A0A096NQL3_PAPAN Loading...

Ankyrin repeat and SOCS box containing 5

AlphaFold DB , UniProt , Accession A0A096NQL3, Species PAPAN (Papio anubis, Olive baboon), Gene ASB5, Length 329 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
1M41.8Very low46.5Very low249 Ų249155.5 Ų155.5100%1.22781%0.811SS**  095.70-88.7158.160.300107.7
2S35.8Very low46.9Very low118 Ų118153.7 Ų153.783%0.82580%0.795SS**  trans-139.1130.1176.1510000108.4
3V40.6Very low47.3Very low134 Ų134152.2 Ų152.281%0.81278%0.783SS**  trans-63.6136.1-167.2172.80000111.7
4L41.8Very low47.4Very low175 Ų175146.9 Ų146.992%0.91676%0.756SS**  trans-83.9108.3166.6-76.3164.5000108.2
5E43.8Very low48.2Very low182 Ų182141.9 Ų141.985%0.8574%0.739SS**  trans-77.9126.1168.1-86.7179148.100110.6N7E5-N7 PolarHBondContact O-N 2.88Å
6E48.4Very low49.1Very low168 Ų168139.7 Ų139.779%0.78573%0.728SS**  trans-66.4110.2175.3-100.7179.216600111.7R8E6-R8 PolarHBondContact O-N 2.87Å
7N47.1Very low50.4Low166 Ų166135.8 Ų135.889%0.88871%0.712SS**  trans-77.198167-94.5-30.1000110.5E5E5-N7 PolarHBondContact O-N 2.88Å
8R55.4Low51.4Low205 Ų205137.3 Ų137.377%0.77471%0.708SS**  trans-75.4136.8164-71.9-174.4-172-174.82.8110.1E6 F10E6-R8 PolarHBondContact O-N 2.87Å; R8-F10 PolarHBondContact O-N 3.05Å
9P54.2Low52.6Low84 Ų84138.1 Ų138.155%0.54571%0.705SS.*  trans-73122.4-174.227.8-32.4000111.7A11 Q12P9-A11 PolarHBondContact O-N 3.04Å; P9-Q12 PolarHBondContact O-N 3.23Å
10F53.2Low53.7Low154 Ų154135.2 Ų135.268%0.67570%0.695SS**Hα-helixtrans-44.6-28.1179.1-170.6-103.5000115.3R8 Q12 Q13 L14R8-F10 PolarHBondContact O-N 3.05Å; F10-Q12 VanDerWaalsContact C-N 3.34Å; F10-Q12 PolarHBondContact O-N 3.15Å; F10-Q13 PolarHBondContact O-N 3.1Å; F10-L14 HydrophobicContact CD1-CD1 3.92Å; F10-L14 HydrophobicContact CE1-CD1 3.73Å
11A49.6Very low54.9Low75 Ų75133.4 Ų133.462%0.6269%0.686SS**Hα-helixtrans-65.7-30178.300000114.1P9 S15P9-A11 PolarHBondContact O-N 3.04Å; A11-S15 PolarHBondContact O-N 2.91Å
12Q51.7Low56.7Low134 Ų134126.2 Ų126.263%0.62665%0.652SS**Hα-helixtrans-74.9-27.6179.7-126.61710.400112.2P9 F10P9-Q12 PolarHBondContact O-N 3.23Å; F10-Q12 VanDerWaalsContact C-N 3.34Å; F10-Q12 PolarHBondContact O-N 3.15Å
13Q51.2Low58.6Low135 Ų135124.1 Ų124.163%0.63164%0.637SS**Hα-helixtrans-70.3-39.4174.3-93.7171.7-28.800112.3F10 N16 V17F10-Q13 PolarHBondContact O-N 3.1Å; Q13-N16 PolarHBondContact O-N 3.22Å; Q13-V17 WeakPolarHBondContact O-CG2 2.76Å; Q13-V17 PolarHBondContact O-N 2.94Å
14L49.5Very low60.3Low77 Ų77123.4 Ų123.440%0.40363%0.628SS.*Hα-helixtrans-67.1-40.5179.7-78.5157.5000112.6F10 N16 V17 Y18F10-L14 HydrophobicContact CD1-CD1 3.92Å; F10-L14 HydrophobicContact CE1-CD1 3.73Å; L14-N16 VanDerWaalsContact C-N 3.31Å; L14-N16 PolarHBondContact O-N 3.2Å; L14-V17 PolarHBondContact O-N 3.47Å; L14-V17 VanDerWaalsContact O-N 3.13Å; L14-Y18 HydrophobicContact CD2-CE2 4.41Å; L14-Y18 WeakPolarHBondContact O-CD2 3.08Å; L14-Y18 PolarHBondContact O-N 3.32Å; L14-Y18 VanDerWaalsContact O-N 3.11Å
15S59.3Low62.2Low72 Ų72121.3 Ų121.350%0.50361%0.612SS.*Hα-helixtrans-55.2-44.6175.4174.20000112.4A11 V17 Y18 F19A11-S15 PolarHBondContact O-N 2.91Å; S15-V17 VanDerWaalsContact C-N 3.33Å; S15-V17 PolarHBondContact O-N 2.83Å; S15-Y18 PolarHBondContact O-N 3.42Å; S15-F19 PolarHBondContact O-N 2.91Å
16N62.4Low63.9Low107 Ų107116 Ų11657%0.57259%0.594SS**Hα-helixtrans-67.7-31.6178.9-71.6-15.6000112.8Q13 L14 T20Q13-N16 PolarHBondContact O-N 3.22Å; L14-N16 VanDerWaalsContact C-N 3.31Å; L14-N16 PolarHBondContact O-N 3.2Å; N16-T20 WeakPolarHBondContact O-CB 3.3Å; N16-T20 VanDerWaalsContact O-CG2 3.29Å; N16-T20 WeakPolarHBondContact O-CG2 3.25Å; N16-T20 PolarHBondContact O-N 3.43Å; N16-T20 PolarHBondContact O-OG1 2.84Å
17V70.7Confident65.3Low74 Ų74114.4 Ų114.445%0.44859%0.585SS.*Hα-helixtrans-69.7-43.5176.1175.10000110.9Q13 L14 S15 F19 T20 I21Q13-V17 WeakPolarHBondContact O-CG2 2.76Å; Q13-V17 PolarHBondContact O-N 2.94Å; L14-V17 PolarHBondContact O-N 3.47Å; L14-V17 VanDerWaalsContact O-N 3.13Å; S15-V17 VanDerWaalsContact C-N 3.33Å; S15-V17 PolarHBondContact O-N 2.83Å; V17-F19 PolarHBondContact O-N 3.3Å; V17-T20 WeakPolarHBondContact CA-OG1 3.43Å; V17-T20 PolarHBondContact O-N 2.96Å; V17-T20 PolarHBondContact O-OG1 3.25Å; V17-I21 HydrophobicContact CG1-CD1 3.79Å; V17-I21 WeakPolarHBondContact O-CD1 3.42Å; V17-I21 VanDerWaalsContact O-CG1 3.23Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 3.29Å
18Y69.1Low66.5Low162 Ų162114.1 Ų114.164%0.63558%0.575SS**Hα-helixtrans-66.5-37176.2-71.9-71.4000112.6L14 S15 I21 L22L14-Y18 HydrophobicContact CD2-CE2 4.41Å; L14-Y18 WeakPolarHBondContact O-CD2 3.08Å; L14-Y18 PolarHBondContact O-N 3.32Å; L14-Y18 VanDerWaalsContact O-N 3.11Å; S15-Y18 PolarHBondContact O-N 3.42Å; Y18-I21 PolarHBondContact O-N 2.78Å; Y18-L22 WeakPolarHBondContact O-CB 3.2Å; Y18-L22 PolarHBondContact O-N 2.89Å
19F73.6Confident67.5Low152 Ų152108.3 Ų108.367%0.66756%0.559SS**Hα-helixtrans-68.4-37.2177.5-144.2-84.2000112.5S15 V17 S23S15-F19 PolarHBondContact O-N 2.91Å; V17-F19 PolarHBondContact O-N 3.3Å; F19-S23 VanDerWaalsContact O-CB 3.27Å; F19-S23 WeakPolarHBondContact O-CB 3.5Å; F19-S23 PolarHBondContact O-N 2.96Å
20T75Confident68.7Low80 Ų80111 Ų11149%0.49156%0.562SS.*Hα-helixtrans-70.1-40175.346.80000112N16 V17 S23 L24N16-T20 WeakPolarHBondContact O-CB 3.3Å; N16-T20 VanDerWaalsContact O-CG2 3.29Å; N16-T20 WeakPolarHBondContact O-CG2 3.25Å; N16-T20 PolarHBondContact O-N 3.43Å; N16-T20 PolarHBondContact O-OG1 2.84Å; V17-T20 WeakPolarHBondContact CA-OG1 3.43Å; V17-T20 PolarHBondContact O-N 2.96Å; V17-T20 PolarHBondContact O-OG1 3.25Å; T20-S23 PolarHBondContact O-N 3.39Å; T20-L24 WeakPolarHBondContact O-CB 3.44Å; T20-L24 VanDerWaalsContact O-CG 3.32Å; T20-L24 WeakPolarHBondContact O-CG 3.24Å; T20-L24 PolarHBondContact O-N 3.49Å
21I77.9Confident69.8Low98 Ų98106.9 Ų106.950%0.50355%0.55SS..Hα-helixtrans-62.4-44.7173.6-67.7166.3000110.9V17 Y18 L24 F25V17-I21 HydrophobicContact CG1-CD1 3.79Å; V17-I21 WeakPolarHBondContact O-CD1 3.42Å; V17-I21 VanDerWaalsContact O-CG1 3.23Å; V17-I21 WeakPolarHBondContact O-CG1 3.44Å; V17-I21 PolarHBondContact O-N 3.29Å; Y18-I21 PolarHBondContact O-N 2.78Å; I21-L24 PolarHBondContact O-N 3.18Å; I21-F25 WeakPolarHBondContact O-CB 3.45Å; I21-F25 PolarHBondContact O-N 2.89Å
22L79.7Confident70.8Confident99 Ų99110.8 Ų110.852%0.51855%0.553SS.*Hα-helixtrans-63.9-42.2176.9-176.464.2000111.6Y18 F25 C26Y18-L22 WeakPolarHBondContact O-CB 3.2Å; Y18-L22 PolarHBondContact O-N 2.89Å; L22-F25 PolarHBondContact O-N 3.28Å; L22-C26 WeakPolarHBondContact O-CB 3.47Å; L22-C26 PolarHBondContact O-N 3.17Å; L22-C26 PolarHBondContact O-SG 3Å
23S77.5Confident71.9Confident73 Ų73108.5 Ų108.551%0.5154%0.544SS..Hα-helixtrans-61.1-45.1175.4-179.80000112.1F19 T20 F25 C26 F27F19-S23 VanDerWaalsContact O-CB 3.27Å; F19-S23 WeakPolarHBondContact O-CB 3.5Å; F19-S23 PolarHBondContact O-N 2.96Å; T20-S23 PolarHBondContact O-N 3.39Å; S23-F25 VanDerWaalsContact C-N 3.33Å; S23-F25 PolarHBondContact O-N 3.03Å; S23-C26 PolarHBondContact O-N 3.14Å; S23-F27 WeakPolarHBondContact O-CB 3.28Å; S23-F27 PolarHBondContact O-N 3.43Å
24L75.6Confident73Confident119 Ų119104.3 Ų104.362%0.62353%0.53SS*.Hα-helixtrans-64.1-38175.9-73.6171.2000112.1T20 I21 K28T20-L24 WeakPolarHBondContact O-CB 3.44Å; T20-L24 VanDerWaalsContact O-CG 3.32Å; T20-L24 WeakPolarHBondContact O-CG 3.24Å; T20-L24 PolarHBondContact O-N 3.49Å; I21-L24 PolarHBondContact O-N 3.18Å; L24-K28 VanDerWaalsContact O-CB 3.28Å; L24-K28 WeakPolarHBondContact O-CB 3.29Å; L24-K28 PolarHBondContact O-N 3.49Å
25F80.9Confident74.1Confident132 Ų132106.3 Ų106.358%0.57954%0.54SS*.Hα-helixtrans-66.4-46.6175.6-173.4-96.4000111.7I21 L22 S23 F27 K28 L29I21-F25 WeakPolarHBondContact O-CB 3.45Å; I21-F25 PolarHBondContact O-N 2.89Å; L22-F25 PolarHBondContact O-N 3.28Å; S23-F25 VanDerWaalsContact C-N 3.33Å; S23-F25 PolarHBondContact O-N 3.03Å; F25-F27 VanDerWaalsContact C-N 3.34Å; F25-F27 PolarHBondContact O-N 3.38Å; F25-K28 PolarHBondContact O-N 2.88Å; F25-L29 WeakPolarHBondContact O-CB 3.25Å; F25-L29 PolarHBondContact O-N 3.45Å
26C79.1Confident74.5Confident70 Ų70105.4 Ų105.447%0.47354%0.537SS..Hα-helixtrans-62.1-40.9176-71.40000111.9L22 S23 L29 F30L22-C26 WeakPolarHBondContact O-CB 3.47Å; L22-C26 PolarHBondContact O-N 3.17Å; L22-C26 PolarHBondContact O-SG 3Å; S23-C26 PolarHBondContact O-N 3.14Å; C26-L29 PolarHBondContact O-N 2.95Å; C26-F30 VanDerWaalsContact O-CB 3.23Å; C26-F30 WeakPolarHBondContact O-CB 3.29Å; C26-F30 PolarHBondContact O-N 3.48Å
27F78.4Confident74.8Confident135 Ų135105.5 Ų105.559%0.59254%0.537SS*.Hα-helixtrans-63.4-46174.8-176.6-99.7000111.4S23 F25 L29 F30 V31S23-F27 WeakPolarHBondContact O-CB 3.28Å; S23-F27 PolarHBondContact O-N 3.43Å; F25-F27 VanDerWaalsContact C-N 3.34Å; F25-F27 PolarHBondContact O-N 3.38Å; F27-L29 VanDerWaalsContact C-N 3.32Å; F27-L29 PolarHBondContact O-N 3.43Å; F27-F30 PolarHBondContact O-N 3.04Å; F27-V31 HydrophobicContact CD1-CG2 4.2Å; F27-V31 HydrophobicContact CE1-CG2 3.86Å; F27-V31 HydrophobicContact CE2-CG2 4.41Å; F27-V31 HydrophobicContact CZ-CG2 3.97Å; F27-V31 VanDerWaalsContact O-CG2 3.3Å; F27-V31 WeakPolarHBondContact O-CG2 3.36Å; F27-V31 PolarHBondContact O-N 3.45Å
28K73Confident74.6Confident159 Ų159106.6 Ų106.669%0.69154%0.539SS*.Hα-helixtrans-63.2-38.6177.5-166174.7-176175.40112L24 F25 K32L24-K28 VanDerWaalsContact O-CB 3.28Å; L24-K28 WeakPolarHBondContact O-CB 3.29Å; L24-K28 PolarHBondContact O-N 3.49Å; F25-K28 PolarHBondContact O-N 2.88Å; K28-K32 WeakPolarHBondContact O-CB 3.25Å; K28-K32 PolarHBondContact O-N 3.39Å
29L75.6Confident74.2Confident84 Ų84101.6 Ų101.644%0.4453%0.528SS..Hα-helixtrans-68.5-43.3175.8-174.763.6000111.5F25 C26 F27 K32 I33F25-L29 WeakPolarHBondContact O-CB 3.25Å; F25-L29 PolarHBondContact O-N 3.45Å; C26-L29 PolarHBondContact O-N 2.95Å; F27-L29 VanDerWaalsContact C-N 3.32Å; F27-L29 PolarHBondContact O-N 3.43Å; L29-K32 PolarHBondContact O-N 2.88Å; L29-I33 HydrophobicContact CD1-CD1 4.11Å; L29-I33 HydrophobicContact CD1-CG1 4.42Å; L29-I33 HydrophobicContact CG-CD1 3.86Å; L29-I33 VanDerWaalsContact O-CG1 3.32Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 3.09Å
30F78.9Confident73.7Confident139 Ų139100.1 Ų100.161%0.6152%0.523SS*.Hα-helixtrans-62.1-44.1176.4179.7-97.5000112C26 F27 K32 I33 S34C26-F30 VanDerWaalsContact O-CB 3.23Å; C26-F30 WeakPolarHBondContact O-CB 3.29Å; C26-F30 PolarHBondContact O-N 3.48Å; F27-F30 PolarHBondContact O-N 3.04Å; F30-K32 VanDerWaalsContact C-N 3.32Å; F30-K32 PolarHBondContact O-N 3.49Å; F30-I33 PolarHBondContact O-N 2.89Å; F30-S34 VanDerWaalsContact O-CB 3.22Å; F30-S34 WeakPolarHBondContact O-CB 3.19Å; F30-S34 PolarHBondContact O-N 3.37Å; F30-S34 PolarHBondContact O-OG 2.81Å
31V77.5Confident72.8Confident68 Ų68102.2 Ų102.241%0.41253%0.526SS..Hα-helixtrans-59.9-44.6173.51710000110.3F27 S34 L35F27-V31 HydrophobicContact CD1-CG2 4.2Å; F27-V31 HydrophobicContact CE1-CG2 3.86Å; F27-V31 HydrophobicContact CE2-CG2 4.41Å; F27-V31 HydrophobicContact CZ-CG2 3.97Å; F27-V31 VanDerWaalsContact O-CG2 3.3Å; F27-V31 WeakPolarHBondContact O-CG2 3.36Å; F27-V31 PolarHBondContact O-N 3.45Å; V31-S34 PolarHBondContact O-N 3.35Å; V31-L35 VanDerWaalsContact O-CB 3.29Å; V31-L35 WeakPolarHBondContact O-CB 3.29Å; V31-L35 PolarHBondContact O-N 3.27Å
32K71.1Confident71.9Confident157 Ų157101.3 Ų101.368%0.68352%0.516SS*.Hα-helixtrans-66.5-40.8-178.6-158.3176.2-175.4-176.90112.8K28 L29 F30 A36K28-K32 WeakPolarHBondContact O-CB 3.25Å; K28-K32 PolarHBondContact O-N 3.39Å; L29-K32 PolarHBondContact O-N 2.88Å; F30-K32 VanDerWaalsContact C-N 3.32Å; F30-K32 PolarHBondContact O-N 3.49Å; K32-A36 WeakPolarHBondContact O-CB 3.39Å; K32-A36 PolarHBondContact O-N 3.21Å
33I73.1Confident70.8Confident86 Ų86102.5 Ų102.544%0.44152%0.522SS..Hα-helixtrans-68.5-43.7175.7-68.2169.5000110.3L29 F30 L35 A36 I37L29-I33 HydrophobicContact CD1-CD1 4.11Å; L29-I33 HydrophobicContact CD1-CG1 4.42Å; L29-I33 HydrophobicContact CG-CD1 3.86Å; L29-I33 VanDerWaalsContact O-CG1 3.32Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 3.09Å; F30-I33 PolarHBondContact O-N 2.89Å; I33-L35 PolarHBondContact O-N 3.23Å; I33-A36 PolarHBondContact O-N 2.92Å; I33-I37 HydrophobicContact CG2-CD1 3.6Å; I33-I37 HydrophobicContact CG2-CG1 4.29Å; I33-I37 WeakPolarHBondContact O-CB 3.21Å; I33-I37 VanDerWaalsContact O-CG1 3.27Å; I33-I37 WeakPolarHBondContact O-CG1 3.48Å; I33-I37 PolarHBondContact O-N 3.05Å
34S75.3Confident69.7Low47 Ų47103.7 Ų103.733%0.32953%0.526SS..Hα-helixtrans-62.1-42.9177.4-58.60000111.5F30 V31 A36 I37 L38F30-S34 VanDerWaalsContact O-CB 3.22Å; F30-S34 WeakPolarHBondContact O-CB 3.19Å; F30-S34 PolarHBondContact O-N 3.37Å; F30-S34 PolarHBondContact O-OG 2.81Å; V31-S34 PolarHBondContact O-N 3.35Å; S34-A36 VanDerWaalsContact C-N 3.35Å; S34-A36 PolarHBondContact O-N 3.05Å; S34-I37 PolarHBondContact O-N 3.45Å; S34-L38 VanDerWaalsContact O-CB 3.23Å; S34-L38 WeakPolarHBondContact O-CB 3.37Å; S34-L38 PolarHBondContact O-N 3.43Å
35L71.4Confident68.5Low120 Ų120106.4 Ų106.463%0.62853%0.533SS*.Hα-helixtrans-65.7-37.3176.6-154.679.6000111.9V31 I33 S39V31-L35 VanDerWaalsContact O-CB 3.29Å; V31-L35 WeakPolarHBondContact O-CB 3.29Å; V31-L35 PolarHBondContact O-N 3.27Å; I33-L35 PolarHBondContact O-N 3.23Å; L35-S39 VanDerWaalsContact O-CB 3.31Å; L35-S39 WeakPolarHBondContact O-CB 3.29Å; L35-S39 PolarHBondContact O-N 2.89Å; L35-S39 PolarHBondContact O-OG 3.38Å
36A67.5Low67.1Low53 Ų53101.1 Ų101.144%0.43852%0.515SS..Hα-helixtrans-71.1-36.9176.500000112.9K32 I33 S34 S39 H40K32-A36 WeakPolarHBondContact O-CB 3.39Å; K32-A36 PolarHBondContact O-N 3.21Å; I33-A36 PolarHBondContact O-N 2.92Å; S34-A36 VanDerWaalsContact C-N 3.35Å; S34-A36 PolarHBondContact O-N 3.05Å; A36-S39 WeakPolarHBondContact CA-OG 3.42Å; A36-S39 PolarHBondContact O-OG 3.02Å; A36-H40 WeakPolarHBondContact O-CB 3.11Å; A36-H40 PolarHBondContact O-N 2.96Å
37I68.9Low66.2Low109 Ų109103 Ų10356%0.55952%0.521SS*.Hα-helixtrans-71.2-40.4174.8-67.7168.5000110.1I33 S34 H40 F41I33-I37 HydrophobicContact CG2-CD1 3.6Å; I33-I37 HydrophobicContact CG2-CG1 4.29Å; I33-I37 WeakPolarHBondContact O-CB 3.21Å; I33-I37 VanDerWaalsContact O-CG1 3.27Å; I33-I37 WeakPolarHBondContact O-CG1 3.48Å; I33-I37 PolarHBondContact O-N 3.05Å; S34-I37 PolarHBondContact O-N 3.45Å; I37-H40 PolarHBondContact O-N 2.94Å; I37-F41 WeakPolarHBondContact O-CB 3.31Å; I37-F41 PolarHBondContact O-N 3.04Å
38L66.6Low65.2Low97 Ų97105.1 Ų105.151%0.50853%0.525SS..Hα-helixtrans-64.3-46176.5-162.372.3000110.6S34 F41 Y42S34-L38 VanDerWaalsContact O-CB 3.23Å; S34-L38 WeakPolarHBondContact O-CB 3.37Å; S34-L38 PolarHBondContact O-N 3.43Å; L38-F41 PolarHBondContact O-N 3.01Å; L38-Y42 HydrophobicContact CD1-CD2 4.04Å; L38-Y42 HydrophobicContact CD1-CE2 3.82Å; L38-Y42 HydrophobicContact CG-CD2 3.91Å; L38-Y42 HydrophobicContact CG-CE2 4.04Å; L38-Y42 WeakPolarHBondContact O-CB 3.49Å; L38-Y42 WeakPolarHBondContact O-CD2 3.37Å; L38-Y42 PolarHBondContact O-N 3.25Å
39S61.6Low64.4Low57 Ų57104.7 Ų104.740%0.39952%0.523SS..Hα-helixtrans-63.6-43.5176.468.90000111.8L35 A36 Y42 I43L35-S39 VanDerWaalsContact O-CB 3.31Å; L35-S39 WeakPolarHBondContact O-CB 3.29Å; L35-S39 PolarHBondContact O-N 2.89Å; L35-S39 PolarHBondContact O-OG 3.38Å; A36-S39 WeakPolarHBondContact CA-OG 3.42Å; A36-S39 PolarHBondContact O-OG 3.02Å; S39-Y42 PolarHBondContact O-N 3.41Å; S39-I43 WeakPolarHBondContact O-CB 3.11Å; S39-I43 WeakPolarHBondContact O-CD1 3.5Å; S39-I43 WeakPolarHBondContact O-CG1 3.37Å; S39-I43 PolarHBondContact O-N 3.31Å
40H62.8Low63.4Low121 Ų121104.4 Ų104.456%0.5652%0.52SS*.Hα-helixtrans-63.5-42.6175.7-176.4-85.8000112.2A36 I37 V44A36-H40 WeakPolarHBondContact O-CB 3.11Å; A36-H40 PolarHBondContact O-N 2.96Å; I37-H40 PolarHBondContact O-N 2.94Å; H40-V44 VanDerWaalsContact O-CB 3.24Å; H40-V44 WeakPolarHBondContact O-CB 3.49Å; H40-V44 WeakPolarHBondContact O-CG2 3.43Å; H40-V44 PolarHBondContact O-N 2.92Å
41F57.3Low62.3Low124 Ų12499.3 Ų99.354%0.54450%0.503SS..Hα-helixtrans-65.6-41.3178-170.5-94.9000111.9I37 L38 K45 G46I37-F41 WeakPolarHBondContact O-CB 3.31Å; I37-F41 PolarHBondContact O-N 3.04Å; L38-F41 PolarHBondContact O-N 3.01Å; F41-K45 CarbonylContact O-C 3.52Å; F41-K45 WeakPolarHBondContact O-CA 3.27Å; F41-K45 PolarHBondContact O-N 2.9Å; F41-G46 PolarHBondContact O-N 3.35Å
42Y57.5Low61.2Low78 Ų7897 Ų9731%0.30649%0.491SS..Hα-helixtrans-74.5-35.7178.3-91-80.2000114L38 S39 A51 I54L38-Y42 HydrophobicContact CD1-CD2 4.04Å; L38-Y42 HydrophobicContact CD1-CE2 3.82Å; L38-Y42 HydrophobicContact CG-CD2 3.91Å; L38-Y42 HydrophobicContact CG-CE2 4.04Å; L38-Y42 WeakPolarHBondContact O-CB 3.49Å; L38-Y42 WeakPolarHBondContact O-CD2 3.37Å; L38-Y42 PolarHBondContact O-N 3.25Å; S39-Y42 PolarHBondContact O-N 3.41Å; Y42-A51 HydrophobicContact CD1-CB 3.51Å; Y42-A51 HydrophobicContact CE1-CB 3.87Å; Y42-I54 HydrophobicContact CE1-CD1 4.49Å; Y42-I54 VanDerWaalsContact OH-CD1 3.26Å; Y42-I54 WeakPolarHBondContact OH-CD1 3.48Å
43I57.7Low60.6Low124 Ų12495.4 Ų95.464%0.63648%0.481SS*.Hα-helixtrans-78.1-36.9-179.5-67.4167.1000111.5S39S39-I43 WeakPolarHBondContact O-CB 3.11Å; S39-I43 WeakPolarHBondContact O-CD1 3.5Å; S39-I43 WeakPolarHBondContact O-CG1 3.37Å; S39-I43 PolarHBondContact O-N 3.31Å
44V53.2Low59.9Low98 Ų9893.6 Ų93.659%0.59447%0.471SS*.Hα-helixtrans-100.4-30.3-171.2-175.60000113.2H40H40-V44 VanDerWaalsContact O-CB 3.24Å; H40-V44 WeakPolarHBondContact O-CB 3.49Å; H40-V44 WeakPolarHBondContact O-CG2 3.43Å; H40-V44 PolarHBondContact O-N 2.92Å
45K52Low58.8Low176 Ų17693.4 Ų93.477%0.76547%0.473SS*.THydrogen-bonded Turntrans-126.3-13.1-174.5-112-174.1177.3-176.60115.6F41F41-K45 CarbonylContact O-C 3.52Å; F41-K45 WeakPolarHBondContact O-CA 3.27Å; F41-K45 PolarHBondContact O-N 2.9Å
46G49.7Very low58Low21 Ų2190.5 Ų90.522%0.21647%0.466CS..SBendtrans-88.2134.8-172.900000113.8F41 R48F41-G46 PolarHBondContact O-N 3.35Å; G46-R48 PolarHBondContact O-N 3.42Å
47N60.1Low57.3Low109 Ų10994.3 Ų94.358%0.58348%0.475SS*.  trans-53103.2167.2-1763.8000109.1K49 E50N47-K49 PolarHBondContact O-N 2.87Å; N47-E50 PolarHBondContact O-N 2.69Å
48R58.4Low56.2Low180 Ų18097.1 Ų97.168%0.67948%0.483SS*.Hα-helixtrans-50.8-26.7-174.8-66.9-177.3179.3177.4-0.6113.2G46 A52G46-R48 PolarHBondContact O-N 3.42Å; R48-A52 WeakPolarHBondContact O-CB 3.48Å; R48-A52 PolarHBondContact O-N 3.29Å; R48-A52 VanDerWaalsContact O-N 3.08Å
49K55.3Low55.4Low151 Ų151102 Ų10266%0.65750%0.496SS*.Hα-helixtrans-61.3-40.8174.6-62.2-174.8175.6-173.30113.1N47 R53N47-K49 PolarHBondContact O-N 2.87Å; K49-R53 PolarHBondContact O-N 2.68Å
50E56.1Low54.5Low78 Ų78102 Ų10236%0.36450%0.504SS..Hα-helixtrans-77-35-177.7-15659.7-15600111.4N47 A52 R53 I54N47-E50 PolarHBondContact O-N 2.69Å; E50-A52 VanDerWaalsContact C-N 3.35Å; E50-R53 PolarHBondContact O-N 3Å; E50-R53 IonicContact OE1-CZ 3.3Å; E50-R53 IonicContact OE1-NE 3.4Å; E50-R53 PolarHBondContact OE1-NE 3.14Å; E50-R53 IonicContact OE1-NH2 2.75Å; E50-R53 PolarHBondContact OE1-NH2 2.8Å; E50-R53 IonicContact OE2-NE 3.83Å; E50-I54 HydrophobicContact CG-CD1 4.21Å; E50-I54 WeakPolarHBondContact O-CB 3.34Å; E50-I54 WeakPolarHBondContact O-CD1 2.97Å; E50-I54 WeakPolarHBondContact O-CG1 3.44Å; E50-I54 PolarHBondContact O-N 3Å
51A55Low53.4Low31 Ų31101.6 Ų101.626%0.25651%0.511SS..Hα-helixtrans-61.5-44172.500000111.6Y42 A55Y42-A51 HydrophobicContact CD1-CB 3.51Å; Y42-A51 HydrophobicContact CE1-CB 3.87Å; A51-A55 WeakPolarHBondContact O-CB 3.37Å; A51-A55 PolarHBondContact O-N 3.45Å
52A54.3Low52.5Low19 Ų19100.9 Ų100.916%0.15752%0.517CS..Hα-helixtrans-66.6-4117700000112R48 E50 A55 A56 A69R48-A52 WeakPolarHBondContact O-CB 3.48Å; R48-A52 PolarHBondContact O-N 3.29Å; R48-A52 VanDerWaalsContact O-N 3.08Å; E50-A52 VanDerWaalsContact C-N 3.35Å; A52-A55 PolarHBondContact O-N 3.03Å; A52-A56 PolarHBondContact O-N 2.78Å; A52-A69 HydrophobicContact CB-CB 4.23Å
53R59.2Low51.7Low125 Ų125106.7 Ų106.747%0.47255%0.547SS..Hα-helixtrans-59.6-48.7174.8-168.2-176.775.774.63.3111.5K49 E50 A56 E57K49-R53 PolarHBondContact O-N 2.68Å; E50-R53 PolarHBondContact O-N 3Å; E50-R53 IonicContact OE1-CZ 3.3Å; E50-R53 IonicContact OE1-NE 3.4Å; E50-R53 PolarHBondContact OE1-NE 3.14Å; E50-R53 IonicContact OE1-NH2 2.75Å; E50-R53 PolarHBondContact OE1-NH2 2.8Å; E50-R53 IonicContact OE2-NE 3.83Å; R53-A56 PolarHBondContact O-N 3.4Å; R53-E57 IonicContact CZ-OE2 3.92Å; R53-E57 IonicContact NH1-OE1 3.14Å; R53-E57 IonicContact NH1-OE2 3.84Å; R53-E57 PolarHBondContact NH1-OE2 3.25Å; R53-E57 PolarHBondContact O-N 3.27Å; R53-E57 VanDerWaalsContact O-N 3.08Å
54I58Low51.1Low48 Ų48104.6 Ų104.625%0.24656%0.555CS.*Hα-helixtrans-65.3-40.7-180-66165.5000110.6Y42 E50 A56 E57 F58Y42-I54 HydrophobicContact CE1-CD1 4.49Å; Y42-I54 VanDerWaalsContact OH-CD1 3.26Å; Y42-I54 WeakPolarHBondContact OH-CD1 3.48Å; E50-I54 HydrophobicContact CG-CD1 4.21Å; E50-I54 WeakPolarHBondContact O-CB 3.34Å; E50-I54 WeakPolarHBondContact O-CD1 2.97Å; E50-I54 WeakPolarHBondContact O-CG1 3.44Å; E50-I54 PolarHBondContact O-N 3Å; I54-A56 PolarHBondContact O-N 2.87Å; I54-E57 PolarHBondContact O-N 2.92Å; I54-F58 HydrophobicContact CG2-CD2 3.8Å; I54-F58 HydrophobicContact CG2-CE2 3.96Å; I54-F58 WeakPolarHBondContact O-CD2 3.42Å; I54-F58 PolarHBondContact O-N 3.4Å; I54-F58 VanDerWaalsContact O-N 3.13Å
55A53Low50.7Low43 Ų43106.1 Ų106.136%0.35556%0.556SS.*Hα-helixtrans-62.5-4117600000112.4A51 A52 E57 F58 Y59A51-A55 WeakPolarHBondContact O-CB 3.37Å; A51-A55 PolarHBondContact O-N 3.45Å; A52-A55 PolarHBondContact O-N 3.03Å; A55-E57 VanDerWaalsContact C-N 3.3Å; A55-E57 PolarHBondContact O-N 3.48Å; A55-F58 PolarHBondContact O-N 2.95Å; A55-Y59 HydrophobicContact CB-CD2 4.43Å; A55-Y59 WeakPolarHBondContact O-CB 3.41Å; A55-Y59 WeakPolarHBondContact O-CD2 3.47Å; A55-Y59 PolarHBondContact O-N 3.04Å
56A54.5Low50.7Low59 Ų5999.2 Ų99.249%0.48854%0.535SS..Hα-helixtrans-64.2-34.7175.500000112.7A52 R53 I54A52-A56 PolarHBondContact O-N 2.78Å; R53-A56 PolarHBondContact O-N 3.4Å; I54-A56 PolarHBondContact O-N 2.87Å
57E52.2Low51Low133 Ų133100.1 Ų100.162%0.62154%0.538SS*.Hα-helixtrans-71-33.4179.2-135.7169.6176.900112.8R53 I54 A55R53-E57 IonicContact CZ-OE2 3.92Å; R53-E57 IonicContact NH1-OE1 3.14Å; R53-E57 IonicContact NH1-OE2 3.84Å; R53-E57 PolarHBondContact NH1-OE2 3.25Å; R53-E57 PolarHBondContact O-N 3.27Å; R53-E57 VanDerWaalsContact O-N 3.08Å; I54-E57 PolarHBondContact O-N 2.92Å; A55-E57 VanDerWaalsContact C-N 3.3Å; A55-E57 PolarHBondContact O-N 3.48Å
58F45.5Very low50.9Low167 Ų167101.6 Ų101.673%0.73254%0.535SS*.Hα-helixtrans-93.7-30.3-176.8-85.2-84.4000114.9I54 A55I54-F58 HydrophobicContact CG2-CD2 3.8Å; I54-F58 HydrophobicContact CG2-CE2 3.96Å; I54-F58 WeakPolarHBondContact O-CD2 3.42Å; I54-F58 PolarHBondContact O-N 3.4Å; I54-F58 VanDerWaalsContact O-N 3.13Å; A55-F58 PolarHBondContact O-N 2.95Å
59Y49.6Very low51.1Low200 Ų20095.6 Ų95.678%0.78452%0.524SS*.Hα-helixtrans-98.7-1.9-170.9-73-72.9000115.8A55A55-Y59 HydrophobicContact CB-CD2 4.43Å; A55-Y59 WeakPolarHBondContact O-CB 3.41Å; A55-Y59 WeakPolarHBondContact O-CD2 3.47Å; A55-Y59 PolarHBondContact O-N 3.04Å
60G42.8Very low52.4Low56 Ų5690.8 Ų90.858%0.57751%0.506SS*.  trans54.985.6172.300000112.7T62G60-T62 PolarHBondContact O-N 3.09Å
61V40.5Very low54Low114 Ų11489.5 Ų89.569%0.69150%0.497SS*.  trans-38.1106.8179-179.60000112.2
62T38Very low55.7Low109 Ų10989.3 Ų89.367%0.66949%0.494SS*.  trans-71.9129.9155.745.10000107.2G60 G64G60-T62 PolarHBondContact O-N 3.09Å; T62-G64 PolarHBondContact O-N 3.02Å; T62-G64 VanDerWaalsContact O-N 3.16Å
63Q39.7Very low57.6Low200 Ų20091.5 Ų91.594%0.93551%0.506SS*.THydrogen-bonded Turntrans-54.8122.2179.6-68.3-166.2-17.800110.3
64G45.9Very low59.4Low79 Ų7985.5 Ų85.581%0.81448%0.484SS*.THydrogen-bonded Turntrans120.90.1168.900000117.9T62T62-G64 PolarHBondContact O-N 3.02Å; T62-G64 VanDerWaalsContact O-N 3.16Å
65Q44.3Very low61.2Low130 Ų13083.3 Ų83.361%0.60747%0.473SS*.  trans-123.798172.3-71.4-165.3-11.100111.2W68Q65-W68 HydrophobicContact CG-CZ2 4.37Å
66G53.5Low63.2Low31 Ų3184.5 Ų84.532%0.3247%0.471SS..  trans-58.6167.2173.100000112.7W68 D102G66-W68 PolarHBondContact O-N 3.13Å; G66-W68 VanDerWaalsContact O-N 3.08Å; G66-D102 VanDerWaalsContact CA-OD2 3.25Å; G66-D102 WeakPolarHBondContact CA-OD2 3.35Å
67S54.6Low65.2Low41 Ų4181.9 Ų81.929%0.28745%0.449SS..  trans-59.6115.7-176.2-162.40000110.6A69 D102S67-A69 PolarHBondContact O-N 3.01Å; S67-D102 PolarHBondContact N-OD2 3.3Å
68W58.5Low67.4Low140 Ų14075.6 Ų75.653%0.5342%0.42SS..G310 helixtrans-74-9.9-179.3-64.373.6000112.9Q65 G66 D70Q65-W68 HydrophobicContact CG-CZ2 4.37Å; G66-W68 PolarHBondContact O-N 3.13Å; G66-W68 VanDerWaalsContact O-N 3.08Å; W68-D70 PolarHBondContact O-N 3.44Å
69A61.7Low69.8Low53 Ų5368.9 Ų68.944%0.43839%0.394SS..G310 helixtrans-79.3-14.2-164.800000114.7A52 S67A52-A69 HydrophobicContact CB-CB 4.23Å; S67-A69 PolarHBondContact O-N 3.01Å
70D84.6Confident72Confident51 Ų5163.4 Ų63.427%0.27338%0.375SS..G310 helixtrans-117.84.1-175.469.9-31.6000113.6W68 S72 T100 L101W68-D70 PolarHBondContact O-N 3.44Å; D70-S72 PolarHBondContact O-N 3.44Å; D70-T100 VanDerWaalsContact OD2-C 3.3Å; D70-T100 WeakPolarHBondContact OD2-CA 3.5Å; D70-T100 VanDerWaalsContact OD2-CB 3.23Å; D70-T100 WeakPolarHBondContact OD2-CB 3.38Å; D70-L101 VanDerWaalsContact OD2-CG 3.3Å; D70-L101 WeakPolarHBondContact OD2-CG 3.46Å; D70-L101 PolarHBondContact OD2-N 3.35Å
71R87.8Confident74.5Confident51 Ų5162 Ų6219%0.19236%0.36CS..  trans-57.5129.5174.3-70.9-178.8176.7-129.1-11.6111H75 T100 E109R71-H75 HydrophobicContact CB-CB 4.08Å; R71-H75 HydrophobicContact CG-CB 4.35Å; R71-T100 HydrophobicContact CG-CG2 4.25Å; R71-E109 IonicContact CZ-OE1 3.78Å; R71-E109 VanDerWaalsContact CZ-OE1 3.25Å; R71-E109 IonicContact CZ-OE2 3.37Å; R71-E109 VanDerWaalsContact NH1-CD 3.3Å; R71-E109 IonicContact NH1-OE1 2.93Å; R71-E109 PolarHBondContact NH1-OE1 2.98Å; R71-E109 IonicContact NH1-OE2 3.2Å; R71-E109 PolarHBondContact NH1-OE2 3.35Å; R71-E109 IonicContact NH2-OE1 2.78Å; R71-E109 PolarHBondContact NH2-OE1 3.44Å; R71-E109 IonicContact NH2-OE2 3.75Å; R71-E109 PolarHBondContact NH2-OE2 3.32Å
72S91.8Very high77.3Confident26 Ų2663.4 Ų63.418%0.18235%0.353CS..  trans-75160171.280.80000111D70 L74 H75 E76D70-S72 PolarHBondContact O-N 3.44Å; S72-L74 PolarHBondContact O-N 2.67Å; S72-L74 PolarHBondContact OG-N 3Å; S72-H75 PolarHBondContact N-ND1 3.42Å; S72-H75 WeakPolarHBondContact O-CB 3.36Å; S72-H75 PolarHBondContact O-N 3.13Å; S72-H75 PolarHBondContact OG-N 2.78Å; S72-H75 PolarHBondContact OG-ND1 2.81Å; S72-E76 PolarHBondContact O-N 3.37Å
73P94.4Very high80.1Confident65 Ų6560.4 Ų60.442%0.42233%0.333SS..Hα-helixtrans-54.2-27.9172.3-26.935.6000113.4E76 A77 L89 Y94P73-E76 PolarHBondContact O-N 2.95Å; P73-A77 WeakPolarHBondContact O-CB 3.27Å; P73-A77 PolarHBondContact O-N 2.98Å; P73-L89 HydrophobicContact CB-CD1 3.95Å; P73-L89 HydrophobicContact CB-CD2 4.02Å; P73-L89 WeakPolarHBondContact O-CD1 3.14Å; P73-Y94 HydrophobicContact CB-CE1 4.27Å; P73-Y94 HydrophobicContact CG-CE1 3.88Å
74L96.1Very high82.9Confident0 Ų057.2 Ų57.20%032%0.322CS..Hα-helixtrans-70.5-36.2177.2-164.764.3000111.9S72 A78 L86 L89 L90 P106 L122S72-L74 PolarHBondContact O-N 2.67Å; S72-L74 PolarHBondContact OG-N 3Å; L74-A78 VanDerWaalsContact O-CB 3.3Å; L74-A78 WeakPolarHBondContact O-CB 3.48Å; L74-A78 PolarHBondContact O-N 3.21Å; L74-L86 HydrophobicContact CD1-CD1 4.31Å; L74-L86 HydrophobicContact CD1-CG 3.86Å; L74-L89 HydrophobicContact CD1-CB 3.99Å; L74-L89 HydrophobicContact CD1-CD1 4.3Å; L74-L90 HydrophobicContact CD1-CD2 4.14Å; L74-L90 HydrophobicContact CD1-CG 4.12Å; L74-L90 HydrophobicContact CD2-CD2 3.89Å; L74-P106 HydrophobicContact CB-CG 4.08Å; L74-P106 HydrophobicContact CD2-CB 4.35Å; L74-P106 HydrophobicContact CD2-CG 3.85Å; L74-P106 HydrophobicContact CG-CB 4.02Å; L74-P106 HydrophobicContact CG-CG 3.82Å; L74-L122 HydrophobicContact CD1-CD2 4.42Å; L74-L122 HydrophobicContact CD2-CD2 4.23Å; L74-L122 HydrophobicContact CG-CD2 4.33Å
75H96Very high85.4Confident1 Ų155.3 Ų55.31%0.00530%0.298CS..Hα-helixtrans-62.6-45.3171.7-69.384.7000110.9R71 S72 A77 A78 S79 A98 V104 P106R71-H75 HydrophobicContact CB-CB 4.08Å; R71-H75 HydrophobicContact CG-CB 4.35Å; S72-H75 PolarHBondContact N-ND1 3.42Å; S72-H75 WeakPolarHBondContact O-CB 3.36Å; S72-H75 PolarHBondContact O-N 3.13Å; S72-H75 PolarHBondContact OG-N 2.78Å; S72-H75 PolarHBondContact OG-ND1 2.81Å; H75-A77 PolarHBondContact O-N 3.38Å; H75-A78 PolarHBondContact O-N 2.93Å; H75-S79 WeakPolarHBondContact O-CB 3.3Å; H75-S79 PolarHBondContact O-N 3.27Å; H75-S79 PolarHBondContact O-OG 2.87Å; H75-A98 PolarHBondContact CE1-O 3.46Å; H75-V104 PolarHBondContact NE2-O 3.44Å; H75-P106 WeakPolarHBondContact NE2-CD 3.26Å
76E94.7Very high87.9Confident69 Ų6949.1 Ų49.132%0.32227%0.269SS..Hα-helixtrans-66.5-39-179-167.361.1-16000112.4S72 P73 A78 S79 Q80S72-E76 PolarHBondContact O-N 3.37Å; P73-E76 PolarHBondContact O-N 2.95Å; E76-A78 VanDerWaalsContact C-N 3.32Å; E76-S79 PolarHBondContact O-OG 2.97Å; E76-S79 VanDerWaalsContact O-OG 3.11Å; E76-Q80 WeakPolarHBondContact O-CB 3.42Å; E76-Q80 WeakPolarHBondContact O-CG 3.45Å; E76-Q80 PolarHBondContact O-N 3.28Å; E76-Q80 PolarHBondContact OE1-NE2 3.27Å
77A97.3Very high90.1Very high4 Ų453.9 Ų53.93%0.03328%0.278CS..Hα-helixtrans-65.4-37.9174.100000111.7P73 H75 G81 R82 A85 L86 L89P73-A77 WeakPolarHBondContact O-CB 3.27Å; P73-A77 PolarHBondContact O-N 2.98Å; H75-A77 PolarHBondContact O-N 3.38Å; A77-G81 PolarHBondContact O-N 3.4Å; A77-R82 HydrophobicContact CB-CB 4.46Å; A77-R82 PolarHBondContact O-N 3.02Å; A77-A85 HydrophobicContact CB-CB 4.28Å; A77-L86 HydrophobicContact CB-CB 4.02Å; A77-L89 HydrophobicContact CB-CD1 3.99Å
78A97.6Very high92.1Very high0 Ų055.3 Ų55.30%029%0.285CS..Hα-helixtrans-70.2-47.8178.400000112.5L74 H75 E76 Q80 G81 L86 P106 E109 A110 H115 L122L74-A78 VanDerWaalsContact O-CB 3.3Å; L74-A78 WeakPolarHBondContact O-CB 3.48Å; L74-A78 PolarHBondContact O-N 3.21Å; H75-A78 PolarHBondContact O-N 2.93Å; E76-A78 VanDerWaalsContact C-N 3.32Å; A78-Q80 VanDerWaalsContact C-N 3.26Å; A78-Q80 PolarHBondContact O-N 3.47Å; A78-G81 PolarHBondContact O-N 3.43Å; A78-G81 VanDerWaalsContact O-N 3.12Å; A78-L86 HydrophobicContact CB-CD1 3.87Å; A78-P106 HydrophobicContact CB-CB 4.01Å; A78-P106 WeakPolarHBondContact CB-O 3.19Å; A78-E109 HydrophobicContact CB-CB 4.23Å; A78-A110 HydrophobicContact CB-CB 4.2Å; A78-H115 PolarHBondContact O-CD2 2.91Å; A78-L122 HydrophobicContact CB-CD1 4.26Å
79S95.8Very high94Very high27 Ų2749.7 Ų49.719%0.18927%0.265CS..Hα-helixtrans-61.7-33.7-179.467.20000112.6H75 E76 E109 H115H75-S79 WeakPolarHBondContact O-CB 3.3Å; H75-S79 PolarHBondContact O-N 3.27Å; H75-S79 PolarHBondContact O-OG 2.87Å; E76-S79 PolarHBondContact O-OG 2.97Å; E76-S79 VanDerWaalsContact O-OG 3.11Å; S79-E109 WeakPolarHBondContact CB-OE2 3.46Å; S79-H115 PolarHBondContact O-CD2 2.83Å; S79-H115 PolarHBondContact O-NE2 3.43Å
80Q95.9Very high95.7Very high85 Ų8548.7 Ų48.740%0.39725%0.252SS..THydrogen-bonded Turntrans-92.80.8178.5-61.9-164.512.300114.4E76 A78 R82E76-Q80 WeakPolarHBondContact O-CB 3.42Å; E76-Q80 WeakPolarHBondContact O-CG 3.45Å; E76-Q80 PolarHBondContact O-N 3.28Å; E76-Q80 PolarHBondContact OE1-NE2 3.27Å; A78-Q80 VanDerWaalsContact C-N 3.26Å; A78-Q80 PolarHBondContact O-N 3.47Å; Q80-R82 VanDerWaalsContact C-N 3.26Å; Q80-R82 HydrophobicContact CB-CG 3.97Å; Q80-R82 PolarHBondContact O-N 2.93Å
81G96.8Very high96.3Very high25 Ų2551 Ų5126%0.25827%0.272SS..THydrogen-bonded Turntrans67.821.8-179.500000114.9A77 A78 L83 H115 C118A77-G81 PolarHBondContact O-N 3.4Å; A78-G81 PolarHBondContact O-N 3.43Å; A78-G81 VanDerWaalsContact O-N 3.12Å; G81-L83 VanDerWaalsContact C-N 3.29Å; G81-L83 PolarHBondContact O-N 3.18Å; G81-H115 VanDerWaalsContact CA-ND1 3.26Å; G81-H115 WeakPolarHBondContact CA-ND1 3.46Å; G81-H115 PolarHBondContact N-CD2 3.3Å; G81-H115 PolarHBondContact N-NE2 3.43Å; G81-C118 VanDerWaalsContact C-SG 3.6Å
82R97.8Very high96.8Very high145 Ų14554.4 Ų54.455%0.54729%0.29SS..  trans-79.773.5-177.2-64.9-175.4-177.3-167.13.6111.5A77 Q80 L84 A85 L86A77-R82 HydrophobicContact CB-CB 4.46Å; A77-R82 PolarHBondContact O-N 3.02Å; Q80-R82 VanDerWaalsContact C-N 3.26Å; Q80-R82 HydrophobicContact CB-CG 3.97Å; Q80-R82 PolarHBondContact O-N 2.93Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-L84 PolarHBondContact O-N 2.71Å; R82-A85 HydrophobicContact CB-CB 3.92Å; R82-A85 PolarHBondContact O-N 3.08Å; R82-A85 VanDerWaalsContact O-N 3.1Å; R82-L86 WeakPolarHBondContact O-CB 3.38Å; R82-L86 PolarHBondContact O-N 2.97Å
83L97.9Very high96.9Very high45 Ų4556.3 Ų56.324%0.23631%0.314CS..Hα-helixtrans-50.5-45.7-175.6179.263.3000114.2G81 L86 R87 A117 T121G81-L83 VanDerWaalsContact C-N 3.29Å; G81-L83 PolarHBondContact O-N 3.18Å; L83-L86 PolarHBondContact O-N 3.39Å; L83-R87 HydrophobicContact CD1-CG 4.42Å; L83-R87 WeakPolarHBondContact O-CG 3.42Å; L83-R87 PolarHBondContact O-N 3.47Å; L83-A117 HydrophobicContact CD1-CB 4.24Å; L83-A117 HydrophobicContact CD2-CB 3.97Å; L83-T121 VanDerWaalsContact CD1-OG1 3.23Å; L83-T121 WeakPolarHBondContact CD1-OG1 3.41Å
84L98Very high96.9Very high134 Ų13457.8 Ų57.870%0.70231%0.312SS*.Hα-helixtrans-66.9-40.7-178.5-62.6179.1000112.2R82 T88R82-L84 VanDerWaalsContact C-N 3.33Å; R82-L84 PolarHBondContact O-N 2.71Å; L84-T88 WeakPolarHBondContact O-CB 3.32Å; L84-T88 PolarHBondContact O-N 3.17Å; L84-T88 PolarHBondContact O-OG1 3.1Å
85A97.9Very high96.9Very high39 Ų3962.6 Ų62.632%0.32234%0.337SS..Hα-helixtrans-65.2-43.6175.500000110.3A77 R82 R87 T88 L89A77-A85 HydrophobicContact CB-CB 4.28Å; R82-A85 HydrophobicContact CB-CB 3.92Å; R82-A85 PolarHBondContact O-N 3.08Å; R82-A85 VanDerWaalsContact O-N 3.1Å; A85-R87 PolarHBondContact O-N 3.31Å; A85-T88 WeakPolarHBondContact O-CB 3.31Å; A85-T88 PolarHBondContact O-N 3.08Å; A85-L89 VanDerWaalsContact O-CG 3.29Å; A85-L89 WeakPolarHBondContact O-CG 3.27Å; A85-L89 PolarHBondContact O-N 3.03Å
86L98Very high97Very high0 Ų063.2 Ų63.20%034%0.341CS..Hα-helixtrans-58.8-47.8177.3-172.7137.5000111.9L74 A77 A78 R82 L83 T88 L89 L90 C118 T121 L122L74-L86 HydrophobicContact CD1-CD1 4.31Å; L74-L86 HydrophobicContact CD1-CG 3.86Å; A77-L86 HydrophobicContact CB-CB 4.02Å; A78-L86 HydrophobicContact CB-CD1 3.87Å; R82-L86 WeakPolarHBondContact O-CB 3.38Å; R82-L86 PolarHBondContact O-N 2.97Å; L83-L86 PolarHBondContact O-N 3.39Å; L86-T88 VanDerWaalsContact C-N 3.34Å; L86-T88 PolarHBondContact O-N 3.44Å; L86-L89 PolarHBondContact O-N 2.97Å; L86-L90 HydrophobicContact CD2-CD1 3.78Å; L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 2.9Å; L86-C118 HydrophobicContact CD1-CB 4.02Å; L86-T121 HydrophobicContact CD2-CG2 3.59Å; L86-L122 HydrophobicContact CD1-CD1 4.14Å; L86-L122 HydrophobicContact CD1-CD2 4.04Å; L86-L122 HydrophobicContact CD1-CG 4.04Å; L86-L122 HydrophobicContact CD2-CD2 4.14Å; L86-L122 HydrophobicContact CD2-CG 4.14Å; L86-L122 HydrophobicContact CG-CD2 4.31Å
87R98.3Very high97.1Very high131 Ų13162.8 Ų62.849%0.49434%0.341SS..Hα-helixtrans-59.9-42.2174.7-75.5179.6174.7-174-3.1112.6L83 A85 L90 S91 T121L83-R87 HydrophobicContact CD1-CG 4.42Å; L83-R87 WeakPolarHBondContact O-CG 3.42Å; L83-R87 PolarHBondContact O-N 3.47Å; A85-R87 PolarHBondContact O-N 3.31Å; R87-L90 PolarHBondContact O-N 3.13Å; R87-S91 PolarHBondContact O-N 2.79Å; R87-T121 HydrophobicContact CG-CG2 3.73Å
88T98.1Very high96.9Very high71 Ų7163.7 Ų63.744%0.43635%0.348SS..Hα-helixtrans-62.8-46.3178.2-55.10000110.8L84 A85 L86 L90 S91 Q92L84-T88 WeakPolarHBondContact O-CB 3.32Å; L84-T88 PolarHBondContact O-N 3.17Å; L84-T88 PolarHBondContact O-OG1 3.1Å; A85-T88 WeakPolarHBondContact O-CB 3.31Å; A85-T88 PolarHBondContact O-N 3.08Å; L86-T88 VanDerWaalsContact C-N 3.34Å; L86-T88 PolarHBondContact O-N 3.44Å; T88-L90 PolarHBondContact O-N 3.02Å; T88-S91 PolarHBondContact O-N 3.24Å; T88-S91 PolarHBondContact O-OG 3.44Å; T88-Q92 WeakPolarHBondContact O-CG 3.38Å; T88-Q92 PolarHBondContact O-N 2.64Å; T88-Q92 VanDerWaalsContact O-N 3.1Å
89L97.7Very high96.8Very high22 Ų2267.4 Ų67.412%0.11537%0.371CS..Hα-helixtrans-61.5-43.6177.4-69.1167.9000111.8P73 L74 A77 A85 L86 S91 Q92 Y94P73-L89 HydrophobicContact CB-CD1 3.95Å; P73-L89 HydrophobicContact CB-CD2 4.02Å; P73-L89 WeakPolarHBondContact O-CD1 3.14Å; L74-L89 HydrophobicContact CD1-CB 3.99Å; L74-L89 HydrophobicContact CD1-CD1 4.3Å; A77-L89 HydrophobicContact CB-CD1 3.99Å; A85-L89 VanDerWaalsContact O-CG 3.29Å; A85-L89 WeakPolarHBondContact O-CG 3.27Å; A85-L89 PolarHBondContact O-N 3.03Å; L86-L89 PolarHBondContact O-N 2.97Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 PolarHBondContact O-N 3.48Å; L89-Q92 WeakPolarHBondContact O-CB 3.36Å; L89-Q92 PolarHBondContact O-N 3.29Å; L89-Q92 VanDerWaalsContact O-N 3.14Å; L89-Y94 HydrophobicContact CB-CD2 4.12Å; L89-Y94 HydrophobicContact CB-CG 4.27Å; L89-Y94 HydrophobicContact CD2-CD2 3.96Å; L89-Y94 HydrophobicContact CD2-CE1 4.3Å; L89-Y94 HydrophobicContact CD2-CE2 3.61Å; L89-Y94 HydrophobicContact CD2-CG 4.41Å; L89-Y94 WeakPolarHBondContact O-CB 3.43Å; L89-Y94 WeakPolarHBondContact O-CD2 3.48Å; L89-Y94 PolarHBondContact O-N 2.92Å
90L97.7Very high96.6Very high32 Ų3266.6 Ų66.617%0.16837%0.365CS..Hα-helixtrans-61.5-41.9175.6-69.5172.9000111.9L74 L86 R87 T88 Q92 G93 V96 T121 L122 A125L74-L90 HydrophobicContact CD1-CD2 4.14Å; L74-L90 HydrophobicContact CD1-CG 4.12Å; L74-L90 HydrophobicContact CD2-CD2 3.89Å; L86-L90 HydrophobicContact CD2-CD1 3.78Å; L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 2.9Å; R87-L90 PolarHBondContact O-N 3.13Å; T88-L90 PolarHBondContact O-N 3.02Å; L90-Q92 PolarHBondContact O-N 3.41Å; L90-G93 PolarHBondContact O-N 2.89Å; L90-V96 HydrophobicContact CD2-CB 3.98Å; L90-V96 HydrophobicContact CD2-CG2 4.08Å; L90-T121 HydrophobicContact CD1-CG2 3.87Å; L90-L122 HydrophobicContact CD1-CD2 4.49Å; L90-A125 HydrophobicContact CD1-CB 3.89Å; L90-A125 HydrophobicContact CD2-CB 4.24Å
91S97.3Very high96.3Very high98 Ų9867.5 Ų67.569%0.68537%0.372SS*.Hα-helixtrans-64.5-24.2176.475.40000113.8R87 T88 L89 G93R87-S91 PolarHBondContact O-N 2.79Å; T88-S91 PolarHBondContact O-N 3.24Å; T88-S91 PolarHBondContact O-OG 3.44Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 PolarHBondContact O-N 3.48Å; S91-G93 PolarHBondContact O-N 3.33Å
92Q96.9Very high95.9Very high123 Ų12368.8 Ų68.858%0.57537%0.373SS*.THydrogen-bonded Turntrans-821174.8-69.9173-4.600113.1T88 L89 L90 Y94T88-Q92 WeakPolarHBondContact O-CG 3.38Å; T88-Q92 PolarHBondContact O-N 2.64Å; T88-Q92 VanDerWaalsContact O-N 3.1Å; L89-Q92 WeakPolarHBondContact O-CB 3.36Å; L89-Q92 PolarHBondContact O-N 3.29Å; L89-Q92 VanDerWaalsContact O-N 3.14Å; L90-Q92 PolarHBondContact O-N 3.41Å; Q92-Y94 HydrophobicContact CB-CD2 4.06Å; Q92-Y94 HydrophobicContact CB-CE2 4.22Å
93G93.8Very high95.7Very high66 Ų6666.5 Ų66.568%0.6837%0.368SS*.THydrogen-bonded Turntrans85.218.7177.600000114.5L90 S91 N95L90-G93 PolarHBondContact O-N 2.89Å; S91-G93 PolarHBondContact O-N 3.33Å; G93-N95 PolarHBondContact O-N 3.18Å
94Y95.8Very high95.6Very high97 Ų9765.6 Ų65.638%0.3836%0.364SS..  trans-61.7135170.8-81.5-105000110.3P73 L89 Q92 V96P73-Y94 HydrophobicContact CB-CE1 4.27Å; P73-Y94 HydrophobicContact CG-CE1 3.88Å; L89-Y94 HydrophobicContact CB-CD2 4.12Å; L89-Y94 HydrophobicContact CB-CG 4.27Å; L89-Y94 HydrophobicContact CD2-CD2 3.96Å; L89-Y94 HydrophobicContact CD2-CE1 4.3Å; L89-Y94 HydrophobicContact CD2-CE2 3.61Å; L89-Y94 HydrophobicContact CD2-CG 4.41Å; L89-Y94 WeakPolarHBondContact O-CB 3.43Å; L89-Y94 WeakPolarHBondContact O-CD2 3.48Å; L89-Y94 PolarHBondContact O-N 2.92Å; Q92-Y94 HydrophobicContact CB-CD2 4.06Å; Q92-Y94 HydrophobicContact CB-CE2 4.22Å; Y94-V96 PolarHBondContact O-N 3.46Å; Y94-V96 VanDerWaalsContact O-N 3.17Å
95N95.5Very high95.6Very high101 Ų10159.5 Ų59.554%0.5433%0.333SS..  trans-65.3116.2177.4-177.73.6000110.5G93 N97 A98G93-N95 PolarHBondContact O-N 3.18Å; N95-N97 PolarHBondContact O-N 2.86Å; N95-N97 PolarHBondContact OD1-N 3.42Å; N95-A98 WeakPolarHBondContact O-CB 3.34Å; N95-A98 PolarHBondContact O-N 2.92Å; N95-A98 VanDerWaalsContact O-N 3.12Å
96V97.4Very high95.5Very high14 Ų1457.6 Ų57.69%0.08532%0.317CS..THydrogen-bonded Turntrans-60.4-30.817771.10000112.7L90 Y94 A98 L122 A125 A127L90-V96 HydrophobicContact CD2-CB 3.98Å; L90-V96 HydrophobicContact CD2-CG2 4.08Å; Y94-V96 PolarHBondContact O-N 3.46Å; Y94-V96 VanDerWaalsContact O-N 3.17Å; V96-A98 VanDerWaalsContact C-N 3.34Å; V96-L122 HydrophobicContact CG2-CB 4.29Å; V96-L122 HydrophobicContact CG2-CD2 3.75Å; V96-L122 WeakPolarHBondContact CG2-O 3.11Å; V96-A125 HydrophobicContact CB-CB 4.47Å; V96-A125 HydrophobicContact CG2-CB 4.06Å; V96-A127 HydrophobicContact CG2-CB 3.84Å
97N97.1Very high95.6Very high60 Ų6057.6 Ų57.632%0.32132%0.317SS..THydrogen-bonded Turntrans-97.725.1179.4-66.4-53.2000111.9N95 V99 G126 A127 N128N95-N97 PolarHBondContact O-N 2.86Å; N95-N97 PolarHBondContact OD1-N 3.42Å; N97-V99 PolarHBondContact O-N 3.44Å; N97-G126 PolarHBondContact ND2-O 2.98Å; N97-A127 WeakPolarHBondContact OD1-CA 3.4Å; N97-N128 PolarHBondContact OD1-N 3.39Å
98A94.8Very high95.6Very high22 Ų2251.4 Ų51.418%0.18229%0.294CS..  trans-56.8137.4169.900000109.6H75 N95 V96 P106H75-A98 PolarHBondContact CE1-O 3.46Å; N95-A98 WeakPolarHBondContact O-CB 3.34Å; N95-A98 PolarHBondContact O-N 2.92Å; N95-A98 VanDerWaalsContact O-N 3.12Å; V96-A98 VanDerWaalsContact C-N 3.34Å; A98-P106 WeakPolarHBondContact O-CD 3.22Å
99V94.8Very high95.5Very high79 Ų7948.9 Ų48.948%0.47928%0.277SS..  trans-120.3145.8179.7-720000110.8N97 V104 T105N97-V99 PolarHBondContact O-N 3.44Å; V99-V104 CarbonylContact C-O 3.58Å; V99-V104 VanDerWaalsContact CA-O 3.26Å; V99-V104 WeakPolarHBondContact CA-O 3.42Å; V99-T105 HydrophobicContact CG1-CG2 3.76Å
100T91.8Very high95.6Very high10 Ų1047.8 Ų47.86%0.06127%0.271CS..  trans-76.6176.6162.467.30000110.7D70 R71 D102 H103 V104D70-T100 VanDerWaalsContact OD2-C 3.3Å; D70-T100 WeakPolarHBondContact OD2-CA 3.5Å; D70-T100 VanDerWaalsContact OD2-CB 3.23Å; D70-T100 WeakPolarHBondContact OD2-CB 3.38Å; R71-T100 HydrophobicContact CG-CG2 4.25Å; T100-D102 PolarHBondContact O-N 2.87Å; T100-D102 PolarHBondContact OG1-N 3.29Å; T100-H103 WeakPolarHBondContact O-CA 3.47Å; T100-H103 PolarHBondContact O-N 3.25Å; T100-V104 HydrophobicContact CG2-CB 4.26Å; T100-V104 PolarHBondContact N-O 2.89Å; T100-V104 VanDerWaalsContact OG1-CB 3.32Å; T100-V104 WeakPolarHBondContact OG1-CB 3.48Å; T100-V104 PolarHBondContact OG1-N 3.46Å; T100-V104 VanDerWaalsContact OG1-N 3.13Å
101L88.8Confident95.6Very high104 Ų10446.3 Ų46.355%0.54526%0.263SS..THydrogen-bonded Turntrans-57-35172.2-72172.9000110.9D70 H103 I134D70-L101 VanDerWaalsContact OD2-CG 3.3Å; D70-L101 WeakPolarHBondContact OD2-CG 3.46Å; D70-L101 PolarHBondContact OD2-N 3.35Å; L101-H103 PolarHBondContact O-N 2.99Å; L101-I134 VanDerWaalsContact O-CD1 3.3Å; L101-I134 WeakPolarHBondContact O-CD1 3.42Å
102D88.3Confident95.5Very high51 Ų5145.2 Ų45.227%0.27325%0.249SC..THydrogen-bonded Turntrans-83.411177.3-57.2-35.7000112.4G66 S67 T100 V104 T133 I134G66-D102 VanDerWaalsContact CA-OD2 3.25Å; G66-D102 WeakPolarHBondContact CA-OD2 3.35Å; S67-D102 PolarHBondContact N-OD2 3.3Å; T100-D102 PolarHBondContact O-N 2.87Å; T100-D102 PolarHBondContact OG1-N 3.29Å; D102-V104 HydrophobicContact CB-CG2 4.07Å; D102-V104 PolarHBondContact O-N 3.45Å; D102-T133 WeakPolarHBondContact O-CA 3.42Å; D102-T133 WeakPolarHBondContact O-CB 3.46Å; D102-I134 PolarHBondContact O-N 3.04Å
103H93.4Very high95.4Very high98 Ų9840.7 Ų40.745%0.45424%0.236SC..  trans60.222.5-176.4-70.2-100.1000114.3T100 L101 I134T100-H103 WeakPolarHBondContact O-CA 3.47Å; T100-H103 PolarHBondContact O-N 3.25Å; L101-H103 PolarHBondContact O-N 2.99Å; H103-I134 HydrophobicContact CB-CG1 4.45Å
104V95.8Very high95.5Very high25 Ų2541.1 Ų41.115%0.15222%0.223CC..  trans-74.2135.5174.1-175.20000108.9H75 V99 T100 D102 H108 E109 T133H75-V104 PolarHBondContact NE2-O 3.44Å; V99-V104 CarbonylContact C-O 3.58Å; V99-V104 VanDerWaalsContact CA-O 3.26Å; V99-V104 WeakPolarHBondContact CA-O 3.42Å; T100-V104 HydrophobicContact CG2-CB 4.26Å; T100-V104 PolarHBondContact N-O 2.89Å; T100-V104 VanDerWaalsContact OG1-CB 3.32Å; T100-V104 WeakPolarHBondContact OG1-CB 3.48Å; T100-V104 PolarHBondContact OG1-N 3.46Å; T100-V104 VanDerWaalsContact OG1-N 3.13Å; D102-V104 HydrophobicContact CB-CG2 4.07Å; D102-V104 PolarHBondContact O-N 3.45Å; V104-H108 HydrophobicContact CG1-CB 3.78Å; V104-E109 HydrophobicContact CG1-CG 4.17Å; V104-T133 HydrophobicContact CG2-CG2 3.95Å
105T97.6Very high95.6Very high6 Ų638.9 Ų38.94%0.03722%0.215CC..  trans-107.2163.4175.6680000111V99 L107 H108 E109 A131V99-T105 HydrophobicContact CG1-CG2 3.76Å; T105-L107 PolarHBondContact O-N 3.41Å; T105-L107 VanDerWaalsContact O-N 3.13Å; T105-L107 PolarHBondContact OG1-N 3.29Å; T105-H108 PolarHBondContact N-ND1 2.9Å; T105-H108 WeakPolarHBondContact O-CB 3.29Å; T105-H108 PolarHBondContact O-N 3.38Å; T105-H108 PolarHBondContact OG1-N 3.47Å; T105-H108 PolarHBondContact OG1-ND1 2.92Å; T105-E109 PolarHBondContact O-N 3.18Å; T105-A131 HydrophobicContact CG2-CB 3.86Å
106P97.9Very high95.8Very high0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-56.4-30172.3-26.134.5000113.2L74 H75 A78 A98 E109 A110 L122L74-P106 HydrophobicContact CB-CG 4.08Å; L74-P106 HydrophobicContact CD2-CB 4.35Å; L74-P106 HydrophobicContact CD2-CG 3.85Å; L74-P106 HydrophobicContact CG-CB 4.02Å; L74-P106 HydrophobicContact CG-CG 3.82Å; H75-P106 WeakPolarHBondContact NE2-CD 3.26Å; A78-P106 HydrophobicContact CB-CB 4.01Å; A78-P106 WeakPolarHBondContact CB-O 3.19Å; A98-P106 WeakPolarHBondContact O-CD 3.22Å; P106-E109 PolarHBondContact O-N 3.27Å; P106-A110 PolarHBondContact O-N 3.48Å; P106-L122 HydrophobicContact CB-CD1 3.95Å; P106-L122 HydrophobicContact CB-CD2 4.05Å
107L98.6Very high95.8Very high0 Ų037.3 Ų37.30%022%0.215CC..Hα-helixtrans-66.4-38.8177.4-176.262.5000111.6T105 E109 A110 C111 A119 L122 L123 A127 P139 L155T105-L107 PolarHBondContact O-N 3.41Å; T105-L107 VanDerWaalsContact O-N 3.13Å; T105-L107 PolarHBondContact OG1-N 3.29Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 2.95Å; L107-A110 PolarHBondContact O-N 3.3Å; L107-C111 PolarHBondContact O-N 2.91Å; L107-C111 PolarHBondContact O-SG 2.92Å; L107-A119 HydrophobicContact CD1-CB 3.99Å; L107-L122 HydrophobicContact CB-CD1 4.36Å; L107-L122 HydrophobicContact CD1-CB 4.3Å; L107-L122 HydrophobicContact CD1-CD1 4.46Å; L107-L123 HydrophobicContact CD1-CD2 4.37Å; L107-L123 HydrophobicContact CD1-CG 4.09Å; L107-L123 HydrophobicContact CD2-CD2 3.76Å; L107-L123 HydrophobicContact CD2-CG 4.38Å; L107-A127 HydrophobicContact CB-CB 4.32Å; L107-A127 HydrophobicContact CD2-CB 4.02Å; L107-P139 HydrophobicContact CD2-CB 4.11Å; L107-P139 HydrophobicContact CD2-CG 3.87Å; L107-P139 HydrophobicContact CG-CB 3.97Å; L107-P139 HydrophobicContact CG-CG 4Å; L107-L155 HydrophobicContact CD1-CD2 4.36Å; L107-L155 HydrophobicContact CD2-CD2 4.19Å; L107-L155 HydrophobicContact CG-CD2 4.46Å
108H98.2Very high95.9Very high1 Ų134.6 Ų34.61%0.00520%0.2CC..Hα-helixtrans-58.8-45173.7-72.693.9000111.9V104 T105 C111 L112 A131 V137 P139 N142V104-H108 HydrophobicContact CG1-CB 3.78Å; T105-H108 PolarHBondContact N-ND1 2.9Å; T105-H108 WeakPolarHBondContact O-CB 3.29Å; T105-H108 PolarHBondContact O-N 3.38Å; T105-H108 PolarHBondContact OG1-N 3.47Å; T105-H108 PolarHBondContact OG1-ND1 2.92Å; H108-C111 PolarHBondContact O-N 3.48Å; H108-L112 VanDerWaalsContact O-CB 3.32Å; H108-L112 WeakPolarHBondContact O-CB 3.43Å; H108-L112 PolarHBondContact O-N 3.49Å; H108-A131 PolarHBondContact NE2-O 3.15Å; H108-V137 PolarHBondContact NE2-O 3.21Å; H108-V137 VanDerWaalsContact NE2-O 3.13Å; H108-P139 WeakPolarHBondContact NE2-CD 3.19Å; H108-N142 PolarHBondContact O-ND2 3.4Å
109E97.4Very high96.1Very high17 Ų1733.5 Ų33.58%0.07919%0.192CC..Hα-helixtrans-66.7-41.3-179.8-65.2-72.4155.100111.8R71 A78 S79 V104 T105 P106 L107 C111 L112 G113R71-E109 IonicContact CZ-OE1 3.78Å; R71-E109 VanDerWaalsContact CZ-OE1 3.25Å; R71-E109 IonicContact CZ-OE2 3.37Å; R71-E109 VanDerWaalsContact NH1-CD 3.3Å; R71-E109 IonicContact NH1-OE1 2.93Å; R71-E109 PolarHBondContact NH1-OE1 2.98Å; R71-E109 IonicContact NH1-OE2 3.2Å; R71-E109 PolarHBondContact NH1-OE2 3.35Å; R71-E109 IonicContact NH2-OE1 2.78Å; R71-E109 PolarHBondContact NH2-OE1 3.44Å; R71-E109 IonicContact NH2-OE2 3.75Å; R71-E109 PolarHBondContact NH2-OE2 3.32Å; A78-E109 HydrophobicContact CB-CB 4.23Å; S79-E109 WeakPolarHBondContact CB-OE2 3.46Å; V104-E109 HydrophobicContact CG1-CG 4.17Å; T105-E109 PolarHBondContact O-N 3.18Å; P106-E109 PolarHBondContact O-N 3.27Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 2.95Å; E109-C111 PolarHBondContact O-N 2.95Å; E109-L112 PolarHBondContact O-N 3.27Å; E109-G113 PolarHBondContact O-N 3.23Å
110A98.3Very high96.3Very high0 Ų034.5 Ų34.50%019%0.187CC..Hα-helixtrans-61.7-43.9175.400000111.7A78 P106 L107 G113 D114 H115 C118 A119 L122A78-A110 HydrophobicContact CB-CB 4.2Å; P106-A110 PolarHBondContact O-N 3.48Å; L107-A110 PolarHBondContact O-N 3.3Å; A110-G113 PolarHBondContact O-N 3.31Å; A110-D114 PolarHBondContact O-N 3.25Å; A110-H115 HydrophobicContact CB-CB 4.41Å; A110-H115 PolarHBondContact O-N 3.2Å; A110-C118 HydrophobicContact CB-CB 4.05Å; A110-A119 HydrophobicContact CB-CB 4.13Å; A110-L122 HydrophobicContact CB-CD1 4.06Å
111C98.2Very high96.6Very high0 Ų034.6 Ų34.60%019%0.187CC..Hα-helixtrans-70.9-37179.7-64.80000112.8L107 H108 E109 G113 D114 P139 N142 A143L107-C111 PolarHBondContact O-N 2.91Å; L107-C111 PolarHBondContact O-SG 2.92Å; H108-C111 PolarHBondContact O-N 3.48Å; E109-C111 PolarHBondContact O-N 2.95Å; C111-G113 VanDerWaalsContact C-N 3.26Å; C111-G113 PolarHBondContact O-N 3.22Å; C111-D114 PolarHBondContact O-N 3.43Å; C111-P139 WeakPolarHBondContact CB-O 3.37Å; C111-N142 HydrophobicContact CB-CB 4.14Å; C111-A143 HydrophobicContact CB-CB 4.22Å
112L95.6Very high97.1Very high75 Ų7529.7 Ų29.739%0.39316%0.161SC..Hα-helixtrans-66-30.6175.2-172.864.2000112H108 E109 N142 Q146H108-L112 VanDerWaalsContact O-CB 3.32Å; H108-L112 WeakPolarHBondContact O-CB 3.43Å; H108-L112 PolarHBondContact O-N 3.49Å; E109-L112 PolarHBondContact O-N 3.27Å; L112-N142 HydrophobicContact CB-CB 4.14Å; L112-N142 HydrophobicContact CD1-CB 4.41Å; L112-Q146 VanDerWaalsContact O-CD 3.31Å; L112-Q146 VanDerWaalsContact O-CG 3.24Å; L112-Q146 WeakPolarHBondContact O-CG 3.41Å; L112-Q146 PolarHBondContact O-OE1 3.46Å
113G93.6Very high97.6Very high28 Ų2827.7 Ų27.729%0.28915%0.151SC..THydrogen-bonded Turntrans-91.54.5177.800000115.7E109 A110 C111 H115E109-G113 PolarHBondContact O-N 3.23Å; A110-G113 PolarHBondContact O-N 3.31Å; C111-G113 VanDerWaalsContact C-N 3.26Å; C111-G113 PolarHBondContact O-N 3.22Å; G113-H115 PolarHBondContact O-CE1 2.79Å; G113-H115 VanDerWaalsContact O-CE1 3.31Å; G113-H115 PolarHBondContact O-N 3.34Å; G113-H115 PolarHBondContact O-NE2 2.85Å
114D97.2Very high97.8Very high75 Ų7528.6 Ų28.640%0.40116%0.155SC..THydrogen-bonded Turntrans56.233.5-172.9-171.324.3000113.9A110 C111 V116 Q146 S148A110-D114 PolarHBondContact O-N 3.25Å; C111-D114 PolarHBondContact O-N 3.43Å; D114-V116 VanDerWaalsContact C-N 3.34Å; D114-V116 PolarHBondContact O-N 3.42Å; D114-V116 VanDerWaalsContact O-N 3.1Å; D114-Q146 HydrophobicContact CB-CG 4.13Å; D114-S148 WeakPolarHBondContact OD1-CB 3.45Å; D114-S148 PolarHBondContact OD1-OG 3.16Å
115H98.3Very high97.9Very high50 Ų5029.7 Ų29.723%0.23117%0.167CC..  trans-90.667-178.6-60.3-55.2000111.2A78 S79 G81 A110 G113 A117 C118 A119A78-H115 PolarHBondContact O-CD2 2.91Å; S79-H115 PolarHBondContact O-CD2 2.83Å; S79-H115 PolarHBondContact O-NE2 3.43Å; G81-H115 VanDerWaalsContact CA-ND1 3.26Å; G81-H115 WeakPolarHBondContact CA-ND1 3.46Å; G81-H115 PolarHBondContact N-CD2 3.3Å; G81-H115 PolarHBondContact N-NE2 3.43Å; A110-H115 HydrophobicContact CB-CB 4.41Å; A110-H115 PolarHBondContact O-N 3.2Å; G113-H115 PolarHBondContact O-CE1 2.79Å; G113-H115 VanDerWaalsContact O-CE1 3.31Å; G113-H115 PolarHBondContact O-N 3.34Å; G113-H115 PolarHBondContact O-NE2 2.85Å; H115-A117 VanDerWaalsContact C-N 3.26Å; H115-A117 PolarHBondContact O-N 3.39Å; H115-A117 VanDerWaalsContact O-N 3.13Å; H115-C118 HydrophobicContact CB-CB 3.91Å; H115-C118 WeakPolarHBondContact O-CA 3.19Å; H115-C118 WeakPolarHBondContact O-CB 3.46Å; H115-C118 PolarHBondContact O-N 3.36Å; H115-A119 PolarHBondContact O-N 2.87Å
116V98.3Very high97.9Very high34 Ų3431.6 Ų31.621%0.20619%0.188CC..Hα-helixtrans-50-43-174.4-174.60000112.8D114 C118 A119 R120 C151 L154D114-V116 VanDerWaalsContact C-N 3.34Å; D114-V116 PolarHBondContact O-N 3.42Å; D114-V116 VanDerWaalsContact O-N 3.1Å; V116-C118 PolarHBondContact O-N 2.98Å; V116-A119 PolarHBondContact O-N 3.04Å; V116-R120 WeakPolarHBondContact O-CB 3.43Å; V116-R120 PolarHBondContact O-N 3.38Å; V116-C151 VanDerWaalsContact CG2-SG 3.6Å; V116-L154 HydrophobicContact CG1-CD2 4.23Å
117A98.6Very high97.9Very high49 Ų4932.1 Ų32.141%0.40519%0.192SC..Hα-helixtrans-67.7-35.9-179.600000112.8L83 H115 T121L83-A117 HydrophobicContact CD1-CB 4.24Å; L83-A117 HydrophobicContact CD2-CB 3.97Å; H115-A117 VanDerWaalsContact C-N 3.26Å; H115-A117 PolarHBondContact O-N 3.39Å; H115-A117 VanDerWaalsContact O-N 3.13Å; A117-T121 WeakPolarHBondContact O-CB 3.47Å; A117-T121 PolarHBondContact O-N 3.43Å; A117-T121 VanDerWaalsContact O-N 3.1Å; A117-T121 PolarHBondContact O-OG1 2.97Å
118C98.6Very high97.9Very high2 Ų236 Ų361%0.01421%0.213CC..Hα-helixtrans-68.5-46.8173.1-710000110.5G81 L86 A110 H115 V116 R120 T121 L122G81-C118 VanDerWaalsContact C-SG 3.6Å; L86-C118 HydrophobicContact CD1-CB 4.02Å; A110-C118 HydrophobicContact CB-CB 4.05Å; H115-C118 HydrophobicContact CB-CB 3.91Å; H115-C118 WeakPolarHBondContact O-CA 3.19Å; H115-C118 WeakPolarHBondContact O-CB 3.46Å; H115-C118 PolarHBondContact O-N 3.36Å; V116-C118 PolarHBondContact O-N 2.98Å; C118-R120 VanDerWaalsContact C-N 3.32Å; C118-R120 PolarHBondContact O-N 3.18Å; C118-T121 PolarHBondContact O-N 3.31Å; C118-L122 VanDerWaalsContact O-CG 3.29Å; C118-L122 WeakPolarHBondContact O-CG 3.1Å; C118-L122 PolarHBondContact O-N 3.3Å
119A98.6Very high97.9Very high0 Ų036.6 Ų36.60%022%0.217CC..Hα-helixtrans-56.2-46.7176.800000111.4L107 A110 H115 V116 T121 L122 L123 L154L107-A119 HydrophobicContact CD1-CB 3.99Å; A110-A119 HydrophobicContact CB-CB 4.13Å; H115-A119 PolarHBondContact O-N 2.87Å; V116-A119 PolarHBondContact O-N 3.04Å; A119-T121 PolarHBondContact O-N 2.87Å; A119-L122 PolarHBondContact O-N 3.35Å; A119-L123 VanDerWaalsContact O-CG 3.3Å; A119-L123 WeakPolarHBondContact O-CG 3.3Å; A119-L123 PolarHBondContact O-N 2.96Å; A119-L154 HydrophobicContact CB-CD2 4.19Å
120R98.8Very high97.9Very high99 Ų9938.1 Ų38.137%0.37423%0.225SC..Hα-helixtrans-57.9-49.2175.3-173.8-179.4-57.3-76.5-4.6112.3V116 C118 L122 L123 E124 L154V116-R120 WeakPolarHBondContact O-CB 3.43Å; V116-R120 PolarHBondContact O-N 3.38Å; C118-R120 VanDerWaalsContact C-N 3.32Å; C118-R120 PolarHBondContact O-N 3.18Å; R120-L122 VanDerWaalsContact C-N 3.29Å; R120-L122 PolarHBondContact O-N 2.98Å; R120-L123 PolarHBondContact O-N 3.46Å; R120-E124 HydrophobicContact CG-CG 4.41Å; R120-E124 WeakPolarHBondContact CG-OE1 3.4Å; R120-E124 WeakPolarHBondContact O-CB 3.42Å; R120-E124 VanDerWaalsContact O-CG 3.32Å; R120-E124 WeakPolarHBondContact O-CG 3.33Å; R120-E124 PolarHBondContact O-N 2.94Å; R120-L154 HydrophobicContact CB-CD2 3.8Å; R120-L154 HydrophobicContact CG-CD1 4.48Å
121T98.6Very high97.8Very high13 Ų1338.6 Ų38.68%0.0823%0.229CC..Hα-helixtrans-62.8-37.7-179.9-570000111.7L83 L86 R87 L90 A117 C118 A119 A125L83-T121 VanDerWaalsContact CD1-OG1 3.23Å; L83-T121 WeakPolarHBondContact CD1-OG1 3.41Å; L86-T121 HydrophobicContact CD2-CG2 3.59Å; R87-T121 HydrophobicContact CG-CG2 3.73Å; L90-T121 HydrophobicContact CD1-CG2 3.87Å; A117-T121 WeakPolarHBondContact O-CB 3.47Å; A117-T121 PolarHBondContact O-N 3.43Å; A117-T121 VanDerWaalsContact O-N 3.1Å; A117-T121 PolarHBondContact O-OG1 2.97Å; C118-T121 PolarHBondContact O-N 3.31Å; A119-T121 PolarHBondContact O-N 2.87Å; T121-A125 WeakPolarHBondContact O-CB 3.28Å; T121-A125 PolarHBondContact O-N 3.21Å; T121-A125 VanDerWaalsContact O-N 3.11Å
122L98.6Very high97.7Very high0 Ų042.9 Ų42.90%025%0.251CS..Hα-helixtrans-66.5-43.9175.6-70168.9000111.4L74 A78 L86 L90 V96 P106 L107 A110 C118 A119 R120 A125 G126 A127L74-L122 HydrophobicContact CD1-CD2 4.42Å; L74-L122 HydrophobicContact CD2-CD2 4.23Å; L74-L122 HydrophobicContact CG-CD2 4.33Å; A78-L122 HydrophobicContact CB-CD1 4.26Å; L86-L122 HydrophobicContact CD1-CD1 4.14Å; L86-L122 HydrophobicContact CD1-CD2 4.04Å; L86-L122 HydrophobicContact CD1-CG 4.04Å; L86-L122 HydrophobicContact CD2-CD2 4.14Å; L86-L122 HydrophobicContact CD2-CG 4.14Å; L86-L122 HydrophobicContact CG-CD2 4.31Å; L90-L122 HydrophobicContact CD1-CD2 4.49Å; V96-L122 HydrophobicContact CG2-CB 4.29Å; V96-L122 HydrophobicContact CG2-CD2 3.75Å; V96-L122 WeakPolarHBondContact CG2-O 3.11Å; P106-L122 HydrophobicContact CB-CD1 3.95Å; P106-L122 HydrophobicContact CB-CD2 4.05Å; L107-L122 HydrophobicContact CB-CD1 4.36Å; L107-L122 HydrophobicContact CD1-CB 4.3Å; L107-L122 HydrophobicContact CD1-CD1 4.46Å; A110-L122 HydrophobicContact CB-CD1 4.06Å; C118-L122 VanDerWaalsContact O-CG 3.29Å; C118-L122 WeakPolarHBondContact O-CG 3.1Å; C118-L122 PolarHBondContact O-N 3.3Å; A119-L122 PolarHBondContact O-N 3.35Å; R120-L122 VanDerWaalsContact C-N 3.29Å; R120-L122 PolarHBondContact O-N 2.98Å; L122-A125 CarbonylContact O-C 3.55Å; L122-A125 PolarHBondContact O-N 2.96Å; L122-G126 PolarHBondContact O-N 3.1Å; L122-A127 HydrophobicContact CB-CB 4.04Å; L122-A127 WeakPolarHBondContact O-CB 3.24Å; L122-A127 PolarHBondContact O-N 3.28Å
123L98.7Very high97.5Very high9 Ų940 Ų405%0.04724%0.236CC..Hα-helixtrans-63.9-44.8177.3-71.5166.8000112.2L107 A119 R120 A125 G126 V129 L154 L155 Y158L107-L123 HydrophobicContact CD1-CD2 4.37Å; L107-L123 HydrophobicContact CD1-CG 4.09Å; L107-L123 HydrophobicContact CD2-CD2 3.76Å; L107-L123 HydrophobicContact CD2-CG 4.38Å; A119-L123 VanDerWaalsContact O-CG 3.3Å; A119-L123 WeakPolarHBondContact O-CG 3.3Å; A119-L123 PolarHBondContact O-N 2.96Å; R120-L123 PolarHBondContact O-N 3.46Å; L123-A125 PolarHBondContact O-N 2.88Å; L123-G126 PolarHBondContact O-N 3.15Å; L123-V129 HydrophobicContact CD2-CB 3.89Å; L123-V129 HydrophobicContact CD2-CG2 3.93Å; L123-L154 HydrophobicContact CD1-CD1 4.34Å; L123-L154 HydrophobicContact CD1-CD2 4.04Å; L123-L154 HydrophobicContact CD1-CG 3.8Å; L123-L155 HydrophobicContact CD1-CD2 4.26Å; L123-Y158 HydrophobicContact CB-CD1 3.71Å; L123-Y158 HydrophobicContact CB-CD2 4.47Å; L123-Y158 HydrophobicContact CB-CE1 3.68Å; L123-Y158 HydrophobicContact CB-CE2 4.45Å; L123-Y158 HydrophobicContact CB-CG 4.11Å; L123-Y158 HydrophobicContact CD1-CD1 4.41Å; L123-Y158 HydrophobicContact CD1-CD2 3.96Å; L123-Y158 HydrophobicContact CD1-CE2 4.42Å; L123-Y158 HydrophobicContact CD1-CG 3.93Å; L123-Y158 HydrophobicContact CD2-CD1 4.22Å; L123-Y158 HydrophobicContact CD2-CG 4.22Å; L123-Y158 HydrophobicContact CG-CD1 4.33Å; L123-Y158 HydrophobicContact CG-CG 4.32Å
124E98.4Very high97.3Very high118 Ų11843.7 Ų43.755%0.55125%0.249SC*.Hα-helixtrans-58.9-31.7173.4-73.1170.4179.700112.1R120 G126 Y158R120-E124 HydrophobicContact CG-CG 4.41Å; R120-E124 WeakPolarHBondContact CG-OE1 3.4Å; R120-E124 WeakPolarHBondContact O-CB 3.42Å; R120-E124 VanDerWaalsContact O-CG 3.32Å; R120-E124 WeakPolarHBondContact O-CG 3.33Å; R120-E124 PolarHBondContact O-N 2.94Å; E124-G126 VanDerWaalsContact C-N 3.27Å; E124-G126 PolarHBondContact O-N 3.27Å; E124-Y158 WeakPolarHBondContact CG-OH 3.49Å
125A97.9Very high96.8Very high47 Ų4746 Ų4639%0.38826%0.261SS..THydrogen-bonded Turntrans-82.53.6175.400000114.2L90 V96 T121 L122 L123L90-A125 HydrophobicContact CD1-CB 3.89Å; L90-A125 HydrophobicContact CD2-CB 4.24Å; V96-A125 HydrophobicContact CB-CB 4.47Å; V96-A125 HydrophobicContact CG2-CB 4.06Å; T121-A125 WeakPolarHBondContact O-CB 3.28Å; T121-A125 PolarHBondContact O-N 3.21Å; T121-A125 VanDerWaalsContact O-N 3.11Å; L122-A125 CarbonylContact O-C 3.55Å; L122-A125 PolarHBondContact O-N 2.96Å; L123-A125 PolarHBondContact O-N 2.88Å
126G97.8Very high96.4Very high47 Ų4743.9 Ų43.949%0.48525%0.252SS..THydrogen-bonded Turntrans88.927.8177.200000114.8N97 L122 L123 E124N97-G126 PolarHBondContact ND2-O 2.98Å; L122-G126 PolarHBondContact O-N 3.1Å; L123-G126 PolarHBondContact O-N 3.15Å; E124-G126 VanDerWaalsContact C-N 3.27Å; E124-G126 PolarHBondContact O-N 3.27Å
127A98.4Very high96.2Very high11 Ų1143.3 Ų43.39%0.09125%0.249CC..  trans-59.8136.9169.700000111.1V96 N97 L107 L122 V129V96-A127 HydrophobicContact CG2-CB 3.84Å; N97-A127 WeakPolarHBondContact OD1-CA 3.4Å; L107-A127 HydrophobicContact CB-CB 4.32Å; L107-A127 HydrophobicContact CD2-CB 4.02Å; L122-A127 HydrophobicContact CB-CB 4.04Å; L122-A127 WeakPolarHBondContact O-CB 3.24Å; L122-A127 PolarHBondContact O-N 3.28Å; A127-V129 PolarHBondContact O-N 2.92Å; A127-V129 VanDerWaalsContact O-N 3.08Å
128N98.2Very high96.2Very high82 Ų8241.1 Ų41.144%0.43923%0.231SC..  trans-70.9104.5173179.39.8000110.2N97 N130 A131N97-N128 PolarHBondContact OD1-N 3.39Å; N128-N130 PolarHBondContact O-N 3.18Å; N128-N130 PolarHBondContact OD1-N 3.48Å; N128-A131 HydrophobicContact CB-CB 4.27Å; N128-A131 WeakPolarHBondContact O-CB 3.48Å; N128-A131 PolarHBondContact O-N 3.31Å; N128-A131 PolarHBondContact OD1-N 3.49Å
129V98.2Very high96.1Very high13 Ų1341 Ų418%0.07923%0.23CC..THydrogen-bonded Turntrans-60.6-27.6179.474.30000113.5L123 A127 P139 L155 A160L123-V129 HydrophobicContact CD2-CB 3.89Å; L123-V129 HydrophobicContact CD2-CG2 3.93Å; A127-V129 PolarHBondContact O-N 2.92Å; A127-V129 VanDerWaalsContact O-N 3.08Å; V129-P139 WeakPolarHBondContact O-CD 3.4Å; V129-P139 WeakPolarHBondContact O-CG 3.33Å; V129-L155 HydrophobicContact CG2-CB 4.26Å; V129-L155 HydrophobicContact CG2-CD2 3.64Å; V129-A160 HydrophobicContact CG2-CB 3.82Å
130N97.3Very high96.1Very high48 Ų4841.1 Ų41.126%0.25723%0.231SC..THydrogen-bonded Turntrans-106.523.1-178.2-68.8-58.6000112N128 G159 A160 K161N128-N130 PolarHBondContact O-N 3.18Å; N128-N130 PolarHBondContact OD1-N 3.48Å; N130-G159 PolarHBondContact ND2-O 2.97Å; N130-A160 WeakPolarHBondContact OD1-CA 3.48Å; N130-K161 PolarHBondContact OD1-N 2.96Å
131A96.3Very high96Very high10 Ų1037.6 Ų37.68%0.08322%0.218CC..  trans-57.8143.9171.200000110T105 H108 N128 P139T105-A131 HydrophobicContact CG2-CB 3.86Å; H108-A131 PolarHBondContact NE2-O 3.15Å; N128-A131 HydrophobicContact CB-CB 4.27Å; N128-A131 WeakPolarHBondContact O-CB 3.48Å; N128-A131 PolarHBondContact O-N 3.31Å; N128-A131 PolarHBondContact OD1-N 3.49Å; A131-P139 VanDerWaalsContact O-CD 3.29Å; A131-P139 WeakPolarHBondContact O-CD 3.44Å
132I94.9Very high96Very high90 Ų9037.9 Ų37.946%0.46222%0.219SC..  trans-121.6138177.855.4173.3000109.7V137 T138I132-V137 WeakPolarHBondContact CA-O 3.27Å; I132-T138 HydrophobicContact CG2-CG2 3.79Å
133T92.9Very high96Very high14 Ų1437.9 Ų37.99%0.08622%0.219CC..  trans-75.7175.3168.472.40000110.7D102 V104 D135 G136 V137D102-T133 WeakPolarHBondContact O-CA 3.42Å; D102-T133 WeakPolarHBondContact O-CB 3.46Å; V104-T133 HydrophobicContact CG2-CG2 3.95Å; T133-D135 PolarHBondContact O-N 3.23Å; T133-D135 PolarHBondContact OG1-N 3.2Å; T133-G136 PolarHBondContact O-N 2.89Å; T133-V137 HydrophobicContact CG2-CB 4.04Å; T133-V137 PolarHBondContact N-O 3.34Å; T133-V137 WeakPolarHBondContact OG1-CB 3.47Å; T133-V137 PolarHBondContact OG1-N 3.42Å; T133-V137 VanDerWaalsContact OG1-N 3.15Å
134I88.6Confident95.9Very high107 Ų10737.4 Ų37.455%0.54922%0.217SC..THydrogen-bonded Turntrans-57.3-35.7171.6-66.2-175.4000111.7L101 D102 H103 G136L101-I134 VanDerWaalsContact O-CD1 3.3Å; L101-I134 WeakPolarHBondContact O-CD1 3.42Å; D102-I134 PolarHBondContact O-N 3.04Å; H103-I134 HydrophobicContact CB-CG1 4.45Å; I134-G136 PolarHBondContact O-N 3.11Å
135D86.8Confident95.8Very high123 Ų12332.5 Ų32.566%0.65820%0.195SC*.THydrogen-bonded Turntrans-79.75.5178.2-56.6-46.3000113T133 V137 P169T133-D135 PolarHBondContact O-N 3.23Å; T133-D135 PolarHBondContact OG1-N 3.2Å; D135-V137 HydrophobicContact CB-CG2 4.24Å; D135-V137 PolarHBondContact O-N 3.13Å; D135-P169 WeakPolarHBondContact O-CG 3.5Å
136G90.6Very high95.8Very high5 Ų534.8 Ų34.85%0.05220%0.198CC..  trans75.310-179.100000114.4T133 I134T133-G136 PolarHBondContact O-N 2.89Å; I134-G136 PolarHBondContact O-N 3.11Å
137V94.1Very high95.8Very high22 Ų2233.5 Ų33.513%0.13318%0.184CC..  trans-71.2136.8179.4172.50000109.8H108 I132 T133 D135 F141 N142 P169H108-V137 PolarHBondContact NE2-O 3.21Å; H108-V137 VanDerWaalsContact NE2-O 3.13Å; I132-V137 WeakPolarHBondContact CA-O 3.27Å; T133-V137 HydrophobicContact CG2-CB 4.04Å; T133-V137 PolarHBondContact N-O 3.34Å; T133-V137 WeakPolarHBondContact OG1-CB 3.47Å; T133-V137 PolarHBondContact OG1-N 3.42Å; T133-V137 VanDerWaalsContact OG1-N 3.15Å; D135-V137 HydrophobicContact CB-CG2 4.24Å; D135-V137 PolarHBondContact O-N 3.13Å; V137-F141 HydrophobicContact CB-CD1 4.42Å; V137-F141 HydrophobicContact CG1-CB 4.28Å; V137-F141 HydrophobicContact CG1-CD1 3.64Å; V137-F141 HydrophobicContact CG1-CE1 4.42Å; V137-F141 HydrophobicContact CG1-CG 4.28Å; V137-F141 HydrophobicContact CG2-CD1 4.2Å; V137-F141 HydrophobicContact CG2-CE1 4.31Å; V137-N142 WeakPolarHBondContact CG1-OD1 3.28Å; V137-P169 HydrophobicContact CG2-CG 4.24Å
138T97.2Very high95.8Very high4 Ų433 Ų333%0.02518%0.18CC..  trans-107.8163.817456.40000111.5I132 L140 F141 N142 L164I132-T138 HydrophobicContact CG2-CG2 3.79Å; T138-L140 PolarHBondContact O-N 3.31Å; T138-F141 WeakPolarHBondContact O-CB 3.47Å; T138-F141 PolarHBondContact O-N 2.79Å; T138-F141 VanDerWaalsContact O-N 3.15Å; T138-F141 WeakPolarHBondContact OG1-CB 3.45Å; T138-F141 PolarHBondContact OG1-N 3.21Å; T138-F141 VanDerWaalsContact OG1-N 3.14Å; T138-N142 PolarHBondContact O-N 3.4Å; T138-L164 HydrophobicContact CG2-CD1 3.62Å
139P98Very high95.7Very high0 Ų030.5 Ų30.50%017%0.169CC..Hα-helixtrans-57-35.8170.7-26.736.2000113L107 H108 C111 V129 A131 N142 A143 L155L107-P139 HydrophobicContact CD2-CB 4.11Å; L107-P139 HydrophobicContact CD2-CG 3.87Å; L107-P139 HydrophobicContact CG-CB 3.97Å; L107-P139 HydrophobicContact CG-CG 4Å; H108-P139 WeakPolarHBondContact NE2-CD 3.19Å; C111-P139 WeakPolarHBondContact CB-O 3.37Å; V129-P139 WeakPolarHBondContact O-CD 3.4Å; V129-P139 WeakPolarHBondContact O-CG 3.33Å; A131-P139 VanDerWaalsContact O-CD 3.29Å; A131-P139 WeakPolarHBondContact O-CD 3.44Å; P139-N142 PolarHBondContact O-N 3.13Å; P139-A143 PolarHBondContact O-N 3.15Å; P139-L155 HydrophobicContact CB-CD1 4.1Å; P139-L155 HydrophobicContact CB-CD2 3.92Å; P139-L155 WeakPolarHBondContact O-CD1 3.27Å
140L98.3Very high95.8Very high1 Ų133 Ų331%0.00519%0.187CC..Hα-helixtrans-67.5-40177.5-178.162.5000111.8T138 N142 A143 C144 A152 L155 L156 A160 A162 P171 L187T138-L140 PolarHBondContact O-N 3.31Å; L140-N142 VanDerWaalsContact C-N 3.35Å; L140-A143 PolarHBondContact O-N 2.68Å; L140-C144 WeakPolarHBondContact O-CB 3.37Å; L140-C144 PolarHBondContact O-N 3.1Å; L140-C144 PolarHBondContact O-SG 3.49Å; L140-A152 HydrophobicContact CD1-CB 4Å; L140-L155 HydrophobicContact CB-CD1 4.15Å; L140-L155 HydrophobicContact CD1-CB 4.27Å; L140-L155 HydrophobicContact CD1-CD1 4.25Å; L140-L156 HydrophobicContact CD1-CG 4.3Å; L140-L156 HydrophobicContact CD2-CD2 3.87Å; L140-L156 HydrophobicContact CD2-CG 4.48Å; L140-A160 HydrophobicContact CB-CB 4.25Å; L140-A160 HydrophobicContact CD2-CB 4.08Å; L140-A162 HydrophobicContact CD2-CB 4.4Å; L140-P171 HydrophobicContact CB-CG 4.47Å; L140-P171 HydrophobicContact CD2-CB 4.47Å; L140-P171 HydrophobicContact CD2-CG 4.2Å; L140-P171 HydrophobicContact CG-CB 4.13Å; L140-P171 HydrophobicContact CG-CG 4.07Å; L140-L187 HydrophobicContact CD2-CD2 4.27Å
141F97.1Very high95.8Very high26 Ų2630.7 Ų30.711%0.11418%0.175CC..Hα-helixtrans-58.4-47.3170.9179.9-85000111V137 T138 A143 C144 S145 P169 P171 E174V137-F141 HydrophobicContact CB-CD1 4.42Å; V137-F141 HydrophobicContact CG1-CB 4.28Å; V137-F141 HydrophobicContact CG1-CD1 3.64Å; V137-F141 HydrophobicContact CG1-CE1 4.42Å; V137-F141 HydrophobicContact CG1-CG 4.28Å; V137-F141 HydrophobicContact CG2-CD1 4.2Å; V137-F141 HydrophobicContact CG2-CE1 4.31Å; T138-F141 WeakPolarHBondContact O-CB 3.47Å; T138-F141 PolarHBondContact O-N 2.79Å; T138-F141 VanDerWaalsContact O-N 3.15Å; T138-F141 WeakPolarHBondContact OG1-CB 3.45Å; T138-F141 PolarHBondContact OG1-N 3.21Å; T138-F141 VanDerWaalsContact OG1-N 3.14Å; F141-A143 PolarHBondContact O-N 2.67Å; F141-C144 PolarHBondContact O-N 3.25Å; F141-S145 VanDerWaalsContact O-CB 3.3Å; F141-S145 WeakPolarHBondContact O-CB 3.35Å; F141-S145 PolarHBondContact O-N 3.12Å; F141-P169 HydrophobicContact CD2-CB 3.5Å; F141-P169 HydrophobicContact CE2-CB 3.35Å; F141-P169 HydrophobicContact CG-CB 4.17Å; F141-P169 HydrophobicContact CZ-CB 3.92Å; F141-P171 HydrophobicContact CB-CG 4.22Å; F141-E174 HydrophobicContact CD2-CB 4.16Å; F141-E174 HydrophobicContact CD2-CG 4.47Å; F141-E174 HydrophobicContact CE1-CG 4.34Å; F141-E174 HydrophobicContact CE2-CB 3.57Å; F141-E174 HydrophobicContact CE2-CG 3.8Å; F141-E174 HydrophobicContact CZ-CB 4.02Å; F141-E174 HydrophobicContact CZ-CG 3.73Å
142N97.7Very high95.9Very high18 Ų1830.2 Ų30.210%0.09617%0.171CC..Hα-helixtrans-60-44.5178.1-80.2-1.7000112.7H108 C111 L112 V137 T138 P139 L140 C144 S145 Q146H108-N142 PolarHBondContact O-ND2 3.4Å; C111-N142 HydrophobicContact CB-CB 4.14Å; L112-N142 HydrophobicContact CB-CB 4.14Å; L112-N142 HydrophobicContact CD1-CB 4.41Å; V137-N142 WeakPolarHBondContact CG1-OD1 3.28Å; T138-N142 PolarHBondContact O-N 3.4Å; P139-N142 PolarHBondContact O-N 3.13Å; L140-N142 VanDerWaalsContact C-N 3.35Å; N142-C144 VanDerWaalsContact C-N 3.35Å; N142-C144 PolarHBondContact O-N 2.97Å; N142-S145 PolarHBondContact O-N 2.96Å; N142-Q146 WeakPolarHBondContact O-CB 3.36Å; N142-Q146 PolarHBondContact O-N 3.28Å
143A98.2Very high96.1Very high0 Ų030.3 Ų30.30%017%0.169CC..Hα-helixtrans-59.9-4517600000111.7C111 P139 L140 F141 Q146 G147 S148 C151 A152 L155C111-A143 HydrophobicContact CB-CB 4.22Å; P139-A143 PolarHBondContact O-N 3.15Å; L140-A143 PolarHBondContact O-N 2.68Å; F141-A143 PolarHBondContact O-N 2.67Å; A143-Q146 PolarHBondContact O-N 3.41Å; A143-G147 PolarHBondContact O-N 3.38Å; A143-S148 PolarHBondContact O-N 2.99Å; A143-C151 HydrophobicContact CB-CB 3.69Å; A143-A152 HydrophobicContact CB-CB 4.39Å; A143-L155 HydrophobicContact CB-CD1 3.95Å
144C97.8Very high96.3Very high0 Ų029.7 Ų29.70%017%0.165CC..Hα-helixtrans-67.6-36.5177.4-70.20000112.5L140 F141 N142 G147 P171 A175 H180L140-C144 WeakPolarHBondContact O-CB 3.37Å; L140-C144 PolarHBondContact O-N 3.1Å; L140-C144 PolarHBondContact O-SG 3.49Å; F141-C144 PolarHBondContact O-N 3.25Å; N142-C144 VanDerWaalsContact C-N 3.35Å; N142-C144 PolarHBondContact O-N 2.97Å; C144-G147 PolarHBondContact O-N 3.25Å; C144-P171 HydrophobicContact CB-CB 4.07Å; C144-A175 HydrophobicContact CB-CB 4.21Å; C144-H180 PolarHBondContact O-CD2 3.4Å
145S96.5Very high96.8Very high14 Ų1424.6 Ų24.610%0.09814%0.139CC..Hα-helixtrans-67.8-37.8177.2-165.70000112.3F141 N142 G147 E174 K178 H180F141-S145 VanDerWaalsContact O-CB 3.3Å; F141-S145 WeakPolarHBondContact O-CB 3.35Å; F141-S145 PolarHBondContact O-N 3.12Å; N142-S145 PolarHBondContact O-N 2.96Å; S145-G147 VanDerWaalsContact C-N 3.35Å; S145-E174 WeakPolarHBondContact CB-OE1 3.37Å; S145-E174 PolarHBondContact OG-OE1 3.38Å; S145-K178 WeakPolarHBondContact O-CD 3.31Å; S145-K178 PolarHBondContact O-NZ 3.01Å; S145-K178 VanDerWaalsContact O-NZ 3.11Å; S145-K178 PolarHBondContact OG-NZ 3.28Å; S145-H180 PolarHBondContact O-NE2 2.85Å; S145-H180 VanDerWaalsContact O-NE2 3.16Å
146Q97.3Very high97.4Very high95 Ų9519 Ų1944%0.44411%0.109SC..Hα-helixtrans-75.2-26175.1-17755.527.600112.4L112 D114 N142 A143L112-Q146 VanDerWaalsContact O-CD 3.31Å; L112-Q146 VanDerWaalsContact O-CG 3.24Å; L112-Q146 WeakPolarHBondContact O-CG 3.41Å; L112-Q146 PolarHBondContact O-OE1 3.46Å; D114-Q146 HydrophobicContact CB-CG 4.13Å; N142-Q146 WeakPolarHBondContact O-CB 3.36Å; N142-Q146 PolarHBondContact O-N 3.28Å; A143-Q146 PolarHBondContact O-N 3.41Å
147G97.1Very high97.7Very high20 Ų2024 Ų2421%0.20613%0.131CC..THydrogen-bonded Turntrans83.433.8-174.700000113A143 C144 S145 P149 H180A143-G147 PolarHBondContact O-N 3.38Å; C144-G147 PolarHBondContact O-N 3.25Å; S145-G147 VanDerWaalsContact C-N 3.35Å; G147-P149 WeakPolarHBondContact O-CD 3.45Å; G147-H180 VanDerWaalsContact CA-CG 3.44Å; G147-H180 PolarHBondContact N-NE2 3.25Å
148S97.9Very high97.9Very high0 Ų027.6 Ų27.60%014%0.143CC..  trans-93.694.3176.4177.60000111.2D114 A143 S150 C151 A152 C183D114-S148 WeakPolarHBondContact OD1-CB 3.45Å; D114-S148 PolarHBondContact OD1-OG 3.16Å; A143-S148 PolarHBondContact O-N 2.99Å; S148-S150 VanDerWaalsContact C-N 3.27Å; S148-S150 PolarHBondContact O-N 3.22Å; S148-C151 PolarHBondContact O-N 3.18Å; S148-C151 WeakPolarHBondContact OG-CB 3.34Å; S148-C151 PolarHBondContact OG-N 2.9Å; S148-C151 PolarHBondContact OG-SG 3.19Å; S148-A152 WeakPolarHBondContact O-CB 3.28Å; S148-A152 PolarHBondContact O-N 3.08Å; S148-C183 VanDerWaalsContact C-SG 3.5Å
149P98Very high97.9Very high30 Ų3029.5 Ų29.520%0.19516%0.164CC..Hα-helixtrans-61.9-38.4176.424.4-34000111.2G147 C151 A152 E153 E182 I186G147-P149 WeakPolarHBondContact O-CD 3.45Å; P149-C151 PolarHBondContact O-N 2.97Å; P149-A152 PolarHBondContact O-N 3.13Å; P149-E153 WeakPolarHBondContact O-CB 3.41Å; P149-E153 PolarHBondContact O-N 3.29Å; P149-E182 HydrophobicContact CB-CB 4Å; P149-E182 HydrophobicContact CG-CB 4.15Å; P149-I186 HydrophobicContact CB-CD1 3.37Å; P149-I186 WeakPolarHBondContact O-CD1 3.04Å
150S98.4Very high97.8Very high66 Ų6630 Ų3046%0.46217%0.168SC..Hα-helixtrans-65.4-39.1179.7-64.10000113.2S148 L154S148-S150 VanDerWaalsContact C-N 3.27Å; S148-S150 PolarHBondContact O-N 3.22Å; S150-L154 VanDerWaalsContact O-CB 3.26Å; S150-L154 WeakPolarHBondContact O-CB 3.4Å; S150-L154 PolarHBondContact O-N 2.96Å
151C98.3Very high97.7Very high0 Ų036.2 Ų36.20%020%0.195CC..Hα-helixtrans-70.1-40.3172.1-730000111.2V116 A143 S148 P149 L154 L155V116-C151 VanDerWaalsContact CG2-SG 3.6Å; A143-C151 HydrophobicContact CB-CB 3.69Å; S148-C151 PolarHBondContact O-N 3.18Å; S148-C151 WeakPolarHBondContact OG-CB 3.34Å; S148-C151 PolarHBondContact OG-N 2.9Å; S148-C151 PolarHBondContact OG-SG 3.19Å; P149-C151 PolarHBondContact O-N 2.97Å; C151-L154 PolarHBondContact O-N 3.1Å; C151-L155 WeakPolarHBondContact O-CB 3.42Å; C151-L155 WeakPolarHBondContact O-CD1 3.47Å; C151-L155 WeakPolarHBondContact O-CG 3.49Å; C151-L155 PolarHBondContact O-N 3.15Å
152A98.3Very high97.3Very high0 Ų035.8 Ų35.80%020%0.196CC..Hα-helixtrans-60.6-48.1179.400000111.8L140 A143 S148 P149 L155 L156L140-A152 HydrophobicContact CD1-CB 4Å; A143-A152 HydrophobicContact CB-CB 4.39Å; S148-A152 WeakPolarHBondContact O-CB 3.28Å; S148-A152 PolarHBondContact O-N 3.08Å; P149-A152 PolarHBondContact O-N 3.13Å; A152-L155 PolarHBondContact O-N 3.25Å; A152-L156 WeakPolarHBondContact O-CD1 3.48Å; A152-L156 VanDerWaalsContact O-CG 3.27Å; A152-L156 WeakPolarHBondContact O-CG 3.22Å; A152-L156 PolarHBondContact O-N 2.94Å; A152-L156 VanDerWaalsContact O-N 3.08Å
153E98.5Very high96.6Very high91 Ų9138.4 Ų38.443%0.42521%0.208SC..Hα-helixtrans-59.7-50.1176.3-175169.5-135.400111.4P149 L155 L156 E157 I186P149-E153 WeakPolarHBondContact O-CB 3.41Å; P149-E153 PolarHBondContact O-N 3.29Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 2.93Å; E153-L156 PolarHBondContact O-N 2.95Å; E153-L156 VanDerWaalsContact O-N 3.13Å; E153-E157 WeakPolarHBondContact O-CG 3.31Å; E153-E157 PolarHBondContact O-N 3.31Å; E153-I186 HydrophobicContact CB-CD1 4.14Å; E153-I186 HydrophobicContact CB-CG2 4.14Å
154L98.5Very high95.8Very high2 Ų239.9 Ų39.91%0.0122%0.215CC..Hα-helixtrans-56.6-43.1177.6176.364.3000112.6V116 A119 R120 L123 S150 C151 L156 E157 Y158V116-L154 HydrophobicContact CG1-CD2 4.23Å; A119-L154 HydrophobicContact CB-CD2 4.19Å; R120-L154 HydrophobicContact CB-CD2 3.8Å; R120-L154 HydrophobicContact CG-CD1 4.48Å; L123-L154 HydrophobicContact CD1-CD1 4.34Å; L123-L154 HydrophobicContact CD1-CD2 4.04Å; L123-L154 HydrophobicContact CD1-CG 3.8Å; S150-L154 VanDerWaalsContact O-CB 3.26Å; S150-L154 WeakPolarHBondContact O-CB 3.4Å; S150-L154 PolarHBondContact O-N 2.96Å; C151-L154 PolarHBondContact O-N 3.1Å; L154-L156 VanDerWaalsContact C-N 3.35Å; L154-E157 PolarHBondContact O-N 3.25Å; L154-Y158 HydrophobicContact CD1-CD2 3.83Å; L154-Y158 HydrophobicContact CD1-CE2 3.63Å; L154-Y158 HydrophobicContact CG-CD2 4.49Å; L154-Y158 VanDerWaalsContact O-CD2 3.31Å; L154-Y158 WeakPolarHBondContact O-CD2 3.1Å; L154-Y158 PolarHBondContact O-N 3.34Å
155L98.6Very high94.8Very high0 Ų047.3 Ų47.30%025%0.25CC..Hα-helixtrans-65.3-40.5179.1-71.9168000111.3L107 L123 V129 P139 L140 A143 C151 A152 E153 Y158 G159 A160L107-L155 HydrophobicContact CD1-CD2 4.36Å; L107-L155 HydrophobicContact CD2-CD2 4.19Å; L107-L155 HydrophobicContact CG-CD2 4.46Å; L123-L155 HydrophobicContact CD1-CD2 4.26Å; V129-L155 HydrophobicContact CG2-CB 4.26Å; V129-L155 HydrophobicContact CG2-CD2 3.64Å; P139-L155 HydrophobicContact CB-CD1 4.1Å; P139-L155 HydrophobicContact CB-CD2 3.92Å; P139-L155 WeakPolarHBondContact O-CD1 3.27Å; L140-L155 HydrophobicContact CB-CD1 4.15Å; L140-L155 HydrophobicContact CD1-CB 4.27Å; L140-L155 HydrophobicContact CD1-CD1 4.25Å; A143-L155 HydrophobicContact CB-CD1 3.95Å; C151-L155 WeakPolarHBondContact O-CB 3.42Å; C151-L155 WeakPolarHBondContact O-CD1 3.47Å; C151-L155 WeakPolarHBondContact O-CG 3.49Å; C151-L155 PolarHBondContact O-N 3.15Å; A152-L155 PolarHBondContact O-N 3.25Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 2.93Å; L155-Y158 CarbonylContact O-C 3.53Å; L155-Y158 PolarHBondContact O-N 2.92Å; L155-G159 PolarHBondContact O-N 3Å; L155-A160 VanDerWaalsContact C-CB 3.49Å; L155-A160 HydrophobicContact CB-CB 3.89Å; L155-A160 WeakPolarHBondContact O-CB 3.16Å; L155-A160 PolarHBondContact O-N 3.23Å
156L98.2Very high93.6Very high6 Ų649.4 Ų49.43%0.03127%0.265CS..Hα-helixtrans-65.9-40.5177.1-66.6164.2000111.6L140 A152 E153 L154 Y158 G159 A160 A162 I186 L187 W190L140-L156 HydrophobicContact CD1-CG 4.3Å; L140-L156 HydrophobicContact CD2-CD2 3.87Å; L140-L156 HydrophobicContact CD2-CG 4.48Å; A152-L156 WeakPolarHBondContact O-CD1 3.48Å; A152-L156 VanDerWaalsContact O-CG 3.27Å; A152-L156 WeakPolarHBondContact O-CG 3.22Å; A152-L156 PolarHBondContact O-N 2.94Å; A152-L156 VanDerWaalsContact O-N 3.08Å; E153-L156 PolarHBondContact O-N 2.95Å; E153-L156 VanDerWaalsContact O-N 3.13Å; L154-L156 VanDerWaalsContact C-N 3.35Å; L156-Y158 PolarHBondContact O-N 3.07Å; L156-G159 PolarHBondContact O-N 3.22Å; L156-A160 HydrophobicContact CD2-CB 4.46Å; L156-A162 HydrophobicContact CD2-CB 3.81Å; L156-I186 HydrophobicContact CD1-CG2 3.64Å; L156-L187 HydrophobicContact CD1-CD2 4.2Å; L156-W190 HydrophobicContact CB-CD2 3.78Å; L156-W190 HydrophobicContact CB-CE3 4.25Å; L156-W190 HydrophobicContact CB-CG 4.19Å; L156-W190 HydrophobicContact CB-CH2 4.26Å; L156-W190 HydrophobicContact CB-CZ2 3.79Å; L156-W190 HydrophobicContact CB-CZ3 4.47Å; L156-W190 HydrophobicContact CD1-CB 4.31Å; L156-W190 VanDerWaalsContact CD1-CD1 3.5Å; L156-W190 HydrophobicContact CD1-CD2 4.28Å; L156-W190 HydrophobicContact CD1-CG 3.78Å; L156-W190 HydrophobicContact CG-CD2 4.45Å; L156-W190 HydrophobicContact CG-CG 4.39Å; L156-W190 WeakPolarHBondContact O-CH2 3.39Å
157E98.2Very high92.5Very high110 Ų11050.2 Ų50.251%0.51428%0.279SS..Hα-helixtrans-56.2-36.4172.1-71.5177.4166.300112.3E153 L154 G159 W190E153-E157 WeakPolarHBondContact O-CG 3.31Å; E153-E157 PolarHBondContact O-N 3.31Å; L154-E157 PolarHBondContact O-N 3.25Å; E157-G159 VanDerWaalsContact C-N 3.3Å; E157-G159 PolarHBondContact O-N 3.3Å; E157-W190 HydrophobicContact CG-CZ2 4.16Å
158Y98.3Very high91.9Very high97 Ų9751.6 Ų51.638%0.3828%0.282SS..THydrogen-bonded Turntrans-87.18.5177.3-83-102.1000113.9L123 E124 L154 L155 L156L123-Y158 HydrophobicContact CB-CD1 3.71Å; L123-Y158 HydrophobicContact CB-CD2 4.47Å; L123-Y158 HydrophobicContact CB-CE1 3.68Å; L123-Y158 HydrophobicContact CB-CE2 4.45Å; L123-Y158 HydrophobicContact CB-CG 4.11Å; L123-Y158 HydrophobicContact CD1-CD1 4.41Å; L123-Y158 HydrophobicContact CD1-CD2 3.96Å; L123-Y158 HydrophobicContact CD1-CE2 4.42Å; L123-Y158 HydrophobicContact CD1-CG 3.93Å; L123-Y158 HydrophobicContact CD2-CD1 4.22Å; L123-Y158 HydrophobicContact CD2-CG 4.22Å; L123-Y158 HydrophobicContact CG-CD1 4.33Å; L123-Y158 HydrophobicContact CG-CG 4.32Å; E124-Y158 WeakPolarHBondContact CG-OH 3.49Å; L154-Y158 HydrophobicContact CD1-CD2 3.83Å; L154-Y158 HydrophobicContact CD1-CE2 3.63Å; L154-Y158 HydrophobicContact CG-CD2 4.49Å; L154-Y158 VanDerWaalsContact O-CD2 3.31Å; L154-Y158 WeakPolarHBondContact O-CD2 3.1Å; L154-Y158 PolarHBondContact O-N 3.34Å; L155-Y158 CarbonylContact O-C 3.53Å; L155-Y158 PolarHBondContact O-N 2.92Å; L156-Y158 PolarHBondContact O-N 3.07Å
159G96.8Very high91.4Very high44 Ų4453.3 Ų53.345%0.45429%0.293SS..THydrogen-bonded Turntrans87.727.8173.700000115N130 L155 L156 E157N130-G159 PolarHBondContact ND2-O 2.97Å; L155-G159 PolarHBondContact O-N 3Å; L156-G159 PolarHBondContact O-N 3.22Å; E157-G159 VanDerWaalsContact C-N 3.3Å; E157-G159 PolarHBondContact O-N 3.3Å
160A97.2Very high91.2Very high11 Ų1152.1 Ų52.19%0.09129%0.285CS..  trans-60136.8167.700000111.1V129 N130 L140 L155 L156 A162V129-A160 HydrophobicContact CG2-CB 3.82Å; N130-A160 WeakPolarHBondContact OD1-CA 3.48Å; L140-A160 HydrophobicContact CB-CB 4.25Å; L140-A160 HydrophobicContact CD2-CB 4.08Å; L155-A160 VanDerWaalsContact C-CB 3.49Å; L155-A160 HydrophobicContact CB-CB 3.89Å; L155-A160 WeakPolarHBondContact O-CB 3.16Å; L155-A160 PolarHBondContact O-N 3.23Å; L156-A160 HydrophobicContact CD2-CB 4.46Å; A160-A162 PolarHBondContact O-N 3.45Å
161K94.5Very high91.1Very high130 Ų13049 Ų4957%0.56526%0.263SS*.  trans-77.8109.1173.9-65.6178.8-177.4179.40109.6N130 Q163 L164N130-K161 PolarHBondContact OD1-N 2.96Å; K161-Q163 VanDerWaalsContact C-N 3.27Å; K161-Q163 PolarHBondContact O-N 3.38Å; K161-L164 HydrophobicContact CB-CD2 3.97Å; K161-L164 HydrophobicContact CD-CD2 4.43Å
162A88.3Confident91Very high17 Ų1749 Ų4914%0.1426%0.263CS..SBendtrans-66.7-27.7178.300000113.6L140 L156 A160 L187 I192L140-A162 HydrophobicContact CD2-CB 4.4Å; L156-A162 HydrophobicContact CD2-CB 3.81Å; A160-A162 PolarHBondContact O-N 3.45Å; A162-L187 HydrophobicContact CB-CD2 4.17Å; A162-I192 HydrophobicContact CB-CG2 3.53Å
163Q84.6Confident90.9Very high74 Ų7449.2 Ų49.235%0.34627%0.265SS..SBendtrans-123.5126.5177.3-62.7-170.7-57.300110.1K161 I192 D193K161-Q163 VanDerWaalsContact C-N 3.27Å; K161-Q163 PolarHBondContact O-N 3.38Å; Q163-I192 HydrophobicContact CG-CB 4.22Å; Q163-I192 HydrophobicContact CG-CG2 4.07Å; Q163-D193 PolarHBondContact NE2-O 3.41Å
164L80.6Confident90.8Very high31 Ų3146.9 Ų46.916%0.16225%0.254CS..  trans-110.8169.8177.4-61.5172.1000109.6T138 K161 L168 Q196T138-L164 HydrophobicContact CG2-CD1 3.62Å; K161-L164 HydrophobicContact CB-CD2 3.97Å; K161-L164 HydrophobicContact CD-CD2 4.43Å; L164-L168 HydrophobicContact CB-CB 4.04Å; L164-L168 HydrophobicContact CB-CD1 4.02Å; L164-L168 HydrophobicContact CD1-CB 4.31Å; L164-L168 HydrophobicContact CD1-CD1 4.36Å; L164-Q196 PolarHBondContact O-NE2 2.76Å
165E77.2Confident90.7Very high155 Ų15546.8 Ų46.872%0.72425%0.253SS*.  trans-58.1150.5175-64.5175.7-17700111.4C167 L168E165-C167 PolarHBondContact O-N 2.84Å; E165-L168 PolarHBondContact O-N 3.43Å
166S71.7Confident90.7Very high58 Ų5846.8 Ų46.841%0.40625%0.253SS..THydrogen-bonded Turntrans-61.4-10.3-171.255.50000115.8
167C74.4Confident90.6Very high112 Ų11248.3 Ų48.376%0.75727%0.265SS*.THydrogen-bonded Turntrans-92.8-9.1177.3-61.10000113.1E165E165-C167 PolarHBondContact O-N 2.84Å
168L83.8Confident90.5Very high49 Ų4947.8 Ų47.826%0.25726%0.26SS..SBendtrans-100152.5-178.5-64174.6000111.2L164 E165 S170L164-L168 HydrophobicContact CB-CB 4.04Å; L164-L168 HydrophobicContact CB-CD1 4.02Å; L164-L168 HydrophobicContact CD1-CB 4.31Å; L164-L168 HydrophobicContact CD1-CD1 4.36Å; E165-L168 PolarHBondContact O-N 3.43Å; L168-S170 PolarHBondContact O-N 3.15Å
169P87.9Confident90.5Very high36 Ų3644 Ų4423%0.23425%0.251CS..PPolyproline II helixtrans-55.3124.8172.5-23.533000111.6D135 V137 F141D135-P169 WeakPolarHBondContact O-CG 3.5Å; V137-P169 HydrophobicContact CG2-CG 4.24Å; F141-P169 HydrophobicContact CD2-CB 3.5Å; F141-P169 HydrophobicContact CE2-CB 3.35Å; F141-P169 HydrophobicContact CG-CB 4.17Å; F141-P169 HydrophobicContact CZ-CB 3.92Å
170S93.8Very high90.6Very high5 Ų544.3 Ų44.34%0.03524%0.241CC..PPolyproline II helixtrans-92.7121-178172.80000110.9L168 T172 H173 E174L168-S170 PolarHBondContact O-N 3.15Å; S170-T172 PolarHBondContact O-N 3.12Å; S170-H173 WeakPolarHBondContact CB-ND1 3.07Å; S170-H173 PolarHBondContact O-N 2.91Å; S170-H173 PolarHBondContact OG-ND1 3.08Å; S170-E174 PolarHBondContact O-N 2.63Å; S170-E174 VanDerWaalsContact O-N 3.13Å
171P95.1Very high90.5Very high0 Ų046.6 Ų46.60%025%0.249CC..Hα-helixtrans-57.4-37.7177.4-23.832.6000113L140 F141 C144 E174 A175L140-P171 HydrophobicContact CB-CG 4.47Å; L140-P171 HydrophobicContact CD2-CB 4.47Å; L140-P171 HydrophobicContact CD2-CG 4.2Å; L140-P171 HydrophobicContact CG-CB 4.13Å; L140-P171 HydrophobicContact CG-CG 4.07Å; F141-P171 HydrophobicContact CB-CG 4.22Å; C144-P171 HydrophobicContact CB-CB 4.07Å; P171-E174 PolarHBondContact O-N 3.36Å; P171-A175 WeakPolarHBondContact O-CB 3.37Å; P171-A175 PolarHBondContact O-N 2.48Å
172T96.1Very high90.7Very high0 Ų045.6 Ų45.60%025%0.247CC..Hα-helixtrans-63.4-45.2178.7-48.70000112.3S170 A176 L184 I192 P204S170-T172 PolarHBondContact O-N 3.12Å; T172-A176 VanDerWaalsContact O-CB 3.23Å; T172-A176 WeakPolarHBondContact O-CB 3.3Å; T172-A176 PolarHBondContact O-N 3.39Å; T172-L184 HydrophobicContact CG2-CD1 3.61Å; T172-I192 HydrophobicContact CG2-CD1 3.41Å; T172-I192 VanDerWaalsContact CG2-CD1 3.41Å; T172-I192 WeakPolarHBondContact OG1-CD1 3.43Å; T172-P204 HydrophobicContact CG2-CB 3.99Å; T172-P204 HydrophobicContact CG2-CG 3.73Å
173H96.3Very high91.2Very high5 Ų544.9 Ų44.92%0.02324%0.24CC..Hα-helixtrans-68.1-38.6180-71.576000111.4S170 A176 S177 Q196 I198 L201 G202 P204S170-H173 WeakPolarHBondContact CB-ND1 3.07Å; S170-H173 PolarHBondContact O-N 2.91Å; S170-H173 PolarHBondContact OG-ND1 3.08Å; H173-A176 PolarHBondContact O-N 2.9Å; H173-S177 WeakPolarHBondContact O-CB 3.32Å; H173-S177 PolarHBondContact O-N 3.41Å; H173-Q196 PolarHBondContact CE1-O 3.13Å; H173-Q196 VanDerWaalsContact CE1-O 3.25Å; H173-Q196 PolarHBondContact NE2-O 3.25Å; H173-I198 WeakPolarHBondContact CE1-CD1 3.48Å; H173-I198 WeakPolarHBondContact ND1-CD1 3.43Å; H173-L201 HydrophobicContact CB-CD1 4.19Å; H173-G202 PolarHBondContact NE2-O 2.89Å; H173-P204 WeakPolarHBondContact NE2-CD 3.43Å
174E96.3Very high91.8Very high42 Ų4241.3 Ų41.320%0.19622%0.224CC..Hα-helixtrans-64-48.5176.8-17767.4-169.100111.5F141 S145 S170 P171 A176 S177 K178F141-E174 HydrophobicContact CD2-CB 4.16Å; F141-E174 HydrophobicContact CD2-CG 4.47Å; F141-E174 HydrophobicContact CE1-CG 4.34Å; F141-E174 HydrophobicContact CE2-CB 3.57Å; F141-E174 HydrophobicContact CE2-CG 3.8Å; F141-E174 HydrophobicContact CZ-CB 4.02Å; F141-E174 HydrophobicContact CZ-CG 3.73Å; S145-E174 WeakPolarHBondContact CB-OE1 3.37Å; S145-E174 PolarHBondContact OG-OE1 3.38Å; S170-E174 PolarHBondContact O-N 2.63Å; S170-E174 VanDerWaalsContact O-N 3.13Å; P171-E174 PolarHBondContact O-N 3.36Å; E174-A176 VanDerWaalsContact C-N 3.3Å; E174-A176 PolarHBondContact O-N 3.03Å; E174-S177 PolarHBondContact O-N 3.49Å; E174-K178 PolarHBondContact O-N 3.06Å; E174-K178 WeakPolarHBondContact OE1-CD 3.15Å; E174-K178 WeakPolarHBondContact OE1-CE 3.36Å; E174-K178 IonicContact OE1-NZ 3.29Å; E174-K178 PolarHBondContact OE1-NZ 3.33Å; E174-K178 VanDerWaalsContact OE1-NZ 3.14Å
175A97.3Very high92.5Very high0 Ų042.5 Ų42.50%023%0.23CC..Hα-helixtrans-60.1-41.7175.200000111.6C144 P171 G179 H180 C183C144-A175 HydrophobicContact CB-CB 4.21Å; P171-A175 WeakPolarHBondContact O-CB 3.37Å; P171-A175 PolarHBondContact O-N 2.48Å; A175-G179 PolarHBondContact O-N 3.31Å; A175-H180 HydrophobicContact CB-CB 4.27Å; A175-H180 PolarHBondContact O-N 3.07Å; A175-C183 HydrophobicContact CB-CB 4.23Å
176A97.6Very high93.5Very high0 Ų036.1 Ų36.10%020%0.201CC..Hα-helixtrans-64.1-42.3177.200000112.5T172 H173 E174 P204 A208 Q213T172-A176 VanDerWaalsContact O-CB 3.23Å; T172-A176 WeakPolarHBondContact O-CB 3.3Å; T172-A176 PolarHBondContact O-N 3.39Å; H173-A176 PolarHBondContact O-N 2.9Å; E174-A176 VanDerWaalsContact C-N 3.3Å; E174-A176 PolarHBondContact O-N 3.03Å; A176-P204 HydrophobicContact CB-CB 4.2Å; A176-A208 HydrophobicContact CB-CB 4.25Å; A176-Q213 WeakPolarHBondContact O-CG 3Å
177S96.9Very high94.7Very high39 Ų3933.4 Ų33.427%0.27318%0.182SC..Hα-helixtrans-67.2-41.7178.9-171.10000112.5H173 E174 V207 S211 Q213H173-S177 WeakPolarHBondContact O-CB 3.32Å; H173-S177 PolarHBondContact O-N 3.41Å; E174-S177 PolarHBondContact O-N 3.49Å; S177-V207 VanDerWaalsContact CB-CG1 3.46Å; S177-S211 WeakPolarHBondContact O-CB 3.41Å; S177-S211 PolarHBondContact O-OG 2.93Å; S177-S211 PolarHBondContact OG-OG 2.85Å; S177-Q213 WeakPolarHBondContact O-CG 3.41Å; S177-Q213 PolarHBondContact O-NE2 3.07Å
178K96.6Very high95.6Very high98 Ų9830 Ų3043%0.42616%0.155SC..Hα-helixtrans-84.2-8.3-177.5-72.2-172166.9178.50114.7S145 E174 H180S145-K178 WeakPolarHBondContact O-CD 3.31Å; S145-K178 PolarHBondContact O-NZ 3.01Å; S145-K178 VanDerWaalsContact O-NZ 3.11Å; S145-K178 PolarHBondContact OG-NZ 3.28Å; E174-K178 PolarHBondContact O-N 3.06Å; E174-K178 WeakPolarHBondContact OE1-CD 3.15Å; E174-K178 WeakPolarHBondContact OE1-CE 3.36Å; E174-K178 IonicContact OE1-NZ 3.29Å; E174-K178 PolarHBondContact OE1-NZ 3.33Å; E174-K178 VanDerWaalsContact OE1-NZ 3.14Å; K178-H180 VanDerWaalsContact CB-CD2 3.43Å; K178-H180 WeakPolarHBondContact CB-CD2 3.37Å
179G97.3Very high96.1Very high17 Ų1732 Ų3218%0.17517%0.174CC..THydrogen-bonded Turntrans84.715.9178.500000114.6A175 H181 Q213 C216A175-G179 PolarHBondContact O-N 3.31Å; G179-H181 PolarHBondContact O-N 3Å; G179-Q213 VanDerWaalsContact CA-CD 3.43Å; G179-Q213 VanDerWaalsContact CA-OE1 3.31Å; G179-C216 VanDerWaalsContact CA-SG 3.56Å
180H98.1Very high96.5Very high52 Ų5236.1 Ų36.124%0.24119%0.185CC..  trans-80.267.2-176.9-62.6-43.4000111.5C144 S145 G147 A175 K178 E182 C183 L184C144-H180 PolarHBondContact O-CD2 3.4Å; S145-H180 PolarHBondContact O-NE2 2.85Å; S145-H180 VanDerWaalsContact O-NE2 3.16Å; G147-H180 VanDerWaalsContact CA-CG 3.44Å; G147-H180 PolarHBondContact N-NE2 3.25Å; A175-H180 HydrophobicContact CB-CB 4.27Å; A175-H180 PolarHBondContact O-N 3.07Å; K178-H180 VanDerWaalsContact CB-CD2 3.43Å; K178-H180 WeakPolarHBondContact CB-CD2 3.37Å; H180-E182 VanDerWaalsContact C-N 3.26Å; H180-E182 PolarHBondContact O-N 3.13Å; H180-C183 HydrophobicContact CB-CB 4.3Å; H180-C183 WeakPolarHBondContact O-CB 3.45Å; H180-C183 PolarHBondContact O-N 3.03Å; H180-L184 PolarHBondContact O-N 3.45Å; H180-L184 VanDerWaalsContact O-N 3.15Å
181H97.1Very high96.3Very high58 Ų5839 Ų3927%0.26922%0.215SC..Hα-helixtrans-63.2-27.1-171.863.676000113.9G179 L184 D185 H215 K219G179-H181 PolarHBondContact O-N 3Å; H181-L184 WeakPolarHBondContact O-CB 3.49Å; H181-L184 PolarHBondContact O-N 2.97Å; H181-D185 PolarHBondContact O-N 3.37Å; H181-H215 HydrophobicContact CB-CB 4.04Å; H181-K219 HydrophobicContact CB-CG 4.38Å
182E98Very high96.2Very high110 Ų11039.7 Ų39.751%0.51422%0.218SC..Hα-helixtrans-69.9-39.8176.5-59179.4145.500111.8P149 H180 L184 D185 I186P149-E182 HydrophobicContact CB-CB 4Å; P149-E182 HydrophobicContact CG-CB 4.15Å; H180-E182 VanDerWaalsContact C-N 3.26Å; H180-E182 PolarHBondContact O-N 3.13Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 3.33Å; E182-D185 PolarHBondContact O-N 2.89Å; E182-I186 WeakPolarHBondContact O-CG1 3.34Å; E182-I186 PolarHBondContact O-N 3.3Å
183C97.8Very high96.1Very high1 Ų143.2 Ų43.21%0.00724%0.237CC..Hα-helixtrans-63-40.2171.1-68.50000110.5S148 A175 H180 I186 L187S148-C183 VanDerWaalsContact C-SG 3.5Å; A175-C183 HydrophobicContact CB-CB 4.23Å; H180-C183 HydrophobicContact CB-CB 4.3Å; H180-C183 WeakPolarHBondContact O-CB 3.45Å; H180-C183 PolarHBondContact O-N 3.03Å; C183-I186 PolarHBondContact O-N 2.83Å; C183-L187 WeakPolarHBondContact O-CG 3.44Å; C183-L187 PolarHBondContact O-N 3.43Å
184L96.9Very high95.9Very high0 Ų043.2 Ų43.20%024%0.237CC..Hα-helixtrans-65.5-40.8178.7-16760.1000112.4T172 H180 H181 E182 I186 L187 I188 C216 L220T172-L184 HydrophobicContact CG2-CD1 3.61Å; H180-L184 PolarHBondContact O-N 3.45Å; H180-L184 VanDerWaalsContact O-N 3.15Å; H181-L184 WeakPolarHBondContact O-CB 3.49Å; H181-L184 PolarHBondContact O-N 2.97Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 3.33Å; L184-I186 VanDerWaalsContact C-N 3.32Å; L184-I186 PolarHBondContact O-N 3.27Å; L184-L187 PolarHBondContact O-N 3.05Å; L184-I188 HydrophobicContact CG-CD1 3.97Å; L184-I188 WeakPolarHBondContact O-CB 3.36Å; L184-I188 WeakPolarHBondContact O-CD1 3.5Å; L184-I188 WeakPolarHBondContact O-CG1 3.32Å; L184-I188 PolarHBondContact O-N 3.25Å; L184-C216 HydrophobicContact CD2-CB 3.89Å; L184-L220 HydrophobicContact CD1-CD2 4.27Å; L184-L220 HydrophobicContact CD2-CD1 4.05Å; L184-L220 HydrophobicContact CD2-CD2 4.01Å; L184-L220 HydrophobicContact CD2-CG 3.76Å; L184-L220 HydrophobicContact CG-CD2 4.4Å
185D96.3Very high95.8Very high55 Ų5542.1 Ų42.129%0.29423%0.233SC..Hα-helixtrans-56.2-46.7172.9-86-37.7000111.7H181 E182 I188 S189 K219H181-D185 PolarHBondContact O-N 3.37Å; E182-D185 PolarHBondContact O-N 2.89Å; D185-I188 PolarHBondContact O-N 3.45Å; D185-S189 WeakPolarHBondContact O-CB 3.26Å; D185-S189 PolarHBondContact O-N 2.95Å; D185-K219 WeakPolarHBondContact OD1-CD 3.21Å; D185-K219 VanDerWaalsContact OD1-CE 3.24Å; D185-K219 WeakPolarHBondContact OD1-CE 3.15Å; D185-K219 IonicContact OD1-NZ 2.81Å; D185-K219 PolarHBondContact OD1-NZ 3.2Å; D185-K219 WeakPolarHBondContact OD2-CE 3.34Å; D185-K219 IonicContact OD2-NZ 2.67Å; D185-K219 PolarHBondContact OD2-NZ 3.07Å
186I97.6Very high95.6Very high22 Ų2243.4 Ų43.411%0.11324%0.239CC..Hα-helixtrans-61.3-52.2177-68.9162.2000109.7P149 E153 L156 E182 C183 L184 I188 S189 W190P149-I186 HydrophobicContact CB-CD1 3.37Å; P149-I186 WeakPolarHBondContact O-CD1 3.04Å; E153-I186 HydrophobicContact CB-CD1 4.14Å; E153-I186 HydrophobicContact CB-CG2 4.14Å; L156-I186 HydrophobicContact CD1-CG2 3.64Å; E182-I186 WeakPolarHBondContact O-CG1 3.34Å; E182-I186 PolarHBondContact O-N 3.3Å; C183-I186 PolarHBondContact O-N 2.83Å; L184-I186 VanDerWaalsContact C-N 3.32Å; L184-I186 PolarHBondContact O-N 3.27Å; I186-I188 VanDerWaalsContact C-N 3.3Å; I186-I188 PolarHBondContact O-N 3.24Å; I186-S189 WeakPolarHBondContact O-CB 3.14Å; I186-S189 PolarHBondContact O-N 2.92Å; I186-S189 PolarHBondContact O-OG 2.85Å; I186-W190 VanDerWaalsContact O-CD1 3.29Å; I186-W190 PolarHBondContact O-N 2.77Å; I186-W190 VanDerWaalsContact O-N 3.08Å
187L96.7Very high95.3Very high0 Ų047.8 Ų47.80%026%0.262CS..Hα-helixtrans-55.8-45.1179.3-68.7169.5000111.7L140 L156 A162 C183 L184 S189 W190 G191 I192L140-L187 HydrophobicContact CD2-CD2 4.27Å; L156-L187 HydrophobicContact CD1-CD2 4.2Å; A162-L187 HydrophobicContact CB-CD2 4.17Å; C183-L187 WeakPolarHBondContact O-CG 3.44Å; C183-L187 PolarHBondContact O-N 3.43Å; L184-L187 PolarHBondContact O-N 3.05Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 2.89Å; L187-W190 PolarHBondContact O-N 2.8Å; L187-G191 PolarHBondContact O-N 2.94Å; L187-I192 HydrophobicContact CB-CD1 3.86Å; L187-I192 HydrophobicContact CB-CG1 4.33Å; L187-I192 HydrophobicContact CB-CG2 4.3Å; L187-I192 WeakPolarHBondContact O-CG1 3.48Å; L187-I192 WeakPolarHBondContact O-CG2 3.44Å
188I94.8Very high95.1Very high40 Ų4046 Ų4621%0.20525%0.25CC..Hα-helixtrans-60.2-42.4176.5-69165.2000111.1L184 D185 I186 W190 G191 I192 V194 L220 A223L184-I188 HydrophobicContact CG-CD1 3.97Å; L184-I188 WeakPolarHBondContact O-CB 3.36Å; L184-I188 WeakPolarHBondContact O-CD1 3.5Å; L184-I188 WeakPolarHBondContact O-CG1 3.32Å; L184-I188 PolarHBondContact O-N 3.25Å; D185-I188 PolarHBondContact O-N 3.45Å; I186-I188 VanDerWaalsContact C-N 3.3Å; I186-I188 PolarHBondContact O-N 3.24Å; I188-W190 PolarHBondContact O-N 3.46Å; I188-G191 PolarHBondContact O-N 3.31Å; I188-I192 HydrophobicContact CG1-CD1 4.42Å; I188-I192 HydrophobicContact CG1-CG1 4.46Å; I188-V194 HydrophobicContact CD1-CG1 4.43Å; I188-V194 HydrophobicContact CG1-CG1 3.85Å; I188-L220 HydrophobicContact CD1-CD2 4.42Å; I188-A223 HydrophobicContact CD1-CB 3.97Å; I188-A223 HydrophobicContact CG1-CB 4.47Å; I188-A223 HydrophobicContact CG2-CB 3.82Å
189S94.6Very high94.7Very high92 Ų9244.4 Ų44.464%0.64325%0.25SC*.Hα-helixtrans-63.7-28.7178.577.60000113.2D185 I186 L187 G191D185-S189 WeakPolarHBondContact O-CB 3.26Å; D185-S189 PolarHBondContact O-N 2.95Å; I186-S189 WeakPolarHBondContact O-CB 3.14Å; I186-S189 PolarHBondContact O-N 2.92Å; I186-S189 PolarHBondContact O-OG 2.85Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 2.89Å; S189-G191 PolarHBondContact O-N 3.11Å
190W95.2Very high94.2Very high123 Ų12348.7 Ų48.747%0.46627%0.265SS..THydrogen-bonded Turntrans-826.4173.5-79.385.6000113.6L156 E157 I186 L187 I188L156-W190 HydrophobicContact CB-CD2 3.78Å; L156-W190 HydrophobicContact CB-CE3 4.25Å; L156-W190 HydrophobicContact CB-CG 4.19Å; L156-W190 HydrophobicContact CB-CH2 4.26Å; L156-W190 HydrophobicContact CB-CZ2 3.79Å; L156-W190 HydrophobicContact CB-CZ3 4.47Å; L156-W190 HydrophobicContact CD1-CB 4.31Å; L156-W190 VanDerWaalsContact CD1-CD1 3.5Å; L156-W190 HydrophobicContact CD1-CD2 4.28Å; L156-W190 HydrophobicContact CD1-CG 3.78Å; L156-W190 HydrophobicContact CG-CD2 4.45Å; L156-W190 HydrophobicContact CG-CG 4.39Å; L156-W190 WeakPolarHBondContact O-CH2 3.39Å; E157-W190 HydrophobicContact CG-CZ2 4.16Å; I186-W190 VanDerWaalsContact O-CD1 3.29Å; I186-W190 PolarHBondContact O-N 2.77Å; I186-W190 VanDerWaalsContact O-N 3.08Å; L187-W190 PolarHBondContact O-N 2.8Å; I188-W190 PolarHBondContact O-N 3.46Å
191G90.4Very high93.9Very high64 Ų6449.1 Ų49.166%0.6627%0.269SS*.THydrogen-bonded Turntrans80.528.1168.100000115L187 I188 S189L187-G191 PolarHBondContact O-N 2.94Å; I188-G191 PolarHBondContact O-N 3.31Å; S189-G191 PolarHBondContact O-N 3.11Å
192I92.8Very high93.8Very high15 Ų1546.4 Ų46.48%0.07726%0.256CS..  trans-59.8153.3172.363.8159.9000111.7A162 Q163 T172 L187 I188 V194A162-I192 HydrophobicContact CB-CG2 3.53Å; Q163-I192 HydrophobicContact CG-CB 4.22Å; Q163-I192 HydrophobicContact CG-CG2 4.07Å; T172-I192 HydrophobicContact CG2-CD1 3.41Å; T172-I192 VanDerWaalsContact CG2-CD1 3.41Å; T172-I192 WeakPolarHBondContact OG1-CD1 3.43Å; L187-I192 HydrophobicContact CB-CD1 3.86Å; L187-I192 HydrophobicContact CB-CG1 4.33Å; L187-I192 HydrophobicContact CB-CG2 4.3Å; L187-I192 WeakPolarHBondContact O-CG1 3.48Å; L187-I192 WeakPolarHBondContact O-CG2 3.44Å; I188-I192 HydrophobicContact CG1-CD1 4.42Å; I188-I192 HydrophobicContact CG1-CG1 4.46Å; I192-V194 HydrophobicContact CG1-CG1 4.41Å; I192-V194 PolarHBondContact O-N 3.26Å
193D92.8Very high93.7Very high74 Ų7441.2 Ų41.240%0.39623%0.232SC..  trans-72.9106.3163.5-175.716.2000110.8Q163 D195 Q196 K307Q163-D193 PolarHBondContact NE2-O 3.41Å; D193-D195 PolarHBondContact O-N 3.08Å; D193-D195 PolarHBondContact OD1-N 3.19Å; D193-D195 VanDerWaalsContact OD1-N 3.08Å; D193-Q196 WeakPolarHBondContact O-CB 3.44Å; D193-Q196 PolarHBondContact O-N 3.14Å; D193-K307 IonicContact OD1-NZ 3.1Å; D193-K307 PolarHBondContact OD1-NZ 3.28Å; D193-K307 VanDerWaalsContact OD1-NZ 3.1Å
194V93Very high93.7Very high5 Ų541.1 Ų41.13%0.0323%0.231CC..THydrogen-bonded Turntrans-66.4-14.7178.5-53.50000114.2I188 I192 P204 L220 A223 A225I188-V194 HydrophobicContact CD1-CG1 4.43Å; I188-V194 HydrophobicContact CG1-CG1 3.85Å; I192-V194 HydrophobicContact CG1-CG1 4.41Å; I192-V194 PolarHBondContact O-N 3.26Å; V194-P204 WeakPolarHBondContact O-CD 3.33Å; V194-L220 HydrophobicContact CB-CD2 4.2Å; V194-A223 HydrophobicContact CG1-CB 4.19Å; V194-A225 HydrophobicContact CG2-CB 4.01Å
195D94.1Very high93.7Very high20 Ų2041.1 Ų41.111%0.10723%0.231CC..THydrogen-bonded Turntrans-103.919.6177.6-61.6-47.5000112.2D193 D197 A225 D226 K307D193-D195 PolarHBondContact O-N 3.08Å; D193-D195 PolarHBondContact OD1-N 3.19Å; D193-D195 VanDerWaalsContact OD1-N 3.08Å; D195-D197 PolarHBondContact O-N 2.95Å; D195-A225 VanDerWaalsContact OD1-CA 3.26Å; D195-A225 WeakPolarHBondContact OD1-CA 3.46Å; D195-D226 PolarHBondContact OD1-N 2.99Å; D195-K307 IonicContact OD2-NZ 2.71Å; D195-K307 PolarHBondContact OD2-NZ 2.87Å
196Q93.1Very high93.8Very high26 Ų2639.6 Ų39.612%0.12122%0.221CC..  trans-54.3110.4177.8-179.6-179.916.100110.2L164 H173 D193 I198 P204L164-Q196 PolarHBondContact O-NE2 2.76Å; H173-Q196 PolarHBondContact CE1-O 3.13Å; H173-Q196 VanDerWaalsContact CE1-O 3.25Å; H173-Q196 PolarHBondContact NE2-O 3.25Å; D193-Q196 WeakPolarHBondContact O-CB 3.44Å; D193-Q196 PolarHBondContact O-N 3.14Å; Q196-I198 HydrophobicContact CG-CG1 4.45Å; Q196-P204 WeakPolarHBondContact O-CD 3.45Å
197D92.1Very high93.8Very high92 Ų9239.2 Ų39.249%0.49222%0.22SC..  trans-90.4122.5178.1-176.814000110.3D195 G202 T203D195-D197 PolarHBondContact O-N 2.95Å; D197-G202 WeakPolarHBondContact OD1-CA 3.23Å; D197-T203 HydrophobicContact CB-CG2 4.48Å
198I91.4Very high93.9Very high1 Ų139.2 Ų39.21%0.00522%0.22CC..BIsolated β-bridgetrans-108.2120.7173.7-64.3178.5000108H173 Q196 H200 L201 G202H173-I198 WeakPolarHBondContact CE1-CD1 3.48Å; H173-I198 WeakPolarHBondContact ND1-CD1 3.43Å; Q196-I198 HydrophobicContact CG-CG1 4.45Å; I198-H200 WeakPolarHBondContact CG2-CE1 3.38Å; I198-H200 PolarHBondContact O-N 3.38Å; I198-L201 HydrophobicContact CB-CB 4.16Å; I198-L201 HydrophobicContact CD1-CD1 4.3Å; I198-L201 HydrophobicContact CG2-CB 4.23Å; I198-L201 HydrophobicContact CG2-CD1 4.15Å; I198-L201 HydrophobicContact CG2-CG 4.3Å; I198-L201 PolarHBondContact O-N 3.22Å; I198-G202 PolarHBondContact N-O 2.88Å; I198-G202 PolarHBondContact O-N 2.93Å
199P88.3Confident94Very high66 Ų6637.3 Ų37.343%0.42921%0.21SC..THydrogen-bonded Turntrans-50.8-33.8-167.8-31.334.5000116.4Y232P199-Y232 WeakPolarHBondContact O-CE2 2.97Å; P199-Y232 PolarHBondContact O-OH 3.2Å
200H87Confident94.1Very high107 Ų10736.1 Ų36.150%0.49520%0.195SC..THydrogen-bonded Turntrans-93.8-13.9-179.359.6-80.8000114I198 K231I198-H200 WeakPolarHBondContact CG2-CE1 3.38Å; I198-H200 PolarHBondContact O-N 3.38Å; H200-K231 VanDerWaalsContact O-CE 3.25Å; H200-K231 WeakPolarHBondContact O-CE 3.41Å; H200-K231 PolarHBondContact O-NZ 3.26Å
201L91.9Very high94.1Very high61 Ų6132.3 Ų32.332%0.31919%0.188SC..THydrogen-bonded Turntrans-110.7-32.5-178.5-66.7171.6000113.3H173 I198 Y206 V207H173-L201 HydrophobicContact CB-CD1 4.19Å; I198-L201 HydrophobicContact CB-CB 4.16Å; I198-L201 HydrophobicContact CD1-CD1 4.3Å; I198-L201 HydrophobicContact CG2-CB 4.23Å; I198-L201 HydrophobicContact CG2-CD1 4.15Å; I198-L201 HydrophobicContact CG2-CG 4.3Å; I198-L201 PolarHBondContact O-N 3.22Å; L201-Y206 WeakPolarHBondContact O-CD1 3.2Å; L201-V207 HydrophobicContact CB-CG2 4.1Å; L201-V207 WeakPolarHBondContact O-CG2 3.5Å
202G94.8Very high94.4Very high0 Ų031.8 Ų31.80%017%0.168CC..BIsolated β-bridgetrans86.8-152.4-166.400000111.7H173 D197 I198 G230H173-G202 PolarHBondContact NE2-O 2.89Å; D197-G202 WeakPolarHBondContact OD1-CA 3.23Å; I198-G202 PolarHBondContact N-O 2.88Å; I198-G202 PolarHBondContact O-N 2.93Å; G202-G230 WeakPolarHBondContact CA-O 3.13Å
203T96.8Very high94.7Very high1 Ų133.9 Ų33.91%0.00618%0.178CC..  trans-82.5162173.861.90000112.7D197 L205 Y206 V207 K229 G230D197-T203 HydrophobicContact CB-CG2 4.48Å; T203-L205 PolarHBondContact O-N 3.47Å; T203-Y206 WeakPolarHBondContact O-CB 3.41Å; T203-Y206 PolarHBondContact O-N 3.2Å; T203-Y206 VanDerWaalsContact O-N 3.15Å; T203-Y206 PolarHBondContact OG1-N 3.27Å; T203-V207 PolarHBondContact O-N 3.1Å; T203-V207 VanDerWaalsContact O-N 3.1Å; T203-K229 HydrophobicContact CG2-CB 3.91Å; T203-K229 WeakPolarHBondContact CG2-O 3.18Å; T203-K229 PolarHBondContact OG1-O 2.96Å; T203-G230 PolarHBondContact N-O 2.91Å
204P97.3Very high94.9Very high0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-57.8-35.2172.7-24.933.9000112.7T172 H173 A176 V194 Q196 V207 A208 L220T172-P204 HydrophobicContact CG2-CB 3.99Å; T172-P204 HydrophobicContact CG2-CG 3.73Å; H173-P204 WeakPolarHBondContact NE2-CD 3.43Å; A176-P204 HydrophobicContact CB-CB 4.2Å; V194-P204 WeakPolarHBondContact O-CD 3.33Å; Q196-P204 WeakPolarHBondContact O-CD 3.45Å; P204-V207 PolarHBondContact O-N 3.27Å; P204-A208 WeakPolarHBondContact O-CB 3.11Å; P204-A208 PolarHBondContact O-N 3.23Å; P204-L220 HydrophobicContact CB-CD1 4.03Å; P204-L220 HydrophobicContact CB-CD2 4.16Å
205L98.1Very high95.1Very high0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-64-44.6177.7-179.962.8000111.2T203 A208 C209 I217 L220 L221 A225 P236T203-L205 PolarHBondContact O-N 3.47Å; L205-A208 PolarHBondContact O-N 3.23Å; L205-C209 PolarHBondContact O-N 2.98Å; L205-C209 PolarHBondContact O-SG 3.48Å; L205-I217 HydrophobicContact CD1-CB 4.33Å; L205-I217 HydrophobicContact CD1-CG1 4.45Å; L205-I217 HydrophobicContact CD1-CG2 3.85Å; L205-L220 HydrophobicContact CB-CD1 4.24Å; L205-L220 HydrophobicContact CD1-CB 4.18Å; L205-L220 HydrophobicContact CD1-CD1 4.43Å; L205-L221 HydrophobicContact CD1-CD2 4.17Å; L205-L221 HydrophobicContact CD1-CG 4.04Å; L205-L221 HydrophobicContact CD2-CD2 3.75Å; L205-A225 HydrophobicContact CB-CB 4.49Å; L205-A225 HydrophobicContact CD2-CB 4.2Å; L205-P236 HydrophobicContact CD2-CB 4.24Å; L205-P236 HydrophobicContact CD2-CG 3.89Å; L205-P236 HydrophobicContact CG-CB 4.13Å; L205-P236 HydrophobicContact CG-CG 4.03Å
206Y97.8Very high95.3Very high22 Ų2238.1 Ų38.19%0.08619%0.193CC..Hα-helixtrans-60.9-47.3176.5-179-93.5000112.2L201 T203 A208 C209 M210 K231 D234 A239L201-Y206 WeakPolarHBondContact O-CD1 3.2Å; T203-Y206 WeakPolarHBondContact O-CB 3.41Å; T203-Y206 PolarHBondContact O-N 3.2Å; T203-Y206 VanDerWaalsContact O-N 3.15Å; T203-Y206 PolarHBondContact OG1-N 3.27Å; Y206-A208 VanDerWaalsContact C-N 3.33Å; Y206-A208 PolarHBondContact O-N 3.15Å; Y206-C209 WeakPolarHBondContact O-CB 3.35Å; Y206-C209 PolarHBondContact O-N 3.44Å; Y206-C209 VanDerWaalsContact O-N 3.15Å; Y206-M210 HydrophobicContact CD1-CG 4.07Å; Y206-M210 HydrophobicContact CE1-CG 3.66Å; Y206-M210 HydrophobicContact CE1-SD 4.41Å; Y206-M210 WeakPolarHBondContact O-CG 3.12Å; Y206-M210 PolarHBondContact O-N 3.4Å; Y206-K231 HydrophobicContact CD1-CB 3.82Å; Y206-K231 HydrophobicContact CD2-CB 4.3Å; Y206-K231 HydrophobicContact CE1-CB 3.6Å; Y206-K231 HydrophobicContact CE1-CD 3.98Å; Y206-K231 HydrophobicContact CE1-CG 4.44Å; Y206-K231 HydrophobicContact CE2-CB 4.08Å; Y206-K231 HydrophobicContact CG-CB 4.17Å; Y206-D234 HydrophobicContact CE2-CB 4.07Å; Y206-D234 WeakPolarHBondContact CE2-OD2 3.37Å; Y206-D234 PolarHBondContact OH-OD2 3.04Å; Y206-A239 HydrophobicContact CD2-CB 3.93Å; Y206-A239 HydrophobicContact CE2-CB 3.63Å
207V97.3Very high95.5Very high14 Ų1436.9 Ų36.99%0.08519%0.187CC..Hα-helixtrans-61.2-42.5177.9173.80000111.1S177 L201 T203 P204 C209 M210 S211S177-V207 VanDerWaalsContact CB-CG1 3.46Å; L201-V207 HydrophobicContact CB-CG2 4.1Å; L201-V207 WeakPolarHBondContact O-CG2 3.5Å; T203-V207 PolarHBondContact O-N 3.1Å; T203-V207 VanDerWaalsContact O-N 3.1Å; P204-V207 PolarHBondContact O-N 3.27Å; V207-C209 VanDerWaalsContact C-N 3.32Å; V207-C209 PolarHBondContact O-N 3.4Å; V207-M210 PolarHBondContact O-N 2.78Å; V207-S211 PolarHBondContact O-N 2.94Å; V207-S211 PolarHBondContact O-OG 3.39Å
208A97.8Very high95.7Very high0 Ų036.7 Ų36.70%018%0.18CC..Hα-helixtrans-62.1-38.5175.400000112.3A176 P204 L205 Y206 S211 Q212 Q213 C216 I217 L220A176-A208 HydrophobicContact CB-CB 4.25Å; P204-A208 WeakPolarHBondContact O-CB 3.11Å; P204-A208 PolarHBondContact O-N 3.23Å; L205-A208 PolarHBondContact O-N 3.23Å; Y206-A208 VanDerWaalsContact C-N 3.33Å; Y206-A208 PolarHBondContact O-N 3.15Å; A208-S211 CarbonylContact O-C 3.54Å; A208-S211 PolarHBondContact O-N 3.13Å; A208-Q212 PolarHBondContact O-N 3.26Å; A208-Q213 HydrophobicContact CB-CB 4.39Å; A208-Q213 PolarHBondContact O-N 2.84Å; A208-C216 HydrophobicContact CB-CB 4.08Å; A208-I217 HydrophobicContact CB-CD1 4.46Å; A208-I217 HydrophobicContact CB-CG1 3.6Å; A208-L220 HydrophobicContact CB-CD1 4.36Å
209C97.7Very high96Very high0 Ų039.3 Ų39.30%019%0.191CC..Hα-helixtrans-64.8-45.7174.2-70.30000112.1L205 Y206 V207 S211 Q212 I217 A239L205-C209 PolarHBondContact O-N 2.98Å; L205-C209 PolarHBondContact O-SG 3.48Å; Y206-C209 WeakPolarHBondContact O-CB 3.35Å; Y206-C209 PolarHBondContact O-N 3.44Å; Y206-C209 VanDerWaalsContact O-N 3.15Å; V207-C209 VanDerWaalsContact C-N 3.32Å; V207-C209 PolarHBondContact O-N 3.4Å; C209-S211 VanDerWaalsContact C-N 3.27Å; C209-S211 PolarHBondContact O-N 3.1Å; C209-Q212 PolarHBondContact O-N 3.43Å; C209-Q212 VanDerWaalsContact O-N 3.13Å; C209-Q212 PolarHBondContact O-NE2 2.91Å; C209-I217 HydrophobicContact CB-CD1 4.45Å; C209-A239 HydrophobicContact CB-CB 4.02Å
210M96.3Very high96.4Very high67 Ų6736.1 Ų36.133%0.3317%0.17SC..Hα-helixtrans-59.9-38.6176.1-73.2-61.2-66.400112.1Y206 V207 Q212 A239Y206-M210 HydrophobicContact CD1-CG 4.07Å; Y206-M210 HydrophobicContact CE1-CG 3.66Å; Y206-M210 HydrophobicContact CE1-SD 4.41Å; Y206-M210 WeakPolarHBondContact O-CG 3.12Å; Y206-M210 PolarHBondContact O-N 3.4Å; V207-M210 PolarHBondContact O-N 2.78Å; M210-Q212 VanDerWaalsContact C-N 3.35Å; M210-A239 HydrophobicContact CG-CB 3.8Å; M210-A239 HydrophobicContact SD-CB 3.41Å; M210-A239 WeakPolarHBondContact SD-CB 3.39Å
211S96.2Very high96.8Very high44 Ų4431 Ų3131%0.30815%0.147SC..THydrogen-bonded Turntrans-88.54.6178.5-58.50000114.2S177 V207 A208 C209 Q213S177-S211 WeakPolarHBondContact O-CB 3.41Å; S177-S211 PolarHBondContact O-OG 2.93Å; S177-S211 PolarHBondContact OG-OG 2.85Å; V207-S211 PolarHBondContact O-N 2.94Å; V207-S211 PolarHBondContact O-OG 3.39Å; A208-S211 CarbonylContact O-C 3.54Å; A208-S211 PolarHBondContact O-N 3.13Å; C209-S211 VanDerWaalsContact C-N 3.27Å; C209-S211 PolarHBondContact O-N 3.1Å; S211-Q213 VanDerWaalsContact C-N 3.29Å; S211-Q213 PolarHBondContact O-N 3.36Å; S211-Q213 PolarHBondContact O-NE2 3.49Å
212Q96.8Very high96.8Very high53 Ų5331.2 Ų31.225%0.24814%0.144CC..THydrogen-bonded Turntrans57.733.7178.9-60.2-71.3-79.900114.8A208 C209 M210 F214 Q243 I248A208-Q212 PolarHBondContact O-N 3.26Å; C209-Q212 PolarHBondContact O-N 3.43Å; C209-Q212 VanDerWaalsContact O-N 3.13Å; C209-Q212 PolarHBondContact O-NE2 2.91Å; M210-Q212 VanDerWaalsContact C-N 3.35Å; Q212-F214 PolarHBondContact O-N 3.46Å; Q212-F214 VanDerWaalsContact O-N 3.15Å; Q212-Q243 HydrophobicContact CG-CB 4.15Å; Q212-Q243 HydrophobicContact CG-CG 4.15Å; Q212-Q243 VanDerWaalsContact NE2-CG 3.31Å; Q212-I248 HydrophobicContact CB-CD1 4.17Å
213Q97.7Very high96.7Very high58 Ų5832.8 Ų32.827%0.27116%0.157SC..  trans-89.377.8-175.4-57.7-60.9-8.300112.1A176 S177 G179 A208 S211 H215 C216 I217A176-Q213 WeakPolarHBondContact O-CG 3Å; S177-Q213 WeakPolarHBondContact O-CG 3.41Å; S177-Q213 PolarHBondContact O-NE2 3.07Å; G179-Q213 VanDerWaalsContact CA-CD 3.43Å; G179-Q213 VanDerWaalsContact CA-OE1 3.31Å; A208-Q213 HydrophobicContact CB-CB 4.39Å; A208-Q213 PolarHBondContact O-N 2.84Å; S211-Q213 VanDerWaalsContact C-N 3.29Å; S211-Q213 PolarHBondContact O-N 3.36Å; S211-Q213 PolarHBondContact O-NE2 3.49Å; Q213-H215 VanDerWaalsContact C-N 3.33Å; Q213-H215 PolarHBondContact O-N 2.95Å; Q213-C216 HydrophobicContact CB-CB 4.06Å; Q213-C216 PolarHBondContact O-N 3.14Å; Q213-C216 VanDerWaalsContact O-N 3.11Å; Q213-I217 VanDerWaalsContact O-CG1 3.31Å; Q213-I217 WeakPolarHBondContact O-CG1 3.35Å; Q213-I217 PolarHBondContact O-N 2.77Å
214F97.2Very high96.5Very high73 Ų7333.4 Ų33.432%0.3216%0.163SC..Hα-helixtrans-48.8-47.5-174.9179-94.4000114.2Q212 C216 I217 W218 E247 I248 L251Q212-F214 PolarHBondContact O-N 3.46Å; Q212-F214 VanDerWaalsContact O-N 3.15Å; F214-C216 PolarHBondContact O-N 2.92Å; F214-I217 PolarHBondContact O-N 3.29Å; F214-W218 WeakPolarHBondContact O-CB 3.37Å; F214-W218 PolarHBondContact O-N 3.11Å; F214-E247 HydrophobicContact CD2-CB 4.19Å; F214-E247 HydrophobicContact CE2-CB 4.12Å; F214-I248 HydrophobicContact CB-CG1 4.44Å; F214-I248 HydrophobicContact CD2-CG1 4.1Å; F214-L251 HydrophobicContact CD2-CD2 4.39Å; F214-L251 HydrophobicContact CE2-CD2 3.89Å; F214-L251 HydrophobicContact CZ-CD2 4.33Å
215H97.6Very high96.4Very high116 Ų11633.8 Ų33.854%0.53717%0.166SC..Hα-helixtrans-65.9-38.8-177.6-66.991000112.4H181 Q213 W218 K219H181-H215 HydrophobicContact CB-CB 4.04Å; Q213-H215 VanDerWaalsContact C-N 3.33Å; Q213-H215 PolarHBondContact O-N 2.95Å; H215-W218 PolarHBondContact O-N 2.64Å; H215-K219 VanDerWaalsContact O-CG 3.3Å; H215-K219 WeakPolarHBondContact O-CG 3.28Å; H215-K219 PolarHBondContact O-N 3.32Å
216C97.8Very high96.2Very high0 Ų036.7 Ų36.70%018%0.182CC..Hα-helixtrans-65.2-43.5174.2-70.40000111.6G179 L184 A208 Q213 F214 W218 K219 L220G179-C216 VanDerWaalsContact CA-SG 3.56Å; L184-C216 HydrophobicContact CD2-CB 3.89Å; A208-C216 HydrophobicContact CB-CB 4.08Å; Q213-C216 HydrophobicContact CB-CB 4.06Å; Q213-C216 PolarHBondContact O-N 3.14Å; Q213-C216 VanDerWaalsContact O-N 3.11Å; F214-C216 PolarHBondContact O-N 2.92Å; C216-W218 VanDerWaalsContact C-N 3.32Å; C216-W218 PolarHBondContact O-N 3.16Å; C216-K219 PolarHBondContact O-N 3.32Å; C216-L220 WeakPolarHBondContact O-CB 3.47Å; C216-L220 VanDerWaalsContact O-CG 3.28Å; C216-L220 WeakPolarHBondContact O-CG 3.44Å; C216-L220 PolarHBondContact O-N 3.19Å
217I98.1Very high96.2Very high0 Ų036.2 Ų36.20%018%0.181CC..Hα-helixtrans-58.4-47.8176.3-63.5164.8000109.9L205 A208 C209 Q213 F214 K219 L220 L221 I248 L251 L252L205-I217 HydrophobicContact CD1-CB 4.33Å; L205-I217 HydrophobicContact CD1-CG1 4.45Å; L205-I217 HydrophobicContact CD1-CG2 3.85Å; A208-I217 HydrophobicContact CB-CD1 4.46Å; A208-I217 HydrophobicContact CB-CG1 3.6Å; C209-I217 HydrophobicContact CB-CD1 4.45Å; Q213-I217 VanDerWaalsContact O-CG1 3.31Å; Q213-I217 WeakPolarHBondContact O-CG1 3.35Å; Q213-I217 PolarHBondContact O-N 2.77Å; F214-I217 PolarHBondContact O-N 3.29Å; I217-K219 PolarHBondContact O-N 3.31Å; I217-L220 PolarHBondContact O-N 2.82Å; I217-L221 HydrophobicContact CG2-CD1 3.75Å; I217-L221 HydrophobicContact CG2-CG 4.38Å; I217-L221 WeakPolarHBondContact O-CB 3.49Å; I217-L221 VanDerWaalsContact O-CG 3.28Å; I217-L221 WeakPolarHBondContact O-CG 3.25Å; I217-L221 PolarHBondContact O-N 3.44Å; I217-I248 HydrophobicContact CD1-CB 4.34Å; I217-I248 HydrophobicContact CD1-CD1 3.62Å; I217-I248 HydrophobicContact CD1-CG1 3.79Å; I217-I248 HydrophobicContact CD1-CG2 3.64Å; I217-L251 HydrophobicContact CG2-CD2 3.87Å; I217-L252 HydrophobicContact CG2-CD2 4.41Å
218W96.9Very high96.1Very high88 Ų8838.9 Ų38.933%0.33319%0.193SC..Hα-helixtrans-57.3-49.1176.7-171.892.9000111.3F214 H215 C216 L220 L221 Y222 L251F214-W218 WeakPolarHBondContact O-CB 3.37Å; F214-W218 PolarHBondContact O-N 3.11Å; H215-W218 PolarHBondContact O-N 2.64Å; C216-W218 VanDerWaalsContact C-N 3.32Å; C216-W218 PolarHBondContact O-N 3.16Å; W218-L220 PolarHBondContact O-N 3.45Å; W218-L221 PolarHBondContact O-N 2.82Å; W218-Y222 AromaticContact CD1-CE2 3.59Å; W218-Y222 AromaticContact CD2-CD2 3.89Å; W218-Y222 HydrophobicContact CD2-CD2 3.89Å; W218-Y222 AromaticContact CD2-CE2 3.86Å; W218-Y222 HydrophobicContact CD2-CE2 3.86Å; W218-Y222 HydrophobicContact CD2-CG 4.46Å; W218-Y222 AromaticContact CE2-CD2 3.72Å; W218-Y222 AromaticContact CE2-CE2 3.27Å; W218-Y222 AromaticContact CE2-CZ 3.39Å; W218-Y222 HydrophobicContact CE3-CD2 4.43Å; W218-Y222 HydrophobicContact CG-CD2 4.17Å; W218-Y222 HydrophobicContact CG-CE2 4.03Å; W218-Y222 HydrophobicContact CH2-CD1 4.1Å; W218-Y222 HydrophobicContact CH2-CE1 4.07Å; W218-Y222 HydrophobicContact CH2-CG 4.32Å; W218-Y222 AromaticContact CZ2-CD1 3.94Å; W218-Y222 HydrophobicContact CZ2-CD1 3.94Å; W218-Y222 HydrophobicContact CZ2-CD2 4.09Å; W218-Y222 AromaticContact CZ2-CE1 3.5Å; W218-Y222 HydrophobicContact CZ2-CE1 3.5Å; W218-Y222 AromaticContact CZ2-CE2 3.7Å; W218-Y222 HydrophobicContact CZ2-CE2 3.7Å; W218-Y222 HydrophobicContact CZ2-CG 4.18Å; W218-Y222 AromaticContact CZ2-CZ 3.34Å; W218-Y222 AromaticContact NE1-CD2 3.93Å; W218-Y222 AromaticContact NE1-CE2 3.11Å; W218-Y222 AromaticContact NE1-CZ 3.38Å; W218-Y222 PolarHBondContact NE1-OH 2.97Å; W218-Y222 WeakPolarHBondContact O-CD2 3.44Å; W218-Y222 PolarHBondContact O-N 3.41Å; W218-L251 HydrophobicContact CB-CD2 4.17Å
219K95.9Very high96Very high55 Ų5544.1 Ų44.124%0.23922%0.215CC..Hα-helixtrans-60.7-45.7178.1-69.7-60.9-171.7147.10113.2H181 D185 H215 C216 I217 Y222 A223H181-K219 HydrophobicContact CB-CG 4.38Å; D185-K219 WeakPolarHBondContact OD1-CD 3.21Å; D185-K219 VanDerWaalsContact OD1-CE 3.24Å; D185-K219 WeakPolarHBondContact OD1-CE 3.15Å; D185-K219 IonicContact OD1-NZ 2.81Å; D185-K219 PolarHBondContact OD1-NZ 3.2Å; D185-K219 WeakPolarHBondContact OD2-CE 3.34Å; D185-K219 IonicContact OD2-NZ 2.67Å; D185-K219 PolarHBondContact OD2-NZ 3.07Å; H215-K219 VanDerWaalsContact O-CG 3.3Å; H215-K219 WeakPolarHBondContact O-CG 3.28Å; H215-K219 PolarHBondContact O-N 3.32Å; C216-K219 PolarHBondContact O-N 3.32Å; I217-K219 PolarHBondContact O-N 3.31Å; K219-Y222 PolarHBondContact O-N 3.13Å; K219-A223 WeakPolarHBondContact O-CB 3.35Å; K219-A223 PolarHBondContact O-N 3.15Å
220L96.7Very high95.9Very high0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-62.5-45.8179.8-71.6166.1000111.7L184 I188 V194 P204 L205 A208 C216 I217 W218 Y222 A223 G224 A225L184-L220 HydrophobicContact CD1-CD2 4.27Å; L184-L220 HydrophobicContact CD2-CD1 4.05Å; L184-L220 HydrophobicContact CD2-CD2 4.01Å; L184-L220 HydrophobicContact CD2-CG 3.76Å; L184-L220 HydrophobicContact CG-CD2 4.4Å; I188-L220 HydrophobicContact CD1-CD2 4.42Å; V194-L220 HydrophobicContact CB-CD2 4.2Å; P204-L220 HydrophobicContact CB-CD1 4.03Å; P204-L220 HydrophobicContact CB-CD2 4.16Å; L205-L220 HydrophobicContact CB-CD1 4.24Å; L205-L220 HydrophobicContact CD1-CB 4.18Å; L205-L220 HydrophobicContact CD1-CD1 4.43Å; A208-L220 HydrophobicContact CB-CD1 4.36Å; C216-L220 WeakPolarHBondContact O-CB 3.47Å; C216-L220 VanDerWaalsContact O-CG 3.28Å; C216-L220 WeakPolarHBondContact O-CG 3.44Å; C216-L220 PolarHBondContact O-N 3.19Å; I217-L220 PolarHBondContact O-N 2.82Å; W218-L220 PolarHBondContact O-N 3.45Å; L220-Y222 PolarHBondContact O-N 3.23Å; L220-A223 CarbonylContact O-C 3.46Å; L220-A223 PolarHBondContact O-N 3.36Å; L220-G224 PolarHBondContact O-N 3.04Å; L220-G224 VanDerWaalsContact O-N 3.14Å; L220-A225 HydrophobicContact CB-CB 4Å; L220-A225 WeakPolarHBondContact O-CB 3.42Å; L220-A225 PolarHBondContact O-N 3.45Å
221L95.8Very high95.8Very high0 Ų044.2 Ų44.20%022%0.215CC..Hα-helixtrans-64.7-40.1179-70.6172.8000112.2L205 I217 W218 A223 G224 V227 L251 L252 F255L205-L221 HydrophobicContact CD1-CD2 4.17Å; L205-L221 HydrophobicContact CD1-CG 4.04Å; L205-L221 HydrophobicContact CD2-CD2 3.75Å; I217-L221 HydrophobicContact CG2-CD1 3.75Å; I217-L221 HydrophobicContact CG2-CG 4.38Å; I217-L221 WeakPolarHBondContact O-CB 3.49Å; I217-L221 VanDerWaalsContact O-CG 3.28Å; I217-L221 WeakPolarHBondContact O-CG 3.25Å; I217-L221 PolarHBondContact O-N 3.44Å; W218-L221 PolarHBondContact O-N 2.82Å; L221-A223 VanDerWaalsContact C-N 3.35Å; L221-G224 WeakPolarHBondContact O-CA 3.3Å; L221-G224 PolarHBondContact O-N 3.39Å; L221-V227 HydrophobicContact CD2-CB 4.13Å; L221-V227 HydrophobicContact CD2-CG2 4.05Å; L221-L251 HydrophobicContact CD1-CD1 4.44Å; L221-L251 HydrophobicContact CD1-CD2 3.99Å; L221-L251 HydrophobicContact CD1-CG 3.74Å; L221-L252 HydrophobicContact CD1-CD2 4.16Å; L221-L252 HydrophobicContact CD2-CD2 4.48Å; L221-F255 HydrophobicContact CB-CD1 3.76Å; L221-F255 HydrophobicContact CB-CD2 4.04Å; L221-F255 HydrophobicContact CB-CE1 3.72Å; L221-F255 HydrophobicContact CB-CE2 4.01Å; L221-F255 HydrophobicContact CB-CG 3.92Å; L221-F255 HydrophobicContact CB-CZ 3.85Å; L221-F255 HydrophobicContact CD1-CB 4.31Å; L221-F255 HydrophobicContact CD1-CD2 3.78Å; L221-F255 HydrophobicContact CD1-CE2 4.28Å; L221-F255 HydrophobicContact CD1-CG 3.98Å; L221-F255 HydrophobicContact CD2-CB 3.95Å; L221-F255 HydrophobicContact CD2-CD1 4.19Å; L221-F255 HydrophobicContact CD2-CG 4Å; L221-F255 HydrophobicContact CG-CD1 4.42Å; L221-F255 HydrophobicContact CG-CD2 4.37Å; L221-F255 HydrophobicContact CG-CG 4.19Å; L221-F255 VanDerWaalsContact O-CE1 3.31Å; L221-F255 WeakPolarHBondContact O-CE1 3.49Å
222Y92.8Very high95.7Very high65 Ų6549.8 Ų49.826%0.25523%0.231SC..Hα-helixtrans-69.3-33.8176.2-85.2-112.8000112.5W218 K219 L220 G224 F255 Y328W218-Y222 AromaticContact CD1-CE2 3.59Å; W218-Y222 AromaticContact CD2-CD2 3.89Å; W218-Y222 HydrophobicContact CD2-CD2 3.89Å; W218-Y222 AromaticContact CD2-CE2 3.86Å; W218-Y222 HydrophobicContact CD2-CE2 3.86Å; W218-Y222 HydrophobicContact CD2-CG 4.46Å; W218-Y222 AromaticContact CE2-CD2 3.72Å; W218-Y222 AromaticContact CE2-CE2 3.27Å; W218-Y222 AromaticContact CE2-CZ 3.39Å; W218-Y222 HydrophobicContact CE3-CD2 4.43Å; W218-Y222 HydrophobicContact CG-CD2 4.17Å; W218-Y222 HydrophobicContact CG-CE2 4.03Å; W218-Y222 HydrophobicContact CH2-CD1 4.1Å; W218-Y222 HydrophobicContact CH2-CE1 4.07Å; W218-Y222 HydrophobicContact CH2-CG 4.32Å; W218-Y222 AromaticContact CZ2-CD1 3.94Å; W218-Y222 HydrophobicContact CZ2-CD1 3.94Å; W218-Y222 HydrophobicContact CZ2-CD2 4.09Å; W218-Y222 AromaticContact CZ2-CE1 3.5Å; W218-Y222 HydrophobicContact CZ2-CE1 3.5Å; W218-Y222 AromaticContact CZ2-CE2 3.7Å; W218-Y222 HydrophobicContact CZ2-CE2 3.7Å; W218-Y222 HydrophobicContact CZ2-CG 4.18Å; W218-Y222 AromaticContact CZ2-CZ 3.34Å; W218-Y222 AromaticContact NE1-CD2 3.93Å; W218-Y222 AromaticContact NE1-CE2 3.11Å; W218-Y222 AromaticContact NE1-CZ 3.38Å; W218-Y222 PolarHBondContact NE1-OH 2.97Å; W218-Y222 WeakPolarHBondContact O-CD2 3.44Å; W218-Y222 PolarHBondContact O-N 3.41Å; K219-Y222 PolarHBondContact O-N 3.13Å; L220-Y222 PolarHBondContact O-N 3.23Å; Y222-G224 PolarHBondContact O-N 3.04Å; Y222-F255 HydrophobicContact CD2-CE1 4.45Å; Y222-F255 HydrophobicContact CD2-CE2 4.22Å; Y222-F255 AromaticContact CD2-CZ 3.56Å; Y222-F255 HydrophobicContact CD2-CZ 3.56Å; Y222-F255 AromaticContact CE2-CE2 3.9Å; Y222-F255 HydrophobicContact CE2-CE2 3.9Å; Y222-F255 AromaticContact CE2-CZ 3.54Å; Y222-F255 HydrophobicContact CE2-CZ 3.54Å; Y222-F255 HydrophobicContact CG-CZ 4.38Å; Y222-Y328 WeakPolarHBondContact CE1-O 3.46Å; Y222-Y328 VanDerWaalsContact OH-CB 3.3Å; Y222-Y328 WeakPolarHBondContact OH-CB 3.46Å; Y222-Y328 PolarHBondContact OH-O 2.93Å
223A92.2Very high95.5Very high33 Ų3355.9 Ų55.927%0.27325%0.252SS..THydrogen-bonded Turntrans-68.6-8.6169.500000113I188 V194 K219 L220 L221I188-A223 HydrophobicContact CD1-CB 3.97Å; I188-A223 HydrophobicContact CG1-CB 4.47Å; I188-A223 HydrophobicContact CG2-CB 3.82Å; V194-A223 HydrophobicContact CG1-CB 4.19Å; K219-A223 WeakPolarHBondContact O-CB 3.35Å; K219-A223 PolarHBondContact O-N 3.15Å; L220-A223 CarbonylContact O-C 3.46Å; L220-A223 PolarHBondContact O-N 3.36Å; L221-A223 VanDerWaalsContact C-N 3.35Å
224G92.1Very high95.4Very high13 Ų1354 Ų5413%0.13424%0.243CC..THydrogen-bonded Turntrans90.728.5175.300000114L220 L221 Y222 K307L220-G224 PolarHBondContact O-N 3.04Å; L220-G224 VanDerWaalsContact O-N 3.14Å; L221-G224 WeakPolarHBondContact O-CA 3.3Å; L221-G224 PolarHBondContact O-N 3.39Å; Y222-G224 PolarHBondContact O-N 3.04Å; G224-K307 WeakPolarHBondContact O-CD 3.22Å
225A95.3Very high95.4Very high9 Ų951.1 Ų51.17%0.07423%0.231CC..  trans-57.3142.7168.500000111.1V194 D195 L205 L220 V227V194-A225 HydrophobicContact CG2-CB 4.01Å; D195-A225 VanDerWaalsContact OD1-CA 3.26Å; D195-A225 WeakPolarHBondContact OD1-CA 3.46Å; L205-A225 HydrophobicContact CB-CB 4.49Å; L205-A225 HydrophobicContact CD2-CB 4.2Å; L220-A225 HydrophobicContact CB-CB 4Å; L220-A225 WeakPolarHBondContact O-CB 3.42Å; L220-A225 PolarHBondContact O-N 3.45Å; A225-V227 PolarHBondContact O-N 3.13Å
226D95.3Very high95.4Very high60 Ų6045.6 Ų45.632%0.32121%0.206SC..  trans-74.6109178.6-172.4-16.8000109.7D195 Q228 K229D195-D226 PolarHBondContact OD1-N 2.99Å; D226-Q228 PolarHBondContact O-N 3.34Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.3Å; D226-Q228 PolarHBondContact OD1-N 3.4Å; D226-K229 HydrophobicContact CB-CB 4.13Å; D226-K229 HydrophobicContact CB-CD 4.03Å; D226-K229 HydrophobicContact CB-CG 4.02Å; D226-K229 PolarHBondContact O-N 3.02Å; D226-K229 VanDerWaalsContact O-N 3.13Å; D226-K229 WeakPolarHBondContact OD2-CE 3.37Å; D226-K229 WeakPolarHBondContact OD2-CG 3.46Å
227V96.4Very high95.4Very high13 Ų1345.6 Ų45.68%0.07921%0.206CC..THydrogen-bonded Turntrans-60.5-16.2-178.475.20000113.5L221 A225 P236 L252 F255 A257L221-V227 HydrophobicContact CD2-CB 4.13Å; L221-V227 HydrophobicContact CD2-CG2 4.05Å; A225-V227 PolarHBondContact O-N 3.13Å; V227-P236 VanDerWaalsContact O-CD 3.29Å; V227-P236 WeakPolarHBondContact O-CD 3.23Å; V227-P236 WeakPolarHBondContact O-CG 3.41Å; V227-L252 HydrophobicContact CG2-CB 4.21Å; V227-L252 HydrophobicContact CG2-CD2 3.7Å; V227-F255 HydrophobicContact CB-CB 4.4Å; V227-F255 HydrophobicContact CG2-CB 4.16Å; V227-A257 HydrophobicContact CG1-CB 4.47Å; V227-A257 HydrophobicContact CG2-CB 3.77Å
228Q95.9Very high95.4Very high70 Ų7045.6 Ų45.633%0.32721%0.206SC..THydrogen-bonded Turntrans-94.7-24.9-179.4-50.9-66.649.100113D226 G230 T235 D258D226-Q228 PolarHBondContact O-N 3.34Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.3Å; D226-Q228 PolarHBondContact OD1-N 3.4Å; Q228-G230 PolarHBondContact O-N 2.92Å; Q228-T235 WeakPolarHBondContact O-CG2 3.49Å; Q228-D258 VanDerWaalsContact NE2-N 3.2Å
229K95.5Very high95.3Very high109 Ų10941.4 Ų41.447%0.47419%0.19SC..  trans-82.8110.1-177-74.2-175.9-177.6-177.60110.6T203 D226T203-K229 HydrophobicContact CG2-CB 3.91Å; T203-K229 WeakPolarHBondContact CG2-O 3.18Å; T203-K229 PolarHBondContact OG1-O 2.96Å; D226-K229 HydrophobicContact CB-CB 4.13Å; D226-K229 HydrophobicContact CB-CD 4.03Å; D226-K229 HydrophobicContact CB-CG 4.02Å; D226-K229 PolarHBondContact O-N 3.02Å; D226-K229 VanDerWaalsContact O-N 3.13Å; D226-K229 WeakPolarHBondContact OD2-CE 3.37Å; D226-K229 WeakPolarHBondContact OD2-CG 3.46Å
230G95.1Very high95.4Very high4 Ų438.8 Ų38.84%0.04118%0.179CC..  trans-116.5-120.9174.200000112.5G202 T203 Q228 D234G202-G230 WeakPolarHBondContact CA-O 3.13Å; T203-G230 PolarHBondContact N-O 2.91Å; Q228-G230 PolarHBondContact O-N 2.92Å; G230-D234 CarbonylContact C-O 3.38Å; G230-D234 WeakPolarHBondContact CA-O 3.14Å
231K95.3Very high95.3Very high65 Ų6538.8 Ų38.828%0.28318%0.179SC..BIsolated β-bridgetrans-113.9112.3178-177.7178.5168.91750109.4H200 Y206 W233 D234H200-K231 VanDerWaalsContact O-CE 3.25Å; H200-K231 WeakPolarHBondContact O-CE 3.41Å; H200-K231 PolarHBondContact O-NZ 3.26Å; Y206-K231 HydrophobicContact CD1-CB 3.82Å; Y206-K231 HydrophobicContact CD2-CB 4.3Å; Y206-K231 HydrophobicContact CE1-CB 3.6Å; Y206-K231 HydrophobicContact CE1-CD 3.98Å; Y206-K231 HydrophobicContact CE1-CG 4.44Å; Y206-K231 HydrophobicContact CE2-CB 4.08Å; Y206-K231 HydrophobicContact CG-CB 4.17Å; K231-W233 PolarHBondContact O-N 3.04Å; K231-W233 VanDerWaalsContact O-N 3.16Å; K231-D234 PolarHBondContact N-O 3.43Å; K231-D234 WeakPolarHBondContact O-CB 3.35Å; K231-D234 PolarHBondContact O-N 3.42Å
232Y92.8Very high95.2Very high162 Ų16242.5 Ų42.564%0.63520%0.196SC*.THydrogen-bonded Turntrans55-114.3-170.1-54.9-75.9000111.5P199P199-Y232 WeakPolarHBondContact O-CE2 2.97Å; P199-Y232 PolarHBondContact O-OH 3.2Å
233W93.5Very high95.1Very high181 Ų18142.5 Ų42.569%0.68620%0.198SC*.THydrogen-bonded Turntrans-96.7-5.8176.6-63.789.2000113K231 T235 N263 T264K231-W233 PolarHBondContact O-N 3.04Å; K231-W233 VanDerWaalsContact O-N 3.16Å; W233-T235 PolarHBondContact O-N 3.49Å; W233-N263 WeakPolarHBondContact O-CA 3.35Å; W233-T264 HydrophobicContact CB-CG2 3.98Å; W233-T264 HydrophobicContact CG-CG2 4.23Å
234D95.9Very high94.8Very high19 Ų1946 Ų4610%0.10222%0.221CC..BIsolated β-bridgetrans-81.9113.6178.5-157.947.7000109.3Y206 G230 K231 H238 N263Y206-D234 HydrophobicContact CE2-CB 4.07Å; Y206-D234 WeakPolarHBondContact CE2-OD2 3.37Å; Y206-D234 PolarHBondContact OH-OD2 3.04Å; G230-D234 CarbonylContact C-O 3.38Å; G230-D234 WeakPolarHBondContact CA-O 3.14Å; K231-D234 PolarHBondContact N-O 3.43Å; K231-D234 WeakPolarHBondContact O-CB 3.35Å; K231-D234 PolarHBondContact O-N 3.42Å; D234-H238 WeakPolarHBondContact OD1-CB 3.48Å; D234-H238 IonicContact OD1-CD2 2.75Å; D234-H238 IonicContact OD1-CG 3.25Å; D234-N263 HydrophobicContact CB-CB 4.49Å
235T97.4Very high94.9Very high11 Ų1146.3 Ų46.37%0.06722%0.221CC..  trans-83.6161-175.773.70000111.2Q228 W233 L237 H238 A239 A261Q228-T235 WeakPolarHBondContact O-CG2 3.49Å; W233-T235 PolarHBondContact O-N 3.49Å; T235-L237 PolarHBondContact O-N 2.91Å; T235-L237 VanDerWaalsContact O-N 3.1Å; T235-L237 PolarHBondContact OG1-N 2.93Å; T235-H238 PolarHBondContact N-ND1 3.5Å; T235-H238 WeakPolarHBondContact O-CB 3.38Å; T235-H238 PolarHBondContact O-N 3.07Å; T235-H238 PolarHBondContact OG1-N 3.32Å; T235-H238 PolarHBondContact OG1-ND1 3.1Å; T235-A239 PolarHBondContact O-N 2.78Å; T235-A261 HydrophobicContact CG2-CB 3.91Å
236P97.8Very high94.8Very high0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-53.6-30.5172.2-2735.8000113.4L205 V227 A240 L252L205-P236 HydrophobicContact CD2-CB 4.24Å; L205-P236 HydrophobicContact CD2-CG 3.89Å; L205-P236 HydrophobicContact CG-CB 4.13Å; L205-P236 HydrophobicContact CG-CG 4.03Å; V227-P236 VanDerWaalsContact O-CD 3.29Å; V227-P236 WeakPolarHBondContact O-CD 3.23Å; V227-P236 WeakPolarHBondContact O-CG 3.41Å; P236-A240 WeakPolarHBondContact O-CB 3.24Å; P236-A240 PolarHBondContact O-N 3.36Å; P236-L252 HydrophobicContact CB-CD1 4.39Å; P236-L252 HydrophobicContact CB-CD2 4.12Å
237L97.6Very high94.9Very high0 Ų049.6 Ų49.60%024%0.235CC..Hα-helixtrans-70.5-34.7175.8-170.463.8000112.7T235 A241 V249 L252 L253 A257 T259 P269 L283T235-L237 PolarHBondContact O-N 2.91Å; T235-L237 VanDerWaalsContact O-N 3.1Å; T235-L237 PolarHBondContact OG1-N 2.93Å; L237-A241 WeakPolarHBondContact O-CB 3.33Å; L237-A241 PolarHBondContact O-N 3.32Å; L237-V249 HydrophobicContact CD1-CG1 4.12Å; L237-L252 HydrophobicContact CB-CD1 4.5Å; L237-L252 HydrophobicContact CD1-CB 4.14Å; L237-L252 HydrophobicContact CD1-CD1 4.18Å; L237-L253 HydrophobicContact CD1-CD2 4.37Å; L237-L253 HydrophobicContact CD1-CG 4.4Å; L237-L253 HydrophobicContact CD2-CD2 3.97Å; L237-A257 HydrophobicContact CB-CB 4.07Å; L237-A257 HydrophobicContact CD1-CB 4.38Å; L237-A257 HydrophobicContact CD2-CB 3.82Å; L237-A257 HydrophobicContact CG-CB 4.31Å; L237-T259 HydrophobicContact CD2-CG2 4.21Å; L237-P269 HydrophobicContact CB-CB 4.47Å; L237-P269 HydrophobicContact CB-CG 4.28Å; L237-P269 HydrophobicContact CD2-CB 3.98Å; L237-P269 HydrophobicContact CD2-CG 3.85Å; L237-P269 HydrophobicContact CG-CB 3.82Å; L237-P269 HydrophobicContact CG-CG 3.99Å; L237-L283 HydrophobicContact CD1-CD2 4.34Å; L237-L283 HydrophobicContact CD2-CD2 4.31Å
238H97.1Very high94.9Very high0 Ų049 Ų490%023%0.231CC..Hα-helixtrans-63.9-48.3172.1-69.787.8000110.9D234 T235 A240 A241 Q242 A261 L267 P269 V272D234-H238 WeakPolarHBondContact OD1-CB 3.48Å; D234-H238 IonicContact OD1-CD2 2.75Å; D234-H238 IonicContact OD1-CG 3.25Å; T235-H238 PolarHBondContact N-ND1 3.5Å; T235-H238 WeakPolarHBondContact O-CB 3.38Å; T235-H238 PolarHBondContact O-N 3.07Å; T235-H238 PolarHBondContact OG1-N 3.32Å; T235-H238 PolarHBondContact OG1-ND1 3.1Å; H238-A240 VanDerWaalsContact C-N 3.33Å; H238-A240 PolarHBondContact O-N 3.12Å; H238-A241 PolarHBondContact O-N 3.05Å; H238-A241 VanDerWaalsContact O-N 3.12Å; H238-Q242 WeakPolarHBondContact O-CG 3.4Å; H238-Q242 PolarHBondContact O-N 3.47Å; H238-Q242 VanDerWaalsContact O-N 3.08Å; H238-A261 PolarHBondContact CE1-O 3.27Å; H238-A261 PolarHBondContact NE2-O 2.99Å; H238-L267 PolarHBondContact NE2-O 2.97Å; H238-P269 WeakPolarHBondContact NE2-CD 3.29Å; H238-V272 HydrophobicContact CB-CG2 4.31Å
239A96Very high95Very high0 Ų045.7 Ų45.70%022%0.216CC..Hα-helixtrans-56.2-45.6175.800000112.2Y206 C209 M210 T235 Q243Y206-A239 HydrophobicContact CD2-CB 3.93Å; Y206-A239 HydrophobicContact CE2-CB 3.63Å; C209-A239 HydrophobicContact CB-CB 4.02Å; M210-A239 HydrophobicContact CG-CB 3.8Å; M210-A239 HydrophobicContact SD-CB 3.41Å; M210-A239 WeakPolarHBondContact SD-CB 3.39Å; T235-A239 PolarHBondContact O-N 2.78Å; A239-Q243 WeakPolarHBondContact O-CG 3.38Å
240A96.2Very high95Very high1 Ų143.8 Ų43.81%0.00821%0.211CC..Hα-helixtrans-68-35.2176.900000112.7P236 H238 Q243 I248 V249 L252P236-A240 WeakPolarHBondContact O-CB 3.24Å; P236-A240 PolarHBondContact O-N 3.36Å; H238-A240 VanDerWaalsContact C-N 3.33Å; H238-A240 PolarHBondContact O-N 3.12Å; A240-Q243 WeakPolarHBondContact O-CB 3.36Å; A240-Q243 PolarHBondContact O-N 3.21Å; A240-Q243 VanDerWaalsContact O-N 3.13Å; A240-I248 HydrophobicContact CB-CG2 3.71Å; A240-V249 HydrophobicContact CB-CG2 3.96Å; A240-L252 HydrophobicContact CB-CD1 3.6Å
241A95.3Very high95.1Very high0 Ų044.1 Ų44.10%021%0.212CC..Hα-helixtrans-70.1-32.5-178.300000113.4L237 H238 Q243 P269 V272 A273 V279 L283L237-A241 WeakPolarHBondContact O-CB 3.33Å; L237-A241 PolarHBondContact O-N 3.32Å; H238-A241 PolarHBondContact O-N 3.05Å; H238-A241 VanDerWaalsContact O-N 3.12Å; A241-Q243 PolarHBondContact O-N 2.91Å; A241-P269 HydrophobicContact CB-CB 4.26Å; A241-P269 WeakPolarHBondContact CB-O 3.46Å; A241-V272 HydrophobicContact CB-CG2 4.04Å; A241-A273 HydrophobicContact CB-CB 4.32Å; A241-A273 VanDerWaalsContact O-CA 3.32Å; A241-A273 WeakPolarHBondContact O-CA 3.42Å; A241-V279 HydrophobicContact CB-CG1 4.32Å; A241-L283 HydrophobicContact CB-CD1 4.02Å
242Q93.3Very high95.2Very high78 Ų7841 Ų4136%0.36420%0.198SC..THydrogen-bonded Turntrans-63.4-17.7171.5-71.6176.9-600112.9H238 V272H238-Q242 WeakPolarHBondContact O-CG 3.4Å; H238-Q242 PolarHBondContact O-N 3.47Å; H238-Q242 VanDerWaalsContact O-N 3.08Å; Q242-V272 HydrophobicContact CG-CB 3.91Å; Q242-V272 HydrophobicContact CG-CG2 3.99Å
243Q91.4Very high95.3Very high64 Ų6433.7 Ų33.730%0.29917%0.17SC..SBendtrans-103.8178.2-178.1-54.5-65.4-16.400111Q212 A239 A240 A241Q212-Q243 HydrophobicContact CG-CB 4.15Å; Q212-Q243 HydrophobicContact CG-CG 4.15Å; Q212-Q243 VanDerWaalsContact NE2-CG 3.31Å; A239-Q243 WeakPolarHBondContact O-CG 3.38Å; A240-Q243 WeakPolarHBondContact O-CB 3.36Å; A240-Q243 PolarHBondContact O-N 3.21Å; A240-Q243 VanDerWaalsContact O-N 3.13Å; A241-Q243 PolarHBondContact O-N 2.91Å
244S86.1Confident95.3Very high106 Ų10628.7 Ų28.774%0.74115%0.154SC*.SBendtrans-100.1-7.1-173.959.10000115.3T246S244-T246 PolarHBondContact O-N 3.29Å
245S92.7Very high95.3Very high21 Ų2128.7 Ų28.715%0.14715%0.153CC..  trans-77.2109.4-177.5179.80000112.5E247 I248 V249S245-E247 VanDerWaalsContact C-N 3.29Å; S245-E247 PolarHBondContact O-N 3.24Å; S245-E247 PolarHBondContact OG-N 3.32Å; S245-E247 PolarHBondContact OG-OE2 2.85Å; S245-I248 PolarHBondContact OG-N 2.93Å; S245-V249 WeakPolarHBondContact O-CG2 3.29Å; S245-V249 PolarHBondContact O-N 3.37Å
246T95.1Very high95.1Very high28 Ų2828.6 Ų28.617%0.17216%0.155CC..Hα-helixtrans-69.7-28173.563.50000112.8S244 V249 N250 M278 V279 I282S244-T246 PolarHBondContact O-N 3.29Å; T246-V249 PolarHBondContact O-N 3.42Å; T246-N250 WeakPolarHBondContact O-CB 3.21Å; T246-N250 PolarHBondContact O-N 2.99Å; T246-N250 PolarHBondContact O-ND2 3.3Å; T246-M278 HydrophobicContact CG2-CB 3.7Å; T246-M278 HydrophobicContact CG2-CG 3.56Å; T246-V279 HydrophobicContact CG2-CG2 4Å; T246-I282 HydrophobicContact CG2-CD1 3.65Å
247E96.4Very high95Very high109 Ų10928.6 Ų28.651%0.50916%0.155SC..Hα-helixtrans-64.9-45.4-179.4-60.876.8-169.900110.6F214 S245 L251F214-E247 HydrophobicContact CD2-CB 4.19Å; F214-E247 HydrophobicContact CE2-CB 4.12Å; S245-E247 VanDerWaalsContact C-N 3.29Å; S245-E247 PolarHBondContact O-N 3.24Å; S245-E247 PolarHBondContact OG-N 3.32Å; S245-E247 PolarHBondContact OG-OE2 2.85Å; E247-L251 WeakPolarHBondContact O-CB 3.35Å; E247-L251 PolarHBondContact O-N 3.26Å
248I97.2Very high94.8Very high1 Ų131.3 Ų31.31%0.00517%0.169CC..Hα-helixtrans-64.6-44.9177.1-66.8172.9000110.5Q212 F214 I217 A240 S245 L251 L252Q212-I248 HydrophobicContact CB-CD1 4.17Å; F214-I248 HydrophobicContact CB-CG1 4.44Å; F214-I248 HydrophobicContact CD2-CG1 4.1Å; I217-I248 HydrophobicContact CD1-CB 4.34Å; I217-I248 HydrophobicContact CD1-CD1 3.62Å; I217-I248 HydrophobicContact CD1-CG1 3.79Å; I217-I248 HydrophobicContact CD1-CG2 3.64Å; A240-I248 HydrophobicContact CB-CG2 3.71Å; S245-I248 PolarHBondContact OG-N 2.93Å; I248-L251 PolarHBondContact O-N 3.44Å; I248-L252 HydrophobicContact CG2-CD1 3.98Å; I248-L252 HydrophobicContact CG2-CG 4.37Å; I248-L252 WeakPolarHBondContact O-CG 3.44Å; I248-L252 PolarHBondContact O-N 3.12Å
249V96.9Very high94.7Very high0 Ų032.1 Ų32.10%017%0.174CC..Hα-helixtrans-61.1-48.7178.9172.10000110.9L237 A240 S245 T246 L251 L252 L253 V279 I282 L283L237-V249 HydrophobicContact CD1-CG1 4.12Å; A240-V249 HydrophobicContact CB-CG2 3.96Å; S245-V249 WeakPolarHBondContact O-CG2 3.29Å; S245-V249 PolarHBondContact O-N 3.37Å; T246-V249 PolarHBondContact O-N 3.42Å; V249-L251 VanDerWaalsContact C-N 3.3Å; V249-L251 PolarHBondContact O-N 3.17Å; V249-L252 PolarHBondContact O-N 3.45Å; V249-L253 HydrophobicContact CG1-CD1 3.8Å; V249-L253 HydrophobicContact CG1-CG 4.39Å; V249-L253 WeakPolarHBondContact O-CB 3.47Å; V249-L253 VanDerWaalsContact O-CG 3.22Å; V249-L253 WeakPolarHBondContact O-CG 3.3Å; V249-L253 PolarHBondContact O-N 2.94Å; V249-V279 HydrophobicContact CG2-CG1 3.87Å; V249-V279 HydrophobicContact CG2-CG2 4.24Å; V249-I282 HydrophobicContact CG1-CG2 4.22Å; V249-L283 HydrophobicContact CG1-CD2 4.01Å; V249-L283 HydrophobicContact CG1-CG 4.37Å
250N95.5Very high94.6Very high69 Ų6936.3 Ų36.337%0.36920%0.196SC..Hα-helixtrans-58.8-42.8176.7-77.9-42.7000111.7T246 L253 E254 I282T246-N250 WeakPolarHBondContact O-CB 3.21Å; T246-N250 PolarHBondContact O-N 2.99Å; T246-N250 PolarHBondContact O-ND2 3.3Å; N250-L253 PolarHBondContact O-N 2.99Å; N250-E254 WeakPolarHBondContact O-CB 3.26Å; N250-E254 PolarHBondContact O-N 3.13Å; N250-I282 WeakPolarHBondContact OD1-CG2 3.32Å
251L96.9Very high94.5Very high12 Ų1237.1 Ų37.16%0.06320%0.203CC..Hα-helixtrans-61.9-47.8177.3-178.463.8000111.5F214 I217 W218 L221 E247 I248 V249 L253 E254 F255F214-L251 HydrophobicContact CD2-CD2 4.39Å; F214-L251 HydrophobicContact CE2-CD2 3.89Å; F214-L251 HydrophobicContact CZ-CD2 4.33Å; I217-L251 HydrophobicContact CG2-CD2 3.87Å; W218-L251 HydrophobicContact CB-CD2 4.17Å; L221-L251 HydrophobicContact CD1-CD1 4.44Å; L221-L251 HydrophobicContact CD1-CD2 3.99Å; L221-L251 HydrophobicContact CD1-CG 3.74Å; E247-L251 WeakPolarHBondContact O-CB 3.35Å; E247-L251 PolarHBondContact O-N 3.26Å; I248-L251 PolarHBondContact O-N 3.44Å; V249-L251 VanDerWaalsContact C-N 3.3Å; V249-L251 PolarHBondContact O-N 3.17Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.37Å; L251-E254 WeakPolarHBondContact O-CB 3.32Å; L251-E254 PolarHBondContact O-N 3.23Å; L251-E254 VanDerWaalsContact O-N 3.13Å; L251-F255 HydrophobicContact CD1-CD2 3.94Å; L251-F255 HydrophobicContact CD1-CE2 3.7Å; L251-F255 HydrophobicContact CG-CD2 4.42Å; L251-F255 WeakPolarHBondContact O-CD2 3.26Å; L251-F255 PolarHBondContact O-N 3.25Å
252L97.2Very high94.6Very high0 Ų042.7 Ų42.70%023%0.228CC..Hα-helixtrans-60.5-42.7177.2-68.7171.4000111.8I217 L221 V227 P236 L237 A240 I248 V249 E254 F255 G256 A257I217-L252 HydrophobicContact CG2-CD2 4.41Å; L221-L252 HydrophobicContact CD1-CD2 4.16Å; L221-L252 HydrophobicContact CD2-CD2 4.48Å; V227-L252 HydrophobicContact CG2-CB 4.21Å; V227-L252 HydrophobicContact CG2-CD2 3.7Å; P236-L252 HydrophobicContact CB-CD1 4.39Å; P236-L252 HydrophobicContact CB-CD2 4.12Å; L237-L252 HydrophobicContact CB-CD1 4.5Å; L237-L252 HydrophobicContact CD1-CB 4.14Å; L237-L252 HydrophobicContact CD1-CD1 4.18Å; A240-L252 HydrophobicContact CB-CD1 3.6Å; I248-L252 HydrophobicContact CG2-CD1 3.98Å; I248-L252 HydrophobicContact CG2-CG 4.37Å; I248-L252 WeakPolarHBondContact O-CG 3.44Å; I248-L252 PolarHBondContact O-N 3.12Å; V249-L252 PolarHBondContact O-N 3.45Å; L252-E254 VanDerWaalsContact C-N 3.3Å; L252-E254 PolarHBondContact O-N 2.92Å; L252-F255 CarbonylContact O-C 3.51Å; L252-F255 PolarHBondContact O-N 3.04Å; L252-F255 VanDerWaalsContact O-N 3.13Å; L252-G256 PolarHBondContact O-N 3.01Å; L252-G256 VanDerWaalsContact O-N 3.09Å; L252-A257 HydrophobicContact CB-CB 4.03Å; L252-A257 VanDerWaalsContact O-CB 3.27Å; L252-A257 WeakPolarHBondContact O-CB 3.08Å; L252-A257 PolarHBondContact O-N 3.3Å
253L95.1Very high94.7Very high8 Ų839.5 Ų39.54%0.04221%0.213CC..Hα-helixtrans-63.9-36175.5-66.2170.4000111.8L237 V249 N250 L251 F255 G256 T259 I282 L283 H286L237-L253 HydrophobicContact CD1-CD2 4.37Å; L237-L253 HydrophobicContact CD1-CG 4.4Å; L237-L253 HydrophobicContact CD2-CD2 3.97Å; V249-L253 HydrophobicContact CG1-CD1 3.8Å; V249-L253 HydrophobicContact CG1-CG 4.39Å; V249-L253 WeakPolarHBondContact O-CB 3.47Å; V249-L253 VanDerWaalsContact O-CG 3.22Å; V249-L253 WeakPolarHBondContact O-CG 3.3Å; V249-L253 PolarHBondContact O-N 2.94Å; N250-L253 PolarHBondContact O-N 2.99Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.37Å; L253-F255 VanDerWaalsContact C-N 3.28Å; L253-F255 PolarHBondContact O-N 3.46Å; L253-G256 WeakPolarHBondContact O-CA 3.21Å; L253-G256 PolarHBondContact O-N 3.26Å; L253-T259 HydrophobicContact CD2-CG2 3.46Å; L253-T259 VanDerWaalsContact CD2-CG2 3.46Å; L253-I282 HydrophobicContact CD1-CG2 4.09Å; L253-L283 HydrophobicContact CD1-CD2 4.3Å; L253-L283 HydrophobicContact CD2-CD2 4.49Å; L253-H286 HydrophobicContact CD1-CB 4.38Å
254E93.9Very high94.9Very high76 Ų7641 Ų4136%0.35523%0.227SC..Hα-helixtrans-65.6-30.3173.8-153-157154.600112.7N250 L251 L252 G256 Q295 R298 Y328N250-E254 WeakPolarHBondContact O-CB 3.26Å; N250-E254 PolarHBondContact O-N 3.13Å; L251-E254 WeakPolarHBondContact O-CB 3.32Å; L251-E254 PolarHBondContact O-N 3.23Å; L251-E254 VanDerWaalsContact O-N 3.13Å; L252-E254 VanDerWaalsContact C-N 3.3Å; L252-E254 PolarHBondContact O-N 2.92Å; E254-G256 VanDerWaalsContact C-N 3.27Å; E254-Q295 PolarHBondContact O-NE2 2.97Å; E254-R298 VanDerWaalsContact CG-NH2 3.26Å; E254-R298 IonicContact OE1-CZ 3.37Å; E254-R298 IonicContact OE1-NH1 3.03Å; E254-R298 PolarHBondContact OE1-NH1 3.45Å; E254-R298 IonicContact OE1-NH2 2.78Å; E254-R298 PolarHBondContact OE1-NH2 2.96Å; E254-Y328 HydrophobicContact CG-CE1 4.01Å; E254-Y328 WeakPolarHBondContact O-CE1 3.43Å; E254-Y328 PolarHBondContact O-OH 3.34Å; E254-Y328 VanDerWaalsContact OE1-CD1 3.27Å; E254-Y328 WeakPolarHBondContact OE1-CD1 3.37Å; E254-Y328 WeakPolarHBondContact OE1-CE1 3.12Å
255F95.3Very high95.3Very high18 Ų1842.6 Ų42.68%0.07922%0.222CC..THydrogen-bonded Turntrans-86.52.1171.7-81.4-96.8000113.6L221 Y222 V227 L251 L252 L253 L299 Y328L221-F255 HydrophobicContact CB-CD1 3.76Å; L221-F255 HydrophobicContact CB-CD2 4.04Å; L221-F255 HydrophobicContact CB-CE1 3.72Å; L221-F255 HydrophobicContact CB-CE2 4.01Å; L221-F255 HydrophobicContact CB-CG 3.92Å; L221-F255 HydrophobicContact CB-CZ 3.85Å; L221-F255 HydrophobicContact CD1-CB 4.31Å; L221-F255 HydrophobicContact CD1-CD2 3.78Å; L221-F255 HydrophobicContact CD1-CE2 4.28Å; L221-F255 HydrophobicContact CD1-CG 3.98Å; L221-F255 HydrophobicContact CD2-CB 3.95Å; L221-F255 HydrophobicContact CD2-CD1 4.19Å; L221-F255 HydrophobicContact CD2-CG 4Å; L221-F255 HydrophobicContact CG-CD1 4.42Å; L221-F255 HydrophobicContact CG-CD2 4.37Å; L221-F255 HydrophobicContact CG-CG 4.19Å; L221-F255 VanDerWaalsContact O-CE1 3.31Å; L221-F255 WeakPolarHBondContact O-CE1 3.49Å; Y222-F255 HydrophobicContact CD2-CE1 4.45Å; Y222-F255 HydrophobicContact CD2-CE2 4.22Å; Y222-F255 AromaticContact CD2-CZ 3.56Å; Y222-F255 HydrophobicContact CD2-CZ 3.56Å; Y222-F255 AromaticContact CE2-CE2 3.9Å; Y222-F255 HydrophobicContact CE2-CE2 3.9Å; Y222-F255 AromaticContact CE2-CZ 3.54Å; Y222-F255 HydrophobicContact CE2-CZ 3.54Å; Y222-F255 HydrophobicContact CG-CZ 4.38Å; V227-F255 HydrophobicContact CB-CB 4.4Å; V227-F255 HydrophobicContact CG2-CB 4.16Å; L251-F255 HydrophobicContact CD1-CD2 3.94Å; L251-F255 HydrophobicContact CD1-CE2 3.7Å; L251-F255 HydrophobicContact CG-CD2 4.42Å; L251-F255 WeakPolarHBondContact O-CD2 3.26Å; L251-F255 PolarHBondContact O-N 3.25Å; L252-F255 CarbonylContact O-C 3.51Å; L252-F255 PolarHBondContact O-N 3.04Å; L252-F255 VanDerWaalsContact O-N 3.13Å; L253-F255 VanDerWaalsContact C-N 3.28Å; L253-F255 PolarHBondContact O-N 3.46Å; F255-L299 WeakPolarHBondContact O-CD2 3.39Å; F255-Y328 HydrophobicContact CD1-CE1 4.34Å; F255-Y328 AromaticContact CD1-CE2 3.95Å; F255-Y328 HydrophobicContact CD1-CE2 3.95Å; F255-Y328 AromaticContact CD1-CZ 3.8Å; F255-Y328 HydrophobicContact CD2-CD1 4.39Å; F255-Y328 AromaticContact CD2-CE1 3.89Å; F255-Y328 HydrophobicContact CD2-CE1 3.89Å; F255-Y328 HydrophobicContact CE1-CD1 4.34Å; F255-Y328 AromaticContact CE1-CD2 3.73Å; F255-Y328 HydrophobicContact CE1-CD2 3.73Å; F255-Y328 HydrophobicContact CE1-CE1 4.1Å; F255-Y328 AromaticContact CE1-CE2 3.46Å; F255-Y328 HydrophobicContact CE1-CE2 3.46Å; F255-Y328 VanDerWaalsContact CE1-CE2 3.46Å; F255-Y328 HydrophobicContact CE1-CG 4.19Å; F255-Y328 AromaticContact CE1-CZ 3.68Å; F255-Y328 AromaticContact CE2-CD1 3.67Å; F255-Y328 HydrophobicContact CE2-CD1 3.67Å; F255-Y328 HydrophobicContact CE2-CD2 4.48Å; F255-Y328 AromaticContact CE2-CE1 3.62Å; F255-Y328 HydrophobicContact CE2-CE1 3.62Å; F255-Y328 HydrophobicContact CE2-CE2 4.44Å; F255-Y328 HydrophobicContact CE2-CG 4.14Å; F255-Y328 HydrophobicContact CG-CE1 4.25Å; F255-Y328 AromaticContact CZ-CD1 3.64Å; F255-Y328 HydrophobicContact CZ-CD1 3.64Å; F255-Y328 AromaticContact CZ-CD2 3.64Å; F255-Y328 HydrophobicContact CZ-CD2 3.64Å; F255-Y328 AromaticContact CZ-CE1 3.74Å; F255-Y328 HydrophobicContact CZ-CE1 3.74Å; F255-Y328 AromaticContact CZ-CE2 3.75Å; F255-Y328 HydrophobicContact CZ-CE2 3.75Å; F255-Y328 AromaticContact CZ-CG 3.62Å; F255-Y328 HydrophobicContact CZ-CG 3.62Å; F255-Y328 AromaticContact CZ-CZ 3.81Å
256G94.1Very high95.5Very high9 Ų947.6 Ų47.69%0.09325%0.247CC..THydrogen-bonded Turntrans95.817168.600000115.2L252 L253 E254 D258 R291L252-G256 PolarHBondContact O-N 3.01Å; L252-G256 VanDerWaalsContact O-N 3.09Å; L253-G256 WeakPolarHBondContact O-CA 3.21Å; L253-G256 PolarHBondContact O-N 3.26Å; E254-G256 VanDerWaalsContact C-N 3.27Å; G256-D258 PolarHBondContact O-N 3.1Å; G256-R291 VanDerWaalsContact C-NH2 3.33Å; G256-R291 PolarHBondContact O-NH1 2.93Å; G256-R291 PolarHBondContact O-NH2 3.14Å
257A95.9Very high95.6Very high0 Ų049 Ų490%025%0.253CS..  trans-47.1135.1175.900000112.5V227 L237 L252 R291V227-A257 HydrophobicContact CG1-CB 4.47Å; V227-A257 HydrophobicContact CG2-CB 3.77Å; L237-A257 HydrophobicContact CB-CB 4.07Å; L237-A257 HydrophobicContact CD1-CB 4.38Å; L237-A257 HydrophobicContact CD2-CB 3.82Å; L237-A257 HydrophobicContact CG-CB 4.31Å; L252-A257 HydrophobicContact CB-CB 4.03Å; L252-A257 VanDerWaalsContact O-CB 3.27Å; L252-A257 WeakPolarHBondContact O-CB 3.08Å; L252-A257 PolarHBondContact O-N 3.3Å; A257-R291 PolarHBondContact O-NH2 2.92Å
258D94.1Very high95.5Very high58 Ų5847.1 Ų47.131%0.3124%0.241SC..  trans-82.6118.3179.8-179.314.6000110.8Q228 G256 N260 A261Q228-D258 VanDerWaalsContact NE2-N 3.2Å; G256-D258 PolarHBondContact O-N 3.1Å; D258-N260 PolarHBondContact O-N 3.23Å; D258-N260 PolarHBondContact OD1-N 3.44Å; D258-A261 HydrophobicContact CB-CB 4.25Å; D258-A261 PolarHBondContact OD2-N 2.98Å
259T94.3Very high95.4Very high16 Ų1647 Ų4710%0.09824%0.241CC..THydrogen-bonded Turntrans-74.4-14.3178.155.70000112.9L237 L253 P269 L283L237-T259 HydrophobicContact CD2-CG2 4.21Å; L253-T259 HydrophobicContact CD2-CG2 3.46Å; L253-T259 VanDerWaalsContact CD2-CG2 3.46Å; T259-P269 WeakPolarHBondContact O-CD 3.34Å; T259-L283 HydrophobicContact CG2-CD2 4.29Å
260N93.4Very high95.4Very high88 Ų8847.8 Ų47.847%0.47125%0.245SC..THydrogen-bonded Turntrans-104.80.3-179.3-64.1-65000113.5D258D258-N260 PolarHBondContact O-N 3.23Å; D258-N260 PolarHBondContact OD1-N 3.44Å
261A95.3Very high95.3Very high18 Ų1848.2 Ų48.215%0.14925%0.247CC..  trans-56142.3174.800000109.7T235 H238 D258 R268 P269T235-A261 HydrophobicContact CG2-CB 3.91Å; H238-A261 PolarHBondContact CE1-O 3.27Å; H238-A261 PolarHBondContact NE2-O 2.99Å; D258-A261 HydrophobicContact CB-CB 4.25Å; D258-A261 PolarHBondContact OD2-N 2.98Å; A261-R268 WeakPolarHBondContact O-CA 3.42Å; A261-P269 VanDerWaalsContact O-CD 3.28Å; A261-P269 WeakPolarHBondContact O-CD 3.48Å
262K96Very high95.2Very high118 Ų11848.9 Ų48.951%0.51325%0.251SS..  trans-113.4130.6179.1-69.4-174.1178.1-172.80110.2L267 R268K262-L267 WeakPolarHBondContact CA-O 3.32Å; K262-R268 HydrophobicContact CG-CG 4.18Å
263N95.8Very high95.1Very high10 Ų1049.3 Ų49.35%0.05326%0.255CS..  trans-77.6-172.7173.673.64.3000111.8W233 D234 E265 L266 L267W233-N263 WeakPolarHBondContact O-CA 3.35Å; D234-N263 HydrophobicContact CB-CB 4.49Å; N263-E265 PolarHBondContact O-N 3.47Å; N263-E265 WeakPolarHBondContact OD1-CA 3.19Å; N263-E265 WeakPolarHBondContact OD1-CB 3.43Å; N263-E265 PolarHBondContact OD1-N 3.02Å; N263-L266 PolarHBondContact O-N 3.4Å; N263-L266 PolarHBondContact OD1-N 2.67Å; N263-L267 PolarHBondContact N-O 3.49Å; N263-L267 PolarHBondContact OD1-N 2.9Å; N263-L267 PolarHBondContact OD1-O 2.94Å
264T94.7Very high94.8Very high97 Ų9753 Ų5360%0.59528%0.278SS*.THydrogen-bonded Turntrans-60.8-24.2179.548.20000114W233 L266W233-T264 HydrophobicContact CB-CG2 3.98Å; W233-T264 HydrophobicContact CG-CG2 4.23Å; T264-L266 VanDerWaalsContact C-N 3.3Å
265E95.7Very high94.6Very high138 Ų13854.2 Ų54.265%0.64530%0.295SS*.THydrogen-bonded Turntrans-91.97177.9-58.9-176.4165.500112.2N263 L267N263-E265 PolarHBondContact O-N 3.47Å; N263-E265 WeakPolarHBondContact OD1-CA 3.19Å; N263-E265 WeakPolarHBondContact OD1-CB 3.43Å; N263-E265 PolarHBondContact OD1-N 3.02Å; E265-L267 HydrophobicContact CB-CD1 4.09Å; E265-L267 HydrophobicContact CB-CG 3.96Å; E265-L267 PolarHBondContact O-N 3.2Å; E265-L267 WeakPolarHBondContact OE2-CD1 3.43Å
266L96.1Very high94.2Very high127 Ų12758 Ų5867%0.66532%0.324SS*.SBendtrans63.415.7-175.5-52.2175.1000114.3N263 T264N263-L266 PolarHBondContact O-N 3.4Å; N263-L266 PolarHBondContact OD1-N 2.67Å; T264-L266 VanDerWaalsContact C-N 3.3Å
267L96.9Very high94.2Very high58 Ų5858.7 Ų58.730%0.30433%0.327SS..  trans-84.7143.5176.3-58.7179.3000109.8H238 K262 N263 E265 D271 V272H238-L267 PolarHBondContact NE2-O 2.97Å; K262-L267 WeakPolarHBondContact CA-O 3.32Å; N263-L267 PolarHBondContact N-O 3.49Å; N263-L267 PolarHBondContact OD1-N 2.9Å; N263-L267 PolarHBondContact OD1-O 2.94Å; E265-L267 HydrophobicContact CB-CD1 4.09Å; E265-L267 HydrophobicContact CB-CG 3.96Å; E265-L267 PolarHBondContact O-N 3.2Å; E265-L267 WeakPolarHBondContact OE2-CD1 3.43Å; L267-D271 HydrophobicContact CB-CB 4.16Å; L267-D271 HydrophobicContact CD2-CB 4.18Å; L267-V272 HydrophobicContact CB-CG1 3.91Å; L267-V272 HydrophobicContact CD1-CG1 3.9Å
268R95.8Very high94.1Very high68 Ų6864.1 Ų64.126%0.25735%0.354SS..  trans-87.3166170.3-61.3176.2-65.1153.58.8110.5A261 K262 I270 D271 V272 E287A261-R268 WeakPolarHBondContact O-CA 3.42Å; K262-R268 HydrophobicContact CG-CG 4.18Å; R268-I270 HydrophobicContact CB-CG2 4.07Å; R268-I270 PolarHBondContact O-N 2.75Å; R268-I270 VanDerWaalsContact O-N 3.15Å; R268-D271 VanDerWaalsContact CB-OD2 3.27Å; R268-D271 WeakPolarHBondContact CB-OD2 3.48Å; R268-D271 PolarHBondContact N-OD2 2.83Å; R268-D271 IonicContact NE-OD1 4Å; R268-D271 IonicContact NE-OD2 2.87Å; R268-D271 PolarHBondContact NE-OD2 3.31Å; R268-D271 IonicContact NH2-OD1 3.71Å; R268-D271 PolarHBondContact NH2-OD1 3.43Å; R268-D271 IonicContact NH2-OD2 3.75Å; R268-D271 WeakPolarHBondContact O-CB 3.36Å; R268-D271 PolarHBondContact O-N 3.43Å; R268-V272 PolarHBondContact O-N 3.25Å; R268-E287 IonicContact CZ-OE1 3.43Å; R268-E287 IonicContact NH1-OE1 2.86Å; R268-E287 PolarHBondContact NH1-OE1 3.47Å; R268-E287 IonicContact NH1-OE2 3.54Å
269P95.4Very high94.1Very high0 Ų061.4 Ų61.40%034%0.339CS..THydrogen-bonded Turntrans-53.5-36.5175.6-28.634.4000114L237 H238 A241 T259 A261 V272 A273 L283L237-P269 HydrophobicContact CB-CB 4.47Å; L237-P269 HydrophobicContact CB-CG 4.28Å; L237-P269 HydrophobicContact CD2-CB 3.98Å; L237-P269 HydrophobicContact CD2-CG 3.85Å; L237-P269 HydrophobicContact CG-CB 3.82Å; L237-P269 HydrophobicContact CG-CG 3.99Å; H238-P269 WeakPolarHBondContact NE2-CD 3.29Å; A241-P269 HydrophobicContact CB-CB 4.26Å; A241-P269 WeakPolarHBondContact CB-O 3.46Å; T259-P269 WeakPolarHBondContact O-CD 3.34Å; A261-P269 VanDerWaalsContact O-CD 3.28Å; A261-P269 WeakPolarHBondContact O-CD 3.48Å; P269-V272 WeakPolarHBondContact O-CG2 3.49Å; P269-A273 PolarHBondContact O-N 2.86Å; P269-L283 HydrophobicContact CB-CD1 4.44Å
270I95.1Very high94.1Very high15 Ų1563.2 Ų63.28%0.07735%0.347CS..THydrogen-bonded Turntrans-67.2-36.3176-175.3174.4000112.6R268 V272 A273 E280 L283 L284R268-I270 HydrophobicContact CB-CG2 4.07Å; R268-I270 PolarHBondContact O-N 2.75Å; R268-I270 VanDerWaalsContact O-N 3.15Å; I270-V272 VanDerWaalsContact C-N 3.27Å; I270-V272 PolarHBondContact O-N 3.25Å; I270-A273 VanDerWaalsContact O-CB 3.3Å; I270-A273 WeakPolarHBondContact O-CB 3.29Å; I270-A273 PolarHBondContact O-N 3.37Å; I270-A273 VanDerWaalsContact O-N 3.13Å; I270-E280 HydrophobicContact CG1-CG 4.26Å; I270-L283 HydrophobicContact CB-CB 4.23Å; I270-L283 HydrophobicContact CB-CD1 4.24Å; I270-L283 HydrophobicContact CG1-CB 4.38Å; I270-L284 HydrophobicContact CD1-CB 4.48Å; I270-L284 HydrophobicContact CD1-CD1 4.39Å; I270-L284 HydrophobicContact CD1-CD2 3.23Å; I270-L284 HydrophobicContact CD1-CG 3.41Å; I270-L284 VanDerWaalsContact CD1-CG 3.41Å
271D94.7Very high94.1Very high79 Ų7966.6 Ų66.642%0.42235%0.353SS..THydrogen-bonded Turntrans-72.9-24.7-175.6-52.2-40.4000111.2L267 R268L267-D271 HydrophobicContact CB-CB 4.16Å; L267-D271 HydrophobicContact CD2-CB 4.18Å; R268-D271 VanDerWaalsContact CB-OD2 3.27Å; R268-D271 WeakPolarHBondContact CB-OD2 3.48Å; R268-D271 PolarHBondContact N-OD2 2.83Å; R268-D271 IonicContact NE-OD1 4Å; R268-D271 IonicContact NE-OD2 2.87Å; R268-D271 PolarHBondContact NE-OD2 3.31Å; R268-D271 IonicContact NH2-OD1 3.71Å; R268-D271 PolarHBondContact NH2-OD1 3.43Å; R268-D271 IonicContact NH2-OD2 3.75Å; R268-D271 WeakPolarHBondContact O-CB 3.36Å; R268-D271 PolarHBondContact O-N 3.43Å
272V94.8Very high94Very high25 Ų2566.4 Ų66.415%0.15235%0.349CS..THydrogen-bonded Turntrans-88.2-8.2172.6-590000113.3H238 A241 Q242 L267 R268 P269 I270H238-V272 HydrophobicContact CB-CG2 4.31Å; A241-V272 HydrophobicContact CB-CG2 4.04Å; Q242-V272 HydrophobicContact CG-CB 3.91Å; Q242-V272 HydrophobicContact CG-CG2 3.99Å; L267-V272 HydrophobicContact CB-CG1 3.91Å; L267-V272 HydrophobicContact CD1-CG1 3.9Å; R268-V272 PolarHBondContact O-N 3.25Å; P269-V272 WeakPolarHBondContact O-CG2 3.49Å; I270-V272 VanDerWaalsContact C-N 3.27Å; I270-V272 PolarHBondContact O-N 3.25Å
273A94.1Very high93.9Very high10 Ų1060.8 Ų60.88%0.08333%0.325CS..SBendtrans-70.1146.2-179.900000111.4A241 P269 I270 S275 V279 E280 L283A241-A273 HydrophobicContact CB-CB 4.32Å; A241-A273 VanDerWaalsContact O-CA 3.32Å; A241-A273 WeakPolarHBondContact O-CA 3.42Å; P269-A273 PolarHBondContact O-N 2.86Å; I270-A273 VanDerWaalsContact O-CB 3.3Å; I270-A273 WeakPolarHBondContact O-CB 3.29Å; I270-A273 PolarHBondContact O-N 3.37Å; I270-A273 VanDerWaalsContact O-N 3.13Å; A273-S275 PolarHBondContact O-N 3.11Å; A273-V279 HydrophobicContact CB-CG1 4.33Å; A273-E280 HydrophobicContact CB-CB 4.25Å; A273-L283 HydrophobicContact CB-CD1 4.37Å
274T90Very high93.8Very high86 Ų8664.3 Ų64.353%0.52834%0.343SS..PPolyproline II helixtrans-62.3128.3176.1-59.60000109.7S277T274-S277 WeakPolarHBondContact O-CB 3.46Å; T274-S277 PolarHBondContact O-N 3.3Å; T274-S277 VanDerWaalsContact O-N 3.1Å; T274-S277 PolarHBondContact O-OG 3.33Å
275S88.4Confident93.6Very high100 Ų10065.7 Ų65.770%0.69934%0.343SS*.THydrogen-bonded Turntrans-59.1139-177.5-48.60000112.2A273 S277A273-S275 PolarHBondContact O-N 3.11Å; S275-S277 PolarHBondContact O-N 2.95Å
276S87.6Confident93.3Very high98 Ų9862.6 Ų62.669%0.68533%0.328SS*.THydrogen-bonded Turntrans60.615.5-174.3-58.30000115.5E280S276-E280 WeakPolarHBondContact CA-OE2 3.44Å; S276-E280 PolarHBondContact N-OE2 3.26Å
277S93.7Very high92.9Very high23 Ų2359.7 Ų59.716%0.16131%0.311CS..  trans-74.9160175.168.60000112.3T274 S275 V279 E280 R281T274-S277 WeakPolarHBondContact O-CB 3.46Å; T274-S277 PolarHBondContact O-N 3.3Å; T274-S277 VanDerWaalsContact O-N 3.1Å; T274-S277 PolarHBondContact O-OG 3.33Å; S275-S277 PolarHBondContact O-N 2.95Å; S277-V279 PolarHBondContact O-N 2.63Å; S277-E280 PolarHBondContact O-N 3.42Å; S277-E280 PolarHBondContact OG-N 2.86Å; S277-E280 VanDerWaalsContact OG-N 3.12Å; S277-R281 PolarHBondContact O-N 3.37Å
278M93.6Very high92.4Very high115 Ų11560.9 Ų60.957%0.56733%0.329SS*.Hα-helixtrans-64.6-30.5171.8-170.863.1170.100111.6T246 R281 I282T246-M278 HydrophobicContact CG2-CB 3.7Å; T246-M278 HydrophobicContact CG2-CG 3.56Å; M278-R281 PolarHBondContact O-N 3.37Å; M278-I282 HydrophobicContact CG-CD1 4.17Å; M278-I282 WeakPolarHBondContact O-CG1 3.35Å; M278-I282 PolarHBondContact O-N 3.29Å
279V94.5Very high92Very high1 Ų161 Ų611%0.00634%0.338CS..Hα-helixtrans-62.4-48175.7170.30000111.2A241 T246 V249 A273 S277 R281 I282 L283A241-V279 HydrophobicContact CB-CG1 4.32Å; T246-V279 HydrophobicContact CG2-CG2 4Å; V249-V279 HydrophobicContact CG2-CG1 3.87Å; V249-V279 HydrophobicContact CG2-CG2 4.24Å; A273-V279 HydrophobicContact CB-CG1 4.33Å; S277-V279 PolarHBondContact O-N 2.63Å; V279-R281 VanDerWaalsContact C-N 3.29Å; V279-R281 PolarHBondContact O-N 3.33Å; V279-I282 PolarHBondContact O-N 3.05Å; V279-L283 HydrophobicContact CG1-CD1 4Å; V279-L283 HydrophobicContact CG1-CG 4.47Å; V279-L283 WeakPolarHBondContact O-CG 3.33Å; V279-L283 PolarHBondContact O-N 2.61Å
280E94.4Very high91.4Very high53 Ų5366.9 Ų66.925%0.24838%0.376CS..Hα-helixtrans-56.2-44.9175.2-176.3-172.6-165.700111.1I270 A273 S276 S277 I282 L283 L284I270-E280 HydrophobicContact CG1-CG 4.26Å; A273-E280 HydrophobicContact CB-CB 4.25Å; S276-E280 WeakPolarHBondContact CA-OE2 3.44Å; S276-E280 PolarHBondContact N-OE2 3.26Å; S277-E280 PolarHBondContact O-N 3.42Å; S277-E280 PolarHBondContact OG-N 2.86Å; S277-E280 VanDerWaalsContact OG-N 3.12Å; E280-I282 PolarHBondContact O-N 3.08Å; E280-L283 PolarHBondContact O-N 3.42Å; E280-L284 HydrophobicContact CG-CD1 4.23Å; E280-L284 WeakPolarHBondContact O-CG 3.36Å; E280-L284 PolarHBondContact O-N 3.08Å
281R93.4Very high91.1Very high160 Ų16070.5 Ų70.560%0.60439%0.389SS*.Hα-helixtrans-61.7-41.7177.8-66.5178.6-176.9-179.31.3112.7S277 M278 V279 Q285S277-R281 PolarHBondContact O-N 3.37Å; M278-R281 PolarHBondContact O-N 3.37Å; V279-R281 VanDerWaalsContact C-N 3.29Å; V279-R281 PolarHBondContact O-N 3.33Å; R281-Q285 WeakPolarHBondContact O-CB 3.42Å; R281-Q285 PolarHBondContact O-N 3.37Å
282I94Very high90.9Very high13 Ų1368.6 Ų68.67%0.06738%0.382CS..Hα-helixtrans-64.7-44.6177.4-72167.6000110.4T246 V249 N250 L253 M278 V279 E280 Q285 H286T246-I282 HydrophobicContact CG2-CD1 3.65Å; V249-I282 HydrophobicContact CG1-CG2 4.22Å; N250-I282 WeakPolarHBondContact OD1-CG2 3.32Å; L253-I282 HydrophobicContact CD1-CG2 4.09Å; M278-I282 HydrophobicContact CG-CD1 4.17Å; M278-I282 WeakPolarHBondContact O-CG1 3.35Å; M278-I282 PolarHBondContact O-N 3.29Å; V279-I282 PolarHBondContact O-N 3.05Å; E280-I282 PolarHBondContact O-N 3.08Å; I282-Q285 PolarHBondContact O-N 3.16Å; I282-H286 PolarHBondContact O-CD2 3.44Å; I282-H286 PolarHBondContact O-N 3.4Å
283L93.5Very high90.9Very high1 Ų173.8 Ų73.81%0.00541%0.408CS..Hα-helixtrans-62.8-45.3178-68.7172.5000111.4L237 A241 V249 L253 T259 P269 I270 A273 V279 E280 Q285 H286 E287L237-L283 HydrophobicContact CD1-CD2 4.34Å; L237-L283 HydrophobicContact CD2-CD2 4.31Å; A241-L283 HydrophobicContact CB-CD1 4.02Å; V249-L283 HydrophobicContact CG1-CD2 4.01Å; V249-L283 HydrophobicContact CG1-CG 4.37Å; L253-L283 HydrophobicContact CD1-CD2 4.3Å; L253-L283 HydrophobicContact CD2-CD2 4.49Å; T259-L283 HydrophobicContact CG2-CD2 4.29Å; P269-L283 HydrophobicContact CB-CD1 4.44Å; I270-L283 HydrophobicContact CB-CB 4.23Å; I270-L283 HydrophobicContact CB-CD1 4.24Å; I270-L283 HydrophobicContact CG1-CB 4.38Å; A273-L283 HydrophobicContact CB-CD1 4.37Å; V279-L283 HydrophobicContact CG1-CD1 4Å; V279-L283 HydrophobicContact CG1-CG 4.47Å; V279-L283 WeakPolarHBondContact O-CG 3.33Å; V279-L283 PolarHBondContact O-N 2.61Å; E280-L283 PolarHBondContact O-N 3.42Å; L283-Q285 VanDerWaalsContact C-N 3.33Å; L283-Q285 PolarHBondContact O-N 3.27Å; L283-H286 PolarHBondContact O-N 3.01Å; L283-E287 PolarHBondContact O-N 2.98Å
284L92.8Very high90.8Very high83 Ų8380.5 Ų80.544%0.43543%0.432SS..Hα-helixtrans-58.8-43.2173.6-76171.6000112.4I270 E280 H286 E287 A288I270-L284 HydrophobicContact CD1-CB 4.48Å; I270-L284 HydrophobicContact CD1-CD1 4.39Å; I270-L284 HydrophobicContact CD1-CD2 3.23Å; I270-L284 HydrophobicContact CD1-CG 3.41Å; I270-L284 VanDerWaalsContact CD1-CG 3.41Å; E280-L284 HydrophobicContact CG-CD1 4.23Å; E280-L284 WeakPolarHBondContact O-CG 3.36Å; E280-L284 PolarHBondContact O-N 3.08Å; L284-H286 VanDerWaalsContact C-N 3.32Å; L284-H286 PolarHBondContact O-N 3.23Å; L284-E287 PolarHBondContact O-N 3.08Å; L284-A288 WeakPolarHBondContact O-CB 3.3Å; L284-A288 PolarHBondContact O-N 3.04Å
285Q91.3Very high91Very high126 Ų12677.1 Ų77.159%0.58941%0.41SS*.Hα-helixtrans-63.1-41177.9-176.11740.900111.3R281 I282 L283 A288 T289R281-Q285 WeakPolarHBondContact O-CB 3.42Å; R281-Q285 PolarHBondContact O-N 3.37Å; I282-Q285 PolarHBondContact O-N 3.16Å; L283-Q285 VanDerWaalsContact C-N 3.33Å; L283-Q285 PolarHBondContact O-N 3.27Å; Q285-A288 PolarHBondContact O-N 3.01Å; Q285-T289 WeakPolarHBondContact O-CB 3.43Å; Q285-T289 WeakPolarHBondContact O-CG2 3.15Å; Q285-T289 PolarHBondContact O-N 3.41Å; Q285-T289 PolarHBondContact O-OG1 2.78Å
286H89Confident91.3Very high73 Ų7376.4 Ų76.434%0.33840%0.398SS..Hα-helixtrans-70.8-27.8176.2-91-84.5000113.7L253 I282 L283 L284L253-H286 HydrophobicContact CD1-CB 4.38Å; I282-H286 PolarHBondContact O-CD2 3.44Å; I282-H286 PolarHBondContact O-N 3.4Å; L283-H286 PolarHBondContact O-N 3.01Å; L284-H286 VanDerWaalsContact C-N 3.32Å; L284-H286 PolarHBondContact O-N 3.23Å
287E86.9Confident91.6Very high66 Ų6674.4 Ų74.431%0.30838%0.384SS..Hα-helixtrans-71.4-40.7170.3-74.6-170.5162.400111.8R268 L283 L284 T289R268-E287 IonicContact CZ-OE1 3.43Å; R268-E287 IonicContact NH1-OE1 2.86Å; R268-E287 PolarHBondContact NH1-OE1 3.47Å; R268-E287 IonicContact NH1-OE2 3.54Å; L283-E287 PolarHBondContact O-N 2.98Å; L284-E287 PolarHBondContact O-N 3.08Å; E287-T289 VanDerWaalsContact C-N 3.34Å
288A87.9Confident91.7Very high83 Ų8373.9 Ų73.969%0.68638%0.378SS*.Hα-helixtrans-73.8-24.8-179.300000113.3L284 Q285L284-A288 WeakPolarHBondContact O-CB 3.3Å; L284-A288 PolarHBondContact O-N 3.04Å; Q285-A288 PolarHBondContact O-N 3.01Å
289T86.6Confident91.7Very high70 Ų7070 Ų7043%0.42936%0.36SS..SBendtrans-109.9118.7-176.357.80000111.4Q285 E287Q285-T289 WeakPolarHBondContact O-CB 3.43Å; Q285-T289 WeakPolarHBondContact O-CG2 3.15Å; Q285-T289 PolarHBondContact O-N 3.41Å; Q285-T289 PolarHBondContact O-OG1 2.78Å; E287-T289 VanDerWaalsContact C-N 3.34Å
290P83Confident91.6Very high125 Ų12572.8 Ų72.881%0.81238%0.378SS*.PPolyproline II helixtrans-62.9144175.526.7-33.1000110S292P290-S292 PolarHBondContact O-N 2.84Å
291R88Confident91.6Very high90 Ų9073.3 Ų73.334%0.3438%0.382SS..PPolyproline II helixtrans-55.7138.6174-67179.6-177.3173.5-0.7109.6G256 A257 L296G256-R291 VanDerWaalsContact C-NH2 3.33Å; G256-R291 PolarHBondContact O-NH1 2.93Å; G256-R291 PolarHBondContact O-NH2 3.14Å; A257-R291 PolarHBondContact O-NH2 2.92Å; R291-L296 HydrophobicContact CB-CD2 3.91Å; R291-L296 HydrophobicContact CB-CG 4.05Å
292S91.7Very high91.6Very high40 Ų4067.2 Ų67.228%0.2836%0.359SS..PPolyproline II helixtrans-60.4150.8175.864.60000111.3P290 Y294 Q295 L296P290-S292 PolarHBondContact O-N 2.84Å; S292-Y294 VanDerWaalsContact C-N 3.28Å; S292-Y294 PolarHBondContact O-N 3.31Å; S292-Y294 VanDerWaalsContact OG-CD1 3.25Å; S292-Y294 WeakPolarHBondContact OG-CD1 3.23Å; S292-Y294 WeakPolarHBondContact OG-CE1 3.25Å; S292-Y294 WeakPolarHBondContact OG-CE2 3.3Å; S292-Q295 WeakPolarHBondContact O-CB 3.45Å; S292-Q295 PolarHBondContact O-N 2.99Å; S292-Q295 VanDerWaalsContact OG-CB 3.27Å; S292-Q295 WeakPolarHBondContact OG-CB 3.39Å; S292-Q295 PolarHBondContact OG-N 2.86Å; S292-L296 PolarHBondContact O-N 3.13Å
293L93.9Very high91.5Very high133 Ų13370.6 Ų70.670%0.69638%0.384SS*.Hα-helixtrans-57.5-41.8-179.9-179.562.3000111.9Q295 L296 C297L293-Q295 PolarHBondContact O-N 2.92Å; L293-L296 PolarHBondContact O-N 2.98Å; L293-C297 PolarHBondContact O-N 3.18Å; L293-C297 PolarHBondContact O-SG 3Å
294Y93.5Very high91.4Very high151 Ų15179.3 Ų79.359%0.59242%0.418SS*.Hα-helixtrans-61-36.7178.468.7-103.5000111.9S292 C297 R298 F325S292-Y294 VanDerWaalsContact C-N 3.28Å; S292-Y294 PolarHBondContact O-N 3.31Å; S292-Y294 VanDerWaalsContact OG-CD1 3.25Å; S292-Y294 WeakPolarHBondContact OG-CD1 3.23Å; S292-Y294 WeakPolarHBondContact OG-CE1 3.25Å; S292-Y294 WeakPolarHBondContact OG-CE2 3.3Å; Y294-C297 WeakPolarHBondContact O-CB 3.36Å; Y294-C297 PolarHBondContact O-N 2.75Å; Y294-R298 PolarHBondContact O-N 3.43Å; Y294-F325 AromaticContact CD2-CE2 3.72Å; Y294-F325 HydrophobicContact CD2-CE2 3.72Å; Y294-F325 AromaticContact CD2-CZ 3.54Å; Y294-F325 HydrophobicContact CD2-CZ 3.54Å; Y294-F325 HydrophobicContact CE2-CE2 4.17Å; Y294-F325 HydrophobicContact CE2-CZ 4.37Å; Y294-F325 HydrophobicContact CG-CZ 4.39Å; Y294-F325 WeakPolarHBondContact O-CE1 3.23Å; Y294-F325 WeakPolarHBondContact O-CZ 3.41Å
295Q93.6Very high91.3Very high15 Ų1576.7 Ų76.77%0.0741%0.405CS..Hα-helixtrans-70.3-43.2178.9178.9611.600111.1E254 S292 L293 C297 R298 L299E254-Q295 PolarHBondContact O-NE2 2.97Å; S292-Q295 WeakPolarHBondContact O-CB 3.45Å; S292-Q295 PolarHBondContact O-N 2.99Å; S292-Q295 VanDerWaalsContact OG-CB 3.27Å; S292-Q295 WeakPolarHBondContact OG-CB 3.39Å; S292-Q295 PolarHBondContact OG-N 2.86Å; L293-Q295 PolarHBondContact O-N 2.92Å; Q295-C297 VanDerWaalsContact C-N 3.3Å; Q295-C297 PolarHBondContact O-N 3.02Å; Q295-R298 WeakPolarHBondContact O-CB 3.46Å; Q295-R298 PolarHBondContact O-N 2.91Å; Q295-L299 HydrophobicContact CG-CD1 4.37Å; Q295-L299 WeakPolarHBondContact O-CG 3.47Å; Q295-L299 PolarHBondContact O-N 2.89Å
296L93.4Very high91Very high85 Ų8571.6 Ų71.645%0.44539%0.386SS..Hα-helixtrans-59-43.6172.5-66.2175.1000111.2R291 S292 L293 R298 L299 C300R291-L296 HydrophobicContact CB-CD2 3.91Å; R291-L296 HydrophobicContact CB-CG 4.05Å; S292-L296 PolarHBondContact O-N 3.13Å; L293-L296 PolarHBondContact O-N 2.98Å; L296-R298 PolarHBondContact O-N 2.99Å; L296-L299 PolarHBondContact O-N 2.86Å; L296-C300 WeakPolarHBondContact O-CB 3.35Å; L296-C300 PolarHBondContact O-N 2.85Å
297C94.7Very high90.8Very high57 Ų5771.5 Ų71.539%0.38538%0.384SS..Hα-helixtrans-60.1-44.5174.6-67.90000112L293 Y294 Q295 C300 I301L293-C297 PolarHBondContact O-N 3.18Å; L293-C297 PolarHBondContact O-SG 3Å; Y294-C297 WeakPolarHBondContact O-CB 3.36Å; Y294-C297 PolarHBondContact O-N 2.75Å; Q295-C297 VanDerWaalsContact C-N 3.3Å; Q295-C297 PolarHBondContact O-N 3.02Å; C297-C300 PolarHBondContact O-N 3.39Å; C297-I301 WeakPolarHBondContact O-CB 3.37Å; C297-I301 WeakPolarHBondContact O-CD1 3.14Å; C297-I301 WeakPolarHBondContact O-CG1 3.41Å; C297-I301 PolarHBondContact O-N 3.46Å
298R95.2Very high90.6Very high12 Ų1273 Ų735%0.04540%0.4CS..Hα-helixtrans-57.8-53177.6-177.9159.661.8164.74.1112.1E254 Y294 Q295 L296 C300 I301 R302 F325 L326 Y328E254-R298 VanDerWaalsContact CG-NH2 3.26Å; E254-R298 IonicContact OE1-CZ 3.37Å; E254-R298 IonicContact OE1-NH1 3.03Å; E254-R298 PolarHBondContact OE1-NH1 3.45Å; E254-R298 IonicContact OE1-NH2 2.78Å; E254-R298 PolarHBondContact OE1-NH2 2.96Å; Y294-R298 PolarHBondContact O-N 3.43Å; Q295-R298 WeakPolarHBondContact O-CB 3.46Å; Q295-R298 PolarHBondContact O-N 2.91Å; L296-R298 PolarHBondContact O-N 2.99Å; R298-C300 VanDerWaalsContact C-N 3.34Å; R298-C300 PolarHBondContact O-N 2.82Å; R298-I301 PolarHBondContact O-N 3.35Å; R298-R302 WeakPolarHBondContact O-CB 3.21Å; R298-R302 VanDerWaalsContact O-CG 3.29Å; R298-R302 WeakPolarHBondContact O-CG 3.44Å; R298-R302 PolarHBondContact O-N 3.46Å; R298-F325 HydrophobicContact CB-CE1 3.54Å; R298-F325 HydrophobicContact CB-CZ 3.53Å; R298-F325 WeakPolarHBondContact CD-O 3.23Å; R298-F325 HydrophobicContact CG-CE1 4.1Å; R298-F325 HydrophobicContact CG-CZ 4.07Å; R298-L326 HydrophobicContact CB-CD2 4.45Å; R298-L326 HydrophobicContact CG-CD2 4.27Å; R298-Y328 HydrophobicContact CG-CE2 4.49Å
299L93.8Very high90.7Very high34 Ų3475.4 Ų75.418%0.17839%0.391CS..Hα-helixtrans-62.8-44-178-64.2175.3000111.1F255 Q295 L296 R302 S303F255-L299 WeakPolarHBondContact O-CD2 3.39Å; Q295-L299 HydrophobicContact CG-CD1 4.37Å; Q295-L299 WeakPolarHBondContact O-CG 3.47Å; Q295-L299 PolarHBondContact O-N 2.89Å; L296-L299 PolarHBondContact O-N 2.86Å; L299-R302 PolarHBondContact O-N 3.2Å; L299-S303 WeakPolarHBondContact O-CB 3.31Å; L299-S303 PolarHBondContact O-N 3.06Å; L299-S303 PolarHBondContact O-OG 2.73Å
300C93.9Very high90.8Very high58 Ų5873.2 Ų73.239%0.39238%0.377SS..Hα-helixtrans-61.2-50.3177.2-1750000111.8L296 C297 R298 R302 S303 Y304L296-C300 WeakPolarHBondContact O-CB 3.35Å; L296-C300 PolarHBondContact O-N 2.85Å; C297-C300 PolarHBondContact O-N 3.39Å; R298-C300 VanDerWaalsContact C-N 3.34Å; R298-C300 PolarHBondContact O-N 2.82Å; C300-R302 VanDerWaalsContact C-N 3.33Å; C300-R302 PolarHBondContact O-N 3.49Å; C300-S303 PolarHBondContact O-N 3.24Å; C300-S303 PolarHBondContact O-OG 3.03Å; C300-Y304 WeakPolarHBondContact O-CD2 3.45Å; C300-Y304 PolarHBondContact O-N 2.84Å; C300-Y304 WeakPolarHBondContact SG-CE2 3.26Å
301I93.6Very high91.1Very high65 Ų6573.7 Ų73.733%0.33337%0.368SS..Hα-helixtrans-60.5-45.2179-69.6164000110.5C297 R298 S303 Y304 I305 L326C297-I301 WeakPolarHBondContact O-CB 3.37Å; C297-I301 WeakPolarHBondContact O-CD1 3.14Å; C297-I301 WeakPolarHBondContact O-CG1 3.41Å; C297-I301 PolarHBondContact O-N 3.46Å; R298-I301 PolarHBondContact O-N 3.35Å; I301-S303 PolarHBondContact O-N 2.85Å; I301-Y304 PolarHBondContact O-N 3.39Å; I301-I305 HydrophobicContact CG2-CD1 3.67Å; I301-I305 HydrophobicContact CG2-CG1 4.37Å; I301-I305 VanDerWaalsContact O-CG1 3.25Å; I301-I305 WeakPolarHBondContact O-CG1 3.46Å; I301-I305 PolarHBondContact O-N 3.44Å; I301-L326 HydrophobicContact CB-CD2 3.89Å; I301-L326 HydrophobicContact CD1-CD2 3.95Å; I301-L326 HydrophobicContact CG2-CD1 3.92Å; I301-L326 HydrophobicContact CG2-CD2 3.8Å
302R93.8Very high91.3Very high31 Ų3172.1 Ų72.112%0.11737%0.366CS..Hα-helixtrans-64.4-39.5179.2-72.1177.964.187.7-3.6112.5R298 L299 C300 G306 L310 L326R298-R302 WeakPolarHBondContact O-CB 3.21Å; R298-R302 VanDerWaalsContact O-CG 3.29Å; R298-R302 WeakPolarHBondContact O-CG 3.44Å; R298-R302 PolarHBondContact O-N 3.46Å; L299-R302 PolarHBondContact O-N 3.2Å; C300-R302 VanDerWaalsContact C-N 3.33Å; C300-R302 PolarHBondContact O-N 3.49Å; R302-G306 PolarHBondContact O-N 2.88Å; R302-L310 HydrophobicContact CB-CD2 4.26Å; R302-L310 HydrophobicContact CG-CD2 4.26Å; R302-L326 WeakPolarHBondContact CD-O 3.21Å; R302-L326 PolarHBondContact NH1-O 3.46Å
303S90.8Very high91.4Very high85 Ų8570.2 Ų70.259%0.59435%0.353SS*.Hα-helixtrans-66.7-40.2177.469.60000112.1L299 C300 I301 G306L299-S303 WeakPolarHBondContact O-CB 3.31Å; L299-S303 PolarHBondContact O-N 3.06Å; L299-S303 PolarHBondContact O-OG 2.73Å; C300-S303 PolarHBondContact O-N 3.24Å; C300-S303 PolarHBondContact O-OG 3.03Å; I301-S303 PolarHBondContact O-N 2.85Å; S303-G306 PolarHBondContact O-N 2.83Å
304Y91.4Very high91.3Very high184 Ų18467 Ų6772%0.72234%0.34SS*.Hα-helixtrans-68.1-39.3175.4-83.3-70.8000113.5C300 I301 G306 R309C300-Y304 WeakPolarHBondContact O-CD2 3.45Å; C300-Y304 PolarHBondContact O-N 2.84Å; C300-Y304 WeakPolarHBondContact SG-CE2 3.26Å; I301-Y304 PolarHBondContact O-N 3.39Å; Y304-G306 VanDerWaalsContact C-N 3.29Å; Y304-R309 PolarHBondContact O-NH2 3.47Å
305I91.3Very high91.3Very high28 Ų2866.2 Ų66.214%0.14434%0.341CS..Hα-helixtrans-62.3-43.7172.5-68.5169.5000109.2I301 R309 L310 I313 L316I301-I305 HydrophobicContact CG2-CD1 3.67Å; I301-I305 HydrophobicContact CG2-CG1 4.37Å; I301-I305 VanDerWaalsContact O-CG1 3.25Å; I301-I305 WeakPolarHBondContact O-CG1 3.46Å; I301-I305 PolarHBondContact O-N 3.44Å; I305-R309 HydrophobicContact CG2-CB 3.67Å; I305-R309 WeakPolarHBondContact CG2-O 3.35Å; I305-R309 PolarHBondContact O-NE 2.92Å; I305-R309 PolarHBondContact O-NH2 3.29Å; I305-L310 HydrophobicContact CG2-CD2 4.39Å; I305-I313 HydrophobicContact CD1-CD1 4.47Å; I305-I313 HydrophobicContact CD1-CG1 3.81Å; I305-L316 HydrophobicContact CD1-CD1 3.99Å
306G86Confident91.3Very high19 Ų1968.2 Ų68.220%0.19635%0.353CS..  trans78.2148.5-177.800000112.3R302 S303 Y304 P308 R309 L310R302-G306 PolarHBondContact O-N 2.88Å; S303-G306 PolarHBondContact O-N 2.83Å; Y304-G306 VanDerWaalsContact C-N 3.29Å; G306-P308 VanDerWaalsContact C-CD 3.44Å; G306-R309 PolarHBondContact O-N 3.41Å; G306-L310 PolarHBondContact O-N 2.94Å
307K83.1Confident91.3Very high70 Ų7073.1 Ų73.130%0.30437%0.373SS..G310 helixtrans-39.6-53.9180-179.6-177.3176.3-1780115.1D193 D195 G224 R309 L310D193-K307 IonicContact OD1-NZ 3.1Å; D193-K307 PolarHBondContact OD1-NZ 3.28Å; D193-K307 VanDerWaalsContact OD1-NZ 3.1Å; D195-K307 IonicContact OD2-NZ 2.71Å; D195-K307 PolarHBondContact OD2-NZ 2.87Å; G224-K307 WeakPolarHBondContact O-CD 3.22Å; K307-R309 PolarHBondContact O-N 2.86Å; K307-L310 WeakPolarHBondContact O-CG 3.24Å; K307-L310 PolarHBondContact O-N 2.83Å
308P84.1Confident91.3Very high99 Ų9973.5 Ų73.564%0.64337%0.371SS*.G310 helixtrans-65.3-17-174.426.1-35.9000113.8G306 H311G306-P308 VanDerWaalsContact C-CD 3.44Å; P308-H311 PolarHBondContact O-CE1 3.35Å; P308-H311 PolarHBondContact O-ND1 3.27Å
309R89.5Confident91.4Very high132 Ų13276.9 Ų76.950%0.49840%0.395SS..G310 helixtrans-111.15.7-175.4-65.3-177.2-63.1-173.11.3113.3Y304 I305 G306 K307 H311 L312Y304-R309 PolarHBondContact O-NH2 3.47Å; I305-R309 HydrophobicContact CG2-CB 3.67Å; I305-R309 WeakPolarHBondContact CG2-O 3.35Å; I305-R309 PolarHBondContact O-NE 2.92Å; I305-R309 PolarHBondContact O-NH2 3.29Å; G306-R309 PolarHBondContact O-N 3.41Å; K307-R309 PolarHBondContact O-N 2.86Å; R309-H311 PolarHBondContact O-N 3.4Å; R309-L312 HydrophobicContact CB-CD1 4.03Å; R309-L312 HydrophobicContact CG-CD1 4.1Å; R309-L312 VanDerWaalsContact O-CB 3.29Å; R309-L312 WeakPolarHBondContact O-CB 3.29Å; R309-L312 PolarHBondContact O-N 3.28Å
310L89.2Confident91.4Very high25 Ų2580.4 Ų80.413%0.13142%0.418CS..G310 helixtrans-58.6-30.9178.4-69.1174.4000112.4R302 I305 G306 K307 L312 I313R302-L310 HydrophobicContact CB-CD2 4.26Å; R302-L310 HydrophobicContact CG-CD2 4.26Å; I305-L310 HydrophobicContact CG2-CD2 4.39Å; G306-L310 PolarHBondContact O-N 2.94Å; K307-L310 WeakPolarHBondContact O-CG 3.24Å; K307-L310 PolarHBondContact O-N 2.83Å; L310-L312 PolarHBondContact O-N 2.87Å; L310-L312 VanDerWaalsContact O-N 3.14Å; L310-I313 HydrophobicContact CB-CD1 4.44Å; L310-I313 HydrophobicContact CD2-CD1 3.93Å; L310-I313 WeakPolarHBondContact O-CB 3.22Å; L310-I313 WeakPolarHBondContact O-CD1 3.32Å; L310-I313 WeakPolarHBondContact O-CG1 3.23Å; L310-I313 PolarHBondContact O-N 3.45Å
311H88.7Confident91.4Very high134 Ų13483.9 Ų83.962%0.6243%0.432SS*.G310 helixtrans-63.4-15.1174.269.8-88.6000113.8P308 R309 P314P308-H311 PolarHBondContact O-CE1 3.35Å; P308-H311 PolarHBondContact O-ND1 3.27Å; R309-H311 PolarHBondContact O-N 3.4Å; H311-P314 VanDerWaalsContact O-CD 3.29Å; H311-P314 WeakPolarHBondContact O-CD 3.22Å
312L92.3Very high91.4Very high57 Ų5784.5 Ų84.530%0.29844%0.435SS..G310 helixtrans-88.8-6.2178-55.9177.5000113.5R309 L310 P314 Q315R309-L312 HydrophobicContact CB-CD1 4.03Å; R309-L312 HydrophobicContact CG-CD1 4.1Å; R309-L312 VanDerWaalsContact O-CB 3.29Å; R309-L312 WeakPolarHBondContact O-CB 3.29Å; R309-L312 PolarHBondContact O-N 3.28Å; L310-L312 PolarHBondContact O-N 2.87Å; L310-L312 VanDerWaalsContact O-N 3.14Å; L312-P314 VanDerWaalsContact C-N 3.3Å; L312-Q315 VanDerWaalsContact O-CB 3.3Å; L312-Q315 WeakPolarHBondContact O-CB 3.32Å; L312-Q315 PolarHBondContact O-N 2.9Å
313I92.8Very high91.4Very high1 Ų185 Ų851%0.00544%0.438CS..G310 helixtrans-51.1-40.9177.2-66.5167.3000113.2I305 L310 Q315 L316 L326 Q327I305-I313 HydrophobicContact CD1-CD1 4.47Å; I305-I313 HydrophobicContact CD1-CG1 3.81Å; L310-I313 HydrophobicContact CB-CD1 4.44Å; L310-I313 HydrophobicContact CD2-CD1 3.93Å; L310-I313 WeakPolarHBondContact O-CB 3.22Å; L310-I313 WeakPolarHBondContact O-CD1 3.32Å; L310-I313 WeakPolarHBondContact O-CG1 3.23Å; L310-I313 PolarHBondContact O-N 3.45Å; I313-Q315 PolarHBondContact O-N 2.94Å; I313-Q315 VanDerWaalsContact O-N 3.1Å; I313-L316 HydrophobicContact CG2-CD1 4.26Å; I313-L316 WeakPolarHBondContact O-CB 3.37Å; I313-L316 WeakPolarHBondContact O-CG 3.27Å; I313-L316 PolarHBondContact O-N 3.39Å; I313-L316 VanDerWaalsContact O-N 3.15Å; I313-L326 HydrophobicContact CD1-CB 4.41Å; I313-L326 HydrophobicContact CG2-CB 3.8Å; I313-L326 HydrophobicContact CG2-CD1 4.22Å; I313-Q327 HydrophobicContact CB-CG 4.1Å; I313-Q327 HydrophobicContact CD1-CG 4.28Å; I313-Q327 HydrophobicContact CG2-CG 3.8Å
314P92.9Very high91.5Very high66 Ų6684.2 Ų84.243%0.42943%0.427SS..G310 helixtrans-57.4-24.8176.3-21.429.7000114.5H311 L312 K323 Q327H311-P314 VanDerWaalsContact O-CD 3.29Å; H311-P314 WeakPolarHBondContact O-CD 3.22Å; L312-P314 VanDerWaalsContact C-N 3.3Å; P314-K323 VanDerWaalsContact O-CE 3.25Å; P314-K323 WeakPolarHBondContact O-CE 3.48Å; P314-K323 PolarHBondContact O-NZ 3.36Å; P314-Q327 VanDerWaalsContact CD-NE2 3.33Å; P314-Q327 VanDerWaalsContact CG-NE2 3.31Å
315Q93.8Very high91.7Very high133 Ų13377.8 Ų77.862%0.62140%0.403SS*.G310 helixtrans-85.3-11-176.6-53.8178.17.500113.1L312 I313L312-Q315 VanDerWaalsContact O-CB 3.3Å; L312-Q315 WeakPolarHBondContact O-CB 3.32Å; L312-Q315 PolarHBondContact O-N 2.9Å; I313-Q315 PolarHBondContact O-N 2.94Å; I313-Q315 VanDerWaalsContact O-N 3.1Å
316L92.3Very high91.7Very high58 Ų5876.6 Ų76.630%0.30440%0.397SS..SBendtrans-61.3145.8177.1-62.9176000110.7I305 I313 L318 K323 L326I305-L316 HydrophobicContact CD1-CD1 3.99Å; I313-L316 HydrophobicContact CG2-CD1 4.26Å; I313-L316 WeakPolarHBondContact O-CB 3.37Å; I313-L316 WeakPolarHBondContact O-CG 3.27Å; I313-L316 PolarHBondContact O-N 3.39Å; I313-L316 VanDerWaalsContact O-N 3.15Å; L316-L318 HydrophobicContact CB-CD1 3.94Å; L316-L318 HydrophobicContact CB-CG 4.08Å; L316-L318 HydrophobicContact CD1-CD1 3.91Å; L316-L318 PolarHBondContact O-N 2.91Å; L316-K323 WeakPolarHBondContact O-CE 3.3Å; L316-K323 PolarHBondContact O-NZ 3.47Å; L316-L326 HydrophobicContact CD1-CD1 4.19Å
317Q94.6Very high92Very high188 Ų18877 Ų7788%0.87939%0.394SS*.SBendtrans-80.265.6176-60.9-60.2-31.600110.2
318L94.2Very high92.3Very high64 Ų6474.5 Ų74.534%0.33538%0.383SS..SBendtrans-128.5154-177.7-66.7173.1000111L316 L322 K323 L326L316-L318 HydrophobicContact CB-CD1 3.94Å; L316-L318 HydrophobicContact CB-CG 4.08Å; L316-L318 HydrophobicContact CD1-CD1 3.91Å; L316-L318 PolarHBondContact O-N 2.91Å; L318-L322 HydrophobicContact CB-CB 4.46Å; L318-K323 HydrophobicContact CB-CG 4.15Å; L318-K323 WeakPolarHBondContact O-CE 3.35Å; L318-L326 HydrophobicContact CD1-CD1 3.78Å
319P96.5Very high92.3Very high84 Ų8480.2 Ų80.255%0.54539%0.392SS..  trans-52.2145.9167-26.233.9000112.5L321 L322 K323P319-L321 PolarHBondContact O-N 3Å; P319-L322 HydrophobicContact CG-CD1 4.38Å; P319-L322 PolarHBondContact O-N 3.41Å; P319-K323 PolarHBondContact O-N 3.02Å
320T93.9Very high92.4Very high108 Ų10877.7 Ų77.766%0.66339%0.386SS*.Hα-helixtrans-55.2-39.5-179.349.10000112.6L322 K323 N324T320-L322 VanDerWaalsContact C-N 3.34Å; T320-L322 PolarHBondContact O-N 3.11Å; T320-K323 WeakPolarHBondContact O-CB 3.45Å; T320-K323 PolarHBondContact O-N 2.83Å; T320-N324 WeakPolarHBondContact O-CB 3.32Å; T320-N324 VanDerWaalsContact O-CG 3.29Å; T320-N324 PolarHBondContact O-N 3.43Å; T320-N324 PolarHBondContact O-OD1 3.13Å
321L94.7Very high92.6Very high130 Ų13080.4 Ų80.468%0.68140%0.4SS*.Hα-helixtrans-62.3-39.8178.1-168.5143.8000112.4P319 F325P319-L321 PolarHBondContact O-N 3Å; L321-F325 VanDerWaalsContact O-CB 3.29Å; L321-F325 WeakPolarHBondContact O-CB 3.47Å; L321-F325 PolarHBondContact O-N 3.38Å
322L94.3Very high92.8Very high78 Ų7877.4 Ų77.441%0.40839%0.387SS..Hα-helixtrans-72-35.1175.7-66.5-175000111.8L318 P319 T320 F325 L326L318-L322 HydrophobicContact CB-CB 4.46Å; P319-L322 HydrophobicContact CG-CD1 4.38Å; P319-L322 PolarHBondContact O-N 3.41Å; T320-L322 VanDerWaalsContact C-N 3.34Å; T320-L322 PolarHBondContact O-N 3.11Å; L322-F325 PolarHBondContact O-N 3.47Å; L322-L326 WeakPolarHBondContact O-CB 3.28Å; L322-L326 VanDerWaalsContact O-CG 3.24Å; L322-L326 WeakPolarHBondContact O-CG 3.32Å; L322-L326 PolarHBondContact O-N 2.87Å
323K93.7Very high92.8Very high42 Ų4278.6 Ų78.618%0.18339%0.393CS..Hα-helixtrans-61.7-46.1173.7-68.4174.6172.3-179.60111.5P314 L316 L318 P319 T320 L326 Q327P314-K323 VanDerWaalsContact O-CE 3.25Å; P314-K323 WeakPolarHBondContact O-CE 3.48Å; P314-K323 PolarHBondContact O-NZ 3.36Å; L316-K323 WeakPolarHBondContact O-CE 3.3Å; L316-K323 PolarHBondContact O-NZ 3.47Å; L318-K323 HydrophobicContact CB-CG 4.15Å; L318-K323 WeakPolarHBondContact O-CE 3.35Å; P319-K323 PolarHBondContact O-N 3.02Å; T320-K323 WeakPolarHBondContact O-CB 3.45Å; T320-K323 PolarHBondContact O-N 2.83Å; K323-L326 PolarHBondContact O-N 3.05Å; K323-Q327 VanDerWaalsContact O-CG 3.31Å; K323-Q327 WeakPolarHBondContact O-CG 3.29Å; K323-Q327 PolarHBondContact O-N 3.37Å; K323-Q327 VanDerWaalsContact O-N 3.09Å
324N93.3Very high92.8Very high69 Ų6983.5 Ų83.537%0.36942%0.417SS..Hα-helixtrans-62.7-48.5177.6-71.60.3000110.3T320 L326 Q327 Y328 R329T320-N324 WeakPolarHBondContact O-CB 3.32Å; T320-N324 VanDerWaalsContact O-CG 3.29Å; T320-N324 PolarHBondContact O-N 3.43Å; T320-N324 PolarHBondContact O-OD1 3.13Å; N324-L326 VanDerWaalsContact C-N 3.32Å; N324-L326 PolarHBondContact O-N 3.37Å; N324-Q327 CarbonylContact O-C 3.46Å; N324-Q327 WeakPolarHBondContact O-CA 3.27Å; N324-Q327 WeakPolarHBondContact O-CB 3.35Å; N324-Q327 PolarHBondContact O-N 3.41Å; N324-Y328 PolarHBondContact O-N 3.32Å; N324-R329 HydrophobicContact CB-CB 4.21Å; N324-R329 VanDerWaalsContact CB-OXT 3.28Å; N324-R329 WeakPolarHBondContact CB-OXT 3.46Å; N324-R329 PolarHBondContact O-N 3.23Å; N324-R329 VanDerWaalsContact O-OXT 3.09Å
325F93.8Very high92.8Very high49 Ų4984.7 Ų84.722%0.21542%0.416CS..Hα-helixtrans-54-44.5174.5171.5-108.4000113.2Y294 R298 L321 L322 Q327 Y328Y294-F325 AromaticContact CD2-CE2 3.72Å; Y294-F325 HydrophobicContact CD2-CE2 3.72Å; Y294-F325 AromaticContact CD2-CZ 3.54Å; Y294-F325 HydrophobicContact CD2-CZ 3.54Å; Y294-F325 HydrophobicContact CE2-CE2 4.17Å; Y294-F325 HydrophobicContact CE2-CZ 4.37Å; Y294-F325 HydrophobicContact CG-CZ 4.39Å; Y294-F325 WeakPolarHBondContact O-CE1 3.23Å; Y294-F325 WeakPolarHBondContact O-CZ 3.41Å; R298-F325 HydrophobicContact CB-CE1 3.54Å; R298-F325 HydrophobicContact CB-CZ 3.53Å; R298-F325 WeakPolarHBondContact CD-O 3.23Å; R298-F325 HydrophobicContact CG-CE1 4.1Å; R298-F325 HydrophobicContact CG-CZ 4.07Å; L321-F325 VanDerWaalsContact O-CB 3.29Å; L321-F325 WeakPolarHBondContact O-CB 3.47Å; L321-F325 PolarHBondContact O-N 3.38Å; L322-F325 PolarHBondContact O-N 3.47Å; F325-Q327 VanDerWaalsContact C-N 3.26Å; F325-Q327 PolarHBondContact O-N 3Å; F325-Y328 PolarHBondContact O-N 3.44Å
326L93.2Very high92.8Very high3 Ų381.2 Ų81.22%0.01640%0.401CS..Hα-helixtrans-66.8-24.4175.6-71.1175.1000113.7R298 I301 R302 I313 L316 L318 L322 K323 N324R298-L326 HydrophobicContact CB-CD2 4.45Å; R298-L326 HydrophobicContact CG-CD2 4.27Å; I301-L326 HydrophobicContact CB-CD2 3.89Å; I301-L326 HydrophobicContact CD1-CD2 3.95Å; I301-L326 HydrophobicContact CG2-CD1 3.92Å; I301-L326 HydrophobicContact CG2-CD2 3.8Å; R302-L326 WeakPolarHBondContact CD-O 3.21Å; R302-L326 PolarHBondContact NH1-O 3.46Å; I313-L326 HydrophobicContact CD1-CB 4.41Å; I313-L326 HydrophobicContact CG2-CB 3.8Å; I313-L326 HydrophobicContact CG2-CD1 4.22Å; L316-L326 HydrophobicContact CD1-CD1 4.19Å; L318-L326 HydrophobicContact CD1-CD1 3.78Å; L322-L326 WeakPolarHBondContact O-CB 3.28Å; L322-L326 VanDerWaalsContact O-CG 3.24Å; L322-L326 WeakPolarHBondContact O-CG 3.32Å; L322-L326 PolarHBondContact O-N 2.87Å; K323-L326 PolarHBondContact O-N 3.05Å; N324-L326 VanDerWaalsContact C-N 3.32Å; N324-L326 PolarHBondContact O-N 3.37Å
327Q90.6Very high92.8Very high28 Ų2883 Ų8313%0.13141%0.409CS..THydrogen-bonded Turntrans-93.31.7176.8-70171.730.100113.4I313 P314 K323 N324 F325 R329I313-Q327 HydrophobicContact CB-CG 4.1Å; I313-Q327 HydrophobicContact CD1-CG 4.28Å; I313-Q327 HydrophobicContact CG2-CG 3.8Å; P314-Q327 VanDerWaalsContact CD-NE2 3.33Å; P314-Q327 VanDerWaalsContact CG-NE2 3.31Å; K323-Q327 VanDerWaalsContact O-CG 3.31Å; K323-Q327 WeakPolarHBondContact O-CG 3.29Å; K323-Q327 PolarHBondContact O-N 3.37Å; K323-Q327 VanDerWaalsContact O-N 3.09Å; N324-Q327 CarbonylContact O-C 3.46Å; N324-Q327 WeakPolarHBondContact O-CA 3.27Å; N324-Q327 WeakPolarHBondContact O-CB 3.35Å; N324-Q327 PolarHBondContact O-N 3.41Å; F325-Q327 VanDerWaalsContact C-N 3.26Å; F325-Q327 PolarHBondContact O-N 3Å; Q327-R329 HydrophobicContact CB-CB 4.49Å; Q327-R329 HydrophobicContact CB-CG 4.14Å; Q327-R329 PolarHBondContact O-N 3.36Å
328Y89.9Confident92.6Very high16 Ų1674.3 Ų74.36%0.06337%0.37CS..THydrogen-bonded Turntrans56.335.6-170.3-63.1-101.9000112.4Y222 E254 F255 R298 N324 F325Y222-Y328 WeakPolarHBondContact CE1-O 3.46Å; Y222-Y328 VanDerWaalsContact OH-CB 3.3Å; Y222-Y328 WeakPolarHBondContact OH-CB 3.46Å; Y222-Y328 PolarHBondContact OH-O 2.93Å; E254-Y328 HydrophobicContact CG-CE1 4.01Å; E254-Y328 WeakPolarHBondContact O-CE1 3.43Å; E254-Y328 PolarHBondContact O-OH 3.34Å; E254-Y328 VanDerWaalsContact OE1-CD1 3.27Å; E254-Y328 WeakPolarHBondContact OE1-CD1 3.37Å; E254-Y328 WeakPolarHBondContact OE1-CE1 3.12Å; F255-Y328 HydrophobicContact CD1-CE1 4.34Å; F255-Y328 AromaticContact CD1-CE2 3.95Å; F255-Y328 HydrophobicContact CD1-CE2 3.95Å; F255-Y328 AromaticContact CD1-CZ 3.8Å; F255-Y328 HydrophobicContact CD2-CD1 4.39Å; F255-Y328 AromaticContact CD2-CE1 3.89Å; F255-Y328 HydrophobicContact CD2-CE1 3.89Å; F255-Y328 HydrophobicContact CE1-CD1 4.34Å; F255-Y328 AromaticContact CE1-CD2 3.73Å; F255-Y328 HydrophobicContact CE1-CD2 3.73Å; F255-Y328 HydrophobicContact CE1-CE1 4.1Å; F255-Y328 AromaticContact CE1-CE2 3.46Å; F255-Y328 HydrophobicContact CE1-CE2 3.46Å; F255-Y328 VanDerWaalsContact CE1-CE2 3.46Å; F255-Y328 HydrophobicContact CE1-CG 4.19Å; F255-Y328 AromaticContact CE1-CZ 3.68Å; F255-Y328 AromaticContact CE2-CD1 3.67Å; F255-Y328 HydrophobicContact CE2-CD1 3.67Å; F255-Y328 HydrophobicContact CE2-CD2 4.48Å; F255-Y328 AromaticContact CE2-CE1 3.62Å; F255-Y328 HydrophobicContact CE2-CE1 3.62Å; F255-Y328 HydrophobicContact CE2-CE2 4.44Å; F255-Y328 HydrophobicContact CE2-CG 4.14Å; F255-Y328 HydrophobicContact CG-CE1 4.25Å; F255-Y328 AromaticContact CZ-CD1 3.64Å; F255-Y328 HydrophobicContact CZ-CD1 3.64Å; F255-Y328 AromaticContact CZ-CD2 3.64Å; F255-Y328 HydrophobicContact CZ-CD2 3.64Å; F255-Y328 AromaticContact CZ-CE1 3.74Å; F255-Y328 HydrophobicContact CZ-CE1 3.74Å; F255-Y328 AromaticContact CZ-CE2 3.75Å; F255-Y328 HydrophobicContact CZ-CE2 3.75Å; F255-Y328 AromaticContact CZ-CG 3.62Å; F255-Y328 HydrophobicContact CZ-CG 3.62Å; F255-Y328 AromaticContact CZ-CZ 3.81Å; R298-Y328 HydrophobicContact CG-CE2 4.49Å; N324-Y328 PolarHBondContact O-N 3.32Å; F325-Y328 PolarHBondContact O-N 3.44Å
329R83.8Confident92.5Very high220 Ų22075.2 Ų75.283%0.8337%0.373SS*.  trans-111.40173-66.8-178.9178.2-177.3-2.6110.4N324 Q327N324-R329 HydrophobicContact CB-CB 4.21Å; N324-R329 VanDerWaalsContact CB-OXT 3.28Å; N324-R329 WeakPolarHBondContact CB-OXT 3.46Å; N324-R329 PolarHBondContact O-N 3.23Å; N324-R329 VanDerWaalsContact O-OXT 3.09Å; Q327-R329 HydrophobicContact CB-CB 4.49Å; Q327-R329 HydrophobicContact CB-CG 4.14Å; Q327-R329 PolarHBondContact O-N 3.36Å

Retrieved 329 of 329 residues in 1683.3 ms (Link to these results)

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