A0A087XGK5_POEFO Loading...

Carbohydrate sulfotransferase

AlphaFold DB , UniProt , Accession A0A087XGK5, Species POEFO (Poecilia formosa, Amazon molly), Gene CHST12, Length 415 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
1M50.5Low67.2Low252 Ų252129.4 Ų129.4100%1.24164%0.644SS**  053.90-68.716282.700111.8
2G55.3Low68.7Low48 Ų48127.1 Ų127.150%0.49564%0.642SS.*  trans-123.5-18.6-173.200000116.2
3T55.7Low69.9Low127 Ų127125.4 Ų125.478%0.77964%0.635SS**Hα-helixtrans-80.7-35.1-17245.60000113.6R5 F7T3-R5 VanDerWaalsContact C-N 3.33Å; T3-R5 PolarHBondContact O-N 3.16Å; T3-F7 PolarHBondContact O-N 3.27Å
4S61Low71Confident74 Ų74118.8 Ų118.852%0.51761%0.614SS.*Hα-helixtrans-67.3-31.5179.9177.40000113.3R8S4-R8 WeakPolarHBondContact O-CG 3.23Å; S4-R8 PolarHBondContact O-N 2.79Å
5R65.8Low71.9Confident201 Ų201114.9 Ų114.976%0.75860%0.601SS**Hα-helixtrans-77.2-38.5-177.7-153.2173.2174.2-175.3-3.1111.9T3 R8 I9T3-R5 VanDerWaalsContact C-N 3.33Å; T3-R5 PolarHBondContact O-N 3.16Å; R5-R8 PolarHBondContact O-N 2.97Å; R5-I9 WeakPolarHBondContact O-CD1 3.48Å; R5-I9 WeakPolarHBondContact O-CG1 3.46Å; R5-I9 PolarHBondContact O-N 3.37Å
6M66.2Low72.8Confident106 Ų106111.1 Ų111.152%0.52259%0.591SS.*Hα-helixtrans-65.9-43173.3-77.8-67.9-8600111.7R8 I9 F10M6-R8 VanDerWaalsContact C-N 3.33Å; M6-R8 PolarHBondContact O-N 3.19Å; M6-I9 PolarHBondContact O-N 2.75Å; M6-I9 VanDerWaalsContact O-N 3.14Å; M6-F10 HydrophobicContact CE-CE2 3.86Å; M6-F10 HydrophobicContact CE-CZ 4.49Å; M6-F10 WeakPolarHBondContact O-CD2 3.45Å; M6-F10 PolarHBondContact O-N 3.16Å
7F72.7Confident73.7Confident146 Ų146111.6 Ų111.664%0.6459%0.588SS**Hα-helixtrans-59.9-42.3177.2-174.6-101.2000112.4T3 I9 F10 V11T3-F7 PolarHBondContact O-N 3.27Å; F7-I9 VanDerWaalsContact C-N 3.34Å; F7-I9 PolarHBondContact O-N 3.15Å; F7-F10 PolarHBondContact O-N 2.79Å; F7-V11 HydrophobicContact CD1-CG2 4.21Å; F7-V11 HydrophobicContact CE1-CG2 3.85Å; F7-V11 HydrophobicContact CE2-CG2 4.49Å; F7-V11 HydrophobicContact CZ-CG2 4.01Å; F7-V11 WeakPolarHBondContact O-CG2 3.41Å; F7-V11 PolarHBondContact O-N 3.4Å
8R71.6Confident74.4Confident180 Ų180111.9 Ų111.968%0.67959%0.587SS**Hα-helixtrans-61.9-39.7175-73.8-179.7-178.8-167.9-0.1112.6S4 R5 M6 V11 V12S4-R8 WeakPolarHBondContact O-CG 3.23Å; S4-R8 PolarHBondContact O-N 2.79Å; R5-R8 PolarHBondContact O-N 2.97Å; M6-R8 VanDerWaalsContact C-N 3.33Å; M6-R8 PolarHBondContact O-N 3.19Å; R8-V11 PolarHBondContact O-N 3.01Å; R8-V12 VanDerWaalsContact O-CG2 3.24Å; R8-V12 WeakPolarHBondContact O-CG2 3.32Å; R8-V12 PolarHBondContact O-N 2.71Å
9I78.2Confident74.9Confident83 Ų83111.2 Ų111.243%0.42658%0.582SS.*Hα-helixtrans-65-43.3177.3-68.9162.5000110.9R5 M6 F7 V11 V12 L13R5-I9 WeakPolarHBondContact O-CD1 3.48Å; R5-I9 WeakPolarHBondContact O-CG1 3.46Å; R5-I9 PolarHBondContact O-N 3.37Å; M6-I9 PolarHBondContact O-N 2.75Å; M6-I9 VanDerWaalsContact O-N 3.14Å; F7-I9 VanDerWaalsContact C-N 3.34Å; F7-I9 PolarHBondContact O-N 3.15Å; I9-V11 PolarHBondContact O-N 3.34Å; I9-V12 PolarHBondContact O-N 3.27Å; I9-L13 HydrophobicContact CG2-CD1 3.68Å; I9-L13 HydrophobicContact CG2-CG 4.34Å; I9-L13 WeakPolarHBondContact O-CB 3.23Å; I9-L13 WeakPolarHBondContact O-CG 3.45Å; I9-L13 PolarHBondContact O-N 3.38Å
10F78.8Confident75.1Confident135 Ų135110.4 Ų110.459%0.59258%0.578SS**Hα-helixtrans-64.9-38.5177.3-82-71.1000113.1M6 F7 G14M6-F10 HydrophobicContact CE-CE2 3.86Å; M6-F10 HydrophobicContact CE-CZ 4.49Å; M6-F10 WeakPolarHBondContact O-CD2 3.45Å; M6-F10 PolarHBondContact O-N 3.16Å; F7-F10 PolarHBondContact O-N 2.79Å; F10-G14 PolarHBondContact O-N 3.35Å
11V82.9Confident75.1Confident71 Ų71108.8 Ų108.843%0.4357%0.57SS.*Hα-helixtrans-65.6-41.2175.6172.80000111.1F7 R8 I9 S15F7-V11 HydrophobicContact CD1-CG2 4.21Å; F7-V11 HydrophobicContact CE1-CG2 3.85Å; F7-V11 HydrophobicContact CE2-CG2 4.49Å; F7-V11 HydrophobicContact CZ-CG2 4.01Å; F7-V11 WeakPolarHBondContact O-CG2 3.41Å; F7-V11 PolarHBondContact O-N 3.4Å; R8-V11 PolarHBondContact O-N 3.01Å; I9-V11 PolarHBondContact O-N 3.34Å; V11-S15 VanDerWaalsContact O-CB 3.3Å; V11-S15 WeakPolarHBondContact O-CB 3.48Å; V11-S15 PolarHBondContact O-N 3.02Å; V11-S15 PolarHBondContact O-OG 3.43Å
12V85.6Confident76.2Confident102 Ų102101.2 Ų101.262%0.61853%0.534SS*.Hα-helixtrans-66.9-46.1177.71730000111.3R8 I9 S15 A16R8-V12 VanDerWaalsContact O-CG2 3.24Å; R8-V12 WeakPolarHBondContact O-CG2 3.32Å; R8-V12 PolarHBondContact O-N 2.71Å; I9-V12 PolarHBondContact O-N 3.27Å; V12-S15 PolarHBondContact O-N 2.87Å; V12-A16 WeakPolarHBondContact O-CB 3.28Å; V12-A16 PolarHBondContact O-N 2.81Å
13L84.3Confident77Confident105 Ų105103.6 Ų103.655%0.5553%0.534SS..Hα-helixtrans-65.1-41.5177.5-75.1169.5000112.1I9 S15 A16 F17I9-L13 HydrophobicContact CG2-CD1 3.68Å; I9-L13 HydrophobicContact CG2-CG 4.34Å; I9-L13 WeakPolarHBondContact O-CB 3.23Å; I9-L13 WeakPolarHBondContact O-CG 3.45Å; I9-L13 PolarHBondContact O-N 3.38Å; L13-S15 VanDerWaalsContact C-N 3.35Å; L13-A16 PolarHBondContact O-N 3.1Å; L13-F17 VanDerWaalsContact O-CB 3.31Å; L13-F17 WeakPolarHBondContact O-CB 3.37Å; L13-F17 PolarHBondContact O-N 2.75Å
14G85.8Confident77.6Confident33 Ų33101.9 Ų101.934%0.3452%0.519SS..Hα-helixtrans-63.6-40.317500000112.2F10 F17 M18F10-G14 PolarHBondContact O-N 3.35Å; G14-F17 PolarHBondContact O-N 2.85Å; G14-M18 WeakPolarHBondContact O-CB 3.06Å; G14-M18 VanDerWaalsContact O-CG 3.26Å; G14-M18 WeakPolarHBondContact O-CG 3.46Å; G14-M18 PolarHBondContact O-N 2.93Å
15S84.4Confident78Confident61 Ų61105.2 Ų105.243%0.42752%0.521SS..Hα-helixtrans-66.8-43.6176.3-57.10000111.6V11 V12 L13 F17 M18 I19V11-S15 VanDerWaalsContact O-CB 3.3Å; V11-S15 WeakPolarHBondContact O-CB 3.48Å; V11-S15 PolarHBondContact O-N 3.02Å; V11-S15 PolarHBondContact O-OG 3.43Å; V12-S15 PolarHBondContact O-N 2.87Å; L13-S15 VanDerWaalsContact C-N 3.35Å; S15-F17 VanDerWaalsContact C-N 3.34Å; S15-F17 PolarHBondContact O-N 2.87Å; S15-M18 PolarHBondContact O-N 3.34Å; S15-I19 WeakPolarHBondContact O-CB 3.23Å; S15-I19 VanDerWaalsContact O-CG1 3.25Å; S15-I19 WeakPolarHBondContact O-CG1 3.09Å; S15-I19 PolarHBondContact O-N 3.48Å
16A85.8Confident77.2Confident54 Ų54103.3 Ų103.345%0.44651%0.514SS..Hα-helixtrans-63.1-4017600000112V12 L13 I19 L20V12-A16 WeakPolarHBondContact O-CB 3.28Å; V12-A16 PolarHBondContact O-N 2.81Å; L13-A16 PolarHBondContact O-N 3.1Å; A16-I19 PolarHBondContact O-N 2.7Å; A16-L20 WeakPolarHBondContact O-CB 3.44Å; A16-L20 PolarHBondContact O-N 3.21Å
17F88.1Confident76.4Confident120 Ų120104.4 Ų104.453%0.52652%0.522SS..Hα-helixtrans-65.8-42.5175.7-176.8-104.2000112.3L13 G14 S15 L20 L21L13-F17 VanDerWaalsContact O-CB 3.31Å; L13-F17 WeakPolarHBondContact O-CB 3.37Å; L13-F17 PolarHBondContact O-N 2.75Å; G14-F17 PolarHBondContact O-N 2.85Å; S15-F17 VanDerWaalsContact C-N 3.34Å; S15-F17 PolarHBondContact O-N 2.87Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 3.25Å; F17-L21 HydrophobicContact CD1-CD1 3.9Å; F17-L21 HydrophobicContact CD1-CG 4.43Å; F17-L21 HydrophobicContact CE1-CD1 3.44Å; F17-L21 VanDerWaalsContact CE1-CD1 3.44Å; F17-L21 HydrophobicContact CE1-CG 4.11Å; F17-L21 HydrophobicContact CZ-CD1 3.96Å; F17-L21 HydrophobicContact CZ-CD2 4.43Å; F17-L21 HydrophobicContact CZ-CG 4.25Å; F17-L21 WeakPolarHBondContact O-CG 3.3Å; F17-L21 PolarHBondContact O-N 3.11Å
18M86.7Confident75.2Confident116 Ų116103.9 Ų103.957%0.57153%0.526SS*.Hα-helixtrans-65.8-38.4175.5-70.4-64.3-81.800112G14 S15 L21 I22G14-M18 WeakPolarHBondContact O-CB 3.06Å; G14-M18 VanDerWaalsContact O-CG 3.26Å; G14-M18 WeakPolarHBondContact O-CG 3.46Å; G14-M18 PolarHBondContact O-N 2.93Å; S15-M18 PolarHBondContact O-N 3.34Å; M18-L21 PolarHBondContact O-N 2.78Å; M18-L21 HydrophobicContact SD-CD1 4.26Å; M18-I22 WeakPolarHBondContact O-CB 3.47Å; M18-I22 WeakPolarHBondContact O-CG1 3.21Å; M18-I22 PolarHBondContact O-N 2.76Å
19I83.6Confident74.3Confident98 Ų9898.8 Ų98.850%0.50352%0.515SS..Hα-helixtrans-63.8-42173.2-69.3164.8000110.6S15 A16 L21 I22 I23S15-I19 WeakPolarHBondContact O-CB 3.23Å; S15-I19 VanDerWaalsContact O-CG1 3.25Å; S15-I19 WeakPolarHBondContact O-CG1 3.09Å; S15-I19 PolarHBondContact O-N 3.48Å; A16-I19 PolarHBondContact O-N 2.7Å; I19-L21 PolarHBondContact O-N 2.85Å; I19-I22 PolarHBondContact O-N 2.78Å; I19-I23 HydrophobicContact CG2-CD1 3.77Å; I19-I23 HydrophobicContact CG2-CG1 4.36Å; I19-I23 VanDerWaalsContact O-CG1 3.27Å; I19-I23 WeakPolarHBondContact O-CG1 3.06Å; I19-I23 PolarHBondContact O-N 3.07Å
20L78.6Confident72.2Confident95 Ų9597 Ų9750%0.49752%0.516SS..Hα-helixtrans-61.3-43.2175.3-166.788.5000111.5A16 F17 I22 I23 I24A16-L20 WeakPolarHBondContact O-CB 3.44Å; A16-L20 PolarHBondContact O-N 3.21Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 3.25Å; L20-I22 VanDerWaalsContact C-N 3.35Å; L20-I23 PolarHBondContact O-N 2.75Å; L20-I24 HydrophobicContact CD2-CD1 4.1Å; L20-I24 HydrophobicContact CG-CD1 4.02Å; L20-I24 WeakPolarHBondContact O-CB 3.29Å; L20-I24 VanDerWaalsContact O-CG1 3.28Å; L20-I24 WeakPolarHBondContact O-CG1 3.49Å; L20-I24 PolarHBondContact O-N 3.49Å
21L74.6Confident70Confident78 Ų7895.7 Ų95.741%0.40853%0.53SS..Hα-helixtrans-64.9-38.1175.7-73.6177.8000112.3F17 M18 I19 Y25F17-L21 HydrophobicContact CD1-CD1 3.9Å; F17-L21 HydrophobicContact CD1-CG 4.43Å; F17-L21 HydrophobicContact CE1-CD1 3.44Å; F17-L21 VanDerWaalsContact CE1-CD1 3.44Å; F17-L21 HydrophobicContact CE1-CG 4.11Å; F17-L21 HydrophobicContact CZ-CD1 3.96Å; F17-L21 HydrophobicContact CZ-CD2 4.43Å; F17-L21 HydrophobicContact CZ-CG 4.25Å; F17-L21 WeakPolarHBondContact O-CG 3.3Å; F17-L21 PolarHBondContact O-N 3.11Å; M18-L21 PolarHBondContact O-N 2.78Å; M18-L21 HydrophobicContact SD-CD1 4.26Å; I19-L21 PolarHBondContact O-N 2.85Å; L21-Y25 WeakPolarHBondContact O-CB 3.46Å; L21-Y25 PolarHBondContact O-N 3.45Å
22I75Confident67.6Low93 Ų9396.5 Ų96.548%0.47755%0.545SS..Hα-helixtrans-64.9-44.7173.2-69.7165.1000109.6M18 I19 L20 Y25 W26M18-I22 WeakPolarHBondContact O-CB 3.47Å; M18-I22 WeakPolarHBondContact O-CG1 3.21Å; M18-I22 PolarHBondContact O-N 2.76Å; I19-I22 PolarHBondContact O-N 2.78Å; L20-I22 VanDerWaalsContact C-N 3.35Å; I22-Y25 PolarHBondContact O-N 3.49Å; I22-W26 VanDerWaalsContact O-CB 3.27Å; I22-W26 WeakPolarHBondContact O-CB 3.45Å; I22-W26 PolarHBondContact O-N 3.06Å
23I72.2Confident65.3Low98 Ų9899.8 Ų99.850%0.50355%0.553SS.*Hα-helixtrans-61.6-48.9177-68.6165.8000110.2I19 L20 Y25 W26 D27I19-I23 HydrophobicContact CG2-CD1 3.77Å; I19-I23 HydrophobicContact CG2-CG1 4.36Å; I19-I23 VanDerWaalsContact O-CG1 3.27Å; I19-I23 WeakPolarHBondContact O-CG1 3.06Å; I19-I23 PolarHBondContact O-N 3.07Å; L20-I23 PolarHBondContact O-N 2.75Å; I23-Y25 VanDerWaalsContact C-N 3.34Å; I23-Y25 PolarHBondContact O-N 3.1Å; I23-W26 CarbonylContact O-C 3.41Å; I23-W26 PolarHBondContact O-N 3.44Å; I23-W26 VanDerWaalsContact O-N 3.17Å; I23-D27 WeakPolarHBondContact O-CB 3.05Å; I23-D27 PolarHBondContact O-N 3.36Å
24I66.8Low62.9Low91 Ų91101.1 Ų101.147%0.46756%0.56SS.*Hα-helixtrans-60.6-43.8177.8-68.6165.8000111.1L20 W26 D27 D28L20-I24 HydrophobicContact CD2-CD1 4.1Å; L20-I24 HydrophobicContact CG-CD1 4.02Å; L20-I24 WeakPolarHBondContact O-CB 3.29Å; L20-I24 VanDerWaalsContact O-CG1 3.28Å; L20-I24 WeakPolarHBondContact O-CG1 3.49Å; L20-I24 PolarHBondContact O-N 3.49Å; I24-W26 VanDerWaalsContact C-N 3.34Å; I24-W26 PolarHBondContact O-N 2.74Å; I24-D27 PolarHBondContact O-N 2.99Å; I24-D28 PolarHBondContact O-N 3.16Å; I24-D28 VanDerWaalsContact O-N 3.09Å
25Y70.1Confident60.2Low143 Ų143110 Ų11056%0.56159%0.585SS**Hα-helixtrans-63.1-39.4176.1178.6-96.9000112.2L21 I22 I23 V29L21-Y25 WeakPolarHBondContact O-CB 3.46Å; L21-Y25 PolarHBondContact O-N 3.45Å; I22-Y25 PolarHBondContact O-N 3.49Å; I23-Y25 VanDerWaalsContact C-N 3.34Å; I23-Y25 PolarHBondContact O-N 3.1Å; Y25-V29 HydrophobicContact CE1-CG2 4.35Å; Y25-V29 WeakPolarHBondContact O-CG2 3.15Å; Y25-V29 PolarHBondContact O-N 2.92Å
26W49.8Very low57.6Low162 Ų162114.9 Ų114.961%0.61461%0.605SS**Hα-helixtrans-81.7-26.3-179.9-82.782.4000113.5I22 I23 I24 D28 V29 G30I22-W26 VanDerWaalsContact O-CB 3.27Å; I22-W26 WeakPolarHBondContact O-CB 3.45Å; I22-W26 PolarHBondContact O-N 3.06Å; I23-W26 CarbonylContact O-C 3.41Å; I23-W26 PolarHBondContact O-N 3.44Å; I23-W26 VanDerWaalsContact O-N 3.17Å; I24-W26 VanDerWaalsContact C-N 3.34Å; I24-W26 PolarHBondContact O-N 2.74Å; W26-D28 VanDerWaalsContact C-N 3.31Å; W26-V29 CarbonylContact O-C 3.54Å; W26-V29 WeakPolarHBondContact O-CA 3.36Å; W26-V29 PolarHBondContact O-N 3.37Å; W26-G30 VanDerWaalsContact O-CA 3.27Å; W26-G30 WeakPolarHBondContact O-CA 3.25Å; W26-G30 PolarHBondContact O-N 3.43Å
27D49.4Very low55Low129 Ų129120.6 Ų120.669%0.6962%0.622SS**Hα-helixtrans-71.2-31.4172.1-150.439.6000110.3I23 I24 V29I23-D27 WeakPolarHBondContact O-CB 3.05Å; I23-D27 PolarHBondContact O-N 3.36Å; I24-D27 PolarHBondContact O-N 2.99Å; D27-V29 VanDerWaalsContact C-N 3.28Å; D27-V29 PolarHBondContact O-N 2.97Å
28D47.6Very low52.1Low134 Ų134121 Ų12172%0.71764%0.635SS**THydrogen-bonded Turntrans-70.7-20.1166.1-99.6-15.6000113.5I24 W26I24-D28 PolarHBondContact O-N 3.16Å; I24-D28 VanDerWaalsContact O-N 3.09Å; W26-D28 VanDerWaalsContact C-N 3.31Å
29V51.9Low49.5Very low74 Ų74121.6 Ų121.645%0.44865%0.647SS.*THydrogen-bonded Turntrans-103.7-15.2-178.11730000112.7Y25 W26 D27Y25-V29 HydrophobicContact CE1-CG2 4.35Å; Y25-V29 WeakPolarHBondContact O-CG2 3.15Å; Y25-V29 PolarHBondContact O-N 2.92Å; W26-V29 CarbonylContact O-C 3.54Å; W26-V29 WeakPolarHBondContact O-CA 3.36Å; W26-V29 PolarHBondContact O-N 3.37Å; D27-V29 VanDerWaalsContact C-N 3.28Å; D27-V29 PolarHBondContact O-N 2.97Å
30G33.9Very low46.9Very low44 Ų44123.8 Ų123.845%0.45467%0.665SS.*  trans-130.678.7-156.800000115.8W26W26-G30 VanDerWaalsContact O-CA 3.27Å; W26-G30 WeakPolarHBondContact O-CA 3.25Å; W26-G30 PolarHBondContact O-N 3.43Å
31A33Very low44.7Very low108 Ų108124.4 Ų124.489%0.89368%0.677SS**  trans-136.261.6148.200000109.7
32A32Very low42.7Very low88 Ų88126.5 Ų126.573%0.72770%0.696SS**  trans-146.490.8164.300000107.8L34A32-L34 PolarHBondContact O-N 2.98Å
33H38.5Very low40.6Very low171 Ų171125.2 Ų125.279%0.79271%0.705SS**  trans-68123.1172.3-92.9-76.9000110.6
34L32.1Very low38.7Very low134 Ų134126.8 Ų126.870%0.70272%0.722SS**  47.596.6129.9-62.3164.8000117.7A32A32-L34 PolarHBondContact O-N 2.98Å
35Y29.9Very low37.1Very low220 Ų220132.3 Ų132.386%0.86374%0.742SS**  trans-118.4120.1136.8-81-83.7000108.7
36L30.8Very low35.4Very low163 Ų163131.7 Ų131.785%0.85375%0.753SS**  trans-64.5124.1173.9-88.6138.9000109.9
37H30.9Very low34.6Very low174 Ų174129.6 Ų129.681%0.80676%0.76SS**  trans-125.1136.5153-78.1-72.4000109.9
38T27.7Very low34Very low128 Ų128132.3 Ų132.379%0.78577%0.769SS**PPolyproline II helixtrans-56152.4-174.137.80000115
39P31.5Very low33.5Very low129 Ų129131.4 Ų131.484%0.83877%0.77SS**PPolyproline II helixtrans-83.3132-173.932.9-32.1000112.5
40V29.5Very low32.8Very low143 Ų143133.5 Ų133.587%0.86779%0.785SS**PPolyproline II helixtrans-92131.3160.6176.10000108.1
41S30.6Very low32.8Very low108 Ų108137.6 Ų137.676%0.75580%0.804SS**PPolyproline II helixtrans-66.3151.5-174.7-145.70000113.5
42P33.7Very low32.8Very low123 Ų123141.2 Ų141.280%0.79980%0.802SS**PPolyproline II helixtrans-90.3128.5-178.733.1-28000112.8
43G30.6Very low32.9Very low66 Ų66143.1 Ų143.168%0.6881%0.807SS**PPolyproline II helixtrans-76.4170166.800000113.5
44P32.5Very low32.5Very low130 Ų130146.3 Ų146.384%0.84481%0.812SS**PPolyproline II helixtrans-80.8148.8-153.51.513.7000114.9
45K32.6Very low32.5Very low208 Ų208145.7 Ų145.790%0.90482%0.816SS**PPolyproline II helixtrans-76135.1174.5-64177.6177.9177.30111.2
46V34.6Very low32.6Very low130 Ų130144.3 Ų144.379%0.78882%0.817SS**  trans-104.7139.8167-1780000109.1
47P33.6Very low32.5Very low118 Ų118143.2 Ų143.277%0.76682%0.817SS**PPolyproline II helixtrans-83.2143.2-174.3-2.621.5000113
48H35.7Very low32.7Very low186 Ų186142 Ų14286%0.86182%0.822SS**PPolyproline II helixtrans-80142.6168.8-73.1-64.4000112
49P37.7Very low32.9Very low114 Ų114147.4 Ų147.474%0.7483%0.828SS**PPolyproline II helixtrans-83.3161.1169.328.8-24.7000113
50P37.4Very low33.1Very low118 Ų118147.4 Ų147.477%0.76683%0.826SS**PPolyproline II helixtrans-80.3161.6-163.730.8-31.7000114.3
51P34Very low33.7Very low131 Ų131146.5 Ų146.585%0.85182%0.823SS**PPolyproline II helixtrans-83.9138.5-169.531.8-30.2000112.9
52Q32.9Very low34.4Very low184 Ų184144.3 Ų144.386%0.8681%0.808SS**PPolyproline II helixtrans-97.7153.2165.9-78.9-167.7-5.400111.8
53P33.1Very low35Very low128 Ų128145.3 Ų145.383%0.83180%0.8SS**PPolyproline II helixtrans-82.5142-168.821.9-12.6000113.3
54R31.8Very low35.5Very low237 Ų237148.3 Ų148.389%0.89480%0.8SS**PPolyproline II helixtrans-91.3145.1172-71.9-177-179.2-175.7-0.3111.3
55P30.6Very low36.1Very low122 Ų122145.3 Ų145.379%0.79278%0.782SS**PPolyproline II helixtrans-79.1144.4164.1-0.117.6000111.4
56H32.5Very low36.7Very low191 Ų191139.6 Ų139.688%0.88476%0.761SS**PPolyproline II helixtrans-65.7129.9173.5-71.5-82.7000111.9
57T30Very low37.5Very low139 Ų139135.5 Ų135.585%0.85373%0.734SS**  trans-136.5132.7148.341.80000109.9
58T34.6Very low38.1Very low148 Ų148133.8 Ų133.891%0.90872%0.719SS**  trans-73.9123.2-176.3-21.60000109.9
59R31.3Very low38.6Very low242 Ų242127.5 Ų127.591%0.91370%0.699SS**  trans-153.5124.5160-129.9174.4179.6167.9-1.1111.3
60T35.5Very low39.1Very low129 Ų129128 Ų12879%0.79169%0.69SS**  trans-67.1166167.625.90000111.3
61P42.6Very low39.6Very low124 Ų124123.7 Ų123.781%0.80566%0.661SS**  trans-89.7114.7-133.533.7-33.8000114.3
62S45.1Very low40.2Very low62 Ų62120.9 Ų120.943%0.43464%0.639SS.*  trans-99.62.1168.169.30000113.9L64 S65 D66S62-L64 PolarHBondContact O-N 3.31Å; S62-L64 VanDerWaalsContact O-N 3.09Å; S62-S65 PolarHBondContact O-N 3.34Å; S62-S65 PolarHBondContact O-OG 3.23Å; S62-D66 VanDerWaalsContact O-CG 3.24Å; S62-D66 PolarHBondContact O-N 3.29Å; S62-D66 VanDerWaalsContact O-OD2 3.12Å; S62-D66 PolarHBondContact OG-OD2 3.27Å
63F47Very low40.7Very low144 Ų144119.5 Ų119.563%0.63263%0.633SS**Hα-helixtrans-60-31.4-169.4-172.1-110.2000113.9I67F63-I67 HydrophobicContact CD1-CD1 3.62Å; F63-I67 HydrophobicContact CE1-CD1 3.29Å; F63-I67 HydrophobicContact CE1-CG1 4.39Å; F63-I67 HydrophobicContact CE2-CD1 4.37Å; F63-I67 HydrophobicContact CG-CD1 4.31Å; F63-I67 HydrophobicContact CZ-CD1 3.71Å; F63-I67 HydrophobicContact CZ-CG1 4.44Å; F63-I67 WeakPolarHBondContact O-CD1 3.43Å; F63-I67 VanDerWaalsContact O-CG1 3.23Å; F63-I67 WeakPolarHBondContact O-CG1 3.5Å; F63-I67 PolarHBondContact O-N 3.29Å; F63-I67 VanDerWaalsContact O-N 3.17Å
64L40.2Very low41.2Very low129 Ų129120.7 Ų120.768%0.67563%0.625SS**Hα-helixtrans-76.7-35.6177.6-65.7176.6000112.8S62 D66 I67 D68S62-L64 PolarHBondContact O-N 3.31Å; S62-L64 VanDerWaalsContact O-N 3.09Å; L64-D66 VanDerWaalsContact C-N 3.32Å; L64-I67 PolarHBondContact O-N 3.42Å; L64-D68 PolarHBondContact O-N 3.14Å
65S45.5Very low41.7Very low67 Ų67113.4 Ų113.447%0.46960%0.604SS.*Hα-helixtrans-69.3-34.7174.759.70000111.5S62 I67 D68 A69S62-S65 PolarHBondContact O-N 3.34Å; S62-S65 PolarHBondContact O-OG 3.23Å; S65-I67 VanDerWaalsContact C-N 3.34Å; S65-D68 PolarHBondContact O-N 3.43Å; S65-A69 VanDerWaalsContact O-CB 3.31Å; S65-A69 WeakPolarHBondContact O-CB 3.36Å; S65-A69 PolarHBondContact O-N 2.98Å
66D44.3Very low41.8Very low89 Ų89114.7 Ų114.748%0.47660%0.599SS.*Hα-helixtrans-71.5-31.2178.5-60.1-27.3000111.2S62 L64 F70S62-D66 VanDerWaalsContact O-CG 3.24Å; S62-D66 PolarHBondContact O-N 3.29Å; S62-D66 VanDerWaalsContact O-OD2 3.12Å; S62-D66 PolarHBondContact OG-OD2 3.27Å; L64-D66 VanDerWaalsContact C-N 3.32Å; D66-F70 VanDerWaalsContact O-CB 3.26Å; D66-F70 WeakPolarHBondContact O-CB 3.26Å; D66-F70 PolarHBondContact O-N 3.16Å
67I52.5Low42Very low43 Ų43109.8 Ų109.822%0.22158%0.584CS.*Hα-helixtrans-72.3-44.2171.3-71.5167.3000111.5F63 L64 S65 A69 F70 V71F63-I67 HydrophobicContact CD1-CD1 3.62Å; F63-I67 HydrophobicContact CE1-CD1 3.29Å; F63-I67 HydrophobicContact CE1-CG1 4.39Å; F63-I67 HydrophobicContact CE2-CD1 4.37Å; F63-I67 HydrophobicContact CG-CD1 4.31Å; F63-I67 HydrophobicContact CZ-CD1 3.71Å; F63-I67 HydrophobicContact CZ-CG1 4.44Å; F63-I67 WeakPolarHBondContact O-CD1 3.43Å; F63-I67 VanDerWaalsContact O-CG1 3.23Å; F63-I67 WeakPolarHBondContact O-CG1 3.5Å; F63-I67 PolarHBondContact O-N 3.29Å; F63-I67 VanDerWaalsContact O-N 3.17Å; L64-I67 PolarHBondContact O-N 3.42Å; S65-I67 VanDerWaalsContact C-N 3.34Å; I67-A69 VanDerWaalsContact C-N 3.27Å; I67-A69 PolarHBondContact O-N 2.86Å; I67-F70 PolarHBondContact O-N 3.33Å; I67-V71 HydrophobicContact CG2-CG2 4.19Å; I67-V71 WeakPolarHBondContact O-CB 3.36Å; I67-V71 VanDerWaalsContact O-CG2 3.29Å; I67-V71 WeakPolarHBondContact O-CG2 3.46Å; I67-V71 PolarHBondContact O-N 3.2Å
68D45.3Very low42.1Very low82 Ų82107.3 Ų107.344%0.43959%0.586SS.*Hα-helixtrans-61.9-39.5176.4-81.2-17.4000110.7L64 S65 N72L64-D68 PolarHBondContact O-N 3.14Å; S65-D68 PolarHBondContact O-N 3.43Å; D68-N72 WeakPolarHBondContact O-CB 3.48Å; D68-N72 PolarHBondContact O-N 2.67Å; D68-N72 PolarHBondContact O-ND2 3.26Å
69A46.7Very low42.1Very low55 Ų55107.1 Ų107.146%0.45559%0.585SS.*Hα-helixtrans-64.1-46.2173.200000112.3S65 I67 V71 N72 Q73S65-A69 VanDerWaalsContact O-CB 3.31Å; S65-A69 WeakPolarHBondContact O-CB 3.36Å; S65-A69 PolarHBondContact O-N 2.98Å; I67-A69 VanDerWaalsContact C-N 3.27Å; I67-A69 PolarHBondContact O-N 2.86Å; A69-V71 PolarHBondContact O-N 3.19Å; A69-N72 PolarHBondContact O-N 3.21Å; A69-Q73 WeakPolarHBondContact O-CB 3.48Å; A69-Q73 PolarHBondContact O-N 3.12Å
70F48.2Very low42Very low123 Ų12399 Ų9954%0.53958%0.577SS.*Hα-helixtrans-61.6-44.3177.1-178.5-101.9000111.9D66 I67 Q73 F74D66-F70 VanDerWaalsContact O-CB 3.26Å; D66-F70 WeakPolarHBondContact O-CB 3.26Å; D66-F70 PolarHBondContact O-N 3.16Å; I67-F70 PolarHBondContact O-N 3.33Å; F70-Q73 WeakPolarHBondContact O-CB 3.39Å; F70-Q73 PolarHBondContact O-N 3.29Å; F70-F74 HydrophobicContact CD1-CE2 4.33Å; F70-F74 HydrophobicContact CD2-CE2 4.33Å; F70-F74 HydrophobicContact CE1-CD2 4.29Å; F70-F74 AromaticContact CE1-CE2 3.79Å; F70-F74 HydrophobicContact CE1-CE2 3.79Å; F70-F74 AromaticContact CE2-CE2 3.79Å; F70-F74 HydrophobicContact CE2-CE2 3.79Å; F70-F74 HydrophobicContact CZ-CD2 4.41Å; F70-F74 AromaticContact CZ-CE2 3.5Å; F70-F74 HydrophobicContact CZ-CE2 3.5Å; F70-F74 HydrophobicContact CZ-CZ 4.26Å; F70-F74 VanDerWaalsContact O-CD2 3.31Å; F70-F74 WeakPolarHBondContact O-CD2 3.46Å; F70-F74 PolarHBondContact O-N 2.96Å
71V48.9Very low41.6Very low28 Ų28102.1 Ų102.117%0.1758%0.582CS.*Hα-helixtrans-69.5-34.5178172.40000111.5I67 A69 Q73 F74 L75 V234I67-V71 HydrophobicContact CG2-CG2 4.19Å; I67-V71 WeakPolarHBondContact O-CB 3.36Å; I67-V71 VanDerWaalsContact O-CG2 3.29Å; I67-V71 WeakPolarHBondContact O-CG2 3.46Å; I67-V71 PolarHBondContact O-N 3.2Å; A69-V71 PolarHBondContact O-N 3.19Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-F74 PolarHBondContact O-N 3.3Å; V71-L75 HydrophobicContact CG1-CD1 3.81Å; V71-L75 WeakPolarHBondContact O-CD1 3.43Å; V71-L75 VanDerWaalsContact O-CG 3.32Å; V71-L75 WeakPolarHBondContact O-CG 3.4Å; V71-V234 HydrophobicContact CG1-CG1 4.23Å
72N45.6Very low41.2Very low72 Ų72101.9 Ų101.939%0.38558%0.581SS.*Hα-helixtrans-70.4-30.4174.3-71.6-26000112.4D68 A69 F74 L75 E76 K238D68-N72 WeakPolarHBondContact O-CB 3.48Å; D68-N72 PolarHBondContact O-N 2.67Å; D68-N72 PolarHBondContact O-ND2 3.26Å; A69-N72 PolarHBondContact O-N 3.21Å; N72-F74 PolarHBondContact O-N 3.41Å; N72-L75 PolarHBondContact O-N 3.28Å; N72-E76 PolarHBondContact O-N 3.06Å; N72-K238 PolarHBondContact OD1-NZ 3.38Å
73Q43.5Very low40.4Very low156 Ų156105.2 Ų105.273%0.72960%0.599SS**Hα-helixtrans-65.5-25.3174.5-164.9171.910.100113.1A69 F70 V71A69-Q73 WeakPolarHBondContact O-CB 3.48Å; A69-Q73 PolarHBondContact O-N 3.12Å; F70-Q73 WeakPolarHBondContact O-CB 3.39Å; F70-Q73 PolarHBondContact O-N 3.29Å; V71-Q73 VanDerWaalsContact C-N 3.34Å
74F42.8Very low39.4Very low153 Ų153105.1 Ų105.167%0.67161%0.605SS**THydrogen-bonded Turntrans-85.2-5.6171.8-79.5-81.9000114.1F70 V71 N72F70-F74 HydrophobicContact CD1-CE2 4.33Å; F70-F74 HydrophobicContact CD2-CE2 4.33Å; F70-F74 HydrophobicContact CE1-CD2 4.29Å; F70-F74 AromaticContact CE1-CE2 3.79Å; F70-F74 HydrophobicContact CE1-CE2 3.79Å; F70-F74 AromaticContact CE2-CE2 3.79Å; F70-F74 HydrophobicContact CE2-CE2 3.79Å; F70-F74 HydrophobicContact CZ-CD2 4.41Å; F70-F74 AromaticContact CZ-CE2 3.5Å; F70-F74 HydrophobicContact CZ-CE2 3.5Å; F70-F74 HydrophobicContact CZ-CZ 4.26Å; F70-F74 VanDerWaalsContact O-CD2 3.31Å; F70-F74 WeakPolarHBondContact O-CD2 3.46Å; F70-F74 PolarHBondContact O-N 2.96Å; V71-F74 PolarHBondContact O-N 3.3Å; N72-F74 PolarHBondContact O-N 3.41Å
75L42.1Very low38.8Very low83 Ų83105.4 Ų105.444%0.43561%0.612SS.*THydrogen-bonded Turntrans-126.8-8.1-167.5-66.5173.1000115.1V71 N72 K238V71-L75 HydrophobicContact CG1-CD1 3.81Å; V71-L75 WeakPolarHBondContact O-CD1 3.43Å; V71-L75 VanDerWaalsContact O-CG 3.32Å; V71-L75 WeakPolarHBondContact O-CG 3.4Å; N72-L75 PolarHBondContact O-N 3.28Å; L75-K238 HydrophobicContact CD1-CD 3.74Å
76E34.7Very low38Very low150 Ų150107.9 Ų107.970%0.70162%0.624SS**SBendtrans-108.8148.5175.6-74.8-76.2146.900112.4N72N72-E76 PolarHBondContact O-N 3.06Å
77P35.6Very low37.3Very low88 Ų88109.8 Ų109.857%0.57164%0.642SS**  trans-82129.2-171.7141.9000111.9T79P77-T79 PolarHBondContact O-N 3.4Å; P77-T79 VanDerWaalsContact O-N 3.11Å
78G33Very low36.3Very low86 Ų86113.8 Ų113.889%0.88767%0.668SS**  trans-67.5106.1170.500000111.3
79T34.4Very low35.4Very low144 Ų144117.2 Ų117.288%0.88369%0.686SS**  trans-92.9106.4159.349.50000108.5P77P77-T79 PolarHBondContact O-N 3.4Å; P77-T79 VanDerWaalsContact O-N 3.11Å
80G29.1Very low34.7Very low73 Ų73118.9 Ų118.975%0.75369%0.694SS**  trans-171.4105.817000000109.3
81E26.4Very low33.7Very low193 Ų193118.3 Ų118.390%0.90271%0.705SS**  trans-66.9153.5168.7-89.5-177.9148.700111.2
82P33.8Very low32.7Very low120 Ų120124.4 Ų124.478%0.77974%0.737SS**  trans-98139.1-165.735.7-27.9000112.6
83T28.5Very low32Very low131 Ų131130.8 Ų130.880%0.80477%0.765SS**  trans-129.6113.2158.638.40000110.7
84D26.9Very low31.3Very low142 Ų142128.5 Ų128.576%0.75977%0.766SS**  trans72.7118.5142.7-67.1-25.1000124
85T27.8Very low31Very low135 Ų135130.4 Ų130.483%0.82878%0.777SS**  trans85.1114.9137.553.70000120.8
86V28.9Very low30.3Very low120 Ų120135 Ų13573%0.72779%0.794SS**  trans-68.1151.1167.1175.80000110.6V88V86-V88 HydrophobicContact CG1-CG2 4.01Å
87P28.5Very low30.2Very low129 Ų129133.3 Ų133.384%0.83880%0.798SS**  -126.3143.812011.48.3000113.2
88V31.6Very low30Very low127 Ų127137.6 Ų137.677%0.7781%0.81SS**  trans-67.9134.1-180173.10000110.1V86V86-V88 HydrophobicContact CG1-CG2 4.01Å
89D26.8Very low30Very low154 Ų154142 Ų14282%0.82481%0.808SS**  trans-141.2136.2144.1-153.5-1.4000111.2
90S30.9Very low29.9Very low89 Ų89145.4 Ų145.462%0.62280%0.804SS**  trans-91.4132.2-170.8500000111.2
91S29Very low30.3Very low111 Ų111151.2 Ų151.278%0.77681%0.805SS**  trans156.1149.1134.253.30000112.8
92N27.8Very low30.9Very low157 Ų157144.6 Ų144.684%0.8478%0.778SS**  trans83.176.3174.4-61.5-18.2000117.5S94N92-S94 PolarHBondContact O-N 3.01Å; N92-S94 VanDerWaalsContact O-N 3.15Å
93Q29.6Very low31.2Very low206 Ų206143.2 Ų143.296%0.96377%0.769SS**  trans-66.9100.8152.2-73.8178300109.1
94S28.8Very low32Very low107 Ų107145.3 Ų145.375%0.74876%0.762SS**  trans-104.7117.8152.1174.10000105.6N92 K96N92-S94 PolarHBondContact O-N 3.01Å; N92-S94 VanDerWaalsContact O-N 3.15Å; S94-K96 PolarHBondContact O-N 3.38Å
95E36.4Very low33Very low194 Ų194146 Ų14691%0.90775%0.754SS**  trans-6182.6176.7-71.6179.6147.700110
96K28.5Very low34.2Very low180 Ų180148.1 Ų148.178%0.78375%0.754SS**  trans-79.9116.5162.5-156.8173.5-174.7-177.20105S94 E98S94-K96 PolarHBondContact O-N 3.38Å; K96-E98 PolarHBondContact O-N 3.47Å
97S32.3Very low35.5Very low113 Ų113145.5 Ų145.579%0.7973%0.731SS**  trans-5594.7168.155.90000108E99S97-E99 PolarHBondContact O-N 3.39Å; S97-E99 VanDerWaalsContact O-N 3.07Å
98E31.4Very low37.2Very low179 Ų179143.3 Ų143.384%0.83671%0.709SS**  trans-57.2114.7170.5-71.3-177151.800106.1K96 R100K96-E98 PolarHBondContact O-N 3.47Å; E98-R100 PolarHBondContact O-N 3.33Å
99E32.5Very low38.9Very low178 Ų178143.6 Ų143.683%0.83271%0.705SS**  trans-55.996.8157.6-80.4-177.515300105.2S97 Y101S97-E99 PolarHBondContact O-N 3.39Å; S97-E99 VanDerWaalsContact O-N 3.07Å; E99-Y101 VanDerWaalsContact C-N 3.31Å; E99-Y101 PolarHBondContact O-N 3.34Å
100R32.1Very low41Very low215 Ų215138.8 Ų138.881%0.81168%0.677SS**  trans-56.599.6178.9-173.5-179.1-69.5176.8-2.1106.4E98 V102E98-R100 PolarHBondContact O-N 3.33Å; R100-V102 VanDerWaalsContact C-N 3.28Å; R100-V102 PolarHBondContact O-N 3.2Å
101Y37.4Very low42.9Very low195 Ų195142.3 Ų142.377%0.76569%0.688SS**  trans-56.699.7165.4177.1-96.5000105.6E99 P103E99-Y101 VanDerWaalsContact C-N 3.31Å; E99-Y101 PolarHBondContact O-N 3.34Å; Y101-P103 VanDerWaalsContact O-CD 3.23Å; Y101-P103 WeakPolarHBondContact O-CD 3.29Å
102V39.5Very low45.2Very low54 Ų54141.2 Ų141.233%0.32768%0.677SS.*  trans-74.9114.7173.2177.60000104.9R100 R104 R163R100-V102 VanDerWaalsContact C-N 3.28Å; R100-V102 PolarHBondContact O-N 3.2Å; V102-R104 PolarHBondContact O-N 2.91Å; V102-R163 VanDerWaalsContact CG2-NH2 3.33Å
103P39.3Very low47.6Very low92 Ų92138.8 Ų138.860%0.59767%0.67SS**  trans-52.2132.6174.2-22.633.8000108.1Y101 R105Y101-P103 VanDerWaalsContact O-CD 3.23Å; Y101-P103 WeakPolarHBondContact O-CD 3.29Å; P103-R105 VanDerWaalsContact C-N 3.35Å; P103-R105 PolarHBondContact O-N 2.99Å
104R45.6Very low50.2Low175 Ų175130.5 Ų130.566%0.6663%0.633SS**  trans-39.198.4171.9-118.5178.5173.3-179.6-0108V102 E106V102-R104 PolarHBondContact O-N 2.91Å; R104-E106 PolarHBondContact O-N 3.45Å
105R48.5Very low53.1Low155 Ų155128.1 Ų128.159%0.58562%0.62SS**  trans-54.1133.2175.7-83.5-178.6175.5179.3-0.9106.7P103 W107 R198P103-R105 VanDerWaalsContact C-N 3.35Å; P103-R105 PolarHBondContact O-N 2.99Å; R105-W107 PolarHBondContact O-N 3.25Å; R105-R198 VanDerWaalsContact NH1-NH2 3.18Å
106E52Low55.7Low180 Ų180122.1 Ų122.184%0.84160%0.604SS**  trans-38.6101-176.4-64.5171.6171.200110.8R104 K108R104-E106 PolarHBondContact O-N 3.45Å; E106-K108 PolarHBondContact O-N 2.85Å; E106-K108 VanDerWaalsContact O-N 3.16Å
107W56.1Low58.9Low65 Ų65119.6 Ų119.625%0.24660%0.595CS.*  trans-57.5123.5174.1-67.897.8000107.4R105 I109 H164 L357 R358 V359R105-W107 PolarHBondContact O-N 3.25Å; W107-I109 PolarHBondContact O-N 3.49Å; W107-I109 VanDerWaalsContact O-N 3.1Å; W107-H164 HydrophobicContact CH2-CB 4.04Å; W107-L357 WeakPolarHBondContact CZ3-O 3.22Å; W107-R358 HydrophobicContact CB-CB 4.45Å; W107-R358 HydrophobicContact CD2-CB 4.39Å; W107-R358 HydrophobicContact CE3-CB 3.47Å; W107-R358 VanDerWaalsContact CE3-CB 3.47Å; W107-R358 HydrophobicContact CE3-CG 4.48Å; W107-R358 HydrophobicContact CZ3-CB 4.07Å; W107-V359 HydrophobicContact CZ3-CG1 4.22Å
108K65.6Low61.8Low84 Ų84115.6 Ų115.637%0.36556%0.564SS.*  trans-58.1121.7178.6-177.1167.7168.4-165.30109.1E106 H110 D360 N361E106-K108 PolarHBondContact O-N 2.85Å; E106-K108 VanDerWaalsContact O-N 3.16Å; K108-H110 PolarHBondContact O-N 2.96Å; K108-D360 IonicContact NZ-OD2 3.51Å; K108-D360 PolarHBondContact NZ-OD2 3.34Å; K108-N361 HydrophobicContact CB-CB 4.48Å; K108-N361 HydrophobicContact CD-CB 3.93Å
109I67.5Low64.8Low132 Ų132113.5 Ų113.568%0.67755%0.548SS*.  trans-81.9110.3172.3-59.8176000106.6W107 L111W107-I109 PolarHBondContact O-N 3.49Å; W107-I109 VanDerWaalsContact O-N 3.1Å; I109-L111 HydrophobicContact CG2-CD2 4.25Å; I109-L111 PolarHBondContact O-N 3.3Å
110H70.2Confident67.8Low53 Ų53111.7 Ų111.725%0.24554%0.54CS..  trans-78109.5172.5-73.8-64.9000109.8K108 D360K108-H110 PolarHBondContact O-N 2.96Å; H110-D360 IonicContact CD2-OD1 2.73Å; H110-D360 VanDerWaalsContact CE1-CG 3.44Å; H110-D360 IonicContact CE1-OD1 3.65Å; H110-D360 PolarHBondContact CE1-OD1 2.75Å; H110-D360 VanDerWaalsContact CE1-OD1 3.27Å; H110-D360 IonicContact CE1-OD2 2.73Å; H110-D360 PolarHBondContact CE1-OD2 2.9Å; H110-D360 VanDerWaalsContact NE2-CG 3.34Å; H110-D360 IonicContact NE2-OD1 3.68Å; H110-D360 PolarHBondContact NE2-OD1 2.89Å; H110-D360 IonicContact NE2-OD2 3.35Å; H110-D360 PolarHBondContact NE2-OD2 2.92Å
111L70.4Confident70.9Confident164 Ų164103.8 Ų103.886%0.85951%0.51SS*.  trans-80.2-25173.1-63174.1000111.7I109I109-L111 HydrophobicContact CG2-CD2 4.25Å; I109-L111 PolarHBondContact O-N 3.3Å
112T76.6Confident73.8Confident87 Ų8795 Ų9553%0.53448%0.476SS..SBendtrans-88.312617652.20000110.4
113P79.8Confident76.5Confident107 Ų10797.2 Ų97.270%0.69548%0.483SS*.PPolyproline II helixtrans-68.9145.7177.628.5-33.2000110.8A115P113-A115 PolarHBondContact O-N 2.84Å
114V84.1Confident79.3Confident32 Ų32100.6 Ų100.619%0.19449%0.488CS..PPolyproline II helixtrans-59138.1167.1179.40000109.1A116 L118 R119 H352V114-A116 PolarHBondContact O-N 2.99Å; V114-L118 HydrophobicContact CG1-CB 3.99Å; V114-L118 HydrophobicContact CG1-CD1 4.25Å; V114-R119 HydrophobicContact CB-CG 4.22Å; V114-R119 HydrophobicContact CG1-CG 4.06Å; V114-R119 PolarHBondContact O-NE 3.5Å; V114-R119 PolarHBondContact O-NH2 3.48Å; V114-H352 VanDerWaalsContact CG1-CD2 3.5Å; V114-H352 WeakPolarHBondContact CG1-CD2 3.44Å
115A89.4Confident81.8Confident57 Ų5794 Ų9447%0.47146%0.463SS..PPolyproline II helixtrans-47.7134.8175.700000111.2P113 E117 L118 R119P113-A115 PolarHBondContact O-N 2.84Å; A115-E117 PolarHBondContact O-N 3.46Å; A115-L118 HydrophobicContact CB-CD1 4.15Å; A115-L118 HydrophobicContact CB-CG 4.17Å; A115-L118 PolarHBondContact O-N 2.92Å; A115-R119 PolarHBondContact O-N 3.4Å
116A91.8Very high84.2Confident68 Ų6890.4 Ų90.456%0.56245%0.45SS*.Hα-helixtrans-58.3-39.5-17600000111.8V114 L118 R119 E120V114-A116 PolarHBondContact O-N 2.99Å; A116-L118 PolarHBondContact O-N 3.35Å; A116-R119 WeakPolarHBondContact O-CB 3.32Å; A116-R119 PolarHBondContact O-N 3.29Å; A116-R119 VanDerWaalsContact O-N 3.16Å; A116-E120 PolarHBondContact O-N 3.3Å
117E93.8Very high86.4Confident127 Ų12788.1 Ų88.159%0.59343%0.433SS*.Hα-helixtrans-58.7-43.4178-167.7-163.9143.100112.7A115 R119 E120 R121A115-E117 PolarHBondContact O-N 3.46Å; E117-R119 VanDerWaalsContact C-N 3.3Å; E117-R119 PolarHBondContact O-N 2.85Å; E117-E120 PolarHBondContact O-N 3.41Å; E117-R121 VanDerWaalsContact O-CB 3.28Å; E117-R121 WeakPolarHBondContact O-CB 3.45Å; E117-R121 PolarHBondContact O-N 2.98Å; E117-R121 IonicContact OE1-CZ 3.63Å; E117-R121 IonicContact OE1-NH2 2.71Å; E117-R121 PolarHBondContact OE1-NH2 2.91Å
118L93.9Very high88.4Confident29 Ų2987.4 Ų87.415%0.15243%0.434CS..Hα-helixtrans-65.9-34.7179-64.4178.2000111.8V114 A115 A116 Q122 E348 H352V114-L118 HydrophobicContact CG1-CB 3.99Å; V114-L118 HydrophobicContact CG1-CD1 4.25Å; A115-L118 HydrophobicContact CB-CD1 4.15Å; A115-L118 HydrophobicContact CB-CG 4.17Å; A115-L118 PolarHBondContact O-N 2.92Å; A116-L118 PolarHBondContact O-N 3.35Å; L118-Q122 WeakPolarHBondContact O-CG 3.33Å; L118-Q122 PolarHBondContact O-N 2.92Å; L118-E348 HydrophobicContact CD2-CB 4.25Å; L118-H352 HydrophobicContact CD1-CB 4.3Å; L118-H352 PolarHBondContact O-CE1 2.87Å; L118-H352 VanDerWaalsContact O-CE1 3.31Å
119R93.8Very high89.9Confident134 Ų13483.8 Ų83.851%0.50642%0.419SS..Hα-helixtrans-69.8-46.5175.2-72.3-175.1-83.8159-6.1111.5V114 A115 A116 E117 R121 Q122 E123V114-R119 HydrophobicContact CB-CG 4.22Å; V114-R119 HydrophobicContact CG1-CG 4.06Å; V114-R119 PolarHBondContact O-NE 3.5Å; V114-R119 PolarHBondContact O-NH2 3.48Å; A115-R119 PolarHBondContact O-N 3.4Å; A116-R119 WeakPolarHBondContact O-CB 3.32Å; A116-R119 PolarHBondContact O-N 3.29Å; A116-R119 VanDerWaalsContact O-N 3.16Å; E117-R119 VanDerWaalsContact C-N 3.3Å; E117-R119 PolarHBondContact O-N 2.85Å; R119-R121 PolarHBondContact O-N 3.12Å; R119-Q122 PolarHBondContact O-N 3.45Å; R119-E123 PolarHBondContact O-N 3.44Å
120E96.7Very high91.4Very high140 Ų14081.8 Ų81.865%0.65441%0.407SS*.Hα-helixtrans-61.2-43.9177.4-174.9-179.8178.200111.5A116 E117 Q122 E123 K124A116-E120 PolarHBondContact O-N 3.3Å; E117-E120 PolarHBondContact O-N 3.41Å; E120-Q122 VanDerWaalsContact C-N 3.33Å; E120-Q122 PolarHBondContact O-N 3.01Å; E120-E123 PolarHBondContact O-N 3.14Å; E120-K124 WeakPolarHBondContact O-CB 3.37Å; E120-K124 PolarHBondContact O-N 2.86Å
121R97.1Very high92.7Very high50 Ų5084.5 Ų84.519%0.18942%0.419CS..Hα-helixtrans-56-46.1175.4-171.5-172.6-58.6166.1-2.6111.8E117 R119 K124 R125 E348E117-R121 VanDerWaalsContact O-CB 3.28Å; E117-R121 WeakPolarHBondContact O-CB 3.45Å; E117-R121 PolarHBondContact O-N 2.98Å; E117-R121 IonicContact OE1-CZ 3.63Å; E117-R121 IonicContact OE1-NH2 2.71Å; E117-R121 PolarHBondContact OE1-NH2 2.91Å; R119-R121 PolarHBondContact O-N 3.12Å; R121-K124 PolarHBondContact O-N 3.03Å; R121-R125 WeakPolarHBondContact O-CG 3.12Å; R121-R125 PolarHBondContact O-N 3.22Å; R121-R125 VanDerWaalsContact O-N 3.08Å; R121-E348 IonicContact CZ-OE2 3.89Å; R121-E348 IonicContact NH1-OE2 3.25Å; R121-E348 PolarHBondContact NH1-OE2 3.5Å; R121-E348 IonicContact NH2-OE2 2.94Å; R121-E348 PolarHBondContact NH2-OE2 3.32Å
122Q97.5Very high93.9Very high9 Ų977.4 Ų77.44%0.04238%0.383CS..Hα-helixtrans-71.1-36.8178.8-72.7-62.1-35.600112.5L118 R119 E120 R125 R126 F339 V340 D349L118-Q122 WeakPolarHBondContact O-CG 3.33Å; L118-Q122 PolarHBondContact O-N 2.92Å; R119-Q122 PolarHBondContact O-N 3.45Å; E120-Q122 VanDerWaalsContact C-N 3.33Å; E120-Q122 PolarHBondContact O-N 3.01Å; Q122-R125 VanDerWaalsContact NE2-NH1 3.13Å; Q122-R125 PolarHBondContact O-N 2.96Å; Q122-R126 WeakPolarHBondContact O-CB 3.12Å; Q122-R126 VanDerWaalsContact O-CG 3.28Å; Q122-R126 WeakPolarHBondContact O-CG 3.43Å; Q122-R126 PolarHBondContact O-N 3.15Å; Q122-F339 VanDerWaalsContact CD-CZ 3.48Å; Q122-F339 HydrophobicContact CG-CD2 3.9Å; Q122-F339 HydrophobicContact CG-CE2 3.51Å; Q122-F339 HydrophobicContact CG-CZ 4.02Å; Q122-F339 VanDerWaalsContact NE2-CZ 3.26Å; Q122-V340 PolarHBondContact NE2-O 3.4Å; Q122-V340 PolarHBondContact OE1-O 3.46Å; Q122-D349 PolarHBondContact NE2-OD1 3.46Å
123E97.4Very high94.9Very high102 Ų10274.4 Ų74.448%0.47737%0.365SS..Hα-helixtrans-60.8-46.9172.4-172.3178.916500111.2R119 E120 R125 R126 R127R119-E123 PolarHBondContact O-N 3.44Å; E120-E123 PolarHBondContact O-N 3.14Å; E123-R125 PolarHBondContact O-N 2.79Å; E123-R126 PolarHBondContact O-N 3.33Å; E123-R127 VanDerWaalsContact O-CB 3.32Å; E123-R127 WeakPolarHBondContact O-CB 3.34Å; E123-R127 PolarHBondContact O-N 3.01Å; E123-R127 IonicContact OE1-CZ 3.5Å; E123-R127 IonicContact OE1-NH2 2.72Å; E123-R127 PolarHBondContact OE1-NH2 3.38Å
124K98.4Very high95.7Very high163 Ų16372.8 Ų72.871%0.70936%0.361SS*.Hα-helixtrans-57.9-47.2177.2-175.6179.6178.6-178.20111.8E120 R121 R127 L128E120-K124 WeakPolarHBondContact O-CB 3.37Å; E120-K124 PolarHBondContact O-N 2.86Å; R121-K124 PolarHBondContact O-N 3.03Å; K124-R127 PolarHBondContact O-N 3.33Å; K124-L128 WeakPolarHBondContact O-CB 3.37Å; K124-L128 PolarHBondContact O-N 3.22Å
125R98.3Very high96.3Very high36 Ų3674.7 Ų74.714%0.13637%0.37CS..Hα-helixtrans-62.7-43.5179-72.5177.1179.6167.91.2112.2R121 Q122 E123 L129 V340 H342 T345 D349R121-R125 WeakPolarHBondContact O-CG 3.12Å; R121-R125 PolarHBondContact O-N 3.22Å; R121-R125 VanDerWaalsContact O-N 3.08Å; Q122-R125 VanDerWaalsContact NE2-NH1 3.13Å; Q122-R125 PolarHBondContact O-N 2.96Å; E123-R125 PolarHBondContact O-N 2.79Å; R125-L129 PolarHBondContact O-N 2.93Å; R125-L129 VanDerWaalsContact O-N 3.14Å; R125-V340 HydrophobicContact CB-CB 4.2Å; R125-V340 WeakPolarHBondContact CD-O 3.44Å; R125-V340 PolarHBondContact NH1-O 3.4Å; R125-H342 PolarHBondContact NE-CD2 3.35Å; R125-H342 VanDerWaalsContact NE-CD2 3.31Å; R125-H342 PolarHBondContact NE-NE2 3.04Å; R125-T345 PolarHBondContact NH2-OG1 3.06Å; R125-T345 VanDerWaalsContact NH2-OG1 3.07Å; R125-D349 IonicContact CZ-OD2 3.09Å; R125-D349 VanDerWaalsContact NH1-CG 3.34Å; R125-D349 IonicContact NH1-OD1 2.68Å; R125-D349 PolarHBondContact NH1-OD1 2.92Å; R125-D349 IonicContact NH1-OD2 2.75Å; R125-D349 PolarHBondContact NH1-OD2 2.68Å; R125-D349 IonicContact NH2-OD2 3.37Å
126R98.1Very high96.3Very high79 Ų7978.5 Ų78.530%0.29838%0.382SS..Hα-helixtrans-66.6-41.8177.7-70.2172.871.6-141.51112.2Q122 E123 L129 Q130 Y337 D338Q122-R126 WeakPolarHBondContact O-CB 3.12Å; Q122-R126 VanDerWaalsContact O-CG 3.28Å; Q122-R126 WeakPolarHBondContact O-CG 3.43Å; Q122-R126 PolarHBondContact O-N 3.15Å; E123-R126 PolarHBondContact O-N 3.33Å; R126-L129 PolarHBondContact O-N 2.63Å; R126-Q130 WeakPolarHBondContact O-CG 3.39Å; R126-Q130 PolarHBondContact O-N 3.1Å; R126-Q130 VanDerWaalsContact O-N 3.15Å; R126-Y337 PolarHBondContact NE-O 3.2Å; R126-D338 VanDerWaalsContact CD-O 3.27Å; R126-D338 WeakPolarHBondContact CD-O 3.38Å
127R98.3Very high96.3Very high132 Ų13279.6 Ų79.650%0.49839%0.386SS..Hα-helixtrans-63.4-46.4178-170.9-177-66.8-175.61.7110.7E123 K124 L129 Q130 E131E123-R127 VanDerWaalsContact O-CB 3.32Å; E123-R127 WeakPolarHBondContact O-CB 3.34Å; E123-R127 PolarHBondContact O-N 3.01Å; E123-R127 IonicContact OE1-CZ 3.5Å; E123-R127 IonicContact OE1-NH2 2.72Å; E123-R127 PolarHBondContact OE1-NH2 3.38Å; K124-R127 PolarHBondContact O-N 3.33Å; R127-L129 VanDerWaalsContact C-N 3.31Å; R127-L129 PolarHBondContact O-N 3.18Å; R127-Q130 WeakPolarHBondContact O-CB 3.43Å; R127-Q130 PolarHBondContact O-N 3.05Å; R127-Q130 VanDerWaalsContact O-N 3.13Å; R127-E131 WeakPolarHBondContact CD-OE1 3.14Å; R127-E131 HydrophobicContact CG-CG 4.33Å; R127-E131 VanDerWaalsContact CG-OE1 3.29Å; R127-E131 WeakPolarHBondContact CG-OE1 3.46Å; R127-E131 WeakPolarHBondContact O-CG 3.28Å; R127-E131 PolarHBondContact O-N 3.17Å
128L98.4Very high96.1Very high51 Ų5174 Ų7427%0.26736%0.361SS..Hα-helixtrans-55.8-46.1175.6177.964.5000111.9K124 Q130 E131 V132K124-L128 WeakPolarHBondContact O-CB 3.37Å; K124-L128 PolarHBondContact O-N 3.22Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 3.29Å; L128-E131 PolarHBondContact O-N 2.72Å; L128-V132 HydrophobicContact CD1-CG2 3.89Å; L128-V132 HydrophobicContact CG-CG2 4.34Å; L128-V132 WeakPolarHBondContact O-CG2 3.31Å; L128-V132 PolarHBondContact O-N 3.16Å
129L97.5Very high96Very high8 Ų878 Ų784%0.04239%0.391CS..Hα-helixtrans-58.7-43.6178.7-163.969.1000111.6R125 R126 R127 C133 P332 Y337 V340 L403 F404R125-L129 PolarHBondContact O-N 2.93Å; R125-L129 VanDerWaalsContact O-N 3.14Å; R126-L129 PolarHBondContact O-N 2.63Å; R127-L129 VanDerWaalsContact C-N 3.31Å; R127-L129 PolarHBondContact O-N 3.18Å; L129-C133 VanDerWaalsContact O-CB 3.32Å; L129-C133 WeakPolarHBondContact O-CB 3.31Å; L129-C133 PolarHBondContact O-N 2.89Å; L129-C133 PolarHBondContact O-SG 3.14Å; L129-P332 HydrophobicContact CD1-CB 3.75Å; L129-P332 HydrophobicContact CD1-CG 4.39Å; L129-P332 HydrophobicContact CD2-CB 3.86Å; L129-P332 HydrophobicContact CG-CB 4.05Å; L129-Y337 HydrophobicContact CD2-CD2 4.29Å; L129-V340 HydrophobicContact CD2-CG2 4.45Å; L129-L403 HydrophobicContact CD1-CB 3.88Å; L129-L403 HydrophobicContact CD1-CD2 3.82Å; L129-L403 HydrophobicContact CD1-CG 4.44Å; L129-L403 VanDerWaalsContact CD1-O 3.28Å; L129-L403 WeakPolarHBondContact CD1-O 3.32Å; L129-F404 HydrophobicContact CD1-CD1 4.21Å; L129-F404 HydrophobicContact CD1-CE1 3.81Å; L129-F404 HydrophobicContact CD1-CZ 4.4Å
130Q97.3Very high96Very high90 Ų9072.4 Ų72.442%0.42137%0.371SS..Hα-helixtrans-65.1-45.3176.9-69.1172.5600111.9R126 R127 L128 C133 A134R126-Q130 WeakPolarHBondContact O-CG 3.39Å; R126-Q130 PolarHBondContact O-N 3.1Å; R126-Q130 VanDerWaalsContact O-N 3.15Å; R127-Q130 WeakPolarHBondContact O-CB 3.43Å; R127-Q130 PolarHBondContact O-N 3.05Å; R127-Q130 VanDerWaalsContact O-N 3.13Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 3.29Å; Q130-C133 PolarHBondContact O-N 3.3Å; Q130-A134 WeakPolarHBondContact O-CB 3.21Å; Q130-A134 PolarHBondContact O-N 3.45Å
131E97.6Very high95.9Very high109 Ų10970.3 Ų70.351%0.50937%0.369SS..Hα-helixtrans-61.2-46.6179-73.4172-176.300111.7R127 L128 A134 N135R127-E131 WeakPolarHBondContact CD-OE1 3.14Å; R127-E131 HydrophobicContact CG-CG 4.33Å; R127-E131 VanDerWaalsContact CG-OE1 3.29Å; R127-E131 WeakPolarHBondContact CG-OE1 3.46Å; R127-E131 WeakPolarHBondContact O-CG 3.28Å; R127-E131 PolarHBondContact O-N 3.17Å; L128-E131 PolarHBondContact O-N 2.72Å; E131-A134 PolarHBondContact O-N 2.92Å; E131-N135 VanDerWaalsContact O-CB 3.27Å; E131-N135 WeakPolarHBondContact O-CB 3.28Å; E131-N135 PolarHBondContact O-N 3.49Å
132V97.4Very high95.7Very high15 Ų1569.4 Ų69.49%0.09138%0.375CS..Hα-helixtrans-66.8-39.3179.2175.50000111.5L128 A134 N135 V138 K143 R402 L403L128-V132 HydrophobicContact CD1-CG2 3.89Å; L128-V132 HydrophobicContact CG-CG2 4.34Å; L128-V132 WeakPolarHBondContact O-CG2 3.31Å; L128-V132 PolarHBondContact O-N 3.16Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-N135 PolarHBondContact O-N 2.85Å; V132-V138 HydrophobicContact CG1-CB 4.49Å; V132-V138 HydrophobicContact CG1-CG1 4.15Å; V132-V138 HydrophobicContact CG1-CG2 4.41Å; V132-K143 PolarHBondContact O-NZ 3.36Å; V132-R402 HydrophobicContact CG1-CB 4.3Å; V132-L403 HydrophobicContact CB-CD2 4.03Å; V132-L403 HydrophobicContact CG1-CD2 3.6Å; V132-L403 HydrophobicContact CG1-CG 3.94Å
133C97.3Very high95.5Very high24 Ų2469.6 Ų69.616%0.16238%0.376CS..Hα-helixtrans-66.8-33.4175-74.80000112.7L129 Q130 K143 C333L129-C133 VanDerWaalsContact O-CB 3.32Å; L129-C133 WeakPolarHBondContact O-CB 3.31Å; L129-C133 PolarHBondContact O-N 2.89Å; L129-C133 PolarHBondContact O-SG 3.14Å; Q130-C133 PolarHBondContact O-N 3.3Å; C133-K143 WeakPolarHBondContact O-CE 3.44Å; C133-K143 PolarHBondContact O-NZ 2.92Å; C133-C333 VanDerWaalsContact CA-SG 3.54Å; C133-C333 HydrophobicContact CB-CB 3.72Å; C133-C333 WeakPolarHBondContact CB-SG 3.26Å; C133-C333 WeakPolarHBondContact SG-CA 3.33Å; C133-C333 WeakPolarHBondContact SG-CB 3.27Å; C133-C333 CovalentContact SG-SG 2.05Å; C133-C333 PolarHBondContact SG-SG 3.21Å
134A96.2Very high95.4Very high74 Ų7471.2 Ų71.261%0.61239%0.388SS*.Hα-helixtrans-80.1-20.7175.500000113.5Q130 E131 V132 D136Q130-A134 WeakPolarHBondContact O-CB 3.21Å; Q130-A134 PolarHBondContact O-N 3.45Å; E131-A134 PolarHBondContact O-N 2.92Å; V132-A134 VanDerWaalsContact C-N 3.33Å; A134-D136 PolarHBondContact O-N 3.3Å
135N95.4Very high95.3Very high72 Ų7266.3 Ų66.339%0.38537%0.365SS..  trans-80.2103-175-178.9-0.8000112.7E131 V132 S137 V138 K143E131-N135 VanDerWaalsContact O-CB 3.27Å; E131-N135 WeakPolarHBondContact O-CB 3.28Å; E131-N135 PolarHBondContact O-N 3.49Å; V132-N135 PolarHBondContact O-N 2.85Å; N135-S137 PolarHBondContact ND2-OG 2.83Å; N135-S137 PolarHBondContact O-N 2.95Å; N135-S137 WeakPolarHBondContact OD1-CB 3.49Å; N135-S137 PolarHBondContact OD1-N 3.26Å; N135-S137 PolarHBondContact OD1-OG 2.85Å; N135-V138 HydrophobicContact CB-CG2 4.43Å; N135-V138 PolarHBondContact O-N 3.3Å; N135-K143 VanDerWaalsContact C-NZ 3.32Å; N135-K143 PolarHBondContact O-NZ 2.91Å
136D91.3Very high95.2Very high136 Ų13667.3 Ų67.373%0.72738%0.377SS*.THydrogen-bonded Turntrans-57.4-21.1179.3-68.7-34.3000115.1A134 V138A134-D136 PolarHBondContact O-N 3.3Å; D136-V138 PolarHBondContact O-N 3.35Å
137S90.4Very high95.1Very high92 Ų9264.3 Ų64.364%0.64337%0.366SS*.THydrogen-bonded Turntrans-69.5-17.1176870000112.9N135N135-S137 PolarHBondContact ND2-OG 2.83Å; N135-S137 PolarHBondContact O-N 2.95Å; N135-S137 WeakPolarHBondContact OD1-CB 3.49Å; N135-S137 PolarHBondContact OD1-N 3.26Å; N135-S137 PolarHBondContact OD1-OG 2.85Å
138V89.4Confident95Very high10 Ų1061.5 Ų61.56%0.06136%0.361CS..  trans-97.9112.1175.7-173.80000108.4V132 N135 D136 F140 K143V132-V138 HydrophobicContact CG1-CB 4.49Å; V132-V138 HydrophobicContact CG1-CG1 4.15Å; V132-V138 HydrophobicContact CG1-CG2 4.41Å; N135-V138 HydrophobicContact CB-CG2 4.43Å; N135-V138 PolarHBondContact O-N 3.3Å; D136-V138 PolarHBondContact O-N 3.35Å; V138-F140 HydrophobicContact CG1-CD1 3.97Å; V138-F140 HydrophobicContact CG1-CE1 3.97Å; V138-K143 WeakPolarHBondContact O-CD 3.41Å; V138-K143 PolarHBondContact O-NZ 3.27Å
139S92.1Very high94.9Very high113 Ų11363.9 Ų63.979%0.7937%0.374SS*.  trans-116.4131.8179.7-175.90000110.9
140F94.7Very high94.8Very high16 Ų1663.6 Ų63.67%0.0737%0.373CS..  trans-152.7156.5170.651.2-98.4000110.9V138 G142 K143 Y327 P399 L403V138-F140 HydrophobicContact CG1-CD1 3.97Å; V138-F140 HydrophobicContact CG1-CE1 3.97Å; F140-G142 PolarHBondContact O-N 2.73Å; F140-K143 HydrophobicContact CD1-CD 4.4Å; F140-K143 HydrophobicContact CD2-CB 3.77Å; F140-K143 HydrophobicContact CD2-CG 4.48Å; F140-K143 HydrophobicContact CE1-CB 4.45Å; F140-K143 HydrophobicContact CE1-CD 3.96Å; F140-K143 HydrophobicContact CE1-CG 4.2Å; F140-K143 HydrophobicContact CE2-CB 3.58Å; F140-K143 HydrophobicContact CE2-CG 3.9Å; F140-K143 HydrophobicContact CG-CB 4.3Å; F140-K143 HydrophobicContact CZ-CB 3.95Å; F140-K143 HydrophobicContact CZ-CD 4.02Å; F140-K143 HydrophobicContact CZ-CG 3.74Å; F140-K143 WeakPolarHBondContact O-CB 3.36Å; F140-K143 PolarHBondContact O-N 3.49Å; F140-K143 VanDerWaalsContact O-N 3.14Å; F140-Y327 HydrophobicContact CB-CE2 4.23Å; F140-Y327 AromaticContact CD2-CD2 3.44Å; F140-Y327 HydrophobicContact CD2-CD2 3.44Å; F140-Y327 VanDerWaalsContact CD2-CD2 3.44Å; F140-Y327 AromaticContact CD2-CE2 3.53Å; F140-Y327 HydrophobicContact CD2-CE2 3.53Å; F140-Y327 HydrophobicContact CD2-CG 4.09Å; F140-Y327 AromaticContact CE2-CD2 3.72Å; F140-Y327 HydrophobicContact CE2-CD2 3.72Å; F140-Y327 HydrophobicContact CE2-CE2 4.28Å; F140-Y327 HydrophobicContact CE2-CG 4.2Å; F140-Y327 HydrophobicContact CG-CD2 4.33Å; F140-Y327 HydrophobicContact CG-CE2 4.21Å; F140-P399 HydrophobicContact CB-CB 4.07Å; F140-P399 HydrophobicContact CB-CG 3.52Å; F140-P399 HydrophobicContact CD1-CB 3.64Å; F140-P399 HydrophobicContact CD1-CG 3.87Å; F140-P399 HydrophobicContact CE1-CB 4.18Å; F140-P399 HydrophobicContact CG-CB 3.86Å; F140-P399 HydrophobicContact CG-CG 3.89Å; F140-L403 HydrophobicContact CE1-CD1 4.14Å; F140-L403 HydrophobicContact CE1-CG 4.46Å; F140-L403 HydrophobicContact CZ-CD1 3.85Å; F140-L403 HydrophobicContact CZ-CD2 4.29Å; F140-L403 HydrophobicContact CZ-CG 4.44Å
141P93.4Very high94.7Very high96 Ų9661.7 Ų61.762%0.62337%0.368SS*.THydrogen-bonded Turntrans-52.2127.7-177.8-29.534.6000113.4K143 Y327P141-K143 VanDerWaalsContact C-N 3.3Å; P141-K143 PolarHBondContact O-N 2.87Å; P141-Y327 WeakPolarHBondContact O-CE2 3.12Å
142G92.7Very high94.5Very high31 Ų3158.5 Ų58.532%0.3236%0.355SS..THydrogen-bonded Turntrans777.3176.700000115.3F140 N144 R145 Q334F140-G142 PolarHBondContact O-N 2.73Å; G142-N144 PolarHBondContact O-N 3.4Å; G142-R145 WeakPolarHBondContact O-CG 3.27Å; G142-Q334 PolarHBondContact O-NE2 3.37Å
143K95Very high94.3Very high13 Ų1364.9 Ų64.96%0.05738%0.381CS..THydrogen-bonded Turntrans-56.9-47.7176.6-176.5-177161.7177.60113.1V132 C133 N135 V138 F140 P141 Q334V132-K143 PolarHBondContact O-NZ 3.36Å; C133-K143 WeakPolarHBondContact O-CE 3.44Å; C133-K143 PolarHBondContact O-NZ 2.92Å; N135-K143 VanDerWaalsContact C-NZ 3.32Å; N135-K143 PolarHBondContact O-NZ 2.91Å; V138-K143 WeakPolarHBondContact O-CD 3.41Å; V138-K143 PolarHBondContact O-NZ 3.27Å; F140-K143 HydrophobicContact CD1-CD 4.4Å; F140-K143 HydrophobicContact CD2-CB 3.77Å; F140-K143 HydrophobicContact CD2-CG 4.48Å; F140-K143 HydrophobicContact CE1-CB 4.45Å; F140-K143 HydrophobicContact CE1-CD 3.96Å; F140-K143 HydrophobicContact CE1-CG 4.2Å; F140-K143 HydrophobicContact CE2-CB 3.58Å; F140-K143 HydrophobicContact CE2-CG 3.9Å; F140-K143 HydrophobicContact CG-CB 4.3Å; F140-K143 HydrophobicContact CZ-CB 3.95Å; F140-K143 HydrophobicContact CZ-CD 4.02Å; F140-K143 HydrophobicContact CZ-CG 3.74Å; F140-K143 WeakPolarHBondContact O-CB 3.36Å; F140-K143 PolarHBondContact O-N 3.49Å; F140-K143 VanDerWaalsContact O-N 3.14Å; P141-K143 VanDerWaalsContact C-N 3.3Å; P141-K143 PolarHBondContact O-N 2.87Å; K143-Q334 PolarHBondContact O-NE2 3.18Å
144N94.4Very high94.2Very high135 Ų13565.7 Ų65.772%0.72238%0.382SS*.THydrogen-bonded Turntrans-95.58.3-170.2-63-10.5000114.1G142G142-N144 PolarHBondContact O-N 3.4Å
145R95.4Very high94.3Very high61 Ų6162.1 Ų62.123%0.2335%0.353CS..  trans-79.6153.7178.778.1-171.6168.5165.4-0.8111.3G142 D149 E154 H331 Q334G142-R145 WeakPolarHBondContact O-CG 3.27Å; R145-D149 HydrophobicContact CB-CB 4.11Å; R145-D149 HydrophobicContact CG-CB 4.47Å; R145-E154 IonicContact CZ-OE2 2.68Å; R145-E154 IonicContact NH1-OE1 3.81Å; R145-E154 IonicContact NH1-OE2 3.35Å; R145-E154 PolarHBondContact NH1-OE2 3.34Å; R145-E154 IonicContact NH2-OE2 2.92Å; R145-E154 PolarHBondContact NH2-OE2 3.24Å; R145-H331 PolarHBondContact NH2-CE1 3.33Å; R145-H331 PolarHBondContact NH2-ND1 3.18Å; R145-Q334 HydrophobicContact CG-CG 4.44Å; R145-Q334 VanDerWaalsContact O-CG 3.23Å; R145-Q334 WeakPolarHBondContact O-CG 3.29Å; R145-Q334 PolarHBondContact O-NE2 2.86Å
146S96.3Very high94.3Very high56 Ų5660.9 Ų60.939%0.39235%0.346SS..  trans-73.4159171175.70000111.1D148 D149S146-D148 PolarHBondContact O-N 3.41Å; S146-D148 PolarHBondContact OG-N 2.76Å; S146-D149 VanDerWaalsContact CB-OD2 3.29Å; S146-D149 WeakPolarHBondContact CB-OD2 3.31Å; S146-D149 PolarHBondContact N-OD2 3.19Å; S146-D149 WeakPolarHBondContact O-CB 3.27Å; S146-D149 PolarHBondContact O-N 3.16Å; S146-D149 VanDerWaalsContact O-N 3.1Å
147F96.9Very high94.6Very high16 Ų1655.3 Ų55.37%0.0732%0.316CS..G310 helixtrans-58.2-29.9169-178.1-96.5000112.6D149 I150 L155 F217 K229 M232 K233 L236 Q334 I335F147-D149 VanDerWaalsContact C-N 3.26Å; F147-D149 PolarHBondContact O-N 3.24Å; F147-I150 HydrophobicContact CD2-CD1 3.78Å; F147-I150 HydrophobicContact CE2-CD1 4.31Å; F147-I150 HydrophobicContact CG-CD1 4.48Å; F147-I150 PolarHBondContact O-N 3.06Å; F147-L155 HydrophobicContact CE2-CD1 4.48Å; F147-L155 HydrophobicContact CE2-CD2 3.88Å; F147-L155 HydrophobicContact CZ-CD1 4.03Å; F147-L155 HydrophobicContact CZ-CD2 4.23Å; F147-F217 HydrophobicContact CZ-CD2 4.25Å; F147-F217 HydrophobicContact CZ-CE2 4.3Å; F147-K229 HydrophobicContact CE1-CD 4.25Å; F147-K229 PolarHBondContact O-NZ 3.31Å; F147-M232 HydrophobicContact CE1-CB 3.87Å; F147-M232 HydrophobicContact CE1-SD 4.12Å; F147-M232 HydrophobicContact CZ-CB 4.03Å; F147-M232 HydrophobicContact CZ-SD 4.1Å; F147-K233 HydrophobicContact CD1-CG 4.09Å; F147-K233 HydrophobicContact CE1-CG 4.39Å; F147-L236 HydrophobicContact CD1-CD1 4.25Å; F147-L236 HydrophobicContact CD2-CD1 3.87Å; F147-L236 HydrophobicContact CE1-CD1 3.92Å; F147-L236 HydrophobicContact CE2-CD1 3.52Å; F147-L236 HydrophobicContact CG-CD1 4.23Å; F147-L236 HydrophobicContact CZ-CD1 3.55Å; F147-Q334 HydrophobicContact CB-CB 4.42Å; F147-I335 HydrophobicContact CD2-CG1 4.29Å; F147-I335 HydrophobicContact CE2-CD1 4.27Å; F147-I335 HydrophobicContact CE2-CG1 4.36Å
148D95.5Very high95Very high73 Ų7351 Ų5139%0.3929%0.286SS..G310 helixtrans-64.5-34176.3-67.2-48.9000112.2S146 I150 K229 K233S146-D148 PolarHBondContact O-N 3.41Å; S146-D148 PolarHBondContact OG-N 2.76Å; D148-I150 PolarHBondContact O-N 3.29Å; D148-K229 PolarHBondContact O-NZ 3.36Å; D148-K233 WeakPolarHBondContact OD1-CE 3.36Å; D148-K233 IonicContact OD1-NZ 3.86Å; D148-K233 PolarHBondContact OD1-NZ 3.17Å; D148-K233 WeakPolarHBondContact OD2-CE 3.29Å; D148-K233 IonicContact OD2-NZ 2.74Å; D148-K233 PolarHBondContact OD2-NZ 2.92Å
149D96.3Very high95.4Very high102 Ų10250.7 Ų50.755%0.54528%0.284SS..G310 helixtrans-77.5-7.3-177.8-52.5-38.7000112.7R145 S146 F147 P151R145-D149 HydrophobicContact CB-CB 4.11Å; R145-D149 HydrophobicContact CG-CB 4.47Å; S146-D149 VanDerWaalsContact CB-OD2 3.29Å; S146-D149 WeakPolarHBondContact CB-OD2 3.31Å; S146-D149 PolarHBondContact N-OD2 3.19Å; S146-D149 WeakPolarHBondContact O-CB 3.27Å; S146-D149 PolarHBondContact O-N 3.16Å; S146-D149 VanDerWaalsContact O-N 3.1Å; F147-D149 VanDerWaalsContact C-N 3.26Å; F147-D149 PolarHBondContact O-N 3.24Å; D149-P151 VanDerWaalsContact O-CD 3.3Å; D149-P151 WeakPolarHBondContact O-CD 3.38Å
150I96.6Very high95.7Very high2 Ų245.6 Ų45.61%0.0125%0.248CC..SBendtrans-76.4119.6177.7-54176.1000109.2F147 D148 E154 L155 K229 H331 Q334F147-I150 HydrophobicContact CD2-CD1 3.78Å; F147-I150 HydrophobicContact CE2-CD1 4.31Å; F147-I150 HydrophobicContact CG-CD1 4.48Å; F147-I150 PolarHBondContact O-N 3.06Å; D148-I150 PolarHBondContact O-N 3.29Å; I150-E154 HydrophobicContact CG2-CB 3.77Å; I150-L155 HydrophobicContact CB-CD2 4.26Å; I150-L155 HydrophobicContact CD1-CD2 4.36Å; I150-L155 HydrophobicContact CG2-CD2 3.61Å; I150-L155 HydrophobicContact CG2-CG 3.97Å; I150-K229 PolarHBondContact O-NZ 3.18Å; I150-H331 HydrophobicContact CD1-CB 3.89Å; I150-Q334 HydrophobicContact CD1-CB 3.93Å; I150-Q334 HydrophobicContact CD1-CG 4Å
151P94.5Very high95.8Very high50 Ų5045.1 Ų45.133%0.32525%0.246SC..  trans-59.3143.1174.7-23.334.8000111.7D149 K153 E154D149-P151 VanDerWaalsContact O-CD 3.3Å; D149-P151 WeakPolarHBondContact O-CD 3.38Å; P151-K153 HydrophobicContact CB-CG 4.02Å; P151-K153 PolarHBondContact O-N 2.88Å; P151-K153 VanDerWaalsContact O-N 3.13Å; P151-E154 HydrophobicContact CB-CG 4.49Å; P151-E154 WeakPolarHBondContact O-CB 3.47Å; P151-E154 PolarHBondContact O-N 2.73Å
152N94Very high95.9Very high41 Ų4143.6 Ų43.622%0.21923%0.233CC..G310 helixtrans-55.6-36.5-178.1-70.8-26.5000112.8E154 L155 N218N152-E154 PolarHBondContact O-N 2.72Å; N152-L155 WeakPolarHBondContact O-CB 3.49Å; N152-L155 PolarHBondContact O-N 3.22Å; N152-N218 WeakPolarHBondContact O-CB 3.49Å; N152-N218 PolarHBondContact O-OD1 3.17Å; N152-N218 VanDerWaalsContact O-OD1 3.13Å
153K92.6Very high95.9Very high150 Ų15047.4 Ų47.465%0.65224%0.238SC*.G310 helixtrans-59.8-26.717666-177.2178.3-169.40114.1P151 L155P151-K153 HydrophobicContact CB-CG 4.02Å; P151-K153 PolarHBondContact O-N 2.88Å; P151-K153 VanDerWaalsContact O-N 3.13Å; K153-L155 VanDerWaalsContact C-N 3.27Å
154E95.6Very high95.9Very high40 Ų4049 Ų4919%0.18725%0.245CC..G310 helixtrans-82.7-5.1176.1-67.2-177.1-154.200112.9R145 I150 P151 N152 H331R145-E154 IonicContact CZ-OE2 2.68Å; R145-E154 IonicContact NH1-OE1 3.81Å; R145-E154 IonicContact NH1-OE2 3.35Å; R145-E154 PolarHBondContact NH1-OE2 3.34Å; R145-E154 IonicContact NH2-OE2 2.92Å; R145-E154 PolarHBondContact NH2-OE2 3.24Å; I150-E154 HydrophobicContact CG2-CB 3.77Å; P151-E154 HydrophobicContact CB-CG 4.49Å; P151-E154 WeakPolarHBondContact O-CB 3.47Å; P151-E154 PolarHBondContact O-N 2.73Å; N152-E154 PolarHBondContact O-N 2.72Å; E154-H331 PolarHBondContact O-NE2 3.07Å; E154-H331 IonicContact OE2-CE1 2.67Å; E154-H331 PolarHBondContact OE2-CE1 3.11Å
155L97.1Very high96Very high0 Ų043.2 Ų43.20%022%0.217CC..G310 helixtrans-99.413.6178.1-56.6176.5000112.5F147 I150 N152 K153 H157 L158 F217 N218 M232F147-L155 HydrophobicContact CE2-CD1 4.48Å; F147-L155 HydrophobicContact CE2-CD2 3.88Å; F147-L155 HydrophobicContact CZ-CD1 4.03Å; F147-L155 HydrophobicContact CZ-CD2 4.23Å; I150-L155 HydrophobicContact CB-CD2 4.26Å; I150-L155 HydrophobicContact CD1-CD2 4.36Å; I150-L155 HydrophobicContact CG2-CD2 3.61Å; I150-L155 HydrophobicContact CG2-CG 3.97Å; N152-L155 WeakPolarHBondContact O-CB 3.49Å; N152-L155 PolarHBondContact O-N 3.22Å; K153-L155 VanDerWaalsContact C-N 3.27Å; L155-H157 PolarHBondContact O-N 3.17Å; L155-L158 HydrophobicContact CB-CD1 4.38Å; L155-L158 HydrophobicContact CD2-CD1 3.77Å; L155-L158 PolarHBondContact O-N 3.09Å; L155-F217 HydrophobicContact CB-CB 3.78Å; L155-F217 HydrophobicContact CD1-CB 4.42Å; L155-N218 PolarHBondContact O-N 3.2Å; L155-M232 HydrophobicContact CD1-CE 4.2Å; L155-M232 HydrophobicContact CD1-SD 3.79Å
156D96.1Very high96.1Very high45 Ų4540.3 Ų40.324%0.24121%0.206CC..THydrogen-bonded Turntrans-71.5-16.9-179.6-159.762.3000113L158 Y170 T216 N218D156-L158 VanDerWaalsContact C-N 3.34Å; D156-Y170 WeakPolarHBondContact O-CE1 3.36Å; D156-T216 WeakPolarHBondContact O-CG2 3.25Å; D156-T216 PolarHBondContact OD1-OG1 2.94Å; D156-N218 HydrophobicContact CB-CB 3.95Å; D156-N218 WeakPolarHBondContact OD1-CB 3.31Å; D156-N218 PolarHBondContact OD1-ND2 2.93Å
157H97.9Very high96.2Very high20 Ų2037.7 Ų37.79%0.09319%0.188CC..THydrogen-bonded Turntrans-81.5-11.5178.9-74.7-97.3000114.2L155 I159 Y168 C169 Y170 E321L155-H157 PolarHBondContact O-N 3.17Å; H157-I159 PolarHBondContact O-N 3.21Å; H157-Y168 VanDerWaalsContact O-O 3.12Å; H157-C169 CarbonylContact O-C 3.4Å; H157-C169 VanDerWaalsContact O-CA 3.28Å; H157-C169 WeakPolarHBondContact O-CA 3.45Å; H157-Y170 VanDerWaalsContact CA-CE1 3.45Å; H157-Y170 HydrophobicContact CB-CD1 4.39Å; H157-Y170 HydrophobicContact CB-CE1 4.28Å; H157-Y170 AromaticContact CE1-CE2 3.37Å; H157-Y170 WeakPolarHBondContact CE1-CE2 3.43Å; H157-Y170 AromaticContact CE1-CZ 3.64Å; H157-Y170 AromaticContact CG-CZ 3.96Å; H157-Y170 AromaticContact ND1-CD2 3.62Å; H157-Y170 AromaticContact ND1-CE2 3.28Å; H157-Y170 VanDerWaalsContact ND1-CE2 3.28Å; H157-Y170 WeakPolarHBondContact ND1-CE2 3.5Å; H157-Y170 AromaticContact ND1-CZ 3.47Å; H157-Y170 PolarHBondContact ND1-O 3.42Å; H157-Y170 WeakPolarHBondContact O-CD1 3.45Å; H157-Y170 PolarHBondContact O-N 3.32Å; H157-E321 IonicContact CE1-OE2 3.27Å; H157-E321 PolarHBondContact CE1-OE2 2.9Å
158L98.6Very high96.3Very high0 Ų036.9 Ų36.90%018%0.184CC..EExtended strand (participates in β ladder)trans-95.192.9-176.4-64.5165.6000110.2L155 D156 I167 C169 T216 F217 I335L155-L158 HydrophobicContact CB-CD1 4.38Å; L155-L158 HydrophobicContact CD2-CD1 3.77Å; L155-L158 PolarHBondContact O-N 3.09Å; D156-L158 VanDerWaalsContact C-N 3.34Å; L158-I167 HydrophobicContact CB-CG2 4.22Å; L158-I167 HydrophobicContact CD2-CG2 3.88Å; L158-C169 HydrophobicContact CD2-CB 3.76Å; L158-T216 CarbonylContact O-C 3.59Å; L158-T216 WeakPolarHBondContact O-CA 2.94Å; L158-F217 HydrophobicContact CB-CB 4.2Å; L158-F217 HydrophobicContact CB-CD2 3.96Å; L158-F217 HydrophobicContact CB-CG 4.11Å; L158-F217 HydrophobicContact CD1-CD2 3.49Å; L158-F217 VanDerWaalsContact CD1-CD2 3.49Å; L158-F217 HydrophobicContact CD1-CE2 4.07Å; L158-F217 HydrophobicContact CD1-CG 4.34Å; L158-F217 HydrophobicContact CG-CD2 4.36Å; L158-F217 PolarHBondContact O-N 2.95Å; L158-I335 HydrophobicContact CD1-CD1 3.61Å; L158-I335 HydrophobicContact CD2-CD1 3.92Å; L158-I335 HydrophobicContact CG-CD1 4.4Å
159I98.5Very high96.5Very high4 Ų433.4 Ų33.42%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-79.3132.1174.9-59.1170.1000108.6H157 I167 Y168 Y170 K180 M183 H214 T216H157-I159 PolarHBondContact O-N 3.21Å; I159-I167 CarbonylContact O-C 3.57Å; I159-I167 WeakPolarHBondContact O-CA 3.45Å; I159-Y168 HydrophobicContact CD1-CD1 4.09Å; I159-Y168 PolarHBondContact N-O 3.41Å; I159-Y168 PolarHBondContact O-N 3.06Å; I159-Y170 HydrophobicContact CD1-CD1 3.58Å; I159-Y170 HydrophobicContact CD1-CE1 4.23Å; I159-Y170 HydrophobicContact CD1-CG 4.36Å; I159-Y170 HydrophobicContact CG1-CD1 3.85Å; I159-Y170 HydrophobicContact CG1-CE1 4.29Å; I159-K180 HydrophobicContact CD1-CG 3.96Å; I159-M183 HydrophobicContact CG2-CB 4.25Å; I159-M183 HydrophobicContact CG2-CE 3.94Å; I159-M183 HydrophobicContact CG2-CG 4.29Å; I159-H214 HydrophobicContact CD1-CB 4.07Å; I159-H214 HydrophobicContact CG1-CB 4.03Å; I159-H214 HydrophobicContact CG2-CB 4.21Å; I159-T216 HydrophobicContact CG1-CG2 4Å
160V98.1Very high96.6Very high7 Ų729.3 Ų29.34%0.04214%0.143CC..EExtended strand (participates in β ladder)trans-113.7129.4-176.7-169.80000109.5D162 F215 F217 F220 K235 Y239V160-D162 WeakPolarHBondContact CG1-OD1 3.29Å; V160-F215 PolarHBondContact N-O 3.47Å; V160-F217 HydrophobicContact CG2-CD1 3.27Å; V160-F217 HydrophobicContact CG2-CE1 3.3Å; V160-F217 HydrophobicContact CG2-CG 4.3Å; V160-F217 HydrophobicContact CG2-CZ 4.33Å; V160-F220 HydrophobicContact CB-CE1 4.38Å; V160-F220 HydrophobicContact CB-CZ 4.47Å; V160-F220 HydrophobicContact CG1-CZ 4.31Å; V160-F220 HydrophobicContact CG2-CE1 3.9Å; V160-F220 HydrophobicContact CG2-CZ 4.08Å; V160-K235 HydrophobicContact CG1-CD 4.13Å; V160-Y239 HydrophobicContact CG1-CD2 4.12Å; V160-Y239 HydrophobicContact CG1-CE2 3.8Å
161D96.8Very high96.7Very high5 Ų529.2 Ų29.23%0.02714%0.142CC..EExtended strand (participates in β ladder)trans-115.4106.6163.9172.147.2000109.8R163 H164 G165 I166 M183D161-R163 PolarHBondContact O-N 3.4Å; D161-R163 WeakPolarHBondContact OD1-CB 3.35Å; D161-R163 PolarHBondContact OD1-N 3.27Å; D161-H164 WeakPolarHBondContact OD2-CB 3.24Å; D161-H164 IonicContact OD2-CE1 2.71Å; D161-H164 IonicContact OD2-CG 3.95Å; D161-H164 VanDerWaalsContact OD2-CG 3.29Å; D161-H164 PolarHBondContact OD2-N 2.82Å; D161-H164 IonicContact OD2-ND1 3.27Å; D161-H164 PolarHBondContact OD2-ND1 2.85Å; D161-G165 WeakPolarHBondContact O-CA 3.36Å; D161-G165 PolarHBondContact O-N 2.85Å; D161-I166 HydrophobicContact CB-CB 4.32Å; D161-I166 PolarHBondContact N-O 2.8Å; D161-I166 PolarHBondContact O-N 2.59Å; D161-M183 HydrophobicContact CB-CE 3.67Å
162D94.2Very high96.8Very high65 Ų6527 Ų2735%0.34813%0.128SC..THydrogen-bonded Turntrans-70.8-22.8-178.8-75.7-2.8000112.4V160 K235 Y239V160-D162 WeakPolarHBondContact CG1-OD1 3.29Å; D162-K235 WeakPolarHBondContact OD1-CE 3.26Å; D162-K235 IonicContact OD1-NZ 2.81Å; D162-K235 PolarHBondContact OD1-NZ 2.72Å; D162-K235 IonicContact OD2-NZ 3.96Å; D162-K235 PolarHBondContact OD2-NZ 2.81Å; D162-Y239 WeakPolarHBondContact CA-OH 3.3Å; D162-Y239 VanDerWaalsContact OD1-CE2 3.28Å; D162-Y239 WeakPolarHBondContact OD1-CE2 3.3Å; D162-Y239 PolarHBondContact OD1-OH 3.41Å
163R93.2Very high96.9Very high111 Ų11126.6 Ų26.642%0.41912%0.124SC..THydrogen-bonded Turntrans-71-43.3-176.1-63.5-173.4121.6-148.415.5112.1V102 D161 E188V102-R163 VanDerWaalsContact CG2-NH2 3.33Å; D161-R163 PolarHBondContact O-N 3.4Å; D161-R163 WeakPolarHBondContact OD1-CB 3.35Å; D161-R163 PolarHBondContact OD1-N 3.27Å; R163-E188 IonicContact CZ-OE2 2.72Å; R163-E188 VanDerWaalsContact CZ-OE2 3.28Å; R163-E188 IonicContact NH1-OE1 3.22Å; R163-E188 IonicContact NH1-OE2 3.75Å; R163-E188 PolarHBondContact NH1-OE2 2.83Å; R163-E188 IonicContact NH2-OE2 3.84Å; R163-E188 PolarHBondContact NH2-OE2 3.09Å
164H94.6Very high97Very high46 Ų4619.4 Ų19.421%0.2139%0.093CC..THydrogen-bonded Turntrans-103-2.6179.2-53.687.4000112.5W107 D161 I166 L186W107-H164 HydrophobicContact CH2-CB 4.04Å; D161-H164 WeakPolarHBondContact OD2-CB 3.24Å; D161-H164 IonicContact OD2-CE1 2.71Å; D161-H164 IonicContact OD2-CG 3.95Å; D161-H164 VanDerWaalsContact OD2-CG 3.29Å; D161-H164 PolarHBondContact OD2-N 2.82Å; D161-H164 IonicContact OD2-ND1 3.27Å; D161-H164 PolarHBondContact OD2-ND1 2.85Å; H164-I166 HydrophobicContact CB-CD1 3.54Å; H164-I166 HydrophobicContact CB-CG1 3.88Å; H164-L186 PolarHBondContact CE1-O 2.86Å
165G97Very high96.8Very high13 Ų1318.8 Ų18.813%0.1349%0.094CC..THydrogen-bonded Turntrans66.651.5-178.600000111.4D161 Y239 T240D161-G165 WeakPolarHBondContact O-CA 3.36Å; D161-G165 PolarHBondContact O-N 2.85Å; G165-Y239 VanDerWaalsContact C-CB 3.47Å; G165-Y239 VanDerWaalsContact C-CG 3.4Å; G165-Y239 CarbonylContact O-C 3.34Å; G165-Y239 WeakPolarHBondContact O-CA 3.47Å; G165-Y239 WeakPolarHBondContact O-CB 3.35Å; G165-T240 PolarHBondContact O-N 2.91Å
166I98.4Very high96.7Very high1 Ų119.3 Ų19.31%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-117.9139.4-174.8-63.3170.6000110.1D161 H164 M183 L186 T240 F242 L357D161-I166 HydrophobicContact CB-CB 4.32Å; D161-I166 PolarHBondContact N-O 2.8Å; D161-I166 PolarHBondContact O-N 2.59Å; H164-I166 HydrophobicContact CB-CD1 3.54Å; H164-I166 HydrophobicContact CB-CG1 3.88Å; I166-M183 HydrophobicContact CB-CE 4.41Å; I166-M183 HydrophobicContact CG2-CE 3.91Å; I166-M183 HydrophobicContact CG2-SD 4.12Å; I166-L186 HydrophobicContact CD1-CD1 3.92Å; I166-T240 WeakPolarHBondContact CA-O 3.38Å; I166-F242 HydrophobicContact CG2-CD1 4.06Å; I166-F242 HydrophobicContact CG2-CE1 3.56Å; I166-L357 HydrophobicContact CD1-CD1 3.86Å; I166-L357 HydrophobicContact CD1-CD2 4.09Å; I166-L357 HydrophobicContact CD1-CG 4.4Å; I166-L357 HydrophobicContact CG1-CD1 4.38Å; I166-L357 HydrophobicContact CG1-CD2 3.84Å
167I98.8Very high96.6Very high0 Ų018.8 Ų18.80%010%0.098CC..EExtended strand (participates in β ladder)trans-122.7115.7165.4-58.8170.8000108.5L158 I159 F217 K235 L236 Y239 T240 K241 F242L158-I167 HydrophobicContact CB-CG2 4.22Å; L158-I167 HydrophobicContact CD2-CG2 3.88Å; I159-I167 CarbonylContact O-C 3.57Å; I159-I167 WeakPolarHBondContact O-CA 3.45Å; I167-F217 HydrophobicContact CD1-CE1 4.36Å; I167-F217 HydrophobicContact CD1-CE2 4.35Å; I167-F217 HydrophobicContact CD1-CZ 3.63Å; I167-F217 HydrophobicContact CG1-CZ 4.44Å; I167-K235 HydrophobicContact CD1-CB 4.27Å; I167-L236 HydrophobicContact CD1-CD2 3.93Å; I167-L236 HydrophobicContact CD1-CG 4.39Å; I167-Y239 HydrophobicContact CD1-CD2 4.34Å; I167-Y239 HydrophobicContact CG1-CD2 3.95Å; I167-Y239 HydrophobicContact CG1-CG 4.44Å; I167-T240 PolarHBondContact N-O 3.09Å; I167-K241 HydrophobicContact CB-CB 4.42Å; I167-K241 HydrophobicContact CB-CG 3.93Å; I167-K241 HydrophobicContact CD1-CG 4Å; I167-K241 HydrophobicContact CG1-CG 4.4Å; I167-K241 CarbonylContact O-C 3.52Å; I167-K241 VanDerWaalsContact O-CA 3.29Å; I167-K241 WeakPolarHBondContact O-CA 3.25Å; I167-F242 PolarHBondContact O-N 3.33Å
168Y98.8Very high96.4Very high0 Ų018.7 Ų18.70%010%0.098CC..EExtended strand (participates in β ladder)trans-103.1116.5174.3172.3-137.8000109.9H157 I159 Y170 C176 W179 K180 M183 F242H157-Y168 VanDerWaalsContact O-O 3.12Å; I159-Y168 HydrophobicContact CD1-CD1 4.09Å; I159-Y168 PolarHBondContact N-O 3.41Å; I159-Y168 PolarHBondContact O-N 3.06Å; Y168-Y170 VanDerWaalsContact CZ-CA 3.45Å; Y168-Y170 PolarHBondContact O-N 2.81Å; Y168-C176 WeakPolarHBondContact OH-CA 3.26Å; Y168-C176 WeakPolarHBondContact OH-CB 3.39Å; Y168-W179 HydrophobicContact CD1-CB 4.12Å; Y168-W179 HydrophobicContact CE1-CB 3.37Å; Y168-W179 HydrophobicContact CE1-CG 4.35Å; Y168-W179 HydrophobicContact CE2-CB 4.14Å; Y168-W179 HydrophobicContact CE2-CG 4.3Å; Y168-W179 AromaticContact CZ-CG 3.95Å; Y168-W179 WeakPolarHBondContact OH-CB 3.32Å; Y168-K180 HydrophobicContact CE1-CG 4.46Å; Y168-M183 HydrophobicContact CD1-CG 3.89Å; Y168-M183 HydrophobicContact CG-CG 4.44Å; Y168-F242 AromaticContact CD2-CD2 3.71Å; Y168-F242 HydrophobicContact CD2-CD2 3.71Å; Y168-F242 HydrophobicContact CD2-CE1 4.18Å; Y168-F242 AromaticContact CD2-CE2 3.19Å; Y168-F242 HydrophobicContact CD2-CE2 3.19Å; Y168-F242 HydrophobicContact CD2-CG 4.4Å; Y168-F242 AromaticContact CD2-CZ 3.47Å; Y168-F242 HydrophobicContact CD2-CZ 3.47Å; Y168-F242 VanDerWaalsContact CD2-CZ 3.47Å; Y168-F242 HydrophobicContact CE2-CD2 4.22Å; Y168-F242 AromaticContact CE2-CE2 3.67Å; Y168-F242 HydrophobicContact CE2-CE2 3.67Å; Y168-F242 HydrophobicContact CE2-CZ 4.28Å; Y168-F242 HydrophobicContact CG-CE1 4.21Å; Y168-F242 AromaticContact CG-CE2 3.86Å; Y168-F242 HydrophobicContact CG-CE2 3.86Å; Y168-F242 AromaticContact CG-CZ 3.62Å; Y168-F242 HydrophobicContact CG-CZ 3.62Å
169C98.8Very high96.3Very high0 Ų018.8 Ų18.80%010%0.098CC..EExtended strand (participates in β ladder)trans-84.3107.9164.7-167.50000110.5H157 L158 F242 L243 C330 Y337H157-C169 CarbonylContact O-C 3.4Å; H157-C169 VanDerWaalsContact O-CA 3.28Å; H157-C169 WeakPolarHBondContact O-CA 3.45Å; L158-C169 HydrophobicContact CD2-CB 3.76Å; C169-F242 PolarHBondContact N-O 3.17Å; C169-L243 HydrophobicContact CB-CB 4.07Å; C169-C330 HydrophobicContact CB-CB 3.89Å; C169-C330 WeakPolarHBondContact CB-SG 3.29Å; C169-C330 WeakPolarHBondContact SG-CA 3.41Å; C169-C330 WeakPolarHBondContact SG-CB 3.49Å; C169-C330 CovalentContact SG-SG 2.03Å; C169-C330 PolarHBondContact SG-SG 3.27Å; C169-Y337 HydrophobicContact CB-CE1 3.9Å; C169-Y337 VanDerWaalsContact CB-OH 3.22Å; C169-Y337 WeakPolarHBondContact CB-OH 3.23Å
170Y98.3Very high96.3Very high16 Ų1619.1 Ų19.16%0.06310%0.099CC..  trans-82.5130.1-18078.1-96.2000111.9D156 H157 I159 Y168 K180 E321D156-Y170 WeakPolarHBondContact O-CE1 3.36Å; H157-Y170 VanDerWaalsContact CA-CE1 3.45Å; H157-Y170 HydrophobicContact CB-CD1 4.39Å; H157-Y170 HydrophobicContact CB-CE1 4.28Å; H157-Y170 AromaticContact CE1-CE2 3.37Å; H157-Y170 WeakPolarHBondContact CE1-CE2 3.43Å; H157-Y170 AromaticContact CE1-CZ 3.64Å; H157-Y170 AromaticContact CG-CZ 3.96Å; H157-Y170 AromaticContact ND1-CD2 3.62Å; H157-Y170 AromaticContact ND1-CE2 3.28Å; H157-Y170 VanDerWaalsContact ND1-CE2 3.28Å; H157-Y170 WeakPolarHBondContact ND1-CE2 3.5Å; H157-Y170 AromaticContact ND1-CZ 3.47Å; H157-Y170 PolarHBondContact ND1-O 3.42Å; H157-Y170 WeakPolarHBondContact O-CD1 3.45Å; H157-Y170 PolarHBondContact O-N 3.32Å; I159-Y170 HydrophobicContact CD1-CD1 3.58Å; I159-Y170 HydrophobicContact CD1-CE1 4.23Å; I159-Y170 HydrophobicContact CD1-CG 4.36Å; I159-Y170 HydrophobicContact CG1-CD1 3.85Å; I159-Y170 HydrophobicContact CG1-CE1 4.29Å; Y168-Y170 VanDerWaalsContact CZ-CA 3.45Å; Y168-Y170 PolarHBondContact O-N 2.81Å; Y170-K180 VanDerWaalsContact CD2-NZ 3.35Å; Y170-K180 VanDerWaalsContact CZ-NZ 3.34Å; Y170-E321 WeakPolarHBondContact CE2-OE2 3.2Å
171V98.4Very high96.2Very high0 Ų020.5 Ų20.50%010%0.104CC..  trans-117.7124.4175.2170.60000107.8V174 C176 V326 C330V171-V174 HydrophobicContact CB-CG2 3.85Å; V171-V174 HydrophobicContact CG1-CG1 4.04Å; V171-V174 HydrophobicContact CG1-CG2 4.15Å; V171-V174 WeakPolarHBondContact O-CG2 3.5Å; V171-C176 VanDerWaalsContact O-CB 3.28Å; V171-C176 WeakPolarHBondContact O-CB 3.28Å; V171-V326 HydrophobicContact CG1-CG2 3.68Å; V171-V326 HydrophobicContact CG2-CG1 3.72Å; V171-V326 HydrophobicContact CG2-CG2 4.39Å; V171-C330 WeakPolarHBondContact CG2-SG 3.32Å
172P97.3Very high96.2Very high3 Ų320.3 Ų20.32%0.01910%0.103CC..THydrogen-bonded Turntrans-63.4150179.6-24.935000113.5V174 E321 H322P172-V174 VanDerWaalsContact C-N 3.33Å; P172-E321 HydrophobicContact CG-CB 4.06Å; P172-E321 HydrophobicContact CG-CG 4.15Å; P172-E321 WeakPolarHBondContact CG-O 3.46Å; P172-E321 WeakPolarHBondContact CG-OE2 3.48Å; P172-H322 WeakPolarHBondContact CB-ND1 3.28Å
173K95.4Very high96.3Very high32 Ų3217.3 Ų17.314%0.1399%0.087CC..THydrogen-bonded Turntrans7317.4177.1-41-56.6164.6-169.50115.9R246 R251 A255 N258K173-R246 PolarHBondContact O-NH1 2.89Å; K173-R246 VanDerWaalsContact O-NH1 3.13Å; K173-R251 HydrophobicContact CB-CG 3.79Å; K173-R251 HydrophobicContact CG-CG 4.44Å; K173-A255 HydrophobicContact CG-CB 4.08Å; K173-N258 VanDerWaalsContact NZ-CG 3.3Å; K173-N258 PolarHBondContact NZ-OD1 3.37Å
174V95.2Very high96.4Very high0 Ų012.1 Ų12.10%07%0.067CC..SBendtrans-124.445.7176-460000111.3V171 P172 C176 F244 R246 R251V171-V174 HydrophobicContact CB-CG2 3.85Å; V171-V174 HydrophobicContact CG1-CG1 4.04Å; V171-V174 HydrophobicContact CG1-CG2 4.15Å; V171-V174 WeakPolarHBondContact O-CG2 3.5Å; P172-V174 VanDerWaalsContact C-N 3.33Å; V174-C176 PolarHBondContact O-N 2.81Å; V174-F244 HydrophobicContact CB-CB 4.41Å; V174-F244 HydrophobicContact CG2-CB 3.85Å; V174-F244 WeakPolarHBondContact CG2-O 3.45Å; V174-R246 HydrophobicContact CB-CB 4.38Å; V174-R246 HydrophobicContact CG1-CB 3.52Å; V174-R251 HydrophobicContact CG1-CG 4.43Å
175A91.5Very high96.5Very high26 Ų269.9 Ų9.922%0.2156%0.057CC..SBendtrans59.623.9-172.300000115.4S177 N178 W179 L343 F365A175-S177 PolarHBondContact O-N 3.47Å; A175-S177 VanDerWaalsContact O-N 3.09Å; A175-N178 PolarHBondContact O-N 3Å; A175-W179 PolarHBondContact O-N 2.6Å; A175-L343 HydrophobicContact CB-CD1 3.7Å; A175-F365 HydrophobicContact CB-CZ 3.9Å
176C94.4Very high96.4Very high12 Ų129.5 Ų9.58%0.0815%0.052CC..Hα-helixtrans-58.4-27.5-178.4680000115Y168 V171 V174 N178 K180Y168-C176 WeakPolarHBondContact OH-CA 3.26Å; Y168-C176 WeakPolarHBondContact OH-CB 3.39Å; V171-C176 VanDerWaalsContact O-CB 3.28Å; V171-C176 WeakPolarHBondContact O-CB 3.28Å; V174-C176 PolarHBondContact O-N 2.81Å; C176-N178 VanDerWaalsContact C-N 3.31Å; C176-K180 VanDerWaalsContact O-CB 3.3Å; C176-K180 WeakPolarHBondContact O-CB 3.28Å; C176-K180 VanDerWaalsContact O-CG 3.26Å; C176-K180 WeakPolarHBondContact O-CG 2.83Å; C176-K180 PolarHBondContact O-N 2.72Å
177S93.9Very high96.1Very high33 Ų3311.2 Ų11.223%0.2316%0.064CC..Hα-helixtrans-66-36175.9-62.90000111.6A175 R181 V208 H209A175-S177 PolarHBondContact O-N 3.47Å; A175-S177 VanDerWaalsContact O-N 3.09Å; S177-R181 VanDerWaalsContact O-CG 3.29Å; S177-R181 WeakPolarHBondContact O-CG 3.37Å; S177-R181 PolarHBondContact O-N 3.25Å; S177-R181 VanDerWaalsContact O-N 3.12Å; S177-V208 WeakPolarHBondContact O-CG1 3.46Å; S177-H209 PolarHBondContact OG-CE1 2.96Å; S177-H209 PolarHBondContact OG-NE2 2.81Å
178N94.8Very high95.9Very high18 Ų1812.9 Ų12.910%0.0967%0.072CC..Hα-helixtrans-71.3-45.5177.2-72.70.8000110.4A175 C176 K180 R181 I182 F365 P366A175-N178 PolarHBondContact O-N 3Å; C176-N178 VanDerWaalsContact C-N 3.31Å; N178-K180 VanDerWaalsContact C-N 3.35Å; N178-K180 PolarHBondContact O-N 2.92Å; N178-R181 WeakPolarHBondContact O-CB 3.09Å; N178-R181 PolarHBondContact O-N 3.16Å; N178-R181 VanDerWaalsContact O-N 3.14Å; N178-R181 PolarHBondContact OD1-NH1 3.04Å; N178-I182 WeakPolarHBondContact O-CG1 3.5Å; N178-I182 PolarHBondContact O-N 3.23Å; N178-F365 HydrophobicContact CB-CE2 3.88Å; N178-F365 HydrophobicContact CB-CZ 4.05Å; N178-P366 HydrophobicContact CB-CG 4.34Å; N178-P366 PolarHBondContact ND2-O 3.36Å
179W96.8Very high95.5Very high2 Ų215.3 Ų15.31%0.0089%0.088CC..Hα-helixtrans-61.1-40.3173.7-75.8114.3000113Y168 A175 R181 I182 M183 F242 F244 A350 L353 L354 F365Y168-W179 HydrophobicContact CD1-CB 4.12Å; Y168-W179 HydrophobicContact CE1-CB 3.37Å; Y168-W179 HydrophobicContact CE1-CG 4.35Å; Y168-W179 HydrophobicContact CE2-CB 4.14Å; Y168-W179 HydrophobicContact CE2-CG 4.3Å; Y168-W179 AromaticContact CZ-CG 3.95Å; Y168-W179 WeakPolarHBondContact OH-CB 3.32Å; A175-W179 PolarHBondContact O-N 2.6Å; W179-R181 VanDerWaalsContact C-N 3.31Å; W179-R181 PolarHBondContact O-N 2.99Å; W179-I182 HydrophobicContact CD2-CD1 4.37Å; W179-I182 HydrophobicContact CE3-CB 4.4Å; W179-I182 HydrophobicContact CE3-CD1 3.78Å; W179-I182 HydrophobicContact CE3-CG2 4.37Å; W179-I182 HydrophobicContact CH2-CD1 4.48Å; W179-I182 HydrophobicContact CZ3-CD1 3.85Å; W179-I182 HydrophobicContact CZ3-CG2 4.39Å; W179-I182 WeakPolarHBondContact O-CB 3.46Å; W179-I182 PolarHBondContact O-N 2.75Å; W179-M183 WeakPolarHBondContact O-CG 3.35Å; W179-M183 PolarHBondContact O-N 2.88Å; W179-F242 AromaticContact CD2-CE2 3.81Å; W179-F242 HydrophobicContact CD2-CE2 3.81Å; W179-F242 HydrophobicContact CD2-CZ 4.2Å; W179-F242 AromaticContact CE3-CE2 3.71Å; W179-F242 HydrophobicContact CE3-CE2 3.71Å; W179-F242 AromaticContact CE3-CZ 3.65Å; W179-F242 HydrophobicContact CE3-CZ 3.65Å; W179-F242 HydrophobicContact CG-CE2 4.36Å; W179-F242 HydrophobicContact CH2-CE2 4.47Å; W179-F242 HydrophobicContact CZ3-CE2 4.05Å; W179-F242 AromaticContact CZ3-CZ 3.96Å; W179-F242 HydrophobicContact CZ3-CZ 3.96Å; W179-F244 AromaticContact CD1-CD2 3.98Å; W179-F244 HydrophobicContact CD2-CE2 4.35Å; W179-F244 AromaticContact CE2-CD2 3.7Å; W179-F244 AromaticContact CE2-CE2 3.33Å; W179-F244 AromaticContact CE2-CZ 3.69Å; W179-F244 HydrophobicContact CH2-CE2 4.14Å; W179-F244 HydrophobicContact CH2-CZ 4.32Å; W179-F244 HydrophobicContact CZ2-CD2 4.08Å; W179-F244 HydrophobicContact CZ2-CE1 4.15Å; W179-F244 AromaticContact CZ2-CE2 3.22Å; W179-F244 HydrophobicContact CZ2-CE2 3.22Å; W179-F244 AromaticContact CZ2-CZ 3.28Å; W179-F244 HydrophobicContact CZ2-CZ 3.28Å; W179-F244 AromaticContact NE1-CD1 3.83Å; W179-F244 AromaticContact NE1-CD2 3.27Å; W179-F244 VanDerWaalsContact NE1-CD2 3.27Å; W179-F244 AromaticContact NE1-CE1 3.87Å; W179-F244 AromaticContact NE1-CE2 3.35Å; W179-F244 AromaticContact NE1-CG 3.54Å; W179-F244 AromaticContact NE1-CZ 3.67Å; W179-A350 HydrophobicContact CH2-CB 3.96Å; W179-A350 HydrophobicContact CZ2-CB 3.6Å; W179-L353 HydrophobicContact CH2-CB 4.48Å; W179-L353 HydrophobicContact CH2-CD2 3.62Å; W179-L353 HydrophobicContact CH2-CG 4.32Å; W179-L353 HydrophobicContact CZ2-CD2 4.1Å; W179-L353 HydrophobicContact CZ3-CD2 4.05Å; W179-L354 HydrophobicContact CH2-CD2 4.27Å; W179-L354 HydrophobicContact CH2-CG 4.39Å; W179-L354 HydrophobicContact CZ3-CD2 4.04Å; W179-F365 AromaticContact CD1-CE2 3.93Å; W179-F365 HydrophobicContact CD2-CD2 4.39Å; W179-F365 HydrophobicContact CD2-CE2 4.09Å; W179-F365 AromaticContact CE2-CD2 3.9Å; W179-F365 AromaticContact CE2-CE2 3.55Å; W179-F365 HydrophobicContact CG-CE2 4.28Å; W179-F365 HydrophobicContact CH2-CD2 4.23Å; W179-F365 AromaticContact CZ2-CD2 3.8Å; W179-F365 HydrophobicContact CZ2-CD2 3.8Å; W179-F365 AromaticContact CZ2-CE2 3.88Å; W179-F365 HydrophobicContact CZ2-CE2 3.88Å; W179-F365 AromaticContact NE1-CE2 3.49Å
180K96.9Very high95.2Very high11 Ų1116.8 Ų16.85%0.04810%0.096CC..Hα-helixtrans-61.2-37.7174-79.1-175.9-176.5-165.80112.4I159 Y168 Y170 C176 N178 M183 I184 V208 H214I159-K180 HydrophobicContact CD1-CG 3.96Å; Y168-K180 HydrophobicContact CE1-CG 4.46Å; Y170-K180 VanDerWaalsContact CD2-NZ 3.35Å; Y170-K180 VanDerWaalsContact CZ-NZ 3.34Å; C176-K180 VanDerWaalsContact O-CB 3.3Å; C176-K180 WeakPolarHBondContact O-CB 3.28Å; C176-K180 VanDerWaalsContact O-CG 3.26Å; C176-K180 WeakPolarHBondContact O-CG 2.83Å; C176-K180 PolarHBondContact O-N 2.72Å; N178-K180 VanDerWaalsContact C-N 3.35Å; N178-K180 PolarHBondContact O-N 2.92Å; K180-M183 PolarHBondContact O-N 3.32Å; K180-I184 WeakPolarHBondContact O-CG1 3.02Å; K180-I184 PolarHBondContact O-N 3.43Å; K180-V208 HydrophobicContact CB-CG1 3.66Å; K180-V208 HydrophobicContact CD-CG1 4.4Å; K180-H214 PolarHBondContact O-CE1 2.91Å
181R96.2Very high94.8Very high36 Ų3622.6 Ų22.614%0.13612%0.124CC..Hα-helixtrans-63.8-45.6173.5-71.2165.9162.5125.53.9111.8S177 N178 W179 M183 I184 V185 P200 I203 V208S177-R181 VanDerWaalsContact O-CG 3.29Å; S177-R181 WeakPolarHBondContact O-CG 3.37Å; S177-R181 PolarHBondContact O-N 3.25Å; S177-R181 VanDerWaalsContact O-N 3.12Å; N178-R181 WeakPolarHBondContact O-CB 3.09Å; N178-R181 PolarHBondContact O-N 3.16Å; N178-R181 VanDerWaalsContact O-N 3.14Å; N178-R181 PolarHBondContact OD1-NH1 3.04Å; W179-R181 VanDerWaalsContact C-N 3.31Å; W179-R181 PolarHBondContact O-N 2.99Å; R181-M183 VanDerWaalsContact C-N 3.31Å; R181-M183 PolarHBondContact O-N 3.43Å; R181-I184 WeakPolarHBondContact O-CB 3.43Å; R181-I184 PolarHBondContact O-N 3.42Å; R181-I184 VanDerWaalsContact O-N 3.14Å; R181-V185 PolarHBondContact O-N 3.17Å; R181-P200 HydrophobicContact CB-CB 3.83Å; R181-P200 WeakPolarHBondContact CD-O 3.28Å; R181-P200 WeakPolarHBondContact CG-O 3.09Å; R181-P200 PolarHBondContact NE-O 2.95Å; R181-I203 HydrophobicContact CB-CD1 4.12Å; R181-I203 HydrophobicContact CG-CB 4.13Å; R181-I203 HydrophobicContact CG-CD1 4.35Å; R181-I203 HydrophobicContact CG-CG2 4.46Å; R181-I203 PolarHBondContact NE-O 2.89Å; R181-I203 PolarHBondContact NH2-O 3.4Å; R181-V208 HydrophobicContact CG-CG1 4.33Å; R181-V208 HydrophobicContact CG-CG2 3.4Å; R181-V208 VanDerWaalsContact CG-CG2 3.4Å
182I96.4Very high94.2Very high1 Ų127.6 Ų27.61%0.00515%0.147CC..Hα-helixtrans-56.9-47.2174.5-68.5167.7000110.1N178 W179 I184 V185 L186 L354 V363 F365N178-I182 WeakPolarHBondContact O-CG1 3.5Å; N178-I182 PolarHBondContact O-N 3.23Å; W179-I182 HydrophobicContact CD2-CD1 4.37Å; W179-I182 HydrophobicContact CE3-CB 4.4Å; W179-I182 HydrophobicContact CE3-CD1 3.78Å; W179-I182 HydrophobicContact CE3-CG2 4.37Å; W179-I182 HydrophobicContact CH2-CD1 4.48Å; W179-I182 HydrophobicContact CZ3-CD1 3.85Å; W179-I182 HydrophobicContact CZ3-CG2 4.39Å; W179-I182 WeakPolarHBondContact O-CB 3.46Å; W179-I182 PolarHBondContact O-N 2.75Å; I182-I184 VanDerWaalsContact C-N 3.3Å; I182-I184 PolarHBondContact O-N 3.48Å; I182-V185 PolarHBondContact O-N 3.23Å; I182-V185 VanDerWaalsContact O-N 3.16Å; I182-L186 HydrophobicContact CG2-CD1 3.72Å; I182-L186 HydrophobicContact CG2-CG 4.08Å; I182-L186 WeakPolarHBondContact O-CB 3.37Å; I182-L186 VanDerWaalsContact O-CG 3.3Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 2.81Å; I182-L354 HydrophobicContact CG2-CD2 4.43Å; I182-V363 HydrophobicContact CG2-CB 4.49Å; I182-V363 HydrophobicContact CG2-CG2 4.03Å; I182-F365 HydrophobicContact CD1-CD2 3.72Å; I182-F365 HydrophobicContact CD1-CE2 4.47Å
183M97.2Very high93.7Very high3 Ų335 Ų352%0.01519%0.187CC..Hα-helixtrans-60.9-36.2177.3-65.2-53.5-68.700112.9I159 D161 I166 Y168 W179 K180 R181 S187I159-M183 HydrophobicContact CG2-CB 4.25Å; I159-M183 HydrophobicContact CG2-CE 3.94Å; I159-M183 HydrophobicContact CG2-CG 4.29Å; D161-M183 HydrophobicContact CB-CE 3.67Å; I166-M183 HydrophobicContact CB-CE 4.41Å; I166-M183 HydrophobicContact CG2-CE 3.91Å; I166-M183 HydrophobicContact CG2-SD 4.12Å; Y168-M183 HydrophobicContact CD1-CG 3.89Å; Y168-M183 HydrophobicContact CG-CG 4.44Å; W179-M183 WeakPolarHBondContact O-CG 3.35Å; W179-M183 PolarHBondContact O-N 2.88Å; K180-M183 PolarHBondContact O-N 3.32Å; R181-M183 VanDerWaalsContact C-N 3.31Å; R181-M183 PolarHBondContact O-N 3.43Å; M183-S187 VanDerWaalsContact O-CB 3.29Å; M183-S187 WeakPolarHBondContact O-CB 3.2Å; M183-S187 PolarHBondContact O-N 3.13Å; M183-S187 PolarHBondContact O-OG 2.99Å
184I96.2Very high93.4Very high1 Ų136.7 Ų36.71%0.00521%0.213CC..Hα-helixtrans-65.4-44.8174.7-70.6163.8000110.9K180 R181 I182 S187 E188 S189 L190 I203 M213K180-I184 WeakPolarHBondContact O-CG1 3.02Å; K180-I184 PolarHBondContact O-N 3.43Å; R181-I184 WeakPolarHBondContact O-CB 3.43Å; R181-I184 PolarHBondContact O-N 3.42Å; R181-I184 VanDerWaalsContact O-N 3.14Å; I182-I184 VanDerWaalsContact C-N 3.3Å; I182-I184 PolarHBondContact O-N 3.48Å; I184-S187 PolarHBondContact O-OG 3.08Å; I184-E188 PolarHBondContact O-N 2.59Å; I184-E188 VanDerWaalsContact O-N 3.12Å; I184-S189 PolarHBondContact O-N 3.31Å; I184-L190 HydrophobicContact CG2-CB 3.55Å; I184-L190 HydrophobicContact CG2-CD2 4.44Å; I184-I203 HydrophobicContact CB-CD1 3.9Å; I184-I203 HydrophobicContact CD1-CG2 4.18Å; I184-I203 HydrophobicContact CG2-CD1 3.65Å; I184-M213 HydrophobicContact CD1-CB 4.06Å; I184-M213 HydrophobicContact CG1-CB 4.21Å
185V95.5Very high93.1Very high0 Ų039.2 Ų39.20%023%0.234CC..Hα-helixtrans-64-46.4177.5174.10000111.1R181 I182 E188 P200 I203 V363R181-V185 PolarHBondContact O-N 3.17Å; I182-V185 PolarHBondContact O-N 3.23Å; I182-V185 VanDerWaalsContact O-N 3.16Å; V185-E188 PolarHBondContact O-N 3.38Å; V185-P200 HydrophobicContact CG2-CB 4.46Å; V185-P200 HydrophobicContact CG2-CG 4.1Å; V185-I203 HydrophobicContact CG2-CD1 3.85Å; V185-V363 HydrophobicContact CB-CG1 3.92Å; V185-V363 HydrophobicContact CG1-CG1 3.43Å; V185-V363 VanDerWaalsContact CG1-CG1 3.43Å
186L94.6Very high93.1Very high4 Ų439.5 Ų39.52%0.02123%0.234CC..Hα-helixtrans-64.8-43.7-179.4-68.7179.9000112.5H164 I166 I182 E188 V359 V362 V363H164-L186 PolarHBondContact CE1-O 2.86Å; I166-L186 HydrophobicContact CD1-CD1 3.92Å; I182-L186 HydrophobicContact CG2-CD1 3.72Å; I182-L186 HydrophobicContact CG2-CG 4.08Å; I182-L186 WeakPolarHBondContact O-CB 3.37Å; I182-L186 VanDerWaalsContact O-CG 3.3Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 2.81Å; L186-E188 PolarHBondContact O-N 3.44Å; L186-V359 HydrophobicContact CD1-CG2 4.36Å; L186-V359 HydrophobicContact CD2-CB 3.88Å; L186-V359 HydrophobicContact CD2-CG1 3.94Å; L186-V359 HydrophobicContact CD2-CG2 4.28Å; L186-V362 HydrophobicContact CD2-CG1 4.29Å; L186-V363 HydrophobicContact CD2-CG1 4.19Å; L186-V363 HydrophobicContact CD2-CG2 3.89Å; L186-V363 HydrophobicContact CG-CG2 4.4Å
187S93.5Very high93Very high37 Ų3740 Ų4026%0.25924%0.235SC..Hα-helixtrans-73.4-10.3177.660.60000113.3M183 I184 S189M183-S187 VanDerWaalsContact O-CB 3.29Å; M183-S187 WeakPolarHBondContact O-CB 3.2Å; M183-S187 PolarHBondContact O-N 3.13Å; M183-S187 PolarHBondContact O-OG 2.99Å; I184-S187 PolarHBondContact O-OG 3.08Å; S187-S189 PolarHBondContact O-N 2.95Å; S187-S189 WeakPolarHBondContact OG-CB 3.29Å; S187-S189 PolarHBondContact OG-OG 3.46Å
188E93.3Very high92.9Very high36 Ų3642.6 Ų42.617%0.16824%0.24CC..THydrogen-bonded Turntrans53.330.9-172.2-61.3-171.7155.600112.2R163 I184 V185 L186 L190 P196 R198R163-E188 IonicContact CZ-OE2 2.72Å; R163-E188 VanDerWaalsContact CZ-OE2 3.28Å; R163-E188 IonicContact NH1-OE1 3.22Å; R163-E188 IonicContact NH1-OE2 3.75Å; R163-E188 PolarHBondContact NH1-OE2 2.83Å; R163-E188 IonicContact NH2-OE2 3.84Å; R163-E188 PolarHBondContact NH2-OE2 3.09Å; I184-E188 PolarHBondContact O-N 2.59Å; I184-E188 VanDerWaalsContact O-N 3.12Å; V185-E188 PolarHBondContact O-N 3.38Å; L186-E188 PolarHBondContact O-N 3.44Å; E188-L190 VanDerWaalsContact C-N 3.29Å; E188-L190 PolarHBondContact O-N 3.32Å; E188-P196 HydrophobicContact CB-CB 3.84Å; E188-P196 HydrophobicContact CB-CG 4.08Å; E188-P196 HydrophobicContact CG-CB 3.75Å; E188-P196 HydrophobicContact CG-CG 4.05Å; E188-R198 IonicContact OE1-CZ 3.21Å; E188-R198 IonicContact OE1-NH1 2.79Å; E188-R198 PolarHBondContact OE1-NH1 2.92Å; E188-R198 IonicContact OE1-NH2 2.79Å; E188-R198 PolarHBondContact OE1-NH2 3.29Å
189S91.2Very high92.8Very high50 Ų5045.4 Ų45.435%0.3525%0.254SS..  trans-75.1-17.9-173.567.40000113.7I184 S187 M213I184-S189 PolarHBondContact O-N 3.31Å; S187-S189 PolarHBondContact O-N 2.95Å; S187-S189 WeakPolarHBondContact OG-CB 3.29Å; S187-S189 PolarHBondContact OG-OG 3.46Å; S189-M213 PolarHBondContact OG-O 3.35Å
190L92.4Very high92.6Very high31 Ų3145.8 Ų45.816%0.16226%0.257CS..  trans-108.6120174.6-177.364.3000110.2I184 E188 Q197 I203 L207I184-L190 HydrophobicContact CG2-CB 3.55Å; I184-L190 HydrophobicContact CG2-CD2 4.44Å; E188-L190 VanDerWaalsContact C-N 3.29Å; E188-L190 PolarHBondContact O-N 3.32Å; L190-Q197 HydrophobicContact CB-CB 4.37Å; L190-Q197 HydrophobicContact CD2-CB 4.16Å; L190-Q197 HydrophobicContact CD2-CG 4.37Å; L190-Q197 HydrophobicContact CG-CB 4.29Å; L190-Q197 PolarHBondContact O-N 3.13Å; L190-I203 HydrophobicContact CD2-CG1 4.11Å; L190-I203 HydrophobicContact CD2-CG2 4.25Å; L190-L207 HydrophobicContact CD1-CD1 4.19Å; L190-L207 HydrophobicContact CD2-CD1 4.38Å
191Q90.4Very high92.3Very high138 Ų13850.6 Ų50.665%0.64528%0.283SS*.EExtended strand (participates in β ladder)trans-102.3137.4172.4-63.8-177-1100110A195Q191-A195 CarbonylContact C-O 3.52Å; Q191-A195 VanDerWaalsContact CA-O 3.32Å; Q191-A195 WeakPolarHBondContact CA-O 3.28Å
192Q85.1Confident92.2Very high105 Ų10551.2 Ų51.249%0.49130%0.296SS..EExtended strand (participates in β ladder)trans-125.8120.7171.9-174.6173.5-18.100107.5G194 A195Q192-G194 PolarHBondContact O-N 3.02Å; Q192-A195 PolarHBondContact N-O 2.88Å; Q192-A195 PolarHBondContact O-N 3.44Å; Q192-A195 VanDerWaalsContact O-O 3.06Å
193D86.6Confident92Very high160 Ų16051.3 Ų51.386%0.85630%0.296SS*.THydrogen-bonded Turntrans52.338.5-177.9-53.9-44.7000114.1A195D193-A195 VanDerWaalsContact C-N 3.26Å; D193-A195 PolarHBondContact O-N 3.44Å
194G88.6Confident91.8Very high67 Ų6754 Ų5469%0.69131%0.314SS*.THydrogen-bonded Turntrans78.71.2-179.600000115Q192Q192-G194 PolarHBondContact O-N 3.02Å
195A90.3Very high91.3Very high52 Ų5260.5 Ų60.543%0.4334%0.338SS..EExtended strand (participates in β ladder)trans-113.9147.3176.200000111.7Q191 Q192 D193 Q197Q191-A195 CarbonylContact C-O 3.52Å; Q191-A195 VanDerWaalsContact CA-O 3.32Å; Q191-A195 WeakPolarHBondContact CA-O 3.28Å; Q192-A195 PolarHBondContact N-O 2.88Å; Q192-A195 PolarHBondContact O-N 3.44Å; Q192-A195 VanDerWaalsContact O-O 3.06Å; D193-A195 VanDerWaalsContact C-N 3.26Å; D193-A195 PolarHBondContact O-N 3.44Å; A195-Q197 PolarHBondContact O-N 3.22Å
196P91.3Very high91Very high32 Ų3266.1 Ų66.121%0.20837%0.368CS..EExtended strand (participates in β ladder)trans-61.8136.4173.4-23.434.1000112E188 R198E188-P196 HydrophobicContact CB-CB 3.84Å; E188-P196 HydrophobicContact CB-CG 4.08Å; E188-P196 HydrophobicContact CG-CB 3.75Å; E188-P196 HydrophobicContact CG-CG 4.05Å; P196-R198 PolarHBondContact O-N 2.85Å
197Q92.7Very high90.9Very high22 Ų2268.1 Ų68.110%0.10338%0.379CS..  trans-60132.2169.9177.557-84.600110L190 A195 I203L190-Q197 HydrophobicContact CB-CB 4.37Å; L190-Q197 HydrophobicContact CD2-CB 4.16Å; L190-Q197 HydrophobicContact CD2-CG 4.37Å; L190-Q197 HydrophobicContact CG-CB 4.29Å; L190-Q197 PolarHBondContact O-N 3.13Å; A195-Q197 PolarHBondContact O-N 3.22Å; Q197-I203 HydrophobicContact CG-CD1 4.22Å; Q197-I203 HydrophobicContact CG-CG1 3.77Å
198R91.2Very high90.9Very high89 Ų8966.3 Ų66.334%0.33637%0.366SS..  trans-110.9-28.2-177.9-61.7-61.5-179.9-169.6-9.3113.4R105 E188 P196 P200R105-R198 VanDerWaalsContact NH1-NH2 3.18Å; E188-R198 IonicContact OE1-CZ 3.21Å; E188-R198 IonicContact OE1-NH1 2.79Å; E188-R198 PolarHBondContact OE1-NH1 2.92Å; E188-R198 IonicContact OE1-NH2 2.79Å; E188-R198 PolarHBondContact OE1-NH2 3.29Å; P196-R198 PolarHBondContact O-N 2.85Å; R198-P200 WeakPolarHBondContact O-CD 3.34Å
199D91.8Very high90.8Very high76 Ų7668.4 Ų68.441%0.40638%0.376SS..  trans-91.9114.8178.617711.4000110.4L201 A202D199-L201 PolarHBondContact O-N 3.14Å; D199-L201 WeakPolarHBondContact OD1-CB 3.22Å; D199-L201 PolarHBondContact OD1-N 3.3Å; D199-A202 HydrophobicContact CB-CB 3.91Å; D199-A202 PolarHBondContact O-N 3.25Å; D199-A202 PolarHBondContact OD2-N 2.68Å
200P93.1Very high90.8Very high11 Ų1168.9 Ų68.97%0.07138%0.375CS..SBendtrans-57.3-36.3174.6-23.534.1000113.1R181 V185 R198 I203 V363 P366R181-P200 HydrophobicContact CB-CB 3.83Å; R181-P200 WeakPolarHBondContact CD-O 3.28Å; R181-P200 WeakPolarHBondContact CG-O 3.09Å; R181-P200 PolarHBondContact NE-O 2.95Å; V185-P200 HydrophobicContact CG2-CB 4.46Å; V185-P200 HydrophobicContact CG2-CG 4.1Å; R198-P200 WeakPolarHBondContact O-CD 3.34Å; P200-I203 WeakPolarHBondContact O-CB 3.14Å; P200-I203 PolarHBondContact O-N 2.71Å; P200-V363 HydrophobicContact CG-CG1 4.48Å; P200-P366 HydrophobicContact CB-CG 3.91Å
201L92Very high90.5Very high112 Ų11271.1 Ų71.159%0.58639%0.393SS*.THydrogen-bonded Turntrans-74-26.4-175.9-73.4177.1000113D199 I203 P366D199-L201 PolarHBondContact O-N 3.14Å; D199-L201 WeakPolarHBondContact OD1-CB 3.22Å; D199-L201 PolarHBondContact OD1-N 3.3Å; L201-I203 PolarHBondContact O-N 3.16Å; L201-P366 HydrophobicContact CD1-CB 4.47Å; L201-P366 HydrophobicContact CD2-CB 3.66Å; L201-P366 HydrophobicContact CD2-CG 4.28Å; L201-P366 HydrophobicContact CG-CB 4Å; L201-P366 HydrophobicContact CG-CG 4.39Å
202A92.6Very high90.5Very high49 Ų4968.8 Ų68.841%0.40539%0.392SS..THydrogen-bonded Turntrans-67.6-14.317300000113.3D199 P204D199-A202 HydrophobicContact CB-CB 3.91Å; D199-A202 PolarHBondContact O-N 3.25Å; D199-A202 PolarHBondContact OD2-N 2.68Å; A202-P204 VanDerWaalsContact O-CD 3.23Å; A202-P204 WeakPolarHBondContact O-CD 3.15Å
203I93.1Very high90.9Very high2 Ų265.7 Ų65.71%0.0138%0.378CS..SBendtrans-77.4116.5-179.7-56.7171.6000110.8R181 I184 V185 L190 Q197 P200 L201 L207 V208R181-I203 HydrophobicContact CB-CD1 4.12Å; R181-I203 HydrophobicContact CG-CB 4.13Å; R181-I203 HydrophobicContact CG-CD1 4.35Å; R181-I203 HydrophobicContact CG-CG2 4.46Å; R181-I203 PolarHBondContact NE-O 2.89Å; R181-I203 PolarHBondContact NH2-O 3.4Å; I184-I203 HydrophobicContact CB-CD1 3.9Å; I184-I203 HydrophobicContact CD1-CG2 4.18Å; I184-I203 HydrophobicContact CG2-CD1 3.65Å; V185-I203 HydrophobicContact CG2-CD1 3.85Å; L190-I203 HydrophobicContact CD2-CG1 4.11Å; L190-I203 HydrophobicContact CD2-CG2 4.25Å; Q197-I203 HydrophobicContact CG-CD1 4.22Å; Q197-I203 HydrophobicContact CG-CG1 3.77Å; P200-I203 WeakPolarHBondContact O-CB 3.14Å; P200-I203 PolarHBondContact O-N 2.71Å; L201-I203 PolarHBondContact O-N 3.16Å; I203-L207 HydrophobicContact CG2-CB 4.37Å; I203-V208 HydrophobicContact CB-CG2 4.39Å; I203-V208 HydrophobicContact CG2-CG2 3.71Å
204P91.8Very high91.3Very high60 Ų6058.5 Ų58.539%0.3934%0.339SS..  trans-60146.2178.5-24.635.9000113.4A202 D206 L207 V208A202-P204 VanDerWaalsContact O-CD 3.23Å; A202-P204 WeakPolarHBondContact O-CD 3.15Å; P204-D206 VanDerWaalsContact C-N 3.33Å; P204-D206 WeakPolarHBondContact CB-OD1 3.3Å; P204-D206 PolarHBondContact O-N 3.47Å; P204-L207 HydrophobicContact CB-CG 4.49Å; P204-L207 HydrophobicContact CG-CD1 4.35Å; P204-L207 PolarHBondContact O-N 2.92Å; P204-L207 VanDerWaalsContact O-N 3.15Å; P204-V208 WeakPolarHBondContact O-CG2 3.32Å; P204-V208 PolarHBondContact O-N 3.44Å; P204-V208 VanDerWaalsContact O-N 3.1Å
205R87.6Confident91.6Very high138 Ų13857.9 Ų57.952%0.52132%0.317SS..Hα-helixtrans-62.6-36.9-173.1-176.9179.8179-137.7-1.8113.3L207 V208 H209R205-L207 VanDerWaalsContact C-N 3.31Å; R205-V208 PolarHBondContact O-N 2.97Å; R205-H209 PolarHBondContact O-CD2 3.27Å; R205-H209 VanDerWaalsContact O-CD2 3.27Å; R205-H209 PolarHBondContact O-N 2.8Å
206D88.4Confident91.9Very high117 Ų11755.7 Ų55.763%0.62630%0.298SS*.Hα-helixtrans-60.9-40.1176.356.5-58.2000111.5P204 N210P204-D206 VanDerWaalsContact C-N 3.33Å; P204-D206 WeakPolarHBondContact CB-OD1 3.3Å; P204-D206 PolarHBondContact O-N 3.47Å; D206-N210 PolarHBondContact O-N 3.42Å
207L92.2Very high92.2Very high46 Ų4654.1 Ų54.124%0.24129%0.288CS..Hα-helixtrans-71.4-37.5174.6-62.4-173.3000112.6L190 I203 P204 R205 H209 N210 M213L190-L207 HydrophobicContact CD1-CD1 4.19Å; L190-L207 HydrophobicContact CD2-CD1 4.38Å; I203-L207 HydrophobicContact CG2-CB 4.37Å; P204-L207 HydrophobicContact CB-CG 4.49Å; P204-L207 HydrophobicContact CG-CD1 4.35Å; P204-L207 PolarHBondContact O-N 2.92Å; P204-L207 VanDerWaalsContact O-N 3.15Å; R205-L207 VanDerWaalsContact C-N 3.31Å; L207-H209 PolarHBondContact O-N 2.03Å; L207-N210 WeakPolarHBondContact O-CB 3.46Å; L207-N210 PolarHBondContact O-N 2.85Å; L207-M213 WeakPolarHBondContact O-CG 3.49Å
208V93.4Very high92.4Very high0 Ų055.6 Ų55.60%030%0.297CS..Hα-helixtrans-56.7-35.6178.7174.90000112.5S177 K180 R181 I203 P204 R205 H214S177-V208 WeakPolarHBondContact O-CG1 3.46Å; K180-V208 HydrophobicContact CB-CG1 3.66Å; K180-V208 HydrophobicContact CD-CG1 4.4Å; R181-V208 HydrophobicContact CG-CG1 4.33Å; R181-V208 HydrophobicContact CG-CG2 3.4Å; R181-V208 VanDerWaalsContact CG-CG2 3.4Å; I203-V208 HydrophobicContact CB-CG2 4.39Å; I203-V208 HydrophobicContact CG2-CG2 3.71Å; P204-V208 WeakPolarHBondContact O-CG2 3.32Å; P204-V208 PolarHBondContact O-N 3.44Å; P204-V208 VanDerWaalsContact O-N 3.1Å; R205-V208 PolarHBondContact O-N 2.97Å; V208-H214 PolarHBondContact O-NE2 3.03Å
209H90.9Very high92.6Very high80 Ų8053.6 Ų53.637%0.3729%0.291SS..THydrogen-bonded Turntrans-97.7-1.7-179.2-63.7-66.9000113.5S177 R205 L207 S211S177-H209 PolarHBondContact OG-CE1 2.96Å; S177-H209 PolarHBondContact OG-NE2 2.81Å; R205-H209 PolarHBondContact O-CD2 3.27Å; R205-H209 VanDerWaalsContact O-CD2 3.27Å; R205-H209 PolarHBondContact O-N 2.8Å; L207-H209 PolarHBondContact O-N 2.03Å; H209-S211 PolarHBondContact O-N 3.25Å
210N91.6Very high92.8Very high60 Ų6050 Ų5032%0.32127%0.271SS..  trans-68.2122175.9-174.3-28.7000109.6D206 L207 S212 M213 H214D206-N210 PolarHBondContact O-N 3.42Å; L207-N210 WeakPolarHBondContact O-CB 3.46Å; L207-N210 PolarHBondContact O-N 2.85Å; N210-S212 PolarHBondContact O-N 2.99Å; N210-S212 WeakPolarHBondContact OD1-CB 3.02Å; N210-S212 PolarHBondContact OD1-N 3.34Å; N210-M213 HydrophobicContact CB-CG 4.01Å; N210-M213 PolarHBondContact O-N 2.81Å; N210-M213 VanDerWaalsContact O-N 3.14Å; N210-H214 PolarHBondContact O-CD2 3.08Å
211S86.8Confident92.8Very high77 Ų7755.2 Ų55.254%0.53829%0.29SS..G310 helixtrans-58.6-36.7-17865.20000111.1H209 M213 H214 K219H209-S211 PolarHBondContact O-N 3.25Å; S211-M213 PolarHBondContact O-N 3.5Å; S211-H214 PolarHBondContact O-N 2.99Å; S211-H214 VanDerWaalsContact O-N 3.16Å; S211-K219 PolarHBondContact O-NZ 3.33Å
212S90Very high92.8Very high89 Ų8958.7 Ų58.762%0.62230%0.3SS*.G310 helixtrans-62.1-23.1-179.1-62.10000114.2N210 H214N210-S212 PolarHBondContact O-N 2.99Å; N210-S212 WeakPolarHBondContact OD1-CB 3.02Å; N210-S212 PolarHBondContact OD1-N 3.34Å; S212-H214 VanDerWaalsContact C-N 3.29Å; S212-H214 PolarHBondContact O-N 3.36Å
213M92.8Very high92.8Very high41 Ų4163.5 Ų63.520%0.20231%0.308CS..G310 helixtrans-75.1-17.1178.7-64.8-64.997.400113.7I184 S189 L207 N210 S211I184-M213 HydrophobicContact CD1-CB 4.06Å; I184-M213 HydrophobicContact CG1-CB 4.21Å; S189-M213 PolarHBondContact OG-O 3.35Å; L207-M213 WeakPolarHBondContact O-CG 3.49Å; N210-M213 HydrophobicContact CB-CG 4.01Å; N210-M213 PolarHBondContact O-N 2.81Å; N210-M213 VanDerWaalsContact O-N 3.14Å; S211-M213 PolarHBondContact O-N 3.5Å
214H94.6Very high92.9Very high8 Ų866.2 Ų66.24%0.03732%0.318CS..SBendtrans-119121.7-173.6-58.5-70.5000111I159 K180 V208 N210 S211 S212 T216 K219I159-H214 HydrophobicContact CD1-CB 4.07Å; I159-H214 HydrophobicContact CG1-CB 4.03Å; I159-H214 HydrophobicContact CG2-CB 4.21Å; K180-H214 PolarHBondContact O-CE1 2.91Å; V208-H214 PolarHBondContact O-NE2 3.03Å; N210-H214 PolarHBondContact O-CD2 3.08Å; S211-H214 PolarHBondContact O-N 2.99Å; S211-H214 VanDerWaalsContact O-N 3.16Å; S212-H214 VanDerWaalsContact C-N 3.29Å; S212-H214 PolarHBondContact O-N 3.36Å; H214-T216 HydrophobicContact CB-CG2 4.32Å; H214-T216 PolarHBondContact O-N 3.18Å; H214-K219 WeakPolarHBondContact O-CE 3.18Å; H214-K219 PolarHBondContact O-NZ 2.91Å
215F95.5Very high93Very high55 Ų5564.6 Ų64.624%0.24131%0.313CS..  trans-83.7104.1173.7-169.6-127.9000109.8V160 K219 F220 Y224V160-F215 PolarHBondContact N-O 3.47Å; F215-K219 HydrophobicContact CD2-CB 4.15Å; F215-K219 HydrophobicContact CD2-CD 4.28Å; F215-K219 HydrophobicContact CE2-CB 3.97Å; F215-F220 HydrophobicContact CD1-CD1 4.49Å; F215-F220 AromaticContact CD1-CE1 3.73Å; F215-F220 HydrophobicContact CD1-CE1 3.73Å; F215-F220 HydrophobicContact CD1-CZ 4.45Å; F215-F220 AromaticContact CE1-CD1 3.74Å; F215-F220 HydrophobicContact CE1-CD1 3.74Å; F215-F220 AromaticContact CE1-CE1 3.14Å; F215-F220 HydrophobicContact CE1-CE1 3.14Å; F215-F220 AromaticContact CE1-CZ 3.75Å; F215-F220 HydrophobicContact CE1-CZ 3.75Å; F215-F220 HydrophobicContact CE2-CD1 4.29Å; F215-F220 HydrophobicContact CE2-CE1 4.42Å; F215-F220 AromaticContact CZ-CD1 3.6Å; F215-F220 HydrophobicContact CZ-CD1 3.6Å; F215-F220 AromaticContact CZ-CE1 3.54Å; F215-F220 HydrophobicContact CZ-CE1 3.54Å; F215-F220 HydrophobicContact CZ-CG 4.47Å; F215-F220 HydrophobicContact CZ-CZ 4.36Å; F215-Y224 HydrophobicContact CE1-CE2 4.33Å; F215-Y224 AromaticContact CZ-CE2 3.93Å; F215-Y224 HydrophobicContact CZ-CE2 3.93Å
216T97.2Very high93.3Very high5 Ų566.2 Ų66.23%0.03132%0.324CS..BIsolated β-bridgetrans-101.9157.5-17662.90000111.8D156 L158 I159 H214 N218 K219 F220D156-T216 WeakPolarHBondContact O-CG2 3.25Å; D156-T216 PolarHBondContact OD1-OG1 2.94Å; L158-T216 CarbonylContact O-C 3.59Å; L158-T216 WeakPolarHBondContact O-CA 2.94Å; I159-T216 HydrophobicContact CG1-CG2 4Å; H214-T216 HydrophobicContact CB-CG2 4.32Å; H214-T216 PolarHBondContact O-N 3.18Å; T216-N218 PolarHBondContact O-N 2.93Å; T216-K219 WeakPolarHBondContact O-CB 3.37Å; T216-K219 PolarHBondContact O-N 2.99Å; T216-F220 WeakPolarHBondContact O-CD1 3.29Å
217F97.4Very high93.6Very high0 Ų066 Ų660%032%0.318CS..Hα-helixtrans-56-35.7173.6-84.9-2.8000113.2F147 L155 L158 V160 I167 K219 F220 M232 K235 L236F147-F217 HydrophobicContact CZ-CD2 4.25Å; F147-F217 HydrophobicContact CZ-CE2 4.3Å; L155-F217 HydrophobicContact CB-CB 3.78Å; L155-F217 HydrophobicContact CD1-CB 4.42Å; L158-F217 HydrophobicContact CB-CB 4.2Å; L158-F217 HydrophobicContact CB-CD2 3.96Å; L158-F217 HydrophobicContact CB-CG 4.11Å; L158-F217 HydrophobicContact CD1-CD2 3.49Å; L158-F217 VanDerWaalsContact CD1-CD2 3.49Å; L158-F217 HydrophobicContact CD1-CE2 4.07Å; L158-F217 HydrophobicContact CD1-CG 4.34Å; L158-F217 HydrophobicContact CG-CD2 4.36Å; L158-F217 PolarHBondContact O-N 2.95Å; V160-F217 HydrophobicContact CG2-CD1 3.27Å; V160-F217 HydrophobicContact CG2-CE1 3.3Å; V160-F217 HydrophobicContact CG2-CG 4.3Å; V160-F217 HydrophobicContact CG2-CZ 4.33Å; I167-F217 HydrophobicContact CD1-CE1 4.36Å; I167-F217 HydrophobicContact CD1-CE2 4.35Å; I167-F217 HydrophobicContact CD1-CZ 3.63Å; I167-F217 HydrophobicContact CG1-CZ 4.44Å; F217-K219 PolarHBondContact O-N 3.26Å; F217-F220 HydrophobicContact CD1-CD1 4.07Å; F217-F220 HydrophobicContact CD1-CD2 4.45Å; F217-F220 AromaticContact CD1-CE1 3.76Å; F217-F220 HydrophobicContact CD1-CE1 3.76Å; F217-F220 HydrophobicContact CD1-CE2 4.18Å; F217-F220 HydrophobicContact CD1-CG 4.41Å; F217-F220 AromaticContact CD1-CZ 3.83Å; F217-F220 HydrophobicContact CD1-CZ 3.83Å; F217-F220 HydrophobicContact CE1-CE1 4.28Å; F217-F220 HydrophobicContact CE1-CE2 4.15Å; F217-F220 AromaticContact CE1-CZ 3.89Å; F217-F220 HydrophobicContact CE1-CZ 3.89Å; F217-F220 VanDerWaalsContact O-CB 3.32Å; F217-F220 WeakPolarHBondContact O-CB 3.35Å; F217-F220 PolarHBondContact O-N 3.07Å; F217-M232 HydrophobicContact CB-CE 4.04Å; F217-M232 HydrophobicContact CB-CG 4.36Å; F217-M232 HydrophobicContact CB-SD 4.36Å; F217-M232 HydrophobicContact CD1-CG 3.91Å; F217-M232 HydrophobicContact CD2-CB 4.24Å; F217-M232 HydrophobicContact CD2-CG 3.95Å; F217-M232 HydrophobicContact CD2-SD 4.37Å; F217-M232 HydrophobicContact CE1-CB 4.36Å; F217-M232 HydrophobicContact CE1-CG 4.12Å; F217-M232 HydrophobicContact CE2-CB 4Å; F217-M232 HydrophobicContact CE2-CG 4.17Å; F217-M232 HydrophobicContact CG-CE 4.5Å; F217-M232 HydrophobicContact CG-CG 3.83Å; F217-M232 HydrophobicContact CG-SD 4.35Å; F217-M232 HydrophobicContact CZ-CB 4.06Å; F217-M232 HydrophobicContact CZ-CG 4.25Å; F217-M232 WeakPolarHBondContact O-CE 3.44Å; F217-K235 HydrophobicContact CE1-CB 4.47Å; F217-K235 HydrophobicContact CE1-CD 4.38Å; F217-K235 HydrophobicContact CZ-CB 4.33Å; F217-L236 HydrophobicContact CE2-CD1 4.12Å; F217-L236 HydrophobicContact CE2-CD2 3.91Å; F217-L236 HydrophobicContact CE2-CG 3.81Å; F217-L236 HydrophobicContact CZ-CD2 4.34Å; F217-L236 HydrophobicContact CZ-CG 4.09Å
218N96.2Very high93.8Very high52 Ų5263.9 Ų63.928%0.27831%0.306SS..Hα-helixtrans-52.1-32.9172.4-179.738.4000113.2N152 L155 D156 T216N152-N218 WeakPolarHBondContact O-CB 3.49Å; N152-N218 PolarHBondContact O-OD1 3.17Å; N152-N218 VanDerWaalsContact O-OD1 3.13Å; L155-N218 PolarHBondContact O-N 3.2Å; D156-N218 HydrophobicContact CB-CB 3.95Å; D156-N218 WeakPolarHBondContact OD1-CB 3.31Å; D156-N218 PolarHBondContact OD1-ND2 2.93Å; T216-N218 PolarHBondContact O-N 2.93Å
219K95.6Very high93.9Very high48 Ų4865.9 Ų65.921%0.20932%0.315CS..Hα-helixtrans-80.4-13.5179.3-61.6177.8-178.8-174.60114.4S211 H214 F215 T216 F217 W221 K222 R223S211-K219 PolarHBondContact O-NZ 3.33Å; H214-K219 WeakPolarHBondContact O-CE 3.18Å; H214-K219 PolarHBondContact O-NZ 2.91Å; F215-K219 HydrophobicContact CD2-CB 4.15Å; F215-K219 HydrophobicContact CD2-CD 4.28Å; F215-K219 HydrophobicContact CE2-CB 3.97Å; T216-K219 WeakPolarHBondContact O-CB 3.37Å; T216-K219 PolarHBondContact O-N 2.99Å; F217-K219 PolarHBondContact O-N 3.26Å; K219-W221 PolarHBondContact O-N 3.29Å; K219-K222 PolarHBondContact O-N 3.01Å; K219-R223 PolarHBondContact O-N 2.95Å
220F95.9Very high94.2Very high0 Ų065.7 Ų65.70%031%0.314CS..Hα-helixtrans-63-34.2-178.9-85.644.8000111.6V160 F215 T216 F217 K222 R223 Y224 A228 L231 M232 K235V160-F220 HydrophobicContact CB-CE1 4.38Å; V160-F220 HydrophobicContact CB-CZ 4.47Å; V160-F220 HydrophobicContact CG1-CZ 4.31Å; V160-F220 HydrophobicContact CG2-CE1 3.9Å; V160-F220 HydrophobicContact CG2-CZ 4.08Å; F215-F220 HydrophobicContact CD1-CD1 4.49Å; F215-F220 AromaticContact CD1-CE1 3.73Å; F215-F220 HydrophobicContact CD1-CE1 3.73Å; F215-F220 HydrophobicContact CD1-CZ 4.45Å; F215-F220 AromaticContact CE1-CD1 3.74Å; F215-F220 HydrophobicContact CE1-CD1 3.74Å; F215-F220 AromaticContact CE1-CE1 3.14Å; F215-F220 HydrophobicContact CE1-CE1 3.14Å; F215-F220 AromaticContact CE1-CZ 3.75Å; F215-F220 HydrophobicContact CE1-CZ 3.75Å; F215-F220 HydrophobicContact CE2-CD1 4.29Å; F215-F220 HydrophobicContact CE2-CE1 4.42Å; F215-F220 AromaticContact CZ-CD1 3.6Å; F215-F220 HydrophobicContact CZ-CD1 3.6Å; F215-F220 AromaticContact CZ-CE1 3.54Å; F215-F220 HydrophobicContact CZ-CE1 3.54Å; F215-F220 HydrophobicContact CZ-CG 4.47Å; F215-F220 HydrophobicContact CZ-CZ 4.36Å; T216-F220 WeakPolarHBondContact O-CD1 3.29Å; F217-F220 HydrophobicContact CD1-CD1 4.07Å; F217-F220 HydrophobicContact CD1-CD2 4.45Å; F217-F220 AromaticContact CD1-CE1 3.76Å; F217-F220 HydrophobicContact CD1-CE1 3.76Å; F217-F220 HydrophobicContact CD1-CE2 4.18Å; F217-F220 HydrophobicContact CD1-CG 4.41Å; F217-F220 AromaticContact CD1-CZ 3.83Å; F217-F220 HydrophobicContact CD1-CZ 3.83Å; F217-F220 HydrophobicContact CE1-CE1 4.28Å; F217-F220 HydrophobicContact CE1-CE2 4.15Å; F217-F220 AromaticContact CE1-CZ 3.89Å; F217-F220 HydrophobicContact CE1-CZ 3.89Å; F217-F220 VanDerWaalsContact O-CB 3.32Å; F217-F220 WeakPolarHBondContact O-CB 3.35Å; F217-F220 PolarHBondContact O-N 3.07Å; F220-K222 VanDerWaalsContact C-N 3.29Å; F220-K222 PolarHBondContact O-N 3.23Å; F220-R223 PolarHBondContact O-N 3.42Å; F220-R223 VanDerWaalsContact O-N 3.16Å; F220-Y224 HydrophobicContact CB-CD2 3.87Å; F220-Y224 HydrophobicContact CB-CE2 4.36Å; F220-Y224 HydrophobicContact CD1-CE2 4.26Å; F220-Y224 AromaticContact CD2-CD2 3.64Å; F220-Y224 HydrophobicContact CD2-CD2 3.64Å; F220-Y224 AromaticContact CD2-CE2 3.64Å; F220-Y224 HydrophobicContact CD2-CE2 3.64Å; F220-Y224 HydrophobicContact CE1-CE2 4.47Å; F220-Y224 HydrophobicContact CE2-CD2 4.3Å; F220-Y224 AromaticContact CE2-CE2 3.87Å; F220-Y224 HydrophobicContact CE2-CE2 3.87Å; F220-Y224 AromaticContact CG-CD2 3.8Å; F220-Y224 HydrophobicContact CG-CD2 3.8Å; F220-Y224 AromaticContact CG-CE2 3.84Å; F220-Y224 HydrophobicContact CG-CE2 3.84Å; F220-Y224 HydrophobicContact CZ-CE2 4.28Å; F220-Y224 WeakPolarHBondContact O-CB 3.43Å; F220-Y224 WeakPolarHBondContact O-CD2 3.3Å; F220-Y224 PolarHBondContact O-N 3.43Å; F220-A228 HydrophobicContact CB-CB 3.94Å; F220-L231 HydrophobicContact CD2-CB 4.36Å; F220-L231 HydrophobicContact CE2-CB 4.36Å; F220-M232 HydrophobicContact CB-CE 3.55Å; F220-M232 HydrophobicContact CD2-CG 3.96Å; F220-M232 HydrophobicContact CE2-CG 4.5Å; F220-M232 HydrophobicContact CG-CE 4.18Å; F220-M232 HydrophobicContact CG-CG 4.41Å; F220-K235 HydrophobicContact CE2-CD 3.68Å; F220-K235 HydrophobicContact CZ-CD 3.68Å
221W92.5Very high94.5Very high120 Ų12064.9 Ų64.946%0.45531%0.309SS..Hα-helixtrans-57.8-44.2176.7179.9-107.8000111.7K219 R223 G225 A228K219-W221 PolarHBondContact O-N 3.29Å; W221-R223 VanDerWaalsContact C-N 3.31Å; W221-R223 PolarHBondContact O-N 3.38Å; W221-G225 VanDerWaalsContact CE3-O 3.22Å; W221-G225 WeakPolarHBondContact CZ3-O 3.49Å; W221-G225 VanDerWaalsContact O-CA 3.29Å; W221-G225 WeakPolarHBondContact O-CA 3.47Å; W221-G225 PolarHBondContact O-N 3.46Å; W221-A228 HydrophobicContact CE3-CB 4.27Å
222K92.2Very high95Very high185 Ų18561.2 Ų61.280%0.80428%0.284SS*.Hα-helixtrans-64.8-33.8178-65.7-175.4177.9-177.40112.6K219 F220K219-K222 PolarHBondContact O-N 3.01Å; F220-K222 VanDerWaalsContact C-N 3.29Å; F220-K222 PolarHBondContact O-N 3.23Å
223R93.4Very high95.4Very high151 Ų15161.1 Ų61.157%0.5727%0.272SS*.Hα-helixtrans-88.2-38.3-176.4-172.3170.4-177.7162.51.4114K219 F220 W221K219-R223 PolarHBondContact O-N 2.95Å; F220-R223 PolarHBondContact O-N 3.42Å; F220-R223 VanDerWaalsContact O-N 3.16Å; W221-R223 VanDerWaalsContact C-N 3.31Å; W221-R223 PolarHBondContact O-N 3.38Å
224Y95Very high95.6Very high58 Ų5860.4 Ų60.423%0.22727%0.27CS..Hα-helixtrans-118.8-4.1-168.4-53.4-68.1000113.8F215 F220 K226 F227 L231F215-Y224 HydrophobicContact CE1-CE2 4.33Å; F215-Y224 AromaticContact CZ-CE2 3.93Å; F215-Y224 HydrophobicContact CZ-CE2 3.93Å; F220-Y224 HydrophobicContact CB-CD2 3.87Å; F220-Y224 HydrophobicContact CB-CE2 4.36Å; F220-Y224 HydrophobicContact CD1-CE2 4.26Å; F220-Y224 AromaticContact CD2-CD2 3.64Å; F220-Y224 HydrophobicContact CD2-CD2 3.64Å; F220-Y224 AromaticContact CD2-CE2 3.64Å; F220-Y224 HydrophobicContact CD2-CE2 3.64Å; F220-Y224 HydrophobicContact CE1-CE2 4.47Å; F220-Y224 HydrophobicContact CE2-CD2 4.3Å; F220-Y224 AromaticContact CE2-CE2 3.87Å; F220-Y224 HydrophobicContact CE2-CE2 3.87Å; F220-Y224 AromaticContact CG-CD2 3.8Å; F220-Y224 HydrophobicContact CG-CD2 3.8Å; F220-Y224 AromaticContact CG-CE2 3.84Å; F220-Y224 HydrophobicContact CG-CE2 3.84Å; F220-Y224 HydrophobicContact CZ-CE2 4.28Å; F220-Y224 WeakPolarHBondContact O-CB 3.43Å; F220-Y224 WeakPolarHBondContact O-CD2 3.3Å; F220-Y224 PolarHBondContact O-N 3.43Å; Y224-K226 PolarHBondContact O-N 3.18Å; Y224-F227 PolarHBondContact O-N 3.32Å; Y224-F227 VanDerWaalsContact O-N 3.16Å; Y224-L231 HydrophobicContact CD1-CD1 3.58Å; Y224-L231 HydrophobicContact CD2-CD1 3.88Å; Y224-L231 HydrophobicContact CE1-CD1 4.01Å; Y224-L231 HydrophobicContact CE2-CD1 4.29Å; Y224-L231 HydrophobicContact CG-CD1 3.5Å
225G94.4Very high95.8Very high27 Ų2761 Ų6128%0.27827%0.273SS..G310 helixtrans53.3-130.3179.200000112.4W221 F227 A228W221-G225 VanDerWaalsContact CE3-O 3.22Å; W221-G225 WeakPolarHBondContact CZ3-O 3.49Å; W221-G225 VanDerWaalsContact O-CA 3.29Å; W221-G225 WeakPolarHBondContact O-CA 3.47Å; W221-G225 PolarHBondContact O-N 3.46Å; G225-F227 PolarHBondContact O-N 3.16Å; G225-A228 WeakPolarHBondContact O-CB 3.33Å; G225-A228 PolarHBondContact O-N 3.33Å
226K93.3Very high96Very high172 Ų17259.6 Ų59.675%0.74827%0.267SS*.G310 helixtrans-57.4-21-178.669.1179.6-178179.50114.9Y224Y224-K226 PolarHBondContact O-N 3.18Å
227F95.3Very high96Very high113 Ų11368.3 Ų68.350%0.49631%0.305SS..G310 helixtrans-86.3-7.4179.4-61-73.1000113.5Y224 G225 K229 H230 L231Y224-F227 PolarHBondContact O-N 3.32Å; Y224-F227 VanDerWaalsContact O-N 3.16Å; G225-F227 PolarHBondContact O-N 3.16Å; F227-K229 PolarHBondContact O-N 2.79Å; F227-H230 PolarHBondContact O-N 3.09Å; F227-L231 PolarHBondContact O-N 2.82Å
228A96.1Very high96Very high1 Ų172.5 Ų72.51%0.00832%0.323CS..Hα-helixtrans-53.6-51.4-174.700000113.1F220 W221 G225 H230 L231 M232F220-A228 HydrophobicContact CB-CB 3.94Å; W221-A228 HydrophobicContact CE3-CB 4.27Å; G225-A228 WeakPolarHBondContact O-CB 3.33Å; G225-A228 PolarHBondContact O-N 3.33Å; A228-H230 PolarHBondContact O-N 2.99Å; A228-L231 PolarHBondContact O-N 3.02Å; A228-M232 HydrophobicContact CB-CE 4.32Å; A228-M232 VanDerWaalsContact O-CG 3.25Å; A228-M232 WeakPolarHBondContact O-CG 3.39Å; A228-M232 PolarHBondContact O-N 3.06Å
229K95.8Very high96.1Very high42 Ų4271.1 Ų71.118%0.18331%0.314CS..Hα-helixtrans-63.9-39.3-179.2-77.4-76.3-173.3170.70113F147 D148 I150 F227 M232 K233F147-K229 HydrophobicContact CE1-CD 4.25Å; F147-K229 PolarHBondContact O-NZ 3.31Å; D148-K229 PolarHBondContact O-NZ 3.36Å; I150-K229 PolarHBondContact O-NZ 3.18Å; F227-K229 PolarHBondContact O-N 2.79Å; K229-M232 HydrophobicContact CD-SD 3.99Å; K229-M232 PolarHBondContact O-N 3.37Å; K229-K233 WeakPolarHBondContact O-CG 3.39Å; K229-K233 PolarHBondContact O-N 2.95Å; K229-K233 VanDerWaalsContact O-N 3.08Å
230H96.4Very high96.2Very high76 Ų7670.9 Ų70.935%0.35232%0.317SS..Hα-helixtrans-62.4-47.8175.2175.779.1000110.9F227 A228 M232 K233 V234F227-H230 PolarHBondContact O-N 3.09Å; A228-H230 PolarHBondContact O-N 2.99Å; H230-M232 PolarHBondContact O-N 3.4Å; H230-K233 WeakPolarHBondContact O-CB 3.06Å; H230-K233 PolarHBondContact O-N 3.36Å; H230-V234 WeakPolarHBondContact O-CG2 3.29Å; H230-V234 PolarHBondContact O-N 3.33Å
231L97.4Very high96.4Very high42 Ų4271.5 Ų71.522%0.2232%0.319CS..Hα-helixtrans-62.5-39.5177.1-71175.1000112.8F220 Y224 F227 A228 K233 V234 K235F220-L231 HydrophobicContact CD2-CB 4.36Å; F220-L231 HydrophobicContact CE2-CB 4.36Å; Y224-L231 HydrophobicContact CD1-CD1 3.58Å; Y224-L231 HydrophobicContact CD2-CD1 3.88Å; Y224-L231 HydrophobicContact CE1-CD1 4.01Å; Y224-L231 HydrophobicContact CE2-CD1 4.29Å; Y224-L231 HydrophobicContact CG-CD1 3.5Å; F227-L231 PolarHBondContact O-N 2.82Å; A228-L231 PolarHBondContact O-N 3.02Å; L231-K233 VanDerWaalsContact C-N 3.34Å; L231-K233 PolarHBondContact O-N 3.16Å; L231-V234 PolarHBondContact O-N 3.06Å; L231-K235 WeakPolarHBondContact O-CG 3.47Å; L231-K235 PolarHBondContact O-N 3.37Å
232M98.1Very high96.7Very high0 Ų065.8 Ų65.80%030%0.298CS..Hα-helixtrans-57.2-47.7173.1-69.3168-171.800111.2F147 L155 F217 F220 A228 K229 H230 V234 K235 L236F147-M232 HydrophobicContact CE1-CB 3.87Å; F147-M232 HydrophobicContact CE1-SD 4.12Å; F147-M232 HydrophobicContact CZ-CB 4.03Å; F147-M232 HydrophobicContact CZ-SD 4.1Å; L155-M232 HydrophobicContact CD1-CE 4.2Å; L155-M232 HydrophobicContact CD1-SD 3.79Å; F217-M232 HydrophobicContact CB-CE 4.04Å; F217-M232 HydrophobicContact CB-CG 4.36Å; F217-M232 HydrophobicContact CB-SD 4.36Å; F217-M232 HydrophobicContact CD1-CG 3.91Å; F217-M232 HydrophobicContact CD2-CB 4.24Å; F217-M232 HydrophobicContact CD2-CG 3.95Å; F217-M232 HydrophobicContact CD2-SD 4.37Å; F217-M232 HydrophobicContact CE1-CB 4.36Å; F217-M232 HydrophobicContact CE1-CG 4.12Å; F217-M232 HydrophobicContact CE2-CB 4Å; F217-M232 HydrophobicContact CE2-CG 4.17Å; F217-M232 HydrophobicContact CG-CE 4.5Å; F217-M232 HydrophobicContact CG-CG 3.83Å; F217-M232 HydrophobicContact CG-SD 4.35Å; F217-M232 HydrophobicContact CZ-CB 4.06Å; F217-M232 HydrophobicContact CZ-CG 4.25Å; F217-M232 WeakPolarHBondContact O-CE 3.44Å; F220-M232 HydrophobicContact CB-CE 3.55Å; F220-M232 HydrophobicContact CD2-CG 3.96Å; F220-M232 HydrophobicContact CE2-CG 4.5Å; F220-M232 HydrophobicContact CG-CE 4.18Å; F220-M232 HydrophobicContact CG-CG 4.41Å; A228-M232 HydrophobicContact CB-CE 4.32Å; A228-M232 VanDerWaalsContact O-CG 3.25Å; A228-M232 WeakPolarHBondContact O-CG 3.39Å; A228-M232 PolarHBondContact O-N 3.06Å; K229-M232 HydrophobicContact CD-SD 3.99Å; K229-M232 PolarHBondContact O-N 3.37Å; H230-M232 PolarHBondContact O-N 3.4Å; M232-V234 PolarHBondContact O-N 3.19Å; M232-K235 PolarHBondContact O-N 3.3Å; M232-L236 WeakPolarHBondContact O-CB 3.23Å; M232-L236 VanDerWaalsContact O-CG 3.3Å; M232-L236 WeakPolarHBondContact O-CG 3.35Å; M232-L236 PolarHBondContact O-N 3.42Å
233K98Very high97Very high87 Ų8757 Ų5738%0.37826%0.26SS..Hα-helixtrans-62.3-42.8178.6-74.5175.6169.3178.70112.5F147 D148 K229 H230 L231 K235 L236 K237F147-K233 HydrophobicContact CD1-CG 4.09Å; F147-K233 HydrophobicContact CE1-CG 4.39Å; D148-K233 WeakPolarHBondContact OD1-CE 3.36Å; D148-K233 IonicContact OD1-NZ 3.86Å; D148-K233 PolarHBondContact OD1-NZ 3.17Å; D148-K233 WeakPolarHBondContact OD2-CE 3.29Å; D148-K233 IonicContact OD2-NZ 2.74Å; D148-K233 PolarHBondContact OD2-NZ 2.92Å; K229-K233 WeakPolarHBondContact O-CG 3.39Å; K229-K233 PolarHBondContact O-N 2.95Å; K229-K233 VanDerWaalsContact O-N 3.08Å; H230-K233 WeakPolarHBondContact O-CB 3.06Å; H230-K233 PolarHBondContact O-N 3.36Å; L231-K233 VanDerWaalsContact C-N 3.34Å; L231-K233 PolarHBondContact O-N 3.16Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 2.85Å; K233-L236 PolarHBondContact O-N 3.46Å; K233-K237 PolarHBondContact O-N 3.14Å
234V98.1Very high97.2Very high26 Ų2649.8 Ų49.816%0.15823%0.233CC..Hα-helixtrans-58.8-46.6175172.30000110.3V71 H230 L231 M232 K237 K238V71-V234 HydrophobicContact CG1-CG1 4.23Å; H230-V234 WeakPolarHBondContact O-CG2 3.29Å; H230-V234 PolarHBondContact O-N 3.33Å; L231-V234 PolarHBondContact O-N 3.06Å; M232-V234 PolarHBondContact O-N 3.19Å; V234-K237 PolarHBondContact O-N 3.38Å; V234-K238 HydrophobicContact CG1-CD 4.12Å; V234-K238 WeakPolarHBondContact O-CG 3.36Å; V234-K238 PolarHBondContact O-N 3.47Å
235K98.3Very high97.4Very high22 Ų2247 Ų4710%0.09622%0.222CC..Hα-helixtrans-66.7-42178.4-68.9177.9-173.9-73.90112.1V160 D162 I167 F217 F220 L231 M232 K233 K237 K238 Y239V160-K235 HydrophobicContact CG1-CD 4.13Å; D162-K235 WeakPolarHBondContact OD1-CE 3.26Å; D162-K235 IonicContact OD1-NZ 2.81Å; D162-K235 PolarHBondContact OD1-NZ 2.72Å; D162-K235 IonicContact OD2-NZ 3.96Å; D162-K235 PolarHBondContact OD2-NZ 2.81Å; I167-K235 HydrophobicContact CD1-CB 4.27Å; F217-K235 HydrophobicContact CE1-CB 4.47Å; F217-K235 HydrophobicContact CE1-CD 4.38Å; F217-K235 HydrophobicContact CZ-CB 4.33Å; F220-K235 HydrophobicContact CE2-CD 3.68Å; F220-K235 HydrophobicContact CZ-CD 3.68Å; L231-K235 WeakPolarHBondContact O-CG 3.47Å; L231-K235 PolarHBondContact O-N 3.37Å; M232-K235 PolarHBondContact O-N 3.3Å; K233-K235 VanDerWaalsContact C-N 3.33Å; K233-K235 PolarHBondContact O-N 2.85Å; K235-K237 PolarHBondContact O-N 3.14Å; K235-K238 PolarHBondContact O-N 3.14Å; K235-K238 VanDerWaalsContact O-N 3.09Å; K235-Y239 HydrophobicContact CB-CD2 4.06Å; K235-Y239 HydrophobicContact CB-CE2 4.19Å; K235-Y239 HydrophobicContact CB-CG 4.25Å; K235-Y239 HydrophobicContact CD-CE2 3.91Å; K235-Y239 HydrophobicContact CG-CD2 4.29Å; K235-Y239 HydrophobicContact CG-CE1 4.33Å; K235-Y239 HydrophobicContact CG-CE2 3.89Å; K235-Y239 PolarHBondContact NZ-OH 2.87Å; K235-Y239 VanDerWaalsContact O-CB 3.24Å; K235-Y239 WeakPolarHBondContact O-CB 3.24Å; K235-Y239 PolarHBondContact O-N 3.35Å
236L98.4Very high97.5Very high24 Ų2446.4 Ų46.413%0.12621%0.211CC..Hα-helixtrans-57.7-35.3174.2-74.5169.8000112.3F147 I167 F217 M232 K233 K241 I335F147-L236 HydrophobicContact CD1-CD1 4.25Å; F147-L236 HydrophobicContact CD2-CD1 3.87Å; F147-L236 HydrophobicContact CE1-CD1 3.92Å; F147-L236 HydrophobicContact CE2-CD1 3.52Å; F147-L236 HydrophobicContact CG-CD1 4.23Å; F147-L236 HydrophobicContact CZ-CD1 3.55Å; I167-L236 HydrophobicContact CD1-CD2 3.93Å; I167-L236 HydrophobicContact CD1-CG 4.39Å; F217-L236 HydrophobicContact CE2-CD1 4.12Å; F217-L236 HydrophobicContact CE2-CD2 3.91Å; F217-L236 HydrophobicContact CE2-CG 3.81Å; F217-L236 HydrophobicContact CZ-CD2 4.34Å; F217-L236 HydrophobicContact CZ-CG 4.09Å; M232-L236 WeakPolarHBondContact O-CB 3.23Å; M232-L236 VanDerWaalsContact O-CG 3.3Å; M232-L236 WeakPolarHBondContact O-CG 3.35Å; M232-L236 PolarHBondContact O-N 3.42Å; K233-L236 PolarHBondContact O-N 3.46Å; L236-K241 HydrophobicContact CD2-CD 4.07Å; L236-K241 HydrophobicContact CD2-CG 4.4Å; L236-K241 VanDerWaalsContact O-CD 3.28Å; L236-K241 WeakPolarHBondContact O-CD 3.45Å; L236-K241 WeakPolarHBondContact O-CE 3.26Å; L236-K241 PolarHBondContact O-NZ 2.94Å; L236-I335 HydrophobicContact CD2-CD1 4.27Å; L236-I335 HydrophobicContact CD2-CG1 4.13Å; L236-I335 HydrophobicContact CD2-CG2 3.87Å
237K97.9Very high97.7Very high188 Ų18839.1 Ų39.182%0.81718%0.18SC*.Hα-helixtrans-73.3-36.4175.6-171.5177178.9-178.10113K233 V234 K235K233-K237 PolarHBondContact O-N 3.14Å; V234-K237 PolarHBondContact O-N 3.38Å; K235-K237 PolarHBondContact O-N 3.14Å
238K97.5Very high97.8Very high88 Ų8833.8 Ų33.838%0.38316%0.157SC..Hα-helixtrans-99.6-29.4-169.3-67.8-171.6176.1-169.30115.3N72 L75 V234 K235N72-K238 PolarHBondContact OD1-NZ 3.38Å; L75-K238 HydrophobicContact CD1-CD 3.74Å; V234-K238 HydrophobicContact CG1-CD 4.12Å; V234-K238 WeakPolarHBondContact O-CG 3.36Å; V234-K238 PolarHBondContact O-N 3.47Å; K235-K238 PolarHBondContact O-N 3.14Å; K235-K238 VanDerWaalsContact O-N 3.09Å
239Y98.3Very high97.9Very high24 Ų2433.8 Ų33.89%0.09416%0.157CC..SBendtrans-94.3147.6-170.5-73.912000111.3V160 D162 G165 I167 K235 K241V160-Y239 HydrophobicContact CG1-CD2 4.12Å; V160-Y239 HydrophobicContact CG1-CE2 3.8Å; D162-Y239 WeakPolarHBondContact CA-OH 3.3Å; D162-Y239 VanDerWaalsContact OD1-CE2 3.28Å; D162-Y239 WeakPolarHBondContact OD1-CE2 3.3Å; D162-Y239 PolarHBondContact OD1-OH 3.41Å; G165-Y239 VanDerWaalsContact C-CB 3.47Å; G165-Y239 VanDerWaalsContact C-CG 3.4Å; G165-Y239 CarbonylContact O-C 3.34Å; G165-Y239 WeakPolarHBondContact O-CA 3.47Å; G165-Y239 WeakPolarHBondContact O-CB 3.35Å; I167-Y239 HydrophobicContact CD1-CD2 4.34Å; I167-Y239 HydrophobicContact CG1-CD2 3.95Å; I167-Y239 HydrophobicContact CG1-CG 4.44Å; K235-Y239 HydrophobicContact CB-CD2 4.06Å; K235-Y239 HydrophobicContact CB-CE2 4.19Å; K235-Y239 HydrophobicContact CB-CG 4.25Å; K235-Y239 HydrophobicContact CD-CE2 3.91Å; K235-Y239 HydrophobicContact CG-CD2 4.29Å; K235-Y239 HydrophobicContact CG-CE1 4.33Å; K235-Y239 HydrophobicContact CG-CE2 3.89Å; K235-Y239 PolarHBondContact NZ-OH 2.87Å; K235-Y239 VanDerWaalsContact O-CB 3.24Å; K235-Y239 WeakPolarHBondContact O-CB 3.24Å; K235-Y239 PolarHBondContact O-N 3.35Å; Y239-K241 PolarHBondContact O-N 3.13Å; Y239-K241 PolarHBondContact O-NZ 2.94Å
240T98.6Very high97.9Very high43 Ų4331.9 Ų31.926%0.26415%0.148SC..EExtended strand (participates in β ladder)trans-69.6124.1172.4-57.20000110.5G165 I166 I167 D338 L357G165-T240 PolarHBondContact O-N 2.91Å; I166-T240 WeakPolarHBondContact CA-O 3.38Å; I167-T240 PolarHBondContact N-O 3.09Å; T240-D338 VanDerWaalsContact CA-OD2 3.31Å; T240-D338 WeakPolarHBondContact CA-OD2 3.35Å; T240-D338 HydrophobicContact CG2-CB 3.98Å; T240-L357 HydrophobicContact CG2-CD2 3.61Å
241K98.8Very high98Very high12 Ų1228.2 Ų28.25%0.05213%0.132CC..EExtended strand (participates in β ladder)trans-108.8128.3-177.3-55.9137.6-62.2-81.30110.5I167 L236 Y239 I335 Q336 Y337 D338 F339I167-K241 HydrophobicContact CB-CB 4.42Å; I167-K241 HydrophobicContact CB-CG 3.93Å; I167-K241 HydrophobicContact CD1-CG 4Å; I167-K241 HydrophobicContact CG1-CG 4.4Å; I167-K241 CarbonylContact O-C 3.52Å; I167-K241 VanDerWaalsContact O-CA 3.29Å; I167-K241 WeakPolarHBondContact O-CA 3.25Å; L236-K241 HydrophobicContact CD2-CD 4.07Å; L236-K241 HydrophobicContact CD2-CG 4.4Å; L236-K241 VanDerWaalsContact O-CD 3.28Å; L236-K241 WeakPolarHBondContact O-CD 3.45Å; L236-K241 WeakPolarHBondContact O-CE 3.26Å; L236-K241 PolarHBondContact O-NZ 2.94Å; Y239-K241 PolarHBondContact O-N 3.13Å; Y239-K241 PolarHBondContact O-NZ 2.94Å; K241-I335 HydrophobicContact CD-CG2 4.24Å; K241-Q336 WeakPolarHBondContact CD-O 3.47Å; K241-Q336 WeakPolarHBondContact CE-O 3.47Å; K241-Y337 HydrophobicContact CB-CD1 3.96Å; K241-Y337 HydrophobicContact CB-CE1 4.39Å; K241-D338 WeakPolarHBondContact CE-OD2 3.37Å; K241-D338 PolarHBondContact N-OD2 3.18Å; K241-D338 IonicContact NZ-OD1 2.76Å; K241-D338 IonicContact NZ-OD2 2.64Å; K241-D338 PolarHBondContact NZ-OD2 2.68Å; K241-D338 PolarHBondContact O-N 3.25Å; K241-F339 PolarHBondContact O-N 3.14Å
242F98.9Very high98Very high1 Ų126.3 Ų26.30%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-138156.8176.876.4-86.5000112.8I166 I167 Y168 C169 W179 F244 F339 L353 L357I166-F242 HydrophobicContact CG2-CD1 4.06Å; I166-F242 HydrophobicContact CG2-CE1 3.56Å; I167-F242 PolarHBondContact O-N 3.33Å; Y168-F242 AromaticContact CD2-CD2 3.71Å; Y168-F242 HydrophobicContact CD2-CD2 3.71Å; Y168-F242 HydrophobicContact CD2-CE1 4.18Å; Y168-F242 AromaticContact CD2-CE2 3.19Å; Y168-F242 HydrophobicContact CD2-CE2 3.19Å; Y168-F242 HydrophobicContact CD2-CG 4.4Å; Y168-F242 AromaticContact CD2-CZ 3.47Å; Y168-F242 HydrophobicContact CD2-CZ 3.47Å; Y168-F242 VanDerWaalsContact CD2-CZ 3.47Å; Y168-F242 HydrophobicContact CE2-CD2 4.22Å; Y168-F242 AromaticContact CE2-CE2 3.67Å; Y168-F242 HydrophobicContact CE2-CE2 3.67Å; Y168-F242 HydrophobicContact CE2-CZ 4.28Å; Y168-F242 HydrophobicContact CG-CE1 4.21Å; Y168-F242 AromaticContact CG-CE2 3.86Å; Y168-F242 HydrophobicContact CG-CE2 3.86Å; Y168-F242 AromaticContact CG-CZ 3.62Å; Y168-F242 HydrophobicContact CG-CZ 3.62Å; C169-F242 PolarHBondContact N-O 3.17Å; W179-F242 AromaticContact CD2-CE2 3.81Å; W179-F242 HydrophobicContact CD2-CE2 3.81Å; W179-F242 HydrophobicContact CD2-CZ 4.2Å; W179-F242 AromaticContact CE3-CE2 3.71Å; W179-F242 HydrophobicContact CE3-CE2 3.71Å; W179-F242 AromaticContact CE3-CZ 3.65Å; W179-F242 HydrophobicContact CE3-CZ 3.65Å; W179-F242 HydrophobicContact CG-CE2 4.36Å; W179-F242 HydrophobicContact CH2-CE2 4.47Å; W179-F242 HydrophobicContact CZ3-CE2 4.05Å; W179-F242 AromaticContact CZ3-CZ 3.96Å; W179-F242 HydrophobicContact CZ3-CZ 3.96Å; F242-F244 AromaticContact CD2-CD2 3.94Å; F242-F244 HydrophobicContact CD2-CD2 3.94Å; F242-F244 AromaticContact CD2-CE2 3.89Å; F242-F244 HydrophobicContact CD2-CE2 3.89Å; F242-F244 HydrophobicContact CE2-CD2 4.13Å; F242-F244 HydrophobicContact CE2-CE2 4.08Å; F242-F339 VanDerWaalsContact CA-O 3.32Å; F242-F339 WeakPolarHBondContact CA-O 3.38Å; F242-F339 HydrophobicContact CB-CB 3.83Å; F242-F339 HydrophobicContact CB-CD1 4.44Å; F242-L353 HydrophobicContact CB-CD1 4.31Å; F242-L353 HydrophobicContact CB-CD2 4.05Å; F242-L353 HydrophobicContact CD1-CD2 3.97Å; F242-L353 HydrophobicContact CD2-CD2 3.35Å; F242-L353 HydrophobicContact CE1-CD2 4.2Å; F242-L353 HydrophobicContact CE2-CD2 3.63Å; F242-L353 HydrophobicContact CG-CD1 4.38Å; F242-L353 HydrophobicContact CG-CD2 3.53Å; F242-L353 HydrophobicContact CZ-CD2 4.05Å; F242-L357 HydrophobicContact CE1-CD1 4.49Å
243L98.8Very high98Very high0 Ų026.3 Ų26.30%012%0.121CC..EExtended strand (participates in β ladder)trans-139.4162.5165.374145.1000110.2C169 V245 V326 C330 Y337 F339 V340 G341 F404C169-L243 HydrophobicContact CB-CB 4.07Å; L243-V245 HydrophobicContact CD1-CG1 3.44Å; L243-V245 VanDerWaalsContact CD1-CG1 3.44Å; L243-V245 HydrophobicContact CG-CG1 4.31Å; L243-V326 HydrophobicContact CD1-CG1 3.89Å; L243-C330 HydrophobicContact CD1-CB 4.37Å; L243-Y337 HydrophobicContact CB-CD1 4.46Å; L243-Y337 HydrophobicContact CB-CE1 4.17Å; L243-Y337 HydrophobicContact CD2-CD1 3.34Å; L243-Y337 HydrophobicContact CD2-CD2 3.61Å; L243-Y337 HydrophobicContact CD2-CE1 3.59Å; L243-Y337 HydrophobicContact CD2-CE2 3.84Å; L243-Y337 HydrophobicContact CD2-CG 3.35Å; L243-Y337 HydrophobicContact CG-CD1 4.5Å; L243-Y337 HydrophobicContact CG-CE1 4.49Å; L243-F339 PolarHBondContact N-O 3.47Å; L243-V340 HydrophobicContact CD2-CG2 4.26Å; L243-G341 PolarHBondContact O-N 2.77Å; L243-F404 HydrophobicContact CD1-CE1 3.86Å; L243-F404 HydrophobicContact CD1-CZ 3.94Å
244F98.5Very high97.9Very high0 Ų023.1 Ų23.10%011%0.11CC..EExtended strand (participates in β ladder)trans-115.9143.4166.9-83.4-110.3000109V174 W179 F242 F339 G341 D349 L353V174-F244 HydrophobicContact CB-CB 4.41Å; V174-F244 HydrophobicContact CG2-CB 3.85Å; V174-F244 WeakPolarHBondContact CG2-O 3.45Å; W179-F244 AromaticContact CD1-CD2 3.98Å; W179-F244 HydrophobicContact CD2-CE2 4.35Å; W179-F244 AromaticContact CE2-CD2 3.7Å; W179-F244 AromaticContact CE2-CE2 3.33Å; W179-F244 AromaticContact CE2-CZ 3.69Å; W179-F244 HydrophobicContact CH2-CE2 4.14Å; W179-F244 HydrophobicContact CH2-CZ 4.32Å; W179-F244 HydrophobicContact CZ2-CD2 4.08Å; W179-F244 HydrophobicContact CZ2-CE1 4.15Å; W179-F244 AromaticContact CZ2-CE2 3.22Å; W179-F244 HydrophobicContact CZ2-CE2 3.22Å; W179-F244 AromaticContact CZ2-CZ 3.28Å; W179-F244 HydrophobicContact CZ2-CZ 3.28Å; W179-F244 AromaticContact NE1-CD1 3.83Å; W179-F244 AromaticContact NE1-CD2 3.27Å; W179-F244 VanDerWaalsContact NE1-CD2 3.27Å; W179-F244 AromaticContact NE1-CE1 3.87Å; W179-F244 AromaticContact NE1-CE2 3.35Å; W179-F244 AromaticContact NE1-CG 3.54Å; W179-F244 AromaticContact NE1-CZ 3.67Å; F242-F244 AromaticContact CD2-CD2 3.94Å; F242-F244 HydrophobicContact CD2-CD2 3.94Å; F242-F244 AromaticContact CD2-CE2 3.89Å; F242-F244 HydrophobicContact CD2-CE2 3.89Å; F242-F244 HydrophobicContact CE2-CD2 4.13Å; F242-F244 HydrophobicContact CE2-CE2 4.08Å; F244-F339 HydrophobicContact CE2-CE1 4.3Å; F244-F339 HydrophobicContact CZ-CE1 4.08Å; F244-G341 CarbonylContact C-O 3.34Å; F244-G341 VanDerWaalsContact CA-O 3.26Å; F244-G341 WeakPolarHBondContact CA-O 3.38Å; F244-D349 HydrophobicContact CE1-CB 3.82Å; F244-D349 HydrophobicContact CZ-CB 4Å; F244-L353 HydrophobicContact CE2-CD2 3.83Å; F244-L353 HydrophobicContact CZ-CD2 4.44Å
245V98.4Very high97.8Very high0 Ų021.9 Ų21.90%010%0.103CC..EExtended strand (participates in β ladder)trans-126.7173.2179.8-66.60000110.3L243 V326 V340 G341 H342 L343 F404 Y406L243-V245 HydrophobicContact CD1-CG1 3.44Å; L243-V245 VanDerWaalsContact CD1-CG1 3.44Å; L243-V245 HydrophobicContact CG-CG1 4.31Å; V245-V326 HydrophobicContact CG1-CG1 4.04Å; V245-V340 HydrophobicContact CG2-CG1 4.14Å; V245-G341 VanDerWaalsContact CG2-O 3.28Å; V245-G341 WeakPolarHBondContact CG2-O 3.39Å; V245-G341 PolarHBondContact N-O 2.62Å; V245-H342 CarbonylContact O-C 3.51Å; V245-L343 PolarHBondContact O-N 3.23Å; V245-F404 HydrophobicContact CB-CB 4.49Å; V245-F404 HydrophobicContact CB-CD1 4.42Å; V245-F404 HydrophobicContact CB-CG 4.21Å; V245-F404 HydrophobicContact CG1-CD1 3.71Å; V245-F404 HydrophobicContact CG1-CD2 3.94Å; V245-F404 HydrophobicContact CG1-CE1 3.79Å; V245-F404 HydrophobicContact CG1-CE2 4.06Å; V245-F404 HydrophobicContact CG1-CG 3.79Å; V245-F404 HydrophobicContact CG1-CZ 3.97Å; V245-F404 HydrophobicContact CG2-CB 4.07Å; V245-F404 HydrophobicContact CG2-CD1 4.17Å; V245-F404 HydrophobicContact CG2-CG 4.12Å; V245-Y406 HydrophobicContact CB-CE2 4.42Å; V245-Y406 HydrophobicContact CG2-CE2 4.14Å; V245-Y406 WeakPolarHBondContact CG2-OH 3.26Å
246R96.4Very high97.8Very high14 Ų1421.5 Ų21.55%0.05310%0.101CC..  trans-152156.9175.5-176.3-171.2-165.7146.911.1107.1K173 V174 L343 E344 T373 Y406K173-R246 PolarHBondContact O-NH1 2.89Å; K173-R246 VanDerWaalsContact O-NH1 3.13Å; V174-R246 HydrophobicContact CB-CB 4.38Å; V174-R246 HydrophobicContact CG1-CB 3.52Å; R246-L343 HydrophobicContact CB-CB 4.02Å; R246-L343 HydrophobicContact CB-CD2 4.41Å; R246-L343 HydrophobicContact CG-CB 4.11Å; R246-L343 HydrophobicContact CG-CD2 4Å; R246-E344 WeakPolarHBondContact CG-OE1 3.35Å; R246-T373 PolarHBondContact NH2-O 3.14Å; R246-Y406 WeakPolarHBondContact CA-OH 3.24Å; R246-Y406 PolarHBondContact N-OH 2.91Å; R246-Y406 VanDerWaalsContact N-OH 3.14Å
247D97.4Very high97.6Very high18 Ų1823 Ų2310%0.09611%0.105CC..  trans-43.1125.6168.8179-80.9000110.6F249 V250 R251 E344 F401 Y406D247-F249 VanDerWaalsContact C-N 3.31Å; D247-F249 PolarHBondContact O-N 3.47Å; D247-F249 WeakPolarHBondContact OD1-CA 3.43Å; D247-F249 WeakPolarHBondContact OD1-CB 3.23Å; D247-F249 PolarHBondContact OD1-N 3.29Å; D247-V250 HydrophobicContact CB-CB 4.05Å; D247-V250 HydrophobicContact CB-CG2 3.79Å; D247-V250 PolarHBondContact O-N 3.38Å; D247-V250 PolarHBondContact OD1-N 3.24Å; D247-R251 VanDerWaalsContact O-CB 3.29Å; D247-R251 WeakPolarHBondContact O-CB 3.45Å; D247-R251 PolarHBondContact O-N 2.94Å; D247-E344 PolarHBondContact N-OE1 3.43Å; D247-F401 WeakPolarHBondContact OD2-CE1 3.45Å; D247-Y406 VanDerWaalsContact CA-CE1 3.47Å; D247-Y406 HydrophobicContact CB-CD1 3.83Å; D247-Y406 HydrophobicContact CB-CE1 3.91Å; D247-Y406 PolarHBondContact N-OH 3.09Å
248P98Very high97.4Very high2 Ų215.9 Ų15.91%0.0138%0.076CC..Hα-helixtrans-58.6-37.5-173.9-27.636000114.2R251 L252 Y397 D400 F401P248-R251 WeakPolarHBondContact O-CB 3.28Å; P248-R251 PolarHBondContact O-N 3.29Å; P248-L252 WeakPolarHBondContact O-CG 3.32Å; P248-L252 PolarHBondContact O-N 2.83Å; P248-L252 VanDerWaalsContact O-N 3.1Å; P248-Y397 HydrophobicContact CB-CD1 4.4Å; P248-Y397 HydrophobicContact CB-CG 4.46Å; P248-D400 HydrophobicContact CB-CB 4.47Å; P248-D400 HydrophobicContact CG-CB 3.77Å; P248-F401 HydrophobicContact CB-CD2 4.01Å; P248-F401 HydrophobicContact CB-CE2 3.54Å; P248-F401 HydrophobicContact CB-CZ 3.9Å; P248-F401 HydrophobicContact CG-CD1 4.23Å; P248-F401 HydrophobicContact CG-CD2 3.62Å; P248-F401 HydrophobicContact CG-CE1 4.21Å; P248-F401 HydrophobicContact CG-CE2 3.61Å; P248-F401 HydrophobicContact CG-CG 3.93Å; P248-F401 HydrophobicContact CG-CZ 3.9Å
249F97.7Very high97.3Very high0 Ų012.7 Ų12.70%06%0.062CC..Hα-helixtrans-74.8-44-179.3-84.613.2000111.4D247 R251 L252 I253 E378 F382 L393 F401 P409 I412 L413D247-F249 VanDerWaalsContact C-N 3.31Å; D247-F249 PolarHBondContact O-N 3.47Å; D247-F249 WeakPolarHBondContact OD1-CA 3.43Å; D247-F249 WeakPolarHBondContact OD1-CB 3.23Å; D247-F249 PolarHBondContact OD1-N 3.29Å; F249-R251 PolarHBondContact O-N 3.45Å; F249-L252 HydrophobicContact CD1-CD1 4.46Å; F249-L252 WeakPolarHBondContact O-CB 3.48Å; F249-L252 PolarHBondContact O-N 3.42Å; F249-L252 VanDerWaalsContact O-N 3.1Å; F249-I253 WeakPolarHBondContact O-CG1 3.46Å; F249-I253 PolarHBondContact O-N 3.15Å; F249-E378 WeakPolarHBondContact CB-OE1 3.4Å; F249-F382 HydrophobicContact CB-CE2 3.77Å; F249-F382 HydrophobicContact CB-CZ 3.95Å; F249-F382 HydrophobicContact CD1-CZ 4.12Å; F249-F382 HydrophobicContact CD2-CD2 4.34Å; F249-F382 HydrophobicContact CD2-CE1 4.27Å; F249-F382 AromaticContact CD2-CE2 3.65Å; F249-F382 HydrophobicContact CD2-CE2 3.65Å; F249-F382 AromaticContact CD2-CZ 3.6Å; F249-F382 HydrophobicContact CD2-CZ 3.6Å; F249-F382 HydrophobicContact CE2-CE1 4.3Å; F249-F382 HydrophobicContact CE2-CE2 4.42Å; F249-F382 HydrophobicContact CE2-CZ 4.06Å; F249-F382 AromaticContact CG-CE2 3.82Å; F249-F382 HydrophobicContact CG-CE2 3.82Å; F249-F382 AromaticContact CG-CZ 3.61Å; F249-F382 HydrophobicContact CG-CZ 3.61Å; F249-F382 HydrophobicContact CZ-CZ 4.5Å; F249-L393 HydrophobicContact CD1-CD2 4.43Å; F249-L393 HydrophobicContact CE1-CB 4.46Å; F249-L393 HydrophobicContact CE1-CD2 3.92Å; F249-L393 HydrophobicContact CE1-CG 3.96Å; F249-L393 HydrophobicContact CZ-CB 4.48Å; F249-L393 HydrophobicContact CZ-CD2 4.26Å; F249-L393 HydrophobicContact CZ-CG 4.41Å; F249-F401 HydrophobicContact CB-CZ 4.4Å; F249-F401 AromaticContact CD1-CE2 3.96Å; F249-F401 HydrophobicContact CD1-CE2 3.96Å; F249-F401 AromaticContact CD1-CZ 3.86Å; F249-F401 HydrophobicContact CD1-CZ 3.86Å; F249-F401 HydrophobicContact CD2-CZ 4.43Å; F249-F401 HydrophobicContact CE1-CE2 4.04Å; F249-F401 HydrophobicContact CE1-CZ 4.24Å; F249-F401 AromaticContact CG-CZ 3.98Å; F249-F401 HydrophobicContact CG-CZ 3.98Å; F249-P409 HydrophobicContact CD2-CG 3.97Å; F249-P409 HydrophobicContact CE2-CG 3.77Å; F249-I412 HydrophobicContact CD2-CG2 4.25Å; F249-I412 HydrophobicContact CE2-CG2 3.98Å; F249-L413 HydrophobicContact CE2-CD2 4.47Å
250V96.7Very high97.2Very high2 Ų211.9 Ų11.91%0.0126%0.059CC..Hα-helixtrans-61-35.4172.3-170.40000111D247 I253 S254 T373 E378D247-V250 HydrophobicContact CB-CB 4.05Å; D247-V250 HydrophobicContact CB-CG2 3.79Å; D247-V250 PolarHBondContact O-N 3.38Å; D247-V250 PolarHBondContact OD1-N 3.24Å; V250-I253 PolarHBondContact O-N 3.4Å; V250-S254 WeakPolarHBondContact O-CB 3.34Å; V250-S254 PolarHBondContact O-N 3.11Å; V250-T373 HydrophobicContact CG1-CG2 3.81Å; V250-T373 WeakPolarHBondContact CG1-O 3.35Å; V250-E378 VanDerWaalsContact CG2-CD 3.48Å; V250-E378 HydrophobicContact CG2-CG 3.78Å
251R97.4Very high96.9Very high0 Ų012.9 Ų12.90%06%0.06CC..Hα-helixtrans-63.2-41174.8-160.1-176.571.999.3-0.3111.9K173 V174 D247 P248 F249 S254 A255 H322 W323 R324K173-R251 HydrophobicContact CB-CG 3.79Å; K173-R251 HydrophobicContact CG-CG 4.44Å; V174-R251 HydrophobicContact CG1-CG 4.43Å; D247-R251 VanDerWaalsContact O-CB 3.29Å; D247-R251 WeakPolarHBondContact O-CB 3.45Å; D247-R251 PolarHBondContact O-N 2.94Å; P248-R251 WeakPolarHBondContact O-CB 3.28Å; P248-R251 PolarHBondContact O-N 3.29Å; F249-R251 PolarHBondContact O-N 3.45Å; R251-S254 PolarHBondContact O-N 3.3Å; R251-A255 WeakPolarHBondContact O-CB 3.39Å; R251-A255 PolarHBondContact O-N 3.06Å; R251-H322 PolarHBondContact NH1-O 2.74Å; R251-W323 PolarHBondContact NH2-O 3.09Å; R251-R324 PolarHBondContact NH2-O 2.72Å
252L98.1Very high96.5Very high1 Ų117.8 Ų17.81%0.0059%0.085CC..Hα-helixtrans-65.5-42.9175.7-70.6177.7000112.4P248 F249 S254 A255 Y256 F304 L308 W323 L393 Y397P248-L252 WeakPolarHBondContact O-CG 3.32Å; P248-L252 PolarHBondContact O-N 2.83Å; P248-L252 VanDerWaalsContact O-N 3.1Å; F249-L252 HydrophobicContact CD1-CD1 4.46Å; F249-L252 WeakPolarHBondContact O-CB 3.48Å; F249-L252 PolarHBondContact O-N 3.42Å; F249-L252 VanDerWaalsContact O-N 3.1Å; L252-S254 VanDerWaalsContact C-N 3.33Å; L252-S254 PolarHBondContact O-N 3.33Å; L252-A255 WeakPolarHBondContact O-CB 3.47Å; L252-A255 PolarHBondContact O-N 3.18Å; L252-A255 VanDerWaalsContact O-N 3.17Å; L252-Y256 WeakPolarHBondContact O-CB 3.38Å; L252-Y256 PolarHBondContact O-N 3.28Å; L252-F304 HydrophobicContact CD2-CE1 4.37Å; L252-L308 HydrophobicContact CD1-CD1 4.24Å; L252-L308 HydrophobicContact CD2-CD1 4Å; L252-W323 HydrophobicContact CD2-CB 3.62Å; L252-L393 HydrophobicContact CD1-CD1 4.17Å; L252-L393 HydrophobicContact CD1-CD2 3.93Å; L252-L393 HydrophobicContact CD1-CG 4.26Å; L252-Y397 HydrophobicContact CD1-CD2 4.1Å; L252-Y397 HydrophobicContact CD1-CE2 3.7Å; L252-Y397 HydrophobicContact CD2-CE1 4.2Å; L252-Y397 HydrophobicContact CD2-CE2 4.37Å
253I97.3Very high96.3Very high0 Ų024.6 Ų24.60%011%0.111CC..Hα-helixtrans-59.3-48.1174.2-64.2165.4000109.4F249 V250 A255 Y256 R257 F301 T373 E378 W381 F382F249-I253 WeakPolarHBondContact O-CG1 3.46Å; F249-I253 PolarHBondContact O-N 3.15Å; V250-I253 PolarHBondContact O-N 3.4Å; I253-A255 VanDerWaalsContact C-N 3.28Å; I253-A255 PolarHBondContact O-N 3.45Å; I253-Y256 PolarHBondContact O-N 3.04Å; I253-R257 HydrophobicContact CG2-CG 4.25Å; I253-R257 WeakPolarHBondContact O-CB 3.22Å; I253-R257 VanDerWaalsContact O-CG 3.25Å; I253-R257 WeakPolarHBondContact O-CG 3.24Å; I253-R257 PolarHBondContact O-N 3.39Å; I253-F301 HydrophobicContact CG1-CE1 4.49Å; I253-F301 HydrophobicContact CG1-CE2 4.1Å; I253-F301 HydrophobicContact CG1-CZ 3.84Å; I253-T373 HydrophobicContact CB-CG2 4.02Å; I253-T373 HydrophobicContact CG2-CG2 3.53Å; I253-E378 HydrophobicContact CD1-CG 4.01Å; I253-W381 HydrophobicContact CD1-CB 3.69Å; I253-W381 HydrophobicContact CD1-CG 3.87Å; I253-W381 HydrophobicContact CG1-CB 3.9Å; I253-W381 HydrophobicContact CG1-CG 3.92Å; I253-W381 HydrophobicContact CG2-CD2 3.84Å; I253-W381 HydrophobicContact CG2-CG 3.76Å; I253-W381 HydrophobicContact CG2-CZ2 4.42Å; I253-F382 HydrophobicContact CD1-CD2 4.46Å; I253-F382 HydrophobicContact CD1-CE2 4.06Å; I253-F382 HydrophobicContact CG1-CE2 4.4Å
254S95.8Very high96.1Very high21 Ų2126.5 Ų26.515%0.14712%0.121CC..Hα-helixtrans-59.2-38.6176.5-170.80000112.7V250 R251 L252 N258V250-S254 WeakPolarHBondContact O-CB 3.34Å; V250-S254 PolarHBondContact O-N 3.11Å; R251-S254 PolarHBondContact O-N 3.3Å; L252-S254 VanDerWaalsContact C-N 3.33Å; L252-S254 PolarHBondContact O-N 3.33Å; S254-N258 VanDerWaalsContact O-CB 3.26Å; S254-N258 WeakPolarHBondContact O-CB 3.19Å; S254-N258 PolarHBondContact O-N 3.32Å; S254-N258 VanDerWaalsContact O-N 3.09Å
255A96.9Very high96Very high0 Ų028.8 Ų28.80%013%0.132CC..Hα-helixtrans-65-50.217600000111.9K173 R251 L252 I253 N258 K259 H322K173-A255 HydrophobicContact CG-CB 4.08Å; R251-A255 WeakPolarHBondContact O-CB 3.39Å; R251-A255 PolarHBondContact O-N 3.06Å; L252-A255 WeakPolarHBondContact O-CB 3.47Å; L252-A255 PolarHBondContact O-N 3.18Å; L252-A255 VanDerWaalsContact O-N 3.17Å; I253-A255 VanDerWaalsContact C-N 3.28Å; I253-A255 PolarHBondContact O-N 3.45Å; A255-N258 PolarHBondContact O-N 3.04Å; A255-K259 WeakPolarHBondContact O-CB 3.43Å; A255-K259 WeakPolarHBondContact O-CG 3.38Å; A255-K259 PolarHBondContact O-N 2.64Å; A255-K259 VanDerWaalsContact O-N 3.11Å; A255-H322 HydrophobicContact CB-CB 4.29Å; A255-H322 WeakPolarHBondContact CB-O 3.47Å
256Y97.4Very high95.8Very high13 Ų1333.2 Ų33.25%0.05116%0.155CC..Hα-helixtrans-57.4-53.3178.7171.8-92.6000111.2L252 I253 N258 K259 F260 E261 P299 S300 F301 F304 W381L252-Y256 WeakPolarHBondContact O-CB 3.38Å; L252-Y256 PolarHBondContact O-N 3.28Å; I253-Y256 PolarHBondContact O-N 3.04Å; Y256-N258 VanDerWaalsContact C-N 3.3Å; Y256-N258 PolarHBondContact O-N 2.94Å; Y256-K259 PolarHBondContact O-N 3.03Å; Y256-F260 HydrophobicContact CD2-CB 4.23Å; Y256-F260 AromaticContact CD2-CD2 3.52Å; Y256-F260 HydrophobicContact CD2-CD2 3.52Å; Y256-F260 HydrophobicContact CD2-CE2 4.36Å; Y256-F260 HydrophobicContact CD2-CG 4.28Å; Y256-F260 HydrophobicContact CE2-CB 3.98Å; Y256-F260 AromaticContact CE2-CD2 3.99Å; Y256-F260 HydrophobicContact CE2-CD2 3.99Å; Y256-F260 HydrophobicContact CE2-CG 4.33Å; Y256-F260 HydrophobicContact CG-CD2 4.2Å; Y256-F260 PolarHBondContact O-N 3.34Å; Y256-E261 HydrophobicContact CE1-CG 4.21Å; Y256-P299 WeakPolarHBondContact CE2-O 3.05Å; Y256-P299 PolarHBondContact OH-O 2.95Å; Y256-S300 WeakPolarHBondContact OH-CA 3Å; Y256-F301 HydrophobicContact CD1-CB 4.46Å; Y256-F301 HydrophobicContact CD1-CD2 4.03Å; Y256-F301 HydrophobicContact CD2-CD2 4.07Å; Y256-F301 HydrophobicContact CE1-CB 4.34Å; Y256-F301 HydrophobicContact CE2-CB 4.46Å; Y256-F301 AromaticContact CG-CD2 3.7Å; Y256-F301 HydrophobicContact CG-CD2 3.7Å; Y256-F301 HydrophobicContact CG-CE2 4.47Å; Y256-F301 PolarHBondContact OH-N 3.38Å; Y256-F304 HydrophobicContact CD2-CB 3.74Å; Y256-F304 HydrophobicContact CD2-CD1 4.02Å; Y256-F304 AromaticContact CD2-CG 3.92Å; Y256-F304 HydrophobicContact CD2-CG 3.92Å; Y256-F304 HydrophobicContact CE2-CB 4.14Å; Y256-F304 HydrophobicContact CG-CD1 4.42Å; Y256-W381 HydrophobicContact CD1-CE3 4.45Å; Y256-W381 AromaticContact CD1-CH2 3.89Å; Y256-W381 HydrophobicContact CD1-CH2 3.89Å; Y256-W381 AromaticContact CD1-CZ3 3.62Å; Y256-W381 HydrophobicContact CD1-CZ3 3.62Å; Y256-W381 AromaticContact CE1-CH2 3.71Å; Y256-W381 HydrophobicContact CE1-CH2 3.71Å; Y256-W381 AromaticContact CE1-CZ3 3.42Å; Y256-W381 HydrophobicContact CE1-CZ3 3.42Å; Y256-W381 VanDerWaalsContact CE1-CZ3 3.42Å
257R94.9Very high95.8Very high57 Ų5733.4 Ų33.422%0.21516%0.156CC..Hα-helixtrans-55.7-46.4179.2-68.2-178.262.7-145.24.4111.9I253 K259 E261 T373 W381I253-R257 HydrophobicContact CG2-CG 4.25Å; I253-R257 WeakPolarHBondContact O-CB 3.22Å; I253-R257 VanDerWaalsContact O-CG 3.25Å; I253-R257 WeakPolarHBondContact O-CG 3.24Å; I253-R257 PolarHBondContact O-N 3.39Å; R257-K259 VanDerWaalsContact C-N 3.26Å; R257-K259 PolarHBondContact O-N 2.94Å; R257-E261 HydrophobicContact CB-CG 4.46Å; R257-E261 VanDerWaalsContact CB-OE2 3.3Å; R257-E261 WeakPolarHBondContact CB-OE2 3.45Å; R257-E261 VanDerWaalsContact CG-OE2 3.24Å; R257-E261 WeakPolarHBondContact CG-OE2 3.49Å; R257-E261 IonicContact NE-OE2 3.03Å; R257-E261 PolarHBondContact NE-OE2 2.92Å; R257-E261 WeakPolarHBondContact O-CB 3.04Å; R257-E261 PolarHBondContact O-N 2.8Å; R257-T373 PolarHBondContact NH1-OG1 2.92Å; R257-T373 VanDerWaalsContact NH1-OG1 3.13Å; R257-W381 HydrophobicContact CG-CH2 3.97Å; R257-W381 HydrophobicContact CG-CZ2 3.69Å
258N93Very high95.8Very high38 Ų3832.9 Ų32.920%0.20315%0.153CC..Hα-helixtrans-66.4-26.4-179.4-177.5-116.5000114.1K173 S254 A255 Y256K173-N258 VanDerWaalsContact NZ-CG 3.3Å; K173-N258 PolarHBondContact NZ-OD1 3.37Å; S254-N258 VanDerWaalsContact O-CB 3.26Å; S254-N258 WeakPolarHBondContact O-CB 3.19Å; S254-N258 PolarHBondContact O-N 3.32Å; S254-N258 VanDerWaalsContact O-N 3.09Å; A255-N258 PolarHBondContact O-N 3.04Å; Y256-N258 VanDerWaalsContact C-N 3.3Å; Y256-N258 PolarHBondContact O-N 2.94Å
259K95.8Very high95.8Very high20 Ų2039.8 Ų39.89%0.08718%0.179CC..Hα-helixtrans-105.4-26.7-171.9-63.8-51.6-173.4164.80114.8A255 Y256 R257 F267 H322A255-K259 WeakPolarHBondContact O-CB 3.43Å; A255-K259 WeakPolarHBondContact O-CG 3.38Å; A255-K259 PolarHBondContact O-N 2.64Å; A255-K259 VanDerWaalsContact O-N 3.11Å; Y256-K259 PolarHBondContact O-N 3.03Å; R257-K259 VanDerWaalsContact C-N 3.26Å; R257-K259 PolarHBondContact O-N 2.94Å; K259-F267 HydrophobicContact CB-CB 4.44Å; K259-F267 HydrophobicContact CB-CD1 3.75Å; K259-F267 HydrophobicContact CB-CE1 4.35Å; K259-F267 HydrophobicContact CB-CG 4.17Å; K259-F267 HydrophobicContact CD-CD1 3.65Å; K259-F267 HydrophobicContact CD-CD2 3.91Å; K259-F267 HydrophobicContact CD-CE1 3.67Å; K259-F267 HydrophobicContact CD-CE2 3.92Å; K259-F267 HydrophobicContact CD-CG 3.79Å; K259-F267 HydrophobicContact CD-CZ 3.81Å; K259-F267 VanDerWaalsContact CE-CZ 3.46Å; K259-F267 HydrophobicContact CG-CD1 3.65Å; K259-F267 HydrophobicContact CG-CE1 3.74Å; K259-F267 HydrophobicContact CG-CG 4.21Å; K259-F267 HydrophobicContact CG-CZ 4.36Å; K259-F267 VanDerWaalsContact NZ-CZ 3.3Å; K259-H322 WeakPolarHBondContact CE-CD2 3.45Å; K259-H322 WeakPolarHBondContact CE-NE2 3.11Å; K259-H322 PolarHBondContact NZ-CD2 2.92Å; K259-H322 PolarHBondContact NZ-NE2 3.24Å
260F96.1Very high95.7Very high7 Ų746.7 Ų46.73%0.03121%0.205CC..Hα-helixtrans-124.6-15.5-171.2-53.5-62.9000114Y256 F267 F271 A272 M275 P299 F304 W323Y256-F260 HydrophobicContact CD2-CB 4.23Å; Y256-F260 AromaticContact CD2-CD2 3.52Å; Y256-F260 HydrophobicContact CD2-CD2 3.52Å; Y256-F260 HydrophobicContact CD2-CE2 4.36Å; Y256-F260 HydrophobicContact CD2-CG 4.28Å; Y256-F260 HydrophobicContact CE2-CB 3.98Å; Y256-F260 AromaticContact CE2-CD2 3.99Å; Y256-F260 HydrophobicContact CE2-CD2 3.99Å; Y256-F260 HydrophobicContact CE2-CG 4.33Å; Y256-F260 HydrophobicContact CG-CD2 4.2Å; Y256-F260 PolarHBondContact O-N 3.34Å; F260-F267 HydrophobicContact CE1-CB 4.37Å; F260-F271 HydrophobicContact CE1-CB 3.97Å; F260-F271 HydrophobicContact CZ-CB 3.91Å; F260-A272 HydrophobicContact CD1-CB 4.07Å; F260-A272 HydrophobicContact CE1-CB 4.16Å; F260-M275 HydrophobicContact CD1-CE 4.06Å; F260-M275 HydrophobicContact CD2-CE 4.28Å; F260-M275 HydrophobicContact CE1-CE 3.49Å; F260-M275 VanDerWaalsContact CE1-CE 3.49Å; F260-M275 HydrophobicContact CE2-CE 3.74Å; F260-M275 HydrophobicContact CG-CE 4.43Å; F260-M275 HydrophobicContact CZ-CE 3.32Å; F260-P299 HydrophobicContact CB-CG 4.4Å; F260-P299 HydrophobicContact CD1-CG 4.2Å; F260-P299 HydrophobicContact CG-CG 4.31Å; F260-F304 AromaticContact CE2-CD2 3.97Å; F260-F304 HydrophobicContact CE2-CD2 3.97Å; F260-F304 HydrophobicContact CE2-CE2 4.08Å; F260-W323 HydrophobicContact CZ-CH2 4.45Å; F260-W323 HydrophobicContact CZ-CZ3 4.39Å
261E93.3Very high95.7Very high64 Ų6447.4 Ų47.430%0.29921%0.208SC..SBendtrans-88-14.6170.9-64.7-173.9144.400113.4Y256 R257 F293 W381Y256-E261 HydrophobicContact CE1-CG 4.21Å; R257-E261 HydrophobicContact CB-CG 4.46Å; R257-E261 VanDerWaalsContact CB-OE2 3.3Å; R257-E261 WeakPolarHBondContact CB-OE2 3.45Å; R257-E261 VanDerWaalsContact CG-OE2 3.24Å; R257-E261 WeakPolarHBondContact CG-OE2 3.49Å; R257-E261 IonicContact NE-OE2 3.03Å; R257-E261 PolarHBondContact NE-OE2 2.92Å; R257-E261 WeakPolarHBondContact O-CB 3.04Å; R257-E261 PolarHBondContact O-N 2.8Å; E261-F293 WeakPolarHBondContact O-CE1 3.19Å; E261-W381 VanDerWaalsContact OE1-CH2 3.23Å; E261-W381 WeakPolarHBondContact OE1-CH2 3.39Å
262M90.4Very high95.7Very high115 Ų11547.4 Ų47.457%0.56721%0.208SC*.SBendtrans-113.7149.3178.3-61.8179.3179.900110.2N264 F293M262-N264 PolarHBondContact O-N 3.48Å; M262-N264 VanDerWaalsContact O-N 3.16Å; M262-F293 VanDerWaalsContact C-CZ 3.44Å
263R93.4Very high95.7Very high145 Ų14548.5 Ų48.555%0.54721%0.213SC..  trans-58.4119.8175.3-66.6178.3-171.5-82.6-7.5109.6V289 D290 F293R263-V289 HydrophobicContact CB-CG1 4.29Å; R263-D290 WeakPolarHBondContact CD-OD1 3.43Å; R263-D290 IonicContact CZ-OD1 2.81Å; R263-D290 IonicContact NE-OD1 3.28Å; R263-D290 VanDerWaalsContact NH1-CA 3.29Å; R263-D290 IonicContact NH1-OD1 3.7Å; R263-D290 PolarHBondContact NH1-OD1 3.31Å; R263-F293 HydrophobicContact CG-CD1 4.19Å; R263-F293 HydrophobicContact CG-CD2 4.25Å; R263-F293 HydrophobicContact CG-CE1 4.27Å; R263-F293 HydrophobicContact CG-CE2 4.31Å; R263-F293 HydrophobicContact CG-CG 4.17Å; R263-F293 HydrophobicContact CG-CZ 4.33Å
264N94.8Very high95.7Very high40 Ų4050 Ų5021%0.21422%0.222CC..  trans-154.292.7-178.5-171.1-35000109.5M262 D266 F267 Y268M262-N264 PolarHBondContact O-N 3.48Å; M262-N264 VanDerWaalsContact O-N 3.16Å; N264-D266 VanDerWaalsContact C-N 3.28Å; N264-D266 PolarHBondContact O-N 2.88Å; N264-D266 PolarHBondContact OD1-N 3.43Å; N264-F267 HydrophobicContact CB-CB 4.31Å; N264-F267 WeakPolarHBondContact ND2-CD2 3.25Å; N264-F267 PolarHBondContact O-N 3.33Å; N264-F267 WeakPolarHBondContact OD1-CD2 3.42Å; N264-F267 PolarHBondContact OD1-N 2.68Å; N264-Y268 VanDerWaalsContact O-CB 3.22Å; N264-Y268 WeakPolarHBondContact O-CB 3.12Å; N264-Y268 PolarHBondContact O-N 3.32Å
265E95.9Very high95.8Very high48 Ų4849 Ų4922%0.22422%0.215CC..Hα-helixtrans-57.6-42.9-175.1-170.564.2-167.300112.2F267 Y268 R269 V289E265-F267 PolarHBondContact O-N 3.07Å; E265-Y268 PolarHBondContact O-N 3.24Å; E265-R269 WeakPolarHBondContact O-CG 3.22Å; E265-R269 PolarHBondContact O-N 3.19Å; E265-R269 IonicContact OE1-CZ 2.7Å; E265-R269 IonicContact OE1-NE 3.29Å; E265-R269 PolarHBondContact OE1-NE 3.22Å; E265-R269 IonicContact OE1-NH2 3.21Å; E265-R269 PolarHBondContact OE1-NH2 2.64Å; E265-V289 HydrophobicContact CB-CG1 4.35Å; E265-V289 VanDerWaalsContact OE2-CB 3.25Å; E265-V289 WeakPolarHBondContact OE2-CB 3.46Å; E265-V289 WeakPolarHBondContact OE2-CG1 3.38Å; E265-V289 PolarHBondContact OE2-N 2.54Å
266D95.5Very high95.8Very high93 Ų9349 Ų4950%0.49722%0.216SC..Hα-helixtrans-60.9-46.5-178.9-86.49.6000113.2N264 R270N264-D266 VanDerWaalsContact C-N 3.28Å; N264-D266 PolarHBondContact O-N 2.88Å; N264-D266 PolarHBondContact OD1-N 3.43Å; D266-R270 VanDerWaalsContact CG-NH2 3.3Å; D266-R270 VanDerWaalsContact O-CB 3.31Å; D266-R270 WeakPolarHBondContact O-CB 3.31Å; D266-R270 VanDerWaalsContact O-CG 3.32Å; D266-R270 WeakPolarHBondContact O-CG 3.32Å; D266-R270 PolarHBondContact O-N 2.94Å; D266-R270 PolarHBondContact O-NE 2.93Å; D266-R270 IonicContact OD2-NH2 2.98Å; D266-R270 PolarHBondContact OD2-NH2 2.75Å
267F96.9Very high95.8Very high17 Ų1753.8 Ų53.88%0.07523%0.234CC..Hα-helixtrans-77.2-31.5178.7-85.5-103.2000111.6K259 F260 N264 E265 F271 A272 H322 W323K259-F267 HydrophobicContact CB-CB 4.44Å; K259-F267 HydrophobicContact CB-CD1 3.75Å; K259-F267 HydrophobicContact CB-CE1 4.35Å; K259-F267 HydrophobicContact CB-CG 4.17Å; K259-F267 HydrophobicContact CD-CD1 3.65Å; K259-F267 HydrophobicContact CD-CD2 3.91Å; K259-F267 HydrophobicContact CD-CE1 3.67Å; K259-F267 HydrophobicContact CD-CE2 3.92Å; K259-F267 HydrophobicContact CD-CG 3.79Å; K259-F267 HydrophobicContact CD-CZ 3.81Å; K259-F267 VanDerWaalsContact CE-CZ 3.46Å; K259-F267 HydrophobicContact CG-CD1 3.65Å; K259-F267 HydrophobicContact CG-CE1 3.74Å; K259-F267 HydrophobicContact CG-CG 4.21Å; K259-F267 HydrophobicContact CG-CZ 4.36Å; K259-F267 VanDerWaalsContact NZ-CZ 3.3Å; F260-F267 HydrophobicContact CE1-CB 4.37Å; N264-F267 HydrophobicContact CB-CB 4.31Å; N264-F267 WeakPolarHBondContact ND2-CD2 3.25Å; N264-F267 PolarHBondContact O-N 3.33Å; N264-F267 WeakPolarHBondContact OD1-CD2 3.42Å; N264-F267 PolarHBondContact OD1-N 2.68Å; E265-F267 PolarHBondContact O-N 3.07Å; F267-F271 HydrophobicContact CB-CD2 4.3Å; F267-F271 AromaticContact CD1-CD2 3.51Å; F267-F271 HydrophobicContact CD1-CD2 3.51Å; F267-F271 AromaticContact CD1-CE2 3.73Å; F267-F271 HydrophobicContact CD1-CE2 3.73Å; F267-F271 AromaticContact CE1-CD2 3.98Å; F267-F271 HydrophobicContact CE1-CD2 3.98Å; F267-F271 AromaticContact CE1-CE2 3.74Å; F267-F271 HydrophobicContact CE1-CE2 3.74Å; F267-F271 HydrophobicContact CG-CD2 4.08Å; F267-F271 HydrophobicContact CG-CE2 4.33Å; F267-F271 HydrophobicContact CZ-CE2 4.34Å; F267-F271 WeakPolarHBondContact O-CB 3.38Å; F267-F271 PolarHBondContact O-N 2.76Å; F267-A272 PolarHBondContact O-N 3.36Å; F267-A272 VanDerWaalsContact O-N 3.12Å; F267-H322 AromaticContact CE1-CD2 3.8Å; F267-H322 AromaticContact CZ-CD2 3.45Å; F267-H322 VanDerWaalsContact CZ-CD2 3.45Å; F267-H322 WeakPolarHBondContact CZ-CD2 3.48Å; F267-H322 AromaticContact CZ-NE2 3.75Å; F267-W323 HydrophobicContact CD1-CH2 4.23Å; F267-W323 HydrophobicContact CD1-CZ3 4.2Å; F267-W323 AromaticContact CE1-CH2 3.94Å; F267-W323 HydrophobicContact CE1-CH2 3.94Å; F267-W323 AromaticContact CE1-CZ3 3.8Å; F267-W323 HydrophobicContact CE1-CZ3 3.8Å
268Y97.5Very high95.9Very high8 Ų855.8 Ų55.83%0.03124%0.241CC..Iπ-helixtrans-62.1-53.6176178.7-99.7000111.1N264 E265 R270 A272 Q273 L276 P286 V289 A292N264-Y268 VanDerWaalsContact O-CB 3.22Å; N264-Y268 WeakPolarHBondContact O-CB 3.12Å; N264-Y268 PolarHBondContact O-N 3.32Å; E265-Y268 PolarHBondContact O-N 3.24Å; Y268-R270 PolarHBondContact O-N 3.13Å; Y268-A272 HydrophobicContact CD2-CB 3.5Å; Y268-A272 VanDerWaalsContact CD2-CB 3.5Å; Y268-A272 HydrophobicContact CE2-CB 4.03Å; Y268-A272 HydrophobicContact CG-CB 4.18Å; Y268-A272 WeakPolarHBondContact O-CA 3.33Å; Y268-A272 WeakPolarHBondContact O-CB 3.47Å; Y268-A272 PolarHBondContact O-N 3.17Å; Y268-Q273 HydrophobicContact CD1-CG 4.22Å; Y268-Q273 HydrophobicContact CE1-CG 3.7Å; Y268-Q273 PolarHBondContact O-N 3.13Å; Y268-L276 HydrophobicContact CE2-CD1 4.11Å; Y268-P286 VanDerWaalsContact CE1-O 3.25Å; Y268-P286 WeakPolarHBondContact CE1-O 3.34Å; Y268-P286 WeakPolarHBondContact OH-CD 3.41Å; Y268-P286 PolarHBondContact OH-O 3.37Å; Y268-V289 HydrophobicContact CD1-CB 4.14Å; Y268-V289 HydrophobicContact CD2-CB 4.48Å; Y268-V289 HydrophobicContact CD2-CG2 4.16Å; Y268-V289 HydrophobicContact CG-CB 3.89Å; Y268-V289 HydrophobicContact CG-CG2 3.95Å; Y268-A292 HydrophobicContact CD2-CB 4.14Å; Y268-A292 HydrophobicContact CE1-CB 4.27Å; Y268-A292 HydrophobicContact CE2-CB 3.34Å; Y268-A292 VanDerWaalsContact CZ-CB 3.43Å; Y268-A292 WeakPolarHBondContact OH-CB 3.45Å
269R96.5Very high96Very high147 Ų14755.8 Ų55.856%0.55524%0.238SC*.Iπ-helixtrans-62.3-45.3179-70.1-175.3-175.4177.15.8112.7E265E265-R269 WeakPolarHBondContact O-CG 3.22Å; E265-R269 PolarHBondContact O-N 3.19Å; E265-R269 IonicContact OE1-CZ 2.7Å; E265-R269 IonicContact OE1-NE 3.29Å; E265-R269 PolarHBondContact OE1-NE 3.22Å; E265-R269 IonicContact OE1-NH2 3.21Å; E265-R269 PolarHBondContact OE1-NH2 2.64Å
270R95.8Very high96Very high144 Ų14455.8 Ų55.854%0.54324%0.242SC..Iπ-helixtrans-76.4-35.1-173.8-72.1-173.7-96.6-156.9-5.9113.9D266 Y268D266-R270 VanDerWaalsContact CG-NH2 3.3Å; D266-R270 VanDerWaalsContact O-CB 3.31Å; D266-R270 WeakPolarHBondContact O-CB 3.31Å; D266-R270 VanDerWaalsContact O-CG 3.32Å; D266-R270 WeakPolarHBondContact O-CG 3.32Å; D266-R270 PolarHBondContact O-N 2.94Å; D266-R270 PolarHBondContact O-NE 2.93Å; D266-R270 IonicContact OD2-NH2 2.98Å; D266-R270 PolarHBondContact OD2-NH2 2.75Å; Y268-R270 PolarHBondContact O-N 3.13Å
271F97.3Very high95.9Very high17 Ų1762.8 Ų62.88%0.07528%0.28CS..Iπ-helixtrans-126.8-47.2-169.9-53.1-73.4000112.8F260 F267 Q273 V274 M275 Y307 N320 W323F260-F271 HydrophobicContact CE1-CB 3.97Å; F260-F271 HydrophobicContact CZ-CB 3.91Å; F267-F271 HydrophobicContact CB-CD2 4.3Å; F267-F271 AromaticContact CD1-CD2 3.51Å; F267-F271 HydrophobicContact CD1-CD2 3.51Å; F267-F271 AromaticContact CD1-CE2 3.73Å; F267-F271 HydrophobicContact CD1-CE2 3.73Å; F267-F271 AromaticContact CE1-CD2 3.98Å; F267-F271 HydrophobicContact CE1-CD2 3.98Å; F267-F271 AromaticContact CE1-CE2 3.74Å; F267-F271 HydrophobicContact CE1-CE2 3.74Å; F267-F271 HydrophobicContact CG-CD2 4.08Å; F267-F271 HydrophobicContact CG-CE2 4.33Å; F267-F271 HydrophobicContact CZ-CE2 4.34Å; F267-F271 WeakPolarHBondContact O-CB 3.38Å; F267-F271 PolarHBondContact O-N 2.76Å; F271-Q273 PolarHBondContact O-N 3.29Å; F271-V274 WeakPolarHBondContact O-CB 3.46Å; F271-V274 PolarHBondContact O-N 3.05Å; F271-M275 HydrophobicContact CB-CE 4.24Å; F271-M275 WeakPolarHBondContact O-CG 3.5Å; F271-M275 PolarHBondContact O-N 2.96Å; F271-Y307 WeakPolarHBondContact CD1-OH 3.38Å; F271-N320 HydrophobicContact CE1-CB 4.46Å; F271-N320 HydrophobicContact CZ-CB 4.05Å; F271-W323 HydrophobicContact CB-CH2 4.48Å; F271-W323 AromaticContact CD1-CH2 3.82Å; F271-W323 HydrophobicContact CD1-CH2 3.82Å; F271-W323 AromaticContact CD1-CZ2 3.7Å; F271-W323 HydrophobicContact CD1-CZ2 3.7Å; F271-W323 AromaticContact CD2-CH2 3.82Å; F271-W323 HydrophobicContact CD2-CH2 3.82Å; F271-W323 AromaticContact CE1-CH2 3.92Å; F271-W323 HydrophobicContact CE1-CH2 3.92Å; F271-W323 AromaticContact CE1-CZ2 3.66Å; F271-W323 HydrophobicContact CE1-CZ2 3.66Å; F271-W323 AromaticContact CE2-CH2 3.92Å; F271-W323 HydrophobicContact CE2-CH2 3.92Å; F271-W323 HydrophobicContact CE2-CZ2 4.47Å; F271-W323 AromaticContact CG-CH2 3.77Å; F271-W323 HydrophobicContact CG-CH2 3.77Å; F271-W323 HydrophobicContact CG-CZ2 4.14Å; F271-W323 AromaticContact CZ-CH2 3.97Å; F271-W323 HydrophobicContact CZ-CH2 3.97Å; F271-W323 HydrophobicContact CZ-CZ2 4.07Å
272A97.6Very high96Very high1 Ų162.8 Ų62.81%0.00828%0.28CS..Iπ-helixtrans-63.5-45.4-175.300000112.5F260 F267 Y268 V274 M275 L276 P299F260-A272 HydrophobicContact CD1-CB 4.07Å; F260-A272 HydrophobicContact CE1-CB 4.16Å; F267-A272 PolarHBondContact O-N 3.36Å; F267-A272 VanDerWaalsContact O-N 3.12Å; Y268-A272 HydrophobicContact CD2-CB 3.5Å; Y268-A272 VanDerWaalsContact CD2-CB 3.5Å; Y268-A272 HydrophobicContact CE2-CB 4.03Å; Y268-A272 HydrophobicContact CG-CB 4.18Å; Y268-A272 WeakPolarHBondContact O-CA 3.33Å; Y268-A272 WeakPolarHBondContact O-CB 3.47Å; Y268-A272 PolarHBondContact O-N 3.17Å; A272-V274 VanDerWaalsContact C-N 3.26Å; A272-V274 PolarHBondContact O-N 3.32Å; A272-M275 PolarHBondContact O-N 2.86Å; A272-M275 VanDerWaalsContact O-N 3.17Å; A272-L276 WeakPolarHBondContact O-CB 3.36Å; A272-L276 VanDerWaalsContact O-CG 3.27Å; A272-L276 WeakPolarHBondContact O-CG 3.3Å; A272-L276 PolarHBondContact O-N 3.1Å; A272-P299 HydrophobicContact CB-CG 3.87Å
273Q97.5Very high96.2Very high23 Ų2362 Ų6211%0.10728%0.284CS..Hα-helixtrans-60.6-36.8176.5-70.7-169.5-20.800112.3Y268 F271 L276 R277 P285 P286Y268-Q273 HydrophobicContact CD1-CG 4.22Å; Y268-Q273 HydrophobicContact CE1-CG 3.7Å; Y268-Q273 PolarHBondContact O-N 3.13Å; F271-Q273 PolarHBondContact O-N 3.29Å; Q273-L276 PolarHBondContact O-N 3.3Å; Q273-R277 WeakPolarHBondContact O-CB 3Å; Q273-R277 VanDerWaalsContact O-CG 3.23Å; Q273-R277 WeakPolarHBondContact O-CG 3.15Å; Q273-R277 PolarHBondContact O-N 2.82Å; Q273-P285 HydrophobicContact CB-CG 4.31Å; Q273-P285 HydrophobicContact CG-CB 4.18Å; Q273-P285 HydrophobicContact CG-CG 4.49Å; Q273-P286 PolarHBondContact NE2-O 3.25Å
274V96.6Very high96.3Very high32 Ų3261.2 Ų61.219%0.19430%0.295CS..Hα-helixtrans-62.8-47.3175.8178.90000110.2F271 A272 L276 R277 R278 Y307F271-V274 WeakPolarHBondContact O-CB 3.46Å; F271-V274 PolarHBondContact O-N 3.05Å; A272-V274 VanDerWaalsContact C-N 3.26Å; A272-V274 PolarHBondContact O-N 3.32Å; V274-L276 PolarHBondContact O-N 3.03Å; V274-R277 PolarHBondContact O-N 2.94Å; V274-R278 HydrophobicContact CG1-CG 4.42Å; V274-R278 WeakPolarHBondContact O-CB 3.35Å; V274-R278 WeakPolarHBondContact O-CG 3.48Å; V274-R278 PolarHBondContact O-N 3Å; V274-Y307 HydrophobicContact CG1-CD2 4.48Å; V274-Y307 HydrophobicContact CG1-CE2 4.25Å
275M97.9Very high96.4Very high0 Ų060 Ų600%029%0.289CS..Hα-helixtrans-63.1-41.9177.7-68.4-171.5-83.300112.6F260 F271 A272 Y279 A280 P299 H303 F304 Y307F260-M275 HydrophobicContact CD1-CE 4.06Å; F260-M275 HydrophobicContact CD2-CE 4.28Å; F260-M275 HydrophobicContact CE1-CE 3.49Å; F260-M275 VanDerWaalsContact CE1-CE 3.49Å; F260-M275 HydrophobicContact CE2-CE 3.74Å; F260-M275 HydrophobicContact CG-CE 4.43Å; F260-M275 HydrophobicContact CZ-CE 3.32Å; F271-M275 HydrophobicContact CB-CE 4.24Å; F271-M275 WeakPolarHBondContact O-CG 3.5Å; F271-M275 PolarHBondContact O-N 2.96Å; A272-M275 PolarHBondContact O-N 2.86Å; A272-M275 VanDerWaalsContact O-N 3.17Å; M275-Y279 HydrophobicContact CB-CD2 4.24Å; M275-Y279 HydrophobicContact CG-CD2 4.43Å; M275-Y279 HydrophobicContact CG-CE2 4.46Å; M275-Y279 WeakPolarHBondContact O-CD2 3.37Å; M275-Y279 PolarHBondContact O-N 3.46Å; M275-A280 PolarHBondContact O-N 3.08Å; M275-P299 HydrophobicContact CB-CB 3.83Å; M275-P299 HydrophobicContact CE-CB 4.07Å; M275-P299 HydrophobicContact CE-CG 3.8Å; M275-P299 HydrophobicContact SD-CB 4.17Å; M275-H303 HydrophobicContact CB-CB 4.48Å; M275-F304 HydrophobicContact CE-CD2 4.31Å; M275-F304 VanDerWaalsContact SD-CA 3.54Å; M275-F304 HydrophobicContact SD-CB 3.94Å; M275-F304 HydrophobicContact SD-CD2 3.88Å; M275-F304 HydrophobicContact SD-CG 4.43Å; M275-Y307 HydrophobicContact CG-CD2 4.06Å; M275-Y307 HydrophobicContact CG-CG 3.89Å; M275-Y307 HydrophobicContact SD-CD1 4.43Å; M275-Y307 HydrophobicContact SD-CG 4.17Å
276L98Very high96.4Very high1 Ų158.3 Ų58.31%0.00528%0.282CS..Hα-helixtrans-64.6-42.8179-70.8173.7000111.8Y268 A272 Q273 V274 A280 Q282 P285 P299Y268-L276 HydrophobicContact CE2-CD1 4.11Å; A272-L276 WeakPolarHBondContact O-CB 3.36Å; A272-L276 VanDerWaalsContact O-CG 3.27Å; A272-L276 WeakPolarHBondContact O-CG 3.3Å; A272-L276 PolarHBondContact O-N 3.1Å; Q273-L276 PolarHBondContact O-N 3.3Å; V274-L276 PolarHBondContact O-N 3.03Å; L276-A280 HydrophobicContact CB-CB 4.43Å; L276-A280 HydrophobicContact CD2-CB 3.74Å; L276-A280 CarbonylContact O-C 3.6Å; L276-A280 WeakPolarHBondContact O-CB 3.48Å; L276-A280 PolarHBondContact O-N 3.42Å; L276-Q282 HydrophobicContact CB-CB 4.25Å; L276-Q282 PolarHBondContact O-N 3.25Å; L276-P285 HydrophobicContact CB-CB 4.14Å; L276-P285 HydrophobicContact CB-CG 3.85Å; L276-P285 HydrophobicContact CD1-CB 3.97Å; L276-P299 HydrophobicContact CD2-CB 4.37Å
277R97.1Very high96.4Very high113 Ų11357.3 Ų57.343%0.42629%0.287SS..Hα-helixtrans-63.7-47.9175.9-72.4176.1-166.1122.96.8112.5Q273 V274 Q282 P285Q273-R277 WeakPolarHBondContact O-CB 3Å; Q273-R277 VanDerWaalsContact O-CG 3.23Å; Q273-R277 WeakPolarHBondContact O-CG 3.15Å; Q273-R277 PolarHBondContact O-N 2.82Å; V274-R277 PolarHBondContact O-N 2.94Å; R277-Q282 VanDerWaalsContact CA-O 3.27Å; R277-Q282 WeakPolarHBondContact CA-O 3.22Å; R277-P285 HydrophobicContact CG-CG 3.59Å
278R96.3Very high96.3Very high99 Ų9958.2 Ų58.237%0.37430%0.295SS..Hα-helixtrans-80.7-37.1-171.1-67.5-174.9-174.7-177.15.8113.2V274 D310 D316V274-R278 HydrophobicContact CG1-CG 4.42Å; V274-R278 WeakPolarHBondContact O-CB 3.35Å; V274-R278 WeakPolarHBondContact O-CG 3.48Å; V274-R278 PolarHBondContact O-N 3Å; R278-D310 IonicContact NH1-OD2 3.31Å; R278-D310 PolarHBondContact NH1-OD2 2.93Å; R278-D316 IonicContact NH2-OD2 3.06Å; R278-D316 PolarHBondContact NH2-OD2 3.25Å
279Y96.8Very high96.3Very high37 Ų3758.2 Ų58.215%0.14530%0.296CS..Hα-helixtrans-125.3-13.5-165.9-42.4-62.6000114.3M275 H303 Q306 Y307 D310M275-Y279 HydrophobicContact CB-CD2 4.24Å; M275-Y279 HydrophobicContact CG-CD2 4.43Å; M275-Y279 HydrophobicContact CG-CE2 4.46Å; M275-Y279 WeakPolarHBondContact O-CD2 3.37Å; M275-Y279 PolarHBondContact O-N 3.46Å; Y279-H303 PolarHBondContact O-CD2 3.4Å; Y279-H303 PolarHBondContact O-NE2 3.12Å; Y279-Q306 HydrophobicContact CD1-CB 3.94Å; Y279-Q306 HydrophobicContact CD2-CB 4.29Å; Y279-Q306 HydrophobicContact CE1-CB 4.24Å; Y279-Q306 HydrophobicContact CG-CB 3.99Å; Y279-Y307 HydrophobicContact CE2-CD2 4.29Å; Y279-D310 VanDerWaalsContact OH-CB 3.26Å; Y279-D310 WeakPolarHBondContact OH-CB 3.45Å; Y279-D310 PolarHBondContact OH-OD2 3.45Å
280A95.4Very high96.3Very high20 Ų2055.6 Ų55.617%0.16529%0.293CS..SBendtrans-108.510.9-176.300000114.5M275 L276 Q282 H303M275-A280 PolarHBondContact O-N 3.08Å; L276-A280 HydrophobicContact CB-CB 4.43Å; L276-A280 HydrophobicContact CD2-CB 3.74Å; L276-A280 CarbonylContact O-C 3.6Å; L276-A280 WeakPolarHBondContact O-CB 3.48Å; L276-A280 PolarHBondContact O-N 3.42Å; A280-Q282 PolarHBondContact O-N 3.26Å; A280-H303 WeakPolarHBondContact CB-CE1 3.25Å
281N94.1Very high96.3Very high154 Ų15452.9 Ų52.982%0.82429%0.287SS*.SBendtrans55.233.8-175.9-59-35.5000113.9P283N281-P283 WeakPolarHBondContact O-CD 3.44Å
282Q95.1Very high96.3Very high65 Ų6552.2 Ų52.230%0.30428%0.284SS..  trans-117.180.7177.5-68.4-174-1.800110.4L276 R277 A280 T284 P285L276-Q282 HydrophobicContact CB-CB 4.25Å; L276-Q282 PolarHBondContact O-N 3.25Å; R277-Q282 VanDerWaalsContact CA-O 3.27Å; R277-Q282 WeakPolarHBondContact CA-O 3.22Å; A280-Q282 PolarHBondContact O-N 3.26Å; Q282-T284 PolarHBondContact O-N 2.92Å; Q282-P285 VanDerWaalsContact O-CD 3.26Å; Q282-P285 WeakPolarHBondContact O-CD 3.43Å; Q282-P285 WeakPolarHBondContact O-CG 3.47Å
283P94Very high96.2Very high99 Ų9954.8 Ų54.864%0.64330%0.295SS*.SBendtrans-63.1-28.2-176.725.9-34.6000113N281 P285N281-P283 WeakPolarHBondContact O-CD 3.44Å; P283-P285 WeakPolarHBondContact O-CD 3.4Å
284T95.9Very high96.1Very high127 Ų12757.7 Ų57.778%0.77932%0.323SS*.SBendtrans-120.576.9175.354.20000110.4Q282Q282-T284 PolarHBondContact O-N 2.92Å
285P96.3Very high96Very high14 Ų1461.8 Ų61.89%0.09134%0.343CS..  trans-64.2157176.4-15.728.8000111.3Q273 L276 R277 Q282 P283Q273-P285 HydrophobicContact CB-CG 4.31Å; Q273-P285 HydrophobicContact CG-CB 4.18Å; Q273-P285 HydrophobicContact CG-CG 4.49Å; L276-P285 HydrophobicContact CB-CB 4.14Å; L276-P285 HydrophobicContact CB-CG 3.85Å; L276-P285 HydrophobicContact CD1-CB 3.97Å; R277-P285 HydrophobicContact CG-CG 3.59Å; Q282-P285 VanDerWaalsContact O-CD 3.26Å; Q282-P285 WeakPolarHBondContact O-CD 3.43Å; Q282-P285 WeakPolarHBondContact O-CG 3.47Å; P283-P285 WeakPolarHBondContact O-CD 3.4Å
286P96.9Very high95.8Very high14 Ų1464.1 Ų64.19%0.09137%0.367CS..  trans-49.3145.6174.5-31.439.5000113.2Y268 Q273 S288 E291 A292 L295 A297Y268-P286 VanDerWaalsContact CE1-O 3.25Å; Y268-P286 WeakPolarHBondContact CE1-O 3.34Å; Y268-P286 WeakPolarHBondContact OH-CD 3.41Å; Y268-P286 PolarHBondContact OH-O 3.37Å; Q273-P286 PolarHBondContact NE2-O 3.25Å; P286-S288 PolarHBondContact O-N 3.42Å; P286-E291 HydrophobicContact CB-CB 3.99Å; P286-E291 HydrophobicContact CB-CG 3.82Å; P286-A292 HydrophobicContact CB-CB 4.03Å; P286-A292 HydrophobicContact CG-CB 4.27Å; P286-L295 HydrophobicContact CG-CD1 3.89Å; P286-A297 HydrophobicContact CG-CB 3.89Å
287A94.7Very high95.6Very high71 Ų7164.4 Ų64.459%0.58737%0.369SS*.SBendtrans-74.7-28.4-170.700000112.7E291A287-E291 PolarHBondContact N-OE2 3.33Å
288S96.2Very high95.4Very high36 Ų3665.8 Ų65.825%0.25238%0.375SS..SBendtrans-124.2158.1-18067.60000111.7P286 D290 E291 A292P286-S288 PolarHBondContact O-N 3.42Å; S288-D290 PolarHBondContact O-N 3.1Å; S288-E291 WeakPolarHBondContact OG-CB 3.5Å; S288-E291 PolarHBondContact OG-N 3.27Å; S288-A292 WeakPolarHBondContact O-CB 3.32Å; S288-A292 PolarHBondContact O-N 2.88Å; S288-A292 VanDerWaalsContact O-N 3.09Å
289V96.4Very high95.4Very high8 Ų861.1 Ų61.15%0.04836%0.357CS..Hα-helixtrans-63.5-29.4172.678.50000111.2R263 E265 Y268 A292 F293R263-V289 HydrophobicContact CB-CG1 4.29Å; E265-V289 HydrophobicContact CB-CG1 4.35Å; E265-V289 VanDerWaalsContact OE2-CB 3.25Å; E265-V289 WeakPolarHBondContact OE2-CB 3.46Å; E265-V289 WeakPolarHBondContact OE2-CG1 3.38Å; E265-V289 PolarHBondContact OE2-N 2.54Å; Y268-V289 HydrophobicContact CD1-CB 4.14Å; Y268-V289 HydrophobicContact CD2-CB 4.48Å; Y268-V289 HydrophobicContact CD2-CG2 4.16Å; Y268-V289 HydrophobicContact CG-CB 3.89Å; Y268-V289 HydrophobicContact CG-CG2 3.95Å; V289-A292 PolarHBondContact O-N 2.86Å; V289-F293 HydrophobicContact CG2-CD2 3.64Å; V289-F293 HydrophobicContact CG2-CE2 3.56Å; V289-F293 VanDerWaalsContact O-CD2 3.24Å; V289-F293 WeakPolarHBondContact O-CD2 3.15Å; V289-F293 PolarHBondContact O-N 2.86Å
290D96.6Very high95.4Very high92 Ų9261.5 Ų61.549%0.49237%0.366SS..Hα-helixtrans-68.9-45.7-177.1-73.4-31.9000112.6R263 S288 F293 A294R263-D290 WeakPolarHBondContact CD-OD1 3.43Å; R263-D290 IonicContact CZ-OD1 2.81Å; R263-D290 IonicContact NE-OD1 3.28Å; R263-D290 VanDerWaalsContact NH1-CA 3.29Å; R263-D290 IonicContact NH1-OD1 3.7Å; R263-D290 PolarHBondContact NH1-OD1 3.31Å; S288-D290 PolarHBondContact O-N 3.1Å; D290-F293 PolarHBondContact O-N 3.22Å; D290-A294 PolarHBondContact O-N 2.9Å
291E96.6Very high95.5Very high88 Ų8861 Ų6141%0.41136%0.36SS..Hα-helixtrans-62.1-44172-171.8-170.5-176.300111.1P286 A287 S288 F293 A294 L295P286-E291 HydrophobicContact CB-CB 3.99Å; P286-E291 HydrophobicContact CB-CG 3.82Å; A287-E291 PolarHBondContact N-OE2 3.33Å; S288-E291 WeakPolarHBondContact OG-CB 3.5Å; S288-E291 PolarHBondContact OG-N 3.27Å; E291-F293 VanDerWaalsContact C-N 3.33Å; E291-F293 PolarHBondContact O-N 3.06Å; E291-A294 PolarHBondContact O-N 3Å; E291-L295 HydrophobicContact CG-CD1 3.97Å; E291-L295 WeakPolarHBondContact O-CG 3.32Å; E291-L295 PolarHBondContact O-N 3.25Å
292A95.9Very high95.7Very high2 Ų254.6 Ų54.62%0.01733%0.327CS..Hα-helixtrans-58.5-44.2178.200000112.6Y268 P286 S288 V289 L295 G296 A297Y268-A292 HydrophobicContact CD2-CB 4.14Å; Y268-A292 HydrophobicContact CE1-CB 4.27Å; Y268-A292 HydrophobicContact CE2-CB 3.34Å; Y268-A292 VanDerWaalsContact CZ-CB 3.43Å; Y268-A292 WeakPolarHBondContact OH-CB 3.45Å; P286-A292 HydrophobicContact CB-CB 4.03Å; P286-A292 HydrophobicContact CG-CB 4.27Å; S288-A292 WeakPolarHBondContact O-CB 3.32Å; S288-A292 PolarHBondContact O-N 2.88Å; S288-A292 VanDerWaalsContact O-N 3.09Å; V289-A292 PolarHBondContact O-N 2.86Å; A292-L295 PolarHBondContact O-N 3Å; A292-G296 CarbonylContact O-C 3.55Å; A292-G296 PolarHBondContact O-N 2.69Å; A292-A297 PolarHBondContact O-N 3.3Å
293F95Very high95.9Very high56 Ų5653.3 Ų53.325%0.24632%0.321CS..Hα-helixtrans-67.5-39.7176.5-91.2-108.9000112.2E261 M262 R263 V289 D290 E291 L295 G296E261-F293 WeakPolarHBondContact O-CE1 3.19Å; M262-F293 VanDerWaalsContact C-CZ 3.44Å; R263-F293 HydrophobicContact CG-CD1 4.19Å; R263-F293 HydrophobicContact CG-CD2 4.25Å; R263-F293 HydrophobicContact CG-CE1 4.27Å; R263-F293 HydrophobicContact CG-CE2 4.31Å; R263-F293 HydrophobicContact CG-CG 4.17Å; R263-F293 HydrophobicContact CG-CZ 4.33Å; V289-F293 HydrophobicContact CG2-CD2 3.64Å; V289-F293 HydrophobicContact CG2-CE2 3.56Å; V289-F293 VanDerWaalsContact O-CD2 3.24Å; V289-F293 WeakPolarHBondContact O-CD2 3.15Å; V289-F293 PolarHBondContact O-N 2.86Å; D290-F293 PolarHBondContact O-N 3.22Å; E291-F293 VanDerWaalsContact C-N 3.33Å; E291-F293 PolarHBondContact O-N 3.06Å; F293-L295 VanDerWaalsContact C-N 3.26Å; F293-L295 PolarHBondContact O-N 3.38Å; F293-G296 PolarHBondContact O-N 3.28Å
294A96Very high96.1Very high84 Ų8448.7 Ų48.769%0.69429%0.29SS*.Hα-helixtrans-62.1-35.7176.700000112.1D290 E291D290-A294 PolarHBondContact O-N 2.9Å; E291-A294 PolarHBondContact O-N 3Å
295L95.1Very high96.2Very high118 Ų11842.7 Ų42.762%0.61825%0.254SS*.THydrogen-bonded Turntrans-89.4-3.6178.8-63.6174.5000114P286 E291 A292 F293 A297P286-L295 HydrophobicContact CG-CD1 3.89Å; E291-L295 HydrophobicContact CG-CD1 3.97Å; E291-L295 WeakPolarHBondContact O-CG 3.32Å; E291-L295 PolarHBondContact O-N 3.25Å; A292-L295 PolarHBondContact O-N 3Å; F293-L295 VanDerWaalsContact C-N 3.26Å; F293-L295 PolarHBondContact O-N 3.38Å; L295-A297 HydrophobicContact CB-CB 4.37Å; L295-A297 PolarHBondContact O-N 2.81Å
296G93.1Very high96.3Very high48 Ų4845.6 Ų45.650%0.49527%0.266SS..THydrogen-bonded Turntrans65.216.4-172.400000114.4A292 F293 R298A292-G296 CarbonylContact O-C 3.55Å; A292-G296 PolarHBondContact O-N 2.69Å; F293-G296 PolarHBondContact O-N 3.28Å; G296-R298 VanDerWaalsContact C-N 3.34Å; G296-R298 PolarHBondContact O-N 3.05Å
297A93.5Very high96.3Very high7 Ų746 Ų466%0.05827%0.266CS..  trans-8076.1-179.300000111.1P286 A292 L295P286-A297 HydrophobicContact CG-CB 3.89Å; A292-A297 PolarHBondContact O-N 3.3Å; L295-A297 HydrophobicContact CB-CB 4.37Å; L295-A297 PolarHBondContact O-N 2.81Å
298R93.8Very high96.5Very high142 Ų14242.8 Ų42.854%0.53624%0.239SC..  trans-123.4139179.551.5-178173.2169.50.6111.1G296 S300G296-R298 VanDerWaalsContact C-N 3.34Å; G296-R298 PolarHBondContact O-N 3.05Å; R298-S300 PolarHBondContact O-N 3.39Å
299P96.6Very high96.6Very high2 Ų243 Ų431%0.01324%0.237CC..  trans-63.3135.1176.328-34.9000109.2Y256 F260 A272 M275 L276 H303Y256-P299 WeakPolarHBondContact CE2-O 3.05Å; Y256-P299 PolarHBondContact OH-O 2.95Å; F260-P299 HydrophobicContact CB-CG 4.4Å; F260-P299 HydrophobicContact CD1-CG 4.2Å; F260-P299 HydrophobicContact CG-CG 4.31Å; A272-P299 HydrophobicContact CB-CG 3.87Å; M275-P299 HydrophobicContact CB-CB 3.83Å; M275-P299 HydrophobicContact CE-CB 4.07Å; M275-P299 HydrophobicContact CE-CG 3.8Å; M275-P299 HydrophobicContact SD-CB 4.17Å; L276-P299 HydrophobicContact CD2-CB 4.37Å; P299-H303 HydrophobicContact CB-CB 4.21Å
300S96.8Very high96.7Very high45 Ų4544.5 Ų44.532%0.31525%0.245SC..  trans-73.6168.3172.769.60000110.8Y256 R298 S302 H303 F304Y256-S300 WeakPolarHBondContact OH-CA 3Å; R298-S300 PolarHBondContact O-N 3.39Å; S300-S302 PolarHBondContact O-N 3.15Å; S300-S302 PolarHBondContact OG-N 2.69Å; S300-H303 PolarHBondContact N-ND1 3.09Å; S300-H303 PolarHBondContact O-N 2.05Å; S300-H303 PolarHBondContact OG-N 2.76Å; S300-H303 VanDerWaalsContact OG-N 3.11Å; S300-H303 PolarHBondContact OG-ND1 2.94Å; S300-F304 PolarHBondContact O-N 3.06Å
301F97.6Very high96.6Very high10 Ų1045.4 Ų45.44%0.04426%0.256CS..Hα-helixtrans-61.8-32.7171.3-172.5-110.2000112.1I253 Y256 F304 T305 W381 F382 V385I253-F301 HydrophobicContact CG1-CE1 4.49Å; I253-F301 HydrophobicContact CG1-CE2 4.1Å; I253-F301 HydrophobicContact CG1-CZ 3.84Å; Y256-F301 HydrophobicContact CD1-CB 4.46Å; Y256-F301 HydrophobicContact CD1-CD2 4.03Å; Y256-F301 HydrophobicContact CD2-CD2 4.07Å; Y256-F301 HydrophobicContact CE1-CB 4.34Å; Y256-F301 HydrophobicContact CE2-CB 4.46Å; Y256-F301 AromaticContact CG-CD2 3.7Å; Y256-F301 HydrophobicContact CG-CD2 3.7Å; Y256-F301 HydrophobicContact CG-CE2 4.47Å; Y256-F301 PolarHBondContact OH-N 3.38Å; F301-F304 HydrophobicContact CD2-CD1 4.04Å; F301-F304 AromaticContact CE2-CD1 3.96Å; F301-F304 HydrophobicContact CE2-CD1 3.96Å; F301-F304 HydrophobicContact CE2-CE1 4.44Å; F301-F304 WeakPolarHBondContact O-CB 3.33Å; F301-F304 PolarHBondContact O-N 3.11Å; F301-T305 PolarHBondContact O-N 3.38Å; F301-T305 PolarHBondContact O-OG1 2.98Å; F301-W381 HydrophobicContact CB-CE3 3.59Å; F301-W381 HydrophobicContact CB-CZ3 3.79Å; F301-W381 HydrophobicContact CD1-CB 4.3Å; F301-W381 HydrophobicContact CD1-CE3 4.23Å; F301-W381 VanDerWaalsContact CD1-O 3.27Å; F301-W381 WeakPolarHBondContact CD1-O 3.34Å; F301-W381 HydrophobicContact CD2-CE3 4.09Å; F301-W381 HydrophobicContact CD2-CZ3 4.5Å; F301-W381 HydrophobicContact CE1-CB 4.3Å; F301-W381 AromaticContact CG-CE3 3.72Å; F301-W381 HydrophobicContact CG-CE3 3.72Å; F301-W381 HydrophobicContact CG-CZ3 4.29Å; F301-F382 AromaticContact CE1-CD1 3.96Å; F301-F382 HydrophobicContact CE1-CD1 3.96Å; F301-F382 HydrophobicContact CE1-CD2 4.41Å; F301-F382 AromaticContact CE1-CE1 3.69Å; F301-F382 HydrophobicContact CE1-CE1 3.69Å; F301-F382 HydrophobicContact CE1-CE2 4.15Å; F301-F382 HydrophobicContact CE1-CG 4.32Å; F301-F382 AromaticContact CE1-CZ 3.8Å; F301-F382 HydrophobicContact CE1-CZ 3.8Å; F301-F382 HydrophobicContact CZ-CE1 4.1Å; F301-F382 HydrophobicContact CZ-CE2 4.27Å; F301-F382 AromaticContact CZ-CZ 3.83Å; F301-F382 HydrophobicContact CZ-CZ 3.83Å; F301-V385 HydrophobicContact CD1-CG2 4.02Å; F301-V385 HydrophobicContact CE1-CG2 4.37Å
302S97.7Very high96.5Very high19 Ų1944.6 Ų44.613%0.13325%0.252CS..Hα-helixtrans-64.2-41.4173.6-173.50000112.3S300 F304 T305 Q306S300-S302 PolarHBondContact O-N 3.15Å; S300-S302 PolarHBondContact OG-N 2.69Å; S302-F304 VanDerWaalsContact C-N 3.28Å; S302-F304 PolarHBondContact O-N 2.89Å; S302-T305 PolarHBondContact O-N 3.31Å; S302-Q306 WeakPolarHBondContact O-CG 3.4Å; S302-Q306 PolarHBondContact O-N 3.09Å
303H98.2Very high96.4Very high38 Ų3844.6 Ų44.618%0.17625%0.252CS..Hα-helixtrans-63.2-36.5172.4-58.6150.9000111.7M275 Y279 A280 P299 S300 Q306 Y307M275-H303 HydrophobicContact CB-CB 4.48Å; Y279-H303 PolarHBondContact O-CD2 3.4Å; Y279-H303 PolarHBondContact O-NE2 3.12Å; A280-H303 WeakPolarHBondContact CB-CE1 3.25Å; P299-H303 HydrophobicContact CB-CB 4.21Å; S300-H303 PolarHBondContact N-ND1 3.09Å; S300-H303 PolarHBondContact O-N 2.05Å; S300-H303 PolarHBondContact OG-N 2.76Å; S300-H303 VanDerWaalsContact OG-N 3.11Å; S300-H303 PolarHBondContact OG-ND1 2.94Å; H303-Q306 PolarHBondContact O-N 3.09Å; H303-Y307 WeakPolarHBondContact O-CB 3.2Å; H303-Y307 PolarHBondContact O-N 2.97Å
304F98.4Very high96.4Very high1 Ų145.1 Ų45.10%0.00426%0.255CS..Hα-helixtrans-65.6-42.6174.8179-119000112.3L252 Y256 F260 M275 S300 F301 S302 Y307 L308 W323L252-F304 HydrophobicContact CD2-CE1 4.37Å; Y256-F304 HydrophobicContact CD2-CB 3.74Å; Y256-F304 HydrophobicContact CD2-CD1 4.02Å; Y256-F304 AromaticContact CD2-CG 3.92Å; Y256-F304 HydrophobicContact CD2-CG 3.92Å; Y256-F304 HydrophobicContact CE2-CB 4.14Å; Y256-F304 HydrophobicContact CG-CD1 4.42Å; F260-F304 AromaticContact CE2-CD2 3.97Å; F260-F304 HydrophobicContact CE2-CD2 3.97Å; F260-F304 HydrophobicContact CE2-CE2 4.08Å; M275-F304 HydrophobicContact CE-CD2 4.31Å; M275-F304 VanDerWaalsContact SD-CA 3.54Å; M275-F304 HydrophobicContact SD-CB 3.94Å; M275-F304 HydrophobicContact SD-CD2 3.88Å; M275-F304 HydrophobicContact SD-CG 4.43Å; S300-F304 PolarHBondContact O-N 3.06Å; F301-F304 HydrophobicContact CD2-CD1 4.04Å; F301-F304 AromaticContact CE2-CD1 3.96Å; F301-F304 HydrophobicContact CE2-CD1 3.96Å; F301-F304 HydrophobicContact CE2-CE1 4.44Å; F301-F304 WeakPolarHBondContact O-CB 3.33Å; F301-F304 PolarHBondContact O-N 3.11Å; S302-F304 VanDerWaalsContact C-N 3.28Å; S302-F304 PolarHBondContact O-N 2.89Å; F304-Y307 HydrophobicContact CD2-CD1 4.39Å; F304-Y307 WeakPolarHBondContact O-CB 3.47Å; F304-Y307 PolarHBondContact O-N 2.84Å; F304-L308 HydrophobicContact CD1-CD1 4.31Å; F304-L308 HydrophobicContact CE1-CD1 3.81Å; F304-L308 HydrophobicContact CE2-CD1 4.32Å; F304-L308 HydrophobicContact CE2-CD2 4.15Å; F304-L308 HydrophobicContact CE2-CG 4.22Å; F304-L308 HydrophobicContact CZ-CD1 3.82Å; F304-L308 HydrophobicContact CZ-CD2 4.22Å; F304-L308 HydrophobicContact CZ-CG 4.22Å; F304-L308 WeakPolarHBondContact O-CG 3.4Å; F304-L308 PolarHBondContact O-N 3.41Å; F304-W323 AromaticContact CE2-CD2 3.99Å; F304-W323 HydrophobicContact CE2-CD2 3.99Å; F304-W323 AromaticContact CE2-CE3 3.99Å; F304-W323 HydrophobicContact CE2-CE3 3.99Å; F304-W323 HydrophobicContact CE2-CG 4.35Å; F304-W323 HydrophobicContact CE2-CZ3 4.4Å; F304-W323 HydrophobicContact CZ-CB 3.95Å; F304-W323 AromaticContact CZ-CD2 3.99Å; F304-W323 HydrophobicContact CZ-CD2 3.99Å; F304-W323 AromaticContact CZ-CE3 3.97Å; F304-W323 HydrophobicContact CZ-CE3 3.97Å; F304-W323 HydrophobicContact CZ-CG 4.03Å
305T98.4Very high96.3Very high1 Ų148.8 Ų48.81%0.00626%0.255CS..Hα-helixtrans-62.2-44.1173.6-60.60000111.6F301 S302 Y307 L308 L309 V385 A389 L393F301-T305 PolarHBondContact O-N 3.38Å; F301-T305 PolarHBondContact O-OG1 2.98Å; S302-T305 PolarHBondContact O-N 3.31Å; T305-Y307 VanDerWaalsContact C-N 3.31Å; T305-Y307 PolarHBondContact O-N 2.94Å; T305-L308 PolarHBondContact O-N 2.87Å; T305-L308 VanDerWaalsContact O-N 3.16Å; T305-L309 HydrophobicContact CG2-CD1 3.87Å; T305-L309 HydrophobicContact CG2-CG 4.4Å; T305-L309 WeakPolarHBondContact O-CG 3.47Å; T305-L309 PolarHBondContact O-N 3.19Å; T305-V385 HydrophobicContact CG2-CG1 3.87Å; T305-A389 HydrophobicContact CG2-CB 4.44Å; T305-L393 HydrophobicContact CG2-CB 4.43Å; T305-L393 HydrophobicContact CG2-CD1 4.38Å; T305-L393 HydrophobicContact CG2-CD2 4.06Å
306Q98.1Very high96.1Very high75 Ų7547.7 Ų47.735%0.3525%0.25SC..Hα-helixtrans-58.9-42.4175-72.6176.155.800112Y279 S302 H303 L308 L309 D310Y279-Q306 HydrophobicContact CD1-CB 3.94Å; Y279-Q306 HydrophobicContact CD2-CB 4.29Å; Y279-Q306 HydrophobicContact CE1-CB 4.24Å; Y279-Q306 HydrophobicContact CG-CB 3.99Å; S302-Q306 WeakPolarHBondContact O-CG 3.4Å; S302-Q306 PolarHBondContact O-N 3.09Å; H303-Q306 PolarHBondContact O-N 3.09Å; Q306-L308 VanDerWaalsContact C-N 3.33Å; Q306-L308 PolarHBondContact O-N 2.92Å; Q306-L309 PolarHBondContact O-N 2.89Å; Q306-D310 WeakPolarHBondContact O-CB 3.08Å; Q306-D310 PolarHBondContact O-N 2.99Å
307Y98.3Very high96Very high22 Ų2251.4 Ų51.49%0.08626%0.256CS..Hα-helixtrans-59.3-40.5174.9173.1-102.3000113.4F271 V274 M275 Y279 H303 F304 T305 L309 T313 W323F271-Y307 WeakPolarHBondContact CD1-OH 3.38Å; V274-Y307 HydrophobicContact CG1-CD2 4.48Å; V274-Y307 HydrophobicContact CG1-CE2 4.25Å; M275-Y307 HydrophobicContact CG-CD2 4.06Å; M275-Y307 HydrophobicContact CG-CG 3.89Å; M275-Y307 HydrophobicContact SD-CD1 4.43Å; M275-Y307 HydrophobicContact SD-CG 4.17Å; Y279-Y307 HydrophobicContact CE2-CD2 4.29Å; H303-Y307 WeakPolarHBondContact O-CB 3.2Å; H303-Y307 PolarHBondContact O-N 2.97Å; F304-Y307 HydrophobicContact CD2-CD1 4.39Å; F304-Y307 WeakPolarHBondContact O-CB 3.47Å; F304-Y307 PolarHBondContact O-N 2.84Å; T305-Y307 VanDerWaalsContact C-N 3.31Å; T305-Y307 PolarHBondContact O-N 2.94Å; Y307-L309 VanDerWaalsContact C-N 3.32Å; Y307-T313 HydrophobicContact CD1-CG2 4.3Å; Y307-T313 HydrophobicContact CD2-CG2 4.1Å; Y307-T313 HydrophobicContact CE1-CG2 3.73Å; Y307-T313 HydrophobicContact CE2-CG2 3.48Å; Y307-T313 VanDerWaalsContact CE2-CG2 3.48Å; Y307-T313 HydrophobicContact CG-CG2 4.47Å; Y307-T313 WeakPolarHBondContact O-CB 3.24Å; Y307-T313 PolarHBondContact O-OG1 3.03Å; Y307-T313 WeakPolarHBondContact OH-CG2 3.42Å; Y307-W323 HydrophobicContact CE1-CZ2 4.08Å
308L98.3Very high95.9Very high5 Ų554.9 Ų54.93%0.02628%0.278CS..Hα-helixtrans-71-27.6177.3-64.5178.7000112.9L252 F304 T305 Q306 F319 W323 L393 L396L252-L308 HydrophobicContact CD1-CD1 4.24Å; L252-L308 HydrophobicContact CD2-CD1 4Å; F304-L308 HydrophobicContact CD1-CD1 4.31Å; F304-L308 HydrophobicContact CE1-CD1 3.81Å; F304-L308 HydrophobicContact CE2-CD1 4.32Å; F304-L308 HydrophobicContact CE2-CD2 4.15Å; F304-L308 HydrophobicContact CE2-CG 4.22Å; F304-L308 HydrophobicContact CZ-CD1 3.82Å; F304-L308 HydrophobicContact CZ-CD2 4.22Å; F304-L308 HydrophobicContact CZ-CG 4.22Å; F304-L308 WeakPolarHBondContact O-CG 3.4Å; F304-L308 PolarHBondContact O-N 3.41Å; T305-L308 PolarHBondContact O-N 2.87Å; T305-L308 VanDerWaalsContact O-N 3.16Å; Q306-L308 VanDerWaalsContact C-N 3.33Å; Q306-L308 PolarHBondContact O-N 2.92Å; L308-F319 HydrophobicContact CD2-CD1 4.4Å; L308-F319 HydrophobicContact CD2-CE1 4.05Å; L308-F319 HydrophobicContact CD2-CZ 4.16Å; L308-F319 WeakPolarHBondContact O-CZ 3.45Å; L308-W323 HydrophobicContact CD2-CB 4.3Å; L308-W323 HydrophobicContact CD2-CG 3.84Å; L308-L393 HydrophobicContact CB-CD1 4.21Å; L308-L393 HydrophobicContact CD1-CD1 4.05Å; L308-L396 HydrophobicContact CB-CD2 4.36Å; L308-L396 WeakPolarHBondContact O-CD2 3.34Å
309L98.3Very high96.1Very high39 Ų3948.5 Ų48.520%0.20425%0.254CS..Hα-helixtrans-91.4-14.2-179.3-64.1176.9000113.4T305 Q306 Y307 P311 A389 Q392 L393 L396T305-L309 HydrophobicContact CG2-CD1 3.87Å; T305-L309 HydrophobicContact CG2-CG 4.4Å; T305-L309 WeakPolarHBondContact O-CG 3.47Å; T305-L309 PolarHBondContact O-N 3.19Å; Q306-L309 PolarHBondContact O-N 2.89Å; Y307-L309 VanDerWaalsContact C-N 3.32Å; L309-P311 VanDerWaalsContact O-CD 3.26Å; L309-P311 WeakPolarHBondContact O-CD 3.37Å; L309-A389 HydrophobicContact CD1-CB 3.76Å; L309-A389 WeakPolarHBondContact CD1-O 3.45Å; L309-Q392 HydrophobicContact CD1-CB 4.08Å; L309-Q392 HydrophobicContact CD2-CB 3.81Å; L309-L393 HydrophobicContact CD2-CB 4.28Å; L309-L393 HydrophobicContact CD2-CD1 4.31Å; L309-L396 HydrophobicContact CD2-CD2 4.38Å
310D97.6Very high96.1Very high41 Ų4150.2 Ų50.222%0.21926%0.263CS..  trans-69.3115.4175.7-176.3-11.1000110.5R278 Y279 Q306 Q312 T313R278-D310 IonicContact NH1-OD2 3.31Å; R278-D310 PolarHBondContact NH1-OD2 2.93Å; Y279-D310 VanDerWaalsContact OH-CB 3.26Å; Y279-D310 WeakPolarHBondContact OH-CB 3.45Å; Y279-D310 PolarHBondContact OH-OD2 3.45Å; Q306-D310 WeakPolarHBondContact O-CB 3.08Å; Q306-D310 PolarHBondContact O-N 2.99Å; D310-Q312 PolarHBondContact O-N 3.49Å; D310-Q312 VanDerWaalsContact O-N 3.13Å; D310-Q312 VanDerWaalsContact OD1-CB 3.24Å; D310-Q312 WeakPolarHBondContact OD1-CB 3.4Å; D310-Q312 PolarHBondContact OD1-N 2.9Å; D310-T313 VanDerWaalsContact O-CB 3.29Å; D310-T313 WeakPolarHBondContact O-CB 3.39Å; D310-T313 PolarHBondContact O-N 2.72Å; D310-T313 PolarHBondContact O-OG1 2.72Å
311P94.5Very high96.1Very high111 Ų11150.6 Ų50.672%0.72126%0.26SS*.Hα-helixtrans-59.8-24.9179.1-22.834.5000113.6L309 T313 K315L309-P311 VanDerWaalsContact O-CD 3.26Å; L309-P311 WeakPolarHBondContact O-CD 3.37Å; P311-T313 PolarHBondContact O-N 3.49Å; P311-K315 PolarHBondContact O-N 2.93Å
312Q94.8Very high96.1Very high70 Ų7051 Ų5133%0.32726%0.262SS..Hα-helixtrans-66.9-27.4177.4-169.759.34300111.4D310 K315 D316D310-Q312 PolarHBondContact O-N 3.49Å; D310-Q312 VanDerWaalsContact O-N 3.13Å; D310-Q312 VanDerWaalsContact OD1-CB 3.24Å; D310-Q312 WeakPolarHBondContact OD1-CB 3.4Å; D310-Q312 PolarHBondContact OD1-N 2.9Å; Q312-K315 PolarHBondContact O-N 2.98Å; Q312-D316 PolarHBondContact NE2-OD1 3.5Å; Q312-D316 VanDerWaalsContact O-CG 3.27Å; Q312-D316 PolarHBondContact O-N 3.32Å
313T95.3Very high96.2Very high3 Ų350 Ų502%0.01826%0.255CS..Hα-helixtrans-60.2-53.3-178.9-630000112Y307 D310 P311 K315 D316 M317 F319Y307-T313 HydrophobicContact CD1-CG2 4.3Å; Y307-T313 HydrophobicContact CD2-CG2 4.1Å; Y307-T313 HydrophobicContact CE1-CG2 3.73Å; Y307-T313 HydrophobicContact CE2-CG2 3.48Å; Y307-T313 VanDerWaalsContact CE2-CG2 3.48Å; Y307-T313 HydrophobicContact CG-CG2 4.47Å; Y307-T313 WeakPolarHBondContact O-CB 3.24Å; Y307-T313 PolarHBondContact O-OG1 3.03Å; Y307-T313 WeakPolarHBondContact OH-CG2 3.42Å; D310-T313 VanDerWaalsContact O-CB 3.29Å; D310-T313 WeakPolarHBondContact O-CB 3.39Å; D310-T313 PolarHBondContact O-N 2.72Å; D310-T313 PolarHBondContact O-OG1 2.72Å; P311-T313 PolarHBondContact O-N 3.49Å; T313-K315 VanDerWaalsContact C-N 3.29Å; T313-K315 PolarHBondContact O-N 3.32Å; T313-D316 PolarHBondContact O-N 3.26Å; T313-M317 PolarHBondContact O-N 3.06Å; T313-M317 VanDerWaalsContact O-N 3.16Å; T313-F319 HydrophobicContact CG2-CD1 4Å; T313-F319 HydrophobicContact CG2-CE1 3.59Å
314E93.1Very high96.2Very high67 Ų6750.1 Ų50.131%0.31325%0.254SS..Hα-helixtrans-74.7-20.1178.9-72.9-146.278.700113.3M317 F319 R328E314-M317 WeakPolarHBondContact CA-O 3.23Å; E314-F319 HydrophobicContact CG-CD1 3.72Å; E314-F319 HydrophobicContact CG-CD2 4.14Å; E314-F319 HydrophobicContact CG-CE1 3.44Å; E314-F319 VanDerWaalsContact CG-CE1 3.44Å; E314-F319 HydrophobicContact CG-CE2 3.87Å; E314-F319 HydrophobicContact CG-CG 4.06Å; E314-F319 HydrophobicContact CG-CZ 3.51Å; E314-R328 IonicContact OE1-CZ 2.63Å; E314-R328 VanDerWaalsContact OE1-CZ 3.27Å; E314-R328 IonicContact OE1-NH1 3.93Å; E314-R328 PolarHBondContact OE1-NH1 3.15Å; E314-R328 IonicContact OE1-NH2 2.85Å; E314-R328 PolarHBondContact OE1-NH2 2.84Å; E314-R328 IonicContact OE2-NH1 2.85Å; E314-R328 PolarHBondContact OE2-NH1 2.81Å
315K94Very high96.1Very high161 Ų16150.1 Ų50.170%0.725%0.254SS*.Hα-helixtrans-69.8-38.3171.9-174.2179172.6-171.40111.9P311 Q312 T313P311-K315 PolarHBondContact O-N 2.93Å; Q312-K315 PolarHBondContact O-N 2.98Å; T313-K315 VanDerWaalsContact C-N 3.29Å; T313-K315 PolarHBondContact O-N 3.32Å
316D91.5Very high96.2Very high94 Ų9450.3 Ų50.350%0.50326%0.255SS..Hα-helixtrans-73.9-47.1178.8-70.9-22.1000111.5R278 Q312 T313R278-D316 IonicContact NH2-OD2 3.06Å; R278-D316 PolarHBondContact NH2-OD2 3.25Å; Q312-D316 PolarHBondContact NE2-OD1 3.5Å; Q312-D316 VanDerWaalsContact O-CG 3.27Å; Q312-D316 PolarHBondContact O-N 3.32Å; T313-D316 PolarHBondContact O-N 3.26Å
317M90.8Very high96.2Very high127 Ų12747.4 Ų47.463%0.62624%0.241SC*.SBendtrans-157.1144.6-178.9-168.2179.4-73.900110.8T313 E314T313-M317 PolarHBondContact O-N 3.06Å; T313-M317 VanDerWaalsContact O-N 3.16Å; E314-M317 WeakPolarHBondContact CA-O 3.23Å
318P92.5Very high96.1Very high80 Ų8048.7 Ų48.752%0.51925%0.246SC..PPolyproline II helixtrans-53.9144.7170.7-2534000111.6N320P318-N320 PolarHBondContact O-N 3.43Å
319F96.6Very high96.1Very high7 Ų748.7 Ų48.73%0.03125%0.246CC..PPolyproline II helixtrans-51.9140175.7-75.6-25000112.5L308 T313 E314 W323 R324 L396L308-F319 HydrophobicContact CD2-CD1 4.4Å; L308-F319 HydrophobicContact CD2-CE1 4.05Å; L308-F319 HydrophobicContact CD2-CZ 4.16Å; L308-F319 WeakPolarHBondContact O-CZ 3.45Å; T313-F319 HydrophobicContact CG2-CD1 4Å; T313-F319 HydrophobicContact CG2-CE1 3.59Å; E314-F319 HydrophobicContact CG-CD1 3.72Å; E314-F319 HydrophobicContact CG-CD2 4.14Å; E314-F319 HydrophobicContact CG-CE1 3.44Å; E314-F319 VanDerWaalsContact CG-CE1 3.44Å; E314-F319 HydrophobicContact CG-CE2 3.87Å; E314-F319 HydrophobicContact CG-CG 4.06Å; E314-F319 HydrophobicContact CG-CZ 3.51Å; F319-W323 AromaticContact CD1-CD1 3.98Å; F319-W323 AromaticContact CD1-NE1 3.76Å; F319-W323 AromaticContact CG-CD1 3.77Å; F319-W323 AromaticContact CG-NE1 3.92Å; F319-R324 HydrophobicContact CB-CB 3.99Å; F319-R324 HydrophobicContact CB-CG 4.35Å; F319-L396 HydrophobicContact CE2-CD1 4.37Å; F319-L396 HydrophobicContact CE2-CD2 4.02Å; F319-L396 HydrophobicContact CZ-CD2 4.24Å
320N97.7Very high96.1Very high38 Ų3846.8 Ų46.820%0.20324%0.236CC..PPolyproline II helixtrans-59.3141.6171.6-176-89.8000110F271 P318 H322 W323 R324F271-N320 HydrophobicContact CE1-CB 4.46Å; F271-N320 HydrophobicContact CZ-CB 4.05Å; P318-N320 PolarHBondContact O-N 3.43Å; N320-H322 PolarHBondContact O-N 2.76Å; N320-H322 WeakPolarHBondContact OD1-CB 3.29Å; N320-H322 PolarHBondContact OD1-CD2 3.48Å; N320-H322 PolarHBondContact OD1-N 3.46Å; N320-W323 HydrophobicContact CB-CD2 3.98Å; N320-W323 VanDerWaalsContact CB-CE2 3.48Å; N320-W323 HydrophobicContact CB-CE3 4.22Å; N320-W323 HydrophobicContact CB-CH2 3.55Å; N320-W323 HydrophobicContact CB-CZ2 3.27Å; N320-W323 HydrophobicContact CB-CZ3 4.03Å; N320-W323 PolarHBondContact O-N 3.07Å; N320-R324 WeakPolarHBondContact O-CB 3.25Å; N320-R324 PolarHBondContact O-N 3.1Å
321E97.3Very high96.2Very high53 Ų5344.9 Ų44.925%0.24823%0.226CC..THydrogen-bonded Turntrans-49.1-28.9-179.652.7158.5-178.500114.8H157 Y170 P172 W323H157-E321 IonicContact CE1-OE2 3.27Å; H157-E321 PolarHBondContact CE1-OE2 2.9Å; Y170-E321 WeakPolarHBondContact CE2-OE2 3.2Å; P172-E321 HydrophobicContact CG-CB 4.06Å; P172-E321 HydrophobicContact CG-CG 4.15Å; P172-E321 WeakPolarHBondContact CG-O 3.46Å; P172-E321 WeakPolarHBondContact CG-OE2 3.48Å; E321-W323 VanDerWaalsContact C-N 3.3Å; E321-W323 PolarHBondContact O-N 3.31Å
322H97.8Very high96.3Very high18 Ų1840 Ų408%0.08319%0.194CC..THydrogen-bonded Turntrans-70.9-23.7-177.2-62.4-45000114.5P172 R251 A255 K259 F267 N320P172-H322 WeakPolarHBondContact CB-ND1 3.28Å; R251-H322 PolarHBondContact NH1-O 2.74Å; A255-H322 HydrophobicContact CB-CB 4.29Å; A255-H322 WeakPolarHBondContact CB-O 3.47Å; K259-H322 WeakPolarHBondContact CE-CD2 3.45Å; K259-H322 WeakPolarHBondContact CE-NE2 3.11Å; K259-H322 PolarHBondContact NZ-CD2 2.92Å; K259-H322 PolarHBondContact NZ-NE2 3.24Å; F267-H322 AromaticContact CE1-CD2 3.8Å; F267-H322 AromaticContact CZ-CD2 3.45Å; F267-H322 VanDerWaalsContact CZ-CD2 3.45Å; F267-H322 WeakPolarHBondContact CZ-CD2 3.48Å; F267-H322 AromaticContact CZ-NE2 3.75Å; N320-H322 PolarHBondContact O-N 2.76Å; N320-H322 WeakPolarHBondContact OD1-CB 3.29Å; N320-H322 PolarHBondContact OD1-CD2 3.48Å; N320-H322 PolarHBondContact OD1-N 3.46Å
323W98.1Very high96.5Very high0 Ų038.3 Ų38.30%019%0.19CC..THydrogen-bonded Turntrans-123.7-5.7174.252.485.4000112.6R251 L252 F260 F267 F271 F304 Y307 L308 F319 N320 E321 Y397R251-W323 PolarHBondContact NH2-O 3.09Å; L252-W323 HydrophobicContact CD2-CB 3.62Å; F260-W323 HydrophobicContact CZ-CH2 4.45Å; F260-W323 HydrophobicContact CZ-CZ3 4.39Å; F267-W323 HydrophobicContact CD1-CH2 4.23Å; F267-W323 HydrophobicContact CD1-CZ3 4.2Å; F267-W323 AromaticContact CE1-CH2 3.94Å; F267-W323 HydrophobicContact CE1-CH2 3.94Å; F267-W323 AromaticContact CE1-CZ3 3.8Å; F267-W323 HydrophobicContact CE1-CZ3 3.8Å; F271-W323 HydrophobicContact CB-CH2 4.48Å; F271-W323 AromaticContact CD1-CH2 3.82Å; F271-W323 HydrophobicContact CD1-CH2 3.82Å; F271-W323 AromaticContact CD1-CZ2 3.7Å; F271-W323 HydrophobicContact CD1-CZ2 3.7Å; F271-W323 AromaticContact CD2-CH2 3.82Å; F271-W323 HydrophobicContact CD2-CH2 3.82Å; F271-W323 AromaticContact CE1-CH2 3.92Å; F271-W323 HydrophobicContact CE1-CH2 3.92Å; F271-W323 AromaticContact CE1-CZ2 3.66Å; F271-W323 HydrophobicContact CE1-CZ2 3.66Å; F271-W323 AromaticContact CE2-CH2 3.92Å; F271-W323 HydrophobicContact CE2-CH2 3.92Å; F271-W323 HydrophobicContact CE2-CZ2 4.47Å; F271-W323 AromaticContact CG-CH2 3.77Å; F271-W323 HydrophobicContact CG-CH2 3.77Å; F271-W323 HydrophobicContact CG-CZ2 4.14Å; F271-W323 AromaticContact CZ-CH2 3.97Å; F271-W323 HydrophobicContact CZ-CH2 3.97Å; F271-W323 HydrophobicContact CZ-CZ2 4.07Å; F304-W323 AromaticContact CE2-CD2 3.99Å; F304-W323 HydrophobicContact CE2-CD2 3.99Å; F304-W323 AromaticContact CE2-CE3 3.99Å; F304-W323 HydrophobicContact CE2-CE3 3.99Å; F304-W323 HydrophobicContact CE2-CG 4.35Å; F304-W323 HydrophobicContact CE2-CZ3 4.4Å; F304-W323 HydrophobicContact CZ-CB 3.95Å; F304-W323 AromaticContact CZ-CD2 3.99Å; F304-W323 HydrophobicContact CZ-CD2 3.99Å; F304-W323 AromaticContact CZ-CE3 3.97Å; F304-W323 HydrophobicContact CZ-CE3 3.97Å; F304-W323 HydrophobicContact CZ-CG 4.03Å; Y307-W323 HydrophobicContact CE1-CZ2 4.08Å; L308-W323 HydrophobicContact CD2-CB 4.3Å; L308-W323 HydrophobicContact CD2-CG 3.84Å; F319-W323 AromaticContact CD1-CD1 3.98Å; F319-W323 AromaticContact CD1-NE1 3.76Å; F319-W323 AromaticContact CG-CD1 3.77Å; F319-W323 AromaticContact CG-NE1 3.92Å; N320-W323 HydrophobicContact CB-CD2 3.98Å; N320-W323 VanDerWaalsContact CB-CE2 3.48Å; N320-W323 HydrophobicContact CB-CE3 4.22Å; N320-W323 HydrophobicContact CB-CH2 3.55Å; N320-W323 HydrophobicContact CB-CZ2 3.27Å; N320-W323 HydrophobicContact CB-CZ3 4.03Å; N320-W323 PolarHBondContact O-N 3.07Å; E321-W323 VanDerWaalsContact C-N 3.3Å; E321-W323 PolarHBondContact O-N 3.31Å; W323-Y397 WeakPolarHBondContact O-CE1 3.3Å; W323-Y397 PolarHBondContact O-OH 3.48Å
324R98Very high96.6Very high39 Ų3939.9 Ų39.915%0.14720%0.197CC..SBendtrans-61.8139.4173.2-173.2164.7-179.5176.5-1.8111.8R251 F319 N320 R328 L329R251-R324 PolarHBondContact NH2-O 2.72Å; F319-R324 HydrophobicContact CB-CB 3.99Å; F319-R324 HydrophobicContact CB-CG 4.35Å; N320-R324 WeakPolarHBondContact O-CB 3.25Å; N320-R324 PolarHBondContact O-N 3.1Å; R324-R328 HydrophobicContact CG-CB 4.16Å; R324-L329 HydrophobicContact CB-CD2 4.04Å; R324-L329 HydrophobicContact CB-CG 4.43Å; R324-L329 HydrophobicContact CG-CD2 3.92Å; R324-L329 HydrophobicContact CG-CG 4.34Å
325Q98.4Very high96.8Very high2 Ų236.8 Ų36.81%0.00918%0.182CC..  trans-57.2140.3-179.4-57.387-1200111.8Y327 R328 L329 L396 Y397 D400Q325-Y327 VanDerWaalsContact C-N 3.32Å; Q325-Y327 HydrophobicContact CB-CD1 3.53Å; Q325-Y327 HydrophobicContact CB-CE1 3.37Å; Q325-Y327 HydrophobicContact CG-CD1 4.31Å; Q325-Y327 HydrophobicContact CG-CE1 3.72Å; Q325-Y327 PolarHBondContact O-N 2.89Å; Q325-R328 HydrophobicContact CB-CG 4.35Å; Q325-R328 PolarHBondContact O-N 3.17Å; Q325-R328 VanDerWaalsContact O-N 3.09Å; Q325-L329 PolarHBondContact O-N 2.79Å; Q325-L396 PolarHBondContact NE2-O 3.28Å; Q325-L396 VanDerWaalsContact NE2-O 3.1Å; Q325-Y397 HydrophobicContact CB-CD1 4.49Å; Q325-Y397 HydrophobicContact CG-CD1 3.73Å; Q325-Y397 HydrophobicContact CG-CE1 3.8Å; Q325-Y397 HydrophobicContact CG-CG 4.42Å; Q325-D400 VanDerWaalsContact CA-OD2 3.25Å; Q325-D400 WeakPolarHBondContact CA-OD2 3.27Å; Q325-D400 WeakPolarHBondContact CB-OD2 3.46Å
326V98.6Very high97Very high4 Ų435.3 Ų35.32%0.02418%0.178CC..Hα-helixtrans-60.5-41.3-176.9178.50000111.2V171 L243 V245 R328 L329 C330 D400 F404V171-V326 HydrophobicContact CG1-CG2 3.68Å; V171-V326 HydrophobicContact CG2-CG1 3.72Å; V171-V326 HydrophobicContact CG2-CG2 4.39Å; L243-V326 HydrophobicContact CD1-CG1 3.89Å; V245-V326 HydrophobicContact CG1-CG1 4.04Å; V326-R328 PolarHBondContact O-N 3.13Å; V326-R328 VanDerWaalsContact O-N 3.15Å; V326-L329 PolarHBondContact O-N 3.34Å; V326-C330 HydrophobicContact CG1-CB 4.47Å; V326-C330 PolarHBondContact O-N 3.24Å; V326-D400 WeakPolarHBondContact CB-OD1 3.27Å; V326-D400 VanDerWaalsContact N-CG 3.31Å; V326-D400 PolarHBondContact N-OD1 2.92Å; V326-D400 VanDerWaalsContact N-OD1 3.11Å; V326-D400 PolarHBondContact N-OD2 3.35Å; V326-F404 HydrophobicContact CB-CE2 3.74Å; V326-F404 HydrophobicContact CB-CZ 4.34Å; V326-F404 HydrophobicContact CG1-CD2 4.5Å; V326-F404 HydrophobicContact CG1-CE2 3.51Å; V326-F404 HydrophobicContact CG1-CZ 3.61Å
327Y98.1Very high97.4Very high15 Ų1531 Ų316%0.05916%0.155CC..Hα-helixtrans-59.4-29.1178.680.3-93.8000113F140 P141 Q325 H331 P399 D400 L403F140-Y327 HydrophobicContact CB-CE2 4.23Å; F140-Y327 AromaticContact CD2-CD2 3.44Å; F140-Y327 HydrophobicContact CD2-CD2 3.44Å; F140-Y327 VanDerWaalsContact CD2-CD2 3.44Å; F140-Y327 AromaticContact CD2-CE2 3.53Å; F140-Y327 HydrophobicContact CD2-CE2 3.53Å; F140-Y327 HydrophobicContact CD2-CG 4.09Å; F140-Y327 AromaticContact CE2-CD2 3.72Å; F140-Y327 HydrophobicContact CE2-CD2 3.72Å; F140-Y327 HydrophobicContact CE2-CE2 4.28Å; F140-Y327 HydrophobicContact CE2-CG 4.2Å; F140-Y327 HydrophobicContact CG-CD2 4.33Å; F140-Y327 HydrophobicContact CG-CE2 4.21Å; P141-Y327 WeakPolarHBondContact O-CE2 3.12Å; Q325-Y327 VanDerWaalsContact C-N 3.32Å; Q325-Y327 HydrophobicContact CB-CD1 3.53Å; Q325-Y327 HydrophobicContact CB-CE1 3.37Å; Q325-Y327 HydrophobicContact CG-CD1 4.31Å; Q325-Y327 HydrophobicContact CG-CE1 3.72Å; Q325-Y327 PolarHBondContact O-N 2.89Å; Y327-H331 WeakPolarHBondContact O-CA 3.49Å; Y327-H331 PolarHBondContact O-N 3.08Å; Y327-P399 HydrophobicContact CD1-CB 3.6Å; Y327-P399 HydrophobicContact CD1-CG 4.29Å; Y327-P399 HydrophobicContact CE1-CB 3.75Å; Y327-P399 HydrophobicContact CE1-CG 3.92Å; Y327-P399 HydrophobicContact CG-CB 4.27Å; Y327-D400 WeakPolarHBondContact CD1-OD1 3.46Å; Y327-D400 PolarHBondContact N-OD1 3.48Å; Y327-L403 HydrophobicContact CG-CD1 4.45Å
328R97.5Very high97.7Very high49 Ų4927 Ų2719%0.18514%0.136CC..Hα-helixtrans-81.4-23176.5-6117679-175.24.4113.2E314 R324 Q325 V326 H331E314-R328 IonicContact OE1-CZ 2.63Å; E314-R328 VanDerWaalsContact OE1-CZ 3.27Å; E314-R328 IonicContact OE1-NH1 3.93Å; E314-R328 PolarHBondContact OE1-NH1 3.15Å; E314-R328 IonicContact OE1-NH2 2.85Å; E314-R328 PolarHBondContact OE1-NH2 2.84Å; E314-R328 IonicContact OE2-NH1 2.85Å; E314-R328 PolarHBondContact OE2-NH1 2.81Å; R324-R328 HydrophobicContact CG-CB 4.16Å; Q325-R328 HydrophobicContact CB-CG 4.35Å; Q325-R328 PolarHBondContact O-N 3.17Å; Q325-R328 VanDerWaalsContact O-N 3.09Å; V326-R328 PolarHBondContact O-N 3.13Å; V326-R328 VanDerWaalsContact O-N 3.15Å; R328-H331 PolarHBondContact O-CE1 3.1Å
329L98.3Very high98Very high4 Ų423.3 Ų23.32%0.02111%0.111CC..Hα-helixtrans-83.5-41176.8-61.2-177.9000111.1R324 Q325 V326R324-L329 HydrophobicContact CB-CD2 4.04Å; R324-L329 HydrophobicContact CB-CG 4.43Å; R324-L329 HydrophobicContact CG-CD2 3.92Å; R324-L329 HydrophobicContact CG-CG 4.34Å; Q325-L329 PolarHBondContact O-N 2.79Å; V326-L329 PolarHBondContact O-N 3.34Å
330C98.5Very high98.1Very high0 Ų023 Ų230%011%0.11CC..Hα-helixtrans-114.9-6-165.9-68.60000115.2C169 V171 L243 V326 Y337C169-C330 HydrophobicContact CB-CB 3.89Å; C169-C330 WeakPolarHBondContact CB-SG 3.29Å; C169-C330 WeakPolarHBondContact SG-CA 3.41Å; C169-C330 WeakPolarHBondContact SG-CB 3.49Å; C169-C330 CovalentContact SG-SG 2.03Å; C169-C330 PolarHBondContact SG-SG 3.27Å; V171-C330 WeakPolarHBondContact CG2-SG 3.32Å; L243-C330 HydrophobicContact CD1-CB 4.37Å; V326-C330 HydrophobicContact CG1-CB 4.47Å; V326-C330 PolarHBondContact O-N 3.24Å; C330-Y337 HydrophobicContact CB-CE2 4.48Å; C330-Y337 WeakPolarHBondContact CB-OH 3.33Å; C330-Y337 WeakPolarHBondContact O-CE2 3.41Å; C330-Y337 PolarHBondContact O-OH 3.46Å
331H98.3Very high98.1Very high1 Ų121.2 Ų21.21%0.00510%0.101CC..  trans49.750.7172.5-46.1-71.2000114.1R145 I150 E154 Y327 R328 C333 Q334 I335R145-H331 PolarHBondContact NH2-CE1 3.33Å; R145-H331 PolarHBondContact NH2-ND1 3.18Å; I150-H331 HydrophobicContact CD1-CB 3.89Å; E154-H331 PolarHBondContact O-NE2 3.07Å; E154-H331 IonicContact OE2-CE1 2.67Å; E154-H331 PolarHBondContact OE2-CE1 3.11Å; Y327-H331 WeakPolarHBondContact O-CA 3.49Å; Y327-H331 PolarHBondContact O-N 3.08Å; R328-H331 PolarHBondContact O-CE1 3.1Å; H331-C333 PolarHBondContact O-N 3.38Å; H331-C333 VanDerWaalsContact O-N 3.09Å; H331-Q334 HydrophobicContact CB-CB 4.22Å; H331-Q334 PolarHBondContact O-N 3.03Å; H331-I335 HydrophobicContact CB-CD1 4.34Å; H331-I335 PolarHBondContact O-N 3.21Å
332P97.9Very high98.2Very high8 Ų819.7 Ų19.75%0.0529%0.093CC..THydrogen-bonded Turntrans-63.7-18.1-17125.7-34.4000115L129 Y337 L403 F404L129-P332 HydrophobicContact CD1-CB 3.75Å; L129-P332 HydrophobicContact CD1-CG 4.39Å; L129-P332 HydrophobicContact CD2-CB 3.86Å; L129-P332 HydrophobicContact CG-CB 4.05Å; P332-Y337 HydrophobicContact CB-CD2 4.41Å; P332-Y337 HydrophobicContact CB-CE2 4.32Å; P332-L403 HydrophobicContact CG-CD1 3.93Å; P332-L403 HydrophobicContact CG-CD2 4.41Å; P332-F404 HydrophobicContact CG-CZ 4.31Å
333C98Very high98Very high35 Ų3519.6 Ų19.624%0.2369%0.093CC..THydrogen-bonded Turntrans-87.1-14.1173.8-57.30000113.4C133 H331C133-C333 VanDerWaalsContact CA-SG 3.54Å; C133-C333 HydrophobicContact CB-CB 3.72Å; C133-C333 WeakPolarHBondContact CB-SG 3.26Å; C133-C333 WeakPolarHBondContact SG-CA 3.33Å; C133-C333 WeakPolarHBondContact SG-CB 3.27Å; C133-C333 CovalentContact SG-SG 2.05Å; C133-C333 PolarHBondContact SG-SG 3.21Å; H331-C333 PolarHBondContact O-N 3.38Å; H331-C333 VanDerWaalsContact O-N 3.09Å
334Q97.9Very high97.8Very high35 Ų3524.4 Ų24.416%0.16412%0.116CC..THydrogen-bonded Turntrans-101.3-18.6173.2-68.27632.900112.6G142 K143 R145 F147 I150 H331G142-Q334 PolarHBondContact O-NE2 3.37Å; K143-Q334 PolarHBondContact O-NE2 3.18Å; R145-Q334 HydrophobicContact CG-CG 4.44Å; R145-Q334 VanDerWaalsContact O-CG 3.23Å; R145-Q334 WeakPolarHBondContact O-CG 3.29Å; R145-Q334 PolarHBondContact O-NE2 2.86Å; F147-Q334 HydrophobicContact CB-CB 4.42Å; I150-Q334 HydrophobicContact CD1-CB 3.93Å; I150-Q334 HydrophobicContact CD1-CG 4Å; H331-Q334 HydrophobicContact CB-CB 4.22Å; H331-Q334 PolarHBondContact O-N 3.03Å
335I98.3Very high97.5Very high3 Ų324.3 Ų24.32%0.01512%0.12CC..SBendtrans-122.2116.1-176.9-62.2176.1000108.8F147 L158 L236 K241 H331 Y337F147-I335 HydrophobicContact CD2-CG1 4.29Å; F147-I335 HydrophobicContact CE2-CD1 4.27Å; F147-I335 HydrophobicContact CE2-CG1 4.36Å; L158-I335 HydrophobicContact CD1-CD1 3.61Å; L158-I335 HydrophobicContact CD2-CD1 3.92Å; L158-I335 HydrophobicContact CG-CD1 4.4Å; L236-I335 HydrophobicContact CD2-CD1 4.27Å; L236-I335 HydrophobicContact CD2-CG1 4.13Å; L236-I335 HydrophobicContact CD2-CG2 3.87Å; K241-I335 HydrophobicContact CD-CG2 4.24Å; H331-I335 HydrophobicContact CB-CD1 4.34Å; H331-I335 PolarHBondContact O-N 3.21Å; I335-Y337 HydrophobicContact CB-CD2 4.33Å; I335-Y337 HydrophobicContact CB-CE2 3.79Å; I335-Y337 HydrophobicContact CG2-CD1 4.46Å; I335-Y337 HydrophobicContact CG2-CD2 3.99Å; I335-Y337 HydrophobicContact CG2-CE1 4.16Å; I335-Y337 HydrophobicContact CG2-CE2 3.64Å; I335-Y337 HydrophobicContact CG2-CG 4.38Å; I335-Y337 VanDerWaalsContact O-CD2 3.22Å; I335-Y337 WeakPolarHBondContact O-CD2 3.27Å; I335-Y337 PolarHBondContact O-N 3Å; I335-Y337 VanDerWaalsContact O-N 3.14Å
336Q97.7Very high97.3Very high129 Ų12924.7 Ų24.760%0.60312%0.124SC*.  trans-76.399.4174.5-171.4176.636.700109.6K241K241-Q336 WeakPolarHBondContact CD-O 3.47Å; K241-Q336 WeakPolarHBondContact CE-O 3.47Å
337Y98.6Very high96.9Very high5 Ų530.4 Ų30.42%0.0215%0.15CC..  trans-74.2139.6177.7-72.9-86.2000112.2R126 L129 C169 K241 L243 C330 P332 I335R126-Y337 PolarHBondContact NE-O 3.2Å; L129-Y337 HydrophobicContact CD2-CD2 4.29Å; C169-Y337 HydrophobicContact CB-CE1 3.9Å; C169-Y337 VanDerWaalsContact CB-OH 3.22Å; C169-Y337 WeakPolarHBondContact CB-OH 3.23Å; K241-Y337 HydrophobicContact CB-CD1 3.96Å; K241-Y337 HydrophobicContact CB-CE1 4.39Å; L243-Y337 HydrophobicContact CB-CD1 4.46Å; L243-Y337 HydrophobicContact CB-CE1 4.17Å; L243-Y337 HydrophobicContact CD2-CD1 3.34Å; L243-Y337 HydrophobicContact CD2-CD2 3.61Å; L243-Y337 HydrophobicContact CD2-CE1 3.59Å; L243-Y337 HydrophobicContact CD2-CE2 3.84Å; L243-Y337 HydrophobicContact CD2-CG 3.35Å; L243-Y337 HydrophobicContact CG-CD1 4.5Å; L243-Y337 HydrophobicContact CG-CE1 4.49Å; C330-Y337 HydrophobicContact CB-CE2 4.48Å; C330-Y337 WeakPolarHBondContact CB-OH 3.33Å; C330-Y337 WeakPolarHBondContact O-CE2 3.41Å; C330-Y337 PolarHBondContact O-OH 3.46Å; P332-Y337 HydrophobicContact CB-CD2 4.41Å; P332-Y337 HydrophobicContact CB-CE2 4.32Å; I335-Y337 HydrophobicContact CB-CD2 4.33Å; I335-Y337 HydrophobicContact CB-CE2 3.79Å; I335-Y337 HydrophobicContact CG2-CD1 4.46Å; I335-Y337 HydrophobicContact CG2-CD2 3.99Å; I335-Y337 HydrophobicContact CG2-CE1 4.16Å; I335-Y337 HydrophobicContact CG2-CE2 3.64Å; I335-Y337 HydrophobicContact CG2-CG 4.38Å; I335-Y337 VanDerWaalsContact O-CD2 3.22Å; I335-Y337 WeakPolarHBondContact O-CD2 3.27Å; I335-Y337 PolarHBondContact O-N 3Å; I335-Y337 VanDerWaalsContact O-N 3.14Å
338D98.5Very high96.7Very high42 Ų4234.1 Ų34.123%0.22517%0.168CC..SBendtrans-90.3-18.6178-58.1-55.1000112.3R126 T240 K241R126-D338 VanDerWaalsContact CD-O 3.27Å; R126-D338 WeakPolarHBondContact CD-O 3.38Å; T240-D338 VanDerWaalsContact CA-OD2 3.31Å; T240-D338 WeakPolarHBondContact CA-OD2 3.35Å; T240-D338 HydrophobicContact CG2-CB 3.98Å; K241-D338 WeakPolarHBondContact CE-OD2 3.37Å; K241-D338 PolarHBondContact N-OD2 3.18Å; K241-D338 IonicContact NZ-OD1 2.76Å; K241-D338 IonicContact NZ-OD2 2.64Å; K241-D338 PolarHBondContact NZ-OD2 2.68Å; K241-D338 PolarHBondContact O-N 3.25Å
339F98.7Very high96.6Very high2 Ų231.8 Ų31.81%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-150.7135.7179.4-168.2-82.1000111.3Q122 K241 F242 L243 F244 D349 H352 L353 L356Q122-F339 VanDerWaalsContact CD-CZ 3.48Å; Q122-F339 HydrophobicContact CG-CD2 3.9Å; Q122-F339 HydrophobicContact CG-CE2 3.51Å; Q122-F339 HydrophobicContact CG-CZ 4.02Å; Q122-F339 VanDerWaalsContact NE2-CZ 3.26Å; K241-F339 PolarHBondContact O-N 3.14Å; F242-F339 VanDerWaalsContact CA-O 3.32Å; F242-F339 WeakPolarHBondContact CA-O 3.38Å; F242-F339 HydrophobicContact CB-CB 3.83Å; F242-F339 HydrophobicContact CB-CD1 4.44Å; L243-F339 PolarHBondContact N-O 3.47Å; F244-F339 HydrophobicContact CE2-CE1 4.3Å; F244-F339 HydrophobicContact CZ-CE1 4.08Å; F339-D349 HydrophobicContact CE1-CB 4.07Å; F339-D349 HydrophobicContact CZ-CB 3.98Å; F339-D349 WeakPolarHBondContact CZ-O 3.44Å; F339-H352 HydrophobicContact CE2-CB 4.38Å; F339-H352 AromaticContact CE2-CG 3.96Å; F339-H352 AromaticContact CE2-ND1 3.7Å; F339-L353 HydrophobicContact CB-CD1 3.96Å; F339-L353 HydrophobicContact CD1-CB 4.25Å; F339-L353 HydrophobicContact CD1-CD1 4.15Å; F339-L353 HydrophobicContact CD1-CD2 4.09Å; F339-L353 HydrophobicContact CD1-CG 4.4Å; F339-L353 HydrophobicContact CD2-CB 4.31Å; F339-L353 HydrophobicContact CD2-CD1 4.02Å; F339-L353 HydrophobicContact CE1-CB 3.98Å; F339-L353 HydrophobicContact CE1-CD2 4.35Å; F339-L353 HydrophobicContact CE2-CB 4.01Å; F339-L353 HydrophobicContact CG-CB 4.43Å; F339-L353 HydrophobicContact CG-CD1 3.79Å; F339-L353 HydrophobicContact CG-CG 4.48Å; F339-L353 HydrophobicContact CZ-CB 3.86Å; F339-L356 HydrophobicContact CD2-CD2 4.26Å
340V98.7Very high96.5Very high2 Ų231.6 Ų31.61%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-126.1103.3176.9-176.50000108.4Q122 R125 L129 L243 V245 F404Q122-V340 PolarHBondContact NE2-O 3.4Å; Q122-V340 PolarHBondContact OE1-O 3.46Å; R125-V340 HydrophobicContact CB-CB 4.2Å; R125-V340 WeakPolarHBondContact CD-O 3.44Å; R125-V340 PolarHBondContact NH1-O 3.4Å; L129-V340 HydrophobicContact CD2-CG2 4.45Å; L243-V340 HydrophobicContact CD2-CG2 4.26Å; V245-V340 HydrophobicContact CG2-CG1 4.14Å; V340-F404 HydrophobicContact CG1-CD1 4.04Å; V340-F404 HydrophobicContact CG1-CE1 4.46Å
341G98.1Very high96.3Very high0 Ų036.5 Ų36.50%018%0.181CC..EExtended strand (participates in β ladder)trans-86.3147176.500000111.9L243 F244 V245 D349L243-G341 PolarHBondContact O-N 2.77Å; F244-G341 CarbonylContact C-O 3.34Å; F244-G341 VanDerWaalsContact CA-O 3.26Å; F244-G341 WeakPolarHBondContact CA-O 3.38Å; V245-G341 VanDerWaalsContact CG2-O 3.28Å; V245-G341 WeakPolarHBondContact CG2-O 3.39Å; V245-G341 PolarHBondContact N-O 2.62Å; G341-D349 WeakPolarHBondContact CA-OD2 3.45Å
342H97.4Very high96.1Very high20 Ų2037.1 Ų37.19%0.09318%0.184CC..EExtended strand (participates in β ladder)trans-109.8141.7171.6-78.9-137000108.9R125 V245 E344 T345 A346 D349 F404 Y406R125-H342 PolarHBondContact NE-CD2 3.35Å; R125-H342 VanDerWaalsContact NE-CD2 3.31Å; R125-H342 PolarHBondContact NE-NE2 3.04Å; V245-H342 CarbonylContact O-C 3.51Å; H342-E344 WeakPolarHBondContact CB-OE2 2.96Å; H342-E344 IonicContact ND1-OE2 3.33Å; H342-E344 PolarHBondContact O-N 3.41Å; H342-T345 CarbonylContact O-C 3.59Å; H342-T345 PolarHBondContact O-N 2.96Å; H342-A346 WeakPolarHBondContact O-CA 3.36Å; H342-A346 PolarHBondContact O-N 3.27Å; H342-D349 PolarHBondContact N-OD2 3.35Å; H342-F404 PolarHBondContact CE1-O 3.24Å; H342-F404 PolarHBondContact NE2-O 3.26Å; H342-Y406 AromaticContact CE1-CZ 3.6Å; H342-Y406 PolarHBondContact CE1-OH 2.84Å; H342-Y406 AromaticContact ND1-CE1 3.8Å; H342-Y406 AromaticContact ND1-CZ 3.52Å; H342-Y406 PolarHBondContact ND1-OH 2.9Å; H342-Y406 VanDerWaalsContact ND1-OH 3.09Å
343L94.3Very high96.1Very high16 Ų1636.8 Ų36.88%0.08418%0.181CC..G310 helixtrans-63.9-32.8178.6-175.666.7000111.2A175 V245 R246 T345 A346A175-L343 HydrophobicContact CB-CD1 3.7Å; V245-L343 PolarHBondContact O-N 3.23Å; R246-L343 HydrophobicContact CB-CB 4.02Å; R246-L343 HydrophobicContact CB-CD2 4.41Å; R246-L343 HydrophobicContact CG-CB 4.11Å; R246-L343 HydrophobicContact CG-CD2 4Å; L343-T345 PolarHBondContact O-N 3.44Å; L343-A346 HydrophobicContact CD1-CB 4.14Å; L343-A346 VanDerWaalsContact O-CB 3.27Å; L343-A346 WeakPolarHBondContact O-CB 3.44Å; L343-A346 PolarHBondContact O-N 3.1Å
344E93.1Very high96Very high102 Ų10235.4 Ų35.448%0.47717%0.172SC..G310 helixtrans-61.4-28.2178.4-60.974.8-163.700111.8R246 D247 H342 Y406R246-E344 WeakPolarHBondContact CG-OE1 3.35Å; D247-E344 PolarHBondContact N-OE1 3.43Å; H342-E344 WeakPolarHBondContact CB-OE2 2.96Å; H342-E344 IonicContact ND1-OE2 3.33Å; H342-E344 PolarHBondContact O-N 3.41Å; E344-Y406 PolarHBondContact OE2-OH 3.06Å
345T93.8Very high95.7Very high36 Ų3637.6 Ų37.622%0.22118%0.179CC..G310 helixtrans-119.429.4176.853.90000111.7R125 H342 L343 E347 E348 D349R125-T345 PolarHBondContact NH2-OG1 3.06Å; R125-T345 VanDerWaalsContact NH2-OG1 3.07Å; H342-T345 CarbonylContact O-C 3.59Å; H342-T345 PolarHBondContact O-N 2.96Å; L343-T345 PolarHBondContact O-N 3.44Å; T345-E347 VanDerWaalsContact C-N 3.33Å; T345-E347 PolarHBondContact O-N 2.85Å; T345-E348 PolarHBondContact O-N 3.45Å; T345-D349 VanDerWaalsContact O-CB 3.31Å; T345-D349 WeakPolarHBondContact O-CB 3.46Å; T345-D349 PolarHBondContact O-N 3.17Å; T345-D349 PolarHBondContact OG1-OD2 3.42Å
346A92.6Very high95.5Very high11 Ų1141.6 Ų41.69%0.09120%0.199CC..Hα-helixtrans-59.9-38.3-166.400000114.3H342 L343 A350 F365H342-A346 WeakPolarHBondContact O-CA 3.36Å; H342-A346 PolarHBondContact O-N 3.27Å; L343-A346 HydrophobicContact CD1-CB 4.14Å; L343-A346 VanDerWaalsContact O-CB 3.27Å; L343-A346 WeakPolarHBondContact O-CB 3.44Å; L343-A346 PolarHBondContact O-N 3.1Å; A346-A350 WeakPolarHBondContact O-CB 3.27Å; A346-A350 PolarHBondContact O-N 3.44Å; A346-F365 HydrophobicContact CB-CE1 4.49Å
347E91.3Very high95.3Very high124 Ų12436 Ų3658%0.57917%0.174SC*.Hα-helixtrans-66.8-52.4-177.7-64.3-177.8175.300110.8T345 D349 A350 E351 T367T345-E347 VanDerWaalsContact C-N 3.33Å; T345-E347 PolarHBondContact O-N 2.85Å; E347-D349 PolarHBondContact O-N 3.02Å; E347-A350 PolarHBondContact O-N 3.16Å; E347-E351 PolarHBondContact O-N 3.36Å; E347-T367 HydrophobicContact CG-CG2 4.44Å
348E93.7Very high95Very high92 Ų9241.9 Ų41.943%0.4320%0.196SC..Hα-helixtrans-61.4-44.6176.4-60.8-179.7164.800112.1L118 R121 T345 A350 E351 H352L118-E348 HydrophobicContact CD2-CB 4.25Å; R121-E348 IonicContact CZ-OE2 3.89Å; R121-E348 IonicContact NH1-OE2 3.25Å; R121-E348 PolarHBondContact NH1-OE2 3.5Å; R121-E348 IonicContact NH2-OE2 2.94Å; R121-E348 PolarHBondContact NH2-OE2 3.32Å; T345-E348 PolarHBondContact O-N 3.45Å; E348-A350 VanDerWaalsContact C-N 3.34Å; E348-A350 PolarHBondContact O-N 2.89Å; E348-E351 PolarHBondContact O-N 2.85Å; E348-H352 WeakPolarHBondContact O-CB 3.4Å; E348-H352 PolarHBondContact O-N 3.25Å
349D96.1Very high94.7Very high0 Ų039.9 Ų39.90%019%0.185CC..Hα-helixtrans-66.4-37.5179.4-79.4-26000111.3Q122 R125 F244 F339 G341 H342 T345 E347 L353Q122-D349 PolarHBondContact NE2-OD1 3.46Å; R125-D349 IonicContact CZ-OD2 3.09Å; R125-D349 VanDerWaalsContact NH1-CG 3.34Å; R125-D349 IonicContact NH1-OD1 2.68Å; R125-D349 PolarHBondContact NH1-OD1 2.92Å; R125-D349 IonicContact NH1-OD2 2.75Å; R125-D349 PolarHBondContact NH1-OD2 2.68Å; R125-D349 IonicContact NH2-OD2 3.37Å; F244-D349 HydrophobicContact CE1-CB 3.82Å; F244-D349 HydrophobicContact CZ-CB 4Å; F339-D349 HydrophobicContact CE1-CB 4.07Å; F339-D349 HydrophobicContact CZ-CB 3.98Å; F339-D349 WeakPolarHBondContact CZ-O 3.44Å; G341-D349 WeakPolarHBondContact CA-OD2 3.45Å; H342-D349 PolarHBondContact N-OD2 3.35Å; T345-D349 VanDerWaalsContact O-CB 3.31Å; T345-D349 WeakPolarHBondContact O-CB 3.46Å; T345-D349 PolarHBondContact O-N 3.17Å; T345-D349 PolarHBondContact OG1-OD2 3.42Å; E347-D349 PolarHBondContact O-N 3.02Å; D349-L353 VanDerWaalsContact O-CB 3.25Å; D349-L353 WeakPolarHBondContact O-CB 3.48Å; D349-L353 PolarHBondContact O-N 3.19Å
350A95.6Very high94.3Very high0 Ų041.6 Ų41.60%019%0.194CC..Hα-helixtrans-69.9-44.1177.600000111.6W179 A346 E347 E348 H352 L353 L354 F365W179-A350 HydrophobicContact CH2-CB 3.96Å; W179-A350 HydrophobicContact CZ2-CB 3.6Å; A346-A350 WeakPolarHBondContact O-CB 3.27Å; A346-A350 PolarHBondContact O-N 3.44Å; E347-A350 PolarHBondContact O-N 3.16Å; E348-A350 VanDerWaalsContact C-N 3.34Å; E348-A350 PolarHBondContact O-N 2.89Å; A350-H352 VanDerWaalsContact C-N 3.34Å; A350-H352 PolarHBondContact O-N 2.89Å; A350-L353 PolarHBondContact O-N 3.47Å; A350-L354 WeakPolarHBondContact O-CB 3.21Å; A350-L354 VanDerWaalsContact O-CG 3.23Å; A350-L354 WeakPolarHBondContact O-CG 3.48Å; A350-L354 PolarHBondContact O-N 3.41Å; A350-F365 HydrophobicContact CB-CB 3.5Å; A350-F365 VanDerWaalsContact CB-CB 3.5Å; A350-F365 HydrophobicContact CB-CD1 3.89Å; A350-F365 HydrophobicContact CB-CD2 3.59Å; A350-F365 HydrophobicContact CB-CE2 4.28Å; A350-F365 HydrophobicContact CB-CG 3.37Å
351E93.6Very high93.8Very high104 Ų10445.7 Ų45.749%0.48622%0.216SC..Hα-helixtrans-58.8-47175.2-170-166.3157.100110.9E347 E348 L353 L354 R355E347-E351 PolarHBondContact O-N 3.36Å; E348-E351 PolarHBondContact O-N 2.85Å; E351-L353 PolarHBondContact O-N 2.83Å; E351-L354 PolarHBondContact O-N 3.27Å; E351-R355 PolarHBondContact O-N 2.81Å; E351-R355 VanDerWaalsContact O-N 3.1Å; E351-R355 IonicContact OE1-CZ 3.4Å; E351-R355 VanDerWaalsContact OE1-CZ 3.29Å; E351-R355 IonicContact OE1-NH1 3.01Å; E351-R355 PolarHBondContact OE1-NH1 3.27Å; E351-R355 IonicContact OE1-NH2 3.64Å
352H95.3Very high93.4Very high14 Ų1447.9 Ų47.97%0.06523%0.229CC..Hα-helixtrans-59-48.7176.3-179.6-170.2000111.4V114 L118 F339 E348 A350 R355 L356V114-H352 VanDerWaalsContact CG1-CD2 3.5Å; V114-H352 WeakPolarHBondContact CG1-CD2 3.44Å; L118-H352 HydrophobicContact CD1-CB 4.3Å; L118-H352 PolarHBondContact O-CE1 2.87Å; L118-H352 VanDerWaalsContact O-CE1 3.31Å; F339-H352 HydrophobicContact CE2-CB 4.38Å; F339-H352 AromaticContact CE2-CG 3.96Å; F339-H352 AromaticContact CE2-ND1 3.7Å; E348-H352 WeakPolarHBondContact O-CB 3.4Å; E348-H352 PolarHBondContact O-N 3.25Å; A350-H352 VanDerWaalsContact C-N 3.34Å; A350-H352 PolarHBondContact O-N 2.89Å; H352-R355 PolarHBondContact O-N 2.94Å; H352-L356 WeakPolarHBondContact O-CB 3.35Å; H352-L356 PolarHBondContact O-N 3Å
353L96.7Very high93.1Very high0 Ų047.2 Ų47.20%023%0.227CC..Hα-helixtrans-63-45.1-179.3177.459.9000112W179 F242 F244 F339 D349 A350 E351 R355 L356 L357W179-L353 HydrophobicContact CH2-CB 4.48Å; W179-L353 HydrophobicContact CH2-CD2 3.62Å; W179-L353 HydrophobicContact CH2-CG 4.32Å; W179-L353 HydrophobicContact CZ2-CD2 4.1Å; W179-L353 HydrophobicContact CZ3-CD2 4.05Å; F242-L353 HydrophobicContact CB-CD1 4.31Å; F242-L353 HydrophobicContact CB-CD2 4.05Å; F242-L353 HydrophobicContact CD1-CD2 3.97Å; F242-L353 HydrophobicContact CD2-CD2 3.35Å; F242-L353 HydrophobicContact CE1-CD2 4.2Å; F242-L353 HydrophobicContact CE2-CD2 3.63Å; F242-L353 HydrophobicContact CG-CD1 4.38Å; F242-L353 HydrophobicContact CG-CD2 3.53Å; F242-L353 HydrophobicContact CZ-CD2 4.05Å; F244-L353 HydrophobicContact CE2-CD2 3.83Å; F244-L353 HydrophobicContact CZ-CD2 4.44Å; F339-L353 HydrophobicContact CB-CD1 3.96Å; F339-L353 HydrophobicContact CD1-CB 4.25Å; F339-L353 HydrophobicContact CD1-CD1 4.15Å; F339-L353 HydrophobicContact CD1-CD2 4.09Å; F339-L353 HydrophobicContact CD1-CG 4.4Å; F339-L353 HydrophobicContact CD2-CB 4.31Å; F339-L353 HydrophobicContact CD2-CD1 4.02Å; F339-L353 HydrophobicContact CE1-CB 3.98Å; F339-L353 HydrophobicContact CE1-CD2 4.35Å; F339-L353 HydrophobicContact CE2-CB 4.01Å; F339-L353 HydrophobicContact CG-CB 4.43Å; F339-L353 HydrophobicContact CG-CD1 3.79Å; F339-L353 HydrophobicContact CG-CG 4.48Å; F339-L353 HydrophobicContact CZ-CB 3.86Å; D349-L353 VanDerWaalsContact O-CB 3.25Å; D349-L353 WeakPolarHBondContact O-CB 3.48Å; D349-L353 PolarHBondContact O-N 3.19Å; A350-L353 PolarHBondContact O-N 3.47Å; E351-L353 PolarHBondContact O-N 2.83Å; L353-R355 VanDerWaalsContact C-N 3.28Å; L353-R355 PolarHBondContact O-N 3.48Å; L353-L356 HydrophobicContact CD1-CD2 4.48Å; L353-L356 WeakPolarHBondContact O-CB 3.23Å; L353-L356 PolarHBondContact O-N 2.61Å; L353-L356 VanDerWaalsContact O-N 3.16Å; L353-L357 HydrophobicContact CD1-CD1 3.78Å; L353-L357 HydrophobicContact CD1-CD2 4.47Å; L353-L357 HydrophobicContact CD1-CG 3.83Å; L353-L357 HydrophobicContact CD2-CD1 4.44Å; L353-L357 HydrophobicContact CG-CD1 3.78Å; L353-L357 HydrophobicContact CG-CG 4.26Å; L353-L357 WeakPolarHBondContact O-CB 3.41Å; L353-L357 VanDerWaalsContact O-CG 3.26Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.11Å
354L95.3Very high93Very high6 Ų653.8 Ų53.83%0.03126%0.257CS..Hα-helixtrans-63.8-35-179.6-66.4175.5000111.8W179 I182 A350 E351 L357 R358 V359 D360 V363 F365W179-L354 HydrophobicContact CH2-CD2 4.27Å; W179-L354 HydrophobicContact CH2-CG 4.39Å; W179-L354 HydrophobicContact CZ3-CD2 4.04Å; I182-L354 HydrophobicContact CG2-CD2 4.43Å; A350-L354 WeakPolarHBondContact O-CB 3.21Å; A350-L354 VanDerWaalsContact O-CG 3.23Å; A350-L354 WeakPolarHBondContact O-CG 3.48Å; A350-L354 PolarHBondContact O-N 3.41Å; E351-L354 PolarHBondContact O-N 3.27Å; L354-L357 CarbonylContact O-C 3.58Å; L354-R358 PolarHBondContact O-N 3.25Å; L354-V359 HydrophobicContact CB-CG2 4.41Å; L354-V359 HydrophobicContact CD2-CG2 3.71Å; L354-V359 PolarHBondContact O-N 3.48Å; L354-D360 HydrophobicContact CB-CB 4.07Å; L354-D360 PolarHBondContact O-N 3.01Å; L354-V363 HydrophobicContact CD2-CG2 3.94Å; L354-F365 HydrophobicContact CD1-CB 4.24Å
355R93.5Very high92.9Very high82 Ų8249.9 Ų49.931%0.30924%0.239SC..Hα-helixtrans-67.3-43.7170.7-77.7-176.6156.5147.43.4112.9E351 H352 L353 L357 R358 D360E351-R355 PolarHBondContact O-N 2.81Å; E351-R355 VanDerWaalsContact O-N 3.1Å; E351-R355 IonicContact OE1-CZ 3.4Å; E351-R355 VanDerWaalsContact OE1-CZ 3.29Å; E351-R355 IonicContact OE1-NH1 3.01Å; E351-R355 PolarHBondContact OE1-NH1 3.27Å; E351-R355 IonicContact OE1-NH2 3.64Å; H352-R355 PolarHBondContact O-N 2.94Å; L353-R355 VanDerWaalsContact C-N 3.28Å; L353-R355 PolarHBondContact O-N 3.48Å; R355-L357 VanDerWaalsContact C-N 3.27Å; R355-L357 PolarHBondContact O-N 2.82Å; R355-R358 WeakPolarHBondContact O-CA 3.27Å; R355-R358 PolarHBondContact O-N 2.74Å; R355-D360 HydrophobicContact CG-CB 4.27Å
356L92.6Very high92.6Very high87 Ų8748.7 Ų48.746%0.45523%0.232SC..Hα-helixtrans-59.8-42176.4178.967.2000111.1F339 H352 L353 R358F339-L356 HydrophobicContact CD2-CD2 4.26Å; H352-L356 WeakPolarHBondContact O-CB 3.35Å; H352-L356 PolarHBondContact O-N 3Å; L353-L356 HydrophobicContact CD1-CD2 4.48Å; L353-L356 WeakPolarHBondContact O-CB 3.23Å; L353-L356 PolarHBondContact O-N 2.61Å; L353-L356 VanDerWaalsContact O-N 3.16Å; L356-R358 PolarHBondContact O-N 2.99Å
357L93.3Very high91.8Very high11 Ų1152 Ų526%0.05825%0.251CS..THydrogen-bonded Turntrans-75.3-10.6175-67.3176.1000112.9W107 I166 T240 F242 L353 L354 R355 V359W107-L357 WeakPolarHBondContact CZ3-O 3.22Å; I166-L357 HydrophobicContact CD1-CD1 3.86Å; I166-L357 HydrophobicContact CD1-CD2 4.09Å; I166-L357 HydrophobicContact CD1-CG 4.4Å; I166-L357 HydrophobicContact CG1-CD1 4.38Å; I166-L357 HydrophobicContact CG1-CD2 3.84Å; T240-L357 HydrophobicContact CG2-CD2 3.61Å; F242-L357 HydrophobicContact CE1-CD1 4.49Å; L353-L357 HydrophobicContact CD1-CD1 3.78Å; L353-L357 HydrophobicContact CD1-CD2 4.47Å; L353-L357 HydrophobicContact CD1-CG 3.83Å; L353-L357 HydrophobicContact CD2-CD1 4.44Å; L353-L357 HydrophobicContact CG-CD1 3.78Å; L353-L357 HydrophobicContact CG-CG 4.26Å; L353-L357 WeakPolarHBondContact O-CB 3.41Å; L353-L357 VanDerWaalsContact O-CG 3.26Å; L353-L357 WeakPolarHBondContact O-CG 3.47Å; L353-L357 PolarHBondContact O-N 3.11Å; L354-L357 CarbonylContact O-C 3.58Å; R355-L357 VanDerWaalsContact C-N 3.27Å; R355-L357 PolarHBondContact O-N 2.82Å; L357-V359 VanDerWaalsContact C-N 3.26Å; L357-V359 HydrophobicContact CB-CG2 3.85Å; L357-V359 PolarHBondContact O-N 3Å
358R92.2Very high90.4Very high128 Ų12848.5 Ų48.548%0.48324%0.24SC..THydrogen-bonded Turntrans56.235.9-177.8-55.8-179.6-172.3-170.3-0.9113.9W107 L354 R355 L356W107-R358 HydrophobicContact CB-CB 4.45Å; W107-R358 HydrophobicContact CD2-CB 4.39Å; W107-R358 HydrophobicContact CE3-CB 3.47Å; W107-R358 VanDerWaalsContact CE3-CB 3.47Å; W107-R358 HydrophobicContact CE3-CG 4.48Å; W107-R358 HydrophobicContact CZ3-CB 4.07Å; L354-R358 PolarHBondContact O-N 3.25Å; R355-R358 WeakPolarHBondContact O-CA 3.27Å; R355-R358 PolarHBondContact O-N 2.74Å; L356-R358 PolarHBondContact O-N 2.99Å
359V92.5Very high88.5Confident1 Ų152.9 Ų52.91%0.00626%0.26CS..  trans-116.16.7178.6-62.90000112.8W107 L186 L354 L357 N361 V362 V363W107-V359 HydrophobicContact CZ3-CG1 4.22Å; L186-V359 HydrophobicContact CD1-CG2 4.36Å; L186-V359 HydrophobicContact CD2-CB 3.88Å; L186-V359 HydrophobicContact CD2-CG1 3.94Å; L186-V359 HydrophobicContact CD2-CG2 4.28Å; L354-V359 HydrophobicContact CB-CG2 4.41Å; L354-V359 HydrophobicContact CD2-CG2 3.71Å; L354-V359 PolarHBondContact O-N 3.48Å; L357-V359 VanDerWaalsContact C-N 3.26Å; L357-V359 HydrophobicContact CB-CG2 3.85Å; L357-V359 PolarHBondContact O-N 3Å; V359-N361 PolarHBondContact O-N 3.17Å; V359-N361 VanDerWaalsContact O-N 3.16Å; V359-V362 WeakPolarHBondContact O-CA 3.35Å; V359-V362 WeakPolarHBondContact O-CB 3.26Å; V359-V362 PolarHBondContact O-N 3.03Å; V359-V363 HydrophobicContact CB-CG2 4.27Å; V359-V363 HydrophobicContact CG2-CG2 4.02Å; V359-V363 WeakPolarHBondContact O-CG2 3.49Å; V359-V363 PolarHBondContact O-N 2.96Å
360D90.7Very high86.6Confident37 Ų3761.8 Ų61.820%0.19829%0.294CS..THydrogen-bonded Turntrans-68.3-6.9179.664.5-72.5000114K108 H110 L354 R355K108-D360 IonicContact NZ-OD2 3.51Å; K108-D360 PolarHBondContact NZ-OD2 3.34Å; H110-D360 IonicContact CD2-OD1 2.73Å; H110-D360 VanDerWaalsContact CE1-CG 3.44Å; H110-D360 IonicContact CE1-OD1 3.65Å; H110-D360 PolarHBondContact CE1-OD1 2.75Å; H110-D360 VanDerWaalsContact CE1-OD1 3.27Å; H110-D360 IonicContact CE1-OD2 2.73Å; H110-D360 PolarHBondContact CE1-OD2 2.9Å; H110-D360 VanDerWaalsContact NE2-CG 3.34Å; H110-D360 IonicContact NE2-OD1 3.68Å; H110-D360 PolarHBondContact NE2-OD1 2.89Å; H110-D360 IonicContact NE2-OD2 3.35Å; H110-D360 PolarHBondContact NE2-OD2 2.92Å; L354-D360 HydrophobicContact CB-CB 4.07Å; L354-D360 PolarHBondContact O-N 3.01Å; R355-D360 HydrophobicContact CG-CB 4.27Å
361N88.4Confident84.8Confident89 Ų8968.8 Ų68.848%0.47633%0.331SS..THydrogen-bonded Turntrans-91.1-11.3166.263.4-47.2000113.7K108 V359K108-N361 HydrophobicContact CB-CB 4.48Å; K108-N361 HydrophobicContact CD-CB 3.93Å; V359-N361 PolarHBondContact O-N 3.17Å; V359-N361 VanDerWaalsContact O-N 3.16Å
362V88.8Confident83.6Confident45 Ų4568.8 Ų68.827%0.27333%0.334SS..THydrogen-bonded Turntrans-103.4-39-177.8-174.60000110.6L186 V359L186-V362 HydrophobicContact CD2-CG1 4.29Å; V359-V362 WeakPolarHBondContact O-CA 3.35Å; V359-V362 WeakPolarHBondContact O-CB 3.26Å; V359-V362 PolarHBondContact O-N 3.03Å
363V91.8Very high82.4Confident7 Ų768.5 Ų68.54%0.04233%0.333CS..  trans-141.1148.8-174.4-71.90000110.8I182 V185 L186 P200 L354 V359I182-V363 HydrophobicContact CG2-CB 4.49Å; I182-V363 HydrophobicContact CG2-CG2 4.03Å; V185-V363 HydrophobicContact CB-CG1 3.92Å; V185-V363 HydrophobicContact CG1-CG1 3.43Å; V185-V363 VanDerWaalsContact CG1-CG1 3.43Å; L186-V363 HydrophobicContact CD2-CG1 4.19Å; L186-V363 HydrophobicContact CD2-CG2 3.89Å; L186-V363 HydrophobicContact CG-CG2 4.4Å; P200-V363 HydrophobicContact CG-CG1 4.48Å; L354-V363 HydrophobicContact CD2-CG2 3.94Å; V359-V363 HydrophobicContact CB-CG2 4.27Å; V359-V363 HydrophobicContact CG2-CG2 4.02Å; V359-V363 WeakPolarHBondContact O-CG2 3.49Å; V359-V363 PolarHBondContact O-N 2.96Å
364E91.6Very high81.4Confident154 Ų15470 Ų7072%0.7235%0.346SS*.  trans-117.2151.5167.8-171.4175.6176.600109P366E364-P366 VanDerWaalsContact O-CD 3.28Å; E364-P366 WeakPolarHBondContact O-CD 3.38Å
365F91.7Very high80.4Confident20 Ų2073.7 Ų73.79%0.08837%0.372CS..  trans-72.3121.6175-172.7-102000110.2A175 N178 W179 I182 A346 A350 L354 T367A175-F365 HydrophobicContact CB-CZ 3.9Å; N178-F365 HydrophobicContact CB-CE2 3.88Å; N178-F365 HydrophobicContact CB-CZ 4.05Å; W179-F365 AromaticContact CD1-CE2 3.93Å; W179-F365 HydrophobicContact CD2-CD2 4.39Å; W179-F365 HydrophobicContact CD2-CE2 4.09Å; W179-F365 AromaticContact CE2-CD2 3.9Å; W179-F365 AromaticContact CE2-CE2 3.55Å; W179-F365 HydrophobicContact CG-CE2 4.28Å; W179-F365 HydrophobicContact CH2-CD2 4.23Å; W179-F365 AromaticContact CZ2-CD2 3.8Å; W179-F365 HydrophobicContact CZ2-CD2 3.8Å; W179-F365 AromaticContact CZ2-CE2 3.88Å; W179-F365 HydrophobicContact CZ2-CE2 3.88Å; W179-F365 AromaticContact NE1-CE2 3.49Å; I182-F365 HydrophobicContact CD1-CD2 3.72Å; I182-F365 HydrophobicContact CD1-CE2 4.47Å; A346-F365 HydrophobicContact CB-CE1 4.49Å; A350-F365 HydrophobicContact CB-CB 3.5Å; A350-F365 VanDerWaalsContact CB-CB 3.5Å; A350-F365 HydrophobicContact CB-CD1 3.89Å; A350-F365 HydrophobicContact CB-CD2 3.59Å; A350-F365 HydrophobicContact CB-CE2 4.28Å; A350-F365 HydrophobicContact CB-CG 3.37Å; L354-F365 HydrophobicContact CD1-CB 4.24Å; F365-T367 PolarHBondContact O-N 2.97Å
366P87.9Confident79.6Confident11 Ų1173.8 Ų73.87%0.07139%0.385CS..  trans-65.3115.6-179.6-20.331.7000111.1N178 P200 L201 E364 S368N178-P366 HydrophobicContact CB-CG 4.34Å; N178-P366 PolarHBondContact ND2-O 3.36Å; P200-P366 HydrophobicContact CB-CG 3.91Å; L201-P366 HydrophobicContact CD1-CB 4.47Å; L201-P366 HydrophobicContact CD2-CB 3.66Å; L201-P366 HydrophobicContact CD2-CG 4.28Å; L201-P366 HydrophobicContact CG-CB 4Å; L201-P366 HydrophobicContact CG-CG 4.39Å; E364-P366 VanDerWaalsContact O-CD 3.28Å; E364-P366 WeakPolarHBondContact O-CD 3.38Å; P366-S368 PolarHBondContact O-N 3.31Å
367T75.2Confident79.2Confident80 Ų8073.3 Ų73.349%0.49138%0.377SS..  trans-67.8122171.446.30000108.9E347 F365E347-T367 HydrophobicContact CG-CG2 4.44Å; F365-T367 PolarHBondContact O-N 2.97Å
368S62.4Low78.9Confident50 Ų5074 Ų7435%0.3538%0.38SS..  trans-98.7105.6-177.2167.60000109.4P366 R370P366-S368 PolarHBondContact O-N 3.31Å; S368-R370 PolarHBondContact O-N 3.47Å; S368-R370 WeakPolarHBondContact OG-CB 2.97Å; S368-R370 WeakPolarHBondContact OG-CG 3.49Å; S368-R370 PolarHBondContact OG-N 3.3Å
369Q52.5Low78.7Confident184 Ų18471.8 Ų71.886%0.8638%0.381SS*.  trans-66.919.6170.7-62.6-67.4-12.600113.9
370R57.9Low78.6Confident188 Ų18877.4 Ų77.471%0.70941%0.411SS*.SBendtrans-85143.5-179.4-68.3-177.2170.8-165.1-4.7109.5S368 L372S368-R370 PolarHBondContact O-N 3.47Å; S368-R370 WeakPolarHBondContact OG-CB 2.97Å; S368-R370 WeakPolarHBondContact OG-CG 3.49Å; S368-R370 PolarHBondContact OG-N 3.3Å; R370-L372 VanDerWaalsContact C-N 3.31Å; R370-L372 PolarHBondContact O-N 2.85Å
371N57.1Low78.8Confident147 Ų14778 Ų7879%0.78641%0.41SS*.  trans-55.893.8167.4-66.8-12.3000110
372L68.1Low79.2Confident104 Ų10473.7 Ų73.755%0.54539%0.388SS..  trans-62.4135.3173.1-67.9168.2000107.4R370 A374R370-L372 VanDerWaalsContact C-N 3.31Å; R370-L372 PolarHBondContact O-N 2.85Å; L372-A374 PolarHBondContact O-N 3.49Å
373T71.3Confident79.4Confident7 Ų773.7 Ų73.74%0.04340%0.396CS..  trans-55.2113.9168.3-56.20000107.8R246 V250 I253 R257 W377R246-T373 PolarHBondContact NH2-O 3.14Å; V250-T373 HydrophobicContact CG1-CG2 3.81Å; V250-T373 WeakPolarHBondContact CG1-O 3.35Å; I253-T373 HydrophobicContact CB-CG2 4.02Å; I253-T373 HydrophobicContact CG2-CG2 3.53Å; R257-T373 PolarHBondContact NH1-OG1 2.92Å; R257-T373 VanDerWaalsContact NH1-OG1 3.13Å; T373-W377 HydrophobicContact CG2-CE3 3.92Å; T373-W377 HydrophobicContact CG2-CZ3 4.5Å
374A73.8Confident79.5Confident32 Ų3278 Ų7826%0.26442%0.424SS..  trans-79.6149.9-179.300000110.1L372 S376 W377L372-A374 PolarHBondContact O-N 3.49Å; A374-S376 WeakPolarHBondContact CB-OG 3.44Å; A374-S376 PolarHBondContact O-N 3.42Å; A374-W377 HydrophobicContact CB-CG 4.31Å; A374-W377 WeakPolarHBondContact O-CB 3.44Å; A374-W377 PolarHBondContact O-N 3.42Å
375S74.6Confident79.8Confident83 Ų8370.7 Ų70.758%0.5839%0.39SS*.G310 helixtrans-58.1-31.3168.348.60000111.6W377 E378S375-W377 PolarHBondContact O-N 2.71Å; S375-E378 WeakPolarHBondContact O-CB 3.5Å; S375-E378 VanDerWaalsContact O-CG 3.3Å; S375-E378 WeakPolarHBondContact O-CG 3.43Å; S375-E378 PolarHBondContact O-N 3.06Å
376S77.8Confident80Confident84 Ų8473.5 Ų73.559%0.58741%0.41SS*.G310 helixtrans-60-12.2176.6690000114.7A374A374-S376 WeakPolarHBondContact CB-OG 3.44Å; A374-S376 PolarHBondContact O-N 3.42Å
377W83.8Confident80.4Confident78 Ų7875 Ų7530%0.29542%0.419SS..G310 helixtrans-88.9-10.3179.8-58-3.1000112.9T373 A374 S375 T379 D380 W381T373-W377 HydrophobicContact CG2-CE3 3.92Å; T373-W377 HydrophobicContact CG2-CZ3 4.5Å; A374-W377 HydrophobicContact CB-CG 4.31Å; A374-W377 WeakPolarHBondContact O-CB 3.44Å; A374-W377 PolarHBondContact O-N 3.42Å; S375-W377 PolarHBondContact O-N 2.71Å; W377-T379 VanDerWaalsContact C-N 3.3Å; W377-T379 PolarHBondContact O-N 2.96Å; W377-D380 PolarHBondContact O-N 3.42Å; W377-D380 VanDerWaalsContact O-N 3.17Å; W377-W381 AromaticContact CE3-NE1 3.9Å; W377-W381 PolarHBondContact O-N 3.28Å
378E86.5Confident81.4Confident26 Ų2675.9 Ų75.912%0.12142%0.418CS..Hα-helixtrans-56.8-44.3-175.8-70178.6103.500112.1F249 V250 I253 S375 D380 W381 F382 I412F249-E378 WeakPolarHBondContact CB-OE1 3.4Å; V250-E378 VanDerWaalsContact CG2-CD 3.48Å; V250-E378 HydrophobicContact CG2-CG 3.78Å; I253-E378 HydrophobicContact CD1-CG 4.01Å; S375-E378 WeakPolarHBondContact O-CB 3.5Å; S375-E378 VanDerWaalsContact O-CG 3.3Å; S375-E378 WeakPolarHBondContact O-CG 3.43Å; S375-E378 PolarHBondContact O-N 3.06Å; E378-D380 VanDerWaalsContact C-N 3.33Å; E378-D380 PolarHBondContact O-N 2.94Å; E378-W381 PolarHBondContact O-N 2.83Å; E378-F382 HydrophobicContact CB-CD2 4.33Å; E378-F382 WeakPolarHBondContact O-CB 3.45Å; E378-F382 VanDerWaalsContact O-CD2 3.3Å; E378-F382 WeakPolarHBondContact O-CD2 3.32Å; E378-F382 PolarHBondContact O-N 2.96Å; E378-I412 HydrophobicContact CB-CD1 3.97Å; E378-I412 HydrophobicContact CB-CG1 4.35Å
379T87.9Confident83.1Confident80 Ų8074.3 Ų74.349%0.49141%0.408SS..Hα-helixtrans-56.7-45.5177.8-53.80000112W377 G383W377-T379 VanDerWaalsContact C-N 3.3Å; W377-T379 PolarHBondContact O-N 2.96Å; T379-G383 WeakPolarHBondContact O-CA 3.15Å; T379-G383 PolarHBondContact O-N 3.24Å
380D91.3Very high85.3Confident119 Ų11966.5 Ų66.564%0.63637%0.371SS*.Hα-helixtrans-67.5-43.1-179.1-63.5-23.9000111.8W377 E378 P384W377-D380 PolarHBondContact O-N 3.42Å; W377-D380 VanDerWaalsContact O-N 3.17Å; E378-D380 VanDerWaalsContact C-N 3.33Å; E378-D380 PolarHBondContact O-N 2.94Å; D380-P384 WeakPolarHBondContact O-CD 3.3Å
381W94.4Very high87.2Confident49 Ų4962.1 Ų62.119%0.18635%0.354CS..Hα-helixtrans-71.5-38.4-178.6-8098.8000112.6I253 Y256 R257 E261 F301 W377 E378I253-W381 HydrophobicContact CD1-CB 3.69Å; I253-W381 HydrophobicContact CD1-CG 3.87Å; I253-W381 HydrophobicContact CG1-CB 3.9Å; I253-W381 HydrophobicContact CG1-CG 3.92Å; I253-W381 HydrophobicContact CG2-CD2 3.84Å; I253-W381 HydrophobicContact CG2-CG 3.76Å; I253-W381 HydrophobicContact CG2-CZ2 4.42Å; Y256-W381 HydrophobicContact CD1-CE3 4.45Å; Y256-W381 AromaticContact CD1-CH2 3.89Å; Y256-W381 HydrophobicContact CD1-CH2 3.89Å; Y256-W381 AromaticContact CD1-CZ3 3.62Å; Y256-W381 HydrophobicContact CD1-CZ3 3.62Å; Y256-W381 AromaticContact CE1-CH2 3.71Å; Y256-W381 HydrophobicContact CE1-CH2 3.71Å; Y256-W381 AromaticContact CE1-CZ3 3.42Å; Y256-W381 HydrophobicContact CE1-CZ3 3.42Å; Y256-W381 VanDerWaalsContact CE1-CZ3 3.42Å; R257-W381 HydrophobicContact CG-CH2 3.97Å; R257-W381 HydrophobicContact CG-CZ2 3.69Å; E261-W381 VanDerWaalsContact OE1-CH2 3.23Å; E261-W381 WeakPolarHBondContact OE1-CH2 3.39Å; F301-W381 HydrophobicContact CB-CE3 3.59Å; F301-W381 HydrophobicContact CB-CZ3 3.79Å; F301-W381 HydrophobicContact CD1-CB 4.3Å; F301-W381 HydrophobicContact CD1-CE3 4.23Å; F301-W381 VanDerWaalsContact CD1-O 3.27Å; F301-W381 WeakPolarHBondContact CD1-O 3.34Å; F301-W381 HydrophobicContact CD2-CE3 4.09Å; F301-W381 HydrophobicContact CD2-CZ3 4.5Å; F301-W381 HydrophobicContact CE1-CB 4.3Å; F301-W381 AromaticContact CG-CE3 3.72Å; F301-W381 HydrophobicContact CG-CE3 3.72Å; F301-W381 HydrophobicContact CG-CZ3 4.29Å; W377-W381 AromaticContact CE3-NE1 3.9Å; W377-W381 PolarHBondContact O-N 3.28Å; E378-W381 PolarHBondContact O-N 2.83Å
382F95.8Very high89.2Confident0 Ų059 Ų590%034%0.335CS..Hα-helixtrans-86.2-18.9-179.3-77.1-77.6000113.6F249 I253 F301 E378 P384 V385 R390 L393 I412F249-F382 HydrophobicContact CB-CE2 3.77Å; F249-F382 HydrophobicContact CB-CZ 3.95Å; F249-F382 HydrophobicContact CD1-CZ 4.12Å; F249-F382 HydrophobicContact CD2-CD2 4.34Å; F249-F382 HydrophobicContact CD2-CE1 4.27Å; F249-F382 AromaticContact CD2-CE2 3.65Å; F249-F382 HydrophobicContact CD2-CE2 3.65Å; F249-F382 AromaticContact CD2-CZ 3.6Å; F249-F382 HydrophobicContact CD2-CZ 3.6Å; F249-F382 HydrophobicContact CE2-CE1 4.3Å; F249-F382 HydrophobicContact CE2-CE2 4.42Å; F249-F382 HydrophobicContact CE2-CZ 4.06Å; F249-F382 AromaticContact CG-CE2 3.82Å; F249-F382 HydrophobicContact CG-CE2 3.82Å; F249-F382 AromaticContact CG-CZ 3.61Å; F249-F382 HydrophobicContact CG-CZ 3.61Å; F249-F382 HydrophobicContact CZ-CZ 4.5Å; I253-F382 HydrophobicContact CD1-CD2 4.46Å; I253-F382 HydrophobicContact CD1-CE2 4.06Å; I253-F382 HydrophobicContact CG1-CE2 4.4Å; F301-F382 AromaticContact CE1-CD1 3.96Å; F301-F382 HydrophobicContact CE1-CD1 3.96Å; F301-F382 HydrophobicContact CE1-CD2 4.41Å; F301-F382 AromaticContact CE1-CE1 3.69Å; F301-F382 HydrophobicContact CE1-CE1 3.69Å; F301-F382 HydrophobicContact CE1-CE2 4.15Å; F301-F382 HydrophobicContact CE1-CG 4.32Å; F301-F382 AromaticContact CE1-CZ 3.8Å; F301-F382 HydrophobicContact CE1-CZ 3.8Å; F301-F382 HydrophobicContact CZ-CE1 4.1Å; F301-F382 HydrophobicContact CZ-CE2 4.27Å; F301-F382 AromaticContact CZ-CZ 3.83Å; F301-F382 HydrophobicContact CZ-CZ 3.83Å; E378-F382 HydrophobicContact CB-CD2 4.33Å; E378-F382 WeakPolarHBondContact O-CB 3.45Å; E378-F382 VanDerWaalsContact O-CD2 3.3Å; E378-F382 WeakPolarHBondContact O-CD2 3.32Å; E378-F382 PolarHBondContact O-N 2.96Å; F382-P384 VanDerWaalsContact C-N 3.35Å; F382-V385 HydrophobicContact CD1-CB 4.41Å; F382-V385 HydrophobicContact CD1-CG2 4.22Å; F382-V385 WeakPolarHBondContact O-CA 3.33Å; F382-V385 VanDerWaalsContact O-CB 3.29Å; F382-V385 WeakPolarHBondContact O-CB 3.49Å; F382-V385 PolarHBondContact O-N 3.02Å; F382-R390 HydrophobicContact CD1-CG 4.1Å; F382-R390 PolarHBondContact O-NE 3.39Å; F382-R390 PolarHBondContact O-NH2 3.14Å; F382-L393 HydrophobicContact CE1-CD2 3.61Å; F382-L393 HydrophobicContact CZ-CD2 4.02Å; F382-I412 HydrophobicContact CB-CD1 4.47Å; F382-I412 HydrophobicContact CB-CG2 3.68Å; F382-I412 HydrophobicContact CD1-CG2 4.13Å; F382-I412 HydrophobicContact CD2-CG2 3.98Å; F382-I412 HydrophobicContact CG-CG2 3.65Å
383G94.3Very high90.6Very high44 Ų4454.1 Ų54.145%0.45431%0.309SS..THydrogen-bonded Turntrans-46.2-49.8177.600000114.1T379 V385 R390T379-G383 WeakPolarHBondContact O-CA 3.15Å; T379-G383 PolarHBondContact O-N 3.24Å; G383-V385 VanDerWaalsContact C-N 3.25Å; G383-V385 PolarHBondContact O-N 3.28Å; G383-R390 PolarHBondContact O-NH2 3Å
384P94.2Very high91.9Very high97 Ų9754.5 Ų54.563%0.6331%0.31SS*.THydrogen-bonded Turntrans-73.3-5.5177.4-19.733.4000115.8D380 F382D380-P384 WeakPolarHBondContact O-CD 3.3Å; F382-P384 VanDerWaalsContact C-N 3.35Å
385V97.1Very high93Very high2 Ų259.6 Ų59.61%0.01233%0.326CS..SBendtrans-90.5131.6179.9-176.90000109F301 T305 F382 G383 A389 R390F301-V385 HydrophobicContact CD1-CG2 4.02Å; F301-V385 HydrophobicContact CE1-CG2 4.37Å; T305-V385 HydrophobicContact CG2-CG1 3.87Å; F382-V385 HydrophobicContact CD1-CB 4.41Å; F382-V385 HydrophobicContact CD1-CG2 4.22Å; F382-V385 WeakPolarHBondContact O-CA 3.33Å; F382-V385 VanDerWaalsContact O-CB 3.29Å; F382-V385 WeakPolarHBondContact O-CB 3.49Å; F382-V385 PolarHBondContact O-N 3.02Å; G383-V385 VanDerWaalsContact C-N 3.25Å; G383-V385 PolarHBondContact O-N 3.28Å; V385-A389 HydrophobicContact CG1-CB 3.97Å; V385-R390 HydrophobicContact CB-CG 4Å; V385-R390 HydrophobicContact CG1-CG 3.72Å; V385-R390 VanDerWaalsContact O-CZ 3.25Å; V385-R390 PolarHBondContact O-NE 3.17Å; V385-R390 PolarHBondContact O-NH2 3.29Å
386P96.4Very high94.2Very high78 Ų7857.6 Ų57.651%0.50631%0.309SS..  trans-59.6139.1176.6-24.734.3000112.7E388 A389 R390P386-E388 VanDerWaalsContact C-N 3.26Å; P386-E388 PolarHBondContact O-N 3.07Å; P386-E388 VanDerWaalsContact O-N 3.17Å; P386-A389 HydrophobicContact CB-CB 4.38Å; P386-A389 WeakPolarHBondContact O-CA 3.33Å; P386-A389 WeakPolarHBondContact O-CB 3.38Å; P386-A389 PolarHBondContact O-N 3.25Å; P386-R390 WeakPolarHBondContact O-CG 3.38Å; P386-R390 PolarHBondContact O-N 3.24Å
387V96.4Very high95.1Very high43 Ų4353.6 Ų53.626%0.26128%0.281SS..Hα-helixtrans-51.3-43.2-177.7175.90000112.6A389 R390 R391 L413V387-A389 VanDerWaalsContact C-N 3.33Å; V387-A389 PolarHBondContact O-N 3.34Å; V387-R390 WeakPolarHBondContact O-CB 3.36Å; V387-R390 PolarHBondContact O-N 3.48Å; V387-R390 VanDerWaalsContact O-N 3.14Å; V387-R391 WeakPolarHBondContact O-CG 3.45Å; V387-R391 PolarHBondContact O-N 3.24Å; V387-L413 WeakPolarHBondContact CG1-O 3.42Å
388E96.9Very high95.8Very high98 Ų9852.1 Ų52.146%0.45828%0.277SS..Hα-helixtrans-62.9-39.8178.2-17553.9-146.300112.2P386 R390 R391 Q392P386-E388 VanDerWaalsContact C-N 3.26Å; P386-E388 PolarHBondContact O-N 3.07Å; P386-E388 VanDerWaalsContact O-N 3.17Å; E388-R390 VanDerWaalsContact C-N 3.34Å; E388-R390 PolarHBondContact O-N 2.93Å; E388-R391 PolarHBondContact O-N 3.18Å; E388-Q392 WeakPolarHBondContact O-CG 3.49Å; E388-Q392 PolarHBondContact O-N 3.42Å; E388-Q392 PolarHBondContact OE1-NE2 3.19Å; E388-Q392 VanDerWaalsContact OE1-NE2 3.11Å
389A97.8Very high96.4Very high17 Ų1751.5 Ų51.514%0.1428%0.276CS..Hα-helixtrans-65.4-38.1174.300000111.4T305 L309 V385 P386 V387 R391 Q392 L393T305-A389 HydrophobicContact CG2-CB 4.44Å; L309-A389 HydrophobicContact CD1-CB 3.76Å; L309-A389 WeakPolarHBondContact CD1-O 3.45Å; V385-A389 HydrophobicContact CG1-CB 3.97Å; P386-A389 HydrophobicContact CB-CB 4.38Å; P386-A389 WeakPolarHBondContact O-CA 3.33Å; P386-A389 WeakPolarHBondContact O-CB 3.38Å; P386-A389 PolarHBondContact O-N 3.25Å; V387-A389 VanDerWaalsContact C-N 3.33Å; V387-A389 PolarHBondContact O-N 3.34Å; A389-R391 PolarHBondContact O-N 2.9Å; A389-Q392 PolarHBondContact O-N 2.73Å; A389-L393 VanDerWaalsContact O-CB 3.3Å; A389-L393 WeakPolarHBondContact O-CB 3.34Å; A389-L393 PolarHBondContact O-N 3.4Å
390R98Very high96.9Very high20 Ų2047.8 Ų47.88%0.07525%0.252CS..Hα-helixtrans-62.5-41.7174.8-55.4178.5-163.2166.49.9111.8F382 G383 V385 P386 V387 E388 L393 Y394 I412 L413 E415F382-R390 HydrophobicContact CD1-CG 4.1Å; F382-R390 PolarHBondContact O-NE 3.39Å; F382-R390 PolarHBondContact O-NH2 3.14Å; G383-R390 PolarHBondContact O-NH2 3Å; V385-R390 HydrophobicContact CB-CG 4Å; V385-R390 HydrophobicContact CG1-CG 3.72Å; V385-R390 VanDerWaalsContact O-CZ 3.25Å; V385-R390 PolarHBondContact O-NE 3.17Å; V385-R390 PolarHBondContact O-NH2 3.29Å; P386-R390 WeakPolarHBondContact O-CG 3.38Å; P386-R390 PolarHBondContact O-N 3.24Å; V387-R390 WeakPolarHBondContact O-CB 3.36Å; V387-R390 PolarHBondContact O-N 3.48Å; V387-R390 VanDerWaalsContact O-N 3.14Å; E388-R390 VanDerWaalsContact C-N 3.34Å; E388-R390 PolarHBondContact O-N 2.93Å; R390-L393 PolarHBondContact O-N 3.41Å; R390-Y394 PolarHBondContact O-N 3.16Å; R390-I412 WeakPolarHBondContact CD-O 3.21Å; R390-I412 PolarHBondContact NH1-O 3.05Å; R390-L413 HydrophobicContact CB-CD2 4.2Å; R390-L413 WeakPolarHBondContact O-CD2 3.47Å; R390-E415 PolarHBondContact NH1-OXT 3.41Å
391R98.3Very high97.2Very high96 Ų9642.2 Ų42.236%0.36222%0.223SC..Hα-helixtrans-64.4-42.2175.8-70.1172.8178176.3-2.9112.5V387 E388 A389 L393 Y394 K395 L413 N414V387-R391 WeakPolarHBondContact O-CG 3.45Å; V387-R391 PolarHBondContact O-N 3.24Å; E388-R391 PolarHBondContact O-N 3.18Å; A389-R391 PolarHBondContact O-N 2.9Å; R391-L393 VanDerWaalsContact C-N 3.34Å; R391-Y394 PolarHBondContact O-N 2.99Å; R391-K395 WeakPolarHBondContact O-CG 3.26Å; R391-K395 PolarHBondContact O-N 2.97Å; R391-L413 HydrophobicContact CG-CB 4.45Å; R391-L413 HydrophobicContact CG-CD2 4.34Å; R391-L413 PolarHBondContact NE-O 3.39Å; R391-L413 PolarHBondContact NH2-O 3.5Å; R391-N414 PolarHBondContact NH2-OD1 3.2Å
392Q98.3Very high97.4Very high83 Ų8344.8 Ų44.839%0.38823%0.232SC..Hα-helixtrans-66.1-38.9174.5-69174.911.800111.6L309 E388 A389 K395 L396L309-Q392 HydrophobicContact CD1-CB 4.08Å; L309-Q392 HydrophobicContact CD2-CB 3.81Å; E388-Q392 WeakPolarHBondContact O-CG 3.49Å; E388-Q392 PolarHBondContact O-N 3.42Å; E388-Q392 PolarHBondContact OE1-NE2 3.19Å; E388-Q392 VanDerWaalsContact OE1-NE2 3.11Å; A389-Q392 PolarHBondContact O-N 2.73Å; Q392-K395 WeakPolarHBondContact O-CB 3.26Å; Q392-K395 PolarHBondContact O-N 2.95Å; Q392-L396 PolarHBondContact O-N 3.46Å
393L98.4Very high97.5Very high0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-64.9-41.9175.8-170.271.8000111F249 L252 T305 L308 L309 F382 A389 R390 R391 K395 L396 Y397F249-L393 HydrophobicContact CD1-CD2 4.43Å; F249-L393 HydrophobicContact CE1-CB 4.46Å; F249-L393 HydrophobicContact CE1-CD2 3.92Å; F249-L393 HydrophobicContact CE1-CG 3.96Å; F249-L393 HydrophobicContact CZ-CB 4.48Å; F249-L393 HydrophobicContact CZ-CD2 4.26Å; F249-L393 HydrophobicContact CZ-CG 4.41Å; L252-L393 HydrophobicContact CD1-CD1 4.17Å; L252-L393 HydrophobicContact CD1-CD2 3.93Å; L252-L393 HydrophobicContact CD1-CG 4.26Å; T305-L393 HydrophobicContact CG2-CB 4.43Å; T305-L393 HydrophobicContact CG2-CD1 4.38Å; T305-L393 HydrophobicContact CG2-CD2 4.06Å; L308-L393 HydrophobicContact CB-CD1 4.21Å; L308-L393 HydrophobicContact CD1-CD1 4.05Å; L309-L393 HydrophobicContact CD2-CB 4.28Å; L309-L393 HydrophobicContact CD2-CD1 4.31Å; F382-L393 HydrophobicContact CE1-CD2 3.61Å; F382-L393 HydrophobicContact CZ-CD2 4.02Å; A389-L393 VanDerWaalsContact O-CB 3.3Å; A389-L393 WeakPolarHBondContact O-CB 3.34Å; A389-L393 PolarHBondContact O-N 3.4Å; R390-L393 PolarHBondContact O-N 3.41Å; R391-L393 VanDerWaalsContact C-N 3.34Å; L393-K395 PolarHBondContact O-N 2.61Å; L393-L396 HydrophobicContact CD1-CD2 4.35Å; L393-L396 WeakPolarHBondContact O-CB 3.27Å; L393-L396 PolarHBondContact O-N 3.13Å; L393-L396 VanDerWaalsContact O-N 3.14Å; L393-Y397 HydrophobicContact CD1-CD2 4.1Å; L393-Y397 HydrophobicContact CD1-CE2 3.74Å; L393-Y397 HydrophobicContact CG-CD2 4.28Å; L393-Y397 HydrophobicContact CG-CE2 4.38Å; L393-Y397 WeakPolarHBondContact O-CD2 3.29Å; L393-Y397 PolarHBondContact O-N 3.48Å
394Y98.3Very high97.7Very high15 Ų1543.2 Ų43.26%0.05921%0.213CC..Hα-helixtrans-57.7-48.6172.1169.7-94.4000111.1R390 R391 L396 Y397 E398 F401 R408 P409 L413R390-Y394 PolarHBondContact O-N 3.16Å; R391-Y394 PolarHBondContact O-N 2.99Å; Y394-L396 PolarHBondContact O-N 2.98Å; Y394-Y397 CarbonylContact O-C 3.57Å; Y394-Y397 PolarHBondContact O-N 3.35Å; Y394-E398 HydrophobicContact CD1-CB 4.43Å; Y394-E398 HydrophobicContact CE1-CB 3.97Å; Y394-E398 HydrophobicContact CE1-CG 3.99Å; Y394-E398 WeakPolarHBondContact O-CA 3.38Å; Y394-E398 WeakPolarHBondContact O-CB 3.43Å; Y394-E398 PolarHBondContact O-N 3.06Å; Y394-E398 PolarHBondContact OH-OE1 3.37Å; Y394-E398 VanDerWaalsContact OH-OE1 3.08Å; Y394-F401 AromaticContact CD2-CD2 3.98Å; Y394-F401 HydrophobicContact CD2-CD2 3.98Å; Y394-F401 HydrophobicContact CD2-CE2 4Å; Y394-F401 HydrophobicContact CD2-CG 4.48Å; Y394-F401 HydrophobicContact CE2-CB 4.37Å; Y394-F401 AromaticContact CE2-CD2 3.94Å; Y394-F401 HydrophobicContact CE2-CD2 3.94Å; Y394-F401 HydrophobicContact CE2-CE2 4.38Å; Y394-F401 HydrophobicContact CE2-CG 4.04Å; Y394-R408 HydrophobicContact CE2-CB 4.34Å; Y394-R408 HydrophobicContact CE2-CG 3.83Å; Y394-P409 HydrophobicContact CD2-CG 4.38Å; Y394-L413 HydrophobicContact CD1-CD1 4.22Å; Y394-L413 HydrophobicContact CD2-CD1 4.12Å; Y394-L413 HydrophobicContact CG-CD1 3.86Å; Y394-L413 HydrophobicContact CG-CD2 4.49Å
395K97.7Very high97.8Very high140 Ų14040.6 Ų40.661%0.60920%0.204SC*.Hα-helixtrans-56-36.6176.7-70.4174.1-178.9175.40112.5R391 Q392 L393 Y397R391-K395 WeakPolarHBondContact O-CG 3.26Å; R391-K395 PolarHBondContact O-N 2.97Å; Q392-K395 WeakPolarHBondContact O-CB 3.26Å; Q392-K395 PolarHBondContact O-N 2.95Å; L393-K395 PolarHBondContact O-N 2.61Å; K395-Y397 VanDerWaalsContact C-N 3.33Å; K395-Y397 PolarHBondContact O-N 2.92Å
396L97.9Very high97.9Very high41 Ų4142 Ų4222%0.21521%0.209CC..Hα-helixtrans-66.9-29.1177.9-177.261.5000113.7L308 L309 F319 Q325 Q392 L393 Y394L308-L396 HydrophobicContact CB-CD2 4.36Å; L308-L396 WeakPolarHBondContact O-CD2 3.34Å; L309-L396 HydrophobicContact CD2-CD2 4.38Å; F319-L396 HydrophobicContact CE2-CD1 4.37Å; F319-L396 HydrophobicContact CE2-CD2 4.02Å; F319-L396 HydrophobicContact CZ-CD2 4.24Å; Q325-L396 PolarHBondContact NE2-O 3.28Å; Q325-L396 VanDerWaalsContact NE2-O 3.1Å; Q392-L396 PolarHBondContact O-N 3.46Å; L393-L396 HydrophobicContact CD1-CD2 4.35Å; L393-L396 WeakPolarHBondContact O-CB 3.27Å; L393-L396 PolarHBondContact O-N 3.13Å; L393-L396 VanDerWaalsContact O-N 3.14Å; Y394-L396 PolarHBondContact O-N 2.98Å
397Y98.3Very high97.8Very high0 Ų045.2 Ų45.20%022%0.222CC..Hα-helixtrans-113.71.4-179.9-68.3-90.5000114.2P248 L252 W323 Q325 L393 Y394 K395 P399 D400 F401P248-Y397 HydrophobicContact CB-CD1 4.4Å; P248-Y397 HydrophobicContact CB-CG 4.46Å; L252-Y397 HydrophobicContact CD1-CD2 4.1Å; L252-Y397 HydrophobicContact CD1-CE2 3.7Å; L252-Y397 HydrophobicContact CD2-CE1 4.2Å; L252-Y397 HydrophobicContact CD2-CE2 4.37Å; W323-Y397 WeakPolarHBondContact O-CE1 3.3Å; W323-Y397 PolarHBondContact O-OH 3.48Å; Q325-Y397 HydrophobicContact CB-CD1 4.49Å; Q325-Y397 HydrophobicContact CG-CD1 3.73Å; Q325-Y397 HydrophobicContact CG-CE1 3.8Å; Q325-Y397 HydrophobicContact CG-CG 4.42Å; L393-Y397 HydrophobicContact CD1-CD2 4.1Å; L393-Y397 HydrophobicContact CD1-CE2 3.74Å; L393-Y397 HydrophobicContact CG-CD2 4.28Å; L393-Y397 HydrophobicContact CG-CE2 4.38Å; L393-Y397 WeakPolarHBondContact O-CD2 3.29Å; L393-Y397 PolarHBondContact O-N 3.48Å; Y394-Y397 CarbonylContact O-C 3.57Å; Y394-Y397 PolarHBondContact O-N 3.35Å; K395-Y397 VanDerWaalsContact C-N 3.33Å; K395-Y397 PolarHBondContact O-N 2.92Å; Y397-P399 VanDerWaalsContact C-N 3.27Å; Y397-P399 VanDerWaalsContact O-N 3.16Å; Y397-D400 WeakPolarHBondContact O-CB 3.28Å; Y397-D400 PolarHBondContact O-N 3.27Å; Y397-F401 PolarHBondContact O-N 2.93Å
398E98Very high97.8Very high47 Ų4749.1 Ų49.122%0.2223%0.232CC..Hα-helixtrans-51.4-39.2-178.3171.5167.4-139.900113.2Y394 D400 F401 R402Y394-E398 HydrophobicContact CD1-CB 4.43Å; Y394-E398 HydrophobicContact CE1-CB 3.97Å; Y394-E398 HydrophobicContact CE1-CG 3.99Å; Y394-E398 WeakPolarHBondContact O-CA 3.38Å; Y394-E398 WeakPolarHBondContact O-CB 3.43Å; Y394-E398 PolarHBondContact O-N 3.06Å; Y394-E398 PolarHBondContact OH-OE1 3.37Å; Y394-E398 VanDerWaalsContact OH-OE1 3.08Å; E398-D400 VanDerWaalsContact C-N 3.28Å; E398-D400 PolarHBondContact O-N 3.42Å; E398-F401 PolarHBondContact O-N 3.43Å; E398-R402 HydrophobicContact CG-CG 4.25Å; E398-R402 WeakPolarHBondContact O-CG 3.25Å; E398-R402 PolarHBondContact O-N 2.92Å; E398-R402 IonicContact OE1-CZ 3.22Å; E398-R402 VanDerWaalsContact OE1-CZ 3.22Å; E398-R402 IonicContact OE1-NE 3.29Å; E398-R402 PolarHBondContact OE1-NE 3.31Å; E398-R402 IonicContact OE1-NH2 2.71Å; E398-R402 PolarHBondContact OE1-NH2 2.91Å
399P98.1Very high97.7Very high13 Ų1345.2 Ų45.28%0.08422%0.215CC..Hα-helixtrans-56.5-40.7173.9-28.838.3000113.3F140 Y327 Y397 R402 L403F140-P399 HydrophobicContact CB-CB 4.07Å; F140-P399 HydrophobicContact CB-CG 3.52Å; F140-P399 HydrophobicContact CD1-CB 3.64Å; F140-P399 HydrophobicContact CD1-CG 3.87Å; F140-P399 HydrophobicContact CE1-CB 4.18Å; F140-P399 HydrophobicContact CG-CB 3.86Å; F140-P399 HydrophobicContact CG-CG 3.89Å; Y327-P399 HydrophobicContact CD1-CB 3.6Å; Y327-P399 HydrophobicContact CD1-CG 4.29Å; Y327-P399 HydrophobicContact CE1-CB 3.75Å; Y327-P399 HydrophobicContact CE1-CG 3.92Å; Y327-P399 HydrophobicContact CG-CB 4.27Å; Y397-P399 VanDerWaalsContact C-N 3.27Å; Y397-P399 VanDerWaalsContact O-N 3.16Å; P399-R402 PolarHBondContact O-N 3.33Å; P399-L403 HydrophobicContact CB-CD1 4.41Å; P399-L403 WeakPolarHBondContact O-CB 3.5Å; P399-L403 VanDerWaalsContact O-CD1 3.32Å; P399-L403 WeakPolarHBondContact O-CD1 3.48Å; P399-L403 WeakPolarHBondContact O-CG 3.26Å; P399-L403 PolarHBondContact O-N 2.88Å
400D98.5Very high97.5Very high1 Ų148.2 Ų48.21%0.00523%0.227CC..Hα-helixtrans-69.3-39.8178.8-70.5-15.5000111.2P248 Q325 V326 Y327 Y397 E398 R402 F404P248-D400 HydrophobicContact CB-CB 4.47Å; P248-D400 HydrophobicContact CG-CB 3.77Å; Q325-D400 VanDerWaalsContact CA-OD2 3.25Å; Q325-D400 WeakPolarHBondContact CA-OD2 3.27Å; Q325-D400 WeakPolarHBondContact CB-OD2 3.46Å; V326-D400 WeakPolarHBondContact CB-OD1 3.27Å; V326-D400 VanDerWaalsContact N-CG 3.31Å; V326-D400 PolarHBondContact N-OD1 2.92Å; V326-D400 VanDerWaalsContact N-OD1 3.11Å; V326-D400 PolarHBondContact N-OD2 3.35Å; Y327-D400 WeakPolarHBondContact CD1-OD1 3.46Å; Y327-D400 PolarHBondContact N-OD1 3.48Å; Y397-D400 WeakPolarHBondContact O-CB 3.28Å; Y397-D400 PolarHBondContact O-N 3.27Å; E398-D400 VanDerWaalsContact C-N 3.28Å; E398-D400 PolarHBondContact O-N 3.42Å; D400-R402 VanDerWaalsContact C-N 3.35Å; D400-R402 PolarHBondContact O-N 3.11Å; D400-F404 HydrophobicContact CB-CD2 4.34Å; D400-F404 WeakPolarHBondContact O-CB 3.3Å; D400-F404 VanDerWaalsContact O-CD2 3.23Å; D400-F404 WeakPolarHBondContact O-CD2 3.32Å; D400-F404 PolarHBondContact O-N 3.41Å
401F98.3Very high97.2Very high2 Ų250 Ų501%0.00924%0.242CC..Hα-helixtrans-57.2-49.9173.9-80.3-86.6000111D247 P248 F249 Y394 Y397 E398 G405 Y406 D407 P409D247-F401 WeakPolarHBondContact OD2-CE1 3.45Å; P248-F401 HydrophobicContact CB-CD2 4.01Å; P248-F401 HydrophobicContact CB-CE2 3.54Å; P248-F401 HydrophobicContact CB-CZ 3.9Å; P248-F401 HydrophobicContact CG-CD1 4.23Å; P248-F401 HydrophobicContact CG-CD2 3.62Å; P248-F401 HydrophobicContact CG-CE1 4.21Å; P248-F401 HydrophobicContact CG-CE2 3.61Å; P248-F401 HydrophobicContact CG-CG 3.93Å; P248-F401 HydrophobicContact CG-CZ 3.9Å; F249-F401 HydrophobicContact CB-CZ 4.4Å; F249-F401 AromaticContact CD1-CE2 3.96Å; F249-F401 HydrophobicContact CD1-CE2 3.96Å; F249-F401 AromaticContact CD1-CZ 3.86Å; F249-F401 HydrophobicContact CD1-CZ 3.86Å; F249-F401 HydrophobicContact CD2-CZ 4.43Å; F249-F401 HydrophobicContact CE1-CE2 4.04Å; F249-F401 HydrophobicContact CE1-CZ 4.24Å; F249-F401 AromaticContact CG-CZ 3.98Å; F249-F401 HydrophobicContact CG-CZ 3.98Å; Y394-F401 AromaticContact CD2-CD2 3.98Å; Y394-F401 HydrophobicContact CD2-CD2 3.98Å; Y394-F401 HydrophobicContact CD2-CE2 4Å; Y394-F401 HydrophobicContact CD2-CG 4.48Å; Y394-F401 HydrophobicContact CE2-CB 4.37Å; Y394-F401 AromaticContact CE2-CD2 3.94Å; Y394-F401 HydrophobicContact CE2-CD2 3.94Å; Y394-F401 HydrophobicContact CE2-CE2 4.38Å; Y394-F401 HydrophobicContact CE2-CG 4.04Å; Y397-F401 PolarHBondContact O-N 2.93Å; E398-F401 PolarHBondContact O-N 3.43Å; F401-G405 PolarHBondContact O-N 2.69Å; F401-G405 VanDerWaalsContact O-N 3.08Å; F401-Y406 PolarHBondContact O-N 3.41Å; F401-D407 WeakPolarHBondContact CD1-O 3.42Å; F401-P409 HydrophobicContact CE1-CG 4.17Å; F401-P409 HydrophobicContact CZ-CG 4.11Å
402R97.9Very high97Very high103 Ų10345.8 Ų45.839%0.38923%0.227SC..Hα-helixtrans-69.6-48.8-176.9-67.3-173.6-180-153.83.8113V132 E398 P399 D400 F404 G405V132-R402 HydrophobicContact CG1-CB 4.3Å; E398-R402 HydrophobicContact CG-CG 4.25Å; E398-R402 WeakPolarHBondContact O-CG 3.25Å; E398-R402 PolarHBondContact O-N 2.92Å; E398-R402 IonicContact OE1-CZ 3.22Å; E398-R402 VanDerWaalsContact OE1-CZ 3.22Å; E398-R402 IonicContact OE1-NE 3.29Å; E398-R402 PolarHBondContact OE1-NE 3.31Å; E398-R402 IonicContact OE1-NH2 2.71Å; E398-R402 PolarHBondContact OE1-NH2 2.91Å; P399-R402 PolarHBondContact O-N 3.33Å; D400-R402 VanDerWaalsContact C-N 3.35Å; D400-R402 PolarHBondContact O-N 3.11Å; R402-F404 PolarHBondContact O-N 3.38Å; R402-G405 PolarHBondContact O-N 2.9Å
403L98.3Very high96.8Very high1 Ų141.9 Ų41.91%0.00521%0.208CC..Hα-helixtrans-60.4-33.7-176.7-77.4164.1000112.2L129 V132 F140 Y327 P332 P399L129-L403 HydrophobicContact CD1-CB 3.88Å; L129-L403 HydrophobicContact CD1-CD2 3.82Å; L129-L403 HydrophobicContact CD1-CG 4.44Å; L129-L403 VanDerWaalsContact CD1-O 3.28Å; L129-L403 WeakPolarHBondContact CD1-O 3.32Å; V132-L403 HydrophobicContact CB-CD2 4.03Å; V132-L403 HydrophobicContact CG1-CD2 3.6Å; V132-L403 HydrophobicContact CG1-CG 3.94Å; F140-L403 HydrophobicContact CE1-CD1 4.14Å; F140-L403 HydrophobicContact CE1-CG 4.46Å; F140-L403 HydrophobicContact CZ-CD1 3.85Å; F140-L403 HydrophobicContact CZ-CD2 4.29Å; F140-L403 HydrophobicContact CZ-CG 4.44Å; Y327-L403 HydrophobicContact CG-CD1 4.45Å; P332-L403 HydrophobicContact CG-CD1 3.93Å; P332-L403 HydrophobicContact CG-CD2 4.41Å; P399-L403 HydrophobicContact CB-CD1 4.41Å; P399-L403 WeakPolarHBondContact O-CB 3.5Å; P399-L403 VanDerWaalsContact O-CD1 3.32Å; P399-L403 WeakPolarHBondContact O-CD1 3.48Å; P399-L403 WeakPolarHBondContact O-CG 3.26Å; P399-L403 PolarHBondContact O-N 2.88Å
404F98.4Very high96.3Very high10 Ų1046 Ų464%0.04423%0.231CC..THydrogen-bonded Turntrans-110.29.2-173.3-57.7-62000113.8L129 L243 V245 V326 P332 V340 H342 D400 R402 Y406L129-F404 HydrophobicContact CD1-CD1 4.21Å; L129-F404 HydrophobicContact CD1-CE1 3.81Å; L129-F404 HydrophobicContact CD1-CZ 4.4Å; L243-F404 HydrophobicContact CD1-CE1 3.86Å; L243-F404 HydrophobicContact CD1-CZ 3.94Å; V245-F404 HydrophobicContact CB-CB 4.49Å; V245-F404 HydrophobicContact CB-CD1 4.42Å; V245-F404 HydrophobicContact CB-CG 4.21Å; V245-F404 HydrophobicContact CG1-CD1 3.71Å; V245-F404 HydrophobicContact CG1-CD2 3.94Å; V245-F404 HydrophobicContact CG1-CE1 3.79Å; V245-F404 HydrophobicContact CG1-CE2 4.06Å; V245-F404 HydrophobicContact CG1-CG 3.79Å; V245-F404 HydrophobicContact CG1-CZ 3.97Å; V245-F404 HydrophobicContact CG2-CB 4.07Å; V245-F404 HydrophobicContact CG2-CD1 4.17Å; V245-F404 HydrophobicContact CG2-CG 4.12Å; V326-F404 HydrophobicContact CB-CE2 3.74Å; V326-F404 HydrophobicContact CB-CZ 4.34Å; V326-F404 HydrophobicContact CG1-CD2 4.5Å; V326-F404 HydrophobicContact CG1-CE2 3.51Å; V326-F404 HydrophobicContact CG1-CZ 3.61Å; P332-F404 HydrophobicContact CG-CZ 4.31Å; V340-F404 HydrophobicContact CG1-CD1 4.04Å; V340-F404 HydrophobicContact CG1-CE1 4.46Å; H342-F404 PolarHBondContact CE1-O 3.24Å; H342-F404 PolarHBondContact NE2-O 3.26Å; D400-F404 HydrophobicContact CB-CD2 4.34Å; D400-F404 WeakPolarHBondContact O-CB 3.3Å; D400-F404 VanDerWaalsContact O-CD2 3.23Å; D400-F404 WeakPolarHBondContact O-CD2 3.32Å; D400-F404 PolarHBondContact O-N 3.41Å; R402-F404 PolarHBondContact O-N 3.38Å; F404-Y406 HydrophobicContact CB-CD2 3.83Å; F404-Y406 HydrophobicContact CB-CE2 3.58Å; F404-Y406 PolarHBondContact O-N 2.69Å
405G97.4Very high94.9Very high43 Ų4353 Ų5344%0.44326%0.264SS..THydrogen-bonded Turntrans66.636.3171.400000114.3F401 R402F401-G405 PolarHBondContact O-N 2.69Å; F401-G405 VanDerWaalsContact O-N 3.08Å; R402-G405 PolarHBondContact O-N 2.9Å
406Y97.7Very high94.7Very high30 Ų3048.6 Ų48.612%0.11825%0.246CC..PPolyproline II helixtrans-86.2140167.5-66.1-79.7000109.8V245 R246 D247 H342 E344 F401 F404V245-Y406 HydrophobicContact CB-CE2 4.42Å; V245-Y406 HydrophobicContact CG2-CE2 4.14Å; V245-Y406 WeakPolarHBondContact CG2-OH 3.26Å; R246-Y406 WeakPolarHBondContact CA-OH 3.24Å; R246-Y406 PolarHBondContact N-OH 2.91Å; R246-Y406 VanDerWaalsContact N-OH 3.14Å; D247-Y406 VanDerWaalsContact CA-CE1 3.47Å; D247-Y406 HydrophobicContact CB-CD1 3.83Å; D247-Y406 HydrophobicContact CB-CE1 3.91Å; D247-Y406 PolarHBondContact N-OH 3.09Å; H342-Y406 AromaticContact CE1-CZ 3.6Å; H342-Y406 PolarHBondContact CE1-OH 2.84Å; H342-Y406 AromaticContact ND1-CE1 3.8Å; H342-Y406 AromaticContact ND1-CZ 3.52Å; H342-Y406 PolarHBondContact ND1-OH 2.9Å; H342-Y406 VanDerWaalsContact ND1-OH 3.09Å; E344-Y406 PolarHBondContact OE2-OH 3.06Å; F401-Y406 PolarHBondContact O-N 3.41Å; F404-Y406 HydrophobicContact CB-CD2 3.83Å; F404-Y406 HydrophobicContact CB-CE2 3.58Å; F404-Y406 PolarHBondContact O-N 2.69Å
407D96Very high94.6Very high146 Ų14649 Ų4978%0.78125%0.248SC*.PPolyproline II helixtrans-65147.4176.4-66.3-41000110.8F401 P409F401-D407 WeakPolarHBondContact CD1-O 3.42Å; D407-P409 WeakPolarHBondContact O-CD 3.31Å
408R96.1Very high94.4Very high125 Ų12551.7 Ų51.747%0.47226%0.262SS..PPolyproline II helixtrans-66.5125.9171.4179.5170.2179.1-1363.3108.5Y394 E410 L413Y394-R408 HydrophobicContact CE2-CB 4.34Å; Y394-R408 HydrophobicContact CE2-CG 3.83Å; R408-E410 VanDerWaalsContact C-N 3.26Å; R408-E410 VanDerWaalsContact CD-OE1 3.26Å; R408-E410 WeakPolarHBondContact CD-OE1 3.35Å; R408-E410 IonicContact CZ-OE1 3.33Å; R408-E410 IonicContact CZ-OE2 3.95Å; R408-E410 IonicContact NE-OE1 3.51Å; R408-E410 IonicContact NH1-OE1 2.74Å; R408-E410 PolarHBondContact NH1-OE1 3Å; R408-E410 IonicContact NH1-OE2 3.72Å; R408-E410 PolarHBondContact O-N 3.32Å; R408-L413 HydrophobicContact CG-CD1 3.95Å
409P94.6Very high94.1Very high16 Ų1652 Ų5210%0.10426%0.264CS..  trans-79.170.2-172.131.5-35.9000111.6F249 Y394 F401 D407 S411 I412 L413F249-P409 HydrophobicContact CD2-CG 3.97Å; F249-P409 HydrophobicContact CE2-CG 3.77Å; Y394-P409 HydrophobicContact CD2-CG 4.38Å; F401-P409 HydrophobicContact CE1-CG 4.17Å; F401-P409 HydrophobicContact CZ-CG 4.11Å; D407-P409 WeakPolarHBondContact O-CD 3.31Å; P409-S411 VanDerWaalsContact C-N 3.31Å; P409-S411 PolarHBondContact O-N 3.49Å; P409-I412 HydrophobicContact CB-CB 4.2Å; P409-I412 HydrophobicContact CB-CG1 4.16Å; P409-I412 PolarHBondContact O-N 3.21Å; P409-I412 VanDerWaalsContact O-N 3.1Å; P409-L413 HydrophobicContact CG-CD1 4.39Å; P409-L413 HydrophobicContact CG-CG 4.3Å; P409-L413 WeakPolarHBondContact O-CG 3.24Å; P409-L413 PolarHBondContact O-N 2.9Å; P409-L413 VanDerWaalsContact O-N 3.15Å
410E94.1Very high93.9Very high81 Ų8154.4 Ų54.438%0.37928%0.275SS..Hα-helixtrans-56.8-38.2-171.4-68.9-65.7168.700113.7R408 I412 L413 N414R408-E410 VanDerWaalsContact C-N 3.26Å; R408-E410 VanDerWaalsContact CD-OE1 3.26Å; R408-E410 WeakPolarHBondContact CD-OE1 3.35Å; R408-E410 IonicContact CZ-OE1 3.33Å; R408-E410 IonicContact CZ-OE2 3.95Å; R408-E410 IonicContact NE-OE1 3.51Å; R408-E410 IonicContact NH1-OE1 2.74Å; R408-E410 PolarHBondContact NH1-OE1 3Å; R408-E410 IonicContact NH1-OE2 3.72Å; R408-E410 PolarHBondContact O-N 3.32Å; E410-I412 PolarHBondContact O-N 3.06Å; E410-L413 PolarHBondContact O-N 3.45Å; E410-N414 WeakPolarHBondContact O-CB 3.35Å; E410-N414 PolarHBondContact O-N 3.02Å; E410-N414 VanDerWaalsContact O-N 3.11Å; E410-N414 PolarHBondContact O-ND2 3.31Å; E410-N414 PolarHBondContact OE2-ND2 3.24Å
411S91.6Very high93.6Very high58 Ų5858 Ų5841%0.40629%0.293SS..Hα-helixtrans-60.4-45.8176.653.10000111.5P409 L413 E415P409-S411 VanDerWaalsContact C-N 3.31Å; P409-S411 PolarHBondContact O-N 3.49Å; S411-L413 VanDerWaalsContact C-N 3.28Å; S411-L413 PolarHBondContact O-N 3.44Å; S411-E415 WeakPolarHBondContact O-CB 3.4Å; S411-E415 WeakPolarHBondContact O-CG 3.41Å; S411-E415 PolarHBondContact O-N 3.14Å; S411-E415 VanDerWaalsContact O-N 3.13Å
412I92.8Very high93.3Very high7 Ų762 Ų624%0.03631%0.314CS..Hα-helixtrans-66.1-31.4179.2-54.6-57.1000111.9F249 E378 F382 R390 P409 E410F249-I412 HydrophobicContact CD2-CG2 4.25Å; F249-I412 HydrophobicContact CE2-CG2 3.98Å; E378-I412 HydrophobicContact CB-CD1 3.97Å; E378-I412 HydrophobicContact CB-CG1 4.35Å; F382-I412 HydrophobicContact CB-CD1 4.47Å; F382-I412 HydrophobicContact CB-CG2 3.68Å; F382-I412 HydrophobicContact CD1-CG2 4.13Å; F382-I412 HydrophobicContact CD2-CG2 3.98Å; F382-I412 HydrophobicContact CG-CG2 3.65Å; R390-I412 WeakPolarHBondContact CD-O 3.21Å; R390-I412 PolarHBondContact NH1-O 3.05Å; P409-I412 HydrophobicContact CB-CB 4.2Å; P409-I412 HydrophobicContact CB-CG1 4.16Å; P409-I412 PolarHBondContact O-N 3.21Å; P409-I412 VanDerWaalsContact O-N 3.1Å; E410-I412 PolarHBondContact O-N 3.06Å
413L93.9Very high92.9Very high0 Ų058.8 Ų58.80%031%0.308CS..Hα-helixtrans-88.5-14.9-174.3-62.3-175.9000114.8F249 V387 R390 R391 Y394 R408 P409 E410 S411F249-L413 HydrophobicContact CE2-CD2 4.47Å; V387-L413 WeakPolarHBondContact CG1-O 3.42Å; R390-L413 HydrophobicContact CB-CD2 4.2Å; R390-L413 WeakPolarHBondContact O-CD2 3.47Å; R391-L413 HydrophobicContact CG-CB 4.45Å; R391-L413 HydrophobicContact CG-CD2 4.34Å; R391-L413 PolarHBondContact NE-O 3.39Å; R391-L413 PolarHBondContact NH2-O 3.5Å; Y394-L413 HydrophobicContact CD1-CD1 4.22Å; Y394-L413 HydrophobicContact CD2-CD1 4.12Å; Y394-L413 HydrophobicContact CG-CD1 3.86Å; Y394-L413 HydrophobicContact CG-CD2 4.49Å; R408-L413 HydrophobicContact CG-CD1 3.95Å; P409-L413 HydrophobicContact CG-CD1 4.39Å; P409-L413 HydrophobicContact CG-CG 4.3Å; P409-L413 WeakPolarHBondContact O-CG 3.24Å; P409-L413 PolarHBondContact O-N 2.9Å; P409-L413 VanDerWaalsContact O-N 3.15Å; E410-L413 PolarHBondContact O-N 3.45Å; S411-L413 VanDerWaalsContact C-N 3.28Å; S411-L413 PolarHBondContact O-N 3.44Å
414N88.1Confident92.4Very high88 Ų8863.7 Ų63.747%0.47133%0.333SS..Hα-helixtrans-122.6-24-171.5-61.9-43000114.5R391 E410R391-N414 PolarHBondContact NH2-OD1 3.2Å; E410-N414 WeakPolarHBondContact O-CB 3.35Å; E410-N414 PolarHBondContact O-N 3.02Å; E410-N414 VanDerWaalsContact O-N 3.11Å; E410-N414 PolarHBondContact O-ND2 3.31Å; E410-N414 PolarHBondContact OE2-ND2 3.24Å
415E68.8Low91.9Very high160 Ų16068.5 Ų68.575%0.74836%0.36SS*.  trans-92.10173.9-59173.5-175.300110.8R390 S411R390-E415 PolarHBondContact NH1-OXT 3.41Å; S411-E415 WeakPolarHBondContact O-CB 3.4Å; S411-E415 WeakPolarHBondContact O-CG 3.41Å; S411-E415 PolarHBondContact O-N 3.14Å; S411-E415 VanDerWaalsContact O-N 3.13Å

Retrieved 415 of 415 residues in 152.4 ms (Link to these results)

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