X5D2L1_HUMAN Loading...

11-beta-hydroxysteroid dehydrogenase 1

AlphaFold DB (P28845), UniProt , Accession X5D2L1, Species HUMAN (Homo sapiens, Human), Gene HSD11B1, Length 292 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
1M59.7Low70.5Confident216 Ų216129 Ų129100%1.06464%0.644SS**  0-29.70-77.5179.7-170.400114.8
2A63.3Low71.8Confident83 Ų83126.9 Ų126.969%0.68664%0.636SS**Hα-helixtrans-67.1-34.1179.200000114.4K5 K6A2-K5 PolarHBondContact O-N 3.08Å; A2-K6 WeakPolarHBondContact O-CB 3.3Å; A2-K6 PolarHBondContact O-N 3.41Å; A2-K6 VanDerWaalsContact O-N 3.11Å
3F61.6Low72.7Confident151 Ų151120.5 Ų120.566%0.66262%0.621SS**Hα-helixtrans-65-43.4-179.2-162.3-92.3000112.7K5 K6 Y7F3-K5 PolarHBondContact O-N 3.31Å; F3-K6 PolarHBondContact O-N 3.44Å; F3-Y7 AromaticContact CD1-CD2 3.95Å; F3-Y7 HydrophobicContact CD1-CD2 3.95Å; F3-Y7 AromaticContact CD2-CD2 3.61Å; F3-Y7 HydrophobicContact CD2-CD2 3.61Å; F3-Y7 AromaticContact CD2-CE2 3.42Å; F3-Y7 HydrophobicContact CD2-CE2 3.42Å; F3-Y7 VanDerWaalsContact CD2-CE2 3.42Å; F3-Y7 AromaticContact CE1-CD2 3.91Å; F3-Y7 HydrophobicContact CE1-CD2 3.91Å; F3-Y7 AromaticContact CE2-CD2 3.56Å; F3-Y7 HydrophobicContact CE2-CD2 3.56Å; F3-Y7 AromaticContact CE2-CE2 3.32Å; F3-Y7 HydrophobicContact CE2-CE2 3.32Å; F3-Y7 AromaticContact CG-CD2 3.8Å; F3-Y7 HydrophobicContact CG-CD2 3.8Å; F3-Y7 HydrophobicContact CG-CE2 4.08Å; F3-Y7 AromaticContact CZ-CD2 3.71Å; F3-Y7 HydrophobicContact CZ-CD2 3.71Å; F3-Y7 AromaticContact CZ-CE2 3.92Å; F3-Y7 HydrophobicContact CZ-CE2 3.92Å; F3-Y7 HydrophobicContact CZ-CG 4.44Å; F3-Y7 WeakPolarHBondContact O-CD2 3.4Å; F3-Y7 PolarHBondContact O-N 2.97Å; F3-Y7 VanDerWaalsContact O-N 3.13Å
4M60.8Low73.6Confident130 Ų130120.9 Ų120.964%0.6462%0.624SS**Iπ-helixtrans-61.5-44.8177.2-82.2179.568.300112.3K6 L8M4-K6 PolarHBondContact O-N 3.37Å; M4-L8 HydrophobicContact CE-CD2 4.47Å; M4-L8 WeakPolarHBondContact O-CA 3.42Å; M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.19Å
5K60.3Low74.3Confident175 Ų175121.5 Ų121.576%0.76162%0.62SS**Iπ-helixtrans-69.4-34.4178.3-83.2-173.9175-1770113.1A2 F3A2-K5 PolarHBondContact O-N 3.08Å; F3-K5 PolarHBondContact O-N 3.31Å
6K72Confident74.6Confident153 Ų153121.3 Ų121.367%0.66562%0.618SS**Iπ-helixtrans-77.9-30.2-173.8-154.6175.4-173.7-177.80113.5A2 F3 M4 P10A2-K6 WeakPolarHBondContact O-CB 3.3Å; A2-K6 PolarHBondContact O-N 3.41Å; A2-K6 VanDerWaalsContact O-N 3.11Å; F3-K6 PolarHBondContact O-N 3.44Å; M4-K6 PolarHBondContact O-N 3.37Å; K6-P10 WeakPolarHBondContact O-CG 3.34Å
7Y79.3Confident74.7Confident110 Ų110116.6 Ų116.643%0.43160%0.602SS.*Iπ-helixtrans-114.2-31.2-176.7-58.7-75000114F3 P10 I11F3-Y7 AromaticContact CD1-CD2 3.95Å; F3-Y7 HydrophobicContact CD1-CD2 3.95Å; F3-Y7 AromaticContact CD2-CD2 3.61Å; F3-Y7 HydrophobicContact CD2-CD2 3.61Å; F3-Y7 AromaticContact CD2-CE2 3.42Å; F3-Y7 HydrophobicContact CD2-CE2 3.42Å; F3-Y7 VanDerWaalsContact CD2-CE2 3.42Å; F3-Y7 AromaticContact CE1-CD2 3.91Å; F3-Y7 HydrophobicContact CE1-CD2 3.91Å; F3-Y7 AromaticContact CE2-CD2 3.56Å; F3-Y7 HydrophobicContact CE2-CD2 3.56Å; F3-Y7 AromaticContact CE2-CE2 3.32Å; F3-Y7 HydrophobicContact CE2-CE2 3.32Å; F3-Y7 AromaticContact CG-CD2 3.8Å; F3-Y7 HydrophobicContact CG-CD2 3.8Å; F3-Y7 HydrophobicContact CG-CE2 4.08Å; F3-Y7 AromaticContact CZ-CD2 3.71Å; F3-Y7 HydrophobicContact CZ-CD2 3.71Å; F3-Y7 AromaticContact CZ-CE2 3.92Å; F3-Y7 HydrophobicContact CZ-CE2 3.92Å; F3-Y7 HydrophobicContact CZ-CG 4.44Å; F3-Y7 WeakPolarHBondContact O-CD2 3.4Å; F3-Y7 PolarHBondContact O-N 2.97Å; F3-Y7 VanDerWaalsContact O-N 3.13Å; Y7-P10 WeakPolarHBondContact O-CD 3.45Å; Y7-P10 WeakPolarHBondContact O-CG 3.45Å; Y7-I11 WeakPolarHBondContact O-CB 3.43Å; Y7-I11 VanDerWaalsContact O-CD1 3.31Å; Y7-I11 WeakPolarHBondContact O-CD1 3.44Å; Y7-I11 WeakPolarHBondContact O-CG1 3.33Å; Y7-I11 PolarHBondContact O-N 3.27Å
8L76.8Confident74.8Confident101 Ų101119.2 Ų119.253%0.52960%0.604SS.*Iπ-helixtrans-69.5-40.2-175.9-160.383.6000112.5M4 I11 L12M4-L8 HydrophobicContact CE-CD2 4.47Å; M4-L8 WeakPolarHBondContact O-CA 3.42Å; M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.19Å; L8-I11 PolarHBondContact O-N 3.48Å; L8-L12 VanDerWaalsContact O-CB 3.23Å; L8-L12 WeakPolarHBondContact O-CB 3.33Å; L8-L12 PolarHBondContact O-N 3.45Å
9L76.5Confident74.6Confident127 Ų127120.5 Ų120.567%0.66560%0.602SS**Hα-helixtrans-63-49.9177.4-111.499.7000113.2L12 G13L9-L12 PolarHBondContact O-N 3.25Å; L9-G13 PolarHBondContact O-N 3.16Å
10P81.4Confident74Confident68 Ų68121.8 Ų121.844%0.44260%0.6SS.*Hα-helixtrans-68.3-33.5177.122.3-30.7000112.6K6 Y7 G13 L14K6-P10 WeakPolarHBondContact O-CG 3.34Å; Y7-P10 WeakPolarHBondContact O-CD 3.45Å; Y7-P10 WeakPolarHBondContact O-CG 3.45Å; P10-G13 PolarHBondContact O-N 3.47Å; P10-L14 WeakPolarHBondContact O-CB 3.18Å; P10-L14 WeakPolarHBondContact O-CG 3.41Å; P10-L14 PolarHBondContact O-N 3.46Å
11I83.9Confident73.4Confident105 Ų105125 Ų12554%0.53861%0.607SS.*Hα-helixtrans-65.6-43.6173.4-68.7167.3000110.7Y7 L8 G13 L14 F15Y7-I11 WeakPolarHBondContact O-CB 3.43Å; Y7-I11 VanDerWaalsContact O-CD1 3.31Å; Y7-I11 WeakPolarHBondContact O-CD1 3.44Å; Y7-I11 WeakPolarHBondContact O-CG1 3.33Å; Y7-I11 PolarHBondContact O-N 3.27Å; L8-I11 PolarHBondContact O-N 3.48Å; I11-G13 VanDerWaalsContact C-N 3.34Å; I11-L14 PolarHBondContact O-N 3.28Å; I11-F15 VanDerWaalsContact O-CB 3.31Å; I11-F15 WeakPolarHBondContact O-CB 3.41Å; I11-F15 PolarHBondContact O-N 3.13Å
12L85.4Confident73.4Confident104 Ų104118 Ų11855%0.54558%0.579SS.*Hα-helixtrans-64.4-39.6175-173.668.5000111.2L8 L9 F15 M16L8-L12 VanDerWaalsContact O-CB 3.23Å; L8-L12 WeakPolarHBondContact O-CB 3.33Å; L8-L12 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 3.25Å; L12-F15 PolarHBondContact O-N 3.21Å; L12-M16 HydrophobicContact CG-CG 4.44Å; L12-M16 VanDerWaalsContact O-CB 3.26Å; L12-M16 WeakPolarHBondContact O-CB 3.3Å; L12-M16 WeakPolarHBondContact O-CG 3.33Å; L12-M16 PolarHBondContact O-N 3.49Å
13G84.5Confident73.1Confident43 Ų43116.7 Ų116.744%0.44357%0.568SS.*Hα-helixtrans-62.3-44173.700000112.7L9 P10 I11 M16 A17L9-G13 PolarHBondContact O-N 3.16Å; P10-G13 PolarHBondContact O-N 3.47Å; I11-G13 VanDerWaalsContact C-N 3.34Å; G13-M16 PolarHBondContact O-N 2.64Å; G13-A17 VanDerWaalsContact O-CB 3.25Å; G13-A17 WeakPolarHBondContact O-CB 3.38Å; G13-A17 PolarHBondContact O-N 2.93Å
14L85Confident73Confident126 Ų126114 Ų11466%0.6656%0.561SS**Hα-helixtrans-66.7-38.8174.4-77.5168000112.1P10 I11 A17 Y18P10-L14 WeakPolarHBondContact O-CB 3.18Å; P10-L14 WeakPolarHBondContact O-CG 3.41Å; P10-L14 PolarHBondContact O-N 3.46Å; I11-L14 PolarHBondContact O-N 3.28Å; L14-A17 PolarHBondContact O-N 3.47Å; L14-Y18 WeakPolarHBondContact O-CB 3.34Å; L14-Y18 PolarHBondContact O-N 2.89Å
15F83.4Confident73.4Confident130 Ų130114.6 Ų114.657%0.5756%0.562SS**Hα-helixtrans-69.2-41176.8-166.7-92.3000111.3I11 L12 Y18 Y19I11-F15 VanDerWaalsContact O-CB 3.31Å; I11-F15 WeakPolarHBondContact O-CB 3.41Å; I11-F15 PolarHBondContact O-N 3.13Å; L12-F15 PolarHBondContact O-N 3.21Å; F15-Y18 PolarHBondContact O-N 2.97Å; F15-Y19 WeakPolarHBondContact O-CB 3.39Å; F15-Y19 PolarHBondContact O-N 3.38Å
16M79.3Confident74.5Confident119 Ų119113.7 Ų113.759%0.58656%0.561SS**Hα-helixtrans-65.5-40.7173.2-74.5-68-73.400111.5L12 G13 Y20L12-M16 HydrophobicContact CG-CG 4.44Å; L12-M16 VanDerWaalsContact O-CB 3.26Å; L12-M16 WeakPolarHBondContact O-CB 3.3Å; L12-M16 WeakPolarHBondContact O-CG 3.33Å; L12-M16 PolarHBondContact O-N 3.49Å; G13-M16 PolarHBondContact O-N 2.64Å; M16-Y20 WeakPolarHBondContact O-CB 3.01Å; M16-Y20 PolarHBondContact O-N 3.22Å
17A76Confident75.6Confident42 Ų42108 Ų10835%0.34754%0.536SS..Hα-helixtrans-65.4-47.5173.900000111G13 L14 Y19 Y20 Y21G13-A17 VanDerWaalsContact O-CB 3.25Å; G13-A17 WeakPolarHBondContact O-CB 3.38Å; G13-A17 PolarHBondContact O-N 2.93Å; L14-A17 PolarHBondContact O-N 3.47Å; A17-Y19 PolarHBondContact O-N 3.37Å; A17-Y20 PolarHBondContact O-N 2.67Å; A17-Y21 WeakPolarHBondContact O-CB 3.36Å; A17-Y21 VanDerWaalsContact O-CD2 3.28Å; A17-Y21 WeakPolarHBondContact O-CD2 3.48Å; A17-Y21 PolarHBondContact O-N 3.08Å
18Y77.7Confident76.3Confident163 Ų163109.3 Ų109.364%0.63954%0.54SS*.Hα-helixtrans-59.9-46.6176177.5-99.4000111.1L14 F15 Y21 S22L14-Y18 WeakPolarHBondContact O-CB 3.34Å; L14-Y18 PolarHBondContact O-N 2.89Å; F15-Y18 PolarHBondContact O-N 2.97Å; Y18-Y21 PolarHBondContact O-N 3.45Å; Y18-S22 WeakPolarHBondContact O-CA 3.39Å; Y18-S22 WeakPolarHBondContact O-CB 3.18Å; Y18-S22 PolarHBondContact O-N 3.01Å; Y18-S22 PolarHBondContact O-OG 3.47Å
19Y71.4Confident77.3Confident144 Ų144107.6 Ų107.657%0.56554%0.535SS*.Hα-helixtrans-61.1-44.4175.3-173.3-93.9000111.3F15 A17 Y21 S22 A23F15-Y19 WeakPolarHBondContact O-CB 3.39Å; F15-Y19 PolarHBondContact O-N 3.38Å; A17-Y19 PolarHBondContact O-N 3.37Å; Y19-Y21 PolarHBondContact O-N 2.94Å; Y19-S22 WeakPolarHBondContact CA-OG 3.17Å; Y19-S22 PolarHBondContact O-N 3.34Å; Y19-S22 PolarHBondContact O-OG 3.09Å; Y19-A23 HydrophobicContact CD1-CB 4.4Å; Y19-A23 HydrophobicContact CE1-CB 4.2Å; Y19-A23 WeakPolarHBondContact O-CB 3.44Å; Y19-A23 PolarHBondContact O-N 3.43Å
20Y62.6Low78.2Confident145 Ų145107.2 Ų107.257%0.56953%0.53SS*.Hα-helixtrans-62.7-40.6176.4-174.4-94.7000112.8M16 A17 N24M16-Y20 WeakPolarHBondContact O-CB 3.01Å; M16-Y20 PolarHBondContact O-N 3.22Å; A17-Y20 PolarHBondContact O-N 2.67Å; Y20-N24 PolarHBondContact O-ND2 3.49Å
21Y61.5Low79Confident191 Ų191106.2 Ų106.275%0.74952%0.52SS*.Hα-helixtrans-78.5-30.8178.5-87.2-79.6000113.3A17 Y18 Y19A17-Y21 WeakPolarHBondContact O-CB 3.36Å; A17-Y21 VanDerWaalsContact O-CD2 3.28Å; A17-Y21 WeakPolarHBondContact O-CD2 3.48Å; A17-Y21 PolarHBondContact O-N 3.08Å; Y18-Y21 PolarHBondContact O-N 3.45Å; Y19-Y21 PolarHBondContact O-N 2.94Å
22S58.4Low79.7Confident67 Ų67101.3 Ų101.347%0.46950%0.495SS..Hα-helixtrans-88.6-26.9-178.960.60000113.8Y18 Y19Y18-S22 WeakPolarHBondContact O-CA 3.39Å; Y18-S22 WeakPolarHBondContact O-CB 3.18Å; Y18-S22 PolarHBondContact O-N 3.01Å; Y18-S22 PolarHBondContact O-OG 3.47Å; Y19-S22 WeakPolarHBondContact CA-OG 3.17Å; Y19-S22 PolarHBondContact O-N 3.34Å; Y19-S22 PolarHBondContact O-OG 3.09Å
23A56.4Low80.3Confident56 Ų56102.8 Ų102.846%0.46350%0.499SS..Hα-helixtrans-86.3-14.7-179.600000113.4Y19 E25Y19-A23 HydrophobicContact CD1-CB 4.4Å; Y19-A23 HydrophobicContact CE1-CB 4.2Å; Y19-A23 WeakPolarHBondContact O-CB 3.44Å; Y19-A23 PolarHBondContact O-N 3.43Å; A23-E25 PolarHBondContact O-N 2.92Å
24N59.8Low81Confident95 Ų95102.3 Ų102.351%0.50850%0.495SS..SBendtrans-79.3105.9175.1-77.6-23.7000108.9Y20 E26Y20-N24 PolarHBondContact O-ND2 3.49Å; N24-E26 PolarHBondContact O-N 2.76Å
25E69Low81.6Confident142 Ų142100 Ų10066%0.66448%0.479SS*.PPolyproline II helixtrans-54.1117.9167.2-74.4-166.8171.300109A23 L251A23-E25 PolarHBondContact O-N 2.92Å; E25-L251 HydrophobicContact CB-CD2 3.91Å; E25-L251 VanDerWaalsContact O-CD2 3.24Å; E25-L251 WeakPolarHBondContact O-CD2 3.43Å
26E84.3Confident82.4Confident157 Ų15796.6 Ų96.673%0.73446%0.464SS*.PPolyproline II helixtrans-75.8130.9175.2-167.1172.3-164.400109N24 R28 M31N24-E26 PolarHBondContact O-N 2.76Å; E26-R28 PolarHBondContact O-N 2.86Å; E26-R28 PolarHBondContact O-NH1 2.86Å; E26-M31 WeakPolarHBondContact O-CE 3.33Å
27F94.8Very high83.3Confident34 Ų3490.9 Ų90.915%0.14944%0.436CS..PPolyproline II helixtrans-60.1132.5175.8173-97000110.4P29 M31 L32 M57 L243 I246 K247 A250 L251F27-P29 HydrophobicContact CE1-CG 4.34Å; F27-M31 HydrophobicContact CD2-SD 4.19Å; F27-L32 HydrophobicContact CE2-CD2 3.67Å; F27-L32 HydrophobicContact CZ-CD2 4.14Å; F27-M57 HydrophobicContact CE1-CE 4.1Å; F27-M57 HydrophobicContact CZ-CE 3.68Å; F27-M57 HydrophobicContact CZ-SD 3.99Å; F27-L243 HydrophobicContact CE1-CD1 4.44Å; F27-I246 HydrophobicContact CE2-CG2 4.42Å; F27-K247 HydrophobicContact CB-CB 4.42Å; F27-K247 HydrophobicContact CB-CD 4.25Å; F27-K247 HydrophobicContact CB-CG 4.04Å; F27-K247 HydrophobicContact CD1-CD 4.13Å; F27-K247 HydrophobicContact CD1-CG 3.71Å; F27-K247 HydrophobicContact CD2-CB 4.02Å; F27-K247 HydrophobicContact CD2-CG 3.71Å; F27-K247 HydrophobicContact CE1-CG 4.01Å; F27-K247 HydrophobicContact CE2-CB 4.46Å; F27-K247 HydrophobicContact CE2-CG 3.99Å; F27-K247 HydrophobicContact CG-CB 4.17Å; F27-K247 HydrophobicContact CG-CD 4.13Å; F27-K247 HydrophobicContact CG-CG 3.54Å; F27-K247 HydrophobicContact CZ-CG 4.14Å; F27-A250 HydrophobicContact CD2-CB 4.18Å; F27-A250 HydrophobicContact CE2-CB 4.03Å; F27-L251 HydrophobicContact CB-CD1 4.14Å; F27-L251 HydrophobicContact CB-CG 4.39Å
28R95.3Very high84.4Confident137 Ų13788.9 Ų88.952%0.51742%0.419SS..  trans-127.2131.6173.2-68.5-169-58.5-75.3-0.2109.1E26 E30 M31E26-R28 PolarHBondContact O-N 2.86Å; E26-R28 PolarHBondContact O-NH1 2.86Å; R28-E30 WeakPolarHBondContact CB-OE2 3.42Å; R28-E30 PolarHBondContact O-N 3.37Å; R28-M31 HydrophobicContact CB-CG 4.42Å; R28-M31 VanDerWaalsContact O-CB 3.23Å; R28-M31 WeakPolarHBondContact O-CB 3.5Å; R28-M31 VanDerWaalsContact O-CG 3.25Å; R28-M31 WeakPolarHBondContact O-CG 3.44Å; R28-M31 PolarHBondContact O-N 3.43Å
29P96Very high85.4Confident65 Ų6581.1 Ų81.142%0.42239%0.389SS..G310 helixtrans-50.6-32.1179.7-29.236.7000114.1F27 M31 L32 M57F27-P29 HydrophobicContact CE1-CG 4.34Å; P29-M31 PolarHBondContact O-N 2.96Å; P29-M31 VanDerWaalsContact O-N 3.14Å; P29-L32 PolarHBondContact O-N 3.02Å; P29-M57 HydrophobicContact CB-CG 4.14Å
30E96.4Very high86.7Confident119 Ų11974.3 Ų74.356%0.55636%0.362SS*.G310 helixtrans-61.1-21.1178.5-60.674.2-16200112.9R28 L32 Q33R28-E30 WeakPolarHBondContact CB-OE2 3.42Å; R28-E30 PolarHBondContact O-N 3.37Å; E30-L32 PolarHBondContact O-N 3.1Å; E30-Q33 PolarHBondContact O-N 3.12Å
31M97.9Very high88.4Confident46 Ų4668.2 Ų68.223%0.22734%0.344CS..G310 helixtrans-59-25.2173-68176.3169.700112.6E26 F27 R28 P29 K35 L251E26-M31 WeakPolarHBondContact O-CE 3.33Å; F27-M31 HydrophobicContact CD2-SD 4.19Å; R28-M31 HydrophobicContact CB-CG 4.42Å; R28-M31 VanDerWaalsContact O-CB 3.23Å; R28-M31 WeakPolarHBondContact O-CB 3.5Å; R28-M31 VanDerWaalsContact O-CG 3.25Å; R28-M31 WeakPolarHBondContact O-CG 3.44Å; R28-M31 PolarHBondContact O-N 3.43Å; P29-M31 PolarHBondContact O-N 2.96Å; P29-M31 VanDerWaalsContact O-N 3.14Å; M31-K35 VanDerWaalsContact O-CG 3.28Å; M31-K35 WeakPolarHBondContact O-CG 3.32Å; M31-L251 HydrophobicContact CE-CD2 3.97Å; M31-L251 HydrophobicContact SD-CD2 4.11Å
32L98.6Very high90.2Very high3 Ų359.1 Ų59.12%0.01631%0.308CS..G310 helixtrans-104.2-5-178.9-76-57000113.3F27 P29 E30 G34 K35 L54 M57 M115 I246 A250F27-L32 HydrophobicContact CE2-CD2 3.67Å; F27-L32 HydrophobicContact CZ-CD2 4.14Å; P29-L32 PolarHBondContact O-N 3.02Å; E30-L32 PolarHBondContact O-N 3.1Å; L32-G34 PolarHBondContact O-N 3.24Å; L32-K35 HydrophobicContact CD1-CB 4.31Å; L32-K35 HydrophobicContact CD1-CG 4.39Å; L32-K35 WeakPolarHBondContact O-CB 3.23Å; L32-K35 PolarHBondContact O-N 3.18Å; L32-L54 HydrophobicContact CD1-CD2 3.96Å; L32-L54 HydrophobicContact CG-CD2 4.07Å; L32-M57 HydrophobicContact CB-CB 3.84Å; L32-M57 HydrophobicContact CB-CG 4.43Å; L32-M57 HydrophobicContact CB-SD 3.93Å; L32-M57 HydrophobicContact CD2-SD 4.28Å; L32-M57 HydrophobicContact CG-SD 3.96Å; L32-M115 HydrophobicContact CD1-CE 4.19Å; L32-I246 HydrophobicContact CD2-CG2 4.14Å; L32-I246 HydrophobicContact CG-CG2 4.1Å; L32-A250 HydrophobicContact CD2-CB 3.62Å
33Q98.6Very high92.1Very high134 Ų13457.1 Ų57.163%0.62629%0.294SS*.THydrogen-bonded Turntrans-64.8125.2179.6-168.7176.29.300110.6E30 K35 M57E30-Q33 PolarHBondContact O-N 3.12Å; Q33-K35 PolarHBondContact O-N 2.65Å; Q33-M57 WeakPolarHBondContact CA-O 3.47Å; Q33-M57 PolarHBondContact N-O 3.5Å
34G98.5Very high94.1Very high34 Ų3459 Ų5935%0.35129%0.292SS..THydrogen-bonded Turntrans68.75.2-176.100000114.9L32 G58 H60L32-G34 PolarHBondContact O-N 3.24Å; G34-G58 PolarHBondContact N-O 3.39Å; G34-H60 PolarHBondContact O-CD2 3.39Å
35K98.8Very high95.9Very high78 Ų7855.1 Ų55.134%0.33927%0.274SS..  trans-73.5144.6175.9-68.1-56.1-163174.60111.6M31 L32 Q33 V37 A59 H60 D114M31-K35 VanDerWaalsContact O-CG 3.28Å; M31-K35 WeakPolarHBondContact O-CG 3.32Å; L32-K35 HydrophobicContact CD1-CB 4.31Å; L32-K35 HydrophobicContact CD1-CG 4.39Å; L32-K35 WeakPolarHBondContact O-CB 3.23Å; L32-K35 PolarHBondContact O-N 3.18Å; Q33-K35 PolarHBondContact O-N 2.65Å; K35-V37 HydrophobicContact CB-CG2 4.25Å; K35-A59 WeakPolarHBondContact O-CB 3.45Å; K35-H60 PolarHBondContact O-N 3.4Å; K35-D114 HydrophobicContact CB-CB 4.24Å; K35-D114 HydrophobicContact CD-CB 3.84Å; K35-D114 VanDerWaalsContact CD-CG 3.47Å; K35-D114 WeakPolarHBondContact CD-OD1 3.39Å; K35-D114 IonicContact NZ-OD1 3.53Å; K35-D114 PolarHBondContact NZ-OD1 2.78Å
36K98.9Very high97.4Very high57 Ų5749.3 Ų49.325%0.24825%0.247CC..EExtended strand (participates in β ladder)trans-98.6110-177.2-58.1165.2-173.6172.20109.6H60 M110 G111 D114 M115K36-H60 HydrophobicContact CG-CB 4.36Å; K36-M110 HydrophobicContact CB-CB 4Å; K36-M110 HydrophobicContact CB-CE 4.18Å; K36-M110 HydrophobicContact CB-SD 3.86Å; K36-M110 HydrophobicContact CD-CB 4.17Å; K36-M110 VanDerWaalsContact CD-O 3.27Å; K36-M110 WeakPolarHBondContact CD-O 3.39Å; K36-M110 WeakPolarHBondContact CE-O 3.47Å; K36-M110 HydrophobicContact CG-CB 3.96Å; K36-G111 PolarHBondContact NZ-O 3.28Å; K36-D114 WeakPolarHBondContact CB-OD2 3.3Å; K36-D114 PolarHBondContact N-OD2 3.32Å; K36-D114 PolarHBondContact O-N 2.95Å; K36-M115 PolarHBondContact O-N 2.83Å; K36-M115 VanDerWaalsContact O-N 3.09Å
37V98.9Very high98Very high0 Ų041.8 Ų41.80%021%0.212CC..EExtended strand (participates in β ladder)trans-126.3128.3-167.3-1700000111.9K35 V39 L54 A59 H60 V61 V62 M115 I117K35-V37 HydrophobicContact CB-CG2 4.25Å; V37-V39 HydrophobicContact CG1-CG2 4.18Å; V37-L54 HydrophobicContact CB-CD1 4.03Å; V37-L54 HydrophobicContact CB-CD2 4.47Å; V37-L54 HydrophobicContact CG1-CD1 3.54Å; V37-L54 HydrophobicContact CG1-CD2 4.34Å; V37-L54 HydrophobicContact CG2-CD2 4.06Å; V37-A59 HydrophobicContact CG2-CB 4.43Å; V37-H60 PolarHBondContact N-O 2.8Å; V37-V61 WeakPolarHBondContact O-CA 3.29Å; V37-V62 PolarHBondContact O-N 3.29Å; V37-M115 WeakPolarHBondContact CA-O 3.36Å; V37-M115 HydrophobicContact CB-CB 4.49Å; V37-M115 HydrophobicContact CG1-CB 4.02Å; V37-M115 HydrophobicContact CG1-CG 4.29Å; V37-M115 HydrophobicContact CG2-CB 4.06Å; V37-I117 HydrophobicContact CG1-CD1 3.89Å; V37-I117 HydrophobicContact CG1-CG1 4Å
38I98.9Very high98.2Very high0 Ų043.6 Ų43.60%022%0.218CC..EExtended strand (participates in β ladder)trans-94.1134.3167.5-75.8169.9000109.2T40 V62 F102 A106 M110 L113 M115 L116 I117I38-T40 HydrophobicContact CG2-CG2 4.16Å; I38-V62 WeakPolarHBondContact CA-O 3.34Å; I38-V62 HydrophobicContact CG1-CB 4.35Å; I38-F102 HydrophobicContact CD1-CE1 4.36Å; I38-F102 HydrophobicContact CD1-CZ 4.47Å; I38-F102 HydrophobicContact CG1-CZ 4.38Å; I38-F102 HydrophobicContact CG2-CE1 3.58Å; I38-F102 HydrophobicContact CG2-CZ 3.65Å; I38-A106 HydrophobicContact CD1-CB 3.55Å; I38-A106 HydrophobicContact CG1-CB 3.86Å; I38-M110 HydrophobicContact CG1-CE 3.98Å; I38-L113 HydrophobicContact CB-CD1 4.14Å; I38-L113 HydrophobicContact CD1-CD1 3.67Å; I38-L113 HydrophobicContact CD1-CD2 3.97Å; I38-L113 HydrophobicContact CD1-CG 4.5Å; I38-L113 HydrophobicContact CG1-CD1 3.64Å; I38-M115 PolarHBondContact N-O 2.85Å; I38-L116 HydrophobicContact CB-CD1 3.88Å; I38-L116 HydrophobicContact CD1-CD1 4.31Å; I38-L116 HydrophobicContact CG2-CD1 3.59Å; I38-I117 WeakPolarHBondContact O-CB 3.3Å; I38-I117 PolarHBondContact O-N 3.38Å
39V98.9Very high98.4Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-126.3117.2170.4-165.90000110.6V37 A42 M50 L54 V62 V63 T64 I117V37-V39 HydrophobicContact CG1-CG2 4.18Å; V39-A42 HydrophobicContact CB-CB 4.06Å; V39-A42 HydrophobicContact CG1-CB 3.94Å; V39-A42 WeakPolarHBondContact O-CB 3.43Å; V39-M50 HydrophobicContact CG1-CB 4.29Å; V39-M50 HydrophobicContact CG1-CE 3.94Å; V39-L54 HydrophobicContact CG2-CD1 3.62Å; V39-V62 PolarHBondContact N-O 3.34Å; V39-V63 HydrophobicContact CB-CG1 4.46Å; V39-V63 WeakPolarHBondContact O-CA 3.37Å; V39-T64 PolarHBondContact O-N 3.35Å; V39-T64 VanDerWaalsContact O-N 3.07Å; V39-I117 HydrophobicContact CG1-CB 4.38Å; V39-I117 HydrophobicContact CG1-CG2 4.37Å; V39-I117 HydrophobicContact CG2-CB 4.44Å; V39-I117 HydrophobicContact CG2-CD1 4.24Å
40T98.9Very high98.5Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-92.3148.4177.865.90000112.1I38 A42 T64 M93 F102 I117 L118 N119 H120 L150I38-T40 HydrophobicContact CG2-CG2 4.16Å; T40-A42 VanDerWaalsContact C-N 3.27Å; T40-A42 PolarHBondContact O-N 2.97Å; T40-T64 HydrophobicContact CG2-CG2 3.71Å; T40-M93 HydrophobicContact CG2-CE 3.96Å; T40-F102 HydrophobicContact CG2-CE1 4.27Å; T40-I117 PolarHBondContact N-O 3.19Å; T40-I117 PolarHBondContact OG1-O 2.88Å; T40-L118 HydrophobicContact CG2-CD2 4.37Å; T40-L118 WeakPolarHBondContact OG1-CA 3.46Å; T40-N119 VanDerWaalsContact O-CB 3.32Å; T40-N119 WeakPolarHBondContact O-CB 3.41Å; T40-N119 PolarHBondContact O-ND2 3.39Å; T40-N119 PolarHBondContact OG1-N 2.85Å; T40-H120 WeakPolarHBondContact CB-ND1 3.28Å; T40-H120 PolarHBondContact OG1-N 2.82Å; T40-H120 PolarHBondContact OG1-ND1 2.8Å; T40-L150 HydrophobicContact CG2-CD1 4.11Å
41G98.6Very high98.7Very high18 Ų1829.2 Ų29.219%0.18615%0.151CC..THydrogen-bonded Turntrans66.533.5-176.600000112.2T64 N119G41-T64 PolarHBondContact N-O 3.46Å; G41-N119 PolarHBondContact O-ND2 2.99Å
42A98.7Very high98.7Very high0 Ų028.8 Ų28.80%015%0.147CC..THydrogen-bonded Turntrans-92.95.2-167.200000114.8V39 T40 K44 R48 V63 T64V39-A42 HydrophobicContact CB-CB 4.06Å; V39-A42 HydrophobicContact CG1-CB 3.94Å; V39-A42 WeakPolarHBondContact O-CB 3.43Å; T40-A42 VanDerWaalsContact C-N 3.27Å; T40-A42 PolarHBondContact O-N 2.97Å; A42-K44 VanDerWaalsContact C-N 3.31Å; A42-K44 PolarHBondContact O-N 3.25Å; A42-R48 WeakPolarHBondContact O-CA 3.48Å; A42-R48 WeakPolarHBondContact O-CB 3.24Å; A42-V63 HydrophobicContact CB-CB 3.73Å; A42-V63 HydrophobicContact CB-CG1 3.7Å; A42-T64 PolarHBondContact N-O 2.85Å; A42-T64 VanDerWaalsContact N-O 3.16Å
43S98.3Very high98.7Very high25 Ų2530 Ų3018%0.17515%0.153CC..THydrogen-bonded Turntrans-74.3-19.4178.956.60000114.2A65 T70S43-A65 WeakPolarHBondContact OG-CB 3.04Å; S43-T70 VanDerWaalsContact CB-OG1 3.29Å; S43-T70 WeakPolarHBondContact CB-OG1 3.35Å
44K98.2Very high98.7Very high95 Ų9523.7 Ų23.741%0.41312%0.123SC..SBendtrans-159.1171.8-179.162.6174.9178.9167.40111.9A42 T222A42-K44 VanDerWaalsContact C-N 3.31Å; A42-K44 PolarHBondContact O-N 3.25Å; K44-T222 PolarHBondContact NZ-OG1 3.37Å
45G98.3Very high98.8Very high13 Ų1322 Ų2213%0.13411%0.107CC..Hα-helixtrans59.9-147.617400000112.6G47 R48 E49G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 3.28Å; G45-R48 PolarHBondContact O-N 3.39Å; G45-R48 VanDerWaalsContact O-N 3.1Å; G45-E49 PolarHBondContact O-N 2.89Å
46I98.7Very high98.8Very high20 Ų2024.5 Ų24.510%0.10312%0.117CC..Hα-helixtrans-55.4-41-176.4-56167.7000111.5R48 E49 M50 L215 I218 T220 K238 A242 I245I46-R48 VanDerWaalsContact C-N 3.31Å; I46-R48 PolarHBondContact O-N 3.49Å; I46-E49 PolarHBondContact O-N 3.46Å; I46-M50 HydrophobicContact CG2-CE 4.09Å; I46-M50 HydrophobicContact CG2-CG 4.33Å; I46-M50 HydrophobicContact CG2-SD 4.36Å; I46-M50 WeakPolarHBondContact O-CG 3.4Å; I46-M50 PolarHBondContact O-N 3.06Å; I46-L215 HydrophobicContact CD1-CD1 3.78Å; I46-I218 HydrophobicContact CD1-CB 4.06Å; I46-I218 HydrophobicContact CD1-CG1 3.96Å; I46-I218 HydrophobicContact CD1-CG2 3.97Å; I46-I218 HydrophobicContact CG1-CG2 3.97Å; I46-T220 HydrophobicContact CD1-CG2 4.39Å; I46-T220 HydrophobicContact CG1-CG2 3.79Å; I46-K238 HydrophobicContact CG1-CB 4.44Å; I46-A242 HydrophobicContact CG2-CB 4.22Å; I46-I245 HydrophobicContact CG2-CD1 3.57Å
47G98.8Very high98.7Very high0 Ų022.8 Ų22.80%011%0.11CC..Hα-helixtrans-59.7-38.6179.400000113.8G45 A51 N119G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 3.28Å; G47-A51 PolarHBondContact O-N 2.95Å; G47-A51 VanDerWaalsContact O-N 3.17Å; G47-N119 WeakPolarHBondContact CA-ND2 3.37Å
48R98.8Very high98.7Very high71 Ų7123.5 Ų23.527%0.26812%0.118SC..Hα-helixtrans-69.8-45.8176-179.5-178.868.6-161.91.5111.4A42 G45 I46 M50 A51 Y52 V74A42-R48 WeakPolarHBondContact O-CA 3.48Å; A42-R48 WeakPolarHBondContact O-CB 3.24Å; G45-R48 PolarHBondContact O-N 3.39Å; G45-R48 VanDerWaalsContact O-N 3.1Å; I46-R48 VanDerWaalsContact C-N 3.31Å; I46-R48 PolarHBondContact O-N 3.49Å; R48-M50 VanDerWaalsContact C-N 3.25Å; R48-M50 PolarHBondContact O-N 3.2Å; R48-A51 WeakPolarHBondContact O-CB 3.09Å; R48-A51 PolarHBondContact O-N 2.97Å; R48-A51 VanDerWaalsContact O-N 3.1Å; R48-Y52 WeakPolarHBondContact CD-OH 3.27Å; R48-Y52 HydrophobicContact CG-CD1 4.42Å; R48-Y52 HydrophobicContact CG-CD2 4.13Å; R48-Y52 HydrophobicContact CG-CE1 3.87Å; R48-Y52 HydrophobicContact CG-CE2 3.58Å; R48-Y52 VanDerWaalsContact CG-CZ 3.43Å; R48-Y52 PolarHBondContact O-N 2.82Å; R48-V74 HydrophobicContact CG-CG1 4.47Å; R48-V74 HydrophobicContact CG-CG2 3.83Å
49E98.9Very high98.7Very high20 Ų2023.5 Ų23.59%0.09312%0.118CC..Hα-helixtrans-63.9-33.8178.9-55.4-43.513700111.5G45 I46 Y52 H53 K238 E239 A242G45-E49 PolarHBondContact O-N 2.89Å; I46-E49 PolarHBondContact O-N 3.46Å; E49-Y52 PolarHBondContact O-N 3.29Å; E49-H53 PolarHBondContact O-CD2 3.16Å; E49-H53 PolarHBondContact O-N 2.83Å; E49-K238 HydrophobicContact CG-CD 4.3Å; E49-K238 HydrophobicContact CG-CG 3.98Å; E49-E239 HydrophobicContact CG-CG 4.41Å; E49-A242 HydrophobicContact CB-CB 3.62Å
50M98.9Very high98.7Very high0 Ų025.9 Ų25.90%013%0.129CC..Hα-helixtrans-62.8-45.2171.1-73.6-172.5-6500111.8V39 I46 R48 Y52 H53 L54 I117 N119 A242 I245 I246V39-M50 HydrophobicContact CG1-CB 4.29Å; V39-M50 HydrophobicContact CG1-CE 3.94Å; I46-M50 HydrophobicContact CG2-CE 4.09Å; I46-M50 HydrophobicContact CG2-CG 4.33Å; I46-M50 HydrophobicContact CG2-SD 4.36Å; I46-M50 WeakPolarHBondContact O-CG 3.4Å; I46-M50 PolarHBondContact O-N 3.06Å; R48-M50 VanDerWaalsContact C-N 3.25Å; R48-M50 PolarHBondContact O-N 3.2Å; M50-Y52 VanDerWaalsContact C-N 3.26Å; M50-Y52 PolarHBondContact O-N 3.48Å; M50-H53 PolarHBondContact O-N 3.08Å; M50-L54 WeakPolarHBondContact O-CB 3.34Å; M50-L54 WeakPolarHBondContact O-CD1 3.31Å; M50-L54 VanDerWaalsContact O-CG 3.25Å; M50-L54 WeakPolarHBondContact O-CG 3.4Å; M50-L54 PolarHBondContact O-N 2.93Å; M50-I117 HydrophobicContact CE-CG2 3.66Å; M50-I117 HydrophobicContact SD-CD1 4.36Å; M50-I117 HydrophobicContact SD-CG2 3.71Å; M50-N119 HydrophobicContact CE-CB 3.71Å; M50-A242 HydrophobicContact CB-CB 4.38Å; M50-A242 HydrophobicContact CG-CB 3.55Å; M50-I245 HydrophobicContact SD-CB 4.01Å; M50-I245 HydrophobicContact SD-CD1 4.11Å; M50-I245 HydrophobicContact SD-CG2 3.49Å; M50-I245 WeakPolarHBondContact SD-CG2 3.48Å; M50-I246 HydrophobicContact CB-CD1 4.19Å; M50-I246 HydrophobicContact CG-CD1 4.27Å; M50-I246 HydrophobicContact CG-CG1 4.34Å
51A98.9Very high98.7Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-60.2-37.717600000112G47 R48 A55 V63 V74 C78G47-A51 PolarHBondContact O-N 2.95Å; G47-A51 VanDerWaalsContact O-N 3.17Å; R48-A51 WeakPolarHBondContact O-CB 3.09Å; R48-A51 PolarHBondContact O-N 2.97Å; R48-A51 VanDerWaalsContact O-N 3.1Å; A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.19Å; A51-A55 PolarHBondContact O-N 3.39Å; A51-V63 HydrophobicContact CB-CG1 3.72Å; A51-V74 HydrophobicContact CB-CG1 4.11Å; A51-C78 PolarHBondContact O-SG 2.93Å; A51-C78 VanDerWaalsContact O-SG 3.41Å
52Y98.9Very high98.7Very high36 Ų3625.1 Ų25.114%0.14112%0.121CC..Hα-helixtrans-70.7-40.8177.4-65.7-10.3000113R48 E49 M50 A55 K56 V74 H77 L81R48-Y52 WeakPolarHBondContact CD-OH 3.27Å; R48-Y52 HydrophobicContact CG-CD1 4.42Å; R48-Y52 HydrophobicContact CG-CD2 4.13Å; R48-Y52 HydrophobicContact CG-CE1 3.87Å; R48-Y52 HydrophobicContact CG-CE2 3.58Å; R48-Y52 VanDerWaalsContact CG-CZ 3.43Å; R48-Y52 PolarHBondContact O-N 2.82Å; E49-Y52 PolarHBondContact O-N 3.29Å; M50-Y52 VanDerWaalsContact C-N 3.26Å; M50-Y52 PolarHBondContact O-N 3.48Å; Y52-A55 WeakPolarHBondContact O-CB 3.5Å; Y52-A55 PolarHBondContact O-N 3.35Å; Y52-K56 WeakPolarHBondContact O-CG 3.47Å; Y52-K56 PolarHBondContact O-N 3.41Å; Y52-V74 HydrophobicContact CE1-CB 4.43Å; Y52-V74 HydrophobicContact CE1-CG1 3.95Å; Y52-H77 AromaticContact CD1-CD2 3.96Å; Y52-H77 HydrophobicContact CE1-CB 3.87Å; Y52-H77 AromaticContact CE1-CD2 3.64Å; Y52-H77 AromaticContact CE2-CD2 3.65Å; Y52-H77 AromaticContact CZ-CD2 3.45Å; Y52-H77 VanDerWaalsContact CZ-CD2 3.45Å; Y52-L81 HydrophobicContact CD1-CD1 4.08Å; Y52-L81 HydrophobicContact CG-CD1 3.9Å
53H98.9Very high98.8Very high30 Ų3025.1 Ų25.114%0.13912%0.121CC..Hα-helixtrans-64.8-44.7174-79.3-59.2000112E49 M50 A55 K56 M57 E239 I246E49-H53 PolarHBondContact O-CD2 3.16Å; E49-H53 PolarHBondContact O-N 2.83Å; M50-H53 PolarHBondContact O-N 3.08Å; H53-A55 VanDerWaalsContact C-N 3.28Å; H53-A55 PolarHBondContact O-N 3.1Å; H53-K56 PolarHBondContact O-N 3.28Å; H53-M57 HydrophobicContact CB-CE 4.26Å; H53-M57 VanDerWaalsContact O-CG 3.25Å; H53-M57 WeakPolarHBondContact O-CG 3.41Å; H53-M57 PolarHBondContact O-N 3.02Å; H53-E239 PolarHBondContact NE2-O 3.16Å; H53-I246 HydrophobicContact CB-CD1 3.53Å
54L98.9Very high98.8Very high0 Ų024 Ų240%011%0.113CC..Hα-helixtrans-60.2-39.1175-71.8166.5000111.9L32 V37 V39 M50 M57 G58 A59 V61 I117 I246L32-L54 HydrophobicContact CD1-CD2 3.96Å; L32-L54 HydrophobicContact CG-CD2 4.07Å; V37-L54 HydrophobicContact CB-CD1 4.03Å; V37-L54 HydrophobicContact CB-CD2 4.47Å; V37-L54 HydrophobicContact CG1-CD1 3.54Å; V37-L54 HydrophobicContact CG1-CD2 4.34Å; V37-L54 HydrophobicContact CG2-CD2 4.06Å; V39-L54 HydrophobicContact CG2-CD1 3.62Å; M50-L54 WeakPolarHBondContact O-CB 3.34Å; M50-L54 WeakPolarHBondContact O-CD1 3.31Å; M50-L54 VanDerWaalsContact O-CG 3.25Å; M50-L54 WeakPolarHBondContact O-CG 3.4Å; M50-L54 PolarHBondContact O-N 2.93Å; L54-M57 PolarHBondContact O-N 2.97Å; L54-G58 PolarHBondContact O-N 3.08Å; L54-A59 HydrophobicContact CB-CB 4.1Å; L54-A59 HydrophobicContact CD2-CB 4.38Å; L54-A59 VanDerWaalsContact O-CB 3.27Å; L54-A59 WeakPolarHBondContact O-CB 3.5Å; L54-A59 PolarHBondContact O-N 3.02Å; L54-V61 HydrophobicContact CB-CG1 3.7Å; L54-V61 HydrophobicContact CD1-CG1 4.25Å; L54-I117 HydrophobicContact CD1-CD1 4.09Å; L54-I246 HydrophobicContact CD2-CD1 4.32Å; L54-I246 HydrophobicContact CD2-CG1 4.43Å; L54-I246 HydrophobicContact CD2-CG2 4.25Å; L54-I246 HydrophobicContact CG-CD1 3.92Å; L54-I246 HydrophobicContact CG-CG1 4.39Å
55A98.9Very high98.8Very high0 Ų020 Ų200%010%0.098CC..Hα-helixtrans-61-48.2174.100000112.2A51 Y52 H53 M57 G58 C78 L81 G82 A83A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.19Å; A51-A55 PolarHBondContact O-N 3.39Å; Y52-A55 WeakPolarHBondContact O-CB 3.5Å; Y52-A55 PolarHBondContact O-N 3.35Å; H53-A55 VanDerWaalsContact C-N 3.28Å; H53-A55 PolarHBondContact O-N 3.1Å; A55-M57 PolarHBondContact O-N 3.45Å; A55-G58 PolarHBondContact O-N 3.08Å; A55-C78 HydrophobicContact CB-CB 3.83Å; A55-C78 WeakPolarHBondContact CB-O 3.43Å; A55-L81 HydrophobicContact CB-CB 3.89Å; A55-L81 HydrophobicContact CB-CD1 4.48Å; A55-G82 CarbonylContact O-C 3.54Å; A55-A83 HydrophobicContact CB-CB 3.81Å; A55-A83 PolarHBondContact O-N 2.8Å
56K98.8Very high98.8Very high129 Ų12926.5 Ų26.556%0.56112%0.118SC*.Hα-helixtrans-59.8-28.1175.7-70.5172.5-178175.20113.2Y52 H53 G58 L81Y52-K56 WeakPolarHBondContact O-CG 3.47Å; Y52-K56 PolarHBondContact O-N 3.41Å; H53-K56 PolarHBondContact O-N 3.28Å; K56-G58 VanDerWaalsContact C-N 3.28Å; K56-L81 HydrophobicContact CG-CB 4.12Å; K56-L81 HydrophobicContact CG-CD1 4.35Å; K56-L81 HydrophobicContact CG-CD2 4.08Å; K56-L81 HydrophobicContact CG-CG 4.42Å
57M98.7Very high98.7Very high21 Ų2127.4 Ų27.410%0.10313%0.127CC..THydrogen-bonded Turntrans-841176.6-63.1167.6-170.700113F27 P29 L32 Q33 H53 L54 A55 L243 I246F27-M57 HydrophobicContact CE1-CE 4.1Å; F27-M57 HydrophobicContact CZ-CE 3.68Å; F27-M57 HydrophobicContact CZ-SD 3.99Å; P29-M57 HydrophobicContact CB-CG 4.14Å; L32-M57 HydrophobicContact CB-CB 3.84Å; L32-M57 HydrophobicContact CB-CG 4.43Å; L32-M57 HydrophobicContact CB-SD 3.93Å; L32-M57 HydrophobicContact CD2-SD 4.28Å; L32-M57 HydrophobicContact CG-SD 3.96Å; Q33-M57 WeakPolarHBondContact CA-O 3.47Å; Q33-M57 PolarHBondContact N-O 3.5Å; H53-M57 HydrophobicContact CB-CE 4.26Å; H53-M57 VanDerWaalsContact O-CG 3.25Å; H53-M57 WeakPolarHBondContact O-CG 3.41Å; H53-M57 PolarHBondContact O-N 3.02Å; L54-M57 PolarHBondContact O-N 2.97Å; A55-M57 PolarHBondContact O-N 3.45Å; M57-L243 HydrophobicContact CE-CD1 3.59Å; M57-I246 HydrophobicContact CE-CG2 4.42Å; M57-I246 HydrophobicContact SD-CG2 4.13Å
58G98.6Very high98.7Very high16 Ų1632.4 Ų32.417%0.16515%0.148CC..THydrogen-bonded Turntrans7428.2179.300000114.2G34 L54 A55 K56 A84G34-G58 PolarHBondContact N-O 3.39Å; L54-G58 PolarHBondContact O-N 3.08Å; A55-G58 PolarHBondContact O-N 3.08Å; K56-G58 VanDerWaalsContact C-N 3.28Å; G58-A84 WeakPolarHBondContact O-CB 3.5Å
59A98.9Very high98.7Very high0 Ų034.6 Ų34.60%016%0.161CC..  trans-77.8159.2176.300000112.4K35 V37 L54 V61 A84K35-A59 WeakPolarHBondContact O-CB 3.45Å; V37-A59 HydrophobicContact CG2-CB 4.43Å; L54-A59 HydrophobicContact CB-CB 4.1Å; L54-A59 HydrophobicContact CD2-CB 4.38Å; L54-A59 VanDerWaalsContact O-CB 3.27Å; L54-A59 WeakPolarHBondContact O-CB 3.5Å; L54-A59 PolarHBondContact O-N 3.02Å; A59-V61 HydrophobicContact CB-CG1 4.24Å; A59-A84 PolarHBondContact O-N 3.37Å
60H98.9Very high98.6Very high50 Ų5036.1 Ų36.123%0.23117%0.172CC..EExtended strand (participates in β ladder)trans-84.9124160.1-61.3-86.4000108.5G34 K35 K36 V37 A84 S85 M110G34-H60 PolarHBondContact O-CD2 3.39Å; K35-H60 PolarHBondContact O-N 3.4Å; K36-H60 HydrophobicContact CG-CB 4.36Å; V37-H60 PolarHBondContact N-O 2.8Å; H60-A84 VanDerWaalsContact CE1-CB 3.47Å; H60-A84 WeakPolarHBondContact CE1-CB 3.39Å; H60-S85 CarbonylContact C-O 3.59Å; H60-S85 WeakPolarHBondContact CA-O 3.31Å; H60-S85 WeakPolarHBondContact CB-OG 3.26Å; H60-S85 WeakPolarHBondContact ND1-CB 3.19Å; H60-S85 PolarHBondContact ND1-OG 2.75Å; H60-M110 HydrophobicContact CB-CG 4.18Å; H60-M110 HydrophobicContact CB-SD 4.03Å
61V98.9Very high98.6Very high1 Ų136.1 Ų36.11%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-121.2133.6-176.5-62.20000112.6V37 L54 A59 C78 S85 A86 H87V37-V61 WeakPolarHBondContact O-CA 3.29Å; L54-V61 HydrophobicContact CB-CG1 3.7Å; L54-V61 HydrophobicContact CD1-CG1 4.25Å; A59-V61 HydrophobicContact CB-CG1 4.24Å; V61-C78 HydrophobicContact CG2-CB 4.22Å; V61-S85 PolarHBondContact N-O 2.88Å; V61-A86 HydrophobicContact CG2-CB 3.63Å; V61-A86 WeakPolarHBondContact O-CA 3.4Å; V61-H87 PolarHBondContact O-N 2.95Å
62V98.9Very high98.6Very high0 Ų040 Ų400%019%0.191CC..EExtended strand (participates in β ladder)trans-116.7115.2164.5-179.70000109V37 I38 V39 H87 I89 F102 A106 M110V37-V62 PolarHBondContact O-N 3.29Å; I38-V62 WeakPolarHBondContact CA-O 3.34Å; I38-V62 HydrophobicContact CG1-CB 4.35Å; V39-V62 PolarHBondContact N-O 3.34Å; V62-H87 WeakPolarHBondContact CA-O 3.28Å; V62-H87 HydrophobicContact CG2-CB 4.32Å; V62-I89 HydrophobicContact CG1-CD1 4.18Å; V62-I89 HydrophobicContact CG1-CG1 4.32Å; V62-F102 HydrophobicContact CG1-CE2 3.86Å; V62-F102 HydrophobicContact CG1-CZ 4.28Å; V62-A106 HydrophobicContact CB-CB 3.99Å; V62-A106 HydrophobicContact CG1-CB 3.7Å; V62-A106 HydrophobicContact CG2-CB 4.1Å; V62-M110 HydrophobicContact CB-CE 4.28Å; V62-M110 HydrophobicContact CB-SD 4.44Å; V62-M110 HydrophobicContact CG2-CE 3.81Å; V62-M110 HydrophobicContact CG2-CG 3.72Å; V62-M110 HydrophobicContact CG2-SD 3.69Å
63V98.9Very high98.6Very high0 Ų045.7 Ų45.70%022%0.216CC..EExtended strand (participates in β ladder)trans-101.8143.1-178.5-68.30000111.5V39 A42 A51 L71 V74 V75 H87 Y88 I89V39-V63 HydrophobicContact CB-CG1 4.46Å; V39-V63 WeakPolarHBondContact O-CA 3.37Å; A42-V63 HydrophobicContact CB-CB 3.73Å; A42-V63 HydrophobicContact CB-CG1 3.7Å; A51-V63 HydrophobicContact CB-CG1 3.72Å; V63-L71 HydrophobicContact CB-CD2 4.09Å; V63-L71 HydrophobicContact CG2-CD2 3.87Å; V63-V74 HydrophobicContact CG1-CG1 4.34Å; V63-V74 HydrophobicContact CG2-CG1 4.37Å; V63-V75 HydrophobicContact CG2-CG2 3.6Å; V63-H87 WeakPolarHBondContact CG2-O 3.23Å; V63-H87 PolarHBondContact N-O 2.64Å; V63-Y88 WeakPolarHBondContact O-CA 2.89Å; V63-I89 PolarHBondContact O-N 3.28Å; V63-I89 VanDerWaalsContact O-N 3.12Å
64T98.9Very high98.6Very high1 Ų144.4 Ų44.41%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-137.8145.2175.6-172.90000113.1V39 T40 G41 A42 I89 M93 F102V39-T64 PolarHBondContact O-N 3.35Å; V39-T64 VanDerWaalsContact O-N 3.07Å; T40-T64 HydrophobicContact CG2-CG2 3.71Å; G41-T64 PolarHBondContact N-O 3.46Å; A42-T64 PolarHBondContact N-O 2.85Å; A42-T64 VanDerWaalsContact N-O 3.16Å; T64-I89 WeakPolarHBondContact CA-O 3.31Å; T64-I89 VanDerWaalsContact CB-O 3.22Å; T64-I89 WeakPolarHBondContact CB-O 3.12Å; T64-I89 PolarHBondContact OG1-O 3.42Å; T64-M93 HydrophobicContact CG2-CE 3.5Å; T64-M93 VanDerWaalsContact CG2-CE 3.5Å; T64-F102 HydrophobicContact CG2-CD1 4.26Å; T64-F102 HydrophobicContact CG2-CD2 4.46Å; T64-F102 HydrophobicContact CG2-CE1 3.58Å; T64-F102 HydrophobicContact CG2-CE2 3.84Å; T64-F102 HydrophobicContact CG2-CZ 3.35Å
65A98.7Very high98.6Very high13 Ų1345.2 Ų45.211%0.10722%0.215CC..EExtended strand (participates in β ladder)trans-170.1-177174.400000108S43 L71 A90 G91S43-A65 WeakPolarHBondContact OG-CB 3.04Å; A65-L71 HydrophobicContact CB-CD1 4.12Å; A65-L71 HydrophobicContact CB-CD2 3.91Å; A65-L71 HydrophobicContact CB-CG 4.1Å; A65-L71 WeakPolarHBondContact O-CD1 3.4Å; A65-A90 VanDerWaalsContact O-CA 3.29Å; A65-A90 WeakPolarHBondContact O-CA 3.32Å; A65-G91 CarbonylContact C-O 3.43Å; A65-G91 PolarHBondContact O-N 3.14Å
66R98.3Very high98.5Very high148 Ų14848.2 Ų48.256%0.55824%0.236SC*.SBendtrans-77.6-42.3-179.4-65.8174.3-68.7162.6-2.6114.1K68 G91R66-K68 PolarHBondContact O-N 3.38Å; R66-G91 WeakPolarHBondContact CG-O 3.42Å
67S97.4Very high98.6Very high40 Ų4045.4 Ų45.428%0.2823%0.225SC..  trans-85115-175.1161.50000111.2E69 T70 L71S67-E69 VanDerWaalsContact C-N 3.33Å; S67-E69 PolarHBondContact O-N 3.27Å; S67-E69 PolarHBondContact OG-OE2 3.5Å; S67-T70 WeakPolarHBondContact CB-OG1 3.25Å; S67-T70 PolarHBondContact O-OG1 3.49Å; S67-T70 PolarHBondContact OG-N 3.02Å; S67-T70 PolarHBondContact OG-OG1 3.49Å; S67-L71 VanDerWaalsContact O-CG 3.3Å; S67-L71 WeakPolarHBondContact O-CG 3.34Å; S67-L71 PolarHBondContact O-N 3.49Å
68K97.9Very high98.6Very high104 Ų10444.4 Ų44.445%0.45222%0.22SC..Hα-helixtrans-61.2-41.5175.5175.6172.4-179.5-175.30111.9R66 T70 L71 Q72 Y88 A90R66-K68 PolarHBondContact O-N 3.38Å; K68-T70 PolarHBondContact O-N 3.02Å; K68-L71 PolarHBondContact O-N 3.28Å; K68-Q72 HydrophobicContact CG-CG 4.46Å; K68-Q72 WeakPolarHBondContact O-CG 3.47Å; K68-Q72 PolarHBondContact O-N 3.28Å; K68-Y88 HydrophobicContact CD-CE2 4.41Å; K68-Y88 WeakPolarHBondContact CE-OH 3.5Å; K68-Y88 HydrophobicContact CG-CE2 3.75Å; K68-A90 HydrophobicContact CB-CB 4.21Å
69E97.9Very high98.6Very high117 Ų11748 Ų4855%0.54724%0.235SC..Hα-helixtrans-65.3-42-174.5-54.568-144.100111.1S67 K73S67-E69 VanDerWaalsContact C-N 3.33Å; S67-E69 PolarHBondContact O-N 3.27Å; S67-E69 PolarHBondContact OG-OE2 3.5Å; E69-K73 PolarHBondContact O-N 3.28Å
70T97.6Very high98.6Very high52 Ų5254.9 Ų54.932%0.31927%0.267SS..Hα-helixtrans-71.2-39.8176.652.80000111.7S43 S67 K68 Q72 K73 V74S43-T70 VanDerWaalsContact CB-OG1 3.29Å; S43-T70 WeakPolarHBondContact CB-OG1 3.35Å; S67-T70 WeakPolarHBondContact CB-OG1 3.25Å; S67-T70 PolarHBondContact O-OG1 3.49Å; S67-T70 PolarHBondContact OG-N 3.02Å; S67-T70 PolarHBondContact OG-OG1 3.49Å; K68-T70 PolarHBondContact O-N 3.02Å; T70-Q72 VanDerWaalsContact C-N 3.35Å; T70-Q72 PolarHBondContact O-N 3.36Å; T70-K73 PolarHBondContact O-N 2.88Å; T70-V74 WeakPolarHBondContact O-CG2 3.35Å; T70-V74 PolarHBondContact O-N 3.13Å; T70-V74 VanDerWaalsContact O-N 3.08Å
71L98.7Very high98.5Very high0 Ų054.8 Ų54.80%027%0.268CS..Hα-helixtrans-63.4-38.4175.7-73.4169.1000112.8V63 A65 S67 K68 K73 V74 V75 Y88 A90V63-L71 HydrophobicContact CB-CD2 4.09Å; V63-L71 HydrophobicContact CG2-CD2 3.87Å; A65-L71 HydrophobicContact CB-CD1 4.12Å; A65-L71 HydrophobicContact CB-CD2 3.91Å; A65-L71 HydrophobicContact CB-CG 4.1Å; A65-L71 WeakPolarHBondContact O-CD1 3.4Å; S67-L71 VanDerWaalsContact O-CG 3.3Å; S67-L71 WeakPolarHBondContact O-CG 3.34Å; S67-L71 PolarHBondContact O-N 3.49Å; K68-L71 PolarHBondContact O-N 3.28Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.46Å; L71-V74 PolarHBondContact O-N 2.86Å; L71-V75 WeakPolarHBondContact O-CG2 3.12Å; L71-V75 PolarHBondContact O-N 3.48Å; L71-Y88 HydrophobicContact CB-CD2 3.98Å; L71-Y88 HydrophobicContact CB-CG 3.86Å; L71-Y88 HydrophobicContact CD1-CD2 4.18Å; L71-A90 HydrophobicContact CD1-CB 4.01Å
72Q98.5Very high98.5Very high83 Ų8357 Ų5739%0.38829%0.29SS..Hα-helixtrans-58-45.4174.2-77.9174-19.600111.3K68 T70 V74 V75 S76 Y88K68-Q72 HydrophobicContact CG-CG 4.46Å; K68-Q72 WeakPolarHBondContact O-CG 3.47Å; K68-Q72 PolarHBondContact O-N 3.28Å; T70-Q72 VanDerWaalsContact C-N 3.35Å; T70-Q72 PolarHBondContact O-N 3.36Å; Q72-V74 VanDerWaalsContact C-N 3.34Å; Q72-V74 PolarHBondContact O-N 3.3Å; Q72-V75 PolarHBondContact O-N 2.99Å; Q72-S76 PolarHBondContact O-N 2.97Å; Q72-S76 PolarHBondContact O-OG 3.15Å; Q72-Y88 HydrophobicContact CB-CE1 4.49Å; Q72-Y88 HydrophobicContact CG-CD1 4.23Å; Q72-Y88 HydrophobicContact CG-CE1 3.46Å; Q72-Y88 VanDerWaalsContact CG-CE1 3.46Å; Q72-Y88 HydrophobicContact CG-CE2 4.41Å; Q72-Y88 PolarHBondContact NE2-OH 3.07Å; Q72-Y88 VanDerWaalsContact NE2-OH 3.1Å
73K98.6Very high98.5Very high155 Ų15557.5 Ų57.567%0.67430%0.295SS*.Hα-helixtrans-61.5-41.9176-66.3178-178.2-176.60112.2E69 T70 L71 H77E69-K73 PolarHBondContact O-N 3.28Å; T70-K73 PolarHBondContact O-N 2.88Å; L71-K73 VanDerWaalsContact C-N 3.32Å; L71-K73 PolarHBondContact O-N 3.46Å; K73-H77 WeakPolarHBondContact O-CB 3.36Å; K73-H77 PolarHBondContact O-N 3Å
74V98.8Very high98.5Very high3 Ų360.2 Ų60.22%0.01832%0.317CS..Hα-helixtrans-62.5-45.8176.6172.90000110.8R48 A51 Y52 V63 T70 L71 Q72 H77 C78R48-V74 HydrophobicContact CG-CG1 4.47Å; R48-V74 HydrophobicContact CG-CG2 3.83Å; A51-V74 HydrophobicContact CB-CG1 4.11Å; Y52-V74 HydrophobicContact CE1-CB 4.43Å; Y52-V74 HydrophobicContact CE1-CG1 3.95Å; V63-V74 HydrophobicContact CG1-CG1 4.34Å; V63-V74 HydrophobicContact CG2-CG1 4.37Å; T70-V74 WeakPolarHBondContact O-CG2 3.35Å; T70-V74 PolarHBondContact O-N 3.13Å; T70-V74 VanDerWaalsContact O-N 3.08Å; L71-V74 PolarHBondContact O-N 2.86Å; Q72-V74 VanDerWaalsContact C-N 3.34Å; Q72-V74 PolarHBondContact O-N 3.3Å; V74-H77 PolarHBondContact O-N 2.82Å; V74-C78 PolarHBondContact O-N 3.43Å; V74-C78 PolarHBondContact O-SG 2.93Å
75V98.8Very high98.5Very high16 Ų1661.2 Ų61.210%0.09733%0.325CS..Hα-helixtrans-62.8-46.7178165.60000111.9V63 L71 Q72 H77 C78 L79 A86 Y88V63-V75 HydrophobicContact CG2-CG2 3.6Å; L71-V75 WeakPolarHBondContact O-CG2 3.12Å; L71-V75 PolarHBondContact O-N 3.48Å; Q72-V75 PolarHBondContact O-N 2.99Å; V75-H77 VanDerWaalsContact C-N 3.28Å; V75-H77 PolarHBondContact O-N 3.09Å; V75-C78 WeakPolarHBondContact O-CB 3.48Å; V75-C78 PolarHBondContact O-N 2.86Å; V75-L79 HydrophobicContact CG1-CD1 4.35Å; V75-L79 WeakPolarHBondContact O-CG 3.47Å; V75-L79 PolarHBondContact O-N 2.75Å; V75-A86 HydrophobicContact CB-CB 4.49Å; V75-A86 HydrophobicContact CG1-CB 3.92Å; V75-A86 WeakPolarHBondContact CG1-O 3.38Å; V75-Y88 HydrophobicContact CB-CD1 4.42Å; V75-Y88 HydrophobicContact CG2-CD1 3.94Å; V75-Y88 HydrophobicContact CG2-CG 4.38Å
76S98.8Very high98.5Very high63 Ų6361 Ų6144%0.44132%0.323SS..Hα-helixtrans-55.6-46.4175.9-64.80000111.2Q72 L79 E80Q72-S76 PolarHBondContact O-N 2.97Å; Q72-S76 PolarHBondContact O-OG 3.15Å; S76-L79 PolarHBondContact O-N 2.99Å; S76-E80 WeakPolarHBondContact O-CG 3.36Å; S76-E80 PolarHBondContact O-N 3.38Å; S76-E80 VanDerWaalsContact O-N 3.09Å
77H98.8Very high98.5Very high70 Ų7057.3 Ų57.332%0.32431%0.311SS..Hα-helixtrans-69.9-34.4179.7-159.958.3000113.1Y52 K73 V74 V75 L79 E80 L81Y52-H77 AromaticContact CD1-CD2 3.96Å; Y52-H77 HydrophobicContact CE1-CB 3.87Å; Y52-H77 AromaticContact CE1-CD2 3.64Å; Y52-H77 AromaticContact CE2-CD2 3.65Å; Y52-H77 AromaticContact CZ-CD2 3.45Å; Y52-H77 VanDerWaalsContact CZ-CD2 3.45Å; K73-H77 WeakPolarHBondContact O-CB 3.36Å; K73-H77 PolarHBondContact O-N 3Å; V74-H77 PolarHBondContact O-N 2.82Å; V75-H77 VanDerWaalsContact C-N 3.28Å; V75-H77 PolarHBondContact O-N 3.09Å; H77-L79 VanDerWaalsContact C-N 3.3Å; H77-L79 PolarHBondContact O-N 3.1Å; H77-E80 IonicContact CE1-OE2 3.73Å; H77-E80 IonicContact CG-OE2 3.87Å; H77-E80 IonicContact ND1-OE2 2.87Å; H77-E80 PolarHBondContact ND1-OE2 2.92Å; H77-E80 PolarHBondContact O-N 2.81Å; H77-L81 WeakPolarHBondContact O-CB 3.02Å; H77-L81 VanDerWaalsContact O-CG 3.27Å; H77-L81 WeakPolarHBondContact O-CG 3.17Å; H77-L81 PolarHBondContact O-N 2.85Å
78C98.9Very high98.6Very high0 Ų058.7 Ų58.70%031%0.311CS..Hα-helixtrans-59.8-40.6171.4-75.30000111.9A51 A55 V61 V74 V75 L81 G82 A83 A86A51-C78 PolarHBondContact O-SG 2.93Å; A51-C78 VanDerWaalsContact O-SG 3.41Å; A55-C78 HydrophobicContact CB-CB 3.83Å; A55-C78 WeakPolarHBondContact CB-O 3.43Å; V61-C78 HydrophobicContact CG2-CB 4.22Å; V74-C78 PolarHBondContact O-N 3.43Å; V74-C78 PolarHBondContact O-SG 2.93Å; V75-C78 WeakPolarHBondContact O-CB 3.48Å; V75-C78 PolarHBondContact O-N 2.86Å; C78-L81 PolarHBondContact O-N 2.87Å; C78-G82 PolarHBondContact O-N 3.07Å; C78-A83 HydrophobicContact CB-CB 4.26Å; C78-A83 WeakPolarHBondContact O-CB 3.15Å; C78-A83 PolarHBondContact O-N 2.91Å; C78-A86 HydrophobicContact CB-CB 3.75Å
79L98.8Very high98.6Very high93 Ų9354.4 Ų54.449%0.48729%0.293SS..Hα-helixtrans-65.8-42.4176.3-65170.4000111.4V75 S76 H77 L81 G82 A86V75-L79 HydrophobicContact CG1-CD1 4.35Å; V75-L79 WeakPolarHBondContact O-CG 3.47Å; V75-L79 PolarHBondContact O-N 2.75Å; S76-L79 PolarHBondContact O-N 2.99Å; H77-L79 VanDerWaalsContact C-N 3.3Å; H77-L79 PolarHBondContact O-N 3.1Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.19Å; L79-G82 PolarHBondContact O-N 3.19Å; L79-A86 HydrophobicContact CD2-CB 3.91Å; L79-A86 HydrophobicContact CG-CB 4.02Å
80E98.7Very high98.7Very high144 Ų14450.6 Ų50.667%0.67328%0.281SS*.Hα-helixtrans-59.9-36.2174.8-69.2165.3-171.800112.6S76 H77 G82S76-E80 WeakPolarHBondContact O-CG 3.36Å; S76-E80 PolarHBondContact O-N 3.38Å; S76-E80 VanDerWaalsContact O-N 3.09Å; H77-E80 IonicContact CE1-OE2 3.73Å; H77-E80 IonicContact CG-OE2 3.87Å; H77-E80 IonicContact ND1-OE2 2.87Å; H77-E80 PolarHBondContact ND1-OE2 2.92Å; H77-E80 PolarHBondContact O-N 2.81Å; E80-G82 VanDerWaalsContact C-N 3.27Å; E80-G82 PolarHBondContact O-N 2.93Å
81L98.7Very high98.7Very high48 Ų4849 Ų4925%0.25128%0.275SS..THydrogen-bonded Turntrans-77.7-5.8179.7-71.9175.2000114.4Y52 A55 K56 H77 C78 L79Y52-L81 HydrophobicContact CD1-CD1 4.08Å; Y52-L81 HydrophobicContact CG-CD1 3.9Å; A55-L81 HydrophobicContact CB-CB 3.89Å; A55-L81 HydrophobicContact CB-CD1 4.48Å; K56-L81 HydrophobicContact CG-CB 4.12Å; K56-L81 HydrophobicContact CG-CD1 4.35Å; K56-L81 HydrophobicContact CG-CD2 4.08Å; K56-L81 HydrophobicContact CG-CG 4.42Å; H77-L81 WeakPolarHBondContact O-CB 3.02Å; H77-L81 VanDerWaalsContact O-CG 3.27Å; H77-L81 WeakPolarHBondContact O-CG 3.17Å; H77-L81 PolarHBondContact O-N 2.85Å; C78-L81 PolarHBondContact O-N 2.87Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.19Å
82G98.5Very high98.7Very high46 Ų4651.1 Ų51.147%0.47429%0.289SS..THydrogen-bonded Turntrans100.420.2176.200000115.8A55 C78 L79 E80 A84A55-G82 CarbonylContact O-C 3.54Å; C78-G82 PolarHBondContact O-N 3.07Å; L79-G82 PolarHBondContact O-N 3.19Å; E80-G82 VanDerWaalsContact C-N 3.27Å; E80-G82 PolarHBondContact O-N 2.93Å; G82-A84 PolarHBondContact O-N 2.91Å
83A98.7Very high98.7Very high12 Ų1247.8 Ų47.810%0.09927%0.273CS..  trans-56.9138.6172.200000111.2A55 C78 S85 A86A55-A83 HydrophobicContact CB-CB 3.81Å; A55-A83 PolarHBondContact O-N 2.8Å; C78-A83 HydrophobicContact CB-CB 4.26Å; C78-A83 WeakPolarHBondContact O-CB 3.15Å; C78-A83 PolarHBondContact O-N 2.91Å; A83-S85 VanDerWaalsContact C-N 3.26Å; A83-S85 PolarHBondContact O-N 2.97Å; A83-A86 HydrophobicContact CB-CB 4.38Å
84A98.6Very high98.7Very high57 Ų5743.9 Ų43.947%0.47126%0.257SS..SBendtrans-64.7-33.9176.200000111.9G58 A59 H60 G82G58-A84 WeakPolarHBondContact O-CB 3.5Å; A59-A84 PolarHBondContact O-N 3.37Å; H60-A84 VanDerWaalsContact CE1-CB 3.47Å; H60-A84 WeakPolarHBondContact CE1-CB 3.39Å; G82-A84 PolarHBondContact O-N 2.91Å
85S98.7Very high98.7Very high22 Ų2247.2 Ų47.215%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-157.6151.2161.967.50000109.7H60 V61 A83H60-S85 CarbonylContact C-O 3.59Å; H60-S85 WeakPolarHBondContact CA-O 3.31Å; H60-S85 WeakPolarHBondContact CB-OG 3.26Å; H60-S85 WeakPolarHBondContact ND1-CB 3.19Å; H60-S85 PolarHBondContact ND1-OG 2.75Å; V61-S85 PolarHBondContact N-O 2.88Å; A83-S85 VanDerWaalsContact C-N 3.26Å; A83-S85 PolarHBondContact O-N 2.97Å
86A98.8Very high98.7Very high8 Ų848.6 Ų48.67%0.06628%0.281CS..EExtended strand (participates in β ladder)trans-135.7129173.200000111.1V61 V75 C78 L79 A83V61-A86 HydrophobicContact CG2-CB 3.63Å; V61-A86 WeakPolarHBondContact O-CA 3.4Å; V75-A86 HydrophobicContact CB-CB 4.49Å; V75-A86 HydrophobicContact CG1-CB 3.92Å; V75-A86 WeakPolarHBondContact CG1-O 3.38Å; C78-A86 HydrophobicContact CB-CB 3.75Å; L79-A86 HydrophobicContact CD2-CB 3.91Å; L79-A86 HydrophobicContact CG-CB 4.02Å; A83-A86 HydrophobicContact CB-CB 4.38Å
87H98.8Very high98.7Very high70 Ų7049.3 Ų49.332%0.32428%0.283SS..EExtended strand (participates in β ladder)trans-134.1161.2175.7-56.2-75.2000110.7V61 V62 V63 L109V61-H87 PolarHBondContact O-N 2.95Å; V62-H87 WeakPolarHBondContact CA-O 3.28Å; V62-H87 HydrophobicContact CG2-CB 4.32Å; V63-H87 WeakPolarHBondContact CG2-O 3.23Å; V63-H87 PolarHBondContact N-O 2.64Å; H87-L109 HydrophobicContact CB-CD1 3.98Å
88Y98.8Very high98.7Very high69 Ų6947.2 Ų47.227%0.27127%0.273SS..EExtended strand (participates in β ladder)trans-129152171.571.6-87.2000111.4V63 K68 L71 Q72 V75V63-Y88 WeakPolarHBondContact O-CA 2.89Å; K68-Y88 HydrophobicContact CD-CE2 4.41Å; K68-Y88 WeakPolarHBondContact CE-OH 3.5Å; K68-Y88 HydrophobicContact CG-CE2 3.75Å; L71-Y88 HydrophobicContact CB-CD2 3.98Å; L71-Y88 HydrophobicContact CB-CG 3.86Å; L71-Y88 HydrophobicContact CD1-CD2 4.18Å; Q72-Y88 HydrophobicContact CB-CE1 4.49Å; Q72-Y88 HydrophobicContact CG-CD1 4.23Å; Q72-Y88 HydrophobicContact CG-CE1 3.46Å; Q72-Y88 VanDerWaalsContact CG-CE1 3.46Å; Q72-Y88 HydrophobicContact CG-CE2 4.41Å; Q72-Y88 PolarHBondContact NE2-OH 3.07Å; Q72-Y88 VanDerWaalsContact NE2-OH 3.1Å; V75-Y88 HydrophobicContact CB-CD1 4.42Å; V75-Y88 HydrophobicContact CG2-CD1 3.94Å; V75-Y88 HydrophobicContact CG2-CG 4.38Å
89I98.7Very high98.6Very high14 Ų1447.2 Ų47.27%0.07227%0.273CS..EExtended strand (participates in β ladder)trans-133.5115.8168.9-55.7170.8000106.7V62 V63 T64 F98 F102 Q105 A106 L109V62-I89 HydrophobicContact CG1-CD1 4.18Å; V62-I89 HydrophobicContact CG1-CG1 4.32Å; V63-I89 PolarHBondContact O-N 3.28Å; V63-I89 VanDerWaalsContact O-N 3.12Å; T64-I89 WeakPolarHBondContact CA-O 3.31Å; T64-I89 VanDerWaalsContact CB-O 3.22Å; T64-I89 WeakPolarHBondContact CB-O 3.12Å; T64-I89 PolarHBondContact OG1-O 3.42Å; I89-F98 HydrophobicContact CG2-CE2 3.93Å; I89-F98 HydrophobicContact CG2-CZ 4.21Å; I89-F102 HydrophobicContact CB-CD2 3.7Å; I89-F102 HydrophobicContact CB-CE2 3.93Å; I89-F102 HydrophobicContact CD1-CD2 3.7Å; I89-F102 HydrophobicContact CD1-CE2 3.94Å; I89-F102 HydrophobicContact CG1-CD2 4.22Å; I89-F102 HydrophobicContact CG1-CE2 4.31Å; I89-F102 HydrophobicContact CG2-CD2 3.99Å; I89-Q105 HydrophobicContact CD1-CB 3.76Å; I89-Q105 HydrophobicContact CD1-CG 3.61Å; I89-A106 HydrophobicContact CD1-CB 4.35Å; I89-L109 HydrophobicContact CD1-CD1 4.22Å
90A98.7Very high98.6Very high37 Ų3748.4 Ų48.431%0.30628%0.276SS..EExtended strand (participates in β ladder)trans-88.3137.5-177.100000111.1A65 K68 L71 F98A65-A90 VanDerWaalsContact O-CA 3.29Å; A65-A90 WeakPolarHBondContact O-CA 3.32Å; K68-A90 HydrophobicContact CB-CB 4.21Å; L71-A90 HydrophobicContact CD1-CB 4.01Å; A90-F98 WeakPolarHBondContact O-CE2 3.34Å
91G98.5Very high98.6Very high19 Ų1947.3 Ų47.320%0.19627%0.271CS..  trans174.5175.9174.900000112.7A65 R66A65-G91 CarbonylContact C-O 3.43Å; A65-G91 PolarHBondContact O-N 3.14Å; R66-G91 WeakPolarHBondContact CG-O 3.42Å
92T98.5Very high98.6Very high45 Ų4545 Ų4528%0.27626%0.259SS..  trans-102.3137.6178.9-171.40000110.8E94 D95 F98T92-E94 HydrophobicContact CG2-CB 4.09Å; T92-E94 PolarHBondContact O-N 2.9Å; T92-E94 PolarHBondContact OG1-N 3.32Å; T92-E94 PolarHBondContact OG1-OE2 3.26Å; T92-D95 HydrophobicContact CG2-CB 4.04Å; T92-D95 PolarHBondContact O-N 3.47Å; T92-F98 VanDerWaalsContact O-CD1 3.23Å; T92-F98 WeakPolarHBondContact O-CD1 3.47Å
93M98.7Very high98.6Very high12 Ų1242.9 Ų42.96%0.05924%0.236CC..THydrogen-bonded Turntrans-83.25.2174.4-63.5-68.2-177.300112.5T40 T64 M96 F98 A99 F102 H120 V142 S146 L150T40-M93 HydrophobicContact CG2-CE 3.96Å; T64-M93 HydrophobicContact CG2-CE 3.5Å; T64-M93 VanDerWaalsContact CG2-CE 3.5Å; M93-M96 WeakPolarHBondContact O-CE 3.38Å; M93-F98 HydrophobicContact CE-CE1 3.99Å; M93-F98 HydrophobicContact SD-CD1 4.26Å; M93-F98 HydrophobicContact SD-CE1 4.18Å; M93-A99 HydrophobicContact SD-CB 4.01Å; M93-F102 HydrophobicContact CE-CD1 4.04Å; M93-F102 HydrophobicContact CE-CE1 4.3Å; M93-H120 VanDerWaalsContact CB-CD2 3.48Å; M93-H120 WeakPolarHBondContact CB-CD2 3.35Å; M93-H120 WeakPolarHBondContact CB-NE2 3.21Å; M93-H120 VanDerWaalsContact CG-NE2 3.29Å; M93-H120 WeakPolarHBondContact CG-NE2 3.33Å; M93-V142 HydrophobicContact CB-CG1 4.41Å; M93-S146 WeakPolarHBondContact O-CB 3.36Å; M93-L150 HydrophobicContact CE-CD1 4.11Å; M93-L150 HydrophobicContact CE-CD2 4.2Å; M93-L150 HydrophobicContact SD-CD1 4Å; M93-L150 HydrophobicContact SD-CD2 4.34Å
94E98.3Very high98.6Very high73 Ų7345.4 Ų45.434%0.34126%0.257SS..THydrogen-bonded Turntrans-69.9-26.2162-66.3174.486.200111.1T92 K138 V142T92-E94 HydrophobicContact CG2-CB 4.09Å; T92-E94 PolarHBondContact O-N 2.9Å; T92-E94 PolarHBondContact OG1-N 3.32Å; T92-E94 PolarHBondContact OG1-OE2 3.26Å; E94-K138 WeakPolarHBondContact OE1-CE 3.36Å; E94-K138 IonicContact OE1-NZ 2.75Å; E94-K138 PolarHBondContact OE1-NZ 2.66Å; E94-K138 IonicContact OE2-NZ 3.55Å; E94-K138 PolarHBondContact OE2-NZ 3.42Å; E94-V142 HydrophobicContact CB-CG2 4.26Å; E94-V142 HydrophobicContact CG-CG2 3.28Å
95D98.6Very high98.6Very high74 Ų7447.6 Ų47.640%0.39626%0.258SS..  trans-94.7109.2178.1178.8-4.7000110T92 T97 F98 A99T92-D95 HydrophobicContact CG2-CB 4.04Å; T92-D95 PolarHBondContact O-N 3.47Å; D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 3.43Å; D95-T97 WeakPolarHBondContact OD1-CA 3.11Å; D95-T97 VanDerWaalsContact OD1-CB 3.3Å; D95-T97 WeakPolarHBondContact OD1-CB 3.33Å; D95-T97 PolarHBondContact OD1-N 3.23Å; D95-F98 HydrophobicContact CB-CB 3.87Å; D95-F98 WeakPolarHBondContact O-CB 3.14Å; D95-F98 PolarHBondContact O-N 3.45Å; D95-F98 PolarHBondContact OD1-N 2.96Å; D95-F98 VanDerWaalsContact OD1-N 3.1Å; D95-A99 PolarHBondContact O-N 3.47Å
96M98.5Very high98.6Very high45 Ų4546.6 Ų46.622%0.22225%0.25CS..Hα-helixtrans-69.6-28-179.8-59.8-59137.300112.5M93 A99 E100 E141 L145 V149M93-M96 WeakPolarHBondContact O-CE 3.38Å; M96-A99 PolarHBondContact O-N 2.98Å; M96-E100 PolarHBondContact O-N 3.47Å; M96-E100 VanDerWaalsContact O-N 3.08Å; M96-E141 HydrophobicContact CE-CB 4.29Å; M96-E141 WeakPolarHBondContact CE-O 3.45Å; M96-L145 HydrophobicContact CE-CB 4.42Å; M96-L145 HydrophobicContact SD-CD2 4.43Å; M96-L145 HydrophobicContact SD-CG 4.18Å; M96-V149 HydrophobicContact CB-CG2 4.32Å; M96-V149 HydrophobicContact CG-CG2 4.37Å; M96-V149 HydrophobicContact SD-CB 4.36Å; M96-V149 HydrophobicContact SD-CG2 3.78Å
97T98.6Very high98.5Very high78 Ų7846.4 Ų46.448%0.47925%0.25SC..Hα-helixtrans-69-41.4173.7-60.40000110.3D95 A99 E100 Q101D95-T97 VanDerWaalsContact C-N 3.3Å; D95-T97 PolarHBondContact O-N 3.43Å; D95-T97 WeakPolarHBondContact OD1-CA 3.11Å; D95-T97 VanDerWaalsContact OD1-CB 3.3Å; D95-T97 WeakPolarHBondContact OD1-CB 3.33Å; D95-T97 PolarHBondContact OD1-N 3.23Å; T97-A99 VanDerWaalsContact C-N 3.35Å; T97-E100 PolarHBondContact O-N 2.62Å; T97-Q101 HydrophobicContact CG2-CG 4.43Å; T97-Q101 WeakPolarHBondContact O-CB 3.45Å; T97-Q101 VanDerWaalsContact O-CG 3.3Å; T97-Q101 WeakPolarHBondContact O-CG 3.4Å; T97-Q101 PolarHBondContact O-N 2.84Å
98F98.7Very high98.5Very high26 Ų2651.9 Ų51.911%0.11427%0.272CS..Hα-helixtrans-59-46.4170.8171.1-98.8000111.4I89 A90 T92 M93 D95 E100 Q101 F102I89-F98 HydrophobicContact CG2-CE2 3.93Å; I89-F98 HydrophobicContact CG2-CZ 4.21Å; A90-F98 WeakPolarHBondContact O-CE2 3.34Å; T92-F98 VanDerWaalsContact O-CD1 3.23Å; T92-F98 WeakPolarHBondContact O-CD1 3.47Å; M93-F98 HydrophobicContact CE-CE1 3.99Å; M93-F98 HydrophobicContact SD-CD1 4.26Å; M93-F98 HydrophobicContact SD-CE1 4.18Å; D95-F98 HydrophobicContact CB-CB 3.87Å; D95-F98 WeakPolarHBondContact O-CB 3.14Å; D95-F98 PolarHBondContact O-N 3.45Å; D95-F98 PolarHBondContact OD1-N 2.96Å; D95-F98 VanDerWaalsContact OD1-N 3.1Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.48Å; F98-Q101 PolarHBondContact O-N 3.5Å; F98-F102 HydrophobicContact CE1-CB 4.23Å; F98-F102 HydrophobicContact CE2-CB 4.37Å; F98-F102 HydrophobicContact CZ-CB 4.08Å; F98-F102 HydrophobicContact CZ-CD2 4.43Å; F98-F102 HydrophobicContact CZ-CG 4.38Å; F98-F102 WeakPolarHBondContact O-CB 3.29Å; F98-F102 PolarHBondContact O-N 3.39Å
99A98.4Very high98.5Very high0 Ų052.2 Ų52.20%028%0.279CS..Hα-helixtrans-57.3-45.5-179.800000112.2M93 D95 M96 T97 V149 L150M93-A99 HydrophobicContact SD-CB 4.01Å; D95-A99 PolarHBondContact O-N 3.47Å; M96-A99 PolarHBondContact O-N 2.98Å; T97-A99 VanDerWaalsContact C-N 3.35Å; A99-V149 HydrophobicContact CB-CB 4.47Å; A99-V149 HydrophobicContact CB-CG1 3.99Å; A99-L150 HydrophobicContact CB-CD2 4.01Å; A99-L150 HydrophobicContact CB-CG 4.14Å; A99-L150 VanDerWaalsContact O-CD2 3.29Å; A99-L150 WeakPolarHBondContact O-CD2 3.45Å
100E98.1Very high98.5Very high118 Ų11852.2 Ų52.255%0.55128%0.279SS*.Hα-helixtrans-63.5-51.1176.4-175.5-179.9-173.200112.2M96 T97 F98 F102 V103 A104 V149 A153M96-E100 PolarHBondContact O-N 3.47Å; M96-E100 VanDerWaalsContact O-N 3.08Å; T97-E100 PolarHBondContact O-N 2.62Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 3.48Å; E100-F102 VanDerWaalsContact C-N 3.32Å; E100-F102 PolarHBondContact O-N 2.84Å; E100-V103 PolarHBondContact O-N 2.76Å; E100-A104 PolarHBondContact O-N 2.8Å; E100-V149 HydrophobicContact CB-CG1 4.15Å; E100-A153 HydrophobicContact CG-CB 4.38Å
101Q98.5Very high98.5Very high120 Ų12053.1 Ų53.156%0.56129%0.292SS*.Hα-helixtrans-64.9-36.4-178.3-70.8178.21.500112.7T97 F98 V103 A104 Q105T97-Q101 HydrophobicContact CG2-CG 4.43Å; T97-Q101 WeakPolarHBondContact O-CB 3.45Å; T97-Q101 VanDerWaalsContact O-CG 3.3Å; T97-Q101 WeakPolarHBondContact O-CG 3.4Å; T97-Q101 PolarHBondContact O-N 2.84Å; F98-Q101 PolarHBondContact O-N 3.5Å; Q101-V103 VanDerWaalsContact C-N 3.31Å; Q101-V103 PolarHBondContact O-N 3.46Å; Q101-A104 PolarHBondContact O-N 3.38Å; Q101-Q105 WeakPolarHBondContact O-CB 3.36Å; Q101-Q105 PolarHBondContact O-N 2.8Å
102F98.7Very high98.5Very high1 Ų152.8 Ų52.80%0.00429%0.288CS..Hα-helixtrans-55-47.2177.6162.7-112.5000111.4I38 T40 V62 T64 I89 M93 F98 E100 Q105 A106 L150I38-F102 HydrophobicContact CD1-CE1 4.36Å; I38-F102 HydrophobicContact CD1-CZ 4.47Å; I38-F102 HydrophobicContact CG1-CZ 4.38Å; I38-F102 HydrophobicContact CG2-CE1 3.58Å; I38-F102 HydrophobicContact CG2-CZ 3.65Å; T40-F102 HydrophobicContact CG2-CE1 4.27Å; V62-F102 HydrophobicContact CG1-CE2 3.86Å; V62-F102 HydrophobicContact CG1-CZ 4.28Å; T64-F102 HydrophobicContact CG2-CD1 4.26Å; T64-F102 HydrophobicContact CG2-CD2 4.46Å; T64-F102 HydrophobicContact CG2-CE1 3.58Å; T64-F102 HydrophobicContact CG2-CE2 3.84Å; T64-F102 HydrophobicContact CG2-CZ 3.35Å; I89-F102 HydrophobicContact CB-CD2 3.7Å; I89-F102 HydrophobicContact CB-CE2 3.93Å; I89-F102 HydrophobicContact CD1-CD2 3.7Å; I89-F102 HydrophobicContact CD1-CE2 3.94Å; I89-F102 HydrophobicContact CG1-CD2 4.22Å; I89-F102 HydrophobicContact CG1-CE2 4.31Å; I89-F102 HydrophobicContact CG2-CD2 3.99Å; M93-F102 HydrophobicContact CE-CD1 4.04Å; M93-F102 HydrophobicContact CE-CE1 4.3Å; F98-F102 HydrophobicContact CE1-CB 4.23Å; F98-F102 HydrophobicContact CE2-CB 4.37Å; F98-F102 HydrophobicContact CZ-CB 4.08Å; F98-F102 HydrophobicContact CZ-CD2 4.43Å; F98-F102 HydrophobicContact CZ-CG 4.38Å; F98-F102 WeakPolarHBondContact O-CB 3.29Å; F98-F102 PolarHBondContact O-N 3.39Å; E100-F102 VanDerWaalsContact C-N 3.32Å; E100-F102 PolarHBondContact O-N 2.84Å; F102-Q105 PolarHBondContact O-N 3.49Å; F102-A106 HydrophobicContact CE2-CB 4.26Å; F102-A106 HydrophobicContact CZ-CB 4.46Å; F102-A106 VanDerWaalsContact O-CB 3.24Å; F102-A106 WeakPolarHBondContact O-CB 3.36Å; F102-A106 PolarHBondContact O-N 3.5Å; F102-L150 HydrophobicContact CD1-CD2 3.74Å; F102-L150 HydrophobicContact CE1-CD2 4.3Å
103V98.7Very high98.5Very high0 Ų050.8 Ų50.80%028%0.276CS..Hα-helixtrans-66.6-42.2-178.3174.80000111.2E100 Q101 Q105 A106 G107 L150 A153 A154 M157E100-V103 PolarHBondContact O-N 2.76Å; Q101-V103 VanDerWaalsContact C-N 3.31Å; Q101-V103 PolarHBondContact O-N 3.46Å; V103-Q105 PolarHBondContact O-N 3.48Å; V103-A106 PolarHBondContact O-N 3.13Å; V103-G107 PolarHBondContact O-N 3.33Å; V103-L150 HydrophobicContact CG2-CB 4.39Å; V103-L150 HydrophobicContact CG2-CD2 3.48Å; V103-L150 VanDerWaalsContact CG2-CD2 3.48Å; V103-A153 HydrophobicContact CB-CB 3.84Å; V103-A153 HydrophobicContact CG1-CB 4.01Å; V103-A153 HydrophobicContact CG2-CB 4.19Å; V103-A154 HydrophobicContact CG1-CB 3.81Å; V103-M157 HydrophobicContact CG1-CE 3.7Å
104A98.1Very high98.5Very high65 Ų6551.4 Ų51.454%0.53728%0.279SS..Hα-helixtrans-61.5-44.2176.500000111.8E100 Q101 G107 K108E100-A104 PolarHBondContact O-N 2.8Å; Q101-A104 PolarHBondContact O-N 3.38Å; A104-G107 PolarHBondContact O-N 3.34Å; A104-K108 PolarHBondContact O-N 3Å
105Q98.5Very high98.5Very high104 Ų10448.3 Ų48.349%0.48627%0.265SS..Hα-helixtrans-67.8-42.4178.2-173.4-179.8-3.500112.1I89 Q101 F102 V103 K108 L109I89-Q105 HydrophobicContact CD1-CB 3.76Å; I89-Q105 HydrophobicContact CD1-CG 3.61Å; Q101-Q105 WeakPolarHBondContact O-CB 3.36Å; Q101-Q105 PolarHBondContact O-N 2.8Å; F102-Q105 PolarHBondContact O-N 3.49Å; V103-Q105 PolarHBondContact O-N 3.48Å; Q105-K108 PolarHBondContact O-N 2.86Å; Q105-L109 WeakPolarHBondContact O-CG 3.45Å; Q105-L109 PolarHBondContact O-N 2.93Å
106A98.7Very high98.5Very high0 Ų044.8 Ų44.80%025%0.246CC..Hα-helixtrans-61.5-44175.700000111.7I38 V62 I89 F102 V103 K108 L109 M110I38-A106 HydrophobicContact CD1-CB 3.55Å; I38-A106 HydrophobicContact CG1-CB 3.86Å; V62-A106 HydrophobicContact CB-CB 3.99Å; V62-A106 HydrophobicContact CG1-CB 3.7Å; V62-A106 HydrophobicContact CG2-CB 4.1Å; I89-A106 HydrophobicContact CD1-CB 4.35Å; F102-A106 HydrophobicContact CE2-CB 4.26Å; F102-A106 HydrophobicContact CZ-CB 4.46Å; F102-A106 VanDerWaalsContact O-CB 3.24Å; F102-A106 WeakPolarHBondContact O-CB 3.36Å; F102-A106 PolarHBondContact O-N 3.5Å; V103-A106 PolarHBondContact O-N 3.13Å; A106-K108 VanDerWaalsContact C-N 3.33Å; A106-K108 PolarHBondContact O-N 3.04Å; A106-L109 PolarHBondContact O-N 3.43Å; A106-M110 PolarHBondContact O-N 3.08Å; A106-M110 VanDerWaalsContact O-N 3.13Å
107G98.1Very high98.5Very high5 Ų542.6 Ų42.65%0.05224%0.235CC..Hα-helixtrans-60.3-40.6174.600000112.8V103 A104 G111 G112 M157V103-G107 PolarHBondContact O-N 3.33Å; A104-G107 PolarHBondContact O-N 3.34Å; G107-G111 CarbonylContact O-C 3.2Å; G107-G111 WeakPolarHBondContact O-CA 3.36Å; G107-G111 PolarHBondContact O-N 3.1Å; G107-G112 PolarHBondContact O-N 3.47Å; G107-M157 VanDerWaalsContact CA-SD 3.54Å
108K98.4Very high98.6Very high184 Ų18438.9 Ų38.980%0.821%0.212SC*.Hα-helixtrans-64.2-42.5174.8-174.2-179.8179.7-179.90112.4A104 Q105 A106 M110 G111A104-K108 PolarHBondContact O-N 3Å; Q105-K108 PolarHBondContact O-N 2.86Å; A106-K108 VanDerWaalsContact C-N 3.33Å; A106-K108 PolarHBondContact O-N 3.04Å; K108-M110 PolarHBondContact O-N 3.31Å; K108-G111 PolarHBondContact O-N 3.47Å
109L98.4Very high98.6Very high76 Ų7638.7 Ų38.740%0.39821%0.212SC..Hα-helixtrans-63.5-39.4179.6-74168.4000112.5H87 I89 Q105 A106H87-L109 HydrophobicContact CB-CD1 3.98Å; I89-L109 HydrophobicContact CD1-CD1 4.22Å; Q105-L109 WeakPolarHBondContact O-CG 3.45Å; Q105-L109 PolarHBondContact O-N 2.93Å; A106-L109 PolarHBondContact O-N 3.43Å
110M98.5Very high98.6Very high15 Ų1539.4 Ų39.47%0.07422%0.216CC..Hα-helixtrans-93.7-9.6-178.5-63.5-173-68.500113.8K36 I38 H60 V62 A106 K108 L113K36-M110 HydrophobicContact CB-CB 4Å; K36-M110 HydrophobicContact CB-CE 4.18Å; K36-M110 HydrophobicContact CB-SD 3.86Å; K36-M110 HydrophobicContact CD-CB 4.17Å; K36-M110 VanDerWaalsContact CD-O 3.27Å; K36-M110 WeakPolarHBondContact CD-O 3.39Å; K36-M110 WeakPolarHBondContact CE-O 3.47Å; K36-M110 HydrophobicContact CG-CB 3.96Å; I38-M110 HydrophobicContact CG1-CE 3.98Å; H60-M110 HydrophobicContact CB-CG 4.18Å; H60-M110 HydrophobicContact CB-SD 4.03Å; V62-M110 HydrophobicContact CB-CE 4.28Å; V62-M110 HydrophobicContact CB-SD 4.44Å; V62-M110 HydrophobicContact CG2-CE 3.81Å; V62-M110 HydrophobicContact CG2-CG 3.72Å; V62-M110 HydrophobicContact CG2-SD 3.69Å; A106-M110 PolarHBondContact O-N 3.08Å; A106-M110 VanDerWaalsContact O-N 3.13Å; K108-M110 PolarHBondContact O-N 3.31Å; M110-L113 HydrophobicContact CE-CD1 3.71Å
111G98.3Very high98.6Very high56 Ų5637.1 Ų37.158%0.57721%0.207SC*.THydrogen-bonded Turntrans65.339.2-172.400000113.2K36 G107 K108K36-G111 PolarHBondContact NZ-O 3.28Å; G107-G111 CarbonylContact O-C 3.2Å; G107-G111 WeakPolarHBondContact O-CA 3.36Å; G107-G111 PolarHBondContact O-N 3.1Å; K108-G111 PolarHBondContact O-N 3.47Å
112G98.5Very high98.6Very high12 Ų1232 Ų3212%0.12418%0.184CC..SBendtrans135.5-173.4-178.900000113.2G107G107-G112 PolarHBondContact O-N 3.47Å
113L98.9Very high98.5Very high3 Ų336.7 Ų36.72%0.01621%0.209CC..  trans-150.3128179.8-171.767.3000110.5I38 M110 M115 L116 A154 M157 L158 S161I38-L113 HydrophobicContact CB-CD1 4.14Å; I38-L113 HydrophobicContact CD1-CD1 3.67Å; I38-L113 HydrophobicContact CD1-CD2 3.97Å; I38-L113 HydrophobicContact CD1-CG 4.5Å; I38-L113 HydrophobicContact CG1-CD1 3.64Å; M110-L113 HydrophobicContact CE-CD1 3.71Å; L113-M115 WeakPolarHBondContact CD1-O 3.35Å; L113-L116 HydrophobicContact CD2-CB 4.36Å; L113-A154 HydrophobicContact CD2-CB 3.75Å; L113-M157 HydrophobicContact CB-CB 3.83Å; L113-M157 HydrophobicContact CB-CE 4.31Å; L113-M157 HydrophobicContact CB-SD 4.17Å; L113-M157 HydrophobicContact CD2-CE 4.41Å; L113-L158 HydrophobicContact CB-CD2 4.48Å; L113-L158 HydrophobicContact CD2-CD2 4.02Å; L113-L158 HydrophobicContact CD2-CG 4.14Å; L113-L158 HydrophobicContact CG-CD2 3.94Å; L113-S161 WeakPolarHBondContact O-CB 3.31Å; L113-S161 PolarHBondContact O-OG 2.92Å
114D98.9Very high98.3Very high24 Ų2438.4 Ų38.413%0.12822%0.219CC..SBendtrans-104-34.1175.8-66.5-88.6000112K35 K36 G163 S164K35-D114 HydrophobicContact CB-CB 4.24Å; K35-D114 HydrophobicContact CD-CB 3.84Å; K35-D114 VanDerWaalsContact CD-CG 3.47Å; K35-D114 WeakPolarHBondContact CD-OD1 3.39Å; K35-D114 IonicContact NZ-OD1 3.53Å; K35-D114 PolarHBondContact NZ-OD1 2.78Å; K36-D114 WeakPolarHBondContact CB-OD2 3.3Å; K36-D114 PolarHBondContact N-OD2 3.32Å; K36-D114 PolarHBondContact O-N 2.95Å; D114-G163 CarbonylContact O-C 3.15Å; D114-G163 WeakPolarHBondContact O-CA 3.44Å; D114-S164 PolarHBondContact O-N 3.36Å
115M98.9Very high98.1Very high8 Ų838.6 Ų38.64%0.03922%0.216CC..EExtended strand (participates in β ladder)trans-142.7131.1-178.1-172.5177.7-68.700112.3L32 K36 V37 I38 L113 I117 S164 V166 G249 A250L32-M115 HydrophobicContact CD1-CE 4.19Å; K36-M115 PolarHBondContact O-N 2.83Å; K36-M115 VanDerWaalsContact O-N 3.09Å; V37-M115 WeakPolarHBondContact CA-O 3.36Å; V37-M115 HydrophobicContact CB-CB 4.49Å; V37-M115 HydrophobicContact CG1-CB 4.02Å; V37-M115 HydrophobicContact CG1-CG 4.29Å; V37-M115 HydrophobicContact CG2-CB 4.06Å; I38-M115 PolarHBondContact N-O 2.85Å; L113-M115 WeakPolarHBondContact CD1-O 3.35Å; M115-I117 HydrophobicContact CG-CD1 4.48Å; M115-I117 HydrophobicContact CG-CG1 3.93Å; M115-I117 HydrophobicContact SD-CD1 3.93Å; M115-I117 HydrophobicContact SD-CG1 3.99Å; M115-S164 CarbonylContact C-O 3.24Å; M115-S164 VanDerWaalsContact CA-O 3.29Å; M115-S164 WeakPolarHBondContact CA-O 3.1Å; M115-V166 HydrophobicContact CG-CG2 4.08Å; M115-V166 HydrophobicContact SD-CG2 3.94Å; M115-G249 VanDerWaalsContact CE-C 3.5Å; M115-A250 HydrophobicContact CE-CB 4.41Å
116L98.9Very high97.9Very high0 Ų035 Ų350%020%0.2CC..EExtended strand (participates in β ladder)trans-109.3110.1173.8176.564.3000109.7I38 L113 L118 L150 A154 L158 S164 V166I38-L116 HydrophobicContact CB-CD1 3.88Å; I38-L116 HydrophobicContact CD1-CD1 4.31Å; I38-L116 HydrophobicContact CG2-CD1 3.59Å; L113-L116 HydrophobicContact CD2-CB 4.36Å; L116-L118 HydrophobicContact CD1-CD2 3.86Å; L116-L118 HydrophobicContact CD2-CD1 4.24Å; L116-L118 HydrophobicContact CD2-CD2 3.9Å; L116-L118 HydrophobicContact CD2-CG 4.16Å; L116-L118 HydrophobicContact CG-CD2 3.74Å; L116-L118 HydrophobicContact CG-CG 3.96Å; L116-L150 HydrophobicContact CD2-CB 4.45Å; L116-A154 HydrophobicContact CD2-CB 3.68Å; L116-L158 HydrophobicContact CB-CD1 4.22Å; L116-S164 PolarHBondContact N-O 3.16Å; L116-V166 PolarHBondContact O-N 3.01Å
117I98.9Very high97.7Very high0 Ų039.8 Ų39.80%023%0.226CC..EExtended strand (participates in β ladder)trans-100.8107177.7-50.8-173.8000110.6V37 I38 V39 T40 M50 L54 M115 N119 V166V37-I117 HydrophobicContact CG1-CD1 3.89Å; V37-I117 HydrophobicContact CG1-CG1 4Å; I38-I117 WeakPolarHBondContact O-CB 3.3Å; I38-I117 PolarHBondContact O-N 3.38Å; V39-I117 HydrophobicContact CG1-CB 4.38Å; V39-I117 HydrophobicContact CG1-CG2 4.37Å; V39-I117 HydrophobicContact CG2-CB 4.44Å; V39-I117 HydrophobicContact CG2-CD1 4.24Å; T40-I117 PolarHBondContact N-O 3.19Å; T40-I117 PolarHBondContact OG1-O 2.88Å; M50-I117 HydrophobicContact CE-CG2 3.66Å; M50-I117 HydrophobicContact SD-CD1 4.36Å; M50-I117 HydrophobicContact SD-CG2 3.71Å; L54-I117 HydrophobicContact CD1-CD1 4.09Å; M115-I117 HydrophobicContact CG-CD1 4.48Å; M115-I117 HydrophobicContact CG-CG1 3.93Å; M115-I117 HydrophobicContact SD-CD1 3.93Å; M115-I117 HydrophobicContact SD-CG1 3.99Å; I117-N119 HydrophobicContact CG2-CB 4.45Å; I117-V166 HydrophobicContact CB-CB 4.47Å; I117-V166 HydrophobicContact CG1-CB 4.18Å; I117-V166 HydrophobicContact CG1-CG2 4.38Å; I117-V166 HydrophobicContact CG2-CB 4.32Å; I117-V166 HydrophobicContact CG2-CG1 4.36Å
118L98.9Very high97.7Very high0 Ų046 Ų460%026%0.257CS..EExtended strand (participates in β ladder)trans-9599.3-179.4-56.2177.2000110.3T40 L116 Y147 L150 I165 V166 V167 V168 F194T40-L118 HydrophobicContact CG2-CD2 4.37Å; T40-L118 WeakPolarHBondContact OG1-CA 3.46Å; L116-L118 HydrophobicContact CD1-CD2 3.86Å; L116-L118 HydrophobicContact CD2-CD1 4.24Å; L116-L118 HydrophobicContact CD2-CD2 3.9Å; L116-L118 HydrophobicContact CD2-CG 4.16Å; L116-L118 HydrophobicContact CG-CD2 3.74Å; L116-L118 HydrophobicContact CG-CG 3.96Å; L118-Y147 HydrophobicContact CB-CD1 4.38Å; L118-Y147 HydrophobicContact CB-CD2 3.39Å; L118-Y147 HydrophobicContact CB-CE1 4.33Å; L118-Y147 HydrophobicContact CB-CE2 3.32Å; L118-Y147 HydrophobicContact CB-CG 3.94Å; L118-Y147 HydrophobicContact CD1-CD2 3.78Å; L118-Y147 HydrophobicContact CD1-CG 3.96Å; L118-Y147 HydrophobicContact CG-CD2 4.16Å; L118-Y147 HydrophobicContact CG-CG 4.41Å; L118-Y147 VanDerWaalsContact O-CE2 3.22Å; L118-Y147 WeakPolarHBondContact O-CE2 3.45Å; L118-Y147 PolarHBondContact O-OH 2.87Å; L118-Y147 VanDerWaalsContact O-OH 3.06Å; L118-L150 HydrophobicContact CD2-CB 3.86Å; L118-L150 HydrophobicContact CD2-CD1 3.53Å; L118-L150 HydrophobicContact CD2-CG 4.33Å; L118-I165 HydrophobicContact CD1-CG2 4.08Å; L118-V166 PolarHBondContact N-O 3.09Å; L118-V167 HydrophobicContact CD1-CG2 4.44Å; L118-V168 PolarHBondContact O-N 3.33Å; L118-F194 HydrophobicContact CD1-CE1 4.37Å; L118-F194 HydrophobicContact CD1-CZ 3.91Å
119N98.9Very high97.6Very high21 Ų2142.9 Ų42.911%0.11224%0.244CC..  trans-127.2-20-169.8161.985000115.3T40 G41 G47 M50 I117 Y147 V168T40-N119 VanDerWaalsContact O-CB 3.32Å; T40-N119 WeakPolarHBondContact O-CB 3.41Å; T40-N119 PolarHBondContact O-ND2 3.39Å; T40-N119 PolarHBondContact OG1-N 2.85Å; G41-N119 PolarHBondContact O-ND2 2.99Å; G47-N119 WeakPolarHBondContact CA-ND2 3.37Å; M50-N119 HydrophobicContact CE-CB 3.71Å; I117-N119 HydrophobicContact CG2-CB 4.45Å; N119-Y147 VanDerWaalsContact CA-OH 3.23Å; N119-Y147 WeakPolarHBondContact CA-OH 3.28Å; N119-Y147 PolarHBondContact N-OH 3.39Å; N119-Y147 VanDerWaalsContact N-OH 3.16Å; N119-V168 HydrophobicContact CB-CB 4.19Å; N119-V168 HydrophobicContact CB-CG2 3.78Å
120H98.8Very high97.4Very high15 Ų1547.3 Ų47.37%0.06926%0.262CS..  trans-64.9148.1-177.166.3-84.2000113.6T40 M93 V142 S146 Y147T40-H120 WeakPolarHBondContact CB-ND1 3.28Å; T40-H120 PolarHBondContact OG1-N 2.82Å; T40-H120 PolarHBondContact OG1-ND1 2.8Å; M93-H120 VanDerWaalsContact CB-CD2 3.48Å; M93-H120 WeakPolarHBondContact CB-CD2 3.35Å; M93-H120 WeakPolarHBondContact CB-NE2 3.21Å; M93-H120 VanDerWaalsContact CG-NE2 3.29Å; M93-H120 WeakPolarHBondContact CG-NE2 3.33Å; H120-V142 PolarHBondContact CD2-O 3.4Å; H120-V142 PolarHBondContact NE2-O 3.46Å; H120-S146 PolarHBondContact NE2-OG 3.49Å; H120-Y147 AromaticContact CD2-CE1 3.94Å; H120-Y147 AromaticContact CE1-CD1 3.49Å; H120-Y147 VanDerWaalsContact CE1-CD1 3.49Å; H120-Y147 WeakPolarHBondContact CE1-CD1 3.49Å; H120-Y147 AromaticContact CE1-CE1 3.25Å; H120-Y147 WeakPolarHBondContact CE1-CE1 3.27Å; H120-Y147 PolarHBondContact N-OH 2.98Å; H120-Y147 AromaticContact ND1-CE1 3.58Å; H120-Y147 AromaticContact NE2-CD1 3.73Å; H120-Y147 AromaticContact NE2-CE1 3.5Å; H120-Y147 WeakPolarHBondContact NE2-CE1 3.21Å; H120-Y147 WeakPolarHBondContact O-CE1 3.39Å; H120-Y147 PolarHBondContact O-OH 3.41Å
121I98.7Very high97.1Very high71 Ų7152.9 Ų52.936%0.36429%0.293SS..  trans-136.6156.7168.859.3171.5000109.7N143 Y183I121-N143 VanDerWaalsContact CA-OD1 3.25Å; I121-N143 WeakPolarHBondContact CA-OD1 3.33Å; I121-Y183 HydrophobicContact CD1-CE2 4.06Å; I121-Y183 HydrophobicContact CG2-CE2 4.3Å
122T98.2Very high97Very high12 Ų1254 Ų547%0.07429%0.285CS..  trans-67.1154.7164.3-166.50000110.3T124 K138 N143T122-T124 PolarHBondContact O-N 3.49Å; T122-T124 PolarHBondContact O-OG1 2.98Å; T122-T124 VanDerWaalsContact O-OG1 3.11Å; T122-K138 VanDerWaalsContact OG1-CE 3.25Å; T122-K138 WeakPolarHBondContact OG1-CE 3.25Å; T122-N143 PolarHBondContact N-OD1 2.96Å
123N96.5Very high96.9Very high100 Ų10057.5 Ų57.554%0.53530%0.3SS..  trans-59.9127.7177.3-71.5-16000109.5H135N123-H135 PolarHBondContact O-CE1 3.05Å
124T94.9Very high96.9Very high35 Ų3563.3 Ų63.322%0.21533%0.327CS..  trans-132.9136.7-176.8-55.30000108.6T122 Y183T122-T124 PolarHBondContact O-N 3.49Å; T122-T124 PolarHBondContact O-OG1 2.98Å; T122-T124 VanDerWaalsContact O-OG1 3.11Å; T124-Y183 HydrophobicContact CG2-CG 4.41Å
125S92.9Very high96.8Very high69 Ų6964.2 Ų64.248%0.48333%0.331SS..  trans-123.3160172.657.90000110.4N127S125-N127 PolarHBondContact O-N 3.43Å; S125-N127 PolarHBondContact OG-ND2 3.44Å
126L95.2Very high96.8Very high28 Ų2866 Ų6615%0.14734%0.342CS..  trans-77.1111.5176.4-59.9-175.3000109.9M179 V180 A226 V227 I230 V231L126-M179 HydrophobicContact CB-CB 3.96Å; L126-M179 HydrophobicContact CD2-CB 4.25Å; L126-V180 HydrophobicContact CD2-CG1 3.34Å; L126-A226 WeakPolarHBondContact CD1-O 3.23Å; L126-V227 HydrophobicContact CD1-CG1 4.31Å; L126-I230 HydrophobicContact CB-CD1 3.95Å; L126-I230 HydrophobicContact CD1-CB 4.03Å; L126-I230 HydrophobicContact CD1-CD1 4.19Å; L126-I230 HydrophobicContact CD1-CG2 3.76Å; L126-V231 HydrophobicContact CD1-CG2 3.88Å
127N94.9Very high96.8Very high102 Ų10272.9 Ų72.955%0.54537%0.368SS..  trans-146.5147176.2-74.4-55.6000110.9S125 F129 M179S125-N127 PolarHBondContact O-N 3.43Å; S125-N127 PolarHBondContact OG-ND2 3.44Å; N127-F129 PolarHBondContact O-N 3.39Å; N127-M179 VanDerWaalsContact C-SD 3.58Å; N127-M179 PolarHBondContact N-O 3.47Å; N127-M179 VanDerWaalsContact N-O 3.13Å; N127-M179 CarbonylContact O-C 3.37Å; N127-M179 WeakPolarHBondContact O-CA 3.25Å
128L96.5Very high96.7Very high135 Ų13575.2 Ų75.271%0.70738%0.378SS*.  trans-60.9137.2165.6-69.4174.8000108.6H130 M179L128-H130 PolarHBondContact O-N 2.78Å; L128-M179 HydrophobicContact CB-SD 4.32Å; L128-M179 HydrophobicContact CD2-SD 3.46Å; L128-M179 WeakPolarHBondContact CD2-SD 3.23Å; L128-M179 HydrophobicContact CG-CE 4.37Å; L128-M179 HydrophobicContact CG-SD 3.58Å; L128-M179 VanDerWaalsContact CG-SD 3.58Å; L128-M179 PolarHBondContact N-SD 3.21Å; L128-M179 VanDerWaalsContact N-SD 3.36Å
129F96.6Very high96.7Very high118 Ų11875.2 Ų75.252%0.51838%0.378SS..  trans-69.1122.7177.8176.1-101.3000110N127 I133 V136 A181N127-F129 PolarHBondContact O-N 3.39Å; F129-I133 HydrophobicContact CZ-CD1 4.22Å; F129-V136 HydrophobicContact CD2-CG2 4.4Å; F129-V136 HydrophobicContact CE2-CG2 3.69Å; F129-V136 HydrophobicContact CZ-CG2 4.46Å; F129-A181 HydrophobicContact CB-CB 4.42Å
130H95.2Very high96.7Very high169 Ų16977 Ų7778%0.78239%0.386SS*.  trans-146.499.2174.3-171.871.7000109.8L128 D132L128-H130 PolarHBondContact O-N 2.78Å; H130-D132 PolarHBondContact O-N 3.03Å
131D91.8Very high96.7Very high133 Ų13379.6 Ų79.671%0.71140%0.398SS*.SBendtrans50.818.1173-152.125000117.8I133D131-I133 VanDerWaalsContact C-N 3.27Å; D131-I133 PolarHBondContact O-N 2.83Å
132D95.5Very high96.7Very high79 Ų7976.6 Ų76.642%0.42238%0.383SS..  trans-86.364.8177.3-165.1-9.4000111.9H130 H134 H135 V136H130-D132 PolarHBondContact O-N 3.03Å; D132-H134 PolarHBondContact O-N 3.2Å; D132-H135 HydrophobicContact CB-CB 4.25Å; D132-H135 PolarHBondContact O-N 3.48Å; D132-H135 VanDerWaalsContact OD1-CB 3.29Å; D132-H135 WeakPolarHBondContact OD1-CB 3.48Å; D132-H135 PolarHBondContact OD1-N 3.28Å; D132-H135 WeakPolarHBondContact OD2-CB 3.35Å; D132-V136 PolarHBondContact O-N 2.83Å
133I97.4Very high96.7Very high85 Ų8576 Ų7644%0.43638%0.38SS..Hα-helixtrans-61.9-30.1176.7-60.2-60.1000111.5F129 D131 V136 R137F129-I133 HydrophobicContact CZ-CD1 4.22Å; D131-I133 VanDerWaalsContact C-N 3.27Å; D131-I133 PolarHBondContact O-N 2.83Å; I133-V136 PolarHBondContact O-N 3Å; I133-R137 PolarHBondContact O-N 2.85Å
134H97.8Very high96.9Very high126 Ų12673 Ų7358%0.58336%0.362SS*.Hα-helixtrans-61.7-48.1176.2179.573.5000111.1D132 V136 R137 K138D132-H134 PolarHBondContact O-N 3.2Å; H134-V136 VanDerWaalsContact C-N 3.34Å; H134-V136 PolarHBondContact O-N 3.03Å; H134-R137 PolarHBondContact O-N 3.09Å; H134-K138 VanDerWaalsContact O-CB 3.32Å; H134-K138 WeakPolarHBondContact O-CB 3.24Å; H134-K138 PolarHBondContact O-N 2.98Å
135H97.7Very high97.1Very high43 Ų4375 Ų7520%0.19937%0.371CS..Hα-helixtrans-64.9-35.9176.9-17763.9000112.7N123 D132 S139N123-H135 PolarHBondContact O-CE1 3.05Å; D132-H135 HydrophobicContact CB-CB 4.25Å; D132-H135 PolarHBondContact O-N 3.48Å; D132-H135 VanDerWaalsContact OD1-CB 3.29Å; D132-H135 WeakPolarHBondContact OD1-CB 3.48Å; D132-H135 PolarHBondContact OD1-N 3.28Å; D132-H135 WeakPolarHBondContact OD2-CB 3.35Å; H135-S139 VanDerWaalsContact O-CB 3.24Å; H135-S139 WeakPolarHBondContact O-CB 3.23Å; H135-S139 PolarHBondContact O-N 2.82Å; H135-S139 PolarHBondContact O-OG 2.91Å
136V98.4Very high97.3Very high45 Ų4571.7 Ų71.727%0.27335%0.348SS..Hα-helixtrans-60.3-52173.41760000110.8F129 D132 I133 H134 S139 M140 A182F129-V136 HydrophobicContact CD2-CG2 4.4Å; F129-V136 HydrophobicContact CE2-CG2 3.69Å; F129-V136 HydrophobicContact CZ-CG2 4.46Å; D132-V136 PolarHBondContact O-N 2.83Å; I133-V136 PolarHBondContact O-N 3Å; H134-V136 VanDerWaalsContact C-N 3.34Å; H134-V136 PolarHBondContact O-N 3.03Å; V136-S139 PolarHBondContact O-N 2.9Å; V136-M140 WeakPolarHBondContact O-CG 3.32Å; V136-M140 PolarHBondContact O-N 3.25Å; V136-A182 HydrophobicContact CB-CB 4.45Å; V136-A182 HydrophobicContact CG2-CB 3.93Å
137R98.5Very high97.5Very high144 Ų14470.4 Ų70.454%0.54334%0.341SS..Hα-helixtrans-60.6-49.4179.1-176.4179.3-62124.83.9111.5I133 H134 S139 M140 E141I133-R137 PolarHBondContact O-N 2.85Å; H134-R137 PolarHBondContact O-N 3.09Å; R137-S139 VanDerWaalsContact C-N 3.28Å; R137-S139 PolarHBondContact O-N 3.16Å; R137-M140 PolarHBondContact O-N 2.86Å; R137-M140 VanDerWaalsContact O-N 3.08Å; R137-E141 WeakPolarHBondContact CD-OE1 3.31Å; R137-E141 HydrophobicContact CG-CG 4.41Å; R137-E141 VanDerWaalsContact CG-OE1 3.28Å; R137-E141 WeakPolarHBondContact CG-OE1 3.28Å; R137-E141 WeakPolarHBondContact O-CG 3.13Å; R137-E141 PolarHBondContact O-N 3.34Å
138K98.5Very high97.7Very high49 Ų4966.6 Ų66.621%0.21332%0.321CS..Hα-helixtrans-60.2-37.2179-176.7169.1177.6136.80112.3E94 T122 H134 V142E94-K138 WeakPolarHBondContact OE1-CE 3.36Å; E94-K138 IonicContact OE1-NZ 2.75Å; E94-K138 PolarHBondContact OE1-NZ 2.66Å; E94-K138 IonicContact OE2-NZ 3.55Å; E94-K138 PolarHBondContact OE2-NZ 3.42Å; T122-K138 VanDerWaalsContact OG1-CE 3.25Å; T122-K138 WeakPolarHBondContact OG1-CE 3.25Å; H134-K138 VanDerWaalsContact O-CB 3.32Å; H134-K138 WeakPolarHBondContact O-CB 3.24Å; H134-K138 PolarHBondContact O-N 2.98Å; K138-V142 HydrophobicContact CG-CG2 4.31Å; K138-V142 WeakPolarHBondContact O-CB 3.41Å; K138-V142 WeakPolarHBondContact O-CG2 3.25Å; K138-V142 PolarHBondContact O-N 3.09Å
139S98.6Very high97.8Very high0 Ų061.8 Ų61.80%030%0.298CS..Hα-helixtrans-65.3-41.9174.5-63.50000111.8H135 V136 R137 N143H135-S139 VanDerWaalsContact O-CB 3.24Å; H135-S139 WeakPolarHBondContact O-CB 3.23Å; H135-S139 PolarHBondContact O-N 2.82Å; H135-S139 PolarHBondContact O-OG 2.91Å; V136-S139 PolarHBondContact O-N 2.9Å; R137-S139 VanDerWaalsContact C-N 3.28Å; R137-S139 PolarHBondContact O-N 3.16Å; S139-N143 WeakPolarHBondContact O-CA 3.19Å; S139-N143 WeakPolarHBondContact O-CB 3.34Å; S139-N143 VanDerWaalsContact O-CG 3.23Å; S139-N143 PolarHBondContact O-N 3.18Å
140M98.8Very high97.9Very high59 Ų5956.2 Ų56.229%0.29127%0.273SS..Hα-helixtrans-67.9-39.2176-68.5-54.4-63.200112.6V136 R137 F144 L145 S186 A189V136-M140 WeakPolarHBondContact O-CG 3.32Å; V136-M140 PolarHBondContact O-N 3.25Å; R137-M140 PolarHBondContact O-N 2.86Å; R137-M140 VanDerWaalsContact O-N 3.08Å; M140-F144 HydrophobicContact CE-CB 4.28Å; M140-F144 HydrophobicContact CE-CD1 3.83Å; M140-F144 HydrophobicContact CE-CG 4.17Å; M140-F144 WeakPolarHBondContact O-CB 3.32Å; M140-F144 PolarHBondContact O-N 3.26Å; M140-L145 PolarHBondContact O-N 3.14Å; M140-S186 VanDerWaalsContact SD-CA 3.55Å; M140-A189 HydrophobicContact CE-CB 3.8Å
141E98.7Very high98.1Very high70 Ų7048.3 Ų48.333%0.32724%0.237SC..Iπ-helixtrans-65.3-54.4177.1-73.4170.9-174.400111.3M96 R137 L145 S146M96-E141 HydrophobicContact CE-CB 4.29Å; M96-E141 WeakPolarHBondContact CE-O 3.45Å; R137-E141 WeakPolarHBondContact CD-OE1 3.31Å; R137-E141 HydrophobicContact CG-CG 4.41Å; R137-E141 VanDerWaalsContact CG-OE1 3.28Å; R137-E141 WeakPolarHBondContact CG-OE1 3.28Å; R137-E141 WeakPolarHBondContact O-CG 3.13Å; R137-E141 PolarHBondContact O-N 3.34Å; E141-L145 PolarHBondContact O-N 3.29Å; E141-S146 PolarHBondContact O-N 2.69Å
142V98.8Very high98.4Very high8 Ų846.8 Ų46.85%0.04823%0.232CC..Iπ-helixtrans-78.6-39.3-172.8178.90000113.2M93 E94 H120 K138 S146M93-V142 HydrophobicContact CB-CG1 4.41Å; E94-V142 HydrophobicContact CB-CG2 4.26Å; E94-V142 HydrophobicContact CG-CG2 3.28Å; H120-V142 PolarHBondContact CD2-O 3.4Å; H120-V142 PolarHBondContact NE2-O 3.46Å; K138-V142 HydrophobicContact CG-CG2 4.31Å; K138-V142 WeakPolarHBondContact O-CB 3.41Å; K138-V142 WeakPolarHBondContact O-CG2 3.25Å; K138-V142 PolarHBondContact O-N 3.09Å; V142-S146 PolarHBondContact O-OG 2.92Å
143N98.8Very high98.6Very high0 Ų044.4 Ų44.40%022%0.223CC..Iπ-helixtrans-91.8-14.6-172.2-50.8-12.7000112.5I121 T122 S139 S186I121-N143 VanDerWaalsContact CA-OD1 3.25Å; I121-N143 WeakPolarHBondContact CA-OD1 3.33Å; T122-N143 PolarHBondContact N-OD1 2.96Å; S139-N143 WeakPolarHBondContact O-CA 3.19Å; S139-N143 WeakPolarHBondContact O-CB 3.34Å; S139-N143 VanDerWaalsContact O-CG 3.23Å; S139-N143 PolarHBondContact O-N 3.18Å; N143-S186 WeakPolarHBondContact CB-OG 3.37Å; N143-S186 PolarHBondContact ND2-OG 3Å; N143-S186 VanDerWaalsContact ND2-OG 3.08Å
144F98.9Very high98.7Very high37 Ų3740.3 Ų40.316%0.16220%0.202CC..Iπ-helixtrans-129.7-59.6-175.1170.1-103.3000112.9M140 S146 Y147 V148 A189 L190 F193M140-F144 HydrophobicContact CE-CB 4.28Å; M140-F144 HydrophobicContact CE-CD1 3.83Å; M140-F144 HydrophobicContact CE-CG 4.17Å; M140-F144 WeakPolarHBondContact O-CB 3.32Å; M140-F144 PolarHBondContact O-N 3.26Å; F144-S146 PolarHBondContact O-N 2.69Å; F144-Y147 VanDerWaalsContact O-CB 3.31Å; F144-Y147 WeakPolarHBondContact O-CB 3.38Å; F144-Y147 PolarHBondContact O-N 3.04Å; F144-Y147 VanDerWaalsContact O-N 3.09Å; F144-V148 HydrophobicContact CE1-CG2 4.44Å; F144-V148 HydrophobicContact CE2-CG2 4.1Å; F144-V148 HydrophobicContact CZ-CG2 4.01Å; F144-V148 PolarHBondContact O-N 3.32Å; F144-A189 HydrophobicContact CB-CB 4.49Å; F144-A189 HydrophobicContact CD1-CB 4.35Å; F144-A189 HydrophobicContact CD2-CB 3.62Å; F144-A189 HydrophobicContact CE2-CB 3.87Å; F144-A189 WeakPolarHBondContact CE2-O 3.25Å; F144-A189 HydrophobicContact CG-CB 3.89Å; F144-A189 HydrophobicContact CZ-CB 4.34Å; F144-L190 HydrophobicContact CD2-CD2 3.94Å; F144-L190 HydrophobicContact CD2-CG 4.29Å; F144-F193 HydrophobicContact CE2-CB 3.62Å; F144-F193 HydrophobicContact CE2-CG 4.06Å; F144-F193 HydrophobicContact CZ-CB 4.06Å; F144-F193 HydrophobicContact CZ-CD2 4.3Å; F144-F193 HydrophobicContact CZ-CG 4.25Å
145L98.8Very high98.7Very high76 Ų7635.8 Ų35.840%0.39818%0.182SC..Iπ-helixtrans-65.5-42-172.3-170.862.3000112.1M96 M140 E141 Y147 V148 V149M96-L145 HydrophobicContact CE-CB 4.42Å; M96-L145 HydrophobicContact SD-CD2 4.43Å; M96-L145 HydrophobicContact SD-CG 4.18Å; M140-L145 PolarHBondContact O-N 3.14Å; E141-L145 PolarHBondContact O-N 3.29Å; L145-Y147 PolarHBondContact O-N 2.93Å; L145-V148 WeakPolarHBondContact O-CB 3.33Å; L145-V148 PolarHBondContact O-N 3.05Å; L145-V148 VanDerWaalsContact O-N 3.08Å; L145-V149 WeakPolarHBondContact O-CG2 3.23Å; L145-V149 PolarHBondContact O-N 3.47Å
146S98.9Very high98.7Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-58.2-35.817469.70000112.1M93 H120 E141 V142 F144 V148 V149 L150M93-S146 WeakPolarHBondContact O-CB 3.36Å; H120-S146 PolarHBondContact NE2-OG 3.49Å; E141-S146 PolarHBondContact O-N 2.69Å; V142-S146 PolarHBondContact O-OG 2.92Å; F144-S146 PolarHBondContact O-N 2.69Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 2.56Å; S146-V149 PolarHBondContact O-N 3.18Å; S146-L150 WeakPolarHBondContact O-CB 3.47Å; S146-L150 WeakPolarHBondContact O-CD1 3.22Å; S146-L150 WeakPolarHBondContact O-CG 3.29Å; S146-L150 PolarHBondContact O-N 3.49Å
147Y98.9Very high98.8Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-65.7-38.3177.5-8041.2000110.9L118 N119 H120 F144 L145 T151 V167 L190 F194L118-Y147 HydrophobicContact CB-CD1 4.38Å; L118-Y147 HydrophobicContact CB-CD2 3.39Å; L118-Y147 HydrophobicContact CB-CE1 4.33Å; L118-Y147 HydrophobicContact CB-CE2 3.32Å; L118-Y147 HydrophobicContact CB-CG 3.94Å; L118-Y147 HydrophobicContact CD1-CD2 3.78Å; L118-Y147 HydrophobicContact CD1-CG 3.96Å; L118-Y147 HydrophobicContact CG-CD2 4.16Å; L118-Y147 HydrophobicContact CG-CG 4.41Å; L118-Y147 VanDerWaalsContact O-CE2 3.22Å; L118-Y147 WeakPolarHBondContact O-CE2 3.45Å; L118-Y147 PolarHBondContact O-OH 2.87Å; L118-Y147 VanDerWaalsContact O-OH 3.06Å; N119-Y147 VanDerWaalsContact CA-OH 3.23Å; N119-Y147 WeakPolarHBondContact CA-OH 3.28Å; N119-Y147 PolarHBondContact N-OH 3.39Å; N119-Y147 VanDerWaalsContact N-OH 3.16Å; H120-Y147 AromaticContact CD2-CE1 3.94Å; H120-Y147 AromaticContact CE1-CD1 3.49Å; H120-Y147 VanDerWaalsContact CE1-CD1 3.49Å; H120-Y147 WeakPolarHBondContact CE1-CD1 3.49Å; H120-Y147 AromaticContact CE1-CE1 3.25Å; H120-Y147 WeakPolarHBondContact CE1-CE1 3.27Å; H120-Y147 PolarHBondContact N-OH 2.98Å; H120-Y147 AromaticContact ND1-CE1 3.58Å; H120-Y147 AromaticContact NE2-CD1 3.73Å; H120-Y147 AromaticContact NE2-CE1 3.5Å; H120-Y147 WeakPolarHBondContact NE2-CE1 3.21Å; H120-Y147 WeakPolarHBondContact O-CE1 3.39Å; H120-Y147 PolarHBondContact O-OH 3.41Å; F144-Y147 VanDerWaalsContact O-CB 3.31Å; F144-Y147 WeakPolarHBondContact O-CB 3.38Å; F144-Y147 PolarHBondContact O-N 3.04Å; F144-Y147 VanDerWaalsContact O-N 3.09Å; L145-Y147 PolarHBondContact O-N 2.93Å; Y147-T151 VanDerWaalsContact O-CB 3.31Å; Y147-T151 WeakPolarHBondContact O-CB 3.22Å; Y147-T151 PolarHBondContact O-N 3.24Å; Y147-T151 PolarHBondContact O-OG1 2.81Å; Y147-V167 HydrophobicContact CD2-CG1 4.04Å; Y147-V167 HydrophobicContact CE2-CG1 4.09Å; Y147-L190 HydrophobicContact CD2-CD1 4.14Å; Y147-L190 HydrophobicContact CD2-CD2 3.42Å; Y147-L190 VanDerWaalsContact CD2-CD2 3.42Å; Y147-L190 HydrophobicContact CD2-CG 4.46Å; Y147-L190 HydrophobicContact CE2-CD1 3.99Å; Y147-L190 HydrophobicContact CE2-CD2 4.12Å; Y147-L190 HydrophobicContact CG-CD2 3.91Å; Y147-F194 HydrophobicContact CD2-CE2 4.43Å
148V98.9Very high98.8Very high22 Ų2230.6 Ų30.613%0.13317%0.169CC..Hα-helixtrans-64.3-48.5173.8179.10000110.1F144 L145 S146 L150 T151 V152 F193F144-V148 HydrophobicContact CE1-CG2 4.44Å; F144-V148 HydrophobicContact CE2-CG2 4.1Å; F144-V148 HydrophobicContact CZ-CG2 4.01Å; F144-V148 PolarHBondContact O-N 3.32Å; L145-V148 WeakPolarHBondContact O-CB 3.33Å; L145-V148 PolarHBondContact O-N 3.05Å; L145-V148 VanDerWaalsContact O-N 3.08Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 2.56Å; V148-L150 PolarHBondContact O-N 3.04Å; V148-T151 WeakPolarHBondContact O-CB 3.33Å; V148-T151 PolarHBondContact O-N 2.82Å; V148-T151 VanDerWaalsContact O-N 3.15Å; V148-V152 WeakPolarHBondContact O-CG2 3.29Å; V148-V152 PolarHBondContact O-N 2.75Å; V148-F193 HydrophobicContact CB-CE1 4.32Å; V148-F193 HydrophobicContact CB-CZ 4.27Å; V148-F193 HydrophobicContact CG1-CE1 4.06Å; V148-F193 HydrophobicContact CG1-CE2 4.14Å; V148-F193 HydrophobicContact CG1-CZ 3.57Å; V148-F193 HydrophobicContact CG2-CD1 3.9Å; V148-F193 HydrophobicContact CG2-CD2 4.33Å; V148-F193 HydrophobicContact CG2-CE1 3.68Å; V148-F193 HydrophobicContact CG2-CE2 4.14Å; V148-F193 HydrophobicContact CG2-CG 4.22Å; V148-F193 HydrophobicContact CG2-CZ 3.82Å
149V98.8Very high98.8Very high35 Ų3533 Ų3321%0.21218%0.18CC..Hα-helixtrans-60.2-47.4179.3174.90000111.6M96 A99 E100 L145 S146 T151 V152 A153M96-V149 HydrophobicContact CB-CG2 4.32Å; M96-V149 HydrophobicContact CG-CG2 4.37Å; M96-V149 HydrophobicContact SD-CB 4.36Å; M96-V149 HydrophobicContact SD-CG2 3.78Å; A99-V149 HydrophobicContact CB-CB 4.47Å; A99-V149 HydrophobicContact CB-CG1 3.99Å; E100-V149 HydrophobicContact CB-CG1 4.15Å; L145-V149 WeakPolarHBondContact O-CG2 3.23Å; L145-V149 PolarHBondContact O-N 3.47Å; S146-V149 PolarHBondContact O-N 3.18Å; V149-T151 VanDerWaalsContact C-N 3.28Å; V149-T151 PolarHBondContact O-N 3.38Å; V149-V152 PolarHBondContact O-N 3.07Å; V149-A153 PolarHBondContact O-N 3.46Å
150L98.9Very high98.8Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-59.2-40.2175.7-69.5166.4000111.8T40 M93 A99 F102 V103 L116 L118 S146 V148 A154T40-L150 HydrophobicContact CG2-CD1 4.11Å; M93-L150 HydrophobicContact CE-CD1 4.11Å; M93-L150 HydrophobicContact CE-CD2 4.2Å; M93-L150 HydrophobicContact SD-CD1 4Å; M93-L150 HydrophobicContact SD-CD2 4.34Å; A99-L150 HydrophobicContact CB-CD2 4.01Å; A99-L150 HydrophobicContact CB-CG 4.14Å; A99-L150 VanDerWaalsContact O-CD2 3.29Å; A99-L150 WeakPolarHBondContact O-CD2 3.45Å; F102-L150 HydrophobicContact CD1-CD2 3.74Å; F102-L150 HydrophobicContact CE1-CD2 4.3Å; V103-L150 HydrophobicContact CG2-CB 4.39Å; V103-L150 HydrophobicContact CG2-CD2 3.48Å; V103-L150 VanDerWaalsContact CG2-CD2 3.48Å; L116-L150 HydrophobicContact CD2-CB 4.45Å; L118-L150 HydrophobicContact CD2-CB 3.86Å; L118-L150 HydrophobicContact CD2-CD1 3.53Å; L118-L150 HydrophobicContact CD2-CG 4.33Å; S146-L150 WeakPolarHBondContact O-CB 3.47Å; S146-L150 WeakPolarHBondContact O-CD1 3.22Å; S146-L150 WeakPolarHBondContact O-CG 3.29Å; S146-L150 PolarHBondContact O-N 3.49Å; V148-L150 PolarHBondContact O-N 3.04Å; L150-A154 WeakPolarHBondContact O-CB 3.18Å; L150-A154 PolarHBondContact O-N 2.84Å
151T98.9Very high98.7Very high4 Ų439.9 Ų39.93%0.02522%0.215CC..Hα-helixtrans-64.3-47.2177.7-64.90000111.5Y147 V148 V149 A153 A154 L155 I165 F194 I197Y147-T151 VanDerWaalsContact O-CB 3.31Å; Y147-T151 WeakPolarHBondContact O-CB 3.22Å; Y147-T151 PolarHBondContact O-N 3.24Å; Y147-T151 PolarHBondContact O-OG1 2.81Å; V148-T151 WeakPolarHBondContact O-CB 3.33Å; V148-T151 PolarHBondContact O-N 2.82Å; V148-T151 VanDerWaalsContact O-N 3.15Å; V149-T151 VanDerWaalsContact C-N 3.28Å; V149-T151 PolarHBondContact O-N 3.38Å; T151-A153 VanDerWaalsContact C-N 3.35Å; T151-A153 PolarHBondContact O-N 2.75Å; T151-A154 PolarHBondContact O-N 2.82Å; T151-L155 WeakPolarHBondContact O-CB 3.25Å; T151-L155 PolarHBondContact O-N 3.5Å; T151-I165 HydrophobicContact CG2-CD1 3.68Å; T151-F194 HydrophobicContact CG2-CE1 4.25Å; T151-F194 WeakPolarHBondContact OG1-CE1 3.48Å; T151-F194 WeakPolarHBondContact OG1-CZ 3.41Å; T151-I197 HydrophobicContact CG2-CD1 4.33Å
152V98.8Very high98.7Very high101 Ų10140.5 Ų40.561%0.61222%0.221SC*.Hα-helixtrans-59-47.2177.6172.10000110.6V148 V149 A154 L155V148-V152 WeakPolarHBondContact O-CG2 3.29Å; V148-V152 PolarHBondContact O-N 2.75Å; V149-V152 PolarHBondContact O-N 3.07Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.33Å; V152-L155 PolarHBondContact O-N 2.83Å
153A98.8Very high98.7Very high28 Ų2840.3 Ų40.323%0.23122%0.22CC..Hα-helixtrans-65.5-33.9179.700000113.1E100 V103 V149 T151E100-A153 HydrophobicContact CG-CB 4.38Å; V103-A153 HydrophobicContact CB-CB 3.84Å; V103-A153 HydrophobicContact CG1-CB 4.01Å; V103-A153 HydrophobicContact CG2-CB 4.19Å; V149-A153 PolarHBondContact O-N 3.46Å; T151-A153 VanDerWaalsContact C-N 3.35Å; T151-A153 PolarHBondContact O-N 2.75Å
154A98.8Very high98.7Very high0 Ų040.7 Ų40.70%022%0.223CC..Hα-helixtrans-83.1-25.4-177.800000113.7V103 L113 L116 L150 T151 V152 P156 M157 L158V103-A154 HydrophobicContact CG1-CB 3.81Å; L113-A154 HydrophobicContact CD2-CB 3.75Å; L116-A154 HydrophobicContact CD2-CB 3.68Å; L150-A154 WeakPolarHBondContact O-CB 3.18Å; L150-A154 PolarHBondContact O-N 2.84Å; T151-A154 PolarHBondContact O-N 2.82Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.33Å; A154-P156 VanDerWaalsContact C-CD 3.46Å; A154-M157 PolarHBondContact O-N 3.37Å; A154-M157 VanDerWaalsContact O-N 3.1Å; A154-L158 HydrophobicContact CB-CD1 3.86Å; A154-L158 HydrophobicContact CB-CG 4.32Å; A154-L158 WeakPolarHBondContact O-CG 3.5Å; A154-L158 PolarHBondContact O-N 3.06Å
155L98.7Very high98.7Very high30 Ų3038.9 Ų38.916%0.15722%0.215CC..Hα-helixtrans-55.3-40.2-169.1-172.160.6000114.2T151 V152 M157 L158 K159 Y201 V206 V208T151-L155 WeakPolarHBondContact O-CB 3.25Å; T151-L155 PolarHBondContact O-N 3.5Å; V152-L155 PolarHBondContact O-N 2.83Å; L155-M157 PolarHBondContact O-N 3.11Å; L155-L158 PolarHBondContact O-N 3.27Å; L155-K159 HydrophobicContact CD1-CD 4.5Å; L155-K159 HydrophobicContact CD1-CG 4.15Å; L155-K159 HydrophobicContact CG-CD 4.17Å; L155-K159 HydrophobicContact CG-CG 4.28Å; L155-K159 WeakPolarHBondContact O-CB 3.49Å; L155-K159 WeakPolarHBondContact O-CG 3.48Å; L155-K159 PolarHBondContact O-N 3.39Å; L155-Y201 HydrophobicContact CD1-CE1 4.47Å; L155-Y201 HydrophobicContact CD1-CE2 3.99Å; L155-Y201 WeakPolarHBondContact CD1-OH 3.48Å; L155-Y201 HydrophobicContact CD2-CE1 4.31Å; L155-Y201 VanDerWaalsContact CD2-OH 3.3Å; L155-Y201 WeakPolarHBondContact CD2-OH 3.47Å; L155-V206 HydrophobicContact CD1-CG1 4.49Å; L155-V208 HydrophobicContact CD1-CG2 4.19Å
156P98.6Very high98.7Very high88 Ų8835.3 Ų35.357%0.57120%0.196SC*.Hα-helixtrans-58.7-44.3176.6-25.936000113.3A154 Q160A154-P156 VanDerWaalsContact C-CD 3.46Å; P156-Q160 PolarHBondContact O-N 3.32Å
157M98.7Very high98.7Very high36 Ų3635.3 Ų35.318%0.17720%0.196CC..Hα-helixtrans-70.7-39.9178.6-67.6-175-7800111.9V103 G107 L113 A154 L155 K159 Q160 S161V103-M157 HydrophobicContact CG1-CE 3.7Å; G107-M157 VanDerWaalsContact CA-SD 3.54Å; L113-M157 HydrophobicContact CB-CB 3.83Å; L113-M157 HydrophobicContact CB-CE 4.31Å; L113-M157 HydrophobicContact CB-SD 4.17Å; L113-M157 HydrophobicContact CD2-CE 4.41Å; A154-M157 PolarHBondContact O-N 3.37Å; A154-M157 VanDerWaalsContact O-N 3.1Å; L155-M157 PolarHBondContact O-N 3.11Å; M157-K159 VanDerWaalsContact C-N 3.34Å; M157-K159 PolarHBondContact O-N 3Å; M157-Q160 WeakPolarHBondContact O-CB 3.4Å; M157-Q160 PolarHBondContact O-N 2.69Å; M157-S161 PolarHBondContact O-N 3.12Å; M157-S161 VanDerWaalsContact O-N 3.12Å; M157-S161 PolarHBondContact O-OG 2.88Å
158L98.8Very high98.7Very high0 Ų035.7 Ų35.70%020%0.199CC..Hα-helixtrans-66.1-36.2177.2-66.9172.7000111.9L113 L116 A154 L155 Q160 S161 N162 G163 I165 V208L113-L158 HydrophobicContact CB-CD2 4.48Å; L113-L158 HydrophobicContact CD2-CD2 4.02Å; L113-L158 HydrophobicContact CD2-CG 4.14Å; L113-L158 HydrophobicContact CG-CD2 3.94Å; L116-L158 HydrophobicContact CB-CD1 4.22Å; A154-L158 HydrophobicContact CB-CD1 3.86Å; A154-L158 HydrophobicContact CB-CG 4.32Å; A154-L158 WeakPolarHBondContact O-CG 3.5Å; A154-L158 PolarHBondContact O-N 3.06Å; L155-L158 PolarHBondContact O-N 3.27Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.32Å; L158-S161 PolarHBondContact O-N 3.08Å; L158-S161 PolarHBondContact O-OG 2.97Å; L158-N162 CarbonylContact O-C 3.56Å; L158-N162 WeakPolarHBondContact O-CA 3.42Å; L158-N162 PolarHBondContact O-N 3.28Å; L158-G163 PolarHBondContact O-N 2.72Å; L158-I165 HydrophobicContact CD1-CD1 4.09Å; L158-I165 HydrophobicContact CD1-CG1 3.57Å; L158-V208 HydrophobicContact CB-CG1 4.1Å; L158-V208 HydrophobicContact CB-CG2 3.91Å; L158-V208 HydrophobicContact CD1-CG1 4.31Å
159K98.5Very high98.7Very high100 Ų10034.8 Ų34.844%0.43519%0.193SC..Hα-helixtrans-61.7-38.9172.2-80179.1174.9-174.70111.7L155 M157 V206 V208L155-K159 HydrophobicContact CD1-CD 4.5Å; L155-K159 HydrophobicContact CD1-CG 4.15Å; L155-K159 HydrophobicContact CG-CD 4.17Å; L155-K159 HydrophobicContact CG-CG 4.28Å; L155-K159 WeakPolarHBondContact O-CB 3.49Å; L155-K159 WeakPolarHBondContact O-CG 3.48Å; L155-K159 PolarHBondContact O-N 3.39Å; M157-K159 VanDerWaalsContact C-N 3.34Å; M157-K159 PolarHBondContact O-N 3Å; K159-V206 HydrophobicContact CD-CG1 4.42Å; K159-V206 HydrophobicContact CG-CG1 3.99Å; K159-V208 HydrophobicContact CG-CG2 4.13Å
160Q98.4Very high98.7Very high168 Ų16834 Ų3479%0.78519%0.189SC*.Hα-helixtrans-67.4-36.8178.2-1721799.900112.6P156 M157 L158P156-Q160 PolarHBondContact O-N 3.32Å; M157-Q160 WeakPolarHBondContact O-CB 3.4Å; M157-Q160 PolarHBondContact O-N 2.69Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.32Å
161S98.4Very high98.7Very high35 Ų3534.7 Ų34.725%0.24519%0.193CC..Hα-helixtrans-91.4-4.3-17960.70000114.4L113 M157 L158 G163L113-S161 WeakPolarHBondContact O-CB 3.31Å; L113-S161 PolarHBondContact O-OG 2.92Å; M157-S161 PolarHBondContact O-N 3.12Å; M157-S161 VanDerWaalsContact O-N 3.12Å; M157-S161 PolarHBondContact O-OG 2.88Å; L158-S161 PolarHBondContact O-N 3.08Å; L158-S161 PolarHBondContact O-OG 2.97Å; S161-G163 PolarHBondContact O-N 2.92Å; S161-G163 PolarHBondContact OG-N 3.05Å
162N98.6Very high98.6Very high82 Ų8234.8 Ų34.844%0.43919%0.194SC..THydrogen-bonded Turntrans52.238.7-163.8-60.4-45.6000112.5L158 N207 R252L158-N162 CarbonylContact O-C 3.56Å; L158-N162 WeakPolarHBondContact O-CA 3.42Å; L158-N162 PolarHBondContact O-N 3.28Å; N162-N207 CarbonylContact C-O 3.56Å; N162-N207 VanDerWaalsContact C-O 3.24Å; N162-N207 WeakPolarHBondContact CA-O 3.42Å; N162-N207 HydrophobicContact CB-CB 4.34Å; N162-N207 WeakPolarHBondContact CB-ND2 3.42Å; N162-N207 WeakPolarHBondContact OD1-CB 3.35Å; N162-N207 PolarHBondContact OD1-ND2 2.91Å; N162-R252 PolarHBondContact O-NH1 2.99Å; N162-R252 PolarHBondContact O-NH2 3.32Å
163G98.6Very high98.6Very high4 Ų430 Ų304%0.04117%0.165CC..  trans-70.2-168.1-167.300000115.8D114 L158 S161 V208 S209 R252D114-G163 CarbonylContact O-C 3.15Å; D114-G163 WeakPolarHBondContact O-CA 3.44Å; L158-G163 PolarHBondContact O-N 2.72Å; S161-G163 PolarHBondContact O-N 2.92Å; S161-G163 PolarHBondContact OG-N 3.05Å; G163-V208 WeakPolarHBondContact O-CA 3.34Å; G163-S209 PolarHBondContact O-N 3.05Å; G163-S209 VanDerWaalsContact O-N 3.08Å; G163-R252 PolarHBondContact O-NH1 3.29Å
164S98.9Very high98.5Very high8 Ų830.4 Ų30.46%0.05616%0.162CC..EExtended strand (participates in β ladder)trans-128.3140.9-176.6-57.60000111.7D114 M115 L116 S209 G249 R252D114-S164 PolarHBondContact O-N 3.36Å; M115-S164 CarbonylContact C-O 3.24Å; M115-S164 VanDerWaalsContact CA-O 3.29Å; M115-S164 WeakPolarHBondContact CA-O 3.1Å; L116-S164 PolarHBondContact N-O 3.16Å; S164-S209 WeakPolarHBondContact CA-OG 3.34Å; S164-S209 VanDerWaalsContact CB-OG 3.25Å; S164-S209 WeakPolarHBondContact CB-OG 3.49Å; S164-S209 PolarHBondContact OG-OG 2.76Å; S164-G249 PolarHBondContact OG-O 2.84Å; S164-R252 PolarHBondContact OG-NH1 3.3Å
165I98.9Very high98.5Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-106.9127.1166.4-56.5169.7000107.8L118 T151 L158 V167 F194 V208 S209 I210 T211L118-I165 HydrophobicContact CD1-CG2 4.08Å; T151-I165 HydrophobicContact CG2-CD1 3.68Å; L158-I165 HydrophobicContact CD1-CD1 4.09Å; L158-I165 HydrophobicContact CD1-CG1 3.57Å; I165-V167 HydrophobicContact CG2-CG2 3.96Å; I165-F194 HydrophobicContact CG2-CE1 4.1Å; I165-V208 HydrophobicContact CD1-CG1 4Å; I165-V208 HydrophobicContact CG1-CG1 3.95Å; I165-S209 PolarHBondContact N-O 3.07Å; I165-I210 HydrophobicContact CB-CG1 4.35Å; I165-I210 HydrophobicContact CD1-CG1 4.33Å; I165-I210 CarbonylContact O-C 3.56Å; I165-I210 WeakPolarHBondContact O-CA 3.43Å; I165-T211 PolarHBondContact O-N 3.46Å
166V98.9Very high98.4Very high0 Ų036 Ų360%021%0.206CC..EExtended strand (participates in β ladder)trans-115.2118.7177.5-176.40000108.6M115 L116 I117 L118 T211 I245M115-V166 HydrophobicContact CG-CG2 4.08Å; M115-V166 HydrophobicContact SD-CG2 3.94Å; L116-V166 PolarHBondContact O-N 3.01Å; I117-V166 HydrophobicContact CB-CB 4.47Å; I117-V166 HydrophobicContact CG1-CB 4.18Å; I117-V166 HydrophobicContact CG1-CG2 4.38Å; I117-V166 HydrophobicContact CG2-CB 4.32Å; I117-V166 HydrophobicContact CG2-CG1 4.36Å; L118-V166 PolarHBondContact N-O 3.09Å; V166-T211 WeakPolarHBondContact CA-O 3.37Å; V166-I245 HydrophobicContact CG1-CG2 3.54Å
167V98.9Very high98.4Very high0 Ų036.9 Ų36.90%020%0.199CC..EExtended strand (participates in β ladder)trans-111.4108.1-174.5-177.20000109L118 Y147 I165 S169 L190 F194 I210 T211 L212 C213L118-V167 HydrophobicContact CD1-CG2 4.44Å; Y147-V167 HydrophobicContact CD2-CG1 4.04Å; Y147-V167 HydrophobicContact CE2-CG1 4.09Å; I165-V167 HydrophobicContact CG2-CG2 3.96Å; V167-S169 PolarHBondContact O-N 2.87Å; V167-L190 HydrophobicContact CG1-CB 4.18Å; V167-L190 HydrophobicContact CG1-CD1 3.96Å; V167-L190 HydrophobicContact CG1-CD2 4.04Å; V167-L190 HydrophobicContact CG1-CG 4.31Å; V167-F194 HydrophobicContact CG1-CD2 4.06Å; V167-F194 HydrophobicContact CG1-CE2 4.26Å; V167-F194 HydrophobicContact CG2-CB 4.41Å; V167-F194 HydrophobicContact CG2-CD1 3.62Å; V167-F194 HydrophobicContact CG2-CD2 3.95Å; V167-F194 HydrophobicContact CG2-CE1 3.78Å; V167-F194 HydrophobicContact CG2-CE2 4.09Å; V167-F194 HydrophobicContact CG2-CG 3.72Å; V167-F194 HydrophobicContact CG2-CZ 4.01Å; V167-I210 HydrophobicContact CG2-CG2 4.46Å; V167-T211 PolarHBondContact N-O 2.94Å; V167-L212 HydrophobicContact CB-CD1 3.98Å; V167-L212 HydrophobicContact CG1-CD1 3.77Å; V167-C213 PolarHBondContact O-N 3.05Å
168V98.9Very high98.3Very high9 Ų940.1 Ų40.16%0.05522%0.222CC..EExtended strand (participates in β ladder)trans-80.8111.5178.3-176.10000110.4L118 N119 K187 L215 I245L118-V168 PolarHBondContact O-N 3.33Å; N119-V168 HydrophobicContact CB-CB 4.19Å; N119-V168 HydrophobicContact CB-CG2 3.78Å; V168-K187 PolarHBondContact O-NZ 2.91Å; V168-L215 HydrophobicContact CG1-CD1 3.48Å; V168-L215 VanDerWaalsContact CG1-CD1 3.48Å; V168-L215 HydrophobicContact CG1-CG 4.26Å; V168-I245 HydrophobicContact CG2-CD1 4.28Å; V168-I245 HydrophobicContact CG2-CG2 4.35Å
169S98.6Very high98.2Very high3 Ų342.9 Ų42.92%0.02124%0.236CC..  trans-114-156.2175.7-164.90000110.4V167 C213V167-S169 PolarHBondContact O-N 2.87Å; S169-C213 CarbonylContact C-O 3.56Å; S169-C213 WeakPolarHBondContact CA-O 3.36Å; S169-C213 VanDerWaalsContact CB-O 3.32Å; S169-C213 WeakPolarHBondContact CB-O 3.28Å; S169-C213 PolarHBondContact N-O 3.06Å
170S98.3Very high98.1Very high17 Ų1739.1 Ų39.112%0.11922%0.221CC..  trans-154.5162.6-173.2176.40000110.6A172 G173 Y183 L215S170-A172 PolarHBondContact O-N 3.41Å; S170-A172 PolarHBondContact OG-N 2.9Å; S170-G173 WeakPolarHBondContact O-CA 3.22Å; S170-G173 PolarHBondContact O-N 2.79Å; S170-Y183 VanDerWaalsContact CB-OH 3.23Å; S170-Y183 WeakPolarHBondContact CB-OH 3.44Å; S170-L215 CarbonylContact C-O 3.4Å; S170-L215 VanDerWaalsContact CA-O 3.3Å; S170-L215 WeakPolarHBondContact CA-O 3.48Å; S170-L215 PolarHBondContact OG-O 3.25Å
171L97.9Very high98.1Very high15 Ų1533.9 Ų33.98%0.07921%0.206CC..G310 helixtrans-48.8-38.6163.8-65175.7000111.5G173 K174 V175 Y177 V214 L215 T264 I268L171-G173 PolarHBondContact O-N 3.17Å; L171-G173 VanDerWaalsContact O-N 3.1Å; L171-K174 PolarHBondContact O-N 3.04Å; L171-V175 WeakPolarHBondContact O-CG2 3.23Å; L171-V175 PolarHBondContact O-N 2.94Å; L171-Y177 HydrophobicContact CB-CE2 3.98Å; L171-V214 HydrophobicContact CD2-CG1 3.96Å; L171-L215 PolarHBondContact N-O 3.16Å; L171-T264 HydrophobicContact CD1-CG2 3.56Å; L171-T264 HydrophobicContact CD2-CG2 3.63Å; L171-T264 HydrophobicContact CG-CG2 4.27Å; L171-I268 HydrophobicContact CD2-CB 4.32Å; L171-I268 HydrophobicContact CD2-CD1 3.96Å; L171-I268 HydrophobicContact CD2-CG1 3.78Å
172A97.4Very high98.1Very high6 Ų632.7 Ų32.75%0.0520%0.199CC..G310 helixtrans-68.8-3.5176.100000114.6S170 V175 Y177 V180 Y183 S184 F188S170-A172 PolarHBondContact O-N 3.41Å; S170-A172 PolarHBondContact OG-N 2.9Å; A172-V175 CarbonylContact C-O 3.58Å; A172-V175 WeakPolarHBondContact CA-O 3.36Å; A172-Y177 HydrophobicContact CB-CD2 3.86Å; A172-Y177 HydrophobicContact CB-CE2 4.47Å; A172-V180 HydrophobicContact CB-CG2 4.32Å; A172-Y183 HydrophobicContact CB-CD1 4.18Å; A172-Y183 HydrophobicContact CB-CE1 3.98Å; A172-S184 WeakPolarHBondContact O-CA 3.21Å; A172-S184 VanDerWaalsContact O-CB 3.3Å; A172-S184 WeakPolarHBondContact O-CB 3.46Å; A172-S184 PolarHBondContact O-OG 2.87Å; A172-F188 WeakPolarHBondContact O-CD2 3.49Å; A172-F188 VanDerWaalsContact O-CE2 3.23Å; A172-F188 WeakPolarHBondContact O-CE2 3.47Å
173G98.1Very high98.1Very high0 Ų030.5 Ų30.50%019%0.185CC..G310 helixtrans-972.2168.300000114S170 L171S170-G173 WeakPolarHBondContact O-CA 3.22Å; S170-G173 PolarHBondContact O-N 2.79Å; L171-G173 PolarHBondContact O-N 3.17Å; L171-G173 VanDerWaalsContact O-N 3.1Å
174K98.1Very high98.1Very high38 Ų3831 Ų3117%0.16519%0.187CC..THydrogen-bonded Turntrans-127.5-31.4-179.9-70.6-65.8-168.1175.60112.5L171 F188 D191 V214 E255 I268L171-K174 PolarHBondContact O-N 3.04Å; K174-F188 WeakPolarHBondContact O-CZ 3.25Å; K174-D191 WeakPolarHBondContact CD-OD2 3.17Å; K174-D191 WeakPolarHBondContact CE-OD2 3.22Å; K174-D191 IonicContact NZ-OD1 2.69Å; K174-D191 IonicContact NZ-OD2 2.71Å; K174-D191 PolarHBondContact NZ-OD2 2.94Å; K174-V214 HydrophobicContact CD-CG2 4.49Å; K174-V214 HydrophobicContact CG-CG1 3.88Å; K174-V214 HydrophobicContact CG-CG2 3.94Å; K174-E255 IonicContact NZ-OE1 2.63Å; K174-E255 PolarHBondContact NZ-OE1 3.4Å; K174-I268 HydrophobicContact CB-CD1 3.64Å; K174-I268 HydrophobicContact CB-CG1 4.09Å; K174-I268 HydrophobicContact CG-CD1 4.48Å; K174-I268 HydrophobicContact CG-CG1 4.41Å
175V97.6Very high98.1Very high58 Ų5832.9 Ų32.935%0.35220%0.203SC..SBendtrans-132.2157174.3-63.20000110.3L171 A172 Y177 I268L171-V175 WeakPolarHBondContact O-CG2 3.23Å; L171-V175 PolarHBondContact O-N 2.94Å; A172-V175 CarbonylContact C-O 3.58Å; A172-V175 WeakPolarHBondContact CA-O 3.36Å; V175-Y177 HydrophobicContact CG2-CD2 4.19Å; V175-Y177 HydrophobicContact CG2-CE2 3.41Å; V175-Y177 VanDerWaalsContact CG2-CE2 3.41Å; V175-I268 HydrophobicContact CG1-CD1 3.77Å; V175-I268 HydrophobicContact CG2-CD1 4.24Å
176A98.2Very high98.1Very high89 Ų8932.9 Ų32.974%0.73620%0.203SC*.  trans-84.7136.6-178.900000111.5
177Y96.9Very high98.1Very high107 Ų10733 Ų3342%0.4220%0.204SC..  trans-128.1146170.7-69.7-83000110.1L171 A172 V175L171-Y177 HydrophobicContact CB-CE2 3.98Å; A172-Y177 HydrophobicContact CB-CD2 3.86Å; A172-Y177 HydrophobicContact CB-CE2 4.47Å; V175-Y177 HydrophobicContact CG2-CD2 4.19Å; V175-Y177 HydrophobicContact CG2-CE2 3.41Å; V175-Y177 VanDerWaalsContact CG2-CE2 3.41Å
178P96.6Very high98.1Very high103 Ų10337 Ų3767%0.66922%0.221SC*.THydrogen-bonded Turntrans-66.3166.7170.631.5-35.9000110.8V180P178-V180 PolarHBondContact O-N 2.95Å; P178-V180 VanDerWaalsContact O-N 3.12Å
179M96.7Very high98.1Very high58 Ų5837.8 Ų37.829%0.28623%0.229SC..THydrogen-bonded Turntrans69.5-1.7174.7-47.4-65.8-9200116.8L126 N127 L128L126-M179 HydrophobicContact CB-CB 3.96Å; L126-M179 HydrophobicContact CD2-CB 4.25Å; N127-M179 VanDerWaalsContact C-SD 3.58Å; N127-M179 PolarHBondContact N-O 3.47Å; N127-M179 VanDerWaalsContact N-O 3.13Å; N127-M179 CarbonylContact O-C 3.37Å; N127-M179 WeakPolarHBondContact O-CA 3.25Å; L128-M179 HydrophobicContact CB-SD 4.32Å; L128-M179 HydrophobicContact CD2-SD 3.46Å; L128-M179 WeakPolarHBondContact CD2-SD 3.23Å; L128-M179 HydrophobicContact CG-CE 4.37Å; L128-M179 HydrophobicContact CG-SD 3.58Å; L128-M179 VanDerWaalsContact CG-SD 3.58Å; L128-M179 PolarHBondContact N-SD 3.21Å; L128-M179 VanDerWaalsContact N-SD 3.36Å
180V97.7Very high98.1Very high22 Ų2237.6 Ų37.613%0.13323%0.228CC..  trans-134.528.8-174.7-63.60000113.6L126 A172 P178 A182 Y183 S184L126-V180 HydrophobicContact CD2-CG1 3.34Å; A172-V180 HydrophobicContact CB-CG2 4.32Å; P178-V180 PolarHBondContact O-N 2.95Å; P178-V180 VanDerWaalsContact O-N 3.12Å; V180-A182 PolarHBondContact O-N 3.06Å; V180-Y183 HydrophobicContact CB-CD1 4.32Å; V180-Y183 PolarHBondContact O-N 2.98Å; V180-S184 VanDerWaalsContact O-CB 3.28Å; V180-S184 WeakPolarHBondContact O-CB 3.31Å; V180-S184 PolarHBondContact O-N 3.48Å
181A98.3Very high98.1Very high57 Ų5737.3 Ų37.347%0.47123%0.225SC..Hα-helixtrans-54.3-50.4-171.100000114F129 S184 A185F129-A181 HydrophobicContact CB-CB 4.42Å; A181-S184 PolarHBondContact O-N 3.45Å; A181-A185 WeakPolarHBondContact O-CB 3.45Å; A181-A185 PolarHBondContact O-N 3.28Å
182A98.4Very high98.2Very high10 Ų1038.9 Ų38.98%0.08325%0.245CC..Hα-helixtrans-62.1-44.6178.800000112.6V136 V180 S186V136-A182 HydrophobicContact CB-CB 4.45Å; V136-A182 HydrophobicContact CG2-CB 3.93Å; V180-A182 PolarHBondContact O-N 3.06Å; A182-S186 PolarHBondContact O-N 3.21Å
183Y98.7Very high98.2Very high37 Ų3741.7 Ų41.715%0.14526%0.256CS..Hα-helixtrans-62.8-49.4176.5172-97.7000111.5I121 T124 S170 A172 V180 A185 S186 K187I121-Y183 HydrophobicContact CD1-CE2 4.06Å; I121-Y183 HydrophobicContact CG2-CE2 4.3Å; T124-Y183 HydrophobicContact CG2-CG 4.41Å; S170-Y183 VanDerWaalsContact CB-OH 3.23Å; S170-Y183 WeakPolarHBondContact CB-OH 3.44Å; A172-Y183 HydrophobicContact CB-CD1 4.18Å; A172-Y183 HydrophobicContact CB-CE1 3.98Å; V180-Y183 HydrophobicContact CB-CD1 4.32Å; V180-Y183 PolarHBondContact O-N 2.98Å; Y183-A185 PolarHBondContact O-N 3.15Å; Y183-S186 PolarHBondContact O-N 3.42Å; Y183-S186 VanDerWaalsContact O-N 3.15Å; Y183-S186 PolarHBondContact O-OG 2.76Å; Y183-K187 HydrophobicContact CD1-CG 4.31Å; Y183-K187 HydrophobicContact CD2-CG 4.35Å; Y183-K187 HydrophobicContact CE1-CG 3.9Å; Y183-K187 HydrophobicContact CE2-CD 4.29Å; Y183-K187 VanDerWaalsContact CE2-CE 3.45Å; Y183-K187 HydrophobicContact CE2-CG 3.93Å; Y183-K187 WeakPolarHBondContact O-CG 3.32Å; Y183-K187 PolarHBondContact O-N 3.31Å
184S98.6Very high98.3Very high13 Ų1341.7 Ų41.79%0.09126%0.256CS..Hα-helixtrans-56.9-49178.2-178.40000110.9A172 V180 A181 S186 K187 F188A172-S184 WeakPolarHBondContact O-CA 3.21Å; A172-S184 VanDerWaalsContact O-CB 3.3Å; A172-S184 WeakPolarHBondContact O-CB 3.46Å; A172-S184 PolarHBondContact O-OG 2.87Å; V180-S184 VanDerWaalsContact O-CB 3.28Å; V180-S184 WeakPolarHBondContact O-CB 3.31Å; V180-S184 PolarHBondContact O-N 3.48Å; A181-S184 PolarHBondContact O-N 3.45Å; S184-S186 VanDerWaalsContact C-N 3.31Å; S184-S186 PolarHBondContact O-N 3.04Å; S184-K187 PolarHBondContact O-N 2.87Å; S184-F188 WeakPolarHBondContact O-CD2 3.37Å; S184-F188 PolarHBondContact O-N 3.34Å
185A98.7Very high98.3Very high48 Ų4840.2 Ų40.240%0.39725%0.25SS..Hα-helixtrans-53.6-46.6175.800000112.2A181 Y183 K187 F188 A189A181-A185 WeakPolarHBondContact O-CB 3.45Å; A181-A185 PolarHBondContact O-N 3.28Å; Y183-A185 PolarHBondContact O-N 3.15Å; A185-K187 VanDerWaalsContact C-N 3.35Å; A185-K187 PolarHBondContact O-N 3.42Å; A185-F188 PolarHBondContact O-N 2.95Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-A189 PolarHBondContact O-N 3.24Å
186S98.8Very high98.3Very high0 Ų040.3 Ų40.30%025%0.254CS..Hα-helixtrans-64.5-35.6177.875.30000113.5M140 N143 A182 Y183 S184 A189 L190M140-S186 VanDerWaalsContact SD-CA 3.55Å; N143-S186 WeakPolarHBondContact CB-OG 3.37Å; N143-S186 PolarHBondContact ND2-OG 3Å; N143-S186 VanDerWaalsContact ND2-OG 3.08Å; A182-S186 PolarHBondContact O-N 3.21Å; Y183-S186 PolarHBondContact O-N 3.42Å; Y183-S186 VanDerWaalsContact O-N 3.15Å; Y183-S186 PolarHBondContact O-OG 2.76Å; S184-S186 VanDerWaalsContact C-N 3.31Å; S184-S186 PolarHBondContact O-N 3.04Å; S186-A189 PolarHBondContact O-N 3.06Å; S186-L190 PolarHBondContact O-N 3.21Å
187K98.8Very high98.3Very high3 Ų336.8 Ų36.81%0.01322%0.222CC..Hα-helixtrans-77.9-31.6179.3-65.9-51-169.2177.50113.3V168 Y183 S184 A185 L190 D191V168-K187 PolarHBondContact O-NZ 2.91Å; Y183-K187 HydrophobicContact CD1-CG 4.31Å; Y183-K187 HydrophobicContact CD2-CG 4.35Å; Y183-K187 HydrophobicContact CE1-CG 3.9Å; Y183-K187 HydrophobicContact CE2-CD 4.29Å; Y183-K187 VanDerWaalsContact CE2-CE 3.45Å; Y183-K187 HydrophobicContact CE2-CG 3.93Å; Y183-K187 WeakPolarHBondContact O-CG 3.32Å; Y183-K187 PolarHBondContact O-N 3.31Å; S184-K187 PolarHBondContact O-N 2.87Å; A185-K187 VanDerWaalsContact C-N 3.35Å; A185-K187 PolarHBondContact O-N 3.42Å; K187-L190 HydrophobicContact CD-CD1 3.69Å; K187-D191 PolarHBondContact O-N 2.88Å
188F98.8Very high98.4Very high83 Ų8332.8 Ų32.836%0.36421%0.206SC..Hα-helixtrans-67.3-39.8168.2-90-91.7000111.5A172 K174 S184 A185 L190 D191 G192A172-F188 WeakPolarHBondContact O-CD2 3.49Å; A172-F188 VanDerWaalsContact O-CE2 3.23Å; A172-F188 WeakPolarHBondContact O-CE2 3.47Å; K174-F188 WeakPolarHBondContact O-CZ 3.25Å; S184-F188 WeakPolarHBondContact O-CD2 3.37Å; S184-F188 PolarHBondContact O-N 3.34Å; A185-F188 PolarHBondContact O-N 2.95Å; F188-L190 VanDerWaalsContact C-N 3.29Å; F188-L190 PolarHBondContact O-N 3.03Å; F188-D191 PolarHBondContact O-N 3.38Å; F188-D191 VanDerWaalsContact O-N 3.16Å; F188-G192 PolarHBondContact O-N 2.74Å
189A98.9Very high98.4Very high26 Ų2631.8 Ų31.822%0.21519%0.191CC..Hα-helixtrans-59.9-39.4176.100000112.1M140 F144 A185 S186 G192 F193M140-A189 HydrophobicContact CE-CB 3.8Å; F144-A189 HydrophobicContact CB-CB 4.49Å; F144-A189 HydrophobicContact CD1-CB 4.35Å; F144-A189 HydrophobicContact CD2-CB 3.62Å; F144-A189 HydrophobicContact CE2-CB 3.87Å; F144-A189 WeakPolarHBondContact CE2-O 3.25Å; F144-A189 HydrophobicContact CG-CB 3.89Å; F144-A189 HydrophobicContact CZ-CB 4.34Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-A189 PolarHBondContact O-N 3.24Å; S186-A189 PolarHBondContact O-N 3.06Å; A189-G192 PolarHBondContact O-N 3.21Å; A189-F193 WeakPolarHBondContact O-CB 3.49Å; A189-F193 PolarHBondContact O-N 3.01Å
190L98.9Very high98.4Very high0 Ų033.9 Ų33.90%020%0.201CC..Hα-helixtrans-57.3-48.8172.5-70.7174.3000111.9F144 Y147 V167 S186 K187 F188 F193 F194F144-L190 HydrophobicContact CD2-CD2 3.94Å; F144-L190 HydrophobicContact CD2-CG 4.29Å; Y147-L190 HydrophobicContact CD2-CD1 4.14Å; Y147-L190 HydrophobicContact CD2-CD2 3.42Å; Y147-L190 VanDerWaalsContact CD2-CD2 3.42Å; Y147-L190 HydrophobicContact CD2-CG 4.46Å; Y147-L190 HydrophobicContact CE2-CD1 3.99Å; Y147-L190 HydrophobicContact CE2-CD2 4.12Å; Y147-L190 HydrophobicContact CG-CD2 3.91Å; V167-L190 HydrophobicContact CG1-CB 4.18Å; V167-L190 HydrophobicContact CG1-CD1 3.96Å; V167-L190 HydrophobicContact CG1-CD2 4.04Å; V167-L190 HydrophobicContact CG1-CG 4.31Å; S186-L190 PolarHBondContact O-N 3.21Å; K187-L190 HydrophobicContact CD-CD1 3.69Å; F188-L190 VanDerWaalsContact C-N 3.29Å; F188-L190 PolarHBondContact O-N 3.03Å; L190-F193 PolarHBondContact O-N 3.2Å; L190-F194 HydrophobicContact CB-CD2 4.34Å; L190-F194 HydrophobicContact CD2-CD2 3.87Å; L190-F194 HydrophobicContact CD2-CE2 3.54Å; L190-F194 VanDerWaalsContact O-CB 3.28Å; L190-F194 WeakPolarHBondContact O-CB 3.32Å; L190-F194 WeakPolarHBondContact O-CD2 3.35Å; L190-F194 PolarHBondContact O-N 2.87Å
191D98.8Very high98.4Very high10 Ų1034 Ų345%0.05320%0.199CC..Hα-helixtrans-60.7-49.2179.4-1787.9000111.5K174 K187 F188 F193 S195 L212 R273K174-D191 WeakPolarHBondContact CD-OD2 3.17Å; K174-D191 WeakPolarHBondContact CE-OD2 3.22Å; K174-D191 IonicContact NZ-OD1 2.69Å; K174-D191 IonicContact NZ-OD2 2.71Å; K174-D191 PolarHBondContact NZ-OD2 2.94Å; K187-D191 PolarHBondContact O-N 2.88Å; F188-D191 PolarHBondContact O-N 3.38Å; F188-D191 VanDerWaalsContact O-N 3.16Å; D191-F193 PolarHBondContact O-N 3.11Å; D191-S195 WeakPolarHBondContact O-CB 3.46Å; D191-S195 PolarHBondContact O-N 3.47Å; D191-S195 PolarHBondContact O-OG 2.71Å; D191-S195 PolarHBondContact OD1-OG 3Å; D191-L212 HydrophobicContact CB-CD2 3.81Å; D191-R273 VanDerWaalsContact CG-NH1 3.28Å; D191-R273 IonicContact OD1-CZ 2.69Å; D191-R273 IonicContact OD1-NH1 3.22Å; D191-R273 PolarHBondContact OD1-NH1 3.38Å; D191-R273 VanDerWaalsContact OD1-NH1 3.09Å; D191-R273 IonicContact OD1-NH2 2.71Å; D191-R273 PolarHBondContact OD1-NH2 3.33Å; D191-R273 IonicContact OD2-CZ 2.89Å; D191-R273 IonicContact OD2-NH1 3.57Å; D191-R273 PolarHBondContact OD2-NH1 3.46Å; D191-R273 IonicContact OD2-NH2 2.88Å
192G98.7Very high98.2Very high48 Ų4835.8 Ų35.850%0.49521%0.208SC..Hα-helixtrans-55.8-50.5178.400000112.5F188 A189 S196F188-G192 PolarHBondContact O-N 2.74Å; A189-G192 PolarHBondContact O-N 3.21Å; G192-S196 WeakPolarHBondContact O-CB 3.42Å; G192-S196 PolarHBondContact O-N 2.84Å
193F98.9Very high98Very high66 Ų6637.8 Ų37.829%0.28922%0.219SC..Hα-helixtrans-68.4-56.1-178.8-176.5-92.7000112.6F144 V148 A189 L190 D191 S195 S196 I197F144-F193 HydrophobicContact CE2-CB 3.62Å; F144-F193 HydrophobicContact CE2-CG 4.06Å; F144-F193 HydrophobicContact CZ-CB 4.06Å; F144-F193 HydrophobicContact CZ-CD2 4.3Å; F144-F193 HydrophobicContact CZ-CG 4.25Å; V148-F193 HydrophobicContact CB-CE1 4.32Å; V148-F193 HydrophobicContact CB-CZ 4.27Å; V148-F193 HydrophobicContact CG1-CE1 4.06Å; V148-F193 HydrophobicContact CG1-CE2 4.14Å; V148-F193 HydrophobicContact CG1-CZ 3.57Å; V148-F193 HydrophobicContact CG2-CD1 3.9Å; V148-F193 HydrophobicContact CG2-CD2 4.33Å; V148-F193 HydrophobicContact CG2-CE1 3.68Å; V148-F193 HydrophobicContact CG2-CE2 4.14Å; V148-F193 HydrophobicContact CG2-CG 4.22Å; V148-F193 HydrophobicContact CG2-CZ 3.82Å; A189-F193 WeakPolarHBondContact O-CB 3.49Å; A189-F193 PolarHBondContact O-N 3.01Å; L190-F193 PolarHBondContact O-N 3.2Å; D191-F193 PolarHBondContact O-N 3.11Å; F193-S195 VanDerWaalsContact C-N 3.32Å; F193-S195 PolarHBondContact O-N 3.47Å; F193-S196 WeakPolarHBondContact O-CB 3.38Å; F193-S196 PolarHBondContact O-N 3.08Å; F193-S196 VanDerWaalsContact O-N 3.1Å; F193-I197 HydrophobicContact CD1-CD1 4.3Å; F193-I197 HydrophobicContact CE1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CG1 4.5Å; F193-I197 HydrophobicContact CE1-CG2 4.09Å; F193-I197 HydrophobicContact CE2-CG2 4.43Å; F193-I197 HydrophobicContact CZ-CG2 4.03Å; F193-I197 PolarHBondContact O-N 3.36Å
194F98.9Very high97.8Very high0 Ų038.8 Ų38.80%023%0.231CC..Hα-helixtrans-68.7-30.4-173.4-79.2-80.8000112.7L118 Y147 T151 I165 V167 L190 I197 R198 I210L118-F194 HydrophobicContact CD1-CE1 4.37Å; L118-F194 HydrophobicContact CD1-CZ 3.91Å; Y147-F194 HydrophobicContact CD2-CE2 4.43Å; T151-F194 HydrophobicContact CG2-CE1 4.25Å; T151-F194 WeakPolarHBondContact OG1-CE1 3.48Å; T151-F194 WeakPolarHBondContact OG1-CZ 3.41Å; I165-F194 HydrophobicContact CG2-CE1 4.1Å; V167-F194 HydrophobicContact CG1-CD2 4.06Å; V167-F194 HydrophobicContact CG1-CE2 4.26Å; V167-F194 HydrophobicContact CG2-CB 4.41Å; V167-F194 HydrophobicContact CG2-CD1 3.62Å; V167-F194 HydrophobicContact CG2-CD2 3.95Å; V167-F194 HydrophobicContact CG2-CE1 3.78Å; V167-F194 HydrophobicContact CG2-CE2 4.09Å; V167-F194 HydrophobicContact CG2-CG 3.72Å; V167-F194 HydrophobicContact CG2-CZ 4.01Å; L190-F194 HydrophobicContact CB-CD2 4.34Å; L190-F194 HydrophobicContact CD2-CD2 3.87Å; L190-F194 HydrophobicContact CD2-CE2 3.54Å; L190-F194 VanDerWaalsContact O-CB 3.28Å; L190-F194 WeakPolarHBondContact O-CB 3.32Å; L190-F194 WeakPolarHBondContact O-CD2 3.35Å; L190-F194 PolarHBondContact O-N 2.87Å; F194-I197 HydrophobicContact CD1-CD1 3.76Å; F194-I197 HydrophobicContact CD1-CG1 4.43Å; F194-I197 HydrophobicContact CE1-CD1 4.1Å; F194-I197 WeakPolarHBondContact O-CG1 3.13Å; F194-R198 WeakPolarHBondContact O-CB 3.34Å; F194-R198 PolarHBondContact O-N 2.63Å; F194-R198 VanDerWaalsContact O-N 3.16Å; F194-I210 HydrophobicContact CB-CG2 3.99Å; F194-I210 HydrophobicContact CD1-CD1 4.48Å; F194-I210 HydrophobicContact CD1-CG2 3.94Å; F194-I210 HydrophobicContact CG-CG2 4.4Å
195S98.6Very high97.6Very high6 Ų648.7 Ų48.74%0.04227%0.267CS..Hα-helixtrans-72.3-34.7171.6-63.60000112.6D191 F193 R198 K199 R273D191-S195 WeakPolarHBondContact O-CB 3.46Å; D191-S195 PolarHBondContact O-N 3.47Å; D191-S195 PolarHBondContact O-OG 2.71Å; D191-S195 PolarHBondContact OD1-OG 3Å; F193-S195 VanDerWaalsContact C-N 3.32Å; F193-S195 PolarHBondContact O-N 3.47Å; S195-R198 PolarHBondContact OG-NH1 3.44Å; S195-K199 PolarHBondContact O-N 3.45Å; S195-R273 PolarHBondContact OG-NH2 3.1Å
196S98.4Very high97.5Very high61 Ų6147.6 Ų47.643%0.42726%0.255SS..Hα-helixtrans-65.7-51.9175.1-166.80000111.4G192 F193 R198 K199 E200G192-S196 WeakPolarHBondContact O-CB 3.42Å; G192-S196 PolarHBondContact O-N 2.84Å; F193-S196 WeakPolarHBondContact O-CB 3.38Å; F193-S196 PolarHBondContact O-N 3.08Å; F193-S196 VanDerWaalsContact O-N 3.1Å; S196-R198 PolarHBondContact O-N 3.22Å; S196-K199 WeakPolarHBondContact O-CA 3.17Å; S196-K199 WeakPolarHBondContact O-CB 3.21Å; S196-K199 PolarHBondContact O-N 3.04Å; S196-E200 PolarHBondContact O-N 3.22Å
197I98.2Very high97.5Very high15 Ų1551.7 Ų51.78%0.07728%0.277CS..Hα-helixtrans-64.9-25.8-179.765.2168000112.2T151 F193 F194 K199 E200 Y201 I210T151-I197 HydrophobicContact CG2-CD1 4.33Å; F193-I197 HydrophobicContact CD1-CD1 4.3Å; F193-I197 HydrophobicContact CE1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CG1 4.5Å; F193-I197 HydrophobicContact CE1-CG2 4.09Å; F193-I197 HydrophobicContact CE2-CG2 4.43Å; F193-I197 HydrophobicContact CZ-CG2 4.03Å; F193-I197 PolarHBondContact O-N 3.36Å; F194-I197 HydrophobicContact CD1-CD1 3.76Å; F194-I197 HydrophobicContact CD1-CG1 4.43Å; F194-I197 HydrophobicContact CE1-CD1 4.1Å; F194-I197 WeakPolarHBondContact O-CG1 3.13Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 3.2Å; I197-E200 PolarHBondContact O-N 2.88Å; I197-Y201 WeakPolarHBondContact O-CB 3.47Å; I197-Y201 WeakPolarHBondContact O-CD1 3.32Å; I197-Y201 VanDerWaalsContact O-CG 3.3Å; I197-Y201 PolarHBondContact O-N 3.47Å; I197-I210 HydrophobicContact CD1-CD1 3.64Å; I197-I210 HydrophobicContact CG1-CD1 3.55Å
198R98.3Very high97.5Very high22 Ų2251.9 Ų51.98%0.08328%0.279CS..Hα-helixtrans-61.1-42171-169.6-170.9-63.4110.2-2.8111.3F194 S195 S196 Y201 S202 I210 E254F194-R198 WeakPolarHBondContact O-CB 3.34Å; F194-R198 PolarHBondContact O-N 2.63Å; F194-R198 VanDerWaalsContact O-N 3.16Å; S195-R198 PolarHBondContact OG-NH1 3.44Å; S196-R198 PolarHBondContact O-N 3.22Å; R198-Y201 PolarHBondContact O-N 3.18Å; R198-S202 PolarHBondContact O-N 3.3Å; R198-S202 VanDerWaalsContact O-N 3.08Å; R198-I210 HydrophobicContact CB-CB 4.46Å; R198-I210 HydrophobicContact CB-CD1 4.15Å; R198-I210 HydrophobicContact CG-CB 4.46Å; R198-I210 VanDerWaalsContact CZ-O 3.27Å; R198-I210 PolarHBondContact NE-O 2.81Å; R198-I210 PolarHBondContact NH2-O 3.46Å; R198-E254 WeakPolarHBondContact CD-OE1 3.49Å; R198-E254 PolarHBondContact NH2-O 3.33Å
199K96.9Very high97.5Very high82 Ų8248.6 Ų48.636%0.35727%0.266SS..Hα-helixtrans-67.4-40.7174.9-57.5-59.4-175.9-173.10111.1S195 S196 I197 Y201 S202 V203 E277S195-K199 PolarHBondContact O-N 3.45Å; S196-K199 WeakPolarHBondContact O-CA 3.17Å; S196-K199 WeakPolarHBondContact O-CB 3.21Å; S196-K199 PolarHBondContact O-N 3.04Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 3.2Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 PolarHBondContact O-N 2.89Å; K199-S202 WeakPolarHBondContact O-CB 3.25Å; K199-S202 PolarHBondContact O-N 3.48Å; K199-V203 PolarHBondContact O-N 3.45Å; K199-V203 VanDerWaalsContact O-N 3.13Å; K199-E277 WeakPolarHBondContact CE-OE2 3.4Å; K199-E277 IonicContact NZ-OE2 3.43Å; K199-E277 PolarHBondContact NZ-OE2 3.35Å
200E96.8Very high97.5Very high102 Ų10247.5 Ų47.548%0.47726%0.256SS..Hα-helixtrans-60-42.4174.6-65.1178.1-163.700112S196 I197 S202 V203 S204S196-E200 PolarHBondContact O-N 3.22Å; I197-E200 PolarHBondContact O-N 2.88Å; E200-S202 VanDerWaalsContact C-N 3.33Å; E200-S202 PolarHBondContact O-N 3.46Å; E200-V203 WeakPolarHBondContact O-CG2 3.47Å; E200-V203 PolarHBondContact O-N 3.3Å; E200-S204 WeakPolarHBondContact O-CB 3.24Å; E200-S204 PolarHBondContact O-N 3.34Å; E200-S204 PolarHBondContact O-OG 3.21Å
201Y97.3Very high97.5Very high25 Ų2547.5 Ų47.510%0.09826%0.256CS..Hα-helixtrans-64.6-37.3176.1-73.63.3000112.2L155 I197 R198 K199 R205 V206 V208 I210L155-Y201 HydrophobicContact CD1-CE1 4.47Å; L155-Y201 HydrophobicContact CD1-CE2 3.99Å; L155-Y201 WeakPolarHBondContact CD1-OH 3.48Å; L155-Y201 HydrophobicContact CD2-CE1 4.31Å; L155-Y201 VanDerWaalsContact CD2-OH 3.3Å; L155-Y201 WeakPolarHBondContact CD2-OH 3.47Å; I197-Y201 WeakPolarHBondContact O-CB 3.47Å; I197-Y201 WeakPolarHBondContact O-CD1 3.32Å; I197-Y201 VanDerWaalsContact O-CG 3.3Å; I197-Y201 PolarHBondContact O-N 3.47Å; R198-Y201 PolarHBondContact O-N 3.18Å; K199-Y201 VanDerWaalsContact C-N 3.34Å; K199-Y201 PolarHBondContact O-N 2.89Å; Y201-R205 CarbonylContact O-C 3.59Å; Y201-R205 WeakPolarHBondContact O-CA 3.3Å; Y201-R205 PolarHBondContact O-N 3.46Å; Y201-V206 HydrophobicContact CD1-CB 3.88Å; Y201-V206 HydrophobicContact CD1-CG1 3.94Å; Y201-V206 HydrophobicContact CD1-CG2 4.2Å; Y201-V206 HydrophobicContact CD2-CB 4.35Å; Y201-V206 HydrophobicContact CD2-CG1 3.86Å; Y201-V206 HydrophobicContact CE1-CG1 4.26Å; Y201-V206 HydrophobicContact CE2-CG1 4.18Å; Y201-V206 HydrophobicContact CG-CB 3.76Å; Y201-V206 HydrophobicContact CG-CG1 3.75Å; Y201-V206 PolarHBondContact O-N 2.92Å; Y201-V208 HydrophobicContact CD2-CB 4.18Å; Y201-V208 HydrophobicContact CE2-CB 4.13Å; Y201-V208 HydrophobicContact CE2-CG1 4.32Å; Y201-I210 HydrophobicContact CD2-CD1 4.02Å; Y201-I210 HydrophobicContact CD2-CG1 4.48Å; Y201-I210 HydrophobicContact CE2-CD1 3.89Å; Y201-I210 HydrophobicContact CE2-CG1 4.44Å
202S93.8Very high97.5Very high94 Ų9447 Ų4766%0.65725%0.254SS*.Hα-helixtrans-61.3-47.1175.3-177.60000112R198 K199 E200 R205R198-S202 PolarHBondContact O-N 3.3Å; R198-S202 VanDerWaalsContact O-N 3.08Å; K199-S202 WeakPolarHBondContact O-CB 3.25Å; K199-S202 PolarHBondContact O-N 3.48Å; E200-S202 VanDerWaalsContact C-N 3.33Å; E200-S202 PolarHBondContact O-N 3.46Å; S202-R205 PolarHBondContact O-N 3.32Å
203V94.1Very high97.5Very high53 Ų5344.8 Ų44.832%0.32123%0.23SC..Hα-helixtrans-74.9-34.5-178.9-60.30000113K199 E200 R205 M286 I290K199-V203 PolarHBondContact O-N 3.45Å; K199-V203 VanDerWaalsContact O-N 3.13Å; E200-V203 WeakPolarHBondContact O-CG2 3.47Å; E200-V203 PolarHBondContact O-N 3.3Å; V203-R205 VanDerWaalsContact C-N 3.28Å; V203-R205 PolarHBondContact O-N 2.96Å; V203-M286 HydrophobicContact CB-CE 4.45Å; V203-M286 HydrophobicContact CG1-CE 4.23Å; V203-M286 HydrophobicContact CG1-CG 4.45Å; V203-M286 HydrophobicContact CG2-CE 3.86Å; V203-I290 HydrophobicContact CB-CD1 4.13Å; V203-I290 VanDerWaalsContact O-CD1 3.3Å; V203-I290 WeakPolarHBondContact O-CD1 3.32Å
204S94.2Very high97.4Very high58 Ų5841.7 Ų41.741%0.40622%0.217SC..THydrogen-bonded Turntrans-85.84.2177.261.10000113.9E200 V206E200-S204 WeakPolarHBondContact O-CB 3.24Å; E200-S204 PolarHBondContact O-N 3.34Å; E200-S204 PolarHBondContact O-OG 3.21Å; S204-V206 PolarHBondContact O-N 3.35Å; S204-V206 WeakPolarHBondContact OG-CG2 3.37Å
205R94.3Very high97.4Very high220 Ų22042 Ų4283%0.8322%0.219SC*.THydrogen-bonded Turntrans56.333.6179.9-54.4178.9-176.5-98.40113.8Y201 S202 V203 N207Y201-R205 CarbonylContact O-C 3.59Å; Y201-R205 WeakPolarHBondContact O-CA 3.3Å; Y201-R205 PolarHBondContact O-N 3.46Å; S202-R205 PolarHBondContact O-N 3.32Å; V203-R205 VanDerWaalsContact C-N 3.28Å; V203-R205 PolarHBondContact O-N 2.96Å; R205-N207 PolarHBondContact O-N 2.88Å
206V97.3Very high97.4Very high25 Ų2542.3 Ų42.315%0.15222%0.223CC..  trans-78.4111171.1173.30000108.7L155 K159 Y201 S204 V208L155-V206 HydrophobicContact CD1-CG1 4.49Å; K159-V206 HydrophobicContact CD-CG1 4.42Å; K159-V206 HydrophobicContact CG-CG1 3.99Å; Y201-V206 HydrophobicContact CD1-CB 3.88Å; Y201-V206 HydrophobicContact CD1-CG1 3.94Å; Y201-V206 HydrophobicContact CD1-CG2 4.2Å; Y201-V206 HydrophobicContact CD2-CB 4.35Å; Y201-V206 HydrophobicContact CD2-CG1 3.86Å; Y201-V206 HydrophobicContact CE1-CG1 4.26Å; Y201-V206 HydrophobicContact CE2-CG1 4.18Å; Y201-V206 HydrophobicContact CG-CB 3.76Å; Y201-V206 HydrophobicContact CG-CG1 3.75Å; Y201-V206 PolarHBondContact O-N 2.92Å; S204-V206 PolarHBondContact O-N 3.35Å; S204-V206 WeakPolarHBondContact OG-CG2 3.37Å; V206-V208 HydrophobicContact CG1-CB 4.06Å; V206-V208 HydrophobicContact CG1-CG2 3.89Å; V206-V208 PolarHBondContact O-N 3.3Å
207N98Very high97.3Very high86 Ų8640.9 Ų40.946%0.4621%0.21SC..  trans-82.950.6-177.4-169.618.6000113N162 R205 R252N162-N207 CarbonylContact C-O 3.56Å; N162-N207 VanDerWaalsContact C-O 3.24Å; N162-N207 WeakPolarHBondContact CA-O 3.42Å; N162-N207 HydrophobicContact CB-CB 4.34Å; N162-N207 WeakPolarHBondContact CB-ND2 3.42Å; N162-N207 WeakPolarHBondContact OD1-CB 3.35Å; N162-N207 PolarHBondContact OD1-ND2 2.91Å; R205-N207 PolarHBondContact O-N 2.88Å; N207-R252 PolarHBondContact O-NH2 2.74Å; N207-R252 PolarHBondContact OD1-NH2 2.87Å
208V98.7Very high97.3Very high8 Ų840.6 Ų40.65%0.04821%0.209CC..  trans-113.2120.1172.8178.10000108L155 L158 K159 G163 I165 Y201 V206L155-V208 HydrophobicContact CD1-CG2 4.19Å; L158-V208 HydrophobicContact CB-CG1 4.1Å; L158-V208 HydrophobicContact CB-CG2 3.91Å; L158-V208 HydrophobicContact CD1-CG1 4.31Å; K159-V208 HydrophobicContact CG-CG2 4.13Å; G163-V208 WeakPolarHBondContact O-CA 3.34Å; I165-V208 HydrophobicContact CD1-CG1 4Å; I165-V208 HydrophobicContact CG1-CG1 3.95Å; Y201-V208 HydrophobicContact CD2-CB 4.18Å; Y201-V208 HydrophobicContact CE2-CB 4.13Å; Y201-V208 HydrophobicContact CE2-CG1 4.32Å; V206-V208 HydrophobicContact CG1-CB 4.06Å; V206-V208 HydrophobicContact CG1-CG2 3.89Å; V206-V208 PolarHBondContact O-N 3.3Å
209S98.7Very high97.3Very high14 Ų1442 Ų4210%0.09822%0.218CC..EExtended strand (participates in β ladder)trans-79.3155.2177.665.30000111G163 S164 I165 R252G163-S209 PolarHBondContact O-N 3.05Å; G163-S209 VanDerWaalsContact O-N 3.08Å; S164-S209 WeakPolarHBondContact CA-OG 3.34Å; S164-S209 VanDerWaalsContact CB-OG 3.25Å; S164-S209 WeakPolarHBondContact CB-OG 3.49Å; S164-S209 PolarHBondContact OG-OG 2.76Å; I165-S209 PolarHBondContact N-O 3.07Å; S209-R252 PolarHBondContact OG-NH1 3Å
210I98.8Very high97.3Very high3 Ų339 Ų392%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-131.8114.8175.9-57.5179.6000108.2I165 V167 F194 I197 R198 Y201I165-I210 HydrophobicContact CB-CG1 4.35Å; I165-I210 HydrophobicContact CD1-CG1 4.33Å; I165-I210 CarbonylContact O-C 3.56Å; I165-I210 WeakPolarHBondContact O-CA 3.43Å; V167-I210 HydrophobicContact CG2-CG2 4.46Å; F194-I210 HydrophobicContact CB-CG2 3.99Å; F194-I210 HydrophobicContact CD1-CD1 4.48Å; F194-I210 HydrophobicContact CD1-CG2 3.94Å; F194-I210 HydrophobicContact CG-CG2 4.4Å; I197-I210 HydrophobicContact CD1-CD1 3.64Å; I197-I210 HydrophobicContact CG1-CD1 3.55Å; R198-I210 HydrophobicContact CB-CB 4.46Å; R198-I210 HydrophobicContact CB-CD1 4.15Å; R198-I210 HydrophobicContact CG-CB 4.46Å; R198-I210 VanDerWaalsContact CZ-O 3.27Å; R198-I210 PolarHBondContact NE-O 2.81Å; R198-I210 PolarHBondContact NH2-O 3.46Å; Y201-I210 HydrophobicContact CD2-CD1 4.02Å; Y201-I210 HydrophobicContact CD2-CG1 4.48Å; Y201-I210 HydrophobicContact CE2-CD1 3.89Å; Y201-I210 HydrophobicContact CE2-CG1 4.44Å
211T98.9Very high97.3Very high0 Ų041.7 Ų41.70%022%0.219CC..EExtended strand (participates in β ladder)trans-105.5119.4177.7-56.90000109.7I165 V166 V167 G248 Q253 E254 V256I165-T211 PolarHBondContact O-N 3.46Å; V166-T211 WeakPolarHBondContact CA-O 3.37Å; V167-T211 PolarHBondContact N-O 2.94Å; T211-G248 PolarHBondContact OG1-O 3.21Å; T211-Q253 VanDerWaalsContact CA-O 3.25Å; T211-Q253 WeakPolarHBondContact CA-O 3.25Å; T211-Q253 WeakPolarHBondContact CB-O 3.42Å; T211-Q253 WeakPolarHBondContact CG2-O 3.27Å; T211-Q253 PolarHBondContact OG1-O 2.87Å; T211-E254 WeakPolarHBondContact CA-O 3.4Å; T211-V256 HydrophobicContact CG2-CG2 3.64Å
212L98.8Very high97.2Very high0 Ų043.3 Ų43.30%023%0.231CC..EExtended strand (participates in β ladder)trans-98.8112.8173.4-17772.6000109.7V167 D191 E254 E255 V256V167-L212 HydrophobicContact CB-CD1 3.98Å; V167-L212 HydrophobicContact CG1-CD1 3.77Å; D191-L212 HydrophobicContact CB-CD2 3.81Å; L212-E254 PolarHBondContact N-O 3.37Å; L212-E255 HydrophobicContact CB-CG 4.38Å; L212-E255 VanDerWaalsContact O-CA 3.22Å; L212-E255 WeakPolarHBondContact O-CA 3.45Å; L212-V256 PolarHBondContact O-N 3.33Å
213C98.7Very high97.3Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-90.9115.8-179.5-52.40000110.3V167 S169 L215 I245 V256V167-C213 PolarHBondContact O-N 3.05Å; S169-C213 CarbonylContact C-O 3.56Å; S169-C213 WeakPolarHBondContact CA-O 3.36Å; S169-C213 VanDerWaalsContact CB-O 3.32Å; S169-C213 WeakPolarHBondContact CB-O 3.28Å; S169-C213 PolarHBondContact N-O 3.06Å; C213-L215 HydrophobicContact CB-CD2 4.11Å; C213-L215 HydrophobicContact CB-CG 4.48Å; C213-I245 HydrophobicContact CB-CG1 4.13Å; C213-V256 CarbonylContact C-O 3.51Å; C213-V256 WeakPolarHBondContact CA-O 3.44Å; C213-V256 HydrophobicContact CB-CB 4.32Å
214V98.6Very high97.5Very high1 Ų141.5 Ų41.51%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-10099.5178.7-177.40000108.3L171 K174 V256 Y257 Y258 I268L171-V214 HydrophobicContact CD2-CG1 3.96Å; K174-V214 HydrophobicContact CD-CG2 4.49Å; K174-V214 HydrophobicContact CG-CG1 3.88Å; K174-V214 HydrophobicContact CG-CG2 3.94Å; V214-V256 PolarHBondContact N-O 3.04Å; V214-Y257 HydrophobicContact CB-CD1 3.66Å; V214-Y257 HydrophobicContact CB-CE1 3.86Å; V214-Y257 HydrophobicContact CG1-CD1 4.05Å; V214-Y257 HydrophobicContact CG1-CE1 4.18Å; V214-Y257 HydrophobicContact CG2-CD1 4.14Å; V214-Y257 HydrophobicContact CG2-CE1 3.83Å; V214-Y258 PolarHBondContact O-N 3.3Å; V214-I268 HydrophobicContact CG1-CG1 4.11Å
215L98.4Very high97.6Very high7 Ų747 Ų474%0.03723%0.231CC..EExtended strand (participates in β ladder)trans-100.2141.5-173.4-50.6-175.9000112.9I46 V168 S170 L171 C213 I218 I245 Y258I46-L215 HydrophobicContact CD1-CD1 3.78Å; V168-L215 HydrophobicContact CG1-CD1 3.48Å; V168-L215 VanDerWaalsContact CG1-CD1 3.48Å; V168-L215 HydrophobicContact CG1-CG 4.26Å; S170-L215 CarbonylContact C-O 3.4Å; S170-L215 VanDerWaalsContact CA-O 3.3Å; S170-L215 WeakPolarHBondContact CA-O 3.48Å; S170-L215 PolarHBondContact OG-O 3.25Å; L171-L215 PolarHBondContact N-O 3.16Å; C213-L215 HydrophobicContact CB-CD2 4.11Å; C213-L215 HydrophobicContact CB-CG 4.48Å; L215-I218 HydrophobicContact CB-CG1 4.39Å; L215-I245 HydrophobicContact CD1-CD1 3.92Å; L215-I245 HydrophobicContact CD2-CD1 4.19Å; L215-I245 HydrophobicContact CD2-CG1 4.2Å; L215-Y258 WeakPolarHBondContact CA-O 3.3Å
216G97.6Very high97.6Very high13 Ų1337.9 Ų37.913%0.13420%0.203CC..  trans-75.1-156.1167.700000114.6I218 Y258 D259G216-I218 PolarHBondContact O-N 3.29Å; G216-Y258 PolarHBondContact N-O 3.09Å; G216-D259 VanDerWaalsContact CA-OD1 3.23Å; G216-D259 WeakPolarHBondContact CA-OD1 3.34Å
217L97.4Very high97.5Very high31 Ų3137.6 Ų37.616%0.16220%0.201CC..  trans-76.1120.5170.7-178.662.1000109.2A223 V227 M233 A235 A236L217-A223 HydrophobicContact CD1-CB 4.11Å; L217-V227 HydrophobicContact CD1-CG1 3.8Å; L217-V227 HydrophobicContact CD1-CG2 4.45Å; L217-V227 HydrophobicContact CD2-CG2 4.36Å; L217-M233 HydrophobicContact CD2-CB 4.24Å; L217-A235 HydrophobicContact CD2-CB 4.1Å; L217-A235 HydrophobicContact CG-CB 3.88Å; L217-A235 CarbonylContact O-C 3.54Å; L217-A235 VanDerWaalsContact O-CA 3.3Å; L217-A235 WeakPolarHBondContact O-CA 3.37Å; L217-A236 PolarHBondContact O-N 3.1Å
218I98.1Very high97.3Very high8 Ų837.8 Ų37.84%0.04121%0.209CC..BIsolated β-bridgetrans-114.3138.9-178.4-48.8-56.5000109.6I46 L215 G216 T220 A223 A236 K238 C241 Y258I46-I218 HydrophobicContact CD1-CB 4.06Å; I46-I218 HydrophobicContact CD1-CG1 3.96Å; I46-I218 HydrophobicContact CD1-CG2 3.97Å; I46-I218 HydrophobicContact CG1-CG2 3.97Å; L215-I218 HydrophobicContact CB-CG1 4.39Å; G216-I218 PolarHBondContact O-N 3.29Å; I218-T220 HydrophobicContact CG2-CG2 4.25Å; I218-T220 PolarHBondContact O-N 3.24Å; I218-A223 VanDerWaalsContact O-CB 3.26Å; I218-A223 WeakPolarHBondContact O-CB 3.23Å; I218-A236 WeakPolarHBondContact CA-O 3.43Å; I218-A236 HydrophobicContact CD1-CB 4.02Å; I218-K238 VanDerWaalsContact CG2-CA 3.48Å; I218-K238 HydrophobicContact CG2-CB 3.68Å; I218-C241 HydrophobicContact CD1-CB 4.12Å; I218-C241 HydrophobicContact CG2-CB 4.03Å; I218-Y258 HydrophobicContact CD1-CD1 3.75Å; I218-Y258 HydrophobicContact CD1-CE1 3.93Å
219D97.7Very high97.1Very high52 Ų5240.6 Ų40.628%0.27824%0.24SC..  trans-71.231-17176-9.6000115.9A235 A236 K238D219-A235 HydrophobicContact CB-CB 3.91Å; D219-A236 PolarHBondContact N-O 3.36Å; D219-K238 VanDerWaalsContact OD1-CB 3.24Å; D219-K238 WeakPolarHBondContact OD1-CB 3.39Å; D219-K238 VanDerWaalsContact OD1-CG 3.22Å; D219-K238 WeakPolarHBondContact OD1-CG 3.46Å; D219-K238 PolarHBondContact OD1-N 3.19Å
220T97.3Very high96.9Very high18 Ų1844.1 Ų44.111%0.1126%0.256CS..  trans-64.8145.2170.571.40000110.5I46 I218 T222 A223 M224 K238I46-T220 HydrophobicContact CD1-CG2 4.39Å; I46-T220 HydrophobicContact CG1-CG2 3.79Å; I218-T220 HydrophobicContact CG2-CG2 4.25Å; I218-T220 PolarHBondContact O-N 3.24Å; T220-T222 PolarHBondContact O-N 3.22Å; T220-T222 VanDerWaalsContact O-N 3.09Å; T220-A223 PolarHBondContact O-N 3.08Å; T220-A223 VanDerWaalsContact OG1-CB 3.3Å; T220-A223 WeakPolarHBondContact OG1-CB 3.31Å; T220-A223 PolarHBondContact OG1-N 2.69Å; T220-A223 VanDerWaalsContact OG1-N 3.15Å; T220-M224 WeakPolarHBondContact O-CG 3.46Å; T220-M224 PolarHBondContact O-N 3.43Å; T220-K238 HydrophobicContact CG2-CB 4.23Å
221E96.3Very high96.5Very high160 Ų16046.5 Ų46.575%0.74827%0.271SS*.Hα-helixtrans-52.7-36.8176.6-172.2-170166.900112.4K225E221-K225 VanDerWaalsContact O-CB 3.31Å; E221-K225 WeakPolarHBondContact O-CB 3.39Å; E221-K225 PolarHBondContact O-N 3.34Å
222T95.7Very high96.1Very high58 Ų5854.8 Ų54.836%0.35631%0.309SS..Hα-helixtrans-67.8-45.6179.1-57.50000111.9K44 T220 A226K44-T222 PolarHBondContact NZ-OG1 3.37Å; T220-T222 PolarHBondContact O-N 3.22Å; T220-T222 VanDerWaalsContact O-N 3.09Å; T222-A226 WeakPolarHBondContact O-CB 3.43Å; T222-A226 PolarHBondContact O-N 3.18Å; T222-A226 VanDerWaalsContact O-N 3.12Å
223A96.2Very high95.7Very high24 Ų2460 Ų6020%0.19834%0.335CS..Hα-helixtrans-66.9-47.7177.400000111.3L217 I218 T220 K225 A226 V227L217-A223 HydrophobicContact CD1-CB 4.11Å; I218-A223 VanDerWaalsContact O-CB 3.26Å; I218-A223 WeakPolarHBondContact O-CB 3.23Å; T220-A223 PolarHBondContact O-N 3.08Å; T220-A223 VanDerWaalsContact OG1-CB 3.3Å; T220-A223 WeakPolarHBondContact OG1-CB 3.31Å; T220-A223 PolarHBondContact OG1-N 2.69Å; T220-A223 VanDerWaalsContact OG1-N 3.15Å; A223-K225 VanDerWaalsContact C-N 3.28Å; A223-K225 PolarHBondContact O-N 3.1Å; A223-A226 PolarHBondContact O-N 3.33Å; A223-V227 WeakPolarHBondContact O-CG2 3.36Å; A223-V227 PolarHBondContact O-N 3.17Å
224M97.1Very high95.5Very high85 Ų8567.1 Ų67.142%0.41937%0.368SS..Hα-helixtrans-58.9-38.7-179.9-67.9-49.3-52.600112.5T220 S228 A235T220-M224 WeakPolarHBondContact O-CG 3.46Å; T220-M224 PolarHBondContact O-N 3.43Å; M224-S228 WeakPolarHBondContact O-CB 3.38Å; M224-S228 PolarHBondContact O-N 3.36Å; M224-A235 HydrophobicContact SD-CB 3.78Å
225K96.4Very high95.4Very high174 Ų17468.2 Ų68.276%0.75738%0.378SS*.Hα-helixtrans-68.6-39174.2-168.3175.6-175.3174.60112.5E221 A223E221-K225 VanDerWaalsContact O-CB 3.31Å; E221-K225 WeakPolarHBondContact O-CB 3.39Å; E221-K225 PolarHBondContact O-N 3.34Å; A223-K225 VanDerWaalsContact C-N 3.28Å; A223-K225 PolarHBondContact O-N 3.1Å
226A95.3Very high95.4Very high29 Ų2968 Ų6824%0.2438%0.377CS..Hα-helixtrans-72.2-32.6-177.900000113.5L126 T222 A223L126-A226 WeakPolarHBondContact CD1-O 3.23Å; T222-A226 WeakPolarHBondContact O-CB 3.43Å; T222-A226 PolarHBondContact O-N 3.18Å; T222-A226 VanDerWaalsContact O-N 3.12Å; A223-A226 PolarHBondContact O-N 3.33Å
227V94.9Very high95.4Very high18 Ų1869.9 Ų69.911%0.10939%0.387CS..Hα-helixtrans-90.5-14.4-179.4-57.70000113.9L126 L217 A223 G229 I230 V231L126-V227 HydrophobicContact CD1-CG1 4.31Å; L217-V227 HydrophobicContact CD1-CG1 3.8Å; L217-V227 HydrophobicContact CD1-CG2 4.45Å; L217-V227 HydrophobicContact CD2-CG2 4.36Å; A223-V227 WeakPolarHBondContact O-CG2 3.36Å; A223-V227 PolarHBondContact O-N 3.17Å; V227-G229 PolarHBondContact O-N 3.24Å; V227-I230 PolarHBondContact O-N 2.98Å; V227-V231 HydrophobicContact CB-CB 4.16Å; V227-V231 HydrophobicContact CG1-CB 4.48Å; V227-V231 PolarHBondContact O-N 3.31Å
228S94.6Very high95.4Very high91 Ų9170.4 Ų70.464%0.63639%0.388SS*.THydrogen-bonded Turntrans-54122.3-176.5-168.90000111.5M224 I230M224-S228 WeakPolarHBondContact O-CB 3.38Å; M224-S228 PolarHBondContact O-N 3.36Å; S228-I230 PolarHBondContact O-N 2.97Å
229G94Very high95.5Very high67 Ų6773.7 Ų73.769%0.69140%0.403SS*.THydrogen-bonded Turntrans74.61.8-179.400000115.8V227V227-G229 PolarHBondContact O-N 3.24Å
230I93.4Very high95.5Very high87 Ų8775.9 Ų75.945%0.44641%0.412SS..THydrogen-bonded Turntrans-118.8-46-177-54.5174.3000111.3L126 V227 S228L126-I230 HydrophobicContact CB-CD1 3.95Å; L126-I230 HydrophobicContact CD1-CB 4.03Å; L126-I230 HydrophobicContact CD1-CD1 4.19Å; L126-I230 HydrophobicContact CD1-CG2 3.76Å; V227-I230 PolarHBondContact O-N 2.98Å; S228-I230 PolarHBondContact O-N 2.97Å
231V91Very high95.5Very high54 Ų5475 Ų7533%0.32741%0.406SS..  trans-123.9122.2-178.2-1780000109.8L126 V227 M233L126-V231 HydrophobicContact CD1-CG2 3.88Å; V227-V231 HydrophobicContact CB-CB 4.16Å; V227-V231 HydrophobicContact CG1-CB 4.48Å; V227-V231 PolarHBondContact O-N 3.31Å; V231-M233 HydrophobicContact CG1-CB 4.09Å; V231-M233 HydrophobicContact CG1-CG 3.68Å; V231-M233 HydrophobicContact CG1-SD 3.74Å
232H90.8Very high95.6Very high173 Ų17367.4 Ų67.480%0.80137%0.371SS*.  trans-102.275178.5-62.9-74.5000110.5
233M90.3Very high95.8Very high111 Ų11166.5 Ų66.555%0.54736%0.364SS..  trans-128.6153.7178.1-67.717967.900110.6L217 V231L217-M233 HydrophobicContact CD2-CB 4.24Å; V231-M233 HydrophobicContact CG1-CB 4.09Å; V231-M233 HydrophobicContact CG1-CG 3.68Å; V231-M233 HydrophobicContact CG1-SD 3.74Å
234Q94.3Very high95.9Very high148 Ų14867.9 Ų67.969%0.69237%0.366SS*.PPolyproline II helixtrans-67.8135.4172.9-172.1172.88.600109.7S260Q234-S260 PolarHBondContact O-OG 3.41Å
235A96.9Very high95.9Very high25 Ų2563.9 Ų63.921%0.20735%0.346CS..PPolyproline II helixtrans-97.7135.1171.500000109.4L217 D219 M224L217-A235 HydrophobicContact CD2-CB 4.1Å; L217-A235 HydrophobicContact CG-CB 3.88Å; L217-A235 CarbonylContact O-C 3.54Å; L217-A235 VanDerWaalsContact O-CA 3.3Å; L217-A235 WeakPolarHBondContact O-CA 3.37Å; D219-A235 HydrophobicContact CB-CB 3.91Å; M224-A235 HydrophobicContact SD-CB 3.78Å
236A97.5Very high96Very high3 Ų355.6 Ų55.63%0.02531%0.31CS..BIsolated β-bridgetrans-80.5151.7173.900000111.1L217 I218 D219 K238 Y258L217-A236 PolarHBondContact O-N 3.1Å; I218-A236 WeakPolarHBondContact CA-O 3.43Å; I218-A236 HydrophobicContact CD1-CB 4.02Å; D219-A236 PolarHBondContact N-O 3.36Å; A236-K238 PolarHBondContact O-N 2.97Å; A236-Y258 HydrophobicContact CB-CD1 4.31Å; A236-Y258 HydrophobicContact CB-CE1 3.5Å; A236-Y258 VanDerWaalsContact CB-CE1 3.5Å
237P98.2Very high96.2Very high51 Ų5156.8 Ų56.833%0.33131%0.31SS..PPolyproline II helixtrans-67.6129.3-177.525.4-32.8000112.5E239 E240 C241 Y258P237-E239 VanDerWaalsContact C-N 3.29Å; P237-E239 PolarHBondContact O-N 3.39Å; P237-E240 HydrophobicContact CG-CB 4.11Å; P237-E240 PolarHBondContact O-N 3.42Å; P237-C241 WeakPolarHBondContact O-CB 3.27Å; P237-C241 PolarHBondContact O-N 3.35Å; P237-Y258 WeakPolarHBondContact CD-OH 3.45Å
238K98.5Very high96.3Very high42 Ų4255.9 Ų55.918%0.18330%0.304CS..Hα-helixtrans-63.2-30.1179.863.3-169.2177-143.50113.7I46 E49 I218 D219 T220 A236 A242I46-K238 HydrophobicContact CG1-CB 4.44Å; E49-K238 HydrophobicContact CG-CD 4.3Å; E49-K238 HydrophobicContact CG-CG 3.98Å; I218-K238 VanDerWaalsContact CG2-CA 3.48Å; I218-K238 HydrophobicContact CG2-CB 3.68Å; D219-K238 VanDerWaalsContact OD1-CB 3.24Å; D219-K238 WeakPolarHBondContact OD1-CB 3.39Å; D219-K238 VanDerWaalsContact OD1-CG 3.22Å; D219-K238 WeakPolarHBondContact OD1-CG 3.46Å; D219-K238 PolarHBondContact OD1-N 3.19Å; T220-K238 HydrophobicContact CG2-CB 4.23Å; A236-K238 PolarHBondContact O-N 2.97Å; K238-A242 VanDerWaalsContact O-CB 3.31Å; K238-A242 WeakPolarHBondContact O-CB 3.43Å; K238-A242 PolarHBondContact O-N 2.94Å
239E98.3Very high96.5Very high77 Ų7751.6 Ų51.636%0.3627%0.274SS..Hα-helixtrans-67.4-45.1-179.9-6475.8-166.900110.9E49 H53 P237 L243E49-E239 HydrophobicContact CG-CG 4.41Å; H53-E239 PolarHBondContact NE2-O 3.16Å; P237-E239 VanDerWaalsContact C-N 3.29Å; P237-E239 PolarHBondContact O-N 3.39Å; E239-L243 PolarHBondContact O-N 2.78Å
240E97.7Very high96.7Very high99 Ų9949.4 Ų49.446%0.46325%0.25SC..Hα-helixtrans-73.3-40.2176.3-174.8-175.2-159.500110.9P237 A242 L243 E244 Y258P237-E240 HydrophobicContact CG-CB 4.11Å; P237-E240 PolarHBondContact O-N 3.42Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 3.42Å; E240-L243 WeakPolarHBondContact O-CA 3.3Å; E240-L243 WeakPolarHBondContact O-CB 3.48Å; E240-L243 PolarHBondContact O-N 3.37Å; E240-E244 HydrophobicContact CG-CG 4.45Å; E240-E244 PolarHBondContact O-N 2.87Å; E240-Y258 WeakPolarHBondContact CB-OH 3.24Å; E240-Y258 HydrophobicContact CG-CE2 3.89Å; E240-Y258 PolarHBondContact OE2-OH 3.01Å
241C98.5Very high96.9Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-52.3-48.2173-176.70000112.1I218 P237 L243 E244 I245 Y258I218-C241 HydrophobicContact CD1-CB 4.12Å; I218-C241 HydrophobicContact CG2-CB 4.03Å; P237-C241 WeakPolarHBondContact O-CB 3.27Å; P237-C241 PolarHBondContact O-N 3.35Å; C241-L243 VanDerWaalsContact C-N 3.31Å; C241-L243 PolarHBondContact O-N 3.45Å; C241-E244 PolarHBondContact O-N 3.21Å; C241-I245 WeakPolarHBondContact O-CD1 3.21Å; C241-I245 VanDerWaalsContact O-CG1 3.27Å; C241-I245 WeakPolarHBondContact O-CG1 3.27Å; C241-I245 PolarHBondContact O-N 2.92Å; C241-I245 VanDerWaalsContact O-N 3.08Å; C241-Y258 HydrophobicContact CB-CD1 3.63Å; C241-Y258 HydrophobicContact CB-CE1 3.42Å; C241-Y258 VanDerWaalsContact CB-CE1 3.42Å
242A98.8Very high97.2Very high0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-60.6-39.8177.100000112.5I46 E49 M50 K238 E240 I246I46-A242 HydrophobicContact CG2-CB 4.22Å; E49-A242 HydrophobicContact CB-CB 3.62Å; M50-A242 HydrophobicContact CB-CB 4.38Å; M50-A242 HydrophobicContact CG-CB 3.55Å; K238-A242 VanDerWaalsContact O-CB 3.31Å; K238-A242 WeakPolarHBondContact O-CB 3.43Å; K238-A242 PolarHBondContact O-N 2.94Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 3.42Å; A242-I246 WeakPolarHBondContact O-CG1 3.18Å; A242-I246 PolarHBondContact O-N 3.1Å
243L98.5Very high97.5Very high39 Ų3944.3 Ų44.320%0.20422%0.218CC..Hα-helixtrans-65.4-46.7176.9-179.360.4000111.4F27 M57 E239 E240 C241 I245 I246 K247F27-L243 HydrophobicContact CE1-CD1 4.44Å; M57-L243 HydrophobicContact CE-CD1 3.59Å; E239-L243 PolarHBondContact O-N 2.78Å; E240-L243 WeakPolarHBondContact O-CA 3.3Å; E240-L243 WeakPolarHBondContact O-CB 3.48Å; E240-L243 PolarHBondContact O-N 3.37Å; C241-L243 VanDerWaalsContact C-N 3.31Å; C241-L243 PolarHBondContact O-N 3.45Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 PolarHBondContact O-N 2.64Å; L243-I246 PolarHBondContact O-N 2.83Å; L243-I246 VanDerWaalsContact O-N 3.11Å; L243-K247 HydrophobicContact CD1-CG 4.35Å; L243-K247 HydrophobicContact CG-CD 4.38Å; L243-K247 HydrophobicContact CG-CG 4.38Å; L243-K247 WeakPolarHBondContact O-CG 3.5Å; L243-K247 PolarHBondContact O-N 3.26Å
244E98.2Very high97.9Very high53 Ų5342.9 Ų42.925%0.24821%0.21CC..Hα-helixtrans-62.9-34.6179.5-67.7-53.8124.400112.8E240 C241 K247 G248 Y258E240-E244 HydrophobicContact CG-CG 4.45Å; E240-E244 PolarHBondContact O-N 2.87Å; C241-E244 PolarHBondContact O-N 3.21Å; E244-K247 PolarHBondContact O-N 2.91Å; E244-K247 WeakPolarHBondContact OE1-CD 3.22Å; E244-K247 IonicContact OE1-NZ 2.64Å; E244-K247 PolarHBondContact OE1-NZ 2.88Å; E244-G248 PolarHBondContact O-N 3.34Å; E244-Y258 HydrophobicContact CB-CD2 4.08Å; E244-Y258 HydrophobicContact CG-CD2 3.73Å; E244-Y258 HydrophobicContact CG-CE2 3.96Å
245I98.7Very high98.1Very high0 Ų037.2 Ų37.20%018%0.184CC..Hα-helixtrans-61.3-47.7171.7-67.9164.4000111I46 M50 V166 V168 C213 L215 C241 L243 G248 G249I46-I245 HydrophobicContact CG2-CD1 3.57Å; M50-I245 HydrophobicContact SD-CB 4.01Å; M50-I245 HydrophobicContact SD-CD1 4.11Å; M50-I245 HydrophobicContact SD-CG2 3.49Å; M50-I245 WeakPolarHBondContact SD-CG2 3.48Å; V166-I245 HydrophobicContact CG1-CG2 3.54Å; V168-I245 HydrophobicContact CG2-CD1 4.28Å; V168-I245 HydrophobicContact CG2-CG2 4.35Å; C213-I245 HydrophobicContact CB-CG1 4.13Å; L215-I245 HydrophobicContact CD1-CD1 3.92Å; L215-I245 HydrophobicContact CD2-CD1 4.19Å; L215-I245 HydrophobicContact CD2-CG1 4.2Å; C241-I245 WeakPolarHBondContact O-CD1 3.21Å; C241-I245 VanDerWaalsContact O-CG1 3.27Å; C241-I245 WeakPolarHBondContact O-CG1 3.27Å; C241-I245 PolarHBondContact O-N 2.92Å; C241-I245 VanDerWaalsContact O-N 3.08Å; L243-I245 VanDerWaalsContact C-N 3.29Å; L243-I245 PolarHBondContact O-N 2.64Å; I245-G248 PolarHBondContact O-N 2.93Å; I245-G249 PolarHBondContact O-N 2.9Å; I245-G249 VanDerWaalsContact O-N 3.09Å
246I98.7Very high98.1Very high0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-63.1-45.6178.6-68.5162.6000110.6F27 L32 M50 H53 L54 M57 A242 L243 G248 G249 A250F27-I246 HydrophobicContact CE2-CG2 4.42Å; L32-I246 HydrophobicContact CD2-CG2 4.14Å; L32-I246 HydrophobicContact CG-CG2 4.1Å; M50-I246 HydrophobicContact CB-CD1 4.19Å; M50-I246 HydrophobicContact CG-CD1 4.27Å; M50-I246 HydrophobicContact CG-CG1 4.34Å; H53-I246 HydrophobicContact CB-CD1 3.53Å; L54-I246 HydrophobicContact CD2-CD1 4.32Å; L54-I246 HydrophobicContact CD2-CG1 4.43Å; L54-I246 HydrophobicContact CD2-CG2 4.25Å; L54-I246 HydrophobicContact CG-CD1 3.92Å; L54-I246 HydrophobicContact CG-CG1 4.39Å; M57-I246 HydrophobicContact CE-CG2 4.42Å; M57-I246 HydrophobicContact SD-CG2 4.13Å; A242-I246 WeakPolarHBondContact O-CG1 3.18Å; A242-I246 PolarHBondContact O-N 3.1Å; L243-I246 PolarHBondContact O-N 2.83Å; L243-I246 VanDerWaalsContact O-N 3.11Å; I246-G248 PolarHBondContact O-N 3.21Å; I246-G249 PolarHBondContact O-N 3.31Å; I246-A250 WeakPolarHBondContact O-CB 3.4Å; I246-A250 PolarHBondContact O-N 3.03Å
247K98.3Very high98.1Very high54 Ų5438.2 Ų38.224%0.23518%0.182CC..Hα-helixtrans-56.6-50.7178-70.1-175.9-179159.90111.3F27 L243 E244 G249 A250 L251F27-K247 HydrophobicContact CB-CB 4.42Å; F27-K247 HydrophobicContact CB-CD 4.25Å; F27-K247 HydrophobicContact CB-CG 4.04Å; F27-K247 HydrophobicContact CD1-CD 4.13Å; F27-K247 HydrophobicContact CD1-CG 3.71Å; F27-K247 HydrophobicContact CD2-CB 4.02Å; F27-K247 HydrophobicContact CD2-CG 3.71Å; F27-K247 HydrophobicContact CE1-CG 4.01Å; F27-K247 HydrophobicContact CE2-CB 4.46Å; F27-K247 HydrophobicContact CE2-CG 3.99Å; F27-K247 HydrophobicContact CG-CB 4.17Å; F27-K247 HydrophobicContact CG-CD 4.13Å; F27-K247 HydrophobicContact CG-CG 3.54Å; F27-K247 HydrophobicContact CZ-CG 4.14Å; L243-K247 HydrophobicContact CD1-CG 4.35Å; L243-K247 HydrophobicContact CG-CD 4.38Å; L243-K247 HydrophobicContact CG-CG 4.38Å; L243-K247 WeakPolarHBondContact O-CG 3.5Å; L243-K247 PolarHBondContact O-N 3.26Å; E244-K247 PolarHBondContact O-N 2.91Å; E244-K247 WeakPolarHBondContact OE1-CD 3.22Å; E244-K247 IonicContact OE1-NZ 2.64Å; E244-K247 PolarHBondContact OE1-NZ 2.88Å; K247-G249 VanDerWaalsContact C-N 3.33Å; K247-G249 PolarHBondContact O-N 2.96Å; K247-A250 PolarHBondContact O-N 3.27Å; K247-L251 VanDerWaalsContact O-CB 3.32Å; K247-L251 WeakPolarHBondContact O-CB 3.29Å; K247-L251 VanDerWaalsContact O-CG 3.31Å; K247-L251 WeakPolarHBondContact O-CG 3.29Å; K247-L251 PolarHBondContact O-N 2.78Å
248G97.7Very high98.1Very high0 Ų036.9 Ų36.90%017%0.171CC..Hα-helixtrans-62.9-38.7-179.800000113.4T211 E244 I245 I246 R252 Q253T211-G248 PolarHBondContact OG1-O 3.21Å; E244-G248 PolarHBondContact O-N 3.34Å; I245-G248 PolarHBondContact O-N 2.93Å; I246-G248 PolarHBondContact O-N 3.21Å; G248-R252 PolarHBondContact O-N 2.71Å; G248-Q253 PolarHBondContact O-N 3.49Å
249G98.6Very high98Very high0 Ų035.7 Ų35.70%017%0.167CC..Hα-helixtrans-65.7-39.9174.800000113.7M115 S164 I245 I246 K247 R252M115-G249 VanDerWaalsContact CE-C 3.5Å; S164-G249 PolarHBondContact OG-O 2.84Å; I245-G249 PolarHBondContact O-N 2.9Å; I245-G249 VanDerWaalsContact O-N 3.09Å; I246-G249 PolarHBondContact O-N 3.31Å; K247-G249 VanDerWaalsContact C-N 3.33Å; K247-G249 PolarHBondContact O-N 2.96Å; G249-R252 PolarHBondContact O-N 3.42Å
250A98.2Very high97.9Very high22 Ų2234.2 Ų34.218%0.18217%0.165CC..Hα-helixtrans-71-41.7178.400000112.1F27 L32 M115 I246 K247 R252F27-A250 HydrophobicContact CD2-CB 4.18Å; F27-A250 HydrophobicContact CE2-CB 4.03Å; L32-A250 HydrophobicContact CD2-CB 3.62Å; M115-A250 HydrophobicContact CE-CB 4.41Å; I246-A250 WeakPolarHBondContact O-CB 3.4Å; I246-A250 PolarHBondContact O-N 3.03Å; K247-A250 PolarHBondContact O-N 3.27Å; A250-R252 PolarHBondContact O-N 3.41Å
251L97.6Very high97.7Very high37 Ų3731.4 Ų31.419%0.19416%0.156CC..THydrogen-bonded Turntrans-77.13173.8-64.4178000113.2E25 F27 M31 K247 Q253E25-L251 HydrophobicContact CB-CD2 3.91Å; E25-L251 VanDerWaalsContact O-CD2 3.24Å; E25-L251 WeakPolarHBondContact O-CD2 3.43Å; F27-L251 HydrophobicContact CB-CD1 4.14Å; F27-L251 HydrophobicContact CB-CG 4.39Å; M31-L251 HydrophobicContact CE-CD2 3.97Å; M31-L251 HydrophobicContact SD-CD2 4.11Å; K247-L251 VanDerWaalsContact O-CB 3.32Å; K247-L251 WeakPolarHBondContact O-CB 3.29Å; K247-L251 VanDerWaalsContact O-CG 3.31Å; K247-L251 WeakPolarHBondContact O-CG 3.29Å; K247-L251 PolarHBondContact O-N 2.78Å; L251-Q253 HydrophobicContact CB-CG 4.05Å; L251-Q253 PolarHBondContact O-N 3.24Å; L251-Q253 VanDerWaalsContact O-N 3.14Å
252R97.9Very high97.4Very high88 Ų8838 Ų3833%0.33219%0.191SC..THydrogen-bonded Turntrans5631176.5-53.5177.569.580.1-15.6113.5N162 G163 S164 N207 S209 G248 G249 A250N162-R252 PolarHBondContact O-NH1 2.99Å; N162-R252 PolarHBondContact O-NH2 3.32Å; G163-R252 PolarHBondContact O-NH1 3.29Å; S164-R252 PolarHBondContact OG-NH1 3.3Å; N207-R252 PolarHBondContact O-NH2 2.74Å; N207-R252 PolarHBondContact OD1-NH2 2.87Å; S209-R252 PolarHBondContact OG-NH1 3Å; G248-R252 PolarHBondContact O-N 2.71Å; G249-R252 PolarHBondContact O-N 3.42Å; A250-R252 PolarHBondContact O-N 3.41Å
253Q96.9Very high97.2Very high82 Ų8247.1 Ų47.138%0.38323%0.225SC..  trans-66.4141.9179-65.7175.9-5.500110.3T211 G248 L251 E255T211-Q253 VanDerWaalsContact CA-O 3.25Å; T211-Q253 WeakPolarHBondContact CA-O 3.25Å; T211-Q253 WeakPolarHBondContact CB-O 3.42Å; T211-Q253 WeakPolarHBondContact CG2-O 3.27Å; T211-Q253 PolarHBondContact OG1-O 2.87Å; G248-Q253 PolarHBondContact O-N 3.49Å; L251-Q253 HydrophobicContact CB-CG 4.05Å; L251-Q253 PolarHBondContact O-N 3.24Å; L251-Q253 VanDerWaalsContact O-N 3.14Å; Q253-E255 VanDerWaalsContact C-N 3.34Å; Q253-E255 PolarHBondContact O-N 3.24Å
254E97.9Very high97Very high81 Ų8146.9 Ų46.938%0.37923%0.226SC..SBendtrans-66.6-37.8177.8-64.4-164.6153.900112.2R198 T211 L212 K274R198-E254 WeakPolarHBondContact CD-OE1 3.49Å; R198-E254 PolarHBondContact NH2-O 3.33Å; T211-E254 WeakPolarHBondContact CA-O 3.4Å; L212-E254 PolarHBondContact N-O 3.37Å; E254-K274 IonicContact OE2-NZ 3.91Å; E254-K274 PolarHBondContact OE2-NZ 2.96Å
255E97.8Very high96.6Very high29 Ų2945.5 Ų45.514%0.13622%0.221CC..EExtended strand (participates in β ladder)trans-142.5139.3-177-61.2-177.1138.200111.1K174 L212 Q253 Y257K174-E255 IonicContact NZ-OE1 2.63Å; K174-E255 PolarHBondContact NZ-OE1 3.4Å; L212-E255 HydrophobicContact CB-CG 4.38Å; L212-E255 VanDerWaalsContact O-CA 3.22Å; L212-E255 WeakPolarHBondContact O-CA 3.45Å; Q253-E255 VanDerWaalsContact C-N 3.34Å; Q253-E255 PolarHBondContact O-N 3.24Å; E255-Y257 HydrophobicContact CB-CD2 4.49Å; E255-Y257 HydrophobicContact CB-CE2 3.73Å; E255-Y257 VanDerWaalsContact CD-OH 3.23Å; E255-Y257 PolarHBondContact OE2-OH 3.26Å
256V97.7Very high96.2Very high7 Ų750.5 Ų50.54%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-114.3135171.7174.10000108T211 L212 C213 V214T211-V256 HydrophobicContact CG2-CG2 3.64Å; L212-V256 PolarHBondContact O-N 3.33Å; C213-V256 CarbonylContact C-O 3.51Å; C213-V256 WeakPolarHBondContact CA-O 3.44Å; C213-V256 HydrophobicContact CB-CB 4.32Å; V214-V256 PolarHBondContact N-O 3.04Å
257Y97.6Very high96.1Very high41 Ų4157.4 Ų57.416%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-120.5119.4177.6-62.6-82.6000108.8V214 E255 I268 R269V214-Y257 HydrophobicContact CB-CD1 3.66Å; V214-Y257 HydrophobicContact CB-CE1 3.86Å; V214-Y257 HydrophobicContact CG1-CD1 4.05Å; V214-Y257 HydrophobicContact CG1-CE1 4.18Å; V214-Y257 HydrophobicContact CG2-CD1 4.14Å; V214-Y257 HydrophobicContact CG2-CE1 3.83Å; E255-Y257 HydrophobicContact CB-CD2 4.49Å; E255-Y257 HydrophobicContact CB-CE2 3.73Å; E255-Y257 VanDerWaalsContact CD-OH 3.23Å; E255-Y257 PolarHBondContact OE2-OH 3.26Å; Y257-I268 HydrophobicContact CD1-CB 4.49Å; Y257-I268 HydrophobicContact CD1-CG1 4.49Å; Y257-I268 HydrophobicContact CD1-CG2 3.27Å; Y257-I268 HydrophobicContact CE1-CB 4.43Å; Y257-I268 HydrophobicContact CE1-CG1 4.25Å; Y257-I268 HydrophobicContact CE1-CG2 3.49Å; Y257-I268 VanDerWaalsContact CE1-CG2 3.49Å; Y257-I268 HydrophobicContact CG-CG2 4.11Å; Y257-R269 HydrophobicContact CD2-CG 4.33Å; Y257-R269 HydrophobicContact CE2-CG 3.95Å
258Y97.8Very high95.9Very high23 Ų2355.8 Ų55.89%0.0928%0.277CS..EExtended strand (participates in β ladder)trans-137.7117.5-179.8-174.4-94.2000110.2V214 L215 G216 I218 A236 P237 E240 C241 E244V214-Y258 PolarHBondContact O-N 3.3Å; L215-Y258 WeakPolarHBondContact CA-O 3.3Å; G216-Y258 PolarHBondContact N-O 3.09Å; I218-Y258 HydrophobicContact CD1-CD1 3.75Å; I218-Y258 HydrophobicContact CD1-CE1 3.93Å; A236-Y258 HydrophobicContact CB-CD1 4.31Å; A236-Y258 HydrophobicContact CB-CE1 3.5Å; A236-Y258 VanDerWaalsContact CB-CE1 3.5Å; P237-Y258 WeakPolarHBondContact CD-OH 3.45Å; E240-Y258 WeakPolarHBondContact CB-OH 3.24Å; E240-Y258 HydrophobicContact CG-CE2 3.89Å; E240-Y258 PolarHBondContact OE2-OH 3.01Å; C241-Y258 HydrophobicContact CB-CD1 3.63Å; C241-Y258 HydrophobicContact CB-CE1 3.42Å; C241-Y258 VanDerWaalsContact CB-CE1 3.42Å; E244-Y258 HydrophobicContact CB-CD2 4.08Å; E244-Y258 HydrophobicContact CG-CD2 3.73Å; E244-Y258 HydrophobicContact CG-CE2 3.96Å
259D97Very high95.6Very high18 Ų1862.7 Ų62.710%0.09630%0.303CS..  trans-152.5157.4-179.7-176.362.1000108.9G216 S261 T264 T265G216-D259 VanDerWaalsContact CA-OD1 3.23Å; G216-D259 WeakPolarHBondContact CA-OD1 3.34Å; D259-S261 PolarHBondContact O-N 2.87Å; D259-S261 WeakPolarHBondContact OD2-CA 3.23Å; D259-S261 VanDerWaalsContact OD2-CB 3.31Å; D259-S261 WeakPolarHBondContact OD2-CB 3.38Å; D259-S261 PolarHBondContact OD2-N 3.28Å; D259-T264 HydrophobicContact CB-CG2 4.3Å; D259-T264 WeakPolarHBondContact OD2-CB 3.31Å; D259-T264 PolarHBondContact OD2-OG1 2.91Å; D259-T265 HydrophobicContact CB-CG2 4.03Å
260S95.4Very high95.4Very high45 Ų4567 Ų6732%0.31533%0.326SS..SBendtrans-67.1-21.9176560000113Q234Q234-S260 PolarHBondContact O-OG 3.41Å
261S94.8Very high95.2Very high41 Ų4170 Ų7029%0.28734%0.343SS..  trans-105.6118.8179.4170.90000111.6D259 W263 T264 T265D259-S261 PolarHBondContact O-N 2.87Å; D259-S261 WeakPolarHBondContact OD2-CA 3.23Å; D259-S261 VanDerWaalsContact OD2-CB 3.31Å; D259-S261 WeakPolarHBondContact OD2-CB 3.38Å; D259-S261 PolarHBondContact OD2-N 3.28Å; S261-W263 PolarHBondContact O-N 3.45Å; S261-W263 PolarHBondContact OG-N 3.08Å; S261-T264 WeakPolarHBondContact CB-OG1 3.47Å; S261-T264 WeakPolarHBondContact O-CB 3.12Å; S261-T264 PolarHBondContact O-N 3.34Å; S261-T264 VanDerWaalsContact O-N 3.09Å; S261-T264 PolarHBondContact OG-N 3.11Å; S261-T264 PolarHBondContact OG-OG1 3.23Å; S261-T265 PolarHBondContact O-N 3.12Å
262L92.5Very high95.1Very high138 Ų13872.6 Ų72.672%0.72336%0.364SS*.Hα-helixtrans-58.4-34172.8-68.7174.4000111.9T264 T265 L266L262-T264 VanDerWaalsContact C-N 3.31Å; L262-T264 PolarHBondContact O-N 3.25Å; L262-T265 PolarHBondContact O-N 3.39Å; L262-T265 PolarHBondContact O-OG1 3.47Å; L262-L266 WeakPolarHBondContact O-CG 3.41Å; L262-L266 PolarHBondContact O-N 2.85Å
263W94.6Very high95Very high192 Ų19271.4 Ų71.473%0.72736%0.359SS*.Hα-helixtrans-60.3-41.4176-66111.1000112.2S261 L266 L267S261-W263 PolarHBondContact O-N 3.45Å; S261-W263 PolarHBondContact OG-N 3.08Å; W263-L266 HydrophobicContact CE3-CD1 4.33Å; W263-L266 PolarHBondContact O-N 3.02Å; W263-L267 WeakPolarHBondContact O-CB 3.45Å; W263-L267 WeakPolarHBondContact O-CG 3.5Å; W263-L267 PolarHBondContact O-N 2.87Å
264T93.5Very high94.9Very high34 Ų3470.7 Ų70.721%0.20936%0.355CS..Hα-helixtrans-60.4-47.9175.4-49.60000110.3L171 D259 S261 L262 L266 L267 I268L171-T264 HydrophobicContact CD1-CG2 3.56Å; L171-T264 HydrophobicContact CD2-CG2 3.63Å; L171-T264 HydrophobicContact CG-CG2 4.27Å; D259-T264 HydrophobicContact CB-CG2 4.3Å; D259-T264 WeakPolarHBondContact OD2-CB 3.31Å; D259-T264 PolarHBondContact OD2-OG1 2.91Å; S261-T264 WeakPolarHBondContact CB-OG1 3.47Å; S261-T264 WeakPolarHBondContact O-CB 3.12Å; S261-T264 PolarHBondContact O-N 3.34Å; S261-T264 VanDerWaalsContact O-N 3.09Å; S261-T264 PolarHBondContact OG-N 3.11Å; S261-T264 PolarHBondContact OG-OG1 3.23Å; L262-T264 VanDerWaalsContact C-N 3.31Å; L262-T264 PolarHBondContact O-N 3.25Å; T264-L266 VanDerWaalsContact C-N 3.25Å; T264-L266 PolarHBondContact O-N 3.35Å; T264-L267 PolarHBondContact O-N 3.21Å; T264-I268 VanDerWaalsContact O-CB 3.27Å; T264-I268 WeakPolarHBondContact O-CB 3.34Å; T264-I268 WeakPolarHBondContact O-CG2 3.35Å; T264-I268 PolarHBondContact O-N 3.44Å
265T89.9Confident94.7Very high24 Ų2471.8 Ų71.815%0.14736%0.362CS..Hα-helixtrans-64.3-28-179.469.40000113.6D259 S261 L262D259-T265 HydrophobicContact CB-CG2 4.03Å; S261-T265 PolarHBondContact O-N 3.12Å; L262-T265 PolarHBondContact O-N 3.39Å; L262-T265 PolarHBondContact O-OG1 3.47Å
266L91Very high94.6Very high104 Ų10474.8 Ų74.855%0.54538%0.379SS..Hα-helixtrans-76.3-48.3175-72.4169.4000111.7L262 W263 T264L262-L266 WeakPolarHBondContact O-CG 3.41Å; L262-L266 PolarHBondContact O-N 2.85Å; W263-L266 HydrophobicContact CE3-CD1 4.33Å; W263-L266 PolarHBondContact O-N 3.02Å; T264-L266 VanDerWaalsContact C-N 3.25Å; T264-L266 PolarHBondContact O-N 3.35Å
267L94.9Very high94.4Very high145 Ų14576.8 Ų76.876%0.75939%0.387SS*.Hα-helixtrans-75.6-26.2-173.5-69.4174000113.8W263 T264 R269W263-L267 WeakPolarHBondContact O-CB 3.45Å; W263-L267 WeakPolarHBondContact O-CG 3.5Å; W263-L267 PolarHBondContact O-N 2.87Å; T264-L267 PolarHBondContact O-N 3.21Å; L267-R269 PolarHBondContact O-N 2.86Å
268I94.2Very high94.2Very high20 Ų2081.9 Ų81.910%0.10341%0.411CS..THydrogen-bonded Turntrans-73.2-19-178.6-162.164.5000113L171 K174 V175 V214 Y257 T264L171-I268 HydrophobicContact CD2-CB 4.32Å; L171-I268 HydrophobicContact CD2-CD1 3.96Å; L171-I268 HydrophobicContact CD2-CG1 3.78Å; K174-I268 HydrophobicContact CB-CD1 3.64Å; K174-I268 HydrophobicContact CB-CG1 4.09Å; K174-I268 HydrophobicContact CG-CD1 4.48Å; K174-I268 HydrophobicContact CG-CG1 4.41Å; V175-I268 HydrophobicContact CG1-CD1 3.77Å; V175-I268 HydrophobicContact CG2-CD1 4.24Å; V214-I268 HydrophobicContact CG1-CG1 4.11Å; Y257-I268 HydrophobicContact CD1-CB 4.49Å; Y257-I268 HydrophobicContact CD1-CG1 4.49Å; Y257-I268 HydrophobicContact CD1-CG2 3.27Å; Y257-I268 HydrophobicContact CE1-CB 4.43Å; Y257-I268 HydrophobicContact CE1-CG1 4.25Å; Y257-I268 HydrophobicContact CE1-CG2 3.49Å; Y257-I268 VanDerWaalsContact CE1-CG2 3.49Å; Y257-I268 HydrophobicContact CG-CG2 4.11Å; T264-I268 VanDerWaalsContact O-CB 3.27Å; T264-I268 WeakPolarHBondContact O-CB 3.34Å; T264-I268 WeakPolarHBondContact O-CG2 3.35Å; T264-I268 PolarHBondContact O-N 3.44Å
269R92.4Very high93.9Very high146 Ų14685.6 Ų85.655%0.55143%0.432SS*.  trans-68.8133.6176.2-67.4179.3177.5-165.1-1.5109.4Y257 L267 P271Y257-R269 HydrophobicContact CD2-CG 4.33Å; Y257-R269 HydrophobicContact CE2-CG 3.95Å; L267-R269 PolarHBondContact O-N 2.86Å; R269-P271 WeakPolarHBondContact O-CD 3.36Å
270N94.4Very high93.7Very high91 Ų9191.2 Ų91.249%0.48745%0.452SS..  trans-114.382.1-179.3-169.4-23.3000111.1C272 R273 K274N270-C272 VanDerWaalsContact C-N 3.27Å; N270-C272 PolarHBondContact O-N 2.93Å; N270-C272 PolarHBondContact OD1-N 3.32Å; N270-R273 HydrophobicContact CB-CB 4.14Å; N270-R273 PolarHBondContact O-N 2.73Å; N270-R273 PolarHBondContact OD1-N 3.3Å; N270-K274 PolarHBondContact O-N 3.41Å
271P93.9Very high93.4Very high84 Ų8492.3 Ų92.355%0.54546%0.46SS..Hα-helixtrans-63.5-32.6-179.825.2-33.8000112.5R269 R273 K274 I275R269-P271 WeakPolarHBondContact O-CD 3.36Å; P271-R273 VanDerWaalsContact C-N 3.33Å; P271-R273 PolarHBondContact O-N 3.18Å; P271-K274 PolarHBondContact O-N 2.98Å; P271-I275 WeakPolarHBondContact O-CG1 3.39Å; P271-I275 PolarHBondContact O-N 3.26Å
272C95.9Very high92.9Very high92 Ų9296 Ų9662%0.62248%0.481SS*.Hα-helixtrans-59.8-42.5177.3-63.20000112N270 I275 L276N270-C272 VanDerWaalsContact C-N 3.27Å; N270-C272 PolarHBondContact O-N 2.93Å; N270-C272 PolarHBondContact OD1-N 3.32Å; C272-I275 PolarHBondContact O-N 2.91Å; C272-L276 WeakPolarHBondContact O-CB 3.3Å; C272-L276 PolarHBondContact O-N 3.29Å
273R96.1Very high92.7Very high63 Ų6393.5 Ų93.524%0.23848%0.475CS..Hα-helixtrans-58.8-47.8173.9172.5179.5166.1-178-6111.6D191 S195 N270 P271 I275 L276 E277D191-R273 VanDerWaalsContact CG-NH1 3.28Å; D191-R273 IonicContact OD1-CZ 2.69Å; D191-R273 IonicContact OD1-NH1 3.22Å; D191-R273 PolarHBondContact OD1-NH1 3.38Å; D191-R273 VanDerWaalsContact OD1-NH1 3.09Å; D191-R273 IonicContact OD1-NH2 2.71Å; D191-R273 PolarHBondContact OD1-NH2 3.33Å; D191-R273 IonicContact OD2-CZ 2.89Å; D191-R273 IonicContact OD2-NH1 3.57Å; D191-R273 PolarHBondContact OD2-NH1 3.46Å; D191-R273 IonicContact OD2-NH2 2.88Å; S195-R273 PolarHBondContact OG-NH2 3.1Å; N270-R273 HydrophobicContact CB-CB 4.14Å; N270-R273 PolarHBondContact O-N 2.73Å; N270-R273 PolarHBondContact OD1-N 3.3Å; P271-R273 VanDerWaalsContact C-N 3.33Å; P271-R273 PolarHBondContact O-N 3.18Å; R273-I275 PolarHBondContact O-N 3.42Å; R273-L276 PolarHBondContact O-N 3.09Å; R273-E277 HydrophobicContact CG-CG 4.33Å; R273-E277 WeakPolarHBondContact CG-OE1 3.22Å; R273-E277 IonicContact CZ-OE1 2.85Å; R273-E277 IonicContact NE-OE1 3.74Å; R273-E277 PolarHBondContact NE-OE1 2.92Å; R273-E277 IonicContact NH2-OE1 3.09Å; R273-E277 WeakPolarHBondContact O-CB 3.26Å; R273-E277 WeakPolarHBondContact O-CG 3.43Å; R273-E277 PolarHBondContact O-N 3.36Å
274K93.9Very high92.4Very high66 Ų6692 Ų9229%0.28747%0.47SS..Hα-helixtrans-62.6-41.9-179.4-65.7-66.8-172.9-177.20112E254 N270 P271 F278E254-K274 IonicContact OE2-NZ 3.91Å; E254-K274 PolarHBondContact OE2-NZ 2.96Å; N270-K274 PolarHBondContact O-N 3.41Å; P271-K274 PolarHBondContact O-N 2.98Å; K274-F278 WeakPolarHBondContact O-CB 3.21Å; K274-F278 PolarHBondContact O-N 3.13Å
275I93.5Very high92Very high105 Ų10595.5 Ų95.554%0.53849%0.488SS..Hα-helixtrans-61.3-47.4175.3-67.5165.2000110.2P271 C272 R273 F278 L279P271-I275 WeakPolarHBondContact O-CG1 3.39Å; P271-I275 PolarHBondContact O-N 3.26Å; C272-I275 PolarHBondContact O-N 2.91Å; R273-I275 PolarHBondContact O-N 3.42Å; I275-F278 PolarHBondContact O-N 3.12Å; I275-L279 HydrophobicContact CG2-CD1 4.02Å; I275-L279 HydrophobicContact CG2-CG 4.44Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 3.15Å
276L94.8Very high91.7Very high92 Ų9297.1 Ų97.148%0.48250%0.495SS..Hα-helixtrans-64.6-45.2-178.6-166.864.7000112.3C272 R273 F278 L279 Y280C272-L276 WeakPolarHBondContact O-CB 3.3Å; C272-L276 PolarHBondContact O-N 3.29Å; R273-L276 PolarHBondContact O-N 3.09Å; L276-F278 VanDerWaalsContact C-N 3.3Å; L276-F278 PolarHBondContact O-N 3.09Å; L276-L279 PolarHBondContact O-N 3.44Å; L276-Y280 HydrophobicContact CD1-CD2 3.97Å; L276-Y280 HydrophobicContact CD1-CE2 3.41Å; L276-Y280 VanDerWaalsContact CD1-CE2 3.41Å; L276-Y280 HydrophobicContact CD2-CE2 4.32Å; L276-Y280 HydrophobicContact CG-CD2 3.87Å; L276-Y280 HydrophobicContact CG-CE2 3.66Å; L276-Y280 VanDerWaalsContact O-CD2 3.23Å; L276-Y280 WeakPolarHBondContact O-CD2 3.46Å; L276-Y280 PolarHBondContact O-N 3.06Å; L276-Y280 VanDerWaalsContact O-N 3.1Å
277E95.1Very high91.3Very high48 Ų4897.2 Ų97.222%0.22450%0.496CS..Hα-helixtrans-58.1-42174.2-74.4175-171.400111.9K199 R273 S281K199-E277 WeakPolarHBondContact CE-OE2 3.4Å; K199-E277 IonicContact NZ-OE2 3.43Å; K199-E277 PolarHBondContact NZ-OE2 3.35Å; R273-E277 HydrophobicContact CG-CG 4.33Å; R273-E277 WeakPolarHBondContact CG-OE1 3.22Å; R273-E277 IonicContact CZ-OE1 2.85Å; R273-E277 IonicContact NE-OE1 3.74Å; R273-E277 PolarHBondContact NE-OE1 2.92Å; R273-E277 IonicContact NH2-OE1 3.09Å; R273-E277 WeakPolarHBondContact O-CB 3.26Å; R273-E277 WeakPolarHBondContact O-CG 3.43Å; R273-E277 PolarHBondContact O-N 3.36Å; E277-S281 PolarHBondContact O-N 2.78Å; E277-S281 VanDerWaalsContact O-N 3.08Å
278F92.1Very high90.7Very high148 Ų14899.8 Ų99.865%0.64950%0.495SS*.Hα-helixtrans-63.7-47.3177.7176.7-98.8000111.6K274 I275 L276 Y280 S281K274-F278 WeakPolarHBondContact O-CB 3.21Å; K274-F278 PolarHBondContact O-N 3.13Å; I275-F278 PolarHBondContact O-N 3.12Å; L276-F278 VanDerWaalsContact C-N 3.3Å; L276-F278 PolarHBondContact O-N 3.09Å; F278-Y280 VanDerWaalsContact C-N 3.3Å; F278-Y280 PolarHBondContact O-N 2.9Å; F278-S281 WeakPolarHBondContact O-CB 3.3Å; F278-S281 PolarHBondContact O-N 2.93Å; F278-S281 VanDerWaalsContact O-N 3.16Å; F278-S281 PolarHBondContact O-OG 3.47Å
279L92.6Very high90.3Very high102 Ų102106 Ų10653%0.53452%0.522SS..Hα-helixtrans-60.6-38.1179.3-69.9173.2000112.6I275 L276 T282I275-L279 HydrophobicContact CG2-CD1 4.02Å; I275-L279 HydrophobicContact CG2-CG 4.44Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 3.15Å; L276-L279 PolarHBondContact O-N 3.44Å; L279-T282 PolarHBondContact O-OG1 3.23Å
280Y92.7Very high89.6Confident135 Ų135102 Ų10253%0.52951%0.511SS..Hα-helixtrans-81-16.2178.1-75-62.5000114.2L276 F278 T282 S283 Y284L276-Y280 HydrophobicContact CD1-CD2 3.97Å; L276-Y280 HydrophobicContact CD1-CE2 3.41Å; L276-Y280 VanDerWaalsContact CD1-CE2 3.41Å; L276-Y280 HydrophobicContact CD2-CE2 4.32Å; L276-Y280 HydrophobicContact CG-CD2 3.87Å; L276-Y280 HydrophobicContact CG-CE2 3.66Å; L276-Y280 VanDerWaalsContact O-CD2 3.23Å; L276-Y280 WeakPolarHBondContact O-CD2 3.46Å; L276-Y280 PolarHBondContact O-N 3.06Å; L276-Y280 VanDerWaalsContact O-N 3.1Å; F278-Y280 VanDerWaalsContact C-N 3.3Å; F278-Y280 PolarHBondContact O-N 2.9Å; Y280-T282 PolarHBondContact O-N 2.85Å; Y280-S283 WeakPolarHBondContact O-CB 3.47Å; Y280-S283 PolarHBondContact O-N 3.38Å; Y280-S283 VanDerWaalsContact O-N 3.09Å; Y280-Y284 WeakPolarHBondContact O-CD2 3.35Å
281S89Confident88.2Confident69 Ų69103.9 Ų103.948%0.48352%0.521SS..Hα-helixtrans-61.9-28.4-176.769.70000113.7E277 F278E277-S281 PolarHBondContact O-N 2.78Å; E277-S281 VanDerWaalsContact O-N 3.08Å; F278-S281 WeakPolarHBondContact O-CB 3.3Å; F278-S281 PolarHBondContact O-N 2.93Å; F278-S281 VanDerWaalsContact O-N 3.16Å; F278-S281 PolarHBondContact O-OG 3.47Å
282T83.5Confident86.4Confident117 Ų117111.1 Ų111.172%0.71854%0.544SS*.THydrogen-bonded Turntrans-89-10.4178.3550000113.7L279 Y280 Y284L279-T282 PolarHBondContact O-OG1 3.23Å; Y280-T282 PolarHBondContact O-N 2.85Å; T282-Y284 VanDerWaalsContact C-N 3.29Å; T282-Y284 PolarHBondContact O-N 2.78Å
283S89.1Confident85.9Confident86 Ų86112.1 Ų112.160%0.60154%0.54SS*.SBendtrans-78-13.2-177.9-57.40000113.5Y280Y280-S283 WeakPolarHBondContact O-CB 3.47Å; Y280-S283 PolarHBondContact O-N 3.38Å; Y280-S283 VanDerWaalsContact O-N 3.09Å
284Y87.1Confident85.4Confident160 Ų160114.7 Ų114.763%0.62756%0.556SS**SBendtrans-94.7132.1-177.4-69.2-83.2000112.2Y280 T282 M286Y280-Y284 WeakPolarHBondContact O-CD2 3.35Å; T282-Y284 VanDerWaalsContact C-N 3.29Å; T282-Y284 PolarHBondContact O-N 2.78Å; Y284-M286 PolarHBondContact O-N 3.02Å
285N85.2Confident84.9Confident109 Ų109117.4 Ų117.458%0.58357%0.571SS**  trans-83.495.6165-174.7-24.5000109.6D287N285-D287 WeakPolarHBondContact OD1-CB 3.43Å; N285-D287 PolarHBondContact OD1-N 3.29Å; N285-D287 PolarHBondContact OD1-OD2 3.06Å
286M85.5Confident84.4Confident58 Ų58118.1 Ų118.129%0.28657%0.573SS.*  trans-86.4-2.1-177.5-62-55.6-122.500114.3V203 Y284 R288 F289 I290V203-M286 HydrophobicContact CB-CE 4.45Å; V203-M286 HydrophobicContact CG1-CE 4.23Å; V203-M286 HydrophobicContact CG1-CG 4.45Å; V203-M286 HydrophobicContact CG2-CE 3.86Å; Y284-M286 PolarHBondContact O-N 3.02Å; M286-R288 PolarHBondContact O-N 2.96Å; M286-R288 VanDerWaalsContact O-N 3.08Å; M286-F289 PolarHBondContact O-N 3.22Å; M286-F289 HydrophobicContact SD-CD2 4.44Å; M286-I290 HydrophobicContact CB-CD1 3.54Å; M286-I290 HydrophobicContact CB-CG1 4.16Å; M286-I290 PolarHBondContact O-N 3.23Å; M286-I290 VanDerWaalsContact O-N 3.16Å
287D81.9Confident83.7Confident106 Ų106119.8 Ų119.857%0.56758%0.578SS**Hα-helixtrans-59.6-27.8-176.4-65.2-30.8000112.7N285 F289 N291N285-D287 WeakPolarHBondContact OD1-CB 3.43Å; N285-D287 PolarHBondContact OD1-N 3.29Å; N285-D287 PolarHBondContact OD1-OD2 3.06Å; D287-F289 VanDerWaalsContact C-N 3.26Å; D287-F289 PolarHBondContact O-N 3Å; D287-N291 PolarHBondContact O-ND2 2.95Å
288R82.9Confident83Confident198 Ų198124.5 Ų124.575%0.74760%0.602SS**Hα-helixtrans-68.6-19.9177.4-69.6-173.4177.8-173.50.2114.4M286M286-R288 PolarHBondContact O-N 2.96Å; M286-R288 VanDerWaalsContact O-N 3.08Å
289F84Confident82.3Confident150 Ų150122.9 Ų122.966%0.65860%0.599SS**Hα-helixtrans-114.9-29.7-171.4-57.8-77.2000113.1M286 D287M286-F289 PolarHBondContact O-N 3.22Å; M286-F289 HydrophobicContact SD-CD2 4.44Å; D287-F289 VanDerWaalsContact C-N 3.26Å; D287-F289 PolarHBondContact O-N 3Å
290I78.9Confident81.5Confident63 Ų63124.5 Ų124.532%0.32360%0.604SS.*Hα-helixtrans-82.6-29.8-177.3-58.4165.8000111.8V203 M286 K292V203-I290 HydrophobicContact CB-CD1 4.13Å; V203-I290 VanDerWaalsContact O-CD1 3.3Å; V203-I290 WeakPolarHBondContact O-CD1 3.32Å; M286-I290 HydrophobicContact CB-CD1 3.54Å; M286-I290 HydrophobicContact CB-CG1 4.16Å; M286-I290 PolarHBondContact O-N 3.23Å; M286-I290 VanDerWaalsContact O-N 3.16Å; I290-K292 VanDerWaalsContact C-N 3.34Å; I290-K292 PolarHBondContact O-N 3.31Å
291N64.1Low80.6Confident130 Ų130123.6 Ų123.670%0.69561%0.61SS**THydrogen-bonded Turntrans-92.921.6-175.5-63.8-40.3000114.1D287D287-N291 PolarHBondContact O-ND2 2.95Å
292K56.4Low79.9Confident237 Ų237128.5 Ų128.5100%1.0362%0.621SS**  trans-103.90172.2-74.8-173.9178.3-176.60110I290I290-K292 VanDerWaalsContact C-N 3.34Å; I290-K292 PolarHBondContact O-N 3.31Å

Retrieved 292 of 292 residues in 92.7 ms (Link to these results)

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