107-L245 HydrophobicContact CG-CD2 3.47Å; P107-L245 VanDerWaalsContact CG-CD2 3.47Å; A241-L245 WeakPolarHBondContact O-CB 3.38Å; A241-L245 PolarHBondContact O-N 3.28Å; L242-L245 VanDerWaalsContact O-CB 3.27Å; L242-L245 WeakPolarHBondContact O-CB 3.31Å; L242-L245 PolarHBondContact O-N 3.25Å; L242-L245 VanDerWaalsContact O-N 3.16Å; K243-L245 VanDerWaalsContact C-N 3.3Å; K243-L245 PolarHBondContact O-N 3.07Å; L245-T251 WeakPolarHBondContact CA-OG1 3.43Å; L245-T251 CarbonylContact O-C 3.49Å; L245-T251 WeakPolarHBondContact O-CB 3.41Å; L245-T251 PolarHBondContact O-OG1 2.86Å; L245-G252 WeakPolarHBondContact O-CA 3.39Å; L245-G252 PolarHBondContact O-N 3.39Å; L245-F313 HydrophobicContact CD1-CE1 4.11Å; L245-F313 HydrophobicContact CD1-CE2 4.24Å; L245-F313 HydrophobicContact CD1-CZ 3.39Å; L245-W341 HydrophobicContact CD1-CZ2 4.14Å; L245-W341 HydrophobicContact CD2-CH2 4.41Å; L245-W341 HydrophobicContact CD2-CZ2 4.16Å; L245-W341 HydrophobicContact CG-CZ2 3.84Å
246F95.4Very high90.7Very high1 Ų147.7 Ų47.70%0.00424%0.241CC..Hα-helixtrans-87.9-23.2-178.9-70.1-61.5000115.2P107 E108 L242 K243 A244 G252 I253 L260 L265 Y268 W341P107-F246 HydrophobicContact CG-CE2 4.06Å; P107-F246 HydrophobicContact CG-CZ 3.85Å; E108-F246 HydrophobicContact CG-CE1 4.4Å; L242-F246 VanDerWaalsContact O-CD2 3.27Å; L242-F246 WeakPolarHBondContact O-CD2 3.48Å; L242-F246 PolarHBondContact O-N 3Å; K243-F246 PolarHBondContact O-N 3.06Å; A244-F246 VanDerWaalsContact C-N 3.25Å; A244-F246 PolarHBondContact O-N 2.8Å; F246-G252 CarbonylContact O-C 3.57Å; F246-G252 WeakPolarHBondContact O-CA 3.41Å; F246-I253 HydrophobicContact CD1-CD1 4.26Å; F246-I253 PolarHBondContact O-N 3.37Å; F246-L260 HydrophobicContact CB-CD1 3.62Å; F246-L260 HydrophobicContact CD1-CD1 4.39Å; F246-L260 HydrophobicContact CG-CD1 4.23Å; F246-L265 HydrophobicContact CB-CD1 4.23Å; F246-L265 HydrophobicContact CD2-CD1 4.27Å; F246-Y268 HydrophobicContact CE2-CD1 4.35Å; F246-Y268 HydrophobicContact CE2-CG 4.08Å; F246-Y268 HydrophobicContact CZ-CD1 4.01Å; F246-Y268 HydrophobicContact CZ-CE1 4.45Å; F246-Y268 HydrophobicContact CZ-CG 4.15Å; F246-W341 HydrophobicContact CD1-CD2 4.39Å; F246-W341 HydrophobicContact CD1-CZ2 4.37Å; F246-W341 HydrophobicContact CE1-CD2 4.26Å; F246-W341 HydrophobicContact CE1-CE3 4.22Å; F246-W341 HydrophobicContact CE1-CH2 4.09Å; F246-W341 HydrophobicContact CE1-CZ2 4.11Å; F246-W341 HydrophobicContact CE1-CZ3 4.13Å
247T94.3Very high89.4Confident63 Ų6350 Ų5039%0.38727%0.266SS..Hα-helixtrans-118-14.5-170.362.30000114.8K243 A244 L265K243-T247 WeakPolarHBondContact O-CB 3.37Å; K243-T247 WeakPolarHBondContact O-CG2 3.5Å; K243-T247 PolarHBondContact O-N 3.17Å; K243-T247 PolarHBondContact O-OG1 3.5Å; A244-T247 PolarHBondContact O-N 3.42Å; T247-L265 HydrophobicContact CG2-CD2 4.02Å
248S92.9Very high88.6Confident31 Ų3153.1 Ų53.122%0.21728%0.276CS..SBendtrans-69.7153.3-177.276.30000111.9A244 S250 T251 G252A244-S248 WeakPolarHBondContact O-CA 3.38Å; A244-S248 WeakPolarHBondContact O-CB 3.25Å; A244-S248 PolarHBondContact O-N 3.08Å; A244-S248 PolarHBondContact O-OG 3.25Å; S248-S250 PolarHBondContact O-N 3.42Å; S248-S250 VanDerWaalsContact O-N 3.16Å; S248-S250 PolarHBondContact OG-N 3.48Å; S248-S250 PolarHBondContact OG-OG 3.3Å; S248-T251 PolarHBondContact O-N 3.44Å; S248-T251 PolarHBondContact OG-N 3.44Å; S248-T251 PolarHBondContact OG-OG1 3.4Å; S248-G252 VanDerWaalsContact O-CA 3.28Å; S248-G252 WeakPolarHBondContact O-CA 3.24Å; S248-G252 PolarHBondContact O-N 3.38Å
249R88.6Confident88Confident230 Ų23058.8 Ų58.887%0.86829%0.294SS*.THydrogen-bonded Turntrans-59-28.9174.5-174174.6178.5158.20.4113R255R249-R255 PolarHBondContact O-NE 3.07Å; R249-R255 VanDerWaalsContact O-NE 3.14Å; R249-R255 PolarHBondContact O-NH2 3.28Å
250S88.8Confident87.6Confident76 Ų7659.7 Ų59.753%0.53130%0.299SS..THydrogen-bonded Turntrans-82.5-33.8-175.845.80000114S248 R255S248-S250 PolarHBondContact O-N 3.42Å; S248-S250 VanDerWaalsContact O-N 3.16Å; S248-S250 PolarHBondContact OG-N 3.48Å; S248-S250 PolarHBondContact OG-OG 3.3Å; S250-R255 PolarHBondContact O-NH2 3.49Å
251T92.4Very high87.5Confident21 Ų2157.8 Ų57.813%0.12930%0.297CS..THydrogen-bonded Turntrans-127.1-20.5-172.460.10000113.6A244 L245 S248 A312 F313 W341A244-T251 PolarHBondContact O-OG1 3.14Å; L245-T251 WeakPolarHBondContact CA-OG1 3.43Å; L245-T251 CarbonylContact O-C 3.49Å; L245-T251 WeakPolarHBondContact O-CB 3.41Å; L245-T251 PolarHBondContact O-OG1 2.86Å; S248-T251 PolarHBondContact O-N 3.44Å; S248-T251 PolarHBondContact OG-N 3.44Å; S248-T251 PolarHBondContact OG-OG1 3.4Å; T251-A312 HydrophobicContact CG2-CB 3.84Å; T251-F313 HydrophobicContact CG2-CE1 4.5Å; T251-F313 HydrophobicContact CG2-CE2 4.42Å; T251-F313 HydrophobicContact CG2-CZ 3.79Å; T251-W341 PolarHBondContact O-NE1 3.29Å
252G90.3Very high87.4Confident1 Ų159.5 Ų59.51%0.0131%0.311CS..  trans-83.8175-16600000116L245 F246 S248 S339L245-G252 WeakPolarHBondContact O-CA 3.39Å; L245-G252 PolarHBondContact O-N 3.39Å; F246-G252 CarbonylContact O-C 3.57Å; F246-G252 WeakPolarHBondContact O-CA 3.41Å; S248-G252 VanDerWaalsContact O-CA 3.28Å; S248-G252 WeakPolarHBondContact O-CA 3.24Å; S248-G252 PolarHBondContact O-N 3.38Å; G252-S339 WeakPolarHBondContact O-CB 3.07Å
253I90.9Very high87.4Confident4 Ų463.5 Ų63.52%0.02133%0.33CS..SBendtrans-83.2145.6177.9-68.2156.2000110F246 R258 L260 W341 Q344 D345F246-I253 HydrophobicContact CD1-CD1 4.26Å; F246-I253 PolarHBondContact O-N 3.37Å; I253-R258 WeakPolarHBondContact CG2-O 3.06Å; I253-L260 HydrophobicContact CB-CD1 4.2Å; I253-L260 HydrophobicContact CB-CG 4.14Å; I253-L260 HydrophobicContact CD1-CD1 3.49Å; I253-L260 VanDerWaalsContact CD1-CD1 3.49Å; I253-L260 HydrophobicContact CD1-CD2 4.19Å; I253-L260 HydrophobicContact CD1-CG 3.77Å; I253-L260 HydrophobicContact CG1-CD1 4.38Å; I253-L260 HydrophobicContact CG2-CG 4.15Å; I253-W341 HydrophobicContact CD1-CB 3.82Å; I253-W341 HydrophobicContact CD1-CG 4Å; I253-W341 HydrophobicContact CG1-CB 3.51Å; I253-W341 HydrophobicContact CG1-CG 3.78Å; I253-Q344 HydrophobicContact CD1-CB 3.69Å; I253-Q344 HydrophobicContact CD1-CG 4.19Å; I253-Q344 HydrophobicContact CG1-CB 4.13Å; I253-Q344 HydrophobicContact CG2-CB 4.44Å; I253-D345 HydrophobicContact CG2-CB 4.4Å
254G74.8Confident87.4Confident0 Ų061.7 Ų61.70%032%0.323CS..  trans112.416.6168.400000115.7K256 G257 R258 W259 D345G254-K256 PolarHBondContact O-N 2.86Å; G254-K256 VanDerWaalsContact O-N 3.16Å; G254-G257 PolarHBondContact O-N 3.19Å; G254-R258 WeakPolarHBondContact CA-O 3.07Å; G254-W259 WeakPolarHBondContact O-CZ2 3.48Å; G254-D345 PolarHBondContact N-OD1 3.37Å
255R67.6Low87.4Confident90 Ų9061 Ų6134%0.3431%0.313SS..THydrogen-bonded Turntrans-66.1-20.2-177.4-66.8-169.1-175.9-169.314.1114.2R249 S250 R310 D345R249-R255 PolarHBondContact O-NE 3.07Å; R249-R255 VanDerWaalsContact O-NE 3.14Å; R249-R255 PolarHBondContact O-NH2 3.28Å; S250-R255 PolarHBondContact O-NH2 3.49Å; R255-R310 VanDerWaalsContact NH1-CB 3.3Å; R255-D345 PolarHBondContact N-OD1 3.25Å
256K70.4Confident87.5Confident121 Ų12162.7 Ų62.753%0.52632%0.32SS..THydrogen-bonded Turntrans-113.629.2172.8-66.9-166.7-174.5164.70113.3G254 S336G254-K256 PolarHBondContact O-N 2.86Å; G254-K256 VanDerWaalsContact O-N 3.16Å; K256-S336 VanDerWaalsContact CE-O 3.3Å; K256-S336 WeakPolarHBondContact CE-O 3.49Å; K256-S336 PolarHBondContact NZ-O 3.29Å
257G66.9Low87.7Confident55 Ų5562.7 Ų62.757%0.56732%0.32SS*.SBendtrans94.3-6169.500000116.1G254 W259G254-G257 PolarHBondContact O-N 3.19Å; G257-W259 PolarHBondContact O-N 2.86Å
258R79.6Confident87.9Confident94 Ų9459.7 Ų59.736%0.35530%0.302SS..  trans-96.179.4173.5-169.7-178.6-73-95.79.9111I253 G254 D348I253-R258 WeakPolarHBondContact CG2-O 3.06Å; G254-R258 WeakPolarHBondContact CA-O 3.07Å; R258-D348 IonicContact CZ-OD2 3.64Å; R258-D348 IonicContact NE-OD2 2.73Å; R258-D348 IonicContact NH2-OD1 2.71Å; R258-D348 IonicContact NH2-OD2 3.67Å; R258-D348 PolarHBondContact NH2-OD2 3.04Å
259W82.1Confident88.1Confident164 Ų16458.2 Ų58.262%0.62129%0.292SS*.PPolyproline II helixtrans-73.2149.2177.9-5691.8000111.3G254 G257 T261G254-W259 WeakPolarHBondContact O-CZ2 3.48Å; G257-W259 PolarHBondContact O-N 2.86Å; W259-T261 PolarHBondContact O-N 2.94Å
260L89.6Confident88.6Confident22 Ų2249.4 Ų49.412%0.11526%0.259CS..PPolyproline II helixtrans-57.2132.8161.7-83165.6000109.1R114 F246 I253 D264 Y268R114-L260 VanDerWaalsContact NH2-CD2 3.34Å; F246-L260 HydrophobicContact CB-CD1 3.62Å; F246-L260 HydrophobicContact CD1-CD1 4.39Å; F246-L260 HydrophobicContact CG-CD1 4.23Å; I253-L260 HydrophobicContact CB-CD1 4.2Å; I253-L260 HydrophobicContact CB-CG 4.14Å; I253-L260 HydrophobicContact CD1-CD1 3.49Å; I253-L260 VanDerWaalsContact CD1-CD1 3.49Å; I253-L260 HydrophobicContact CD1-CD2 4.19Å; I253-L260 HydrophobicContact CD1-CG 3.77Å; I253-L260 HydrophobicContact CG1-CD1 4.38Å; I253-L260 HydrophobicContact CG2-CG 4.15Å; L260-D264 HydrophobicContact CB-CB 4.47Å; L260-D264 HydrophobicContact CD2-CB 3.45Å; L260-D264 VanDerWaalsContact CD2-CB 3.45Å; L260-Y268 HydrophobicContact CD2-CE2 4.09Å
261T93.2Very high89Confident71 Ų7146.2 Ų46.244%0.43624%0.237SC..PPolyproline II helixtrans-69.7161.6169.568.30000109.5W259 E263 D264 L265W259-T261 PolarHBondContact O-N 2.94Å; T261-E263 PolarHBondContact O-N 3.14Å; T261-D264 PolarHBondContact O-N 3.47Å; T261-D264 WeakPolarHBondContact OG1-CB 3.18Å; T261-D264 VanDerWaalsContact OG1-CG 3.23Å; T261-D264 PolarHBondContact OG1-N 2.88Å; T261-D264 PolarHBondContact OG1-OD1 2.75Å; T261-L265 PolarHBondContact O-N 3.1Å; T261-L265 VanDerWaalsContact O-N 3.07Å
262A94.3Very high89.3Confident84 Ų8445.6 Ų45.669%0.69423%0.233SC*.Hα-helixtrans-58.9-36.6172.800000111.4L265 E266A262-L265 PolarHBondContact O-N 3.5Å; A262-E266 WeakPolarHBondContact O-CG 3.4Å; A262-E266 PolarHBondContact O-N 2.74Å
263E96.1Very high89.6Confident85 Ų8546 Ų4640%0.39724%0.235SC..Hα-helixtrans-67.7-43.4177.3-167.8-178.7-16700112.4P64 A65 C66 T261 L265 E266 A267P64-E263 HydrophobicContact CB-CG 4Å; A65-E263 WeakPolarHBondContact CA-OE1 3.37Å; A65-E263 WeakPolarHBondContact CB-OE1 3.06Å; A65-E263 PolarHBondContact N-OE1 2.71Å; A65-E263 VanDerWaalsContact N-OE1 3.16Å; C66-E263 HydrophobicContact CB-CG 4.08Å; C66-E263 PolarHBondContact N-OE1 3.14Å; T261-E263 PolarHBondContact O-N 3.14Å; E263-L265 VanDerWaalsContact C-N 3.27Å; E263-L265 PolarHBondContact O-N 2.84Å; E263-E266 PolarHBondContact O-N 3.44Å; E263-A267 PolarHBondContact O-N 3.06Å
264D96Very high90Very high14 Ų1448.4 Ų48.48%0.07525%0.247CC..Hα-helixtrans-59.6-41.7175.2-74.7-5.4000110.7F111 R114 L260 T261 A267 Y268F111-D264 HydrophobicContact CE1-CB 4.16Å; F111-D264 WeakPolarHBondContact CZ-OD1 3.3Å; R114-D264 IonicContact CZ-OD2 3Å; R114-D264 IonicContact NE-OD1 3.15Å; R114-D264 IonicContact NE-OD2 3.98Å; R114-D264 PolarHBondContact NE-OD2 3.5Å; R114-D264 IonicContact NH2-OD2 3.34Å; R114-D264 PolarHBondContact NH2-OD2 3.33Å; L260-D264 HydrophobicContact CB-CB 4.47Å; L260-D264 HydrophobicContact CD2-CB 3.45Å; L260-D264 VanDerWaalsContact CD2-CB 3.45Å; T261-D264 PolarHBondContact O-N 3.47Å; T261-D264 WeakPolarHBondContact OG1-CB 3.18Å; T261-D264 VanDerWaalsContact OG1-CG 3.23Å; T261-D264 PolarHBondContact OG1-N 2.88Å; T261-D264 PolarHBondContact OG1-OD1 2.75Å; D264-A267 WeakPolarHBondContact O-CB 3.29Å; D264-A267 PolarHBondContact O-N 3.29Å; D264-Y268 WeakPolarHBondContact O-CD2 3.43Å; D264-Y268 PolarHBondContact O-N 3.19Å
265L96.6Very high90.9Very high25 Ų2553.4 Ų53.413%0.13128%0.279CS..Hα-helixtrans-65.3-43.8177.6-178.660.7000111.6K243 F246 T247 T261 A262 E263 A267 Y268 L269K243-L265 HydrophobicContact CB-CD2 4.45Å; K243-L265 HydrophobicContact CG-CD1 4.49Å; K243-L265 HydrophobicContact CG-CD2 4.17Å; F246-L265 HydrophobicContact CB-CD1 4.23Å; F246-L265 HydrophobicContact CD2-CD1 4.27Å; T247-L265 HydrophobicContact CG2-CD2 4.02Å; T261-L265 PolarHBondContact O-N 3.1Å; T261-L265 VanDerWaalsContact O-N 3.07Å; A262-L265 PolarHBondContact O-N 3.5Å; E263-L265 VanDerWaalsContact C-N 3.27Å; E263-L265 PolarHBondContact O-N 2.84Å; L265-A267 PolarHBondContact O-N 2.93Å; L265-Y268 PolarHBondContact O-N 2.88Å; L265-L269 HydrophobicContact CG-CD1 4.34Å; L265-L269 WeakPolarHBondContact O-CG 3.47Å; L265-L269 PolarHBondContact O-N 3.48Å
266E97.4Very high92.3Very high65 Ų6550.8 Ų50.830%0.30428%0.28SS..Hα-helixtrans-63.9-26.9175.6-74-58.9136.100112.2R60 P64 A262 E263 L269 Y270R60-E266 IonicContact CZ-OE2 3.88Å; R60-E266 IonicContact NE-OE2 2.65Å; R60-E266 PolarHBondContact NE-OE2 3.41Å; R60-E266 IonicContact NH2-OE1 3.16Å; R60-E266 IonicContact NH2-OE2 3.38Å; P64-E266 HydrophobicContact CG-CB 4.05Å; A262-E266 WeakPolarHBondContact O-CG 3.4Å; A262-E266 PolarHBondContact O-N 2.74Å; E263-E266 PolarHBondContact O-N 3.44Å; E266-L269 PolarHBondContact O-N 3.11Å; E266-L269 WeakPolarHBondContact OE1-CD1 3.34Å; E266-Y270 VanDerWaalsContact O-CB 3.24Å; E266-Y270 WeakPolarHBondContact O-CB 3.15Å; E266-Y270 PolarHBondContact O-N 3.03Å
267A98.3Very high93.5Very high0 Ų045.5 Ų45.50%026%0.259CS..Hα-helixtrans-63.5-43.6172.300000112.2P64 L67 F109 F111 E263 D264 L265 Y270 A271P64-A267 HydrophobicContact CG-CB 4.35Å; L67-A267 HydrophobicContact CD1-CB 4.37Å; L67-A267 HydrophobicContact CD2-CB 3.68Å; L67-A267 HydrophobicContact CG-CB 4.09Å; F109-A267 HydrophobicContact CZ-CB 4.4Å; F111-A267 HydrophobicContact CD1-CB 4.15Å; F111-A267 HydrophobicContact CE1-CB 4.04Å; E263-A267 PolarHBondContact O-N 3.06Å; D264-A267 WeakPolarHBondContact O-CB 3.29Å; D264-A267 PolarHBondContact O-N 3.29Å; L265-A267 PolarHBondContact O-N 2.93Å; A267-Y270 PolarHBondContact O-N 3.42Å; A267-A271 PolarHBondContact O-N 2.84Å; A267-A271 VanDerWaalsContact O-N 3.15Å
268Y98.3Very high95Very high0 Ų043.4 Ų43.40%024%0.235CC..Hα-helixtrans-66-43.1174.1-69.8-72.4000112E108 F109 F111 S112 R114 F246 L260 D264 L265 Y270 A271 L272 Q344E108-Y268 HydrophobicContact CB-CE1 4.23Å; E108-Y268 HydrophobicContact CG-CE1 4.37Å; F109-Y268 AromaticContact CD1-CD1 3.83Å; F109-Y268 HydrophobicContact CD1-CD1 3.83Å; F109-Y268 AromaticContact CD1-CE1 3.93Å; F109-Y268 HydrophobicContact CD1-CE1 3.93Å; F109-Y268 AromaticContact CE1-CD1 3.72Å; F109-Y268 HydrophobicContact CE1-CD1 3.72Å; F109-Y268 AromaticContact CE1-CE1 3.9Å; F109-Y268 HydrophobicContact CE1-CE1 3.9Å; F109-Y268 HydrophobicContact CE1-CG 4.34Å; F111-Y268 HydrophobicContact CD1-CE2 4.19Å; S112-Y268 VanDerWaalsContact CA-OH 3.23Å; S112-Y268 WeakPolarHBondContact CA-OH 3.47Å; S112-Y268 PolarHBondContact N-OH 3.38Å; R114-Y268 PolarHBondContact NH1-OH 3.15Å; F246-Y268 HydrophobicContact CE2-CD1 4.35Å; F246-Y268 HydrophobicContact CE2-CG 4.08Å; F246-Y268 HydrophobicContact CZ-CD1 4.01Å; F246-Y268 HydrophobicContact CZ-CE1 4.45Å; F246-Y268 HydrophobicContact CZ-CG 4.15Å; L260-Y268 HydrophobicContact CD2-CE2 4.09Å; D264-Y268 WeakPolarHBondContact O-CD2 3.43Å; D264-Y268 PolarHBondContact O-N 3.19Å; L265-Y268 PolarHBondContact O-N 2.88Å; Y268-Y270 VanDerWaalsContact C-N 3.28Å; Y268-Y270 PolarHBondContact O-N 3.19Å; Y268-A271 PolarHBondContact O-N 3.05Å; Y268-L272 WeakPolarHBondContact O-CB 3.27Å; Y268-L272 WeakPolarHBondContact O-CD1 3.49Å; Y268-L272 VanDerWaalsContact O-CG 3.25Å; Y268-L272 WeakPolarHBondContact O-CG 3.48Å; Y268-L272 PolarHBondContact O-N 3.28Å; Y268-Q344 VanDerWaalsContact OH-CD 3.23Å; Y268-Q344 PolarHBondContact OH-NE2 3.19Å; Y268-Q344 PolarHBondContact OH-OE1 3.24Å
269L98.2Very high95.9Very high1 Ų141 Ų411%0.00523%0.231CC..Hα-helixtrans-65.2-35.5177.1-63.3178.4000111.6R60 F239 L242 K243 L265 E266 L272 S273R60-L269 HydrophobicContact CG-CB 4.48Å; F239-L269 HydrophobicContact CB-CD2 3.57Å; F239-L269 HydrophobicContact CG-CD2 4.13Å; L242-L269 HydrophobicContact CB-CD2 4.41Å; K243-L269 HydrophobicContact CD-CD1 4.21Å; K243-L269 HydrophobicContact CG-CD1 3.94Å; K243-L269 HydrophobicContact CG-CD2 4.19Å; L265-L269 HydrophobicContact CG-CD1 4.34Å; L265-L269 WeakPolarHBondContact O-CG 3.47Å; L265-L269 PolarHBondContact O-N 3.48Å; E266-L269 PolarHBondContact O-N 3.11Å; E266-L269 WeakPolarHBondContact OE1-CD1 3.34Å; L269-L272 PolarHBondContact O-N 3.35Å; L269-S273 WeakPolarHBondContact O-CB 3.28Å; L269-S273 PolarHBondContact O-N 3.34Å; L269-S273 PolarHBondContact O-OG 3.22Å
270Y98.5Very high96.5Very high44 Ų4433.2 Ų33.217%0.17320%0.201CC..Hα-helixtrans-58.2-55.1173.5170.5-94.6000111.2R60 T62 P63 L67 E266 A267 Y268 L272 S273 Q274R60-Y270 HydrophobicContact CB-CD2 3.81Å; R60-Y270 HydrophobicContact CB-CG 4.4Å; R60-Y270 VanDerWaalsContact O-CD2 3.23Å; R60-Y270 WeakPolarHBondContact O-CD2 3.45Å; R60-Y270 WeakPolarHBondContact O-CE2 3.43Å; T62-Y270 WeakPolarHBondContact O-CD2 3.31Å; P63-Y270 HydrophobicContact CB-CD1 4.33Å; P63-Y270 HydrophobicContact CB-CD2 4.46Å; P63-Y270 HydrophobicContact CB-CE1 3.86Å; P63-Y270 HydrophobicContact CB-CE2 4.01Å; L67-Y270 HydrophobicContact CD1-CD1 3.76Å; L67-Y270 HydrophobicContact CD1-CE1 4.17Å; E266-Y270 VanDerWaalsContact O-CB 3.24Å; E266-Y270 WeakPolarHBondContact O-CB 3.15Å; E266-Y270 PolarHBondContact O-N 3.03Å; A267-Y270 PolarHBondContact O-N 3.42Å; Y268-Y270 VanDerWaalsContact C-N 3.28Å; Y268-Y270 PolarHBondContact O-N 3.19Å; Y270-L272 PolarHBondContact O-N 3.32Å; Y270-S273 PolarHBondContact O-N 2.91Å; Y270-S273 PolarHBondContact O-OG 3.31Å; Y270-S273 VanDerWaalsContact O-OG 3.14Å; Y270-Q274 WeakPolarHBondContact O-CG 3.29Å; Y270-Q274 PolarHBondContact O-NE2 3.25Å
271A98.2Very high96.9Very high10 Ų1032.2 Ų32.28%0.08320%0.196CC..Hα-helixtrans-60.5-44.8179.400000112.5F109 A267 Y268 A277F109-A271 HydrophobicContact CD1-CB 3.88Å; F109-A271 HydrophobicContact CE1-CB 3.95Å; F109-A271 HydrophobicContact CG-CB 4.18Å; F109-A271 HydrophobicContact CZ-CB 4.27Å; A267-A271 PolarHBondContact O-N 2.84Å; A267-A271 VanDerWaalsContact O-N 3.15Å; Y268-A271 PolarHBondContact O-N 3.05Å; A271-A277 VanDerWaalsContact O-CB 3.26Å; A271-A277 WeakPolarHBondContact O-CB 3.32Å
272L97.8Very high97.1Very high7 Ų728.8 Ų28.84%0.03718%0.175CC..Hα-helixtrans-78.1-21.3-174.6-65.6166.5000113.8P107 L242 Y268 L269 Y270 Q274 L278P107-L272 HydrophobicContact CB-CD1 3.86Å; P107-L272 HydrophobicContact CB-CD2 3.86Å; P107-L272 HydrophobicContact CG-CD1 4.31Å; P107-L272 WeakPolarHBondContact O-CD1 3.02Å; L242-L272 HydrophobicContact CD1-CB 4.26Å; L242-L272 HydrophobicContact CD1-CD1 3.89Å; L242-L272 HydrophobicContact CD2-CD1 4.33Å; Y268-L272 WeakPolarHBondContact O-CB 3.27Å; Y268-L272 WeakPolarHBondContact O-CD1 3.49Å; Y268-L272 VanDerWaalsContact O-CG 3.25Å; Y268-L272 WeakPolarHBondContact O-CG 3.48Å; Y268-L272 PolarHBondContact O-N 3.28Å; L269-L272 PolarHBondContact O-N 3.35Å; Y270-L272 PolarHBondContact O-N 3.32Å; L272-Q274 VanDerWaalsContact C-N 3.33Å; L272-L278 HydrophobicContact CB-CD2 4.25Å; L272-L278 HydrophobicContact CD2-CD2 4.17Å
273S97.6Very high97.2Very high9 Ų924.9 Ų24.96%0.06314%0.143CC..Hα-helixtrans-82.6-11178.570.80000113.6R60 L269 Y270R60-S273 PolarHBondContact N-OG 3.48Å; L269-S273 WeakPolarHBondContact O-CB 3.28Å; L269-S273 PolarHBondContact O-N 3.34Å; L269-S273 PolarHBondContact O-OG 3.22Å; Y270-S273 PolarHBondContact O-N 2.91Å; Y270-S273 PolarHBondContact O-OG 3.31Å; Y270-S273 VanDerWaalsContact O-OG 3.14Å
274Q97.6Very high97.2Very high55 Ų5521 Ų2126%0.25712%0.124SC..SBendtrans-62.8147.8179-60.6-47.8-53.100111.5R60 Y270 L272 G276 A277R60-Q274 PolarHBondContact O-NE2 3.29Å; Y270-Q274 WeakPolarHBondContact O-CG 3.29Å; Y270-Q274 PolarHBondContact O-NE2 3.25Å; L272-Q274 VanDerWaalsContact C-N 3.33Å; Q274-G276 PolarHBondContact O-N 2.83Å; Q274-G276 VanDerWaalsContact O-N 3.12Å; Q274-A277 HydrophobicContact CB-CB 4.2Å; Q274-A277 VanDerWaalsContact O-CB 3.3Å; Q274-A277 WeakPolarHBondContact O-CB 3.47Å; Q274-A277 PolarHBondContact O-N 3.41Å
275P95.6Very high97.2Very high105 Ų10520.6 Ų20.668%0.68212%0.122SC*.THydrogen-bonded Turntrans-51.8120.6179.9-28.335.6000112.7I59 A277I59-P275 HydrophobicContact CD1-CG 4.44Å; P275-A277 VanDerWaalsContact C-N 3.28Å; P275-A277 PolarHBondContact O-N 3.19Å
276G95.6Very high97.2Very high35 Ų3521 Ų2136%0.36112%0.121SC..THydrogen-bonded Turntrans81.9-11.9178.600000115.7L139 Q274 L278 T279 G280L139-G276 VanDerWaalsContact CD1-C 3.44Å; L139-G276 VanDerWaalsContact CD1-O 3.24Å; L139-G276 WeakPolarHBondContact CD1-O 3.38Å; Q274-G276 PolarHBondContact O-N 2.83Å; Q274-G276 VanDerWaalsContact O-N 3.12Å; G276-L278 PolarHBondContact O-N 3.27Å; G276-T279 WeakPolarHBondContact O-CA 3.31Å; G276-T279 VanDerWaalsContact O-CB 3.32Å; G276-T279 WeakPolarHBondContact O-CB 3.26Å; G276-T279 PolarHBondContact O-N 2.95Å; G276-G280 PolarHBondContact O-N 3.37Å
277A97Very high96.7Very high10 Ų1018.4 Ų18.48%0.08311%0.11CC..Hα-helixtrans-55.9-45.7-174.300000113.1A271 Q274 P275 T279 G280 A281A271-A277 VanDerWaalsContact O-CB 3.26Å; A271-A277 WeakPolarHBondContact O-CB 3.32Å; Q274-A277 HydrophobicContact CB-CB 4.2Å; Q274-A277 VanDerWaalsContact O-CB 3.3Å; Q274-A277 WeakPolarHBondContact O-CB 3.47Å; Q274-A277 PolarHBondContact O-N 3.41Å; P275-A277 VanDerWaalsContact C-N 3.28Å; P275-A277 PolarHBondContact O-N 3.19Å; A277-T279 VanDerWaalsContact C-N 3.33Å; A277-T279 PolarHBondContact O-N 3.43Å; A277-G280 PolarHBondContact O-N 3.27Å; A277-A281 WeakPolarHBondContact O-CB 3.31Å; A277-A281 PolarHBondContact O-N 3.32Å
278L97.6Very high96.2Very high11 Ų1119.1 Ų19.16%0.05811%0.114CC..Hα-helixtrans-61.2-40.5174-69.7177.9000112.3E231 L234 S235 F239 L242 L272 G276 A281 L282E231-L278 HydrophobicContact CB-CB 4.38Å; E231-L278 HydrophobicContact CG-CB 3.91Å; L234-L278 HydrophobicContact CB-CD1 4.08Å; L234-L278 HydrophobicContact CB-CD2 4.47Å; L234-L278 HydrophobicContact CD1-CD2 4.28Å; S235-L278 VanDerWaalsContact OG-CD1 3.26Å; S235-L278 WeakPolarHBondContact OG-CD1 3.48Å; F239-L278 HydrophobicContact CE1-CD1 4.16Å; L242-L278 HydrophobicContact CD1-CD2 4.06Å; L272-L278 HydrophobicContact CB-CD2 4.25Å; L272-L278 HydrophobicContact CD2-CD2 4.17Å; G276-L278 PolarHBondContact O-N 3.27Å; L278-A281 PolarHBondContact O-N 3.33Å; L278-L282 VanDerWaalsContact O-CB 3.27Å; L278-L282 WeakPolarHBondContact O-CB 3.48Å; L278-L282 WeakPolarHBondContact O-CD1 3.33Å; L278-L282 WeakPolarHBondContact O-CG 3.28Å; L278-L282 PolarHBondContact O-N 3.08Å
279T97.3Very high95.5Very high45 Ų4520 Ų2028%0.27612%0.118SC..Hα-helixtrans-62.8-45.8176.9-65.50000111.2E231 G276 A277 L282 N283E231-T279 WeakPolarHBondContact CG-OG1 3.42Å; E231-T279 WeakPolarHBondContact OE1-CA 3.45Å; E231-T279 PolarHBondContact OE1-OG1 3.48Å; G276-T279 WeakPolarHBondContact O-CA 3.31Å; G276-T279 VanDerWaalsContact O-CB 3.32Å; G276-T279 WeakPolarHBondContact O-CB 3.26Å; G276-T279 PolarHBondContact O-N 2.95Å; A277-T279 VanDerWaalsContact C-N 3.33Å; A277-T279 PolarHBondContact O-N 3.43Å; T279-L282 PolarHBondContact O-N 3.4Å; T279-N283 PolarHBondContact O-N 2.87Å; T279-N283 PolarHBondContact O-ND2 3.4Å; T279-N283 PolarHBondContact O-OD1 3.1Å
280G96.6Very high94.8Very high0 Ų023.6 Ų23.60%014%0.143CC..Hα-helixtrans-57.8-49.7176.100000111.8Y146 G276 A277 L282 N283Y146-G280 WeakPolarHBondContact CE1-O 3.17Å; G276-G280 PolarHBondContact O-N 3.37Å; A277-G280 PolarHBondContact O-N 3.27Å; G280-L282 PolarHBondContact O-N 3.48Å; G280-N283 PolarHBondContact O-N 2.81Å
281A96.9Very high93.8Very high0 Ų023.1 Ų23.10%015%0.146CC..Hα-helixtrans-59.9-41.817800000113F106 Y134 A277 L278F106-A281 HydrophobicContact CD2-CB 3.84Å; F106-A281 HydrophobicContact CE2-CB 3.96Å; Y134-A281 HydrophobicContact CD1-CB 4.22Å; Y134-A281 HydrophobicContact CE1-CB 3.46Å; Y134-A281 VanDerWaalsContact CE1-CB 3.46Å; Y134-A281 HydrophobicContact CE2-CB 4.22Å; Y134-A281 VanDerWaalsContact CZ-CA 3.49Å; Y134-A281 VanDerWaalsContact CZ-CB 3.46Å; Y134-A281 WeakPolarHBondContact OH-CA 3.4Å; Y134-A281 WeakPolarHBondContact OH-CB 3.13Å; Y134-A281 PolarHBondContact OH-O 2.58Å; A277-A281 WeakPolarHBondContact O-CB 3.31Å; A277-A281 PolarHBondContact O-N 3.32Å; L278-A281 PolarHBondContact O-N 3.33Å
282L97.5Very high93Very high0 Ų024.7 Ų24.70%015%0.153CC..Hα-helixtrans-74.8-22.7179.8-68.2170000113.5F106 F224 P230 E231 L234 L278 T279 G280 Y284 Y285 R286F106-L282 HydrophobicContact CE2-CD2 3.91Å; F106-L282 HydrophobicContact CE2-CG 4.39Å; F106-L282 HydrophobicContact CZ-CD2 4.07Å; F224-L282 HydrophobicContact CB-CD2 3.93Å; F224-L282 HydrophobicContact CD1-CD2 3.64Å; F224-L282 HydrophobicContact CD2-CD2 3.49Å; F224-L282 VanDerWaalsContact CD2-CD2 3.49Å; F224-L282 HydrophobicContact CE1-CD2 3.9Å; F224-L282 HydrophobicContact CE2-CD2 3.77Å; F224-L282 HydrophobicContact CG-CD2 3.41Å; F224-L282 VanDerWaalsContact CG-CD2 3.41Å; F224-L282 HydrophobicContact CZ-CD2 3.96Å; P230-L282 HydrophobicContact CB-CD1 3.89Å; E231-L282 HydrophobicContact CG-CD1 3.74Å; L234-L282 HydrophobicContact CD1-CD1 4.3Å; L234-L282 HydrophobicContact CD1-CD2 4.15Å; L278-L282 VanDerWaalsContact O-CB 3.27Å; L278-L282 WeakPolarHBondContact O-CB 3.48Å; L278-L282 WeakPolarHBondContact O-CD1 3.33Å; L278-L282 WeakPolarHBondContact O-CG 3.28Å; L278-L282 PolarHBondContact O-N 3.08Å; T279-L282 PolarHBondContact O-N 3.4Å; G280-L282 PolarHBondContact O-N 3.48Å; L282-Y284 PolarHBondContact O-N 3.44Å; L282-Y285 WeakPolarHBondContact O-CB 3.45Å; L282-Y285 PolarHBondContact O-N 3.38Å; L282-R286 PolarHBondContact O-N 2.98Å
283N97.1Very high91.8Very high2 Ų229.5 Ų29.51%0.01119%0.185CC..Hα-helixtrans-65.1-20.8179.7-74.6-13000113.2T143 Y146 T279 G280 Y285 R286 N287T143-N283 WeakPolarHBondContact CG2-OD1 3.47Å; Y146-N283 HydrophobicContact CD1-CB 3.95Å; Y146-N283 HydrophobicContact CD2-CB 3.36Å; Y146-N283 HydrophobicContact CE1-CB 4.3Å; Y146-N283 HydrophobicContact CE2-CB 3.78Å; Y146-N283 WeakPolarHBondContact CE2-ND2 3.29Å; Y146-N283 HydrophobicContact CG-CB 3.45Å; Y146-N283 VanDerWaalsContact CG-CB 3.45Å; T279-N283 PolarHBondContact O-N 2.87Å; T279-N283 PolarHBondContact O-ND2 3.4Å; T279-N283 PolarHBondContact O-OD1 3.1Å; G280-N283 PolarHBondContact O-N 2.81Å; N283-Y285 VanDerWaalsContact C-N 3.31Å; N283-Y285 PolarHBondContact O-N 2.99Å; N283-R286 PolarHBondContact O-N 2.99Å; N283-R286 VanDerWaalsContact OD1-CD 3.29Å; N283-R286 WeakPolarHBondContact OD1-CD 3.03Å; N283-R286 PolarHBondContact OD1-NH1 2.9Å; N283-N287 PolarHBondContact O-N 3.1Å; N283-N287 PolarHBondContact O-ND2 3.46Å
284Y96.3Very high90.7Very high4 Ų430.6 Ų30.62%0.01619%0.19CC..Hα-helixtrans-59.7-44.2169.7-76.9-121.6000110.9M131 R132 Y134 Y146 L151 W174 I178 L282M131-Y284 VanDerWaalsContact CB-OH 3.3Å; M131-Y284 WeakPolarHBondContact CB-OH 3.39Å; M131-Y284 HydrophobicContact CE-CE1 3.78Å; M131-Y284 HydrophobicContact SD-CE1 4.49Å; R132-Y284 PolarHBondContact N-OH 2.93Å; R132-Y284 WeakPolarHBondContact O-CE2 3.42Å; R132-Y284 PolarHBondContact O-OH 2.79Å; Y134-Y284 HydrophobicContact CD2-CE2 4.16Å; Y134-Y284 HydrophobicContact CE2-CD2 4.03Å; Y134-Y284 HydrophobicContact CE2-CE1 4.42Å; Y134-Y284 AromaticContact CE2-CE2 3.59Å; Y134-Y284 HydrophobicContact CE2-CE2 3.59Å; Y134-Y284 AromaticContact CE2-CZ 3.84Å; Y146-Y284 AromaticContact CD1-CD2 3.66Å; Y146-Y284 HydrophobicContact CD1-CD2 3.66Å; Y146-Y284 AromaticContact CD1-CE2 3.43Å; Y146-Y284 HydrophobicContact CD1-CE2 3.43Å; Y146-Y284 VanDerWaalsContact CD1-CE2 3.43Å; Y146-Y284 HydrophobicContact CE1-CD2 4.31Å; Y146-Y284 AromaticContact CE1-CE2 3.87Å; Y146-Y284 HydrophobicContact CE1-CE2 3.87Å; L151-Y284 HydrophobicContact CD1-CD1 3.69Å; L151-Y284 HydrophobicContact CD1-CE1 3.47Å; L151-Y284 VanDerWaalsContact CD1-CE1 3.47Å; L151-Y284 HydrophobicContact CD1-CE2 4.49Å; L151-Y284 HydrophobicContact CD1-CG 4.3Å; L151-Y284 HydrophobicContact CD2-CE1 4.2Å; L151-Y284 HydrophobicContact CD2-CE2 4.36Å; L151-Y284 WeakPolarHBondContact CD2-OH 3.42Å; L151-Y284 HydrophobicContact CG-CE1 4.42Å; W174-Y284 HydrophobicContact CB-CD1 4.04Å; W174-Y284 HydrophobicContact CB-CE1 4.48Å; W174-Y284 AromaticContact CD2-CD1 3.96Å; W174-Y284 HydrophobicContact CD2-CD1 3.96Å; W174-Y284 HydrophobicContact CD2-CG 4.47Å; W174-Y284 HydrophobicContact CE3-CD1 4.15Å; W174-Y284 AromaticContact CG-CD1 3.92Å; W174-Y284 HydrophobicContact CG-CD1 3.92Å; W174-Y284 WeakPolarHBondContact CH2-O 3.42Å; I178-Y284 HydrophobicContact CD1-CE1 3.82Å; L282-Y284 PolarHBondContact O-N 3.44Å
285Y95.9Very high89.6Confident4 Ų431.7 Ų31.72%0.01620%0.204CC..Hα-helixtrans-69.9-38.7177.6-62.9-92.8000111.9F106 W174 H220 F221 F224 Q225 L282 N283 N287 V288F106-Y285 HydrophobicContact CB-CE2 3.9Å; F106-Y285 VanDerWaalsContact CB-OH 3.31Å; F106-Y285 WeakPolarHBondContact CB-OH 3.26Å; F106-Y285 HydrophobicContact CD1-CE2 4.04Å; F106-Y285 VanDerWaalsContact CD1-OH 3.24Å; F106-Y285 WeakPolarHBondContact CD1-OH 3.47Å; F106-Y285 AromaticContact CD2-CE2 3.76Å; F106-Y285 HydrophobicContact CD2-CE2 3.76Å; F106-Y285 HydrophobicContact CE2-CE2 4.3Å; F106-Y285 AromaticContact CG-CE2 3.62Å; F106-Y285 HydrophobicContact CG-CE2 3.62Å; F106-Y285 AromaticContact CG-CZ 3.96Å; F106-Y285 WeakPolarHBondContact CG-OH 3.37Å; W174-Y285 AromaticContact CD1-CZ 3.93Å; W174-Y285 AromaticContact CZ2-CD1 3.76Å; W174-Y285 HydrophobicContact CZ2-CD1 3.76Å; W174-Y285 HydrophobicContact CZ2-CD2 4.34Å; W174-Y285 AromaticContact CZ2-CE1 3.99Å; W174-Y285 HydrophobicContact CZ2-CE1 3.99Å; W174-Y285 AromaticContact CZ2-CG 3.95Å; W174-Y285 HydrophobicContact CZ2-CG 3.95Å; W174-Y285 AromaticContact NE1-CD1 3.97Å; W174-Y285 AromaticContact NE1-CD2 3.75Å; W174-Y285 AromaticContact NE1-CE1 3.45Å; W174-Y285 AromaticContact NE1-CE2 3.21Å; W174-Y285 AromaticContact NE1-CZ 3.05Å; W174-Y285 PolarHBondContact NE1-OH 2.97Å; H220-Y285 AromaticContact CD2-CE1 3.59Å; H220-Y285 AromaticContact NE2-CE1 3.73Å; F221-Y285 HydrophobicContact CB-CD1 4.5Å; F221-Y285 HydrophobicContact CD1-CE1 4.45Å; F221-Y285 AromaticContact CD2-CD1 3.43Å; F221-Y285 HydrophobicContact CD2-CD1 3.43Å; F221-Y285 VanDerWaalsContact CD2-CD1 3.43Å; F221-Y285 AromaticContact CD2-CE1 3.96Å; F221-Y285 HydrophobicContact CD2-CE1 3.96Å; F221-Y285 HydrophobicContact CE1-CE1 4.31Å; F221-Y285 AromaticContact CE2-CD1 3.64Å; F221-Y285 HydrophobicContact CE2-CD1 3.64Å; F221-Y285 AromaticContact CE2-CE1 3.81Å; F221-Y285 HydrophobicContact CE2-CE1 3.81Å; F221-Y285 AromaticContact CG-CD1 3.92Å; F221-Y285 HydrophobicContact CG-CD1 3.92Å; F221-Y285 HydrophobicContact CG-CE1 4.29Å; F221-Y285 HydrophobicContact CZ-CD1 4.28Å; F221-Y285 AromaticContact CZ-CE1 3.99Å; F221-Y285 HydrophobicContact CZ-CE1 3.99Å; F224-Y285 HydrophobicContact CB-CG 4.2Å; F224-Y285 AromaticContact CD2-CD1 3.84Å; F224-Y285 HydrophobicContact CD2-CD1 3.84Å; F224-Y285 AromaticContact CD2-CD2 3.69Å; F224-Y285 HydrophobicContact CD2-CD2 3.69Å; F224-Y285 HydrophobicContact CD2-CE1 4.02Å; F224-Y285 AromaticContact CD2-CE2 3.83Å; F224-Y285 HydrophobicContact CD2-CE2 3.83Å; F224-Y285 AromaticContact CD2-CG 3.68Å; F224-Y285 HydrophobicContact CD2-CG 3.68Å; F224-Y285 AromaticContact CD2-CZ 3.99Å; F224-Y285 HydrophobicContact CE2-CD2 4.35Å; F224-Y285 HydrophobicContact CE2-CE1 4.33Å; F224-Y285 HydrophobicContact CE2-CE2 4.04Å; F224-Y285 HydrophobicContact CG-CG 4.45Å; Q225-Y285 PolarHBondContact NE2-O 3.32Å; L282-Y285 WeakPolarHBondContact O-CB 3.45Å; L282-Y285 PolarHBondContact O-N 3.38Å; N283-Y285 VanDerWaalsContact C-N 3.31Å; N283-Y285 PolarHBondContact O-N 2.99Å; Y285-N287 PolarHBondContact O-N 3Å; Y285-N287 VanDerWaalsContact O-N 3.13Å; Y285-V288 VanDerWaalsContact O-CG1 3.28Å; Y285-V288 WeakPolarHBondContact O-CG1 3.35Å; Y285-V288 PolarHBondContact O-N 3.35Å; Y285-V288 VanDerWaalsContact O-N 3.14Å
286R95.2Very high88.7Confident33 Ų3331.6 Ų31.613%0.12519%0.194CC..Hα-helixtrans-63.6-18.7-176.8-69.7169.3177.7153.8-2.6114.2T143 F224 Q225 L226 E231 L282 N283T143-R286 HydrophobicContact CG2-CB 4.47Å; F224-R286 WeakPolarHBondContact O-CG 3.47Å; F224-R286 PolarHBondContact O-NE 3.42Å; Q225-R286 PolarHBondContact OE1-O 2.8Å; L226-R286 PolarHBondContact O-NH2 3.47Å; E231-R286 IonicContact OE1-CZ 2.86Å; E231-R286 IonicContact OE1-NH1 3.74Å; E231-R286 PolarHBondContact OE1-NH1 3.28Å; E231-R286 IonicContact OE1-NH2 2.92Å; E231-R286 PolarHBondContact OE1-NH2 2.88Å; E231-R286 IonicContact OE2-NH2 3.18Å; E231-R286 PolarHBondContact OE2-NH2 3.13Å; L282-R286 PolarHBondContact O-N 2.98Å; N283-R286 PolarHBondContact O-N 2.99Å; N283-R286 VanDerWaalsContact OD1-CD 3.29Å; N283-R286 WeakPolarHBondContact OD1-CD 3.03Å; N283-R286 PolarHBondContact OD1-NH1 2.9Å
287N88.2Confident88.3Confident11 Ų1135.6 Ų35.66%0.05920%0.198CC..THydrogen-bonded Turntrans-101.1-9.8178.2-71.6-86.3000113.9T143 Q147 N283 Y285 F289 S290 S291T143-N287 PolarHBondContact O-ND2 2.95Å; T143-N287 PolarHBondContact O-OD1 3.31Å; Q147-N287 HydrophobicContact CG-CB 4.45Å; Q147-N287 WeakPolarHBondContact CG-OD1 3.47Å; N283-N287 PolarHBondContact O-N 3.1Å; N283-N287 PolarHBondContact O-ND2 3.46Å; Y285-N287 PolarHBondContact O-N 3Å; Y285-N287 VanDerWaalsContact O-N 3.13Å; N287-F289 PolarHBondContact O-N 3.44Å; N287-S290 PolarHBondContact O-N 3.41Å; N287-S291 PolarHBondContact O-N 3.3Å; N287-S291 PolarHBondContact O-OG 3.35Å
288V86.8Confident88.1Confident15 Ų1538.3 Ų38.39%0.09121%0.209CC..THydrogen-bonded Turntrans-60.6-43.5-169.380.10000112.5W174 F221 Y285 S290 S291 L292W174-V288 HydrophobicContact CH2-CB 4.02Å; W174-V288 HydrophobicContact CH2-CG2 3.79Å; F221-V288 HydrophobicContact CD2-CG1 3.98Å; F221-V288 HydrophobicContact CE2-CG2 4.39Å; Y285-V288 VanDerWaalsContact O-CG1 3.28Å; Y285-V288 WeakPolarHBondContact O-CG1 3.35Å; Y285-V288 PolarHBondContact O-N 3.35Å; Y285-V288 VanDerWaalsContact O-N 3.14Å; V288-S290 VanDerWaalsContact C-N 3.29Å; V288-S290 PolarHBondContact O-N 2.89Å; V288-S291 PolarHBondContact O-N 3.16Å; V288-S291 VanDerWaalsContact O-N 3.08Å; V288-L292 WeakPolarHBondContact O-CG 3.43Å; V288-L292 PolarHBondContact O-N 2.83Å
289F85.1Confident88Confident18 Ų1837.8 Ų37.88%0.07921%0.206CC..G310 helixtrans-71-28.3-174-64-56.2000112.3Y24 W25 I28 F221 F222 Q225 N287 S291 L292Y24-F289 PolarHBondContact OH-O 3.14Å; Y24-F289 VanDerWaalsContact OH-O 3.1Å; W25-F289 HydrophobicContact CH2-CB 4.19Å; W25-F289 HydrophobicContact CZ3-CB 4.3Å; I28-F289 HydrophobicContact CD1-CB 3.79Å; I28-F289 HydrophobicContact CD1-CD1 3.93Å; I28-F289 HydrophobicContact CD1-CD2 4.33Å; I28-F289 HydrophobicContact CD1-CG 3.76Å; I28-F289 HydrophobicContact CG1-CD1 4.37Å; I28-F289 HydrophobicContact CG1-CG 4.41Å; I28-F289 HydrophobicContact CG2-CD2 3.95Å; I28-F289 HydrophobicContact CG2-CE2 4.07Å; I28-F289 HydrophobicContact CG2-CG 4.44Å; F221-F289 HydrophobicContact CB-CZ 4.17Å; F222-F289 HydrophobicContact CD1-CE1 4.49Å; F222-F289 HydrophobicContact CD1-CE2 4.02Å; F222-F289 AromaticContact CD1-CZ 3.62Å; F222-F289 HydrophobicContact CD1-CZ 3.62Å; F222-F289 HydrophobicContact CD2-CZ 4.24Å; F222-F289 AromaticContact CE1-CE1 3.9Å; F222-F289 HydrophobicContact CE1-CE1 3.9Å; F222-F289 HydrophobicContact CE1-CE2 4.2Å; F222-F289 AromaticContact CE1-CZ 3.45Å; F222-F289 HydrophobicContact CE1-CZ 3.45Å; F222-F289 VanDerWaalsContact CE1-CZ 3.45Å; F222-F289 HydrophobicContact CE2-CZ 4.1Å; F222-F289 HydrophobicContact CG-CE2 4.48Å; F222-F289 HydrophobicContact CG-CZ 4.03Å; F222-F289 AromaticContact CZ-CE1 3.95Å; F222-F289 HydrophobicContact CZ-CE1 3.95Å; F222-F289 AromaticContact CZ-CZ 3.71Å; F222-F289 HydrophobicContact CZ-CZ 3.71Å; Q225-F289 HydrophobicContact CG-CD2 4.11Å; Q225-F289 HydrophobicContact CG-CE2 3.75Å; N287-F289 PolarHBondContact O-N 3.44Å; F289-S291 PolarHBondContact O-N 2.96Å; F289-L292 HydrophobicContact CD1-CD1 4.32Å; F289-L292 PolarHBondContact O-N 2.83Å
290S82.2Confident87.9Confident78 Ų7844.2 Ų44.255%0.54523%0.225SC..G310 helixtrans-72.2-20.6174.1-58.70000112.6N287 V288N287-S290 PolarHBondContact O-N 3.41Å; V288-S290 VanDerWaalsContact C-N 3.29Å; V288-S290 PolarHBondContact O-N 2.89Å
291S78.8Confident87.9Confident33 Ų3344.4 Ų44.423%0.23123%0.227CC..G310 helixtrans-94.4-2.3179-56.70000113.9N287 V288 F289 L294N287-S291 PolarHBondContact O-N 3.3Å; N287-S291 PolarHBondContact O-OG 3.35Å; V288-S291 PolarHBondContact O-N 3.16Å; V288-S291 VanDerWaalsContact O-N 3.08Å; F289-S291 PolarHBondContact O-N 2.96Å; S291-L294 WeakPolarHBondContact O-CD2 3.21Å
292L79.9Confident87.9Confident44 Ų4445.8 Ų45.823%0.2324%0.235CC..PPolyproline II helixtrans-97.4149.4-179.4-68.8177.5000112.5T205 V288 F289 L294T205-L292 HydrophobicContact CG2-CD2 4.05Å; T205-L292 VanDerWaalsContact OG1-CD2 3.24Å; T205-L292 WeakPolarHBondContact OG1-CD2 3.4Å; V288-L292 WeakPolarHBondContact O-CG 3.43Å; V288-L292 PolarHBondContact O-N 2.83Å; F289-L292 HydrophobicContact CD1-CD1 4.32Å; F289-L292 PolarHBondContact O-N 2.83Å; L292-L294 HydrophobicContact CD2-CD1 4.32Å; L292-L294 HydrophobicContact CD2-CG 4.16Å
293P72.8Confident88Confident107 Ų10745.8 Ų45.870%0.69524%0.235SC*.SBendcis-77.7142.3-6.932.5-33.8000111.5T205T205-P293 HydrophobicContact CG2-CB 4.22Å
294L74.9Confident88Confident33 Ų3345.7 Ų45.717%0.17324%0.235CC..PPolyproline II helixtrans-74.2140.7175.4-70.2165.9000110.8L148 P201 S291 L292 H296L148-L294 HydrophobicContact CD1-CD1 4.43Å; L148-L294 HydrophobicContact CD1-CD2 4.16Å; P201-L294 HydrophobicContact CB-CD1 3.24Å; P201-L294 HydrophobicContact CG-CD1 4.31Å; S291-L294 WeakPolarHBondContact O-CD2 3.21Å; L292-L294 HydrophobicContact CD2-CD1 4.32Å; L292-L294 HydrophobicContact CD2-CG 4.16Å; L294-H296 PolarHBondContact O-N 3.3Å
295S73.9Confident88.2Confident78 Ų7845.5 Ų45.555%0.54523%0.234SC..PPolyproline II helixtrans-60.6129.5177.8-179.80000111.1R297S295-R297 VanDerWaalsContact C-N 3.35Å; S295-R297 PolarHBondContact O-N 3.44Å
296H77.3Confident88.3Confident103 Ų10345.3 Ų45.348%0.47723%0.233SC..  trans-6389.6173.3-64.968.4000110.9D206 L294 Y325D206-H296 IonicContact OD2-CD2 3.55Å; D206-H296 IonicContact OD2-CE1 3.9Å; D206-H296 IonicContact OD2-NE2 3.86Å; D206-H296 PolarHBondContact OD2-NE2 2.84Å; L294-H296 PolarHBondContact O-N 3.3Å; H296-Y325 HydrophobicContact CB-CE1 4.06Å; H296-Y325 AromaticContact CD2-CE1 3.61Å; H296-Y325 AromaticContact CD2-CZ 3.74Å; H296-Y325 PolarHBondContact CD2-OH 2.97Å; H296-Y325 PolarHBondContact NE2-OH 3.26Å
297R86.4Confident88.4Confident118 Ų11843.7 Ų43.745%0.44523%0.227SC..  trans-115.6155.5177.8-65.7-173.3177.3-165.41.1110.7I184 H200 S295I184-R297 HydrophobicContact CD1-CB 4.33Å; I184-R297 HydrophobicContact CG1-CB 4.31Å; I184-R297 HydrophobicContact CG2-CB 3.45Å; I184-R297 VanDerWaalsContact CG2-CB 3.45Å; I184-R297 VanDerWaalsContact CG2-CD 3.42Å; I184-R297 HydrophobicContact CG2-CG 4.06Å; H200-R297 PolarHBondContact CE1-O 3.47Å; H200-R297 PolarHBondContact NE2-O 3.35Å; S295-R297 VanDerWaalsContact C-N 3.35Å; S295-R297 PolarHBondContact O-N 3.44Å
298H92.4Very high88.8Confident67 Ų6743.2 Ų43.231%0.3123%0.225SC..  trans-104.7144.7-176.4-64.180.3000111.3Y325 R327H298-Y325 CarbonylContact C-O 3.55Å; H298-Y325 WeakPolarHBondContact CA-O 3.12Å; H298-Y325 WeakPolarHBondContact CB-O 3.38Å; H298-R327 HydrophobicContact CB-CG 3.7Å; H298-R327 PolarHBondContact CD2-NE 3.34Å; H298-R327 PolarHBondContact CE1-NH2 3.18Å; H298-R327 PolarHBondContact NE2-NE 3.5Å; H298-R327 PolarHBondContact NE2-NH2 3.4Å
299V96.2Very high89.2Confident0 Ų046.3 Ų46.30%024%0.238CC..BIsolated β-bridgetrans-87.6134.7170.41780000110.1W180 A183 I184 L193 S301 V303 Y325 R327W180-V299 HydrophobicContact CE3-CG2 3.71Å; W180-V299 HydrophobicContact CZ3-CB 4.41Å; W180-V299 HydrophobicContact CZ3-CG2 3.84Å; A183-V299 HydrophobicContact CB-CG1 4.03Å; A183-V299 HydrophobicContact CB-CG2 4.42Å; I184-V299 HydrophobicContact CG1-CG2 3.87Å; L193-V299 HydrophobicContact CD2-CG1 4.16Å; V299-S301 VanDerWaalsContact CG1-OG 3.27Å; V299-S301 WeakPolarHBondContact CG1-OG 3.44Å; V299-V303 HydrophobicContact CB-CG2 4.47Å; V299-V303 HydrophobicContact CG1-CG2 3.73Å; V299-Y325 PolarHBondContact N-O 2.98Å; V299-R327 PolarHBondContact O-N 2.95Å
300R95.4Very high89.6Confident180 Ų18052.3 Ų52.368%0.67926%0.26SS*.  trans-104-20-177.5-63.5-179.3178.2173.9-0.6113.6P187 N328P187-R300 HydrophobicContact CB-CB 4.32Å; R300-N328 VanDerWaalsContact O-CB 3.26Å; R300-N328 WeakPolarHBondContact O-CB 3.24Å; R300-N328 PolarHBondContact O-ND2 2.86Å
301S95.8Very high90.2Very high5 Ų549.1 Ų49.14%0.03524%0.237CC..SBendtrans-72.1154173.555.60000110.8V299 V303V299-S301 VanDerWaalsContact CG1-OG 3.27Å; V299-S301 WeakPolarHBondContact CG1-OG 3.44Å; S301-V303 WeakPolarHBondContact O-CG2 3.33Å
302P97.9Very high90.9Very high28 Ų2849.1 Ų49.118%0.18224%0.239CC..  trans-56.1140.3163.1-23.434.9000110.4T191 K192 L193 H329 F357T191-P302 WeakPolarHBondContact O-CD 2.83Å; K192-P302 HydrophobicContact CG-CB 4.45Å; L193-P302 PolarHBondContact N-O 3.41Å; P302-H329 CarbonylContact C-O 3.58Å; P302-H329 WeakPolarHBondContact CA-O 3.34Å; P302-H329 HydrophobicContact CB-CB 4.25Å; P302-F357 HydrophobicContact CB-CE2 4.23Å; P302-F357 HydrophobicContact CB-CZ 3.9Å
303V98.6Very high91.6Very high0 Ų048.9 Ų48.90%024%0.236CC..EExtended strand (participates in β ladder)trans-127.3132.7-176.9-174.10000112W180 L193 V299 S301 I326 H329 F330 R331 F357W180-V303 HydrophobicContact CH2-CG1 3.58Å; W180-V303 HydrophobicContact CZ2-CG1 4.41Å; W180-V303 HydrophobicContact CZ3-CG1 3.99Å; W180-V303 HydrophobicContact CZ3-CG2 4.19Å; L193-V303 HydrophobicContact CB-CG2 4.19Å; L193-V303 HydrophobicContact CD2-CG1 4.29Å; L193-V303 HydrophobicContact CD2-CG2 4.1Å; L193-V303 HydrophobicContact CG-CG1 4.41Å; L193-V303 CarbonylContact O-C 3.54Å; L193-V303 VanDerWaalsContact O-CA 3.29Å; L193-V303 WeakPolarHBondContact O-CA 3.42Å; V299-V303 HydrophobicContact CB-CG2 4.47Å; V299-V303 HydrophobicContact CG1-CG2 3.73Å; S301-V303 WeakPolarHBondContact O-CG2 3.33Å; V303-I326 HydrophobicContact CB-CD1 4.18Å; V303-I326 HydrophobicContact CB-CG2 4.22Å; V303-I326 HydrophobicContact CG1-CD1 4.25Å; V303-I326 HydrophobicContact CG2-CD1 4.26Å; V303-I326 HydrophobicContact CG2-CG1 4.26Å; V303-I326 HydrophobicContact CG2-CG2 3.78Å; V303-H329 PolarHBondContact N-O 3.14Å; V303-F330 HydrophobicContact CB-CD2 4.11Å; V303-F330 HydrophobicContact CG1-CD2 4.25Å; V303-F330 HydrophobicContact CG1-CE2 4.43Å; V303-F330 CarbonylContact O-C 3.4Å; V303-F330 WeakPolarHBondContact O-CA 3.03Å; V303-R331 PolarHBondContact O-N 3.37Å; V303-F357 VanDerWaalsContact C-CZ 3.48Å
304L98.8Very high92.6Very high0 Ų044.6 Ų44.60%021%0.207CC..EExtended strand (participates in β ladder)trans-106.7123160.8174.663.6000108.9L193 I194 V195 L306 R331 I354 F357L193-L304 PolarHBondContact O-N 3.33Å; I194-L304 CarbonylContact C-O 3.6Å; I194-L304 WeakPolarHBondContact CA-O 3.37Å; I194-L304 HydrophobicContact CG1-CB 4.25Å; I194-L304 HydrophobicContact CG2-CB 4.43Å; I194-L304 HydrophobicContact CG2-CD2 4.09Å; I194-L304 HydrophobicContact CG2-CG 4.41Å; V195-L304 PolarHBondContact N-O 2.78Å; L304-L306 HydrophobicContact CD1-CD2 3.68Å; L304-L306 HydrophobicContact CD1-CG 4.42Å; L304-L306 HydrophobicContact CD2-CD1 4.35Å; L304-L306 HydrophobicContact CD2-CD2 3.95Å; L304-L306 HydrophobicContact CD2-CG 4.11Å; L304-L306 HydrophobicContact CG-CD2 3.81Å; L304-L306 HydrophobicContact CG-CG 4.02Å; L304-R331 CarbonylContact C-O 3.48Å; L304-R331 WeakPolarHBondContact CA-O 3.49Å; L304-R331 HydrophobicContact CD1-CB 3.92Å; L304-R331 HydrophobicContact CD1-CG 3.77Å; L304-I354 HydrophobicContact CD2-CG1 4.13Å; L304-F357 HydrophobicContact CB-CB 4.24Å; L304-F357 HydrophobicContact CB-CD1 3.58Å; L304-F357 HydrophobicContact CB-CD2 3.91Å; L304-F357 HydrophobicContact CB-CE1 3.74Å; L304-F357 HydrophobicContact CB-CE2 4.06Å; L304-F357 HydrophobicContact CB-CG 3.65Å; L304-F357 HydrophobicContact CB-CZ 3.99Å; L304-F357 HydrophobicContact CD1-CB 4.44Å; L304-F357 HydrophobicContact CD2-CB 3.75Å; L304-F357 HydrophobicContact CD2-CD1 4.11Å; L304-F357 HydrophobicContact CD2-CG 4.05Å; L304-F357 HydrophobicContact CG-CB 4.37Å; L304-F357 HydrophobicContact CG-CD1 4.45Å; L304-F357 HydrophobicContact CG-CG 4.31Å
305L98.8Very high93.6Very high0 Ų043.9 Ų43.90%020%0.203CC..EExtended strand (participates in β ladder)trans-107.9120.3168.5-178.857.6000108.8V195 W307 A319 C322 F330 R331 L332 N333V195-L305 HydrophobicContact CB-CD1 4.02Å; V195-L305 HydrophobicContact CG1-CD1 4.13Å; V195-L305 WeakPolarHBondContact O-CA 3.4Å; L305-W307 HydrophobicContact CD1-CE3 4.19Å; L305-W307 HydrophobicContact CD2-CE3 4.3Å; L305-W307 HydrophobicContact CG-CE3 4.37Å; L305-A319 HydrophobicContact CD2-CB 4.14Å; L305-A319 WeakPolarHBondContact CD2-O 3.38Å; L305-C322 HydrophobicContact CD2-CB 3.93Å; L305-F330 HydrophobicContact CB-CE2 3.73Å; L305-F330 HydrophobicContact CB-CZ 4.08Å; L305-F330 HydrophobicContact CD2-CE2 4.33Å; L305-F330 HydrophobicContact CD2-CZ 4.14Å; L305-R331 PolarHBondContact N-O 3.49Å; L305-L332 HydrophobicContact CB-CD1 4.01Å; L305-L332 HydrophobicContact CD2-CD1 3.98Å; L305-L332 HydrophobicContact CG-CD1 3.81Å; L305-L332 WeakPolarHBondContact O-CA 3.37Å; L305-L332 WeakPolarHBondContact O-CD1 3.33Å; L305-N333 PolarHBondContact O-N 2.77Å
306L98.8Very high94.6Very high0 Ų043.6 Ų43.60%019%0.193CC..EExtended strand (participates in β ladder)trans-105.2135172.4-58.2-174.8000108.7V195 L196 N197 L304 N333 I335 L342 V350 L353 I354V195-L306 PolarHBondContact O-N 3.41Å; L196-L306 WeakPolarHBondContact CA-O 3.31Å; L196-L306 HydrophobicContact CD1-CB 4.48Å; L196-L306 HydrophobicContact CD1-CD1 4.13Å; L196-L306 HydrophobicContact CG-CB 4.12Å; L196-L306 HydrophobicContact CG-CD1 4.19Å; N197-L306 PolarHBondContact N-O 3.21Å; L304-L306 HydrophobicContact CD1-CD2 3.68Å; L304-L306 HydrophobicContact CD1-CG 4.42Å; L304-L306 HydrophobicContact CD2-CD1 4.35Å; L304-L306 HydrophobicContact CD2-CD2 3.95Å; L304-L306 HydrophobicContact CD2-CG 4.11Å; L304-L306 HydrophobicContact CG-CD2 3.81Å; L304-L306 HydrophobicContact CG-CG 4.02Å; L306-N333 WeakPolarHBondContact CA-O 3.47Å; L306-N333 HydrophobicContact CD2-CB 3.75Å; L306-I335 HydrophobicContact CB-CD1 4.37Å; L306-L342 HydrophobicContact CB-CD1 3.77Å; L306-V350 HydrophobicContact CD1-CB 4.41Å; L306-V350 HydrophobicContact CD1-CG1 3.91Å; L306-V350 HydrophobicContact CD1-CG2 4.38Å; L306-L353 HydrophobicContact CD2-CB 4.01Å; L306-L353 HydrophobicContact CD2-CD1 3.82Å; L306-I354 HydrophobicContact CD1-CG1 4.29Å
307W98.4Very high95.4Very high0 Ų044.4 Ų44.40%020%0.197CC..EExtended strand (participates in β ladder)trans-138.6126.3-176.1-159.4-76.2000112.4N197 P199 L305 E309 L314 E315 M318 A319 L332 N333 I334 I335N197-W307 WeakPolarHBondContact OD1-CA 3.42Å; P199-W307 HydrophobicContact CB-CH2 4.07Å; P199-W307 HydrophobicContact CB-CZ3 4.14Å; P199-W307 HydrophobicContact CG-CH2 4.25Å; L305-W307 HydrophobicContact CD1-CE3 4.19Å; L305-W307 HydrophobicContact CD2-CE3 4.3Å; L305-W307 HydrophobicContact CG-CE3 4.37Å; W307-E309 PolarHBondContact O-N 2.79Å; W307-L314 HydrophobicContact CH2-CB 3.99Å; W307-L314 HydrophobicContact CH2-CD1 4.46Å; W307-L314 HydrophobicContact CZ2-CB 3.55Å; W307-E315 WeakPolarHBondContact CZ2-O 3.5Å; W307-M318 HydrophobicContact CH2-CB 4.13Å; W307-M318 HydrophobicContact CH2-CE 4.43Å; W307-A319 HydrophobicContact CB-CB 4.32Å; W307-A319 HydrophobicContact CD2-CB 3.68Å; W307-A319 HydrophobicContact CE3-CB 3.49Å; W307-A319 VanDerWaalsContact CE3-CB 3.49Å; W307-A319 HydrophobicContact CG-CB 4.05Å; W307-A319 HydrophobicContact CZ3-CB 3.98Å; W307-L332 HydrophobicContact CB-CD1 4.5Å; W307-N333 PolarHBondContact N-O 2.85Å; W307-I334 HydrophobicContact CB-CD1 3.68Å; W307-I334 HydrophobicContact CG-CD1 4.26Å; W307-I334 CarbonylContact O-C 3.48Å; W307-I334 VanDerWaalsContact O-CA 3.31Å; W307-I334 WeakPolarHBondContact O-CA 3.47Å; W307-I335 PolarHBondContact O-N 2.92Å
308G96.3Very high95.8Very high0 Ų038.8 Ų38.80%018%0.176CC..EExtended strand (participates in β ladder)trans-74.6122.1173.100000112N197 R310 D311 A338 L342N197-G308 PolarHBondContact ND2-N 3.02Å; N197-G308 VanDerWaalsContact ND2-N 3.19Å; N197-G308 PolarHBondContact OD1-N 3.43Å; G308-R310 PolarHBondContact O-N 3.13Å; G308-R310 VanDerWaalsContact O-N 3.1Å; G308-D311 PolarHBondContact O-N 3.31Å; G308-A338 CarbonylContact C-O 3.51Å; G308-A338 WeakPolarHBondContact CA-O 3.32Å; G308-L342 VanDerWaalsContact CA-CD2 3.48Å
309E94.8Very high95.9Very high80 Ų8035.6 Ų35.637%0.37416%0.161SC..THydrogen-bonded Turntrans-54.9-29177.9-179.7-171.6-155.100112.7W307 I334 I335 S336 G337 A338W307-E309 PolarHBondContact O-N 2.79Å; E309-I334 HydrophobicContact CB-CG2 4.04Å; E309-I335 PolarHBondContact N-O 2.89Å; E309-I335 VanDerWaalsContact N-O 3.15Å; E309-S336 VanDerWaalsContact OE2-CA 3.29Å; E309-S336 WeakPolarHBondContact OE2-CA 3.24Å; E309-S336 PolarHBondContact OE2-OG 3.13Å; E309-S336 VanDerWaalsContact OE2-OG 3.06Å; E309-G337 PolarHBondContact OE2-N 3.43Å; E309-A338 PolarHBondContact N-O 3.07Å
310R92.6Very high95.8Very high144 Ų14441.2 Ų41.254%0.54319%0.188SC..THydrogen-bonded Turntrans-108.830.1-175.1-59.7-67-171.7158.9-0.7112.7R255 G308 A312 A338R255-R310 VanDerWaalsContact NH1-CB 3.3Å; G308-R310 PolarHBondContact O-N 3.13Å; G308-R310 VanDerWaalsContact O-N 3.1Å; R310-A312 PolarHBondContact O-N 3.22Å; R310-A338 WeakPolarHBondContact CA-O 3.44Å; R310-A338 WeakPolarHBondContact CB-O 3.45Å; R310-A338 PolarHBondContact N-O 3.37Å
311D95.2Very high95.8Very high11 Ų1134.2 Ų34.26%0.05917%0.168CC..  trans-60.3125.2172-166.5-26.7000111N197 G308 F313 L314 H340N197-D311 WeakPolarHBondContact ND2-CB 3.31Å; N197-D311 PolarHBondContact ND2-OD2 2.86Å; G308-D311 PolarHBondContact O-N 3.31Å; D311-F313 WeakPolarHBondContact OD1-CA 3.38Å; D311-F313 PolarHBondContact OD1-N 2.99Å; D311-L314 PolarHBondContact OD1-N 3.26Å; D311-L314 VanDerWaalsContact OD1-N 3.11Å; D311-H340 IonicContact OD1-CG 3.97Å; D311-H340 IonicContact OD1-ND1 3.77Å; D311-H340 PolarHBondContact OD1-ND1 3.41Å; D311-H340 IonicContact OD2-CE1 3.79Å; D311-H340 IonicContact OD2-CG 2.85Å; D311-H340 IonicContact OD2-ND1 2.88Å; D311-H340 PolarHBondContact OD2-ND1 2.9Å
312A93.8Very high95.8Very high33 Ų3334 Ų3427%0.27317%0.166SC..SBendtrans-85-17-18000000113.2T251 R310T251-A312 HydrophobicContact CG2-CB 3.84Å; R310-A312 PolarHBondContact O-N 3.22Å
313F94.3Very high95.7Very high40 Ų4038 Ų3818%0.17518%0.178CC..SBendtrans-106.2-34.5-172.2-53.1-72.4000112.4Q214 K217 L245 T251 D311 H340 W341Q214-F313 PolarHBondContact NE2-O 3.2Å; K217-F313 WeakPolarHBondContact CB-O 3.46Å; L245-F313 HydrophobicContact CD1-CE1 4.11Å; L245-F313 HydrophobicContact CD1-CE2 4.24Å; L245-F313 HydrophobicContact CD1-CZ 3.39Å; T251-F313 HydrophobicContact CG2-CE1 4.5Å; T251-F313 HydrophobicContact CG2-CE2 4.42Å; T251-F313 HydrophobicContact CG2-CZ 3.79Å; D311-F313 WeakPolarHBondContact OD1-CA 3.38Å; D311-F313 PolarHBondContact OD1-N 2.99Å; F313-H340 HydrophobicContact CD2-CB 3.72Å; F313-H340 AromaticContact CD2-CD2 3.89Å; F313-H340 AromaticContact CD2-CG 3.55Å; F313-H340 AromaticContact CD2-ND1 3.87Å; F313-H340 HydrophobicContact CE2-CB 3.98Å; F313-W341 HydrophobicContact CE2-CZ2 4.38Å
314L95.1Very high95.5Very high16 Ų1644 Ų448%0.08421%0.209CC..SBendtrans-125.1133.5-174.1-60.4166.3000111.7N197 F204 W307 D311 M318N197-L314 WeakPolarHBondContact O-CD1 3.38Å; F204-L314 HydrophobicContact CD2-CD2 4.07Å; F204-L314 HydrophobicContact CE2-CD2 3.84Å; W307-L314 HydrophobicContact CH2-CB 3.99Å; W307-L314 HydrophobicContact CH2-CD1 4.46Å; W307-L314 HydrophobicContact CZ2-CB 3.55Å; D311-L314 PolarHBondContact OD1-N 3.26Å; D311-L314 VanDerWaalsContact OD1-N 3.11Å; L314-M318 HydrophobicContact CB-CE 3.97Å; L314-M318 HydrophobicContact CD2-CE 3.93Å
315E94.9Very high95.4Very high18 Ų1845.1 Ų45.18%0.08421%0.214CC..  trans-77132.2176.9-76.9178.8-170.800112.2Y207 S213 Q214 K217 W307 E317 M318Y207-E315 HydrophobicContact CE1-CB 4Å; Y207-E315 WeakPolarHBondContact CE1-OE2 3.44Å; Y207-E315 PolarHBondContact OH-OE2 3.15Å; S213-E315 WeakPolarHBondContact CB-OE1 3.47Å; S213-E315 VanDerWaalsContact OG-CD 3.29Å; S213-E315 PolarHBondContact OG-OE1 3.38Å; S213-E315 PolarHBondContact OG-OE2 2.87Å; Q214-E315 PolarHBondContact N-OE1 2.93Å; K217-E315 HydrophobicContact CD-CG 4.05Å; K217-E315 WeakPolarHBondContact CE-OE1 3.43Å; K217-E315 IonicContact NZ-OE1 3.67Å; W307-E315 WeakPolarHBondContact CZ2-O 3.5Å; E315-E317 PolarHBondContact O-N 3.11Å; E315-M318 HydrophobicContact CB-CE 4.22Å; E315-M318 VanDerWaalsContact N-CE 3.34Å; E315-M318 WeakPolarHBondContact O-CB 3.33Å; E315-M318 WeakPolarHBondContact O-CE 3.36Å; E315-M318 PolarHBondContact O-N 3.07Å
316Q94.3Very high95.2Very high72 Ų7245.4 Ų45.434%0.33622%0.215SC..THydrogen-bonded Turntrans-63.2-28.8-172.2-175.2-175.9-56.800112.4M318 A319 I334Q316-M318 PolarHBondContact O-N 3.32Å; Q316-M318 VanDerWaalsContact O-N 3.15Å; Q316-A319 WeakPolarHBondContact O-CB 3.04Å; Q316-A319 PolarHBondContact O-N 2.93Å; Q316-I334 HydrophobicContact CG-CD1 3.88Å; Q316-I334 HydrophobicContact CG-CG1 4.49Å; Q316-I334 HydrophobicContact CG-CG2 4.48Å
317E93.9Very high95Very high121 Ų12154 Ų5457%0.56525%0.248SC*.Hα-helixtrans-57.5-28.6178.7-67.174.4-169.600112Y207 E315 A319Y207-E317 HydrophobicContact CE2-CB 3.76Å; Y207-E317 WeakPolarHBondContact OH-CB 3.41Å; E315-E317 PolarHBondContact O-N 3.11Å; E317-A319 PolarHBondContact O-N 2.65Å
318M95.3Very high94.7Very high0 Ų057.6 Ų57.60%027%0.267CS..Hα-helixtrans-66.3-26.7174-68.7-173.6-76.400112.8P199 V203 F204 Y207 Q214 W307 L314 E315 Q316 E320 A321 C322P199-M318 HydrophobicContact CB-CB 3.88Å; P199-M318 HydrophobicContact CB-SD 4.27Å; P199-M318 HydrophobicContact CG-CE 4.33Å; P199-M318 HydrophobicContact CG-SD 3.97Å; V203-M318 HydrophobicContact CG1-CB 3.83Å; V203-M318 HydrophobicContact CG1-CG 4.07Å; F204-M318 HydrophobicContact CD2-SD 4.11Å; Y207-M318 HydrophobicContact CD1-CE 4.49Å; Y207-M318 HydrophobicContact CD1-CG 3.59Å; Y207-M318 HydrophobicContact CD1-SD 3.78Å; Y207-M318 HydrophobicContact CD2-CG 3.61Å; Y207-M318 HydrophobicContact CE1-CG 4.09Å; Y207-M318 HydrophobicContact CE2-CG 4.11Å; Y207-M318 HydrophobicContact CG-CG 3.33Å; Y207-M318 HydrophobicContact CG-SD 3.87Å; Q214-M318 HydrophobicContact CG-CE 4.15Å; W307-M318 HydrophobicContact CH2-CB 4.13Å; W307-M318 HydrophobicContact CH2-CE 4.43Å; L314-M318 HydrophobicContact CB-CE 3.97Å; L314-M318 HydrophobicContact CD2-CE 3.93Å; E315-M318 HydrophobicContact CB-CE 4.22Å; E315-M318 VanDerWaalsContact N-CE 3.34Å; E315-M318 WeakPolarHBondContact O-CB 3.33Å; E315-M318 WeakPolarHBondContact O-CE 3.36Å; E315-M318 PolarHBondContact O-N 3.07Å; Q316-M318 PolarHBondContact O-N 3.32Å; Q316-M318 VanDerWaalsContact O-N 3.15Å; M318-E320 PolarHBondContact O-N 3.41Å; M318-A321 PolarHBondContact O-N 3.49Å; M318-C322 PolarHBondContact O-N 3.25Å; M318-C322 PolarHBondContact O-SG 3.36Å
319A95.6Very high94.7Very high0 Ų061.2 Ų61.20%028%0.283CS..Hα-helixtrans-63.3-45.3-174.900000111.8L305 W307 Q316 E317 C322 L332 I334L305-A319 HydrophobicContact CD2-CB 4.14Å; L305-A319 WeakPolarHBondContact CD2-O 3.38Å; W307-A319 HydrophobicContact CB-CB 4.32Å; W307-A319 HydrophobicContact CD2-CB 3.68Å; W307-A319 HydrophobicContact CE3-CB 3.49Å; W307-A319 VanDerWaalsContact CE3-CB 3.49Å; W307-A319 HydrophobicContact CG-CB 4.05Å; W307-A319 HydrophobicContact CZ3-CB 3.98Å; Q316-A319 WeakPolarHBondContact O-CB 3.04Å; Q316-A319 PolarHBondContact O-N 2.93Å; E317-A319 PolarHBondContact O-N 2.65Å; A319-C322 WeakPolarHBondContact O-CB 3.46Å; A319-C322 PolarHBondContact O-N 2.86Å; A319-L332 HydrophobicContact CB-CD1 3.83Å; A319-L332 HydrophobicContact CB-CD2 4.03Å; A319-I334 HydrophobicContact CB-CD1 4.26Å
320E94.6Very high94.8Very high118 Ų11858.6 Ų58.655%0.55127%0.271SS*.Hα-helixtrans-68.9-38.7178-170.859-141.600111.3M318 C322 R323 L332M318-E320 PolarHBondContact O-N 3.41Å; E320-C322 PolarHBondContact O-N 3.4Å; E320-C322 VanDerWaalsContact O-N 3.08Å; E320-R323 WeakPolarHBondContact O-CB 3.41Å; E320-R323 PolarHBondContact O-N 3.19Å; E320-L332 HydrophobicContact CB-CD2 4.39Å; E320-L332 VanDerWaalsContact OE2-CD2 3.28Å; E320-L332 WeakPolarHBondContact OE2-CD2 3.38Å
321A94.9Very high95.1Very high32 Ų3254.4 Ų54.426%0.26426%0.255SS..Hα-helixtrans-60.6-22.2178.300000113.3V203 M318 R323 L324V203-A321 HydrophobicContact CG1-CB 3.73Å; V203-A321 HydrophobicContact CG2-CB 4.22Å; M318-A321 PolarHBondContact O-N 3.49Å; A321-R323 PolarHBondContact O-N 3.39Å; A321-L324 WeakPolarHBondContact O-CB 3.46Å; A321-L324 WeakPolarHBondContact O-CG 3.21Å; A321-L324 PolarHBondContact O-N 2.92Å
322C95.9Very high95.2Very high0 Ų055.8 Ų55.80%026%0.262CS..G310 helixtrans-60.7-27.2174.2-63.90000112.9H200 L305 M318 A319 E320 L324 Y325 I326 F330H200-C322 HydrophobicContact CB-CB 4.36Å; H200-C322 PolarHBondContact N-SG 3.46Å; L305-C322 HydrophobicContact CD2-CB 3.93Å; M318-C322 PolarHBondContact O-N 3.25Å; M318-C322 PolarHBondContact O-SG 3.36Å; A319-C322 WeakPolarHBondContact O-CB 3.46Å; A319-C322 PolarHBondContact O-N 2.86Å; E320-C322 PolarHBondContact O-N 3.4Å; E320-C322 VanDerWaalsContact O-N 3.08Å; C322-L324 PolarHBondContact O-N 3.34Å; C322-L324 VanDerWaalsContact O-N 3.1Å; C322-Y325 PolarHBondContact O-N 2.96Å; C322-Y325 VanDerWaalsContact O-N 3.07Å; C322-I326 WeakPolarHBondContact O-CD1 3.46Å; C322-I326 WeakPolarHBondContact O-CG1 3.27Å; C322-F330 HydrophobicContact CB-CZ 4.4Å
323R95.7Very high95.4Very high112 Ų11256.1 Ų56.142%0.42326%0.26SS..G310 helixtrans-51.2-36.3176.7179.470.6-174.3117.2-11112.4E320 A321 Y325 I326 N328 F330E320-R323 WeakPolarHBondContact O-CB 3.41Å; E320-R323 PolarHBondContact O-N 3.19Å; A321-R323 PolarHBondContact O-N 3.39Å; R323-Y325 PolarHBondContact O-N 3.17Å; R323-I326 PolarHBondContact NH1-O 2.89Å; R323-I326 PolarHBondContact O-N 3.45Å; R323-N328 PolarHBondContact NH1-O 3.2Å; R323-F330 HydrophobicContact CB-CD1 4.07Å; R323-F330 HydrophobicContact CB-CE1 3.96Å; R323-F330 HydrophobicContact CG-CD1 4.28Å
324L94.3Very high95.6Very high127 Ų12757.4 Ų57.467%0.66527%0.268SS*.G310 helixtrans-59.7-28.1-176.9-63.3174.6000113A321 C322A321-L324 WeakPolarHBondContact O-CB 3.46Å; A321-L324 WeakPolarHBondContact O-CG 3.21Å; A321-L324 PolarHBondContact O-N 2.92Å; C322-L324 PolarHBondContact O-N 3.34Å; C322-L324 VanDerWaalsContact O-N 3.1Å
325Y95.4Very high95.7Very high23 Ų2357 Ų579%0.0927%0.266CS..G310 helixtrans-98.65.2-175.8-63-85.4000113.1H200 V203 D206 H296 H298 V299 C322 R323H200-Y325 AromaticContact CE1-CD1 3.7Å; H200-Y325 AromaticContact CE1-CG 3.71Å; H200-Y325 AromaticContact ND1-CD1 3.95Å; H200-Y325 AromaticContact ND1-CD2 3.88Å; H200-Y325 AromaticContact ND1-CG 3.63Å; V203-Y325 HydrophobicContact CG2-CD2 3.57Å; V203-Y325 HydrophobicContact CG2-CE2 3.39Å; D206-Y325 PolarHBondContact OD2-OH 2.95Å; H296-Y325 HydrophobicContact CB-CE1 4.06Å; H296-Y325 AromaticContact CD2-CE1 3.61Å; H296-Y325 AromaticContact CD2-CZ 3.74Å; H296-Y325 PolarHBondContact CD2-OH 2.97Å; H296-Y325 PolarHBondContact NE2-OH 3.26Å; H298-Y325 CarbonylContact C-O 3.55Å; H298-Y325 WeakPolarHBondContact CA-O 3.12Å; H298-Y325 WeakPolarHBondContact CB-O 3.38Å; V299-Y325 PolarHBondContact N-O 2.98Å; C322-Y325 PolarHBondContact O-N 2.96Å; C322-Y325 VanDerWaalsContact O-N 3.07Å; R323-Y325 PolarHBondContact O-N 3.17Å
326I96.1Very high95.6Very high6 Ų659.6 Ų59.63%0.03129%0.286CS..BIsolated β-bridgetrans-117.3113.6-171.8-58162.3000109.1W180 V303 C322 R323 F330W180-I326 HydrophobicContact CH2-CD1 3.73Å; W180-I326 HydrophobicContact CH2-CG1 4.3Å; W180-I326 HydrophobicContact CZ3-CD1 4.14Å; W180-I326 HydrophobicContact CZ3-CG1 4.21Å; V303-I326 HydrophobicContact CB-CD1 4.18Å; V303-I326 HydrophobicContact CB-CG2 4.22Å; V303-I326 HydrophobicContact CG1-CD1 4.25Å; V303-I326 HydrophobicContact CG2-CD1 4.26Å; V303-I326 HydrophobicContact CG2-CG1 4.26Å; V303-I326 HydrophobicContact CG2-CG2 3.78Å; C322-I326 WeakPolarHBondContact O-CD1 3.46Å; C322-I326 WeakPolarHBondContact O-CG1 3.27Å; R323-I326 PolarHBondContact NH1-O 2.89Å; R323-I326 PolarHBondContact O-N 3.45Å; I326-F330 HydrophobicContact CB-CB 4.45Å; I326-F330 HydrophobicContact CD1-CB 4.4Å; I326-F330 HydrophobicContact CD1-CD2 3.12Å; I326-F330 HydrophobicContact CD1-CE2 3.31Å; I326-F330 HydrophobicContact CD1-CG 3.85Å; I326-F330 HydrophobicContact CD1-CZ 4.18Å; I326-F330 HydrophobicContact CG1-CD2 4.41Å; I326-F330 HydrophobicContact CG2-CB 3.99Å; I326-F330 HydrophobicContact CG2-CD2 4.49Å
327R93.3Very high95.5Very high182 Ų18257 Ų5769%0.68728%0.278SS*.  trans-88.4-9.7-175.4-67.3-71.1178.2-178.7-4.5113.8H298 V299H298-R327 HydrophobicContact CB-CG 3.7Å; H298-R327 PolarHBondContact CD2-NE 3.34Å; H298-R327 PolarHBondContact CE1-NH2 3.18Å; H298-R327 PolarHBondContact NE2-NE 3.5Å; H298-R327 PolarHBondContact NE2-NH2 3.4Å; V299-R327 PolarHBondContact O-N 2.95Å
328N93.6Very high95.4Very high75 Ų7551.2 Ų51.240%0.40125%0.251SS..SBendtrans-111.6-165.5-179.2-153.5-26.5000110.9R300 R323 F330R300-N328 VanDerWaalsContact O-CB 3.26Å; R300-N328 WeakPolarHBondContact O-CB 3.24Å; R300-N328 PolarHBondContact O-ND2 2.86Å; R323-N328 PolarHBondContact NH1-O 3.2Å; N328-F330 PolarHBondContact O-N 3.36Å
329H95.4Very high95.3Very high75 Ų7551.2 Ų51.235%0.34725%0.251SS..  trans-52.7126.3171.9-17657.5000110.2P302 V303 F357 E360P302-H329 CarbonylContact C-O 3.58Å; P302-H329 WeakPolarHBondContact CA-O 3.34Å; P302-H329 HydrophobicContact CB-CB 4.25Å; V303-H329 PolarHBondContact N-O 3.14Å; H329-F357 AromaticContact CD2-CE2 3.78Å; H329-E360 IonicContact NE2-OE2 3.77Å; H329-E360 PolarHBondContact NE2-OE2 3.47Å
330F97.3Very high95.4Very high26 Ų2651.3 Ų51.311%0.11425%0.251CS..EExtended strand (participates in β ladder)trans-126.3130.2176.1175.6-114.2000108.6V303 L305 C322 R323 I326 N328 L332V303-F330 HydrophobicContact CB-CD2 4.11Å; V303-F330 HydrophobicContact CG1-CD2 4.25Å; V303-F330 HydrophobicContact CG1-CE2 4.43Å; V303-F330 CarbonylContact O-C 3.4Å; V303-F330 WeakPolarHBondContact O-CA 3.03Å; L305-F330 HydrophobicContact CB-CE2 3.73Å; L305-F330 HydrophobicContact CB-CZ 4.08Å; L305-F330 HydrophobicContact CD2-CE2 4.33Å; L305-F330 HydrophobicContact CD2-CZ 4.14Å; C322-F330 HydrophobicContact CB-CZ 4.4Å; R323-F330 HydrophobicContact CB-CD1 4.07Å; R323-F330 HydrophobicContact CB-CE1 3.96Å; R323-F330 HydrophobicContact CG-CD1 4.28Å; I326-F330 HydrophobicContact CB-CB 4.45Å; I326-F330 HydrophobicContact CD1-CB 4.4Å; I326-F330 HydrophobicContact CD1-CD2 3.12Å; I326-F330 HydrophobicContact CD1-CE2 3.31Å; I326-F330 HydrophobicContact CD1-CG 3.85Å; I326-F330 HydrophobicContact CD1-CZ 4.18Å; I326-F330 HydrophobicContact CG1-CD2 4.41Å; I326-F330 HydrophobicContact CG2-CB 3.99Å; I326-F330 HydrophobicContact CG2-CD2 4.49Å; N328-F330 PolarHBondContact O-N 3.36Å; F330-L332 HydrophobicContact CE1-CB 3.77Å; F330-L332 HydrophobicContact CZ-CB 3.88Å
331R97.8Very high95.4Very high55 Ų5545.9 Ų45.921%0.20823%0.226CC..EExtended strand (participates in β ladder)trans-123.8126.3172-177172.3-177.4158.710.9108.9V303 L304 L305 N333 F357 E360V303-R331 PolarHBondContact O-N 3.37Å; L304-R331 CarbonylContact C-O 3.48Å; L304-R331 WeakPolarHBondContact CA-O 3.49Å; L304-R331 HydrophobicContact CD1-CB 3.92Å; L304-R331 HydrophobicContact CD1-CG 3.77Å; L305-R331 PolarHBondContact N-O 3.49Å; R331-N333 WeakPolarHBondContact CG-OD1 3.29Å; R331-N333 PolarHBondContact NE-OD1 2.86Å; R331-F357 HydrophobicContact CB-CD2 4.43Å; R331-E360 IonicContact CZ-OE1 2.8Å; R331-E360 IonicContact NH1-OE1 3.75Å; R331-E360 PolarHBondContact NH1-OE1 3.39Å; R331-E360 IonicContact NH1-OE2 3.27Å; R331-E360 PolarHBondContact NH1-OE2 3.17Å; R331-E360 VanDerWaalsContact NH1-OE2 3.11Å
332L98.3Very high95.4Very high40 Ų4044.3 Ų44.321%0.20921%0.213CC..EExtended strand (participates in β ladder)trans-110.9132.1171.4174.560000109.2L305 W307 A319 E320 F330 I334L305-L332 HydrophobicContact CB-CD1 4.01Å; L305-L332 HydrophobicContact CD2-CD1 3.98Å; L305-L332 HydrophobicContact CG-CD1 3.81Å; L305-L332 WeakPolarHBondContact O-CA 3.37Å; L305-L332 WeakPolarHBondContact O-CD1 3.33Å; W307-L332 HydrophobicContact CB-CD1 4.5Å; A319-L332 HydrophobicContact CB-CD1 3.83Å; A319-L332 HydrophobicContact CB-CD2 4.03Å; E320-L332 HydrophobicContact CB-CD2 4.39Å; E320-L332 VanDerWaalsContact OE2-CD2 3.28Å; E320-L332 WeakPolarHBondContact OE2-CD2 3.38Å; F330-L332 HydrophobicContact CE1-CB 3.77Å; F330-L332 HydrophobicContact CZ-CB 3.88Å; L332-I334 HydrophobicContact CD1-CD1 3.9Å; L332-I334 HydrophobicContact CD2-CD1 4.2Å; L332-I334 HydrophobicContact CG-CD1 4.1Å
333N98.4Very high95.5Very high41 Ų4144.3 Ų44.322%0.21921%0.213CC..EExtended strand (participates in β ladder)trans-129.9115.8170.7-77.299.9000110.3L305 L306 W307 R331 L353L305-N333 PolarHBondContact O-N 2.77Å; L306-N333 WeakPolarHBondContact CA-O 3.47Å; L306-N333 HydrophobicContact CD2-CB 3.75Å; W307-N333 PolarHBondContact N-O 2.85Å; R331-N333 WeakPolarHBondContact CG-OD1 3.29Å; R331-N333 PolarHBondContact NE-OD1 2.86Å; N333-L353 HydrophobicContact CB-CD1 3.93Å; N333-L353 HydrophobicContact CB-CD2 4.4Å
334I98.1Very high95.5Very high67 Ų6739 Ų3934%0.34419%0.193SC..EExtended strand (participates in β ladder)trans-83.7121.3169.2-49.4-55.1000108.5W307 E309 Q316 A319 L332W307-I334 HydrophobicContact CB-CD1 3.68Å; W307-I334 HydrophobicContact CG-CD1 4.26Å; W307-I334 CarbonylContact O-C 3.48Å; W307-I334 VanDerWaalsContact O-CA 3.31Å; W307-I334 WeakPolarHBondContact O-CA 3.47Å; E309-I334 HydrophobicContact CB-CG2 4.04Å; Q316-I334 HydrophobicContact CG-CD1 3.88Å; Q316-I334 HydrophobicContact CG-CG1 4.49Å; Q316-I334 HydrophobicContact CG-CG2 4.48Å; A319-I334 HydrophobicContact CB-CD1 4.26Å; L332-I334 HydrophobicContact CD1-CD1 3.9Å; L332-I334 HydrophobicContact CD2-CD1 4.2Å; L332-I334 HydrophobicContact CG-CD1 4.1Å
335I96.1Very high95.4Very high8 Ų833.2 Ų33.24%0.04116%0.162CC..EExtended strand (participates in β ladder)trans-95.8108.2-177.9-52.5-177.8000108.6L306 W307 E309 G337 A338 L342 I349 V350 L353L306-I335 HydrophobicContact CB-CD1 4.37Å; W307-I335 PolarHBondContact O-N 2.92Å; E309-I335 PolarHBondContact N-O 2.89Å; E309-I335 VanDerWaalsContact N-O 3.15Å; I335-G337 PolarHBondContact O-N 3.29Å; I335-A338 HydrophobicContact CB-CB 3.88Å; I335-A338 HydrophobicContact CG2-CB 3.67Å; I335-A338 WeakPolarHBondContact O-CB 3.4Å; I335-A338 PolarHBondContact O-N 3.44Å; I335-L342 HydrophobicContact CB-CD2 4.14Å; I335-L342 HydrophobicContact CD1-CD1 4.04Å; I335-L342 HydrophobicContact CD1-CD2 3.96Å; I335-L342 HydrophobicContact CG1-CD2 4.44Å; I335-I349 HydrophobicContact CD1-CG2 4.39Å; I335-I349 HydrophobicContact CG2-CG2 4.08Å; I335-V350 HydrophobicContact CD1-CG2 3.76Å; I335-L353 HydrophobicContact CD1-CD1 4.04Å; I335-L353 HydrophobicContact CG1-CD1 4.14Å
336S94.4Very high95.4Very high72 Ų7232.6 Ų32.650%0.50316%0.161SC..THydrogen-bonded Turntrans-61.2134.4-176.1178.40000112.4K256 E309 A338 Q346K256-S336 VanDerWaalsContact CE-O 3.3Å; K256-S336 WeakPolarHBondContact CE-O 3.49Å; K256-S336 PolarHBondContact NZ-O 3.29Å; E309-S336 VanDerWaalsContact OE2-CA 3.29Å; E309-S336 WeakPolarHBondContact OE2-CA 3.24Å; E309-S336 PolarHBondContact OE2-OG 3.13Å; E309-S336 VanDerWaalsContact OE2-OG 3.06Å; S336-A338 PolarHBondContact O-N 3.49Å; S336-A338 VanDerWaalsContact O-N 3.12Å; S336-Q346 PolarHBondContact O-NE2 2.89Å; S336-Q346 VanDerWaalsContact O-NE2 3.14Å
337G91Very high95.4Very high16 Ų1632.3 Ų32.317%0.16516%0.159CC..THydrogen-bonded Turntrans69.9-4.4-179.900000115.3E309 I335E309-G337 PolarHBondContact OE2-N 3.43Å; I335-G337 PolarHBondContact O-N 3.29Å
338A92.8Very high95.5Very high0 Ų028.1 Ų28.10%015%0.15CC..  trans-76.5140.9-177.900000111.4G308 E309 R310 I335 S336 L342 D345 Q346G308-A338 CarbonylContact C-O 3.51Å; G308-A338 WeakPolarHBondContact CA-O 3.32Å; E309-A338 PolarHBondContact N-O 3.07Å; R310-A338 WeakPolarHBondContact CA-O 3.44Å; R310-A338 WeakPolarHBondContact CB-O 3.45Å; R310-A338 PolarHBondContact N-O 3.37Å; I335-A338 HydrophobicContact CB-CB 3.88Å; I335-A338 HydrophobicContact CG2-CB 3.67Å; I335-A338 WeakPolarHBondContact O-CB 3.4Å; I335-A338 PolarHBondContact O-N 3.44Å; S336-A338 PolarHBondContact O-N 3.49Å; S336-A338 VanDerWaalsContact O-N 3.12Å; A338-L342 HydrophobicContact CB-CD2 3.21Å; A338-D345 WeakPolarHBondContact CA-OD2 3.32Å; A338-Q346 VanDerWaalsContact CA-NE2 3.26Å; A338-Q346 HydrophobicContact CB-CG 4.45Å; A338-Q346 VanDerWaalsContact CB-NE2 3.28Å; A338-Q346 VanDerWaalsContact N-NE2 3.2Å
339S93.3Very high95.7Very high0 Ų028 Ų280%015%0.149CC..  trans-76.1-170.4175.266.50000112.1G252 W341 D345G252-S339 WeakPolarHBondContact O-CB 3.07Å; S339-W341 PolarHBondContact O-N 2.95Å; S339-W341 PolarHBondContact OG-N 3.31Å; S339-D345 PolarHBondContact N-OD2 3.2Å; S339-D345 PolarHBondContact OG-OD2 3.29Å; S339-D345 VanDerWaalsContact OG-OD2 3.07Å
340H96.1Very high95.8Very high3 Ų324.5 Ų24.51%0.01413%0.133CC..SBendtrans-62.3-28.2170.8-174.572.2000112.7H172 D173 D311 F313 L342H172-H340 AromaticContact CE1-CD2 3.72Å; H172-H340 AromaticContact CE1-NE2 3.55Å; H172-H340 AromaticContact NE2-CD2 3.64Å; H172-H340 AromaticContact NE2-CE1 3.96Å; H172-H340 AromaticContact NE2-NE2 3.5Å; H172-H340 PolarHBondContact NE2-NE2 3.46Å; H172-H340 PolarHBondContact NE2-O 2.77Å; D173-H340 IonicContact OD2-NE2 2.7Å; D311-H340 IonicContact OD1-CG 3.97Å; D311-H340 IonicContact OD1-ND1 3.77Å; D311-H340 PolarHBondContact OD1-ND1 3.41Å; D311-H340 IonicContact OD2-CE1 3.79Å; D311-H340 IonicContact OD2-CG 2.85Å; D311-H340 IonicContact OD2-ND1 2.88Å; D311-H340 PolarHBondContact OD2-ND1 2.9Å; F313-H340 HydrophobicContact CD2-CB 3.72Å; F313-H340 AromaticContact CD2-CD2 3.89Å; F313-H340 AromaticContact CD2-CG 3.55Å; F313-H340 AromaticContact CD2-ND1 3.87Å; F313-H340 HydrophobicContact CE2-CB 3.98Å; H340-L342 VanDerWaalsContact C-N 3.32Å; H340-L342 PolarHBondContact O-N 3.47Å
341W96.2Very high95.9Very high3 Ų323.5 Ų23.51%0.01113%0.129CC..  trans-92.247.3-172.4-45105.3000112.7F106 E108 H172 L245 F246 T251 I253 F313 S339 Q343 Q344 D345F106-W341 WeakPolarHBondContact O-CH2 3.35Å; E108-W341 HydrophobicContact CG-CE3 4.08Å; E108-W341 HydrophobicContact CG-CZ3 3.67Å; H172-W341 AromaticContact CE1-CE3 3.75Å; H172-W341 AromaticContact CE1-CZ3 3.9Å; L245-W341 HydrophobicContact CD1-CZ2 4.14Å; L245-W341 HydrophobicContact CD2-CH2 4.41Å; L245-W341 HydrophobicContact CD2-CZ2 4.16Å; L245-W341 HydrophobicContact CG-CZ2 3.84Å; F246-W341 HydrophobicContact CD1-CD2 4.39Å; F246-W341 HydrophobicContact CD1-CZ2 4.37Å; F246-W341 HydrophobicContact CE1-CD2 4.26Å; F246-W341 HydrophobicContact CE1-CE3 4.22Å; F246-W341 HydrophobicContact CE1-CH2 4.09Å; F246-W341 HydrophobicContact CE1-CZ2 4.11Å; F246-W341 HydrophobicContact CE1-CZ3 4.13Å; T251-W341 PolarHBondContact O-NE1 3.29Å; I253-W341 HydrophobicContact CD1-CB 3.82Å; I253-W341 HydrophobicContact CD1-CG 4Å; I253-W341 HydrophobicContact CG1-CB 3.51Å; I253-W341 HydrophobicContact CG1-CG 3.78Å; F313-W341 HydrophobicContact CE2-CZ2 4.38Å; S339-W341 PolarHBondContact O-N 2.95Å; S339-W341 PolarHBondContact OG-N 3.31Å; W341-Q343 VanDerWaalsContact C-N 3.26Å; W341-Q343 PolarHBondContact O-N 2.95Å; W341-Q343 VanDerWaalsContact O-N 3.1Å; W341-Q344 PolarHBondContact O-N 3.27Å; W341-D345 WeakPolarHBondContact O-CB 3.48Å; W341-D345 PolarHBondContact O-N 2.94Å
342L95.1Very high95.9Very high0 Ų025 Ų250%014%0.144CC..Hα-helixtrans-45-47.7-170.5-71.1-177.1000114.4L196 N197 L306 G308 I335 A338 H340 Q344 D345 Q346 V350L196-L342 HydrophobicContact CB-CD1 4.14Å; L196-L342 HydrophobicContact CD2-CB 4.11Å; L196-L342 HydrophobicContact CG-CD1 4.18Å; N197-L342 WeakPolarHBondContact OD1-CD1 3.49Å; N197-L342 WeakPolarHBondContact OD1-CG 3.35Å; L306-L342 HydrophobicContact CB-CD1 3.77Å; G308-L342 VanDerWaalsContact CA-CD2 3.48Å; I335-L342 HydrophobicContact CB-CD2 4.14Å; I335-L342 HydrophobicContact CD1-CD1 4.04Å; I335-L342 HydrophobicContact CD1-CD2 3.96Å; I335-L342 HydrophobicContact CG1-CD2 4.44Å; A338-L342 HydrophobicContact CB-CD2 3.21Å; H340-L342 VanDerWaalsContact C-N 3.32Å; H340-L342 PolarHBondContact O-N 3.47Å; L342-Q344 PolarHBondContact O-N 3.07Å; L342-Q344 VanDerWaalsContact O-N 3.15Å; L342-D345 PolarHBondContact O-N 3.18Å; L342-Q346 CarbonylContact O-C 3.37Å; L342-Q346 PolarHBondContact O-N 2.82Å; L342-V350 HydrophobicContact CB-CG2 3.93Å
343Q96.6Very high95.9Very high0 Ų024.2 Ų24.20%014%0.14CC..Hα-helixtrans-60-23.5-176.765.1-77.22.900113E108 S112 W113 Q116 H172 L196 W341 P347E108-Q343 PolarHBondContact OE1-NE2 3.38Å; E108-Q343 PolarHBondContact OE2-NE2 2.79Å; S112-Q343 WeakPolarHBondContact O-CG 3.3Å; W113-Q343 HydrophobicContact CE3-CB 3.93Å; W113-Q343 HydrophobicContact CE3-CG 4.06Å; W113-Q343 HydrophobicContact CH2-CB 4.43Å; W113-Q343 HydrophobicContact CH2-CG 4.41Å; W113-Q343 HydrophobicContact CZ3-CB 3.67Å; W113-Q343 HydrophobicContact CZ3-CG 3.98Å; Q116-Q343 PolarHBondContact NE2-O 3.2Å; Q116-Q343 VanDerWaalsContact NE2-O 3.14Å; H172-Q343 PolarHBondContact CD2-OE1 2.97Å; H172-Q343 PolarHBondContact ND1-NE2 3.48Å; L196-Q343 HydrophobicContact CD2-CB 3.76Å; W341-Q343 VanDerWaalsContact C-N 3.26Å; W341-Q343 PolarHBondContact O-N 2.95Å; W341-Q343 VanDerWaalsContact O-N 3.1Å; Q343-P347 WeakPolarHBondContact O-CB 3.43Å
344Q95.7Very high95.9Very high1 Ų122.3 Ų22.31%0.00513%0.129CC..Hα-helixtrans-105-34.7179.2-47.8-163.153.600112.7E108 R114 I253 Y268 W341 L342 P347E108-Q344 PolarHBondContact OE1-NE2 3.3Å; R114-Q344 VanDerWaalsContact NH2-OE1 3.16Å; I253-Q344 HydrophobicContact CD1-CB 3.69Å; I253-Q344 HydrophobicContact CD1-CG 4.19Å; I253-Q344 HydrophobicContact CG1-CB 4.13Å; I253-Q344 HydrophobicContact CG2-CB 4.44Å; Y268-Q344 VanDerWaalsContact OH-CD 3.23Å; Y268-Q344 PolarHBondContact OH-NE2 3.19Å; Y268-Q344 PolarHBondContact OH-OE1 3.24Å; W341-Q344 PolarHBondContact O-N 3.27Å; L342-Q344 PolarHBondContact O-N 3.07Å; L342-Q344 VanDerWaalsContact O-N 3.15Å; Q344-P347 WeakPolarHBondContact O-CD 3.34Å
345D93.3Very high96Very high4 Ų421.5 Ų21.52%0.02112%0.122CC..Hα-helixtrans-78.8-42.9-173.7-17032.4000112.5I253 G254 R255 A338 S339 W341 L342I253-D345 HydrophobicContact CG2-CB 4.4Å; G254-D345 PolarHBondContact N-OD1 3.37Å; R255-D345 PolarHBondContact N-OD1 3.25Å; A338-D345 WeakPolarHBondContact CA-OD2 3.32Å; S339-D345 PolarHBondContact N-OD2 3.2Å; S339-D345 PolarHBondContact OG-OD2 3.29Å; S339-D345 VanDerWaalsContact OG-OD2 3.07Å; W341-D345 WeakPolarHBondContact O-CB 3.48Å; W341-D345 PolarHBondContact O-N 2.94Å; L342-D345 PolarHBondContact O-N 3.18Å
346Q94.9Very high96.1Very high11 Ų1123.7 Ų23.75%0.05114%0.136CC..SBendtrans-134.658.7177.9-65.7-175.455.800111S336 A338 L342 D348 I349 V350S336-Q346 PolarHBondContact O-NE2 2.89Å; S336-Q346 VanDerWaalsContact O-NE2 3.14Å; A338-Q346 VanDerWaalsContact CA-NE2 3.26Å; A338-Q346 HydrophobicContact CB-CG 4.45Å; A338-Q346 VanDerWaalsContact CB-NE2 3.28Å; A338-Q346 VanDerWaalsContact N-NE2 3.2Å; L342-Q346 CarbonylContact O-C 3.37Å; L342-Q346 PolarHBondContact O-N 2.82Å; Q346-D348 VanDerWaalsContact C-N 3.31Å; Q346-D348 PolarHBondContact O-N 2.92Å; Q346-I349 HydrophobicContact CB-CB 4.39Å; Q346-I349 HydrophobicContact CB-CD1 4.29Å; Q346-I349 PolarHBondContact O-N 2.68Å; Q346-V350 WeakPolarHBondContact O-CG2 3.39Å; Q346-V350 PolarHBondContact O-N 3.14Å
347P96Very high96.2Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-58-40.6-172.921.3-32.6000112.8Y115 Q343 Q344 I349 V350 N351Y115-P347 HydrophobicContact CD1-CB 4.26Å; Y115-P347 HydrophobicContact CD1-CG 4.19Å; Y115-P347 HydrophobicContact CD2-CB 3.91Å; Y115-P347 HydrophobicContact CD2-CG 4.04Å; Y115-P347 HydrophobicContact CE2-CG 4.36Å; Y115-P347 HydrophobicContact CG-CB 3.65Å; Y115-P347 HydrophobicContact CG-CG 3.94Å; Q343-P347 WeakPolarHBondContact O-CB 3.43Å; Q344-P347 WeakPolarHBondContact O-CD 3.34Å; P347-I349 VanDerWaalsContact C-N 3.32Å; P347-I349 PolarHBondContact O-N 2.86Å; P347-V350 PolarHBondContact O-N 3.45Å; P347-N351 VanDerWaalsContact O-CB 3.24Å; P347-N351 WeakPolarHBondContact O-CB 3.34Å; P347-N351 PolarHBondContact O-N 3Å; P347-N351 PolarHBondContact O-OD1 3.05Å
348D96.1Very high96.5Very high93 Ų9320 Ų2050%0.49711%0.107SC..Hα-helixtrans-63.3-39.9-176.7-52.6-48.4000111.5R258 Q346 T352R258-D348 IonicContact CZ-OD2 3.64Å; R258-D348 IonicContact NE-OD2 2.73Å; R258-D348 IonicContact NH2-OD1 2.71Å; R258-D348 IonicContact NH2-OD2 3.67Å; R258-D348 PolarHBondContact NH2-OD2 3.04Å; Q346-D348 VanDerWaalsContact C-N 3.31Å; Q346-D348 PolarHBondContact O-N 2.92Å; D348-T352 WeakPolarHBondContact O-CB 3.31Å; D348-T352 PolarHBondContact O-N 3.34Å; D348-T352 PolarHBondContact O-OG1 2.99Å
349I96.9Very high96.6Very high74 Ų7426.6 Ų26.638%0.37914%0.135SC..Hα-helixtrans-71-46.1176.4-68.2164.7000110.3I335 Q346 P347 N351 T352 L353I335-I349 HydrophobicContact CD1-CG2 4.39Å; I335-I349 HydrophobicContact CG2-CG2 4.08Å; Q346-I349 HydrophobicContact CB-CB 4.39Å; Q346-I349 HydrophobicContact CB-CD1 4.29Å; Q346-I349 PolarHBondContact O-N 2.68Å; P347-I349 VanDerWaalsContact C-N 3.32Å; P347-I349 PolarHBondContact O-N 2.86Å; I349-N351 VanDerWaalsContact C-N 3.33Å; I349-N351 PolarHBondContact O-N 3.38Å; I349-T352 PolarHBondContact O-N 2.92Å; I349-L353 HydrophobicContact CG2-CD1 3.92Å; I349-L353 HydrophobicContact CG2-CG 4.42Å; I349-L353 VanDerWaalsContact O-CG 3.32Å; I349-L353 WeakPolarHBondContact O-CG 3.33Å; I349-L353 PolarHBondContact O-N 3.43Å
350V98Very high96.2Very high0 Ų030.5 Ų30.50%015%0.154CC..Hα-helixtrans-55.9-49.7176.5167.20000110.6L196 L306 I335 L342 Q346 P347 T352 L353 I354L196-V350 HydrophobicContact CD2-CG1 3.99Å; L306-V350 HydrophobicContact CD1-CB 4.41Å; L306-V350 HydrophobicContact CD1-CG1 3.91Å; L306-V350 HydrophobicContact CD1-CG2 4.38Å; I335-V350 HydrophobicContact CD1-CG2 3.76Å; L342-V350 HydrophobicContact CB-CG2 3.93Å; Q346-V350 WeakPolarHBondContact O-CG2 3.39Å; Q346-V350 PolarHBondContact O-N 3.14Å; P347-V350 PolarHBondContact O-N 3.45Å; V350-T352 PolarHBondContact O-N 3.44Å; V350-L353 PolarHBondContact O-N 2.89Å; V350-I354 HydrophobicContact CG1-CD1 3.83Å; V350-I354 WeakPolarHBondContact O-CG1 3.28Å; V350-I354 PolarHBondContact O-N 3.42Å
351N98.6Very high94.7Very high6 Ų632.3 Ų32.33%0.03217%0.173CC..Hα-helixtrans-60.6-44.8-180-70.61.1000111.6Q116 E119 F120 P347 I349 L353 I354 W355Q116-N351 WeakPolarHBondContact CG-OD1 3.42Å; Q116-N351 PolarHBondContact NE2-OD1 3.49Å; E119-N351 WeakPolarHBondContact CB-ND2 3.28Å; E119-N351 HydrophobicContact CG-CB 3.94Å; E119-N351 WeakPolarHBondContact CG-ND2 3.47Å; F120-N351 HydrophobicContact CZ-CB 4.27Å; P347-N351 VanDerWaalsContact O-CB 3.24Å; P347-N351 WeakPolarHBondContact O-CB 3.34Å; P347-N351 PolarHBondContact O-N 3Å; P347-N351 PolarHBondContact O-OD1 3.05Å; I349-N351 VanDerWaalsContact C-N 3.33Å; I349-N351 PolarHBondContact O-N 3.38Å; N351-L353 VanDerWaalsContact C-N 3.34Å; N351-L353 PolarHBondContact O-N 3.37Å; N351-I354 PolarHBondContact O-N 2.83Å; N351-W355 PolarHBondContact O-N 3.4Å
352T98.6Very high92.8Very high85 Ų8539.2 Ų39.252%0.52121%0.205SC..Hα-helixtrans-59.4-44.1176.6-60.90000111.9D348 I349 V350 W355 T356D348-T352 WeakPolarHBondContact O-CB 3.31Å; D348-T352 PolarHBondContact O-N 3.34Å; D348-T352 PolarHBondContact O-OG1 2.99Å; I349-T352 PolarHBondContact O-N 2.92Å; V350-T352 PolarHBondContact O-N 3.44Å; T352-W355 PolarHBondContact O-N 2.93Å; T352-T356 PolarHBondContact O-N 2.92Å; T352-T356 PolarHBondContact O-OG1 3.42Å
353L98.6Very high90.3Very high25 Ų2541.7 Ų41.713%0.13123%0.231CC..Hα-helixtrans-67.6-39.8179.4-69.2171.7000111.8L306 N333 I335 I349 V350 N351 T356 F357L306-L353 HydrophobicContact CD2-CB 4.01Å; L306-L353 HydrophobicContact CD2-CD1 3.82Å; N333-L353 HydrophobicContact CB-CD1 3.93Å; N333-L353 HydrophobicContact CB-CD2 4.4Å; I335-L353 HydrophobicContact CD1-CD1 4.04Å; I335-L353 HydrophobicContact CG1-CD1 4.14Å; I349-L353 HydrophobicContact CG2-CD1 3.92Å; I349-L353 HydrophobicContact CG2-CG 4.42Å; I349-L353 VanDerWaalsContact O-CG 3.32Å; I349-L353 WeakPolarHBondContact O-CG 3.33Å; I349-L353 PolarHBondContact O-N 3.43Å; V350-L353 PolarHBondContact O-N 2.89Å; N351-L353 VanDerWaalsContact C-N 3.34Å; N351-L353 PolarHBondContact O-N 3.37Å; L353-T356 PolarHBondContact O-N 3.27Å; L353-F357 PolarHBondContact O-N 2.86Å
354I98.6Very high87.8Confident0 Ų051.9 Ų51.90%027%0.27CS..Hα-helixtrans-60-52.1172.9-69.6173.2000109.9F120 I194 L304 L306 V350 N351 T356 F357 L358F120-I354 HydrophobicContact CE1-CB 4.25Å; F120-I354 HydrophobicContact CE1-CG2 3.54Å; F120-I354 HydrophobicContact CE2-CB 4.48Å; F120-I354 HydrophobicContact CE2-CD1 4.2Å; F120-I354 HydrophobicContact CE2-CG2 4.09Å; F120-I354 HydrophobicContact CZ-CB 3.67Å; F120-I354 HydrophobicContact CZ-CD1 4.22Å; F120-I354 HydrophobicContact CZ-CG2 3.32Å; I194-I354 HydrophobicContact CD1-CB 4.44Å; I194-I354 HydrophobicContact CD1-CG1 4.21Å; I194-I354 HydrophobicContact CD1-CG2 3.69Å; I194-I354 HydrophobicContact CG2-CD1 4.22Å; I194-I354 HydrophobicContact CG2-CG1 4.03Å; L304-I354 HydrophobicContact CD2-CG1 4.13Å; L306-I354 HydrophobicContact CD1-CG1 4.29Å; V350-I354 HydrophobicContact CG1-CD1 3.83Å; V350-I354 WeakPolarHBondContact O-CG1 3.28Å; V350-I354 PolarHBondContact O-N 3.42Å; N351-I354 PolarHBondContact O-N 2.83Å; I354-T356 VanDerWaalsContact C-N 3.28Å; I354-T356 PolarHBondContact O-N 2.89Å; I354-F357 PolarHBondContact O-N 3.45Å; I354-F357 VanDerWaalsContact O-N 3.12Å; I354-L358 HydrophobicContact CG2-CD1 3.69Å; I354-L358 HydrophobicContact CG2-CG 4.07Å; I354-L358 VanDerWaalsContact O-CG 3.26Å; I354-L358 WeakPolarHBondContact O-CG 3.45Å; I354-L358 PolarHBondContact O-N 3.26Å
355W98.4Very high85.1Confident50 Ų5060.7 Ų60.719%0.18931%0.308CS..Hα-helixtrans-55.7-42.8177.1-83.5127.2000113.1E119 F120 E123 F124 N351 T352 F357 L358 K359E119-W355 PolarHBondContact OE1-NE1 3.14Å; F120-W355 HydrophobicContact CD1-CD2 4.11Å; F120-W355 AromaticContact CD1-CE2 3.57Å; F120-W355 HydrophobicContact CD1-CE3 4.46Å; F120-W355 AromaticContact CD1-CH2 3.78Å; F120-W355 HydrophobicContact CD1-CH2 3.78Å; F120-W355 AromaticContact CD1-CZ2 3.39Å; F120-W355 HydrophobicContact CD1-CZ2 3.39Å; F120-W355 HydrophobicContact CD1-CZ3 4.3Å; F120-W355 AromaticContact CE1-CD1 3.85Å; F120-W355 AromaticContact CE1-CD2 3.61Å; F120-W355 HydrophobicContact CE1-CD2 3.61Å; F120-W355 AromaticContact CE1-CE2 3.34Å; F120-W355 HydrophobicContact CE1-CE3 4.21Å; F120-W355 AromaticContact CE1-CG 3.92Å; F120-W355 HydrophobicContact CE1-CG 3.92Å; F120-W355 HydrophobicContact CE1-CH2 4.28Å; F120-W355 AromaticContact CE1-CZ2 3.73Å; F120-W355 HydrophobicContact CE1-CZ2 3.73Å; F120-W355 AromaticContact CE1-NE1 3.53Å; F120-W355 HydrophobicContact CG-CZ2 4.42Å; E123-W355 HydrophobicContact CB-CH2 3.8Å; E123-W355 HydrophobicContact CB-CZ3 4.34Å; E123-W355 HydrophobicContact CG-CH2 3.51Å; E123-W355 HydrophobicContact CG-CZ2 4.48Å; E123-W355 HydrophobicContact CG-CZ3 4.09Å; F124-W355 HydrophobicContact CD2-CH2 4.38Å; F124-W355 HydrophobicContact CE2-CH2 4.06Å; F124-W355 AromaticContact CE2-CZ3 3.93Å; F124-W355 HydrophobicContact CE2-CZ3 3.93Å; N351-W355 PolarHBondContact O-N 3.4Å; T352-W355 PolarHBondContact O-N 2.93Å; W355-F357 VanDerWaalsContact C-N 3.35Å; W355-F357 PolarHBondContact O-N 3.46Å; W355-L358 HydrophobicContact CE3-CD1 3.85Å; W355-L358 HydrophobicContact CZ3-CD1 4.06Å; W355-L358 PolarHBondContact O-N 2.91Å; W355-K359 WeakPolarHBondContact O-CG 3.46Å; W355-K359 PolarHBondContact O-N 2.94Å; W355-K359 VanDerWaalsContact O-N 3.13Å
356T98.2Very high82.4Confident54 Ų5465.2 Ų65.233%0.33134%0.34SS..Hα-helixtrans-59.7-48.3177.9-52.50000110.3T352 L353 I354 L358 K359 E360T352-T356 PolarHBondContact O-N 2.92Å; T352-T356 PolarHBondContact O-OG1 3.42Å; L353-T356 PolarHBondContact O-N 3.27Å; I354-T356 VanDerWaalsContact C-N 3.28Å; I354-T356 PolarHBondContact O-N 2.89Å; T356-L358 PolarHBondContact O-N 2.92Å; T356-K359 PolarHBondContact O-N 3.47Å; T356-E360 WeakPolarHBondContact O-CG 3.47Å; T356-E360 PolarHBondContact O-N 3.37Å
357F98Very high79.8Confident0 Ų074.8 Ų74.80%038%0.377CS..Hα-helixtrans-66.4-35.3178172.1-109.8000113.9K192 I194 P302 V303 L304 H329 R331 L353 I354 W355 K359 E360K192-F357 HydrophobicContact CB-CE1 3.89Å; K192-F357 HydrophobicContact CB-CZ 4.41Å; K192-F357 HydrophobicContact CD-CD1 4.26Å; K192-F357 HydrophobicContact CD-CE1 3.85Å; K192-F357 HydrophobicContact CD-CZ 4.39Å; K192-F357 HydrophobicContact CG-CE1 3.99Å; K192-F357 HydrophobicContact CG-CZ 4.26Å; K192-F357 PolarHBondContact NZ-O 2.97Å; I194-F357 HydrophobicContact CD1-CD1 4.24Å; I194-F357 HydrophobicContact CD1-CE1 4.48Å; I194-F357 HydrophobicContact CG1-CD1 4.04Å; I194-F357 HydrophobicContact CG1-CE1 3.92Å; P302-F357 HydrophobicContact CB-CE2 4.23Å; P302-F357 HydrophobicContact CB-CZ 3.9Å; V303-F357 VanDerWaalsContact C-CZ 3.48Å; L304-F357 HydrophobicContact CB-CB 4.24Å; L304-F357 HydrophobicContact CB-CD1 3.58Å; L304-F357 HydrophobicContact CB-CD2 3.91Å; L304-F357 HydrophobicContact CB-CE1 3.74Å; L304-F357 HydrophobicContact CB-CE2 4.06Å; L304-F357 HydrophobicContact CB-CG 3.65Å; L304-F357 HydrophobicContact CB-CZ 3.99Å; L304-F357 HydrophobicContact CD1-CB 4.44Å; L304-F357 HydrophobicContact CD2-CB 3.75Å; L304-F357 HydrophobicContact CD2-CD1 4.11Å; L304-F357 HydrophobicContact CD2-CG 4.05Å; L304-F357 HydrophobicContact CG-CB 4.37Å; L304-F357 HydrophobicContact CG-CD1 4.45Å; L304-F357 HydrophobicContact CG-CG 4.31Å; H329-F357 AromaticContact CD2-CE2 3.78Å; R331-F357 HydrophobicContact CB-CD2 4.43Å; L353-F357 PolarHBondContact O-N 2.86Å; I354-F357 PolarHBondContact O-N 3.45Å; I354-F357 VanDerWaalsContact O-N 3.12Å; W355-F357 VanDerWaalsContact C-N 3.35Å; W355-F357 PolarHBondContact O-N 3.46Å; F357-K359 VanDerWaalsContact C-N 3.33Å; F357-E360 PolarHBondContact O-N 3.09Å
358L96.9Very high76.9Confident12 Ų1285.5 Ų85.56%0.06342%0.417CS..Hα-helixtrans-60.8-45176.3-69.7172.5000110.4M100 F120 F124 K192 I194 I354 W355 T356 E360M100-L358 HydrophobicContact CE-CD1 3.7Å; M100-L358 HydrophobicContact CE-CD2 4.24Å; F120-L358 HydrophobicContact CD1-CD1 4.31Å; F120-L358 HydrophobicContact CE1-CD1 4.09Å; F124-L358 HydrophobicContact CE2-CD1 3.8Å; F124-L358 HydrophobicContact CZ-CD1 3.88Å; F124-L358 HydrophobicContact CZ-CD2 4.18Å; K192-L358 HydrophobicContact CD-CD2 3.69Å; K192-L358 WeakPolarHBondContact CE-O 3.32Å; K192-L358 PolarHBondContact NZ-O 3.35Å; I194-L358 HydrophobicContact CD1-CD2 4.45Å; I354-L358 HydrophobicContact CG2-CD1 3.69Å; I354-L358 HydrophobicContact CG2-CG 4.07Å; I354-L358 VanDerWaalsContact O-CG 3.26Å; I354-L358 WeakPolarHBondContact O-CG 3.45Å; I354-L358 PolarHBondContact O-N 3.26Å; W355-L358 HydrophobicContact CE3-CD1 3.85Å; W355-L358 HydrophobicContact CZ3-CD1 4.06Å; W355-L358 PolarHBondContact O-N 2.91Å; T356-L358 PolarHBondContact O-N 2.92Å; L358-E360 VanDerWaalsContact C-N 3.35Å; L358-E360 PolarHBondContact O-N 3.16Å
359K94.3Very high74Confident137 Ų13792.7 Ų92.760%0.59646%0.456SS*.Hα-helixtrans-68.9-25-179.8-68.4175.1-177.3-179.20114.4W355 T356 F357 G361 E362W355-K359 WeakPolarHBondContact O-CG 3.46Å; W355-K359 PolarHBondContact O-N 2.94Å; W355-K359 VanDerWaalsContact O-N 3.13Å; T356-K359 PolarHBondContact O-N 3.47Å; F357-K359 VanDerWaalsContact C-N 3.33Å; K359-G361 PolarHBondContact O-N 3.38Å; K359-E362 PolarHBondContact O-N 2.96Å
360E85.4Confident72.9Confident83 Ų8393.6 Ų93.639%0.38846%0.459SS..THydrogen-bonded Turntrans-64.6-2.1-175.8-81.6174.9169.700116H329 R331 T356 F357 L358H329-E360 IonicContact NE2-OE2 3.77Å; H329-E360 PolarHBondContact NE2-OE2 3.47Å; R331-E360 IonicContact CZ-OE1 2.8Å; R331-E360 IonicContact NH1-OE1 3.75Å; R331-E360 PolarHBondContact NH1-OE1 3.39Å; R331-E360 IonicContact NH1-OE2 3.27Å; R331-E360 PolarHBondContact NH1-OE2 3.17Å; R331-E360 VanDerWaalsContact NH1-OE2 3.11Å; T356-E360 WeakPolarHBondContact O-CG 3.47Å; T356-E360 PolarHBondContact O-N 3.37Å; F357-E360 PolarHBondContact O-N 3.09Å; L358-E360 VanDerWaalsContact C-N 3.35Å; L358-E360 PolarHBondContact O-N 3.16Å
361G63.3Low71.6Confident40 Ų4098.5 Ų98.541%0.41248%0.484SS..THydrogen-bonded Turntrans-112.3-13.5177.400000115.7K359K359-G361 PolarHBondContact O-N 3.38Å
362E57.7Low70Confident148 Ų148103.7 Ų103.769%0.69251%0.509SS*.THydrogen-bonded Turntrans-84.3-32.5-169.7-66.4179.3166.700112.2K359 R364K359-E362 PolarHBondContact O-N 2.96Å; E362-R364 PolarHBondContact O-N 3.45Å
363G41.5Very low68.4Low53 Ų53104.8 Ų104.855%0.54651%0.508SS..G310 helixtrans-73.4-17-17800000116.1K365G363-K365 VanDerWaalsContact C-N 3.33Å; G363-K365 PolarHBondContact O-N 2.99Å
364R44.2Very low66.5Low214 Ų214109.8 Ų109.881%0.80853%0.532SS*.G310 helixtrans-79.2-10.5-177.6-86.6-177.9175.8160.90.2114.5E362E362-R364 PolarHBondContact O-N 3.45Å
365K39.8Very low64.3Low185 Ų185117.1 Ų117.180%0.80457%0.567SS**G310 helixtrans-84.1-13.9176.2-73.6-174.1178.61800113.8G363 Y367G363-K365 VanDerWaalsContact C-N 3.33Å; G363-K365 PolarHBondContact O-N 2.99Å; K365-Y367 PolarHBondContact O-N 3.3Å
366S35.4Very low61.9Low99 Ų99121.9 Ų121.969%0.69259%0.594SS**THydrogen-bonded Turntrans-83.9-4.9-173.7-167.50000115.5
367Y40.5Very low59.1Low213 Ų213127.1 Ų127.184%0.83561%0.614SS**THydrogen-bonded Turntrans-119.321.9-176.2-72.4-79.1000114K365K365-Y367 PolarHBondContact O-N 3.3Å
368R36Very low55.9Low225 Ų225137.7 Ų137.785%0.84967%0.665SS**  trans-124.777169-75.6-174.4175.1-175.6-2.1109.1
369N35.4Very low52.1Low243 Ų243149.1 Ų149.1100%1.29972%0.72SS**  trans-136.60152.5-88.1-17000107.4

Retrieved 369 of 369 residues in 238 ms (Link to these results)

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