A0A096N158_PAPAN Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A096N158, Species PAPAN (Papio anubis, Olive baboon), Gene ZDHHC4, Length 344 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
1M51.4Low65.2Low178 Ų17893.4 Ų93.488%0.87745%0.445SS*.  0115.40-97.9-17475.800106.3F3 I5 L6M1-F3 PolarHBondContact O-N 2.61Å; M1-I5 HydrophobicContact CE-CB 4.48Å; M1-I5 HydrophobicContact CE-CG2 3.85Å; M1-L6 HydrophobicContact CE-CB 4.47Å; M1-L6 HydrophobicContact CE-CD1 4.28Å
2D69.1Low65.8Low78 Ų7889.7 Ų89.742%0.41744%0.441SS..  trans-57.9133.5176.1-64.7-52000109.7L4 I5 L6D2-L4 PolarHBondContact O-N 3.1Å; D2-L4 VanDerWaalsContact O-N 3.09Å; D2-I5 HydrophobicContact CB-CD1 4.13Å; D2-I5 HydrophobicContact CB-CG1 4.17Å; D2-I5 WeakPolarHBondContact O-CA 3.41Å; D2-I5 WeakPolarHBondContact O-CB 3.36Å; D2-I5 PolarHBondContact O-N 3.4Å; D2-L6 PolarHBondContact O-N 3.24Å
3F55.3Low66Low95 Ų9590.2 Ų90.242%0.41745%0.446SS..Hα-helixtrans-51.7-35.1179.7-175.7-75.7000111.4M1 I5 L6 F7 F250 F258M1-F3 PolarHBondContact O-N 2.61Å; F3-I5 VanDerWaalsContact C-N 3.33Å; F3-I5 PolarHBondContact O-N 3.12Å; F3-L6 WeakPolarHBondContact O-CB 3.41Å; F3-L6 PolarHBondContact O-N 3.33Å; F3-L6 VanDerWaalsContact O-N 3.13Å; F3-F7 HydrophobicContact CE1-CB 4.21Å; F3-F7 PolarHBondContact O-N 2.82Å; F3-F250 AromaticContact CD1-CD1 3.77Å; F3-F250 HydrophobicContact CD1-CD1 3.77Å; F3-F250 AromaticContact CD1-CE1 3.23Å; F3-F250 HydrophobicContact CD1-CE1 3.23Å; F3-F250 HydrophobicContact CD1-CE2 4.47Å; F3-F250 AromaticContact CD1-CZ 3.67Å; F3-F250 HydrophobicContact CD1-CZ 3.67Å; F3-F250 AromaticContact CE1-CD1 4Å; F3-F250 HydrophobicContact CE1-CD1 4Å; F3-F250 AromaticContact CE1-CE1 3.01Å; F3-F250 HydrophobicContact CE1-CE1 3.01Å; F3-F250 HydrophobicContact CE1-CE2 4.04Å; F3-F250 AromaticContact CE1-CZ 3.06Å; F3-F250 HydrophobicContact CE1-CZ 3.06Å; F3-F250 HydrophobicContact CG-CE1 4.26Å; F3-F250 AromaticContact CZ-CE1 3.79Å; F3-F250 HydrophobicContact CZ-CE1 3.79Å; F3-F250 AromaticContact CZ-CZ 3.91Å; F3-F250 HydrophobicContact CZ-CZ 3.91Å; F3-F258 HydrophobicContact CE1-CZ 4.26Å; F3-F258 HydrophobicContact CZ-CZ 4.07Å
4L59.6Low66Low22 Ų2288.1 Ų88.112%0.11544%0.441CS..Hα-helixtrans-57.7-43174-179.761.2000112.6D2 L6 F7 L8 V243 I246D2-L4 PolarHBondContact O-N 3.1Å; D2-L4 VanDerWaalsContact O-N 3.09Å; L4-L6 VanDerWaalsContact C-N 3.31Å; L4-L6 PolarHBondContact O-N 2.95Å; L4-F7 PolarHBondContact O-N 2.97Å; L4-L8 HydrophobicContact CD1-CD1 4.1Å; L4-L8 HydrophobicContact CD1-CG 4.17Å; L4-L8 HydrophobicContact CG-CD1 4.03Å; L4-L8 HydrophobicContact CG-CG 4.48Å; L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 VanDerWaalsContact O-CG 3.28Å; L4-L8 WeakPolarHBondContact O-CG 3.5Å; L4-L8 PolarHBondContact O-N 3.05Å; L4-V243 HydrophobicContact CD2-CG1 4.1Å; L4-I246 HydrophobicContact CD1-CG2 3.66Å; L4-I246 HydrophobicContact CD2-CB 4.31Å; L4-I246 HydrophobicContact CD2-CG2 3.82Å; L4-I246 HydrophobicContact CG-CG2 4.4Å
5I70.2Confident66.2Low88 Ų8886.3 Ų86.345%0.45144%0.436SS..Hα-helixtrans-64.3-41.5176.6-61.4173.6000109.6M1 D2 F3 F9M1-I5 HydrophobicContact CE-CB 4.48Å; M1-I5 HydrophobicContact CE-CG2 3.85Å; D2-I5 HydrophobicContact CB-CD1 4.13Å; D2-I5 HydrophobicContact CB-CG1 4.17Å; D2-I5 WeakPolarHBondContact O-CA 3.41Å; D2-I5 WeakPolarHBondContact O-CB 3.36Å; D2-I5 PolarHBondContact O-N 3.4Å; F3-I5 VanDerWaalsContact C-N 3.33Å; F3-I5 PolarHBondContact O-N 3.12Å; I5-F9 WeakPolarHBondContact O-CB 3.46Å; I5-F9 PolarHBondContact O-N 2.75Å
6L67Low66.3Low95 Ų9588.7 Ų88.750%0.49745%0.447SS..Hα-helixtrans-65.9-40.6177.9-171.666.6000112.1M1 D2 F3 L4 F9 Y10M1-L6 HydrophobicContact CE-CB 4.47Å; M1-L6 HydrophobicContact CE-CD1 4.28Å; D2-L6 PolarHBondContact O-N 3.24Å; F3-L6 WeakPolarHBondContact O-CB 3.41Å; F3-L6 PolarHBondContact O-N 3.33Å; F3-L6 VanDerWaalsContact O-N 3.13Å; L4-L6 VanDerWaalsContact C-N 3.31Å; L4-L6 PolarHBondContact O-N 2.95Å; L6-F9 PolarHBondContact O-N 2.79Å; L6-Y10 WeakPolarHBondContact O-CB 3.35Å; L6-Y10 PolarHBondContact O-N 2.95Å
7F65.8Low66.5Low43 Ų4385.1 Ų85.119%0.18944%0.438CS..Hα-helixtrans-67-47.7176.3174.2-103.3000112.1F3 L4 F9 Y10 L11 F250 F258F3-F7 HydrophobicContact CE1-CB 4.21Å; F3-F7 PolarHBondContact O-N 2.82Å; L4-F7 PolarHBondContact O-N 2.97Å; F7-F9 VanDerWaalsContact C-N 3.27Å; F7-F9 PolarHBondContact O-N 2.85Å; F7-Y10 WeakPolarHBondContact O-CB 3.41Å; F7-Y10 PolarHBondContact O-N 2.87Å; F7-Y10 VanDerWaalsContact O-N 3.14Å; F7-L11 WeakPolarHBondContact O-CB 3.43Å; F7-L11 PolarHBondContact O-N 3.38Å; F7-F250 HydrophobicContact CG-CE2 4.42Å; F7-F258 HydrophobicContact CD2-CD1 4.36Å; F7-F258 AromaticContact CD2-CE1 3.86Å; F7-F258 HydrophobicContact CD2-CE1 3.86Å; F7-F258 AromaticContact CE2-CD1 3.88Å; F7-F258 HydrophobicContact CE2-CD1 3.88Å; F7-F258 AromaticContact CE2-CE1 3.85Å; F7-F258 HydrophobicContact CE2-CE1 3.85Å
8L70.3Confident66.3Low92 Ų9284.5 Ų84.548%0.48244%0.435SS..Hα-helixtrans-62.3-38.2176.2-71.9174000111.3L4 L11 A12L4-L8 HydrophobicContact CD1-CD1 4.1Å; L4-L8 HydrophobicContact CD1-CG 4.17Å; L4-L8 HydrophobicContact CG-CD1 4.03Å; L4-L8 HydrophobicContact CG-CG 4.48Å; L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 VanDerWaalsContact O-CG 3.28Å; L4-L8 WeakPolarHBondContact O-CG 3.5Å; L4-L8 PolarHBondContact O-N 3.05Å; L8-L11 PolarHBondContact O-N 2.83Å; L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 2.83Å
9F71.8Confident66.4Low125 Ų12584 Ų8455%0.54844%0.436SS..Hα-helixtrans-63.2-43.4173.1-177.5-103.6000111.8I5 L6 F7 A12 L13I5-F9 WeakPolarHBondContact O-CB 3.46Å; I5-F9 PolarHBondContact O-N 2.75Å; L6-F9 PolarHBondContact O-N 2.79Å; F7-F9 VanDerWaalsContact C-N 3.27Å; F7-F9 PolarHBondContact O-N 2.85Å; F9-A12 PolarHBondContact O-N 2.9Å; F9-L13 HydrophobicContact CD1-CD1 3.69Å; F9-L13 HydrophobicContact CE1-CD1 3.22Å; F9-L13 HydrophobicContact CE1-CG 4.38Å; F9-L13 HydrophobicContact CE2-CD1 4.4Å; F9-L13 HydrophobicContact CG-CD1 4.45Å; F9-L13 HydrophobicContact CZ-CD1 3.64Å; F9-L13 HydrophobicContact CZ-CG 4.44Å; F9-L13 WeakPolarHBondContact O-CB 3.24Å; F9-L13 PolarHBondContact O-N 2.94Å
10Y67Low66.3Low158 Ų15884.5 Ų84.562%0.6244%0.439SS*.Hα-helixtrans-64.4-46176.3-171.8-94.4000111.9L6 F7 A12 L13 V14L6-Y10 WeakPolarHBondContact O-CB 3.35Å; L6-Y10 PolarHBondContact O-N 2.95Å; F7-Y10 WeakPolarHBondContact O-CB 3.41Å; F7-Y10 PolarHBondContact O-N 2.87Å; F7-Y10 VanDerWaalsContact O-N 3.14Å; Y10-A12 PolarHBondContact O-N 3.02Å; Y10-L13 WeakPolarHBondContact O-CB 3.47Å; Y10-L13 PolarHBondContact O-N 3.03Å; Y10-V14 HydrophobicContact CD1-CG2 4.08Å; Y10-V14 HydrophobicContact CE1-CG2 3.74Å; Y10-V14 WeakPolarHBondContact O-CG2 3.22Å; Y10-V14 PolarHBondContact O-N 3.29Å
11L69.6Low66.2Low53 Ų5386 Ų8628%0.27745%0.446SS..Hα-helixtrans-60.4-46.3176.1179.863.3000111F7 L8 L13 V14 V15 V265F7-L11 WeakPolarHBondContact O-CB 3.43Å; F7-L11 PolarHBondContact O-N 3.38Å; L8-L11 PolarHBondContact O-N 2.83Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.27Å; L11-V14 PolarHBondContact O-N 2.8Å; L11-V15 HydrophobicContact CD1-CG2 4.28Å; L11-V15 WeakPolarHBondContact O-CB 3.47Å; L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.42Å; L11-V15 PolarHBondContact O-N 3.06Å; L11-V265 HydrophobicContact CD1-CG2 3.72Å
12A72.3Confident66.4Low49 Ų4981.4 Ų81.441%0.40543%0.431SS..Hα-helixtrans-60.7-42.6175.500000111.2L8 F9 Y10 V14 V15 M16L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 2.83Å; F9-A12 PolarHBondContact O-N 2.9Å; Y10-A12 PolarHBondContact O-N 3.02Å; A12-V14 PolarHBondContact O-N 2.65Å; A12-V15 PolarHBondContact O-N 3.49Å; A12-M16 WeakPolarHBondContact O-CB 3.38Å; A12-M16 WeakPolarHBondContact O-CG 3.27Å; A12-M16 PolarHBondContact O-N 3.5Å
13L69.3Low66.1Low96 Ų9680.6 Ų80.650%0.50343%0.429SS..Hα-helixtrans-60.9-43.6175.1-99.9160.5000112.7F9 Y10 L11 G17F9-L13 HydrophobicContact CD1-CD1 3.69Å; F9-L13 HydrophobicContact CE1-CD1 3.22Å; F9-L13 HydrophobicContact CE1-CG 4.38Å; F9-L13 HydrophobicContact CE2-CD1 4.4Å; F9-L13 HydrophobicContact CG-CD1 4.45Å; F9-L13 HydrophobicContact CZ-CD1 3.64Å; F9-L13 HydrophobicContact CZ-CG 4.44Å; F9-L13 WeakPolarHBondContact O-CB 3.24Å; F9-L13 PolarHBondContact O-N 2.94Å; Y10-L13 WeakPolarHBondContact O-CB 3.47Å; Y10-L13 PolarHBondContact O-N 3.03Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.27Å; L13-G17 PolarHBondContact O-N 3.47Å
14V65.1Low66.1Low61 Ų6177 Ų7737%0.3741%0.414SS..Hα-helixtrans-65.6-47.6177.8172.40000110.5Y10 L11 A12 G17 L18Y10-V14 HydrophobicContact CD1-CG2 4.08Å; Y10-V14 HydrophobicContact CE1-CG2 3.74Å; Y10-V14 WeakPolarHBondContact O-CG2 3.22Å; Y10-V14 PolarHBondContact O-N 3.29Å; L11-V14 PolarHBondContact O-N 2.8Å; A12-V14 PolarHBondContact O-N 2.65Å; V14-G17 PolarHBondContact O-N 2.9Å; V14-L18 HydrophobicContact CG1-CD1 4.23Å; V14-L18 WeakPolarHBondContact O-CG 3.02Å; V14-L18 PolarHBondContact O-N 2.9Å
15V69.3Low65.9Low61 Ų6179.9 Ų79.937%0.3744%0.437SS..Hα-helixtrans-63.5-45.9178.3172.90000110.8L11 A12 G17 L18 V19L11-V15 HydrophobicContact CD1-CG2 4.28Å; L11-V15 WeakPolarHBondContact O-CB 3.47Å; L11-V15 VanDerWaalsContact O-CG2 3.29Å; L11-V15 WeakPolarHBondContact O-CG2 3.42Å; L11-V15 PolarHBondContact O-N 3.06Å; A12-V15 PolarHBondContact O-N 3.49Å; V15-G17 VanDerWaalsContact C-N 3.31Å; V15-G17 PolarHBondContact O-N 3.34Å; V15-L18 PolarHBondContact O-N 2.59Å; V15-V19 HydrophobicContact CG1-CG2 4.37Å; V15-V19 WeakPolarHBondContact O-CB 3.39Å; V15-V19 VanDerWaalsContact O-CG2 3.29Å; V15-V19 WeakPolarHBondContact O-CG2 3.26Å; V15-V19 PolarHBondContact O-N 2.96Å
16M68.1Low64.9Low125 Ų12583.5 Ų83.562%0.61645%0.449SS*.Hα-helixtrans-62.9-38175.8-72.8-62.6-6800111.5A12 V19 L20A12-M16 WeakPolarHBondContact O-CB 3.38Å; A12-M16 WeakPolarHBondContact O-CG 3.27Å; A12-M16 PolarHBondContact O-N 3.5Å; M16-V19 PolarHBondContact O-N 3.41Å; M16-L20 WeakPolarHBondContact O-CB 3.43Å; M16-L20 PolarHBondContact O-N 3.36Å
17G68.6Low64.1Low28 Ų2881.7 Ų81.729%0.28944%0.442SS..Hα-helixtrans-61.5-45.7173.200000112L13 V14 V15 L20 I21L13-G17 PolarHBondContact O-N 3.47Å; V14-G17 PolarHBondContact O-N 2.9Å; V15-G17 VanDerWaalsContact C-N 3.31Å; V15-G17 PolarHBondContact O-N 3.34Å; G17-L20 PolarHBondContact O-N 2.94Å; G17-I21 WeakPolarHBondContact O-CB 3.34Å; G17-I21 WeakPolarHBondContact O-CD1 3.33Å; G17-I21 WeakPolarHBondContact O-CG1 3.48Å; G17-I21 PolarHBondContact O-N 3.47Å
18L63Low63.5Low74 Ų7487.1 Ų87.139%0.38747%0.468SS..Hα-helixtrans-64.1-45.5176.2-69.8170.9000111.9V14 V15 I21 C22 L269V14-L18 HydrophobicContact CG1-CD1 4.23Å; V14-L18 WeakPolarHBondContact O-CG 3.02Å; V14-L18 PolarHBondContact O-N 2.9Å; V15-L18 PolarHBondContact O-N 2.59Å; L18-I21 PolarHBondContact O-N 3.05Å; L18-C22 WeakPolarHBondContact O-CB 3.49Å; L18-C22 PolarHBondContact O-N 3.48Å; L18-C22 PolarHBondContact O-SG 3.5Å; L18-L269 HydrophobicContact CD1-CD1 4.32Å
19V68.9Low62.8Low75 Ų7587.3 Ų87.346%0.45548%0.477SS..Hα-helixtrans-62.1-45.6176.3171.40000110.4V15 M16 I21 C22 V23V15-V19 HydrophobicContact CG1-CG2 4.37Å; V15-V19 WeakPolarHBondContact O-CB 3.39Å; V15-V19 VanDerWaalsContact O-CG2 3.29Å; V15-V19 WeakPolarHBondContact O-CG2 3.26Å; V15-V19 PolarHBondContact O-N 2.96Å; M16-V19 PolarHBondContact O-N 3.41Å; V19-I21 PolarHBondContact O-N 3.02Å; V19-C22 WeakPolarHBondContact O-CB 3.27Å; V19-C22 PolarHBondContact O-N 3.08Å; V19-V23 HydrophobicContact CG1-CG2 4.2Å; V19-V23 VanDerWaalsContact O-CG2 3.27Å; V19-V23 WeakPolarHBondContact O-CG2 3.39Å; V19-V23 PolarHBondContact O-N 3.36Å
20L63.6Low61.8Low94 Ų9483.5 Ų83.549%0.49246%0.462SS..Hα-helixtrans-62.9-42.7178.6-169.673.9000111.1M16 G17 C22 V23 C24M16-L20 WeakPolarHBondContact O-CB 3.43Å; M16-L20 PolarHBondContact O-N 3.36Å; G17-L20 PolarHBondContact O-N 2.94Å; L20-C22 VanDerWaalsContact C-N 3.34Å; L20-C22 PolarHBondContact O-N 3.38Å; L20-V23 PolarHBondContact O-N 2.97Å; L20-C24 WeakPolarHBondContact O-CB 3.25Å; L20-C24 PolarHBondContact O-N 2.98Å; L20-C24 PolarHBondContact O-SG 3.2Å
21I64.6Low61.2Low117 Ų11781.2 Ų81.260%0.646%0.455SS*.Hα-helixtrans-59.9-46.1174-70.8163.5000110.4G17 L18 V19 S25G17-I21 WeakPolarHBondContact O-CB 3.34Å; G17-I21 WeakPolarHBondContact O-CD1 3.33Å; G17-I21 WeakPolarHBondContact O-CG1 3.48Å; G17-I21 PolarHBondContact O-N 3.47Å; L18-I21 PolarHBondContact O-N 3.05Å; V19-I21 PolarHBondContact O-N 3.02Å; I21-S25 WeakPolarHBondContact O-CB 3.31Å; I21-S25 PolarHBondContact O-N 3.22Å
22C55.7Low60.6Low81 Ų8180.8 Ų80.855%0.54746%0.464SS..Hα-helixtrans-61.4-44.9178-73.70000112.2L18 V19 L20 S25L18-C22 WeakPolarHBondContact O-CB 3.49Å; L18-C22 PolarHBondContact O-N 3.48Å; L18-C22 PolarHBondContact O-SG 3.5Å; V19-C22 WeakPolarHBondContact O-CB 3.27Å; V19-C22 PolarHBondContact O-N 3.08Å; L20-C22 VanDerWaalsContact C-N 3.34Å; L20-C22 PolarHBondContact O-N 3.38Å; C22-S25 PolarHBondContact O-N 3.37Å; C22-S25 PolarHBondContact O-OG 2.75Å
23V63.2Low59.8Low61 Ų6184.3 Ų84.337%0.3748%0.475SS..Hα-helixtrans-70.9-47.6179.7177.30000110.9V19 L20 S25 K26 T27 L30V19-V23 HydrophobicContact CG1-CG2 4.2Å; V19-V23 VanDerWaalsContact O-CG2 3.27Å; V19-V23 WeakPolarHBondContact O-CG2 3.39Å; V19-V23 PolarHBondContact O-N 3.36Å; L20-V23 PolarHBondContact O-N 2.97Å; V23-S25 PolarHBondContact O-N 2.97Å; V23-K26 PolarHBondContact O-N 2.95Å; V23-T27 PolarHBondContact O-N 3.35Å; V23-T27 PolarHBondContact O-OG1 3.5Å; V23-L30 HydrophobicContact CG1-CD1 3.69Å
24C56.3Low59.2Low18 Ų1882.3 Ų82.312%0.12247%0.473CS..Hα-helixtrans-59.4-29.2176-71.50000112.8L20 K26 L30L20-C24 WeakPolarHBondContact O-CB 3.25Å; L20-C24 PolarHBondContact O-N 2.98Å; L20-C24 PolarHBondContact O-SG 3.2Å; C24-K26 VanDerWaalsContact C-N 3.27Å; C24-K26 PolarHBondContact O-N 3.35Å; C24-L30 HydrophobicContact CB-CB 4.46Å
25S55Low58.8Low83 Ų8388.9 Ų88.958%0.5849%0.491SS*.Hα-helixtrans-67.2-29.2174.981.80000112.7I21 C22 V23I21-S25 WeakPolarHBondContact O-CB 3.31Å; I21-S25 PolarHBondContact O-N 3.22Å; C22-S25 PolarHBondContact O-N 3.37Å; C22-S25 PolarHBondContact O-OG 2.75Å; V23-S25 PolarHBondContact O-N 2.97Å
26K49.2Very low58.3Low164 Ų16487.3 Ų87.371%0.71349%0.486SS*.Hα-helixtrans-97.2-31.2-177.8-73.9-165.6174.4-170.60114V23 C24V23-K26 PolarHBondContact O-N 2.95Å; C24-K26 VanDerWaalsContact C-N 3.27Å; C24-K26 PolarHBondContact O-N 3.35Å
27T49.8Very low57.9Low57 Ų5782.6 Ų82.635%0.3547%0.47SS..  trans-102.7118.8-171.3-29.50000112.1V23 S29 L30V23-T27 PolarHBondContact O-N 3.35Å; V23-T27 PolarHBondContact O-OG1 3.5Å; T27-S29 VanDerWaalsContact C-N 3.3Å; T27-S29 PolarHBondContact O-N 3.34Å; T27-L30 PolarHBondContact O-N 3.49Å
28H54Low57.5Low158 Ų15883.9 Ų83.973%0.73148%0.478SS*.THydrogen-bonded Turntrans-66.2-25.3-174.9-148.9-83.4000114.1
29S53.7Low57.3Low96 Ų9686.8 Ų86.867%0.67149%0.489SS*.THydrogen-bonded Turntrans-76.5-33177.574.40000113.1T27 K31 G32T27-S29 VanDerWaalsContact C-N 3.3Å; T27-S29 PolarHBondContact O-N 3.34Å; S29-K31 VanDerWaalsContact C-N 3.31Å; S29-K31 PolarHBondContact O-N 3.3Å; S29-G32 PolarHBondContact O-N 2.87Å
30L51.9Low57Low45 Ų4588.9 Ų88.924%0.23650%0.497CS..Hα-helixtrans-76.2-17.9179.5-88.3156.3000113.3V23 C24 T27 G32 L33 A34V23-L30 HydrophobicContact CG1-CD1 3.69Å; C24-L30 HydrophobicContact CB-CB 4.46Å; T27-L30 PolarHBondContact O-N 3.49Å; L30-G32 PolarHBondContact O-N 3.48Å; L30-L33 HydrophobicContact CD2-CB 4.38Å; L30-L33 HydrophobicContact CD2-CD2 3.93Å; L30-L33 PolarHBondContact O-N 2.88Å; L30-A34 PolarHBondContact O-N 3.47Å
31K54.3Low56.6Low109 Ų10990.9 Ų90.947%0.47450%0.502SS..Hα-helixtrans-57.4-32.4166.4-74.5-176.6179.1176.20112S29 R35S29-K31 VanDerWaalsContact C-N 3.31Å; S29-K31 PolarHBondContact O-N 3.3Å; K31-R35 WeakPolarHBondContact O-CB 3.36Å; K31-R35 PolarHBondContact O-N 2.87Å
32G57.4Low56.4Low45 Ų4587.8 Ų87.846%0.46449%0.491SS..Hα-helixtrans-65.5-42.3175.500000112.8S29 L30 R35 G36S29-G32 PolarHBondContact O-N 2.87Å; L30-G32 PolarHBondContact O-N 3.48Å; G32-R35 WeakPolarHBondContact O-CB 3.28Å; G32-R35 PolarHBondContact O-N 3.25Å; G32-G36 PolarHBondContact O-N 3.23Å
33L55.9Low56.6Low123 Ų12389.5 Ų89.564%0.64450%0.502SS*.Hα-helixtrans-67.6-42.3177-165.974.8000111.7L30 R35 G36 G37L30-L33 HydrophobicContact CD2-CB 4.38Å; L30-L33 HydrophobicContact CD2-CD2 3.93Å; L30-L33 PolarHBondContact O-N 2.88Å; L33-R35 VanDerWaalsContact C-N 3.28Å; L33-R35 PolarHBondContact O-N 2.9Å; L33-G36 PolarHBondContact O-N 3.38Å; L33-G37 PolarHBondContact O-N 3.04Å
34A55.7Low56.9Low54 Ų5492 Ų9245%0.44652%0.517SS..Hα-helixtrans-62.4-35.6173.100000112.2L30 G37 A38L30-A34 PolarHBondContact O-N 3.47Å; A34-G37 PolarHBondContact O-N 3.17Å; A34-A38 WeakPolarHBondContact O-CB 3.45Å; A34-A38 PolarHBondContact O-N 3.29Å
35R56.8Low57.6Low199 Ų19993.4 Ų93.475%0.75152%0.523SS*.Hα-helixtrans-67.8-39.3174.2-138.5175.7-169.4-175.71.3112K31 G32 L33 A38 Q39K31-R35 WeakPolarHBondContact O-CB 3.36Å; K31-R35 PolarHBondContact O-N 2.87Å; G32-R35 WeakPolarHBondContact O-CB 3.28Å; G32-R35 PolarHBondContact O-N 3.25Å; L33-R35 VanDerWaalsContact C-N 3.28Å; L33-R35 PolarHBondContact O-N 2.9Å; R35-A38 PolarHBondContact O-N 2.91Å; R35-Q39 PolarHBondContact O-N 3.44Å
36G59Low58.9Low27 Ų2793.4 Ų93.428%0.27852%0.521SS..Hα-helixtrans-65.2-42.1173.300000112.6G32 L33 Q39 I40G32-G36 PolarHBondContact O-N 3.23Å; L33-G36 PolarHBondContact O-N 3.38Å; G36-Q39 WeakPolarHBondContact O-CB 3.5Å; G36-Q39 PolarHBondContact O-N 2.92Å; G36-I40 WeakPolarHBondContact O-CG1 3.4Å; G36-I40 PolarHBondContact O-N 3.46Å; G36-I40 VanDerWaalsContact O-N 3.12Å
37G60.3Low60.4Low26 Ų2692.3 Ų92.327%0.26852%0.519SS..Hα-helixtrans-61.2-44171.800000112.3L33 A34 Q39 I40 F41L33-G37 PolarHBondContact O-N 3.04Å; A34-G37 PolarHBondContact O-N 3.17Å; G37-Q39 VanDerWaalsContact C-N 3.29Å; G37-Q39 PolarHBondContact O-N 3.32Å; G37-I40 PolarHBondContact O-N 3.32Å; G37-I40 VanDerWaalsContact O-N 3.14Å; G37-F41 WeakPolarHBondContact O-CD2 3.02Å; G37-F41 PolarHBondContact O-N 2.86Å
38A59.3Low61.7Low55 Ų5594 Ų9446%0.45553%0.532SS..Hα-helixtrans-62.3-33.6175.300000113.1A34 R35 F41 S42A34-A38 WeakPolarHBondContact O-CB 3.45Å; A34-A38 PolarHBondContact O-N 3.29Å; R35-A38 PolarHBondContact O-N 2.91Å; A38-F41 PolarHBondContact O-N 3.25Å; A38-S42 PolarHBondContact O-N 2.84Å
39Q58.5Low62.9Low135 Ų13590.8 Ų90.863%0.63152%0.52SS*.Hα-helixtrans-65.6-39.9172.2-94.6174.8-3800112.4R35 G36 G37 S42 C43R35-Q39 PolarHBondContact O-N 3.44Å; G36-Q39 WeakPolarHBondContact O-CB 3.5Å; G36-Q39 PolarHBondContact O-N 2.92Å; G37-Q39 VanDerWaalsContact C-N 3.29Å; G37-Q39 PolarHBondContact O-N 3.32Å; Q39-S42 WeakPolarHBondContact CA-OG 3.42Å; Q39-S42 PolarHBondContact O-N 2.79Å; Q39-S42 PolarHBondContact O-OG 3.36Å; Q39-C43 PolarHBondContact O-N 3.25Å
40I62Low64Low120 Ų12090.9 Ų90.962%0.61551%0.51SS*.Hα-helixtrans-65.6-43.7175.7-64.1165.7000110.5G36 G37 S42 C43G36-I40 WeakPolarHBondContact O-CG1 3.4Å; G36-I40 PolarHBondContact O-N 3.46Å; G36-I40 VanDerWaalsContact O-N 3.12Å; G37-I40 PolarHBondContact O-N 3.32Å; G37-I40 VanDerWaalsContact O-N 3.14Å; I40-S42 VanDerWaalsContact C-N 3.27Å; I40-S42 PolarHBondContact O-N 2.94Å; I40-C43 WeakPolarHBondContact O-CB 3.05Å; I40-C43 PolarHBondContact O-N 3.09Å; I40-C43 VanDerWaalsContact O-N 3.14Å
41F57.2Low65.6Low135 Ų13596.8 Ų96.859%0.59253%0.529SS*.Hα-helixtrans-62.7-32.5175.1-80.2-71.2000112.9G37 A38 C43 V44 I45G37-F41 WeakPolarHBondContact O-CD2 3.02Å; G37-F41 PolarHBondContact O-N 2.86Å; A38-F41 PolarHBondContact O-N 3.25Å; F41-C43 VanDerWaalsContact C-N 3.25Å; F41-C43 PolarHBondContact O-N 3.46Å; F41-V44 PolarHBondContact O-N 3.37Å; F41-V44 VanDerWaalsContact O-N 3.16Å; F41-I45 HydrophobicContact CB-CD1 4.37Å; F41-I45 HydrophobicContact CD1-CD1 4.21Å; F41-I45 WeakPolarHBondContact O-CB 3.48Å; F41-I45 WeakPolarHBondContact O-CG1 3.26Å; F41-I45 PolarHBondContact O-N 3.47Å
42S58.9Low67.1Low53 Ų5393.8 Ų93.837%0.37152%0.524SS..Hα-helixtrans-68.8-19.3175.865.70000114.4A38 Q39 I40A38-S42 PolarHBondContact O-N 2.84Å; Q39-S42 WeakPolarHBondContact CA-OG 3.42Å; Q39-S42 PolarHBondContact O-N 2.79Å; Q39-S42 PolarHBondContact O-OG 3.36Å; I40-S42 VanDerWaalsContact C-N 3.27Å; I40-S42 PolarHBondContact O-N 2.94Å
43C60.4Low68.1Low116 Ų11696 Ų9678%0.78452%0.524SS*.Hα-helixtrans-79.3-19.3172.4-66.80000113Q39 I40 F41Q39-C43 PolarHBondContact O-N 3.25Å; I40-C43 WeakPolarHBondContact O-CB 3.05Å; I40-C43 PolarHBondContact O-N 3.09Å; I40-C43 VanDerWaalsContact O-N 3.14Å; F41-C43 VanDerWaalsContact C-N 3.25Å; F41-C43 PolarHBondContact O-N 3.46Å
44V69.7Low69.3Low114 Ų11496.4 Ų96.469%0.69152%0.522SS*.Hα-helixtrans-104.4-33.4-174.7-178.40000111.8F41F41-V44 PolarHBondContact O-N 3.37Å; F41-V44 VanDerWaalsContact O-N 3.16Å
45I69.7Low70.7Confident47 Ų47103.4 Ų103.424%0.24154%0.537CS..SBendtrans-97.7122.3-175.4-61.3177.3000109.2F41 E47 L49 Q50F41-I45 HydrophobicContact CB-CD1 4.37Å; F41-I45 HydrophobicContact CD1-CD1 4.21Å; F41-I45 WeakPolarHBondContact O-CB 3.48Å; F41-I45 WeakPolarHBondContact O-CG1 3.26Å; F41-I45 PolarHBondContact O-N 3.47Å; I45-E47 PolarHBondContact O-N 2.89Å; I45-L49 HydrophobicContact CG2-CB 3.86Å; I45-L49 HydrophobicContact CG2-CD2 3.86Å; I45-L49 HydrophobicContact CG2-CG 3.8Å; I45-Q50 HydrophobicContact CG2-CB 4.38Å
46P83.8Confident71.9Confident84 Ų8497 Ų9755%0.54552%0.522SS..  trans-54.1140176.6-25.332.9000112.2C48 L49 Q50P46-C48 PolarHBondContact O-N 3.24Å; P46-L49 HydrophobicContact CB-CB 4.46Å; P46-L49 WeakPolarHBondContact O-CA 3.38Å; P46-L49 WeakPolarHBondContact O-CB 3.3Å; P46-L49 PolarHBondContact O-N 3.42Å; P46-Q50 PolarHBondContact O-N 3.39Å
47E79.5Confident72.9Confident140 Ų14099.8 Ų99.865%0.65453%0.53SS*.Hα-helixtrans-55-30.8-178.6-67.9-171.7168.200113.5I45 R51I45-E47 PolarHBondContact O-N 2.89Å; E47-R51 WeakPolarHBondContact O-CB 3.35Å; E47-R51 WeakPolarHBondContact O-CG 3.39Å; E47-R51 PolarHBondContact O-N 2.81Å; E47-R51 PolarHBondContact O-NE 2.87Å
48C78.4Confident74.1Confident94 Ų94103.1 Ų103.164%0.63554%0.539SS*.Hα-helixtrans-65-43.6175-172.90000111.5P46 R51 A52P46-C48 PolarHBondContact O-N 3.24Å; C48-R51 PolarHBondContact O-N 3.08Å; C48-A52 WeakPolarHBondContact O-CB 3.31Å; C48-A52 PolarHBondContact O-N 2.99Å
49L79.1Confident75.3Confident90 Ų90106.7 Ų106.747%0.47154%0.542SS..Hα-helixtrans-68.2-40.8177.2-17856.3000110.5I45 P46 R51 A52 M53I45-L49 HydrophobicContact CG2-CB 3.86Å; I45-L49 HydrophobicContact CG2-CD2 3.86Å; I45-L49 HydrophobicContact CG2-CG 3.8Å; P46-L49 HydrophobicContact CB-CB 4.46Å; P46-L49 WeakPolarHBondContact O-CA 3.38Å; P46-L49 WeakPolarHBondContact O-CB 3.3Å; P46-L49 PolarHBondContact O-N 3.42Å; L49-R51 PolarHBondContact O-N 2.87Å; L49-A52 PolarHBondContact O-N 3.25Å; L49-M53 HydrophobicContact CD1-CG 4.16Å; L49-M53 HydrophobicContact CD1-SD 4.4Å; L49-M53 HydrophobicContact CG-CG 4.4Å; L49-M53 HydrophobicContact CG-SD 4.12Å; L49-M53 WeakPolarHBondContact O-CB 3.41Å; L49-M53 VanDerWaalsContact O-CG 3.23Å; L49-M53 WeakPolarHBondContact O-CG 3.18Å; L49-M53 PolarHBondContact O-N 3.39Å
50Q77Confident76.5Confident97 Ų97102.6 Ų102.645%0.45352%0.524SS..Hα-helixtrans-61.2-43.9175.4-171.6178.6-6.200112.2I45 P46 M53 H54I45-Q50 HydrophobicContact CG2-CB 4.38Å; P46-Q50 PolarHBondContact O-N 3.39Å; Q50-M53 PolarHBondContact O-N 3.44Å; Q50-H54 WeakPolarHBondContact O-CB 3.34Å; Q50-H54 PolarHBondContact O-N 2.91Å
51R84.1Confident77.5Confident170 Ų170101.4 Ų101.464%0.64251%0.514SS*.Hα-helixtrans-64.4-42.9174.9-79.6-175.6-81.6167.7-11.6112.2E47 C48 L49 H54 R55E47-R51 WeakPolarHBondContact O-CB 3.35Å; E47-R51 WeakPolarHBondContact O-CG 3.39Å; E47-R51 PolarHBondContact O-N 2.81Å; E47-R51 PolarHBondContact O-NE 2.87Å; C48-R51 PolarHBondContact O-N 3.08Å; L49-R51 PolarHBondContact O-N 2.87Å; R51-H54 PolarHBondContact O-N 2.83Å; R51-R55 WeakPolarHBondContact O-CB 3.36Å; R51-R55 PolarHBondContact O-N 2.86Å
52A85.6Confident78.9Confident46 Ų46100.3 Ų100.338%0.3851%0.511SS..Hα-helixtrans-63.4-44.117700000111.7C48 L49 R55 S56C48-A52 WeakPolarHBondContact O-CB 3.31Å; C48-A52 PolarHBondContact O-N 2.99Å; L49-A52 PolarHBondContact O-N 3.25Å; A52-R55 PolarHBondContact O-N 3.05Å; A52-S56 VanDerWaalsContact O-CB 3.3Å; A52-S56 WeakPolarHBondContact O-CB 3.24Å; A52-S56 PolarHBondContact O-N 3.36Å; A52-S56 PolarHBondContact O-OG 3.22Å
53M78.6Confident80.3Confident91 Ų9199.9 Ų99.945%0.44851%0.506SS..Hα-helixtrans-61.4-47.7174.4-73.7177.572.100111.2L49 Q50 R55 S56 L57L49-M53 HydrophobicContact CD1-CG 4.16Å; L49-M53 HydrophobicContact CD1-SD 4.4Å; L49-M53 HydrophobicContact CG-CG 4.4Å; L49-M53 HydrophobicContact CG-SD 4.12Å; L49-M53 WeakPolarHBondContact O-CB 3.41Å; L49-M53 VanDerWaalsContact O-CG 3.23Å; L49-M53 WeakPolarHBondContact O-CG 3.18Å; L49-M53 PolarHBondContact O-N 3.39Å; Q50-M53 PolarHBondContact O-N 3.44Å; M53-R55 PolarHBondContact O-N 2.89Å; M53-S56 PolarHBondContact O-N 3.32Å; M53-L57 WeakPolarHBondContact O-CB 3.32Å; M53-L57 VanDerWaalsContact O-CG 3.28Å; M53-L57 WeakPolarHBondContact O-CG 3.36Å; M53-L57 PolarHBondContact O-N 3.46Å
54H81.8Confident81.8Confident131 Ų13198.9 Ų98.961%0.60649%0.486SS*.Hα-helixtrans-62.1-43.7179-17269.9000112Q50 R51 S56 L57 H58Q50-H54 WeakPolarHBondContact O-CB 3.34Å; Q50-H54 PolarHBondContact O-N 2.91Å; R51-H54 PolarHBondContact O-N 2.83Å; H54-S56 VanDerWaalsContact C-N 3.34Å; H54-S56 PolarHBondContact O-N 2.85Å; H54-L57 PolarHBondContact O-N 3.01Å; H54-H58 VanDerWaalsContact O-CB 3.29Å; H54-H58 WeakPolarHBondContact O-CB 3.31Å; H54-H58 PolarHBondContact O-N 3.39Å
55R85.5Confident82.8Confident202 Ų20294 Ų9476%0.76246%0.456SS*.Hα-helixtrans-62.3-42.3175.4-174.4-177.6-72.7-179.9-3.6111.5R51 A52 M53 H58 Y59R51-R55 WeakPolarHBondContact O-CB 3.36Å; R51-R55 PolarHBondContact O-N 2.86Å; A52-R55 PolarHBondContact O-N 3.05Å; M53-R55 PolarHBondContact O-N 2.89Å; R55-H58 PolarHBondContact O-N 2.9Å; R55-Y59 WeakPolarHBondContact O-CB 3.5Å; R55-Y59 PolarHBondContact O-N 3.43Å
56S81.9Confident83.9Confident64 Ų6498 Ų9845%0.44847%0.473SS..Hα-helixtrans-66.3-46.2179-57.70000111.4A52 M53 H54 H58 Y59 L60A52-S56 VanDerWaalsContact O-CB 3.3Å; A52-S56 WeakPolarHBondContact O-CB 3.24Å; A52-S56 PolarHBondContact O-N 3.36Å; A52-S56 PolarHBondContact O-OG 3.22Å; M53-S56 PolarHBondContact O-N 3.32Å; H54-S56 VanDerWaalsContact C-N 3.34Å; H54-S56 PolarHBondContact O-N 2.85Å; S56-H58 VanDerWaalsContact C-N 3.34Å; S56-H58 PolarHBondContact O-N 3.21Å; S56-Y59 PolarHBondContact O-N 3.47Å; S56-L60 WeakPolarHBondContact O-CB 3.2Å; S56-L60 WeakPolarHBondContact O-CG 3.38Å; S56-L60 PolarHBondContact O-N 3.04Å
57L79.9Confident84.3Confident85 Ų8597.2 Ų97.245%0.44547%0.467SS..Hα-helixtrans-61.3-43174.6-70.5172.3000111.2M53 H54 L60 F61M53-L57 WeakPolarHBondContact O-CB 3.32Å; M53-L57 VanDerWaalsContact O-CG 3.28Å; M53-L57 WeakPolarHBondContact O-CG 3.36Å; M53-L57 PolarHBondContact O-N 3.46Å; H54-L57 PolarHBondContact O-N 3.01Å; L57-L60 PolarHBondContact O-N 3.42Å; L57-F61 HydrophobicContact CD2-CD2 4.18Å; L57-F61 HydrophobicContact CD2-CE2 3.76Å; L57-F61 WeakPolarHBondContact O-CD2 3.34Å; L57-F61 PolarHBondContact O-N 3.21Å
58H85.1Confident84.8Confident97 Ų9791.5 Ų91.545%0.44944%0.44SS..Hα-helixtrans-61.8-46.6176.3-175.3-79.2000111.6H54 R55 S56 L60 H62H54-H58 VanDerWaalsContact O-CB 3.29Å; H54-H58 WeakPolarHBondContact O-CB 3.31Å; H54-H58 PolarHBondContact O-N 3.39Å; R55-H58 PolarHBondContact O-N 2.9Å; S56-H58 VanDerWaalsContact C-N 3.34Å; S56-H58 PolarHBondContact O-N 3.21Å; H58-L60 PolarHBondContact O-N 3.01Å; H58-H62 AromaticContact CD2-CD2 3.87Å; H58-H62 WeakPolarHBondContact O-CA 3.33Å; H58-H62 VanDerWaalsContact O-CB 3.27Å; H58-H62 WeakPolarHBondContact O-CB 3.37Å; H58-H62 PolarHBondContact O-N 3.36Å
59Y84.9Confident85.6Confident130 Ų13088.2 Ų88.251%0.5142%0.416SS..Hα-helixtrans-58.3-47.9174.5177.9-102.2000111.5R55 S56 T63 N65R55-Y59 WeakPolarHBondContact O-CB 3.5Å; R55-Y59 PolarHBondContact O-N 3.43Å; S56-Y59 PolarHBondContact O-N 3.47Å; Y59-T63 WeakPolarHBondContact CD2-OG1 3.38Å; Y59-T63 PolarHBondContact O-N 3.13Å; Y59-T63 PolarHBondContact O-OG1 3.36Å; Y59-N65 HydrophobicContact CE1-CB 4.23Å; Y59-N65 PolarHBondContact O-ND2 3.23Å
60L82.6Confident86.4Confident48 Ų4887.9 Ų87.925%0.25142%0.417SS..Hα-helixtrans-63.8-47.2-177.5-74.1172.8000113S56 L57 H58 N65 T67 F68S56-L60 WeakPolarHBondContact O-CB 3.2Å; S56-L60 WeakPolarHBondContact O-CG 3.38Å; S56-L60 PolarHBondContact O-N 3.04Å; L57-L60 PolarHBondContact O-N 3.42Å; H58-L60 PolarHBondContact O-N 3.01Å; L60-N65 WeakPolarHBondContact CA-ND2 3.38Å; L60-N65 PolarHBondContact O-ND2 3.49Å; L60-T67 HydrophobicContact CD2-CG2 3.89Å; L60-F68 HydrophobicContact CB-CE2 4.01Å; L60-F68 HydrophobicContact CD2-CE2 4.44Å; L60-F68 WeakPolarHBondContact O-CE2 3.45Å
61F84.2Confident87Confident95 Ų9587.4 Ų87.442%0.41742%0.417SS..Hα-helixtrans-98.6-23.5-170.5-70-78.3000114.9L57 F68L57-F61 HydrophobicContact CD2-CD2 4.18Å; L57-F61 HydrophobicContact CD2-CE2 3.76Å; L57-F61 WeakPolarHBondContact O-CD2 3.34Å; L57-F61 PolarHBondContact O-N 3.21Å; F61-F68 HydrophobicContact CD1-CE2 4.38Å; F61-F68 HydrophobicContact CD1-CZ 4.07Å; F61-F68 HydrophobicContact CE1-CE1 4.22Å; F61-F68 HydrophobicContact CE1-CE2 4.29Å; F61-F68 AromaticContact CE1-CZ 3.54Å; F61-F68 HydrophobicContact CE1-CZ 3.54Å; F61-F68 HydrophobicContact CE2-CZ 4.3Å; F61-F68 HydrophobicContact CZ-CE1 4.41Å; F61-F68 AromaticContact CZ-CZ 3.68Å; F61-F68 HydrophobicContact CZ-CZ 3.68Å
62H86Confident87.5Confident112 Ų11280 Ų8052%0.51939%0.39SS..Hα-helixtrans-114.32.1-174.1-63.1-72000114H58H58-H62 AromaticContact CD2-CD2 3.87Å; H58-H62 WeakPolarHBondContact O-CA 3.33Å; H58-H62 VanDerWaalsContact O-CB 3.27Å; H58-H62 WeakPolarHBondContact O-CB 3.37Å; H58-H62 PolarHBondContact O-N 3.36Å
63T88.3Confident88Confident44 Ų4481.4 Ų81.427%0.2739%0.391SS..SBendtrans-126.9157.8171.878.20000110.8Y59 N65Y59-T63 WeakPolarHBondContact CD2-OG1 3.38Å; Y59-T63 PolarHBondContact O-N 3.13Å; Y59-T63 PolarHBondContact O-OG1 3.36Å; T63-N65 PolarHBondContact O-N 2.84Å; T63-N65 PolarHBondContact O-ND2 3.43Å; T63-N65 VanDerWaalsContact O-ND2 3.15Å
64R91.4Very high88.7Confident96 Ų9680.6 Ų80.636%0.36239%0.391SS..  trans-75.2120.9174.8-66.2-168.569.7169.21.1110V167 N183R64-V167 HydrophobicContact CG-CG1 3.91Å; R64-N183 WeakPolarHBondContact CA-OD1 3.37Å; R64-N183 WeakPolarHBondContact CB-OD1 3.39Å; R64-N183 PolarHBondContact NE-OD1 2.76Å; R64-N183 PolarHBondContact NH2-O 2.86Å
65N91.2Very high89.1Confident11 Ų1177 Ų776%0.05938%0.376CS..  trans-148.2153.5174.863.576.7000109.3Y59 L60 T63 T67 N183Y59-N65 HydrophobicContact CE1-CB 4.23Å; Y59-N65 PolarHBondContact O-ND2 3.23Å; L60-N65 WeakPolarHBondContact CA-ND2 3.38Å; L60-N65 PolarHBondContact O-ND2 3.49Å; T63-N65 PolarHBondContact O-N 2.84Å; T63-N65 PolarHBondContact O-ND2 3.43Å; T63-N65 VanDerWaalsContact O-ND2 3.15Å; N65-T67 VanDerWaalsContact C-N 3.26Å; N65-T67 PolarHBondContact O-N 3.48Å; N65-T67 WeakPolarHBondContact OD1-CB 3.43Å; N65-T67 PolarHBondContact OD1-N 3.32Å; N65-T67 PolarHBondContact OD1-OG1 2.86Å; N65-T67 VanDerWaalsContact OD1-OG1 3.13Å; N65-N183 PolarHBondContact N-OD1 3.45Å; N65-N183 PolarHBondContact O-ND2 3.13Å
66H93.4Very high89.5Confident130 Ų13068.1 Ų68.160%0.60234%0.343SS*.SBendtrans-84.40.6179.9-68-74.6000113.4F68 I69 V70H66-F68 VanDerWaalsContact C-N 3.35Å; H66-F68 PolarHBondContact O-N 2.86Å; H66-I69 WeakPolarHBondContact O-CB 3.46Å; H66-I69 PolarHBondContact O-N 3.09Å; H66-I69 VanDerWaalsContact O-N 3.11Å; H66-V70 PolarHBondContact O-N 3.21Å
67T91.1Very high90.1Very high69 Ų6966.8 Ų66.842%0.42334%0.339SS..Hα-helixtrans-57.1-46.1-173.8-50.10000111.9L60 N65 I69 V70 L71L60-T67 HydrophobicContact CD2-CG2 3.89Å; N65-T67 VanDerWaalsContact C-N 3.26Å; N65-T67 PolarHBondContact O-N 3.48Å; N65-T67 WeakPolarHBondContact OD1-CB 3.43Å; N65-T67 PolarHBondContact OD1-N 3.32Å; N65-T67 PolarHBondContact OD1-OG1 2.86Å; N65-T67 VanDerWaalsContact OD1-OG1 3.13Å; T67-I69 PolarHBondContact O-N 3.11Å; T67-V70 PolarHBondContact O-N 3Å; T67-L71 VanDerWaalsContact O-CB 3.28Å; T67-L71 WeakPolarHBondContact O-CB 3.44Å; T67-L71 PolarHBondContact O-N 3.48Å
68F91.1Very high90.7Very high19 Ų1967.6 Ų67.68%0.08334%0.342CS..Hα-helixtrans-69.5-30.2179.6-78.8-81.3000113.6L60 F61 H66 L71 H72 V180 W181L60-F68 HydrophobicContact CB-CE2 4.01Å; L60-F68 HydrophobicContact CD2-CE2 4.44Å; L60-F68 WeakPolarHBondContact O-CE2 3.45Å; F61-F68 HydrophobicContact CD1-CE2 4.38Å; F61-F68 HydrophobicContact CD1-CZ 4.07Å; F61-F68 HydrophobicContact CE1-CE1 4.22Å; F61-F68 HydrophobicContact CE1-CE2 4.29Å; F61-F68 AromaticContact CE1-CZ 3.54Å; F61-F68 HydrophobicContact CE1-CZ 3.54Å; F61-F68 HydrophobicContact CE2-CZ 4.3Å; F61-F68 HydrophobicContact CZ-CE1 4.41Å; F61-F68 AromaticContact CZ-CZ 3.68Å; F61-F68 HydrophobicContact CZ-CZ 3.68Å; H66-F68 VanDerWaalsContact C-N 3.35Å; H66-F68 PolarHBondContact O-N 2.86Å; F68-L71 HydrophobicContact CD1-CD2 4.43Å; F68-H72 WeakPolarHBondContact O-CB 3.33Å; F68-H72 PolarHBondContact O-N 3.3Å; F68-V180 WeakPolarHBondContact CB-O 3.44Å; F68-V180 HydrophobicContact CD1-CG2 4.38Å; F68-V180 HydrophobicContact CD2-CB 4.06Å; F68-V180 HydrophobicContact CD2-CG2 4.28Å; F68-V180 HydrophobicContact CE1-CG2 4.5Å; F68-V180 HydrophobicContact CE2-CB 4.38Å; F68-V180 HydrophobicContact CE2-CG2 4.39Å; F68-V180 HydrophobicContact CG-CB 4.35Å; F68-V180 HydrophobicContact CG-CG2 4.27Å; F68-W181 HydrophobicContact CB-CE3 4.29Å; F68-W181 HydrophobicContact CD1-CD2 4.12Å; F68-W181 AromaticContact CD1-CE3 3.89Å; F68-W181 HydrophobicContact CD1-CE3 3.89Å; F68-W181 HydrophobicContact CD1-CH2 4.03Å; F68-W181 HydrophobicContact CD1-CZ2 4.22Å; F68-W181 AromaticContact CD1-CZ3 3.86Å; F68-W181 HydrophobicContact CD1-CZ3 3.86Å; F68-W181 HydrophobicContact CE1-CH2 4.34Å; F68-W181 HydrophobicContact CE1-CZ2 4.34Å
69I95.3Very high91.2Very high25 Ų2564 Ų6413%0.12833%0.327CS..Hα-helixtrans-66.3-49.5173.4-69.5173.7000109.5H66 T67 L71 H72 L73 F115 W181 N183H66-I69 WeakPolarHBondContact O-CB 3.46Å; H66-I69 PolarHBondContact O-N 3.09Å; H66-I69 VanDerWaalsContact O-N 3.11Å; T67-I69 PolarHBondContact O-N 3.11Å; I69-L71 VanDerWaalsContact C-N 3.35Å; I69-L71 PolarHBondContact O-N 3.38Å; I69-H72 PolarHBondContact O-N 2.98Å; I69-L73 HydrophobicContact CG2-CD1 4.02Å; I69-L73 WeakPolarHBondContact O-CG 3.41Å; I69-L73 PolarHBondContact O-N 2.91Å; I69-F115 HydrophobicContact CB-CZ 4.45Å; I69-F115 HydrophobicContact CG1-CZ 4.2Å; I69-F115 HydrophobicContact CG2-CE1 4.07Å; I69-F115 HydrophobicContact CG2-CZ 4.07Å; I69-W181 WeakPolarHBondContact CG1-O 3.34Å; I69-N183 HydrophobicContact CD1-CB 3.55Å; I69-N183 HydrophobicContact CG1-CB 4.16Å
70V95.3Very high91.7Very high84 Ų8458.5 Ų58.551%0.50931%0.305SS..Hα-helixtrans-61.1-46.7178.3175.30000110.3H66 T67 H72 L73 V74H66-V70 PolarHBondContact O-N 3.21Å; T67-V70 PolarHBondContact O-N 3Å; V70-H72 VanDerWaalsContact C-N 3.31Å; V70-H72 PolarHBondContact O-N 3.39Å; V70-L73 PolarHBondContact O-N 3.49Å; V70-V74 HydrophobicContact CG1-CG2 4.17Å; V70-V74 WeakPolarHBondContact O-CB 3.17Å; V70-V74 VanDerWaalsContact O-CG2 3.26Å; V70-V74 WeakPolarHBondContact O-CG2 3.28Å; V70-V74 PolarHBondContact O-N 3.35Å
71L90.6Very high92.2Very high86 Ų8660.3 Ų60.345%0.4532%0.318SS..Hα-helixtrans-57.6-44.2176.817962.8000111.7T67 F68 I69 L75 W181T67-L71 VanDerWaalsContact O-CB 3.28Å; T67-L71 WeakPolarHBondContact O-CB 3.44Å; T67-L71 PolarHBondContact O-N 3.48Å; F68-L71 HydrophobicContact CD1-CD2 4.43Å; I69-L71 VanDerWaalsContact C-N 3.35Å; I69-L71 PolarHBondContact O-N 3.38Å; L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 PolarHBondContact O-N 2.96Å; L71-W181 HydrophobicContact CD2-CH2 4.4Å; L71-W181 HydrophobicContact CD2-CZ3 4.26Å
72H93.3Very high92.6Very high15 Ų1558.3 Ų58.37%0.06931%0.31CS..Hα-helixtrans-61.4-49.5177.6-18069.2000111.9F68 I69 V70 V74 L75 Q76 F115 W181 Y197F68-H72 WeakPolarHBondContact O-CB 3.33Å; F68-H72 PolarHBondContact O-N 3.3Å; I69-H72 PolarHBondContact O-N 2.98Å; V70-H72 VanDerWaalsContact C-N 3.31Å; V70-H72 PolarHBondContact O-N 3.39Å; H72-V74 PolarHBondContact O-N 2.93Å; H72-L75 PolarHBondContact O-N 3.37Å; H72-Q76 WeakPolarHBondContact O-CB 3.46Å; H72-Q76 PolarHBondContact O-N 3.26Å; H72-F115 AromaticContact CD2-CD2 3.92Å; H72-F115 AromaticContact CD2-CE2 3.49Å; H72-F115 VanDerWaalsContact CD2-CE2 3.49Å; H72-F115 WeakPolarHBondContact CD2-CE2 3.37Å; H72-F115 AromaticContact CD2-CZ 3.6Å; H72-F115 AromaticContact NE2-CD2 3.94Å; H72-F115 AromaticContact NE2-CE2 3.94Å; H72-W181 HydrophobicContact CB-CE3 4.18Å; H72-W181 HydrophobicContact CB-CZ3 4.49Å; H72-Y197 PolarHBondContact CE1-OH 3.25Å; H72-Y197 AromaticContact NE2-CE2 3.67Å; H72-Y197 PolarHBondContact NE2-OH 3.08Å
73L96.1Very high93Very high75 Ų7553 Ų5339%0.39329%0.286SS..Hα-helixtrans-64.7-39179.9-66.9174.4000112.2I69 V70 G77 L112 F115I69-L73 HydrophobicContact CG2-CD1 4.02Å; I69-L73 WeakPolarHBondContact O-CG 3.41Å; I69-L73 PolarHBondContact O-N 2.91Å; V70-L73 PolarHBondContact O-N 3.49Å; L73-G77 PolarHBondContact O-N 3.48Å; L73-L112 HydrophobicContact CD2-CD2 3.88Å; L73-F115 HydrophobicContact CD2-CD1 4.27Å; L73-F115 HydrophobicContact CD2-CE1 4Å; L73-F115 HydrophobicContact CG-CE1 4.29Å
74V93.6Very high93.3Very high74 Ų7454 Ų5445%0.44829%0.292SS..Hα-helixtrans-65.4-46.4176168.40000110.7V70 H72 Q76 G77 M78V70-V74 HydrophobicContact CG1-CG2 4.17Å; V70-V74 WeakPolarHBondContact O-CB 3.17Å; V70-V74 VanDerWaalsContact O-CG2 3.26Å; V70-V74 WeakPolarHBondContact O-CG2 3.28Å; V70-V74 PolarHBondContact O-N 3.35Å; H72-V74 PolarHBondContact O-N 2.93Å; V74-Q76 PolarHBondContact O-N 2.9Å; V74-G77 PolarHBondContact O-N 3.06Å; V74-M78 HydrophobicContact CG1-CE 3.86Å; V74-M78 HydrophobicContact CG1-SD 4.32Å; V74-M78 WeakPolarHBondContact O-CG 3.5Å; V74-M78 PolarHBondContact O-N 3.4Å
75L90.2Very high93.4Very high57 Ų5758.4 Ų58.430%0.29831%0.309SS..Hα-helixtrans-61.6-44.3177.3-179.960.5000111.9L71 H72 M78 V79 F262L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 PolarHBondContact O-N 2.96Å; H72-L75 PolarHBondContact O-N 3.37Å; L75-M78 HydrophobicContact CB-CE 4.48Å; L75-M78 HydrophobicContact CD1-CE 4.19Å; L75-M78 PolarHBondContact O-N 3.2Å; L75-V79 WeakPolarHBondContact O-CG2 3.49Å; L75-V79 PolarHBondContact O-N 3.41Å; L75-F262 HydrophobicContact CD1-CE1 4.17Å; L75-F262 HydrophobicContact CD1-CZ 3.86Å; L75-F262 HydrophobicContact CD2-CZ 3.96Å; L75-F262 HydrophobicContact CG-CZ 4.2Å
76Q94.9Very high93.3Very high15 Ų1559.2 Ų59.27%0.0731%0.312CS..Hα-helixtrans-62.6-45.6175.7-170.6168.634.400111.1H72 V74 M78 V79 Y80 L108 N111H72-Q76 WeakPolarHBondContact O-CB 3.46Å; H72-Q76 PolarHBondContact O-N 3.26Å; V74-Q76 PolarHBondContact O-N 2.9Å; Q76-M78 PolarHBondContact O-N 3.43Å; Q76-V79 PolarHBondContact O-N 3.46Å; Q76-Y80 HydrophobicContact CG-CD2 4.13Å; Q76-Y80 HydrophobicContact CG-CE2 4.22Å; Q76-Y80 WeakPolarHBondContact O-CD2 3.31Å; Q76-Y80 PolarHBondContact O-N 3.29Å; Q76-Y80 VanDerWaalsContact O-N 3.09Å; Q76-L108 VanDerWaalsContact CD-CD1 3.46Å; Q76-L108 HydrophobicContact CG-CD1 3.71Å; Q76-N111 PolarHBondContact NE2-OD1 2.9Å
77G94.4Very high93.1Very high35 Ų3553 Ų5336%0.36128%0.283SS..Hα-helixtrans-56.4-49.1174.600000112.5L73 V74 V79 Y80 T81L73-G77 PolarHBondContact O-N 3.48Å; V74-G77 PolarHBondContact O-N 3.06Å; G77-V79 PolarHBondContact O-N 2.9Å; G77-Y80 PolarHBondContact O-N 3.09Å; G77-T81 WeakPolarHBondContact O-CB 3.39Å; G77-T81 PolarHBondContact O-N 2.75Å; G77-T81 PolarHBondContact O-OG1 2.75Å
78M92.4Very high93.2Very high102 Ų10251.5 Ų51.550%0.50227%0.271SS..Hα-helixtrans-58.1-48.5178.1-73-174.8-61.600112V74 L75 Q76 Y80 T81 E82V74-M78 HydrophobicContact CG1-CE 3.86Å; V74-M78 HydrophobicContact CG1-SD 4.32Å; V74-M78 WeakPolarHBondContact O-CG 3.5Å; V74-M78 PolarHBondContact O-N 3.4Å; L75-M78 HydrophobicContact CB-CE 4.48Å; L75-M78 HydrophobicContact CD1-CE 4.19Å; L75-M78 PolarHBondContact O-N 3.2Å; Q76-M78 PolarHBondContact O-N 3.43Å; M78-Y80 VanDerWaalsContact C-N 3.31Å; M78-Y80 PolarHBondContact O-N 3.47Å; M78-T81 PolarHBondContact O-N 3.46Å; M78-E82 VanDerWaalsContact O-CG 3.31Å; M78-E82 WeakPolarHBondContact O-CG 3.43Å; M78-E82 PolarHBondContact O-N 2.97Å
79V93.9Very high93.1Very high22 Ų2252.1 Ų52.113%0.13328%0.282CS..Hα-helixtrans-59.1-43.3178.8171.90000111.4L75 Q76 G77 Y83 F262 V263L75-V79 WeakPolarHBondContact O-CG2 3.49Å; L75-V79 PolarHBondContact O-N 3.41Å; Q76-V79 PolarHBondContact O-N 3.46Å; G77-V79 PolarHBondContact O-N 2.9Å; V79-Y83 VanDerWaalsContact O-CB 3.31Å; V79-Y83 WeakPolarHBondContact O-CB 3.36Å; V79-Y83 PolarHBondContact O-N 2.84Å; V79-F262 HydrophobicContact CG2-CD1 4.12Å; V79-F262 HydrophobicContact CG2-CE1 3.82Å; V79-V263 HydrophobicContact CG1-CG1 4.02Å
80Y96.1Very high92.7Very high14 Ų1455.8 Ų55.86%0.05530%0.295CS..Hα-helixtrans-73-32.8179.7-86-90.6000113Q76 G77 M78 T84 P104 Y105 L108 S204Q76-Y80 HydrophobicContact CG-CD2 4.13Å; Q76-Y80 HydrophobicContact CG-CE2 4.22Å; Q76-Y80 WeakPolarHBondContact O-CD2 3.31Å; Q76-Y80 PolarHBondContact O-N 3.29Å; Q76-Y80 VanDerWaalsContact O-N 3.09Å; G77-Y80 PolarHBondContact O-N 3.09Å; M78-Y80 VanDerWaalsContact C-N 3.31Å; M78-Y80 PolarHBondContact O-N 3.47Å; Y80-T84 WeakPolarHBondContact O-CB 3.39Å; Y80-T84 PolarHBondContact O-N 2.99Å; Y80-T84 PolarHBondContact O-OG1 2.71Å; Y80-P104 HydrophobicContact CE1-CB 4.04Å; Y80-P104 WeakPolarHBondContact CE1-O 3.27Å; Y80-P104 PolarHBondContact OH-O 2.99Å; Y80-Y105 AromaticContact CD1-CD1 3.85Å; Y80-Y105 HydrophobicContact CD1-CD1 3.85Å; Y80-Y105 AromaticContact CD1-CE1 3.82Å; Y80-Y105 HydrophobicContact CD1-CE1 3.82Å; Y80-Y105 HydrophobicContact CE1-CD1 4.1Å; Y80-Y105 HydrophobicContact CE1-CE1 4.44Å; Y80-L108 HydrophobicContact CD1-CD2 3.75Å; Y80-L108 HydrophobicContact CD2-CD1 4.05Å; Y80-L108 HydrophobicContact CD2-CD2 4.02Å; Y80-L108 HydrophobicContact CE1-CB 3.84Å; Y80-L108 HydrophobicContact CE1-CD2 3.84Å; Y80-L108 HydrophobicContact CE1-CG 4.31Å; Y80-L108 HydrophobicContact CE2-CB 4.21Å; Y80-L108 HydrophobicContact CE2-CD1 3.7Å; Y80-L108 HydrophobicContact CE2-CD2 4.14Å; Y80-L108 HydrophobicContact CE2-CG 4.23Å; Y80-L108 HydrophobicContact CG-CD2 3.81Å; Y80-L108 WeakPolarHBondContact OH-CB 3.34Å; Y80-S204 WeakPolarHBondContact OH-CB 3.35Å; Y80-S204 PolarHBondContact OH-OG 3.37Å
81T93.6Very high92.5Very high87 Ų8751.8 Ų51.853%0.53427%0.271SS..Hα-helixtrans-63.8-48.2171.6-62.20000110.9G77 M78 Y83 T84 W85G77-T81 WeakPolarHBondContact O-CB 3.39Å; G77-T81 PolarHBondContact O-N 2.75Å; G77-T81 PolarHBondContact O-OG1 2.75Å; M78-T81 PolarHBondContact O-N 3.46Å; T81-Y83 PolarHBondContact O-N 2.82Å; T81-T84 PolarHBondContact O-N 3.3Å; T81-W85 WeakPolarHBondContact O-CB 3.36Å; T81-W85 PolarHBondContact O-N 3Å
82E92.4Very high92.4Very high53 Ų5353.6 Ų53.625%0.24828%0.277CS..Hα-helixtrans-59.7-46.6175.3-67.6-61.6136.700111.1M78 T84 W85 E86 R255 M259M78-E82 VanDerWaalsContact O-CG 3.31Å; M78-E82 WeakPolarHBondContact O-CG 3.43Å; M78-E82 PolarHBondContact O-N 2.97Å; E82-T84 VanDerWaalsContact C-N 3.34Å; E82-T84 PolarHBondContact O-N 3.47Å; E82-W85 PolarHBondContact O-N 2.84Å; E82-E86 VanDerWaalsContact O-CB 3.27Å; E82-E86 WeakPolarHBondContact O-CB 3.46Å; E82-E86 PolarHBondContact O-N 3.22Å; E82-R255 IonicContact OE1-CZ 3.63Å; E82-R255 IonicContact OE1-NE 3.6Å; E82-R255 IonicContact OE1-NH2 2.75Å; E82-R255 PolarHBondContact OE1-NH2 2.76Å; E82-R255 IonicContact OE2-CZ 3.15Å; E82-R255 IonicContact OE2-NE 2.84Å; E82-R255 PolarHBondContact OE2-NE 3.5Å; E82-R255 IonicContact OE2-NH2 2.83Å; E82-R255 PolarHBondContact OE2-NH2 3.18Å; E82-M259 HydrophobicContact CB-SD 3.83Å
83Y94.9Very high92.2Very high0 Ų060.2 Ų60.20%031%0.308CS..Iπ-helixtrans-58.6-43.1176.1173.6-102.9000112.6V79 T81 V87 F88 L101 P104 Y105 V208 V211V79-Y83 VanDerWaalsContact O-CB 3.31Å; V79-Y83 WeakPolarHBondContact O-CB 3.36Å; V79-Y83 PolarHBondContact O-N 2.84Å; T81-Y83 PolarHBondContact O-N 2.82Å; Y83-V87 HydrophobicContact CD2-CB 3.88Å; Y83-V87 HydrophobicContact CD2-CG1 4.1Å; Y83-V87 HydrophobicContact CD2-CG2 4.38Å; Y83-V87 HydrophobicContact CE2-CB 4.15Å; Y83-V87 HydrophobicContact CE2-CG1 3.89Å; Y83-V87 WeakPolarHBondContact O-CA 3.2Å; Y83-V87 WeakPolarHBondContact O-CB 3.35Å; Y83-V87 PolarHBondContact O-N 2.65Å; Y83-F88 HydrophobicContact CE1-CD2 4.34Å; Y83-F88 PolarHBondContact O-N 2.63Å; Y83-L101 WeakPolarHBondContact OH-CA 3.44Å; Y83-L101 PolarHBondContact OH-O 3.2Å; Y83-P104 HydrophobicContact CE1-CB 4.26Å; Y83-P104 HydrophobicContact CE1-CG 4.3Å; Y83-Y105 HydrophobicContact CD1-CE2 4.25Å; Y83-Y105 AromaticContact CD1-CZ 3.88Å; Y83-Y105 HydrophobicContact CE1-CD2 4.49Å; Y83-Y105 AromaticContact CE1-CE2 3.7Å; Y83-Y105 HydrophobicContact CE1-CE2 3.7Å; Y83-Y105 AromaticContact CE1-CZ 3.82Å; Y83-V208 HydrophobicContact CD2-CG1 3.98Å; Y83-V208 HydrophobicContact CD2-CG2 4.27Å; Y83-V208 HydrophobicContact CG-CG2 4.49Å; Y83-V211 HydrophobicContact CE2-CB 4.45Å; Y83-V211 HydrophobicContact CE2-CG1 4.08Å
84T94.9Very high91.7Very high64 Ų6459.6 Ų59.639%0.39331%0.305SS..Iπ-helixtrans-64.6-45.6178.5-50.30000111.2Y80 T81 E82 F88 Y105Y80-T84 WeakPolarHBondContact O-CB 3.39Å; Y80-T84 PolarHBondContact O-N 2.99Å; Y80-T84 PolarHBondContact O-OG1 2.71Å; T81-T84 PolarHBondContact O-N 3.3Å; E82-T84 VanDerWaalsContact C-N 3.34Å; E82-T84 PolarHBondContact O-N 3.47Å; T84-F88 WeakPolarHBondContact O-CB 3.45Å; T84-Y105 WeakPolarHBondContact CB-OH 3.31Å; T84-Y105 PolarHBondContact OG1-OH 3.09Å
85W91.7Very high91.5Very high190 Ų19064.8 Ų64.872%0.7232%0.324SS*.Iπ-helixtrans-78.5-41.3-171.9-163.5-83.9000112.5T81 E82T81-W85 WeakPolarHBondContact O-CB 3.36Å; T81-W85 PolarHBondContact O-N 3Å; E82-W85 PolarHBondContact O-N 2.84Å
86E89.8Confident91.6Very high27 Ų2763.8 Ų63.813%0.12632%0.318CS..Iπ-helixtrans-103.5-19.3-169.4-61.7-69.1143.900114E82 Y90 R255 I256E82-E86 VanDerWaalsContact O-CB 3.27Å; E82-E86 WeakPolarHBondContact O-CB 3.46Å; E82-E86 PolarHBondContact O-N 3.22Å; E86-Y90 VanDerWaalsContact O-CD2 3.26Å; E86-Y90 WeakPolarHBondContact O-CD2 3.38Å; E86-R255 HydrophobicContact CG-CB 4.2Å; E86-R255 IonicContact OE1-CZ 3.08Å; E86-R255 IonicContact OE1-NE 2.79Å; E86-R255 IonicContact OE1-NH1 2.61Å; E86-R255 PolarHBondContact OE1-NH1 3.46Å; E86-R255 IonicContact OE1-NH2 3.76Å; E86-I256 HydrophobicContact CB-CD1 4.22Å; E86-I256 HydrophobicContact CB-CG1 3.74Å; E86-I256 VanDerWaalsContact O-CD1 3.24Å; E86-I256 WeakPolarHBondContact O-CD1 3.47Å
87V90.5Very high91.5Very high0 Ų066.3 Ų66.30%034%0.337CS..Iπ-helixtrans-117.6-47.6-176.6-178.80000111.2Y83 G89 Y90 C91 V211 I256 M259Y83-V87 HydrophobicContact CD2-CB 3.88Å; Y83-V87 HydrophobicContact CD2-CG1 4.1Å; Y83-V87 HydrophobicContact CD2-CG2 4.38Å; Y83-V87 HydrophobicContact CE2-CB 4.15Å; Y83-V87 HydrophobicContact CE2-CG1 3.89Å; Y83-V87 WeakPolarHBondContact O-CA 3.2Å; Y83-V87 WeakPolarHBondContact O-CB 3.35Å; Y83-V87 PolarHBondContact O-N 2.65Å; V87-G89 PolarHBondContact O-N 2.7Å; V87-Y90 PolarHBondContact O-N 2.99Å; V87-C91 VanDerWaalsContact O-CB 3.27Å; V87-C91 WeakPolarHBondContact O-CB 3.43Å; V87-C91 PolarHBondContact O-N 2.98Å; V87-C91 PolarHBondContact O-SG 3.38Å; V87-C91 VanDerWaalsContact O-SG 3.34Å; V87-V211 HydrophobicContact CG1-CG1 3.92Å; V87-I256 HydrophobicContact CG2-CG1 4.39Å; V87-I256 HydrophobicContact CG2-CG2 4.34Å; V87-M259 HydrophobicContact CG2-CE 3.74Å
88F92.2Very high91.4Very high38 Ų3869.3 Ų69.317%0.16734%0.344CS..Iπ-helixtrans-59.1-46.5-174.1-169.2-79.9000112.6Y83 T84 Q92 L98 L101 L102 Y105Y83-F88 HydrophobicContact CE1-CD2 4.34Å; Y83-F88 PolarHBondContact O-N 2.63Å; T84-F88 WeakPolarHBondContact O-CB 3.45Å; F88-Q92 WeakPolarHBondContact O-CB 3.48Å; F88-Q92 PolarHBondContact O-N 3.36Å; F88-Q92 VanDerWaalsContact O-N 3.08Å; F88-L98 HydrophobicContact CZ-CD1 4.13Å; F88-L101 HydrophobicContact CD2-CB 3.9Å; F88-L101 HydrophobicContact CE2-CB 3.64Å; F88-L101 HydrophobicContact CZ-CB 4.41Å; F88-L102 HydrophobicContact CE2-CD2 4.2Å; F88-L102 HydrophobicContact CZ-CD2 4.41Å; F88-Y105 AromaticContact CD2-CE2 3.77Å; F88-Y105 HydrophobicContact CD2-CE2 3.77Å; F88-Y105 AromaticContact CE2-CE2 3.84Å; F88-Y105 HydrophobicContact CE2-CE2 3.84Å
89G88.6Confident91.5Very high31 Ų3171.4 Ų71.432%0.3235%0.347SS..Hα-helixtrans-61.6-54.818000000112.9V87 C91 Q92 E93V87-G89 PolarHBondContact O-N 2.7Å; G89-C91 VanDerWaalsContact C-N 3.34Å; G89-C91 PolarHBondContact O-N 2.92Å; G89-Q92 WeakPolarHBondContact O-CB 3.41Å; G89-Q92 PolarHBondContact O-N 3.46Å; G89-Q92 VanDerWaalsContact O-N 3.1Å; G89-E93 PolarHBondContact O-N 3.32Å; G89-E93 VanDerWaalsContact O-N 3.12Å
90Y88.4Confident91.4Very high102 Ų10277 Ų7740%0.437%0.367SS..Hα-helixtrans-63.1-38.5179.5-70.1-63.7000112.9E86 V87 Q92 E93 L94 F215E86-Y90 VanDerWaalsContact O-CD2 3.26Å; E86-Y90 WeakPolarHBondContact O-CD2 3.38Å; V87-Y90 PolarHBondContact O-N 2.99Å; Y90-Q92 VanDerWaalsContact C-N 3.26Å; Y90-Q92 PolarHBondContact O-N 2.85Å; Y90-E93 PolarHBondContact O-N 2.95Å; Y90-L94 WeakPolarHBondContact O-CG 3.35Å; Y90-L94 PolarHBondContact O-N 3.18Å; Y90-F215 HydrophobicContact CD2-CZ 4.3Å; Y90-F215 HydrophobicContact CG-CE2 4.3Å; Y90-F215 HydrophobicContact CG-CZ 4.19Å
91C89.2Confident91.3Very high0 Ų076.3 Ų76.30%037%0.365CS..Hα-helixtrans-63.4-33.9175.4-77.10000112.4V87 G89 L94 E95 F96 L101V87-C91 VanDerWaalsContact O-CB 3.27Å; V87-C91 WeakPolarHBondContact O-CB 3.43Å; V87-C91 PolarHBondContact O-N 2.98Å; V87-C91 PolarHBondContact O-SG 3.38Å; V87-C91 VanDerWaalsContact O-SG 3.34Å; G89-C91 VanDerWaalsContact C-N 3.34Å; G89-C91 PolarHBondContact O-N 2.92Å; C91-L94 CarbonylContact O-C 3.52Å; C91-L94 PolarHBondContact O-N 3.02Å; C91-E95 PolarHBondContact O-N 3.32Å; C91-F96 HydrophobicContact CB-CB 4.07Å; C91-F96 HydrophobicContact CB-CD1 4.34Å; C91-F96 HydrophobicContact CB-CD2 4.34Å; C91-F96 HydrophobicContact CB-CG 4.01Å; C91-F96 WeakPolarHBondContact O-CB 3.34Å; C91-F96 PolarHBondContact O-N 2.92Å; C91-L101 HydrophobicContact CB-CD1 3.97Å; C91-L101 HydrophobicContact CB-CD2 3.57Å; C91-L101 HydrophobicContact CB-CG 4.41Å
92Q89.4Confident91.4Very high125 Ų12576 Ų7658%0.58436%0.359SS*.Hα-helixtrans-68.4-38.5175.6-171.8177.1-19.100111.6F88 G89 Y90 L94 E95F88-Q92 WeakPolarHBondContact O-CB 3.48Å; F88-Q92 PolarHBondContact O-N 3.36Å; F88-Q92 VanDerWaalsContact O-N 3.08Å; G89-Q92 WeakPolarHBondContact O-CB 3.41Å; G89-Q92 PolarHBondContact O-N 3.46Å; G89-Q92 VanDerWaalsContact O-N 3.1Å; Y90-Q92 VanDerWaalsContact C-N 3.26Å; Y90-Q92 PolarHBondContact O-N 2.85Å; Q92-L94 VanDerWaalsContact C-N 3.3Å; Q92-L94 PolarHBondContact O-N 3.4Å; Q92-E95 PolarHBondContact O-N 3.1Å
93E88.6Confident91.6Very high153 Ų15375.5 Ų75.572%0.71536%0.358SS*.Hα-helixtrans-65-33.6172.8-67.7177.3-176.100112.4G89 Y90 E95G89-E93 PolarHBondContact O-N 3.32Å; G89-E93 VanDerWaalsContact O-N 3.12Å; Y90-E93 PolarHBondContact O-N 2.95Å; E93-E95 PolarHBondContact O-N 3.45Å
94L86.4Confident91.6Very high63 Ų6375.5 Ų75.533%0.3336%0.358SS..THydrogen-bonded Turntrans-83.215175-67.1171.2000113.8Y90 C91 Q92 F96 F215Y90-L94 WeakPolarHBondContact O-CG 3.35Å; Y90-L94 PolarHBondContact O-N 3.18Å; C91-L94 CarbonylContact O-C 3.52Å; C91-L94 PolarHBondContact O-N 3.02Å; Q92-L94 VanDerWaalsContact C-N 3.3Å; Q92-L94 PolarHBondContact O-N 3.4Å; L94-F96 VanDerWaalsContact C-N 3.26Å; L94-F96 HydrophobicContact CB-CD2 3.81Å; L94-F96 HydrophobicContact CB-CE2 3.85Å; L94-F96 HydrophobicContact CD1-CE2 4.36Å; L94-F96 PolarHBondContact O-N 3.41Å; L94-F215 HydrophobicContact CD1-CD2 3.63Å; L94-F215 HydrophobicContact CD1-CE2 3.58Å
95E89.9Confident91.7Very high182 Ų18275.1 Ų75.185%0.8535%0.35SS*.THydrogen-bonded Turntrans57.330.6176.4-55.4-172.516800114.9C91 Q92 E93C91-E95 PolarHBondContact O-N 3.32Å; Q92-E95 PolarHBondContact O-N 3.1Å; E93-E95 PolarHBondContact O-N 3.45Å
96F90.9Very high92Very high37 Ų3771.4 Ų71.416%0.16234%0.343CS..  trans-63.4142.9173.6-82-128.8000110.6C91 L94 L98 L101 T214 H218C91-F96 HydrophobicContact CB-CB 4.07Å; C91-F96 HydrophobicContact CB-CD1 4.34Å; C91-F96 HydrophobicContact CB-CD2 4.34Å; C91-F96 HydrophobicContact CB-CG 4.01Å; C91-F96 WeakPolarHBondContact O-CB 3.34Å; C91-F96 PolarHBondContact O-N 2.92Å; L94-F96 VanDerWaalsContact C-N 3.26Å; L94-F96 HydrophobicContact CB-CD2 3.81Å; L94-F96 HydrophobicContact CB-CE2 3.85Å; L94-F96 HydrophobicContact CD1-CE2 4.36Å; L94-F96 PolarHBondContact O-N 3.41Å; F96-L98 PolarHBondContact O-N 3.24Å; F96-L101 HydrophobicContact CB-CD1 4.26Å; F96-L101 HydrophobicContact CB-CD2 4.38Å; F96-L101 HydrophobicContact CB-CG 4.4Å; F96-T214 HydrophobicContact CE1-CG2 3.67Å; F96-T214 HydrophobicContact CZ-CG2 3.93Å; F96-H218 HydrophobicContact CE2-CB 4.23Å; F96-H218 HydrophobicContact CZ-CB 4.13Å; F96-H218 AromaticContact CZ-CD2 3.71Å; F96-H218 AromaticContact CZ-CG 3.94Å
97S92.8Very high92.4Very high68 Ų6871.5 Ų71.548%0.47635%0.345SS..  trans-61.1124.3176.71740000111.3Y99 Y100S97-Y99 PolarHBondContact O-N 3.28Å; S97-Y100 PolarHBondContact O-N 3.45Å
98L93.2Very high92.8Very high98 Ų9872.9 Ų72.951%0.51335%0.352SS..Hα-helixtrans-54.7-29.1-178.3-173.365.5000112.7F88 F96 Y100 L101 L102F88-L98 HydrophobicContact CZ-CD1 4.13Å; F96-L98 PolarHBondContact O-N 3.24Å; L98-Y100 VanDerWaalsContact C-N 3.35Å; L98-Y100 PolarHBondContact O-N 3.49Å; L98-L101 PolarHBondContact O-N 3.05Å; L98-L102 HydrophobicContact CD1-CD1 4.14Å; L98-L102 HydrophobicContact CD1-CD2 4.42Å; L98-L102 HydrophobicContact CD1-CG 3.97Å; L98-L102 HydrophobicContact CD2-CD1 3.97Å; L98-L102 HydrophobicContact CG-CD1 3.66Å; L98-L102 HydrophobicContact CG-CG 3.91Å; L98-L102 WeakPolarHBondContact O-CB 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.93Å
99Y93.5Very high93.1Very high146 Ų14675.8 Ų75.857%0.57337%0.372SS*.Hα-helixtrans-55.8-47.3175.6171.7-99.1000112.3S97 L101 L102 L103S97-Y99 PolarHBondContact O-N 3.28Å; Y99-L101 VanDerWaalsContact C-N 3.31Å; Y99-L101 PolarHBondContact O-N 3.44Å; Y99-L102 PolarHBondContact O-N 2.86Å; Y99-L103 WeakPolarHBondContact O-CB 3.47Å; Y99-L103 PolarHBondContact O-N 3.49Å
100Y91.5Very high93.6Very high138 Ų13877.1 Ų77.154%0.54137%0.374SS..Hα-helixtrans-69.4-32.4-180-65.9-64.5000111.9S97 L98 P104S97-Y100 PolarHBondContact O-N 3.45Å; L98-Y100 VanDerWaalsContact C-N 3.35Å; L98-Y100 PolarHBondContact O-N 3.49Å; Y100-P104 WeakPolarHBondContact O-CD 3.28Å
101L94.1Very high94Very high1 Ų172.3 Ų72.31%0.00536%0.355CS..Hα-helixtrans-74.1-31.9178.6-57.6-178.1000112.8Y83 F88 C91 F96 L98 Y99 V211Y83-L101 WeakPolarHBondContact OH-CA 3.44Å; Y83-L101 PolarHBondContact OH-O 3.2Å; F88-L101 HydrophobicContact CD2-CB 3.9Å; F88-L101 HydrophobicContact CE2-CB 3.64Å; F88-L101 HydrophobicContact CZ-CB 4.41Å; C91-L101 HydrophobicContact CB-CD1 3.97Å; C91-L101 HydrophobicContact CB-CD2 3.57Å; C91-L101 HydrophobicContact CB-CG 4.41Å; F96-L101 HydrophobicContact CB-CD1 4.26Å; F96-L101 HydrophobicContact CB-CD2 4.38Å; F96-L101 HydrophobicContact CB-CG 4.4Å; L98-L101 PolarHBondContact O-N 3.05Å; Y99-L101 VanDerWaalsContact C-N 3.31Å; Y99-L101 PolarHBondContact O-N 3.44Å; L101-V211 HydrophobicContact CD2-CG1 3.88Å
102L95.9Very high94.5Very high81 Ų8175.3 Ų75.342%0.42437%0.371SS..Hα-helixtrans-85.7-24179.2-67.9-178.5000114F88 L98 Y99 Y105 L106F88-L102 HydrophobicContact CE2-CD2 4.2Å; F88-L102 HydrophobicContact CZ-CD2 4.41Å; L98-L102 HydrophobicContact CD1-CD1 4.14Å; L98-L102 HydrophobicContact CD1-CD2 4.42Å; L98-L102 HydrophobicContact CD1-CG 3.97Å; L98-L102 HydrophobicContact CD2-CD1 3.97Å; L98-L102 HydrophobicContact CG-CD1 3.66Å; L98-L102 HydrophobicContact CG-CG 3.91Å; L98-L102 WeakPolarHBondContact O-CB 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.48Å; L98-L102 PolarHBondContact O-N 2.93Å; Y99-L102 PolarHBondContact O-N 2.86Å; L102-Y105 HydrophobicContact CD2-CD2 4.34Å; L102-Y105 PolarHBondContact O-N 3.49Å; L102-L106 PolarHBondContact O-N 3.3Å; L102-L106 VanDerWaalsContact O-N 3.09Å
103L96.3Very high94.9Very high42 Ų4275.7 Ų75.722%0.2237%0.371CS..Hα-helixtrans-54.8-44.8-179.1176.864.6000113.4Y99 Y105 L106 L107 T207Y99-L103 WeakPolarHBondContact O-CB 3.47Å; Y99-L103 PolarHBondContact O-N 3.49Å; L103-Y105 VanDerWaalsContact C-N 3.28Å; L103-Y105 PolarHBondContact O-N 3Å; L103-L106 PolarHBondContact O-N 3.04Å; L103-L107 HydrophobicContact CD1-CD1 4.31Å; L103-L107 HydrophobicContact CD1-CG 4.27Å; L103-L107 HydrophobicContact CG-CD1 4.15Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 3.04Å; L103-T207 HydrophobicContact CD2-CG2 3.82Å; L103-T207 HydrophobicContact CG-CG2 4.32Å
104P96.4Very high95.4Very high0 Ų068.7 Ų68.70%034%0.339CS..Hα-helixtrans-57-37.2174.5-28.636.8000113.7Y80 Y83 Y100 L107 L108 V208Y80-P104 HydrophobicContact CE1-CB 4.04Å; Y80-P104 WeakPolarHBondContact CE1-O 3.27Å; Y80-P104 PolarHBondContact OH-O 2.99Å; Y83-P104 HydrophobicContact CE1-CB 4.26Å; Y83-P104 HydrophobicContact CE1-CG 4.3Å; Y100-P104 WeakPolarHBondContact O-CD 3.28Å; P104-L107 PolarHBondContact O-N 3.03Å; P104-L108 PolarHBondContact O-N 2.95Å; P104-V208 HydrophobicContact CB-CG2 3.98Å; P104-V208 HydrophobicContact CG-CG2 4.24Å
105Y97.3Very high96Very high55 Ų5565.9 Ų65.922%0.21632%0.324CS..Hα-helixtrans-73.1-36.7178.3-61.2-75.3000112.3Y80 Y83 T84 F88 L102 L103 L107 L108 V109Y80-Y105 AromaticContact CD1-CD1 3.85Å; Y80-Y105 HydrophobicContact CD1-CD1 3.85Å; Y80-Y105 AromaticContact CD1-CE1 3.82Å; Y80-Y105 HydrophobicContact CD1-CE1 3.82Å; Y80-Y105 HydrophobicContact CE1-CD1 4.1Å; Y80-Y105 HydrophobicContact CE1-CE1 4.44Å; Y83-Y105 HydrophobicContact CD1-CE2 4.25Å; Y83-Y105 AromaticContact CD1-CZ 3.88Å; Y83-Y105 HydrophobicContact CE1-CD2 4.49Å; Y83-Y105 AromaticContact CE1-CE2 3.7Å; Y83-Y105 HydrophobicContact CE1-CE2 3.7Å; Y83-Y105 AromaticContact CE1-CZ 3.82Å; T84-Y105 WeakPolarHBondContact CB-OH 3.31Å; T84-Y105 PolarHBondContact OG1-OH 3.09Å; F88-Y105 AromaticContact CD2-CE2 3.77Å; F88-Y105 HydrophobicContact CD2-CE2 3.77Å; F88-Y105 AromaticContact CE2-CE2 3.84Å; F88-Y105 HydrophobicContact CE2-CE2 3.84Å; L102-Y105 HydrophobicContact CD2-CD2 4.34Å; L102-Y105 PolarHBondContact O-N 3.49Å; L103-Y105 VanDerWaalsContact C-N 3.28Å; L103-Y105 PolarHBondContact O-N 3Å; Y105-L107 VanDerWaalsContact C-N 3.32Å; Y105-L107 PolarHBondContact O-N 3.22Å; Y105-L108 WeakPolarHBondContact O-CB 3.33Å; Y105-L108 PolarHBondContact O-N 3.27Å; Y105-V109 WeakPolarHBondContact O-CG2 3.46Å; Y105-V109 PolarHBondContact O-N 2.8Å
106L97.7Very high96.4Very high112 Ų11260.8 Ų60.859%0.58631%0.305SS*.Hα-helixtrans-61.1-45.2173179.963.5000110.7L102 L103 L108 V109 V110L102-L106 PolarHBondContact O-N 3.3Å; L102-L106 VanDerWaalsContact O-N 3.09Å; L103-L106 PolarHBondContact O-N 3.04Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L108 PolarHBondContact O-N 2.93Å; L106-V109 PolarHBondContact O-N 2.85Å; L106-V110 PolarHBondContact O-N 3.48Å
107L98.3Very high96.7Very high30 Ų3060.8 Ų60.816%0.15731%0.307CS..Hα-helixtrans-61.4-38.5174.8-69.1171000111.7L103 P104 Y105 V109 V110 N111 T200 A203 T207L103-L107 HydrophobicContact CD1-CD1 4.31Å; L103-L107 HydrophobicContact CD1-CG 4.27Å; L103-L107 HydrophobicContact CG-CD1 4.15Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 3.04Å; P104-L107 PolarHBondContact O-N 3.03Å; Y105-L107 VanDerWaalsContact C-N 3.32Å; Y105-L107 PolarHBondContact O-N 3.22Å; L107-V109 PolarHBondContact O-N 3.45Å; L107-V110 PolarHBondContact O-N 2.72Å; L107-N111 WeakPolarHBondContact O-CB 3.22Å; L107-N111 PolarHBondContact O-N 3.48Å; L107-T200 HydrophobicContact CD2-CG2 4.44Å; L107-A203 HydrophobicContact CD1-CB 3.95Å; L107-A203 HydrophobicContact CD2-CB 4.21Å; L107-T207 HydrophobicContact CD1-CG2 4.04Å
108L98.1Very high97Very high29 Ų2957.6 Ų57.615%0.15228%0.284CS..Hα-helixtrans-58.5-46.7175-178.958.5000111.9Q76 Y80 P104 Y105 L106 V110 N111 L112Q76-L108 VanDerWaalsContact CD-CD1 3.46Å; Q76-L108 HydrophobicContact CG-CD1 3.71Å; Y80-L108 HydrophobicContact CD1-CD2 3.75Å; Y80-L108 HydrophobicContact CD2-CD1 4.05Å; Y80-L108 HydrophobicContact CD2-CD2 4.02Å; Y80-L108 HydrophobicContact CE1-CB 3.84Å; Y80-L108 HydrophobicContact CE1-CD2 3.84Å; Y80-L108 HydrophobicContact CE1-CG 4.31Å; Y80-L108 HydrophobicContact CE2-CB 4.21Å; Y80-L108 HydrophobicContact CE2-CD1 3.7Å; Y80-L108 HydrophobicContact CE2-CD2 4.14Å; Y80-L108 HydrophobicContact CE2-CG 4.23Å; Y80-L108 HydrophobicContact CG-CD2 3.81Å; Y80-L108 WeakPolarHBondContact OH-CB 3.34Å; P104-L108 PolarHBondContact O-N 2.95Å; Y105-L108 WeakPolarHBondContact O-CB 3.33Å; Y105-L108 PolarHBondContact O-N 3.27Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L108 PolarHBondContact O-N 2.93Å; L108-V110 PolarHBondContact O-N 2.98Å; L108-N111 WeakPolarHBondContact O-CB 3.48Å; L108-N111 PolarHBondContact O-N 3.45Å; L108-L112 HydrophobicContact CD1-CD1 3.93Å; L108-L112 HydrophobicContact CD1-CD2 4.39Å; L108-L112 HydrophobicContact CD1-CG 3.88Å; L108-L112 HydrophobicContact CG-CD1 3.9Å; L108-L112 HydrophobicContact CG-CG 4.26Å; L108-L112 WeakPolarHBondContact O-CB 3.23Å; L108-L112 WeakPolarHBondContact O-CG 3.35Å; L108-L112 PolarHBondContact O-N 3.3Å
109V98.4Very high97.2Very high98 Ų9854.1 Ų54.159%0.59427%0.268SS*.Hα-helixtrans-61.6-48.2-178.7172.40000110.9Y105 L106 L107 N111 L112 F113Y105-V109 WeakPolarHBondContact O-CG2 3.46Å; Y105-V109 PolarHBondContact O-N 2.8Å; L106-V109 PolarHBondContact O-N 2.85Å; L107-V109 PolarHBondContact O-N 3.45Å; V109-N111 VanDerWaalsContact C-N 3.28Å; V109-N111 PolarHBondContact O-N 2.97Å; V109-L112 PolarHBondContact O-N 3.47Å; V109-F113 WeakPolarHBondContact O-CB 3.44Å; V109-F113 PolarHBondContact O-N 3Å; V109-F113 VanDerWaalsContact O-N 3.1Å
110V98.5Very high97.4Very high60 Ų6052.2 Ų52.236%0.36427%0.272SS..Hα-helixtrans-64-37.7177.5-176.70000110.9L106 L107 L108 S114 I196 T200L106-V110 PolarHBondContact O-N 3.48Å; L107-V110 PolarHBondContact O-N 2.72Å; L108-V110 PolarHBondContact O-N 2.98Å; V110-S114 WeakPolarHBondContact O-CB 3.43Å; V110-S114 PolarHBondContact O-N 3.15Å; V110-S114 PolarHBondContact O-OG 2.81Å; V110-I196 HydrophobicContact CG1-CG2 4.17Å; V110-T200 HydrophobicContact CB-CG2 4.15Å; V110-T200 HydrophobicContact CG1-CG2 3.8Å
111N98.6Very high97.7Very high0 Ų047.2 Ų47.20%026%0.255CS..Hα-helixtrans-63.9-51.3178-175.6-99.6000112.1Q76 L107 L108 V109 F113 S114 F115 Y197 T200 L201Q76-N111 PolarHBondContact NE2-OD1 2.9Å; L107-N111 WeakPolarHBondContact O-CB 3.22Å; L107-N111 PolarHBondContact O-N 3.48Å; L108-N111 WeakPolarHBondContact O-CB 3.48Å; L108-N111 PolarHBondContact O-N 3.45Å; V109-N111 VanDerWaalsContact C-N 3.28Å; V109-N111 PolarHBondContact O-N 2.97Å; N111-F113 VanDerWaalsContact C-N 3.3Å; N111-F113 PolarHBondContact O-N 3.45Å; N111-S114 PolarHBondContact O-N 2.88Å; N111-F115 WeakPolarHBondContact O-CB 3.47Å; N111-F115 PolarHBondContact O-N 2.91Å; N111-Y197 VanDerWaalsContact ND2-CD2 3.29Å; N111-Y197 WeakPolarHBondContact ND2-CD2 3.5Å; N111-Y197 PolarHBondContact ND2-O 2.86Å; N111-T200 WeakPolarHBondContact CA-OG1 3.41Å; N111-T200 WeakPolarHBondContact CB-OG1 3.45Å; N111-T200 PolarHBondContact ND2-OG1 3.42Å; N111-L201 WeakPolarHBondContact ND2-CB 3.31Å; N111-L201 PolarHBondContact ND2-N 3.06Å
112L98.4Very high97.9Very high63 Ų6350.6 Ų50.633%0.3327%0.273SS..Hα-helixtrans-60.5-40.5179.1-71.9174000111.7L73 L108 V109 T116L73-L112 HydrophobicContact CD2-CD2 3.88Å; L108-L112 HydrophobicContact CD1-CD1 3.93Å; L108-L112 HydrophobicContact CD1-CD2 4.39Å; L108-L112 HydrophobicContact CD1-CG 3.88Å; L108-L112 HydrophobicContact CG-CD1 3.9Å; L108-L112 HydrophobicContact CG-CG 4.26Å; L108-L112 WeakPolarHBondContact O-CB 3.23Å; L108-L112 WeakPolarHBondContact O-CG 3.35Å; L108-L112 PolarHBondContact O-N 3.3Å; V109-L112 PolarHBondContact O-N 3.47Å; L112-T116 WeakPolarHBondContact O-CB 3.3Å; L112-T116 PolarHBondContact O-N 2.83Å; L112-T116 PolarHBondContact O-OG1 2.9Å
113F98.4Very high97.9Very high134 Ų13446.8 Ų46.859%0.58825%0.254SS*.Hα-helixtrans-62.1-51.1174.8-179.7-105.8000111.5V109 N111 F115 T116 L117V109-F113 WeakPolarHBondContact O-CB 3.44Å; V109-F113 PolarHBondContact O-N 3Å; V109-F113 VanDerWaalsContact O-N 3.1Å; N111-F113 VanDerWaalsContact C-N 3.3Å; N111-F113 PolarHBondContact O-N 3.45Å; F113-F115 PolarHBondContact O-N 3.04Å; F113-T116 PolarHBondContact O-N 3.49Å; F113-L117 HydrophobicContact CD1-CD1 3.96Å; F113-L117 HydrophobicContact CE1-CD1 3.38Å; F113-L117 HydrophobicContact CE1-CG 4.27Å; F113-L117 HydrophobicContact CE2-CD1 4.29Å; F113-L117 HydrophobicContact CE2-CG 4.47Å; F113-L117 HydrophobicContact CZ-CD1 3.58Å; F113-L117 HydrophobicContact CZ-CG 4.22Å; F113-L117 WeakPolarHBondContact O-CG 3.35Å; F113-L117 PolarHBondContact O-N 3.41Å
114S98.5Very high97.9Very high5 Ų544.8 Ų44.84%0.03524%0.243CC..Hα-helixtrans-67.6-35.9-178.8-55.60000112.7V110 N111 L117 T118 I196V110-S114 WeakPolarHBondContact O-CB 3.43Å; V110-S114 PolarHBondContact O-N 3.15Å; V110-S114 PolarHBondContact O-OG 2.81Å; N111-S114 PolarHBondContact O-N 2.88Å; S114-L117 PolarHBondContact O-N 3.5Å; S114-T118 WeakPolarHBondContact O-CB 3.43Å; S114-T118 PolarHBondContact O-N 3.49Å; S114-T118 PolarHBondContact O-OG1 3.49Å; S114-I196 VanDerWaalsContact OG-CG2 3.28Å; S114-I196 WeakPolarHBondContact OG-CG2 3.41Å
115F98.6Very high97.9Very high5 Ų546.5 Ų46.52%0.02225%0.252CS..Hα-helixtrans-61.2-49.1172.9175.2-104.8000110.5I69 H72 L73 N111 F113 L117 T118 C119 V182 Y197I69-F115 HydrophobicContact CB-CZ 4.45Å; I69-F115 HydrophobicContact CG1-CZ 4.2Å; I69-F115 HydrophobicContact CG2-CE1 4.07Å; I69-F115 HydrophobicContact CG2-CZ 4.07Å; H72-F115 AromaticContact CD2-CD2 3.92Å; H72-F115 AromaticContact CD2-CE2 3.49Å; H72-F115 VanDerWaalsContact CD2-CE2 3.49Å; H72-F115 WeakPolarHBondContact CD2-CE2 3.37Å; H72-F115 AromaticContact CD2-CZ 3.6Å; H72-F115 AromaticContact NE2-CD2 3.94Å; H72-F115 AromaticContact NE2-CE2 3.94Å; L73-F115 HydrophobicContact CD2-CD1 4.27Å; L73-F115 HydrophobicContact CD2-CE1 4Å; L73-F115 HydrophobicContact CG-CE1 4.29Å; N111-F115 WeakPolarHBondContact O-CB 3.47Å; N111-F115 PolarHBondContact O-N 2.91Å; F113-F115 PolarHBondContact O-N 3.04Å; F115-L117 PolarHBondContact O-N 2.88Å; F115-T118 WeakPolarHBondContact O-CB 3.45Å; F115-T118 PolarHBondContact O-N 3.22Å; F115-C119 PolarHBondContact O-N 3.49Å; F115-C119 PolarHBondContact O-SG 3.48Å; F115-V182 HydrophobicContact CD2-CG1 4.06Å; F115-V182 HydrophobicContact CE2-CG1 3.83Å; F115-Y197 HydrophobicContact CB-CD2 3.71Å; F115-Y197 HydrophobicContact CB-CE2 4.07Å; F115-Y197 HydrophobicContact CB-CG 4.44Å; F115-Y197 AromaticContact CD2-CD2 3.96Å; F115-Y197 HydrophobicContact CD2-CD2 3.96Å; F115-Y197 AromaticContact CD2-CE2 3.57Å; F115-Y197 HydrophobicContact CD2-CE2 3.57Å; F115-Y197 AromaticContact CD2-CZ 3.88Å; F115-Y197 HydrophobicContact CE2-CE2 4.46Å; F115-Y197 HydrophobicContact CG-CD2 4.31Å; F115-Y197 HydrophobicContact CG-CE2 4.22Å
116T98.4Very high97.9Very high74 Ų7444.1 Ų44.145%0.45424%0.243SC..Hα-helixtrans-59.4-48.7177.7-58.60000110.8L112 F113 T118 C119 V120L112-T116 WeakPolarHBondContact O-CB 3.3Å; L112-T116 PolarHBondContact O-N 2.83Å; L112-T116 PolarHBondContact O-OG1 2.9Å; F113-T116 PolarHBondContact O-N 3.49Å; T116-T118 VanDerWaalsContact C-N 3.3Å; T116-T118 PolarHBondContact O-N 3.14Å; T116-C119 WeakPolarHBondContact O-CB 3.4Å; T116-C119 PolarHBondContact O-N 3.4Å; T116-C119 VanDerWaalsContact O-N 3.09Å; T116-V120 HydrophobicContact CG2-CG1 4.49Å; T116-V120 WeakPolarHBondContact O-CG2 3.34Å; T116-V120 PolarHBondContact O-N 2.95Å
117L98.5Very high97.8Very high38 Ų3841.8 Ų41.820%0.19923%0.233CC..Hα-helixtrans-59-41.4176.8-70.5-176.1000111.9F113 S114 F115 C119 V120 T121 Y193F113-L117 HydrophobicContact CD1-CD1 3.96Å; F113-L117 HydrophobicContact CE1-CD1 3.38Å; F113-L117 HydrophobicContact CE1-CG 4.27Å; F113-L117 HydrophobicContact CE2-CD1 4.29Å; F113-L117 HydrophobicContact CE2-CG 4.47Å; F113-L117 HydrophobicContact CZ-CD1 3.58Å; F113-L117 HydrophobicContact CZ-CG 4.22Å; F113-L117 WeakPolarHBondContact O-CG 3.35Å; F113-L117 PolarHBondContact O-N 3.41Å; S114-L117 PolarHBondContact O-N 3.5Å; F115-L117 PolarHBondContact O-N 2.88Å; L117-C119 VanDerWaalsContact C-N 3.32Å; L117-C119 PolarHBondContact O-N 3.2Å; L117-V120 PolarHBondContact O-N 3.39Å; L117-T121 WeakPolarHBondContact O-CB 3.21Å; L117-T121 PolarHBondContact O-N 3.29Å; L117-T121 PolarHBondContact O-OG1 2.85Å; L117-Y193 HydrophobicContact CB-CD1 3.97Å; L117-Y193 HydrophobicContact CB-CD2 3.98Å; L117-Y193 HydrophobicContact CB-CE1 4.42Å; L117-Y193 HydrophobicContact CB-CE2 4.42Å; L117-Y193 HydrophobicContact CB-CG 3.74Å; L117-Y193 HydrophobicContact CD1-CD1 3.61Å; L117-Y193 HydrophobicContact CD1-CE1 3.49Å; L117-Y193 VanDerWaalsContact CD1-CE1 3.49Å; L117-Y193 HydrophobicContact CD1-CG 4.24Å; L117-Y193 HydrophobicContact CG-CD1 4.47Å
118T98.4Very high97.6Very high0 Ų045.2 Ų45.20%025%0.247CC..Hα-helixtrans-59.2-43.4174.4-55.30000112.2S114 F115 T116 V182 N184 I186 N190 Y193 F194S114-T118 WeakPolarHBondContact O-CB 3.43Å; S114-T118 PolarHBondContact O-N 3.49Å; S114-T118 PolarHBondContact O-OG1 3.49Å; F115-T118 WeakPolarHBondContact O-CB 3.45Å; F115-T118 PolarHBondContact O-N 3.22Å; T116-T118 VanDerWaalsContact C-N 3.3Å; T116-T118 PolarHBondContact O-N 3.14Å; T118-V182 HydrophobicContact CG2-CB 4.05Å; T118-V182 HydrophobicContact CG2-CG1 3.85Å; T118-V182 HydrophobicContact CG2-CG2 4.01Å; T118-N184 PolarHBondContact O-ND2 3.03Å; T118-I186 HydrophobicContact CG2-CD1 3.57Å; T118-N190 PolarHBondContact O-ND2 2.83Å; T118-Y193 VanDerWaalsContact OG1-C 3.23Å; T118-Y193 WeakPolarHBondContact OG1-CB 3.39Å; T118-Y193 PolarHBondContact OG1-O 2.86Å; T118-F194 HydrophobicContact CG2-CB 4.03Å; T118-F194 HydrophobicContact CG2-CD2 3.99Å; T118-F194 PolarHBondContact OG1-N 3.46Å
119C98.1Very high97.3Very high25 Ų2548.4 Ų48.417%0.16928%0.278CS..Hα-helixtrans-66-43.5-178.7-66.30000112.4F115 T116 L117 V182 N184F115-C119 PolarHBondContact O-N 3.49Å; F115-C119 PolarHBondContact O-SG 3.48Å; T116-C119 WeakPolarHBondContact O-CB 3.4Å; T116-C119 PolarHBondContact O-N 3.4Å; T116-C119 VanDerWaalsContact O-N 3.09Å; L117-C119 VanDerWaalsContact C-N 3.32Å; L117-C119 PolarHBondContact O-N 3.2Å; C119-V182 PolarHBondContact SG-O 3.5Å; C119-N184 PolarHBondContact O-ND2 3.06Å; C119-N184 VanDerWaalsContact O-ND2 3.16Å
120V97.6Very high97.1Very high107 Ų10745.3 Ų45.365%0.64826%0.258SS*.Hα-helixtrans-98.1-20.7-169.3-52.80000114.2T116 L117T116-V120 HydrophobicContact CG2-CG1 4.49Å; T116-V120 WeakPolarHBondContact O-CG2 3.34Å; T116-V120 PolarHBondContact O-N 2.95Å; L117-V120 PolarHBondContact O-N 3.39Å
121T97.6Very high96.8Very high32 Ų3243.4 Ų43.420%0.19625%0.245CC..SBendtrans-69.6135.4-178.2-60.90000110.6L117 P123 N184 N190 Y193L117-T121 WeakPolarHBondContact O-CB 3.21Å; L117-T121 PolarHBondContact O-N 3.29Å; L117-T121 PolarHBondContact O-OG1 2.85Å; T121-P123 WeakPolarHBondContact O-CD 3.34Å; T121-N184 PolarHBondContact O-ND2 3.37Å; T121-N190 HydrophobicContact CG2-CB 3.96Å; T121-Y193 HydrophobicContact CG2-CD2 4.41Å; T121-Y193 HydrophobicContact CG2-CE2 4.08Å
122N97.1Very high96.5Very high72 Ų7247.9 Ų47.939%0.38527%0.268SS..  trans-58.6121.2171-178.4-28.7000109.2G124 I125 W189N122-G124 PolarHBondContact O-N 3.16Å; N122-G124 VanDerWaalsContact O-N 3.13Å; N122-G124 PolarHBondContact OD1-N 3.45Å; N122-I125 WeakPolarHBondContact OD1-CG1 3.42Å; N122-I125 PolarHBondContact OD1-N 3Å; N122-W189 HydrophobicContact CB-CE3 4.37Å; N122-W189 VanDerWaalsContact O-CB 3.31Å; N122-W189 WeakPolarHBondContact O-CB 3.43Å
123P97.1Very high96.1Very high2 Ų247.5 Ų47.51%0.01327%0.266CS..  trans-73.2-2.9-175.530.6-37.7000114.5T121 I125 V172 C185 G187 A188 W189T121-P123 WeakPolarHBondContact O-CD 3.34Å; P123-I125 HydrophobicContact CG-CG1 4.08Å; P123-V172 HydrophobicContact CB-CG1 3.98Å; P123-V172 HydrophobicContact CG-CG1 4.26Å; P123-V172 HydrophobicContact CG-CG2 4.31Å; P123-C185 HydrophobicContact CB-CB 4.08Å; P123-C185 VanDerWaalsContact CB-O 3.29Å; P123-C185 WeakPolarHBondContact CB-O 3.48Å; P123-C185 HydrophobicContact CG-CB 4Å; P123-G187 CarbonylContact O-C 3.31Å; P123-G187 VanDerWaalsContact O-C 3.31Å; P123-G187 WeakPolarHBondContact O-CA 3.36Å; P123-A188 PolarHBondContact O-N 3.43Å; P123-A188 VanDerWaalsContact O-N 3.13Å; P123-W189 PolarHBondContact O-N 3.39Å
124G95.9Very high95.9Very high0 Ų041.2 Ų41.20%024%0.238CC..  trans107.746.4-169.800000111.9N122 I126 H173N122-G124 PolarHBondContact O-N 3.16Å; N122-G124 VanDerWaalsContact O-N 3.13Å; N122-G124 PolarHBondContact OD1-N 3.45Å; G124-I126 PolarHBondContact O-N 3.18Å; G124-H173 WeakPolarHBondContact O-CB 3.36Å; G124-H173 PolarHBondContact O-N 3.48Å
125I96.8Very high95.5Very high36 Ų3642.3 Ų42.319%0.18524%0.244CC..EExtended strand (participates in β ladder)trans-63.6126.9-179.4-63.4169.8000110.3N122 P123 T127 N130 W170N122-I125 WeakPolarHBondContact OD1-CG1 3.42Å; N122-I125 PolarHBondContact OD1-N 3Å; P123-I125 HydrophobicContact CG-CG1 4.08Å; I125-T127 HydrophobicContact CG2-CG2 4.27Å; I125-N130 PolarHBondContact O-ND2 3.16Å; I125-W170 HydrophobicContact CD1-CD2 3.99Å; I125-W170 HydrophobicContact CD1-CE3 4.45Å; I125-W170 HydrophobicContact CD1-CG 4.41Å; I125-W170 HydrophobicContact CD1-CH2 4.23Å; I125-W170 HydrophobicContact CD1-CZ2 3.81Å; I125-W170 HydrophobicContact CG1-CD2 4.3Å; I125-W170 HydrophobicContact CG1-CG 4.21Å; I125-W170 HydrophobicContact CG2-CB 4.17Å; I125-W170 HydrophobicContact CG2-CG 4.23Å
126I96.6Very high95.1Very high5 Ų549.9 Ų49.93%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-94.1127.4177.6-55.4163.7000108.7G124 N130 E131 F134 L156 P159 C171 H173G124-I126 PolarHBondContact O-N 3.18Å; I126-N130 WeakPolarHBondContact CA-OD1 3.11Å; I126-E131 HydrophobicContact CG2-CB 4.02Å; I126-F134 HydrophobicContact CG1-CD2 4.08Å; I126-F134 HydrophobicContact CG1-CE2 4.34Å; I126-F134 HydrophobicContact CG2-CD2 4.38Å; I126-L156 HydrophobicContact CG2-CD1 4.27Å; I126-L156 WeakPolarHBondContact O-CD1 3.46Å; I126-P159 HydrophobicContact CD1-CG 3.85Å; I126-C171 HydrophobicContact CB-CB 4.08Å; I126-C171 HydrophobicContact CD1-CB 4.23Å; I126-C171 PolarHBondContact N-O 3.47Å; I126-H173 HydrophobicContact CD1-CB 4.02Å; I126-H173 HydrophobicContact CG1-CB 4.02Å
127T95.7Very high94.8Very high62 Ų6248 Ų4838%0.3827%0.267SS..  trans-122.4170.6177.470.80000109.9I125 A129 N130 E131 L156I125-T127 HydrophobicContact CG2-CG2 4.27Å; T127-A129 PolarHBondContact O-N 3.49Å; T127-A129 PolarHBondContact OG1-N 3.21Å; T127-N130 PolarHBondContact N-OD1 2.65Å; T127-N130 PolarHBondContact O-N 3.44Å; T127-N130 PolarHBondContact O-OD1 3.2Å; T127-N130 VanDerWaalsContact O-OD1 3.05Å; T127-E131 WeakPolarHBondContact O-CB 3.49Å; T127-E131 PolarHBondContact O-N 3.09Å; T127-L156 VanDerWaalsContact C-CD2 3.42Å
128K93.6Very high94.5Very high103 Ų10347.1 Ų47.145%0.44826%0.262SS..THydrogen-bonded Turntrans-59.4-31.6176.2-79.5-74.4160.4-159.20112.9E131 A155 L156K128-E131 WeakPolarHBondContact CD-OE1 3.42Å; K128-E131 IonicContact NZ-OE1 3.37Å; K128-E131 PolarHBondContact NZ-OE1 2.97Å; K128-E131 IonicContact NZ-OE2 3.12Å; K128-E131 PolarHBondContact NZ-OE2 3.46Å; K128-E131 VanDerWaalsContact NZ-OE2 3.08Å; K128-A155 VanDerWaalsContact CE-O 3.29Å; K128-A155 WeakPolarHBondContact CE-O 3.2Å; K128-A155 PolarHBondContact NZ-O 3.45Å; K128-L156 HydrophobicContact CB-CD2 4.25Å; K128-L156 HydrophobicContact CD-CD2 3.71Å; K128-L156 HydrophobicContact CG-CD2 3.7Å; K128-L156 VanDerWaalsContact N-CD2 3.35Å
129A92.4Very high94.1Very high96 Ų9654 Ų5479%0.79329%0.293SS*.THydrogen-bonded Turntrans-71.3-30.7-178.900000113T127T127-A129 PolarHBondContact O-N 3.49Å; T127-A129 PolarHBondContact OG1-N 3.21Å
130N93.2Very high93.7Very high33 Ų3354.6 Ų54.618%0.17629%0.293CS..THydrogen-bonded Turntrans-114-3.6-174.367.621.2000114.2I125 I126 T127 L132 L133 F134I125-N130 PolarHBondContact O-ND2 3.16Å; I126-N130 WeakPolarHBondContact CA-OD1 3.11Å; T127-N130 PolarHBondContact N-OD1 2.65Å; T127-N130 PolarHBondContact O-N 3.44Å; T127-N130 PolarHBondContact O-OD1 3.2Å; T127-N130 VanDerWaalsContact O-OD1 3.05Å; N130-L132 VanDerWaalsContact C-N 3.27Å; N130-L132 PolarHBondContact O-N 2.96Å; N130-L133 HydrophobicContact CB-CD1 4.42Å; N130-L133 WeakPolarHBondContact O-CB 3.39Å; N130-L133 PolarHBondContact O-N 3.36Å; N130-F134 HydrophobicContact CB-CD2 4.22Å; N130-F134 HydrophobicContact CB-CE2 4.03Å; N130-F134 WeakPolarHBondContact O-CD2 3.41Å; N130-F134 PolarHBondContact O-N 3.18Å
131E92.6Very high93.2Very high20 Ų2050.8 Ų50.89%0.09327%0.269CS..Hα-helixtrans-55.4-40-175.971179.816600112.9I126 T127 K128 L133 F134 L135 L156 R157I126-E131 HydrophobicContact CG2-CB 4.02Å; T127-E131 WeakPolarHBondContact O-CB 3.49Å; T127-E131 PolarHBondContact O-N 3.09Å; K128-E131 WeakPolarHBondContact CD-OE1 3.42Å; K128-E131 IonicContact NZ-OE1 3.37Å; K128-E131 PolarHBondContact NZ-OE1 2.97Å; K128-E131 IonicContact NZ-OE2 3.12Å; K128-E131 PolarHBondContact NZ-OE2 3.46Å; K128-E131 VanDerWaalsContact NZ-OE2 3.08Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 3.41Å; E131-F134 PolarHBondContact O-N 2.83Å; E131-L135 WeakPolarHBondContact O-CG 3.17Å; E131-L135 PolarHBondContact O-N 2.88Å; E131-L156 HydrophobicContact CB-CD2 4.13Å; E131-L156 HydrophobicContact CG-CD2 4.45Å; E131-L156 WeakPolarHBondContact OE2-CA 3.41Å; E131-L156 WeakPolarHBondContact OE2-CB 3.28Å; E131-L156 VanDerWaalsContact OE2-CD2 3.24Å; E131-L156 WeakPolarHBondContact OE2-CD2 3.36Å; E131-R157 PolarHBondContact OE2-N 3.48Å
132L91.9Very high92.6Very high93 Ų9353.4 Ų53.449%0.48728%0.279SS..Hα-helixtrans-67.8-31.9-179.7-64.3179.1000113.1N130 L135 H136N130-L132 VanDerWaalsContact C-N 3.27Å; N130-L132 PolarHBondContact O-N 2.96Å; L132-L135 HydrophobicContact CD2-CD1 3.93Å; L132-H136 PolarHBondContact O-ND1 3.48Å
133L91.5Very high91.9Very high55 Ų5553 Ų5329%0.28828%0.279SS..Hα-helixtrans-70.1-41.3178.5-61.5171.2000110.3N130 E131 L135 P336N130-L133 HydrophobicContact CB-CD1 4.42Å; N130-L133 WeakPolarHBondContact O-CB 3.39Å; N130-L133 PolarHBondContact O-N 3.36Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 3.41Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L133-L135 PolarHBondContact O-N 3.3Å; L133-P336 HydrophobicContact CB-CB 3.49Å; L133-P336 VanDerWaalsContact CB-CB 3.49Å; L133-P336 HydrophobicContact CB-CG 4.28Å; L133-P336 HydrophobicContact CD1-CB 4.4Å; L133-P336 HydrophobicContact CG-CB 4.44Å
134F92.8Very high91.3Very high2 Ų254 Ų541%0.00928%0.284CS..Hα-helixtrans-71.8-24.6179.7-73.9-68.8000114.1I126 N130 E131 H136 V137 P159 H173 W189 P336I126-F134 HydrophobicContact CG1-CD2 4.08Å; I126-F134 HydrophobicContact CG1-CE2 4.34Å; I126-F134 HydrophobicContact CG2-CD2 4.38Å; N130-F134 HydrophobicContact CB-CD2 4.22Å; N130-F134 HydrophobicContact CB-CE2 4.03Å; N130-F134 WeakPolarHBondContact O-CD2 3.41Å; N130-F134 PolarHBondContact O-N 3.18Å; E131-F134 PolarHBondContact O-N 2.83Å; F134-H136 PolarHBondContact O-N 2.91Å; F134-H136 VanDerWaalsContact O-N 3.12Å; F134-V137 HydrophobicContact CD1-CG2 4.24Å; F134-V137 PolarHBondContact O-N 2.75Å; F134-P159 HydrophobicContact CB-CB 3.97Å; F134-P159 HydrophobicContact CB-CG 3.39Å; F134-H173 HydrophobicContact CD1-CB 4.06Å; F134-H173 AromaticContact CD1-CD2 3.55Å; F134-H173 AromaticContact CD1-CE1 3.56Å; F134-H173 AromaticContact CD1-CG 3.44Å; F134-H173 VanDerWaalsContact CD1-CG 3.44Å; F134-H173 AromaticContact CD1-ND1 3.46Å; F134-H173 WeakPolarHBondContact CD1-ND1 3.33Å; F134-H173 AromaticContact CD1-NE2 3.61Å; F134-H173 HydrophobicContact CE1-CB 3.94Å; F134-H173 AromaticContact CE1-CD2 3.48Å; F134-H173 VanDerWaalsContact CE1-CD2 3.48Å; F134-H173 WeakPolarHBondContact CE1-CD2 3.36Å; F134-H173 AromaticContact CE1-CG 3.6Å; F134-H173 AromaticContact CE1-NE2 3.92Å; F134-H173 HydrophobicContact CZ-CB 4.42Å; F134-W189 HydrophobicContact CE1-CZ2 4.05Å; F134-W189 AromaticContact CZ-CH2 3.88Å; F134-W189 HydrophobicContact CZ-CH2 3.88Å; F134-W189 AromaticContact CZ-CZ2 3.64Å; F134-W189 HydrophobicContact CZ-CZ2 3.64Å; F134-P336 HydrophobicContact CD1-CG 3.88Å; F134-P336 HydrophobicContact CE1-CG 3.59Å; F134-P336 HydrophobicContact CE2-CG 4.36Å; F134-P336 HydrophobicContact CG-CG 4.39Å; F134-P336 HydrophobicContact CZ-CG 3.86Å
135L92.1Very high91Very high29 Ų2954.7 Ų54.715%0.15229%0.287CS..THydrogen-bonded Turntrans-58.5-23.8178.3-75.9173.4000113.6E131 L132 L133 F140 R157E131-L135 WeakPolarHBondContact O-CG 3.17Å; E131-L135 PolarHBondContact O-N 2.88Å; L132-L135 HydrophobicContact CD2-CD1 3.93Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L133-L135 PolarHBondContact O-N 3.3Å; L135-F140 HydrophobicContact CD2-CZ 3.97Å; L135-F140 WeakPolarHBondContact O-CE2 3.32Å; L135-R157 HydrophobicContact CD1-CB 4.24Å; L135-R157 HydrophobicContact CD2-CB 4.16Å
136H89.5Confident90.6Very high164 Ų16455.7 Ų55.776%0.75930%0.296SS*.THydrogen-bonded Turntrans-104.10.8-175.8-57.188.8000113.2L132 F134L132-H136 PolarHBondContact O-ND1 3.48Å; F134-H136 PolarHBondContact O-N 2.91Å; F134-H136 VanDerWaalsContact O-N 3.12Å
137V91.6Very high90.3Very high34 Ų3460.7 Ų60.721%0.20632%0.318CS..THydrogen-bonded Turntrans-76.8-39.5-176.61760000111.8F134 A334 P336F134-V137 HydrophobicContact CD1-CG2 4.24Å; F134-V137 PolarHBondContact O-N 2.75Å; V137-A334 HydrophobicContact CG1-CB 3.84Å; V137-P336 HydrophobicContact CG2-CB 4.37Å
138Y91.9Very high89.9Confident20 Ų2064.8 Ų64.88%0.07834%0.337CS..SBendtrans-125.4140.7179.4-66.4-65.2000110.3R161 H173 R174 E329Y138-R161 HydrophobicContact CD2-CB 4.39Å; Y138-R161 HydrophobicContact CD2-CG 4.3Å; Y138-R161 HydrophobicContact CG-CG 4.31Å; Y138-H173 AromaticContact CD2-CE1 3.46Å; Y138-H173 VanDerWaalsContact CD2-CE1 3.46Å; Y138-H173 WeakPolarHBondContact CD2-CE1 3.36Å; Y138-H173 AromaticContact CD2-NE2 3.83Å; Y138-H173 AromaticContact CE2-CE1 3.41Å; Y138-H173 VanDerWaalsContact CE2-CE1 3.41Å; Y138-H173 WeakPolarHBondContact CE2-CE1 3.41Å; Y138-H173 AromaticContact CE2-NE2 3.28Å; Y138-H173 VanDerWaalsContact CE2-NE2 3.28Å; Y138-H173 WeakPolarHBondContact CE2-NE2 3.26Å; Y138-R174 HydrophobicContact CE2-CB 4.17Å; Y138-R174 HydrophobicContact CE2-CG 4.45Å; Y138-R174 WeakPolarHBondContact OH-CD 3.49Å; Y138-E329 VanDerWaalsContact CE1-OE1 3.24Å; Y138-E329 WeakPolarHBondContact CE1-OE1 3.49Å; Y138-E329 VanDerWaalsContact CZ-OE1 3.28Å; Y138-E329 PolarHBondContact OH-OE1 2.75Å
139E90.6Very high89.8Confident143 Ų14362.5 Ų62.567%0.66833%0.332SS*.  trans-65.9147.8172.9-62.6-171.5147.200111.2A160 I318 H319E139-A160 WeakPolarHBondContact O-CB 3.14Å; E139-I318 HydrophobicContact CB-CD1 4.06Å; E139-H319 PolarHBondContact O-CE1 3.38Å
140F90.5Very high89.9Confident39 Ų3965.1 Ų65.117%0.17132%0.321CS..  trans-91127173.9-65.9-95.5000108.5L135 E142 F145 K147 A160L135-F140 HydrophobicContact CD2-CZ 3.97Å; L135-F140 WeakPolarHBondContact O-CE2 3.32Å; F140-E142 VanDerWaalsContact C-N 3.3Å; F140-F145 WeakPolarHBondContact CB-O 3.22Å; F140-F145 HydrophobicContact CD1-CB 4.41Å; F140-F145 WeakPolarHBondContact CD1-O 3.31Å; F140-K147 HydrophobicContact CB-CD 4.47Å; F140-K147 HydrophobicContact CB-CG 3.72Å; F140-K147 HydrophobicContact CD1-CG 3.89Å; F140-K147 HydrophobicContact CD2-CD 4.45Å; F140-K147 HydrophobicContact CD2-CG 3.8Å; F140-K147 HydrophobicContact CE1-CG 4.46Å; F140-K147 HydrophobicContact CE2-CG 4.38Å; F140-K147 HydrophobicContact CG-CD 4.49Å; F140-K147 HydrophobicContact CG-CG 3.53Å; F140-A160 HydrophobicContact CD1-CB 3.96Å; F140-A160 HydrophobicContact CE1-CB 4.06Å; F140-A160 HydrophobicContact CG-CB 4.23Å; F140-A160 HydrophobicContact CZ-CB 4.42Å
141D85.4Confident90.1Very high27 Ų2764 Ų6414%0.14432%0.316CS..  trans-85.5-4.5177.467.86.7000113.1V143 M144 F145 H315 I318D141-V143 PolarHBondContact O-N 3.24Å; D141-V143 PolarHBondContact OD1-N 3.22Å; D141-M144 PolarHBondContact OD1-N 3.42Å; D141-M144 VanDerWaalsContact OD2-CB 3.28Å; D141-M144 WeakPolarHBondContact OD2-CB 3.44Å; D141-M144 PolarHBondContact OD2-N 2.9Å; D141-F145 PolarHBondContact OD1-N 2.93Å; D141-H315 IonicContact OD2-CD2 3.67Å; D141-H315 IonicContact OD2-NE2 3.78Å; D141-I318 HydrophobicContact CB-CD1 3.76Å; D141-I318 HydrophobicContact CB-CG1 4.28Å
142E84.9Confident90.2Very high86 Ų8668.7 Ų68.740%0.40235%0.351SS..SBendtrans57.6-3.5-175.5-53.4-68.7-178.900115.7F140 F145 P146 K147F140-E142 VanDerWaalsContact C-N 3.3Å; E142-F145 PolarHBondContact N-O 3.03Å; E142-P146 WeakPolarHBondContact OE2-CA 3.33Å; E142-K147 WeakPolarHBondContact OE1-CD 3.21Å; E142-K147 WeakPolarHBondContact OE1-CE 3.36Å; E142-K147 WeakPolarHBondContact OE1-CG 3.27Å; E142-K147 IonicContact OE1-NZ 2.82Å; E142-K147 PolarHBondContact OE1-NZ 3.38Å; E142-K147 PolarHBondContact OE2-N 3.39Å
143V84Confident90.4Very high64 Ų6468.3 Ų68.339%0.38835%0.352SS..SBendtrans-103.4-60.9-179.3179.20000110.2D141 Q313 H315D141-V143 PolarHBondContact O-N 3.24Å; D141-V143 PolarHBondContact OD1-N 3.22Å; V143-Q313 HydrophobicContact CG2-CB 4.09Å; V143-H315 HydrophobicContact CG1-CB 4.28Å
144M84.5Confident90.6Very high23 Ų2367.3 Ų67.311%0.11335%0.35CS..SBendtrans-88.1-32.7176.3-168.9175.8-70.400111.3D141 E289 R292 H315D141-M144 PolarHBondContact OD1-N 3.42Å; D141-M144 VanDerWaalsContact OD2-CB 3.28Å; D141-M144 WeakPolarHBondContact OD2-CB 3.44Å; D141-M144 PolarHBondContact OD2-N 2.9Å; M144-E289 HydrophobicContact SD-CB 4.04Å; M144-E289 HydrophobicContact SD-CG 3.77Å; M144-R292 HydrophobicContact CE-CB 4.07Å; M144-R292 HydrophobicContact CG-CB 4.48Å; M144-R292 HydrophobicContact SD-CB 4.13Å; M144-H315 VanDerWaalsContact CE-NE2 3.33Å; M144-H315 WeakPolarHBondContact CE-NE2 3.49Å
145F89.2Confident90.7Very high15 Ų1569.7 Ų69.77%0.06637%0.37CS..SBendtrans-127.784-176.5-53.9-60.3000110.3F140 D141 E142 A160 R161 E289F140-F145 WeakPolarHBondContact CB-O 3.22Å; F140-F145 HydrophobicContact CD1-CB 4.41Å; F140-F145 WeakPolarHBondContact CD1-O 3.31Å; D141-F145 PolarHBondContact OD1-N 2.93Å; E142-F145 PolarHBondContact N-O 3.03Å; F145-A160 HydrophobicContact CB-CB 4.14Å; F145-A160 HydrophobicContact CG-CB 4.36Å; F145-R161 HydrophobicContact CD2-CG 4.37Å; F145-R161 HydrophobicContact CE2-CG 3.82Å; F145-R161 HydrophobicContact CZ-CB 4.24Å; F145-R161 HydrophobicContact CZ-CG 4.02Å; F145-E289 HydrophobicContact CE2-CG 4.14Å; F145-E289 HydrophobicContact CZ-CG 3.61Å
146P88.1Confident90.8Very high57 Ų5768.7 Ų68.737%0.3736%0.364SS..  trans-69.5146.6173.610.6-4.6000112E142 V149E142-P146 WeakPolarHBondContact OE2-CA 3.33Å; P146-V149 HydrophobicContact CB-CG2 3.95Å; P146-V149 HydrophobicContact CG-CG2 3.71Å; P146-V149 WeakPolarHBondContact O-CG2 3.38Å
147K89.5Confident91.1Very high110 Ų11066.4 Ų66.448%0.47835%0.349SS..THydrogen-bonded Turntrans-66161.1171.7-75.4178.7-161.9135.50111.7F140 E142 V149F140-K147 HydrophobicContact CB-CD 4.47Å; F140-K147 HydrophobicContact CB-CG 3.72Å; F140-K147 HydrophobicContact CD1-CG 3.89Å; F140-K147 HydrophobicContact CD2-CD 4.45Å; F140-K147 HydrophobicContact CD2-CG 3.8Å; F140-K147 HydrophobicContact CE1-CG 4.46Å; F140-K147 HydrophobicContact CE2-CG 4.38Å; F140-K147 HydrophobicContact CG-CD 4.49Å; F140-K147 HydrophobicContact CG-CG 3.53Å; E142-K147 WeakPolarHBondContact OE1-CD 3.21Å; E142-K147 WeakPolarHBondContact OE1-CE 3.36Å; E142-K147 WeakPolarHBondContact OE1-CG 3.27Å; E142-K147 IonicContact OE1-NZ 2.82Å; E142-K147 PolarHBondContact OE1-NZ 3.38Å; E142-K147 PolarHBondContact OE2-N 3.39Å; K147-V149 PolarHBondContact O-N 2.86Å
148N88.1Confident91.2Very high147 Ų14766.9 Ų66.979%0.78635%0.348SS*.THydrogen-bonded Turntrans61.68.1175.1-58.2-42.1000116.4
149V92.3Very high91.3Very high56 Ų5666.1 Ų66.134%0.33935%0.346SS..  trans-68135.5173.2-177.60000110.1P146 K147 K158P146-V149 HydrophobicContact CB-CG2 3.95Å; P146-V149 HydrophobicContact CG-CG2 3.71Å; P146-V149 WeakPolarHBondContact O-CG2 3.38Å; K147-V149 PolarHBondContact O-N 2.86Å; V149-K158 HydrophobicContact CG1-CD 3.92Å; V149-K158 WeakPolarHBondContact O-CB 3.37Å; V149-K158 PolarHBondContact O-N 2.93Å
150R94.9Very high91.5Very high150 Ų15059.4 Ų59.457%0.56632%0.315SS*.BIsolated β-bridgetrans-113.9147.4175.5-59.4-176.877.8167.8-0.9110.9A155 L156 R157R150-A155 PolarHBondContact NH2-O 3.41Å; R150-A155 VanDerWaalsContact NH2-O 3.1Å; R150-L156 CarbonylContact C-O 3.49Å; R150-L156 WeakPolarHBondContact CA-O 3.46Å; R150-L156 WeakPolarHBondContact CB-O 3.41Å; R150-R157 HydrophobicContact CG-CG 4.45Å
151C95.9Very high91.7Very high10 Ų1057.5 Ų57.57%0.06831%0.307CS..  trans-77124.2168.2177.30000108.6C154 A155 L156 K158 C171C151-C154 HydrophobicContact CB-CB 4.3Å; C151-C154 PolarHBondContact SG-N 3.3Å; C151-A155 WeakPolarHBondContact O-CA 3.29Å; C151-A155 PolarHBondContact O-N 2.97Å; C151-L156 PolarHBondContact N-O 3Å; C151-K158 HydrophobicContact CB-CD 4.42Å; C151-K158 HydrophobicContact CB-CG 4.17Å; C151-C171 VanDerWaalsContact SG-SG 3.67Å
152S95.5Very high92.2Very high118 Ų11856.4 Ų56.483%0.82530%0.301SS*.THydrogen-bonded Turntrans-65.3-40.1177.148.60000112.4
153T96Very high92.7Very high85 Ų8555.4 Ų55.452%0.52130%0.295SS..THydrogen-bonded Turntrans-71.7-49.1-178.6-43.40000112.7
154C95.7Very high93.4Very high35 Ų3554.1 Ų54.124%0.23629%0.285CS..THydrogen-bonded Turntrans-90.8-8.3-176-57.30000113.6C151 L156 H164C151-C154 HydrophobicContact CB-CB 4.3Å; C151-C154 PolarHBondContact SG-N 3.3Å; C154-L156 HydrophobicContact CB-CB 4.4Å; C154-L156 HydrophobicContact CB-CD1 3.49Å; C154-L156 VanDerWaalsContact CB-CD1 3.49Å; C154-L156 HydrophobicContact CB-CG 3.85Å; C154-L156 PolarHBondContact O-N 2.86Å; C154-L156 VanDerWaalsContact O-N 3.09Å; C154-H164 VanDerWaalsContact SG-CE1 3.57Å; C154-H164 PolarHBondContact SG-ND1 3.37Å
155A95.2Very high94Very high52 Ų5253.4 Ų53.443%0.4328%0.282SS..  trans56.518-172.500000115.5K128 R150 C151K128-A155 VanDerWaalsContact CE-O 3.29Å; K128-A155 WeakPolarHBondContact CE-O 3.2Å; K128-A155 PolarHBondContact NZ-O 3.45Å; R150-A155 PolarHBondContact NH2-O 3.41Å; R150-A155 VanDerWaalsContact NH2-O 3.1Å; C151-A155 WeakPolarHBondContact O-CA 3.29Å; C151-A155 PolarHBondContact O-N 2.97Å
156L94.6Very high94.3Very high7 Ų757.4 Ų57.44%0.03731%0.312CS..  trans-87.2148.7-178.7-62.7159.8000112.4I126 T127 K128 E131 R150 C151 C154 C171I126-L156 HydrophobicContact CG2-CD1 4.27Å; I126-L156 WeakPolarHBondContact O-CD1 3.46Å; T127-L156 VanDerWaalsContact C-CD2 3.42Å; K128-L156 HydrophobicContact CB-CD2 4.25Å; K128-L156 HydrophobicContact CD-CD2 3.71Å; K128-L156 HydrophobicContact CG-CD2 3.7Å; K128-L156 VanDerWaalsContact N-CD2 3.35Å; E131-L156 HydrophobicContact CB-CD2 4.13Å; E131-L156 HydrophobicContact CG-CD2 4.45Å; E131-L156 WeakPolarHBondContact OE2-CA 3.41Å; E131-L156 WeakPolarHBondContact OE2-CB 3.28Å; E131-L156 VanDerWaalsContact OE2-CD2 3.24Å; E131-L156 WeakPolarHBondContact OE2-CD2 3.36Å; R150-L156 CarbonylContact C-O 3.49Å; R150-L156 WeakPolarHBondContact CA-O 3.46Å; R150-L156 WeakPolarHBondContact CB-O 3.41Å; C151-L156 PolarHBondContact N-O 3Å; C154-L156 HydrophobicContact CB-CB 4.4Å; C154-L156 HydrophobicContact CB-CD1 3.49Å; C154-L156 VanDerWaalsContact CB-CD1 3.49Å; C154-L156 HydrophobicContact CB-CG 3.85Å; C154-L156 PolarHBondContact O-N 2.86Å; C154-L156 VanDerWaalsContact O-N 3.09Å; L156-C171 HydrophobicContact CD1-CB 4.19Å
157R94.6Very high94.6Very high116 Ų11656 Ų5644%0.43830%0.303SS..BIsolated β-bridgetrans-68.1133.7162.1-67.6-179.4179.21610.5107.7E131 L135 R150 P159E131-R157 PolarHBondContact OE2-N 3.48Å; L135-R157 HydrophobicContact CD1-CB 4.24Å; L135-R157 HydrophobicContact CD2-CB 4.16Å; R150-R157 HydrophobicContact CG-CG 4.45Å; R157-P159 VanDerWaalsContact O-CD 3.24Å; R157-P159 WeakPolarHBondContact O-CD 3.29Å
158K93.9Very high94.9Very high44 Ų4451.1 Ų51.119%0.19128%0.282CS..  trans-88.6114.9-177.7-69.9-17271.3-158.80110.4V149 C151 S162V149-K158 HydrophobicContact CG1-CD 3.92Å; V149-K158 WeakPolarHBondContact O-CB 3.37Å; V149-K158 PolarHBondContact O-N 2.93Å; C151-K158 HydrophobicContact CB-CD 4.42Å; C151-K158 HydrophobicContact CB-CG 4.17Å; K158-S162 WeakPolarHBondContact CE-O 3.45Å; K158-S162 PolarHBondContact NZ-O 2.81Å
159P94.8Very high95.3Very high4 Ų449.1 Ų49.13%0.02627%0.271CS..  trans-56.8153.9163.7-24.336000111.7I126 F134 R157 S162I126-P159 HydrophobicContact CD1-CG 3.85Å; F134-P159 HydrophobicContact CB-CB 3.97Å; F134-P159 HydrophobicContact CB-CG 3.39Å; R157-P159 VanDerWaalsContact O-CD 3.24Å; R157-P159 WeakPolarHBondContact O-CD 3.29Å; P159-S162 WeakPolarHBondContact CD-OG 3.46Å; P159-S162 VanDerWaalsContact O-CB 3.27Å; P159-S162 WeakPolarHBondContact O-CB 3.18Å; P159-S162 PolarHBondContact O-N 2.96Å; P159-S162 PolarHBondContact O-OG 3.43Å
160A93.8Very high95.5Very high2 Ų249.8 Ų49.82%0.01727%0.268CS..THydrogen-bonded Turntrans-53.7146.8167.200000110.3E139 F140 F145 S162E139-A160 WeakPolarHBondContact O-CB 3.14Å; F140-A160 HydrophobicContact CD1-CB 3.96Å; F140-A160 HydrophobicContact CE1-CB 4.06Å; F140-A160 HydrophobicContact CG-CB 4.23Å; F140-A160 HydrophobicContact CZ-CB 4.42Å; F145-A160 HydrophobicContact CB-CB 4.14Å; F145-A160 HydrophobicContact CG-CB 4.36Å; A160-S162 PolarHBondContact O-N 2.73Å
161R94.9Very high95.6Very high0 Ų042.7 Ų42.70%024%0.241CC..THydrogen-bonded Turntrans62.18.5-176-45.1-178.373.5172.412116Y138 F145 R174 F175 N284 E289 E329Y138-R161 HydrophobicContact CD2-CB 4.39Å; Y138-R161 HydrophobicContact CD2-CG 4.3Å; Y138-R161 HydrophobicContact CG-CG 4.31Å; F145-R161 HydrophobicContact CD2-CG 4.37Å; F145-R161 HydrophobicContact CE2-CG 3.82Å; F145-R161 HydrophobicContact CZ-CB 4.24Å; F145-R161 HydrophobicContact CZ-CG 4.02Å; R161-R174 CarbonylContact O-C 3.57Å; R161-R174 WeakPolarHBondContact O-CA 3.38Å; R161-R174 PolarHBondContact O-N 2.89Å; R161-F175 PolarHBondContact O-N 3.23Å; R161-N284 PolarHBondContact NH1-OD1 3.12Å; R161-N284 VanDerWaalsContact NH1-OD1 3.15Å; R161-N284 PolarHBondContact NH2-O 2.81Å; R161-N284 PolarHBondContact NH2-OD1 2.92Å; R161-E289 WeakPolarHBondContact CB-OE1 3.39Å; R161-E289 WeakPolarHBondContact CG-OE1 3.38Å; R161-E289 IonicContact CZ-OE1 3.53Å; R161-E289 IonicContact CZ-OE2 3.57Å; R161-E289 IonicContact NE-OE1 2.75Å; R161-E289 PolarHBondContact NE-OE1 3.39Å; R161-E289 IonicContact NE-OE2 3.53Å; R161-E289 IonicContact NH2-OE1 3.41Å; R161-E289 PolarHBondContact NH2-OE1 2.97Å; R161-E289 IonicContact NH2-OE2 2.79Å; R161-E289 PolarHBondContact NH2-OE2 2.93Å; R161-E329 IonicContact NH1-OE1 3.08Å; R161-E329 PolarHBondContact NH1-OE1 2.88Å; R161-E329 VanDerWaalsContact NH1-OE1 3.12Å
162S96.1Very high95.7Very high3 Ų342.2 Ų42.22%0.02124%0.238CC..  trans-92.4151.1177.374.60000114K158 P159 A160 V172K158-S162 WeakPolarHBondContact CE-O 3.45Å; K158-S162 PolarHBondContact NZ-O 2.81Å; P159-S162 WeakPolarHBondContact CD-OG 3.46Å; P159-S162 VanDerWaalsContact O-CB 3.27Å; P159-S162 WeakPolarHBondContact O-CB 3.18Å; P159-S162 PolarHBondContact O-N 2.96Å; P159-S162 PolarHBondContact O-OG 3.43Å; A160-S162 PolarHBondContact O-N 2.73Å; S162-V172 VanDerWaalsContact CA-O 3.28Å; S162-V172 WeakPolarHBondContact CA-O 3.47Å; S162-V172 WeakPolarHBondContact CB-O 3.28Å
163K96.2Very high95.7Very high66 Ų6636.6 Ų36.629%0.28720%0.199SC..EExtended strand (participates in β ladder)trans-146.9144.8175.2179.6169.5167.8-169.30111.9C171 V172 F175 N288K163-C171 WeakPolarHBondContact O-CA 3.2Å; K163-V172 PolarHBondContact N-O 3.16Å; K163-V172 VanDerWaalsContact N-O 3.16Å; K163-V172 PolarHBondContact O-N 2.85Å; K163-F175 HydrophobicContact CB-CB 3.78Å; K163-F175 HydrophobicContact CB-CD1 3.74Å; K163-F175 HydrophobicContact CB-CE1 4.46Å; K163-F175 HydrophobicContact CB-CG 3.76Å; K163-F175 HydrophobicContact CD-CD1 3.64Å; K163-F175 HydrophobicContact CD-CE1 3.67Å; K163-F175 HydrophobicContact CD-CG 4.45Å; K163-F175 HydrophobicContact CD-CZ 4.48Å; K163-F175 HydrophobicContact CG-CD1 4.07Å; K163-F175 HydrophobicContact CG-CE1 4.31Å; K163-F175 HydrophobicContact CG-CG 4.41Å; K163-N288 WeakPolarHBondContact CD-OD1 3.49Å; K163-N288 PolarHBondContact NZ-OD1 3.14Å
164H97.4Very high95.7Very high37 Ų3733 Ų3317%0.17118%0.176CC..EExtended strand (participates in β ladder)trans-78.2125.4168.6-179.984000109.6C154C154-H164 VanDerWaalsContact SG-CE1 3.57Å; C154-H164 PolarHBondContact SG-ND1 3.37Å
165C97.4Very high95.8Very high7 Ų731.8 Ų31.85%0.04717%0.166CC..EExtended strand (participates in β ladder)trans-94.8117.2171179.10000108.9V167 C168 N169 W170 F175 C185C165-V167 VanDerWaalsContact C-N 3.3Å; C165-V167 PolarHBondContact O-N 3.36Å; C165-C168 HydrophobicContact CB-CB 4.19Å; C165-C168 PolarHBondContact O-N 3.35Å; C165-C168 PolarHBondContact SG-N 3.01Å; C165-N169 VanDerWaalsContact O-CA 3.28Å; C165-N169 WeakPolarHBondContact O-CA 3.44Å; C165-N169 PolarHBondContact O-N 3.01Å; C165-W170 PolarHBondContact N-O 3.41Å; C165-W170 PolarHBondContact O-N 3.45Å; C165-F175 HydrophobicContact CB-CE2 4.03Å; C165-C185 VanDerWaalsContact CB-SG 3.57Å
166S95.3Very high96Very high100 Ų10030 Ų3070%0.69915%0.15SC*.THydrogen-bonded Turntrans-67-30.6178.351.40000113.1
167V94.3Very high96.1Very high28 Ų2831.2 Ų31.217%0.1716%0.155CC..THydrogen-bonded Turntrans-69.6-44178.6-175.70000110.9R64 C165 H178R64-V167 HydrophobicContact CG-CG1 3.91Å; C165-V167 VanDerWaalsContact C-N 3.3Å; C165-V167 PolarHBondContact O-N 3.36Å; V167-H178 WeakPolarHBondContact CG1-NE2 3.37Å
168C95.9Very high96.2Very high7 Ų727.5 Ų27.55%0.04714%0.142CC..THydrogen-bonded Turntrans-87.9-14.7178.5-64.70000114.1C165 W170 H178 C185C165-C168 HydrophobicContact CB-CB 4.19Å; C165-C168 PolarHBondContact O-N 3.35Å; C165-C168 PolarHBondContact SG-N 3.01Å; C168-W170 HydrophobicContact CB-CD2 3.9Å; C168-W170 VanDerWaalsContact CB-CE2 3.42Å; C168-W170 HydrophobicContact CB-CG 4.25Å; C168-W170 HydrophobicContact CB-CZ2 3.8Å; C168-W170 VanDerWaalsContact O-CD2 3.24Å; C168-W170 WeakPolarHBondContact O-CZ3 3.36Å; C168-W170 PolarHBondContact O-N 2.91Å; C168-H178 PolarHBondContact SG-CE1 2.91Å; C168-H178 PolarHBondContact SG-ND1 3.49Å; C168-C185 PolarHBondContact SG-SG 3.11Å
169N96Very high96.3Very high105 Ų10526 Ų2656%0.56114%0.137SC*.THydrogen-bonded Turntrans57.540-177.4-161.126.7000115C165C165-N169 VanDerWaalsContact O-CA 3.28Å; C165-N169 WeakPolarHBondContact O-CA 3.44Å; C165-N169 PolarHBondContact O-N 3.01Å
170W96.4Very high96.3Very high69 Ų6927.1 Ų27.126%0.26114%0.144SC..EExtended strand (participates in β ladder)trans-149.7158.9172.549.263.4000112.8I125 C165 C168I125-W170 HydrophobicContact CD1-CD2 3.99Å; I125-W170 HydrophobicContact CD1-CE3 4.45Å; I125-W170 HydrophobicContact CD1-CG 4.41Å; I125-W170 HydrophobicContact CD1-CH2 4.23Å; I125-W170 HydrophobicContact CD1-CZ2 3.81Å; I125-W170 HydrophobicContact CG1-CD2 4.3Å; I125-W170 HydrophobicContact CG1-CG 4.21Å; I125-W170 HydrophobicContact CG2-CB 4.17Å; I125-W170 HydrophobicContact CG2-CG 4.23Å; C165-W170 PolarHBondContact N-O 3.41Å; C165-W170 PolarHBondContact O-N 3.45Å; C168-W170 HydrophobicContact CB-CD2 3.9Å; C168-W170 VanDerWaalsContact CB-CE2 3.42Å; C168-W170 HydrophobicContact CB-CG 4.25Å; C168-W170 HydrophobicContact CB-CZ2 3.8Å; C168-W170 VanDerWaalsContact O-CD2 3.24Å; C168-W170 WeakPolarHBondContact O-CZ3 3.36Å; C168-W170 PolarHBondContact O-N 2.91Å
171C97.9Very high96.3Very high2 Ų232.1 Ų32.11%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-78.9133.6169.9-73.40000110.6I126 C151 L156 K163I126-C171 HydrophobicContact CB-CB 4.08Å; I126-C171 HydrophobicContact CD1-CB 4.23Å; I126-C171 PolarHBondContact N-O 3.47Å; C151-C171 VanDerWaalsContact SG-SG 3.67Å; L156-C171 HydrophobicContact CD1-CB 4.19Å; K163-C171 WeakPolarHBondContact O-CA 3.2Å
172V97.9Very high96.4Very high0 Ų032.1 Ų32.10%016%0.163CC..EExtended strand (participates in β ladder)trans-116.2135.3177.4-178.60000109.2P123 S162 K163 F175 C185P123-V172 HydrophobicContact CB-CG1 3.98Å; P123-V172 HydrophobicContact CG-CG1 4.26Å; P123-V172 HydrophobicContact CG-CG2 4.31Å; S162-V172 VanDerWaalsContact CA-O 3.28Å; S162-V172 WeakPolarHBondContact CA-O 3.47Å; S162-V172 WeakPolarHBondContact CB-O 3.28Å; K163-V172 PolarHBondContact N-O 3.16Å; K163-V172 VanDerWaalsContact N-O 3.16Å; K163-V172 PolarHBondContact O-N 2.85Å; V172-F175 HydrophobicContact CB-CB 4.19Å; V172-F175 HydrophobicContact CB-CD2 3.86Å; V172-F175 HydrophobicContact CG1-CB 4.42Å; V172-F175 HydrophobicContact CG1-CD2 4.28Å; V172-F175 HydrophobicContact CG2-CD2 4.19Å; V172-C185 HydrophobicContact CG2-CB 3.87Å
173H96.4Very high96.4Very high0 Ų032.4 Ų32.40%016%0.164CC..THydrogen-bonded Turntrans-76.4138174.6-175.863.8000111.3G124 I126 F134 Y138 F175 A188G124-H173 WeakPolarHBondContact O-CB 3.36Å; G124-H173 PolarHBondContact O-N 3.48Å; I126-H173 HydrophobicContact CD1-CB 4.02Å; I126-H173 HydrophobicContact CG1-CB 4.02Å; F134-H173 HydrophobicContact CD1-CB 4.06Å; F134-H173 AromaticContact CD1-CD2 3.55Å; F134-H173 AromaticContact CD1-CE1 3.56Å; F134-H173 AromaticContact CD1-CG 3.44Å; F134-H173 VanDerWaalsContact CD1-CG 3.44Å; F134-H173 AromaticContact CD1-ND1 3.46Å; F134-H173 WeakPolarHBondContact CD1-ND1 3.33Å; F134-H173 AromaticContact CD1-NE2 3.61Å; F134-H173 HydrophobicContact CE1-CB 3.94Å; F134-H173 AromaticContact CE1-CD2 3.48Å; F134-H173 VanDerWaalsContact CE1-CD2 3.48Å; F134-H173 WeakPolarHBondContact CE1-CD2 3.36Å; F134-H173 AromaticContact CE1-CG 3.6Å; F134-H173 AromaticContact CE1-NE2 3.92Å; F134-H173 HydrophobicContact CZ-CB 4.42Å; Y138-H173 AromaticContact CD2-CE1 3.46Å; Y138-H173 VanDerWaalsContact CD2-CE1 3.46Å; Y138-H173 WeakPolarHBondContact CD2-CE1 3.36Å; Y138-H173 AromaticContact CD2-NE2 3.83Å; Y138-H173 AromaticContact CE2-CE1 3.41Å; Y138-H173 VanDerWaalsContact CE2-CE1 3.41Å; Y138-H173 WeakPolarHBondContact CE2-CE1 3.41Å; Y138-H173 AromaticContact CE2-NE2 3.28Å; Y138-H173 VanDerWaalsContact CE2-NE2 3.28Å; Y138-H173 WeakPolarHBondContact CE2-NE2 3.26Å; H173-F175 VanDerWaalsContact C-N 3.27Å; H173-F175 PolarHBondContact O-N 3.48Å; H173-A188 PolarHBondContact O-N 3.41Å; H173-A188 VanDerWaalsContact O-N 3.15Å
174R95.9Very high96.5Very high9 Ų929.6 Ų29.63%0.03415%0.152CC..THydrogen-bonded Turntrans43.954.8-171.9-164.3-175.3-174.3-96.40.5111.2Y138 R161 D176 G187 A188 N284 T286 E329Y138-R174 HydrophobicContact CE2-CB 4.17Å; Y138-R174 HydrophobicContact CE2-CG 4.45Å; Y138-R174 WeakPolarHBondContact OH-CD 3.49Å; R161-R174 CarbonylContact O-C 3.57Å; R161-R174 WeakPolarHBondContact O-CA 3.38Å; R161-R174 PolarHBondContact O-N 2.89Å; R174-D176 PolarHBondContact O-N 2.9Å; R174-G187 WeakPolarHBondContact O-CA 3.09Å; R174-A188 HydrophobicContact CB-CB 3.86Å; R174-N284 PolarHBondContact NH2-OD1 3.33Å; R174-T286 HydrophobicContact CG-CG2 3.89Å; R174-E329 IonicContact CZ-OE1 3.63Å; R174-E329 IonicContact NE-OE1 3.97Å; R174-E329 PolarHBondContact NE-OE1 2.81Å; R174-E329 IonicContact NH2-OE1 3.92Å
175F97.6Very high96.5Very high9 Ų927.8 Ų27.84%0.03914%0.144CC..  trans-67126.1-173.2173.2-89.4000110.5R161 K163 C165 V172 H173 H177 C185 T286 N288R161-F175 PolarHBondContact O-N 3.23Å; K163-F175 HydrophobicContact CB-CB 3.78Å; K163-F175 HydrophobicContact CB-CD1 3.74Å; K163-F175 HydrophobicContact CB-CE1 4.46Å; K163-F175 HydrophobicContact CB-CG 3.76Å; K163-F175 HydrophobicContact CD-CD1 3.64Å; K163-F175 HydrophobicContact CD-CE1 3.67Å; K163-F175 HydrophobicContact CD-CG 4.45Å; K163-F175 HydrophobicContact CD-CZ 4.48Å; K163-F175 HydrophobicContact CG-CD1 4.07Å; K163-F175 HydrophobicContact CG-CE1 4.31Å; K163-F175 HydrophobicContact CG-CG 4.41Å; C165-F175 HydrophobicContact CB-CE2 4.03Å; V172-F175 HydrophobicContact CB-CB 4.19Å; V172-F175 HydrophobicContact CB-CD2 3.86Å; V172-F175 HydrophobicContact CG1-CB 4.42Å; V172-F175 HydrophobicContact CG1-CD2 4.28Å; V172-F175 HydrophobicContact CG2-CD2 4.19Å; H173-F175 VanDerWaalsContact C-N 3.27Å; H173-F175 PolarHBondContact O-N 3.48Å; F175-H177 VanDerWaalsContact CZ-C 3.46Å; F175-H177 VanDerWaalsContact CZ-CA 3.5Å; F175-C185 HydrophobicContact CE2-CB 4.35Å; F175-T286 PolarHBondContact O-OG1 3.48Å; F175-N288 HydrophobicContact CD1-CB 3.85Å; F175-N288 HydrophobicContact CE1-CB 4.19Å
176D97.8Very high96.6Very high15 Ų1527.5 Ų27.58%0.0814%0.142CC..  trans-94.2-69.7175-162.579.3000111.4R174 I186 T286 T287 N288R174-D176 PolarHBondContact O-N 2.9Å; D176-I186 HydrophobicContact CB-CB 4.2Å; D176-I186 HydrophobicContact CB-CG2 4.07Å; D176-I186 WeakPolarHBondContact CB-O 3.33Å; D176-I186 PolarHBondContact N-O 3.12Å; D176-T286 WeakPolarHBondContact OD1-CA 3.37Å; D176-T286 VanDerWaalsContact OD1-CB 3.31Å; D176-T286 WeakPolarHBondContact OD1-CB 3.28Å; D176-T287 PolarHBondContact OD1-N 2.59Å; D176-T287 PolarHBondContact OD1-OG1 2.96Å; D176-T287 VanDerWaalsContact OD2-CB 3.3Å; D176-T287 WeakPolarHBondContact OD2-CB 3.35Å; D176-T287 PolarHBondContact OD2-OG1 3.29Å; D176-N288 VanDerWaalsContact O-CB 3.31Å; D176-N288 WeakPolarHBondContact O-CB 3.29Å; D176-N288 PolarHBondContact O-N 3.3Å
177H96.8Very high96.7Very high32 Ų3222.8 Ų22.815%0.14811%0.109CC..EExtended strand (participates in β ladder)trans-157.8171.2176.364.2-78.8000111F175 C179 I186 F194 Y273F175-H177 VanDerWaalsContact CZ-C 3.46Å; F175-H177 VanDerWaalsContact CZ-CA 3.5Å; H177-C179 WeakPolarHBondContact NE2-CB 3.41Å; H177-I186 PolarHBondContact O-N 3.37Å; H177-F194 AromaticContact CE1-CE1 3.81Å; H177-F194 AromaticContact CE1-CZ 3.78Å; H177-F194 AromaticContact NE2-CZ 3.82Å; H177-Y273 PolarHBondContact CE1-OH 2.88Å
178H96.9Very high96.8Very high38 Ų3821.5 Ų21.518%0.17610%0.101CC..EExtended strand (participates in β ladder)trans-96.4125.6164.1177.882.4000108.2V167 C168V167-H178 WeakPolarHBondContact CG1-NE2 3.37Å; C168-H178 PolarHBondContact SG-CE1 2.91Å; C168-H178 PolarHBondContact SG-ND1 3.49Å
179C96.3Very high96.8Very high13 Ų1323.5 Ų23.59%0.08811%0.108CC..EExtended strand (participates in β ladder)trans-110.7113.6-178.1-179.30000109.8H177 W181 V182 N183 N184 I186H177-C179 WeakPolarHBondContact NE2-CB 3.41Å; C179-W181 VanDerWaalsContact C-N 3.27Å; C179-W181 PolarHBondContact O-N 3.26Å; C179-V182 HydrophobicContact CB-CG2 3.64Å; C179-V182 WeakPolarHBondContact O-CG2 3.35Å; C179-V182 PolarHBondContact O-N 3.43Å; C179-N183 PolarHBondContact O-N 2.8Å; C179-N183 VanDerWaalsContact O-N 3.12Å; C179-N184 PolarHBondContact N-O 2.78Å; C179-N184 PolarHBondContact O-N 3.43Å; C179-I186 HydrophobicContact CB-CD1 4.47Å; C179-I186 HydrophobicContact CB-CG1 4.11Å
180V94.4Very high96.9Very high27 Ų2718.5 Ų18.516%0.1648%0.081CC..G310 helixtrans-64.6-33.2179.7-62.80000112F68 V182 N183F68-V180 WeakPolarHBondContact CB-O 3.44Å; F68-V180 HydrophobicContact CD1-CG2 4.38Å; F68-V180 HydrophobicContact CD2-CB 4.06Å; F68-V180 HydrophobicContact CD2-CG2 4.28Å; F68-V180 HydrophobicContact CE1-CG2 4.5Å; F68-V180 HydrophobicContact CE2-CB 4.38Å; F68-V180 HydrophobicContact CE2-CG2 4.39Å; F68-V180 HydrophobicContact CG-CB 4.35Å; F68-V180 HydrophobicContact CG-CG2 4.27Å; V180-V182 VanDerWaalsContact C-N 3.25Å; V180-V182 PolarHBondContact O-N 2.89Å; V180-N183 PolarHBondContact O-N 3.46Å; V180-N183 VanDerWaalsContact O-N 3.11Å
181W94.3Very high96.9Very high107 Ų10715.8 Ų15.841%0.4057%0.072SC..G310 helixtrans-63.8-27.6-179.4-65.1104.6000114.1F68 I69 L71 H72 C179F68-W181 HydrophobicContact CB-CE3 4.29Å; F68-W181 HydrophobicContact CD1-CD2 4.12Å; F68-W181 AromaticContact CD1-CE3 3.89Å; F68-W181 HydrophobicContact CD1-CE3 3.89Å; F68-W181 HydrophobicContact CD1-CH2 4.03Å; F68-W181 HydrophobicContact CD1-CZ2 4.22Å; F68-W181 AromaticContact CD1-CZ3 3.86Å; F68-W181 HydrophobicContact CD1-CZ3 3.86Å; F68-W181 HydrophobicContact CE1-CH2 4.34Å; F68-W181 HydrophobicContact CE1-CZ2 4.34Å; I69-W181 WeakPolarHBondContact CG1-O 3.34Å; L71-W181 HydrophobicContact CD2-CH2 4.4Å; L71-W181 HydrophobicContact CD2-CZ3 4.26Å; H72-W181 HydrophobicContact CB-CE3 4.18Å; H72-W181 HydrophobicContact CB-CZ3 4.49Å; C179-W181 VanDerWaalsContact C-N 3.27Å; C179-W181 PolarHBondContact O-N 3.26Å
182V96.8Very high96.9Very high1 Ų118.5 Ų18.51%0.0068%0.082CC..G310 helixtrans-109.22.7176.5-55.60000112.1F115 T118 C119 C179 V180 N184 I186F115-V182 HydrophobicContact CD2-CG1 4.06Å; F115-V182 HydrophobicContact CE2-CG1 3.83Å; T118-V182 HydrophobicContact CG2-CB 4.05Å; T118-V182 HydrophobicContact CG2-CG1 3.85Å; T118-V182 HydrophobicContact CG2-CG2 4.01Å; C119-V182 PolarHBondContact SG-O 3.5Å; C179-V182 HydrophobicContact CB-CG2 3.64Å; C179-V182 WeakPolarHBondContact O-CG2 3.35Å; C179-V182 PolarHBondContact O-N 3.43Å; V180-V182 VanDerWaalsContact C-N 3.25Å; V180-V182 PolarHBondContact O-N 2.89Å; V182-N184 HydrophobicContact CG2-CB 4.11Å; V182-N184 PolarHBondContact O-N 3.27Å; V182-I186 HydrophobicContact CG2-CD1 4.06Å
183N96.6Very high96.9Very high9 Ų920.8 Ų20.85%0.0489%0.09CC..THydrogen-bonded Turntrans44.339.3-175.2-169.419.8000113.4R64 N65 I69 C179 V180R64-N183 WeakPolarHBondContact CA-OD1 3.37Å; R64-N183 WeakPolarHBondContact CB-OD1 3.39Å; R64-N183 PolarHBondContact NE-OD1 2.76Å; R64-N183 PolarHBondContact NH2-O 2.86Å; N65-N183 PolarHBondContact N-OD1 3.45Å; N65-N183 PolarHBondContact O-ND2 3.13Å; I69-N183 HydrophobicContact CD1-CB 3.55Å; I69-N183 HydrophobicContact CG1-CB 4.16Å; C179-N183 PolarHBondContact O-N 2.8Å; C179-N183 VanDerWaalsContact O-N 3.12Å; V180-N183 PolarHBondContact O-N 3.46Å; V180-N183 VanDerWaalsContact O-N 3.11Å
184N97.8Very high97Very high6 Ų621 Ų213%0.0329%0.091CC..EExtended strand (participates in β ladder)trans-149.2159-176.1-161.58.5000110.9T118 C119 T121 C179 V182T118-N184 PolarHBondContact O-ND2 3.03Å; C119-N184 PolarHBondContact O-ND2 3.06Å; C119-N184 VanDerWaalsContact O-ND2 3.16Å; T121-N184 PolarHBondContact O-ND2 3.37Å; C179-N184 PolarHBondContact N-O 2.78Å; C179-N184 PolarHBondContact O-N 3.43Å; V182-N184 HydrophobicContact CG2-CB 4.11Å; V182-N184 PolarHBondContact O-N 3.27Å
185C98.4Very high97.1Very high0 Ų021.2 Ų21.20%09%0.093CC..EExtended strand (participates in β ladder)trans-74.1148.4166-70.30000110.1P123 C165 C168 V172 F175 N190P123-C185 HydrophobicContact CB-CB 4.08Å; P123-C185 VanDerWaalsContact CB-O 3.29Å; P123-C185 WeakPolarHBondContact CB-O 3.48Å; P123-C185 HydrophobicContact CG-CB 4Å; C165-C185 VanDerWaalsContact CB-SG 3.57Å; C168-C185 PolarHBondContact SG-SG 3.11Å; V172-C185 HydrophobicContact CG2-CB 3.87Å; F175-C185 HydrophobicContact CE2-CB 4.35Å; C185-N190 PolarHBondContact O-ND2 2.98Å
186I98.6Very high97.2Very high0 Ų023.5 Ų23.50%011%0.105CC..EExtended strand (participates in β ladder)trans-98.6125.2165-52.9-52.5000107.5T118 D176 H177 C179 V182 N190 I191 F194T118-I186 HydrophobicContact CG2-CD1 3.57Å; D176-I186 HydrophobicContact CB-CB 4.2Å; D176-I186 HydrophobicContact CB-CG2 4.07Å; D176-I186 WeakPolarHBondContact CB-O 3.33Å; D176-I186 PolarHBondContact N-O 3.12Å; H177-I186 PolarHBondContact O-N 3.37Å; C179-I186 HydrophobicContact CB-CD1 4.47Å; C179-I186 HydrophobicContact CB-CG1 4.11Å; V182-I186 HydrophobicContact CG2-CD1 4.06Å; I186-N190 WeakPolarHBondContact CA-OD1 3.27Å; I186-I191 HydrophobicContact CG2-CB 4.21Å; I186-I191 HydrophobicContact CG2-CD1 3.52Å; I186-I191 HydrophobicContact CG2-CG1 4.46Å; I186-F194 HydrophobicContact CD1-CB 4.05Å; I186-F194 HydrophobicContact CD1-CD2 3.65Å; I186-F194 HydrophobicContact CD1-CE2 4.28Å; I186-F194 HydrophobicContact CD1-CG 3.91Å; I186-F194 HydrophobicContact CG1-CD2 4.04Å; I186-F194 HydrophobicContact CG1-CE2 4.31Å; I186-F194 HydrophobicContact CG1-CG 4.14Å; I186-F194 HydrophobicContact CG2-CB 4.25Å; I186-F194 HydrophobicContact CG2-CD1 4.3Å; I186-F194 HydrophobicContact CG2-CG 4.26Å
187G97.5Very high97.2Very high1 Ų123.5 Ų23.51%0.0110%0.104CC..  trans-151.1-162.3-177.400000112.3P123 R174 W189 N190 I191P123-G187 CarbonylContact O-C 3.31Å; P123-G187 VanDerWaalsContact O-C 3.31Å; P123-G187 WeakPolarHBondContact O-CA 3.36Å; R174-G187 WeakPolarHBondContact O-CA 3.09Å; G187-W189 VanDerWaalsContact C-N 3.26Å; G187-W189 PolarHBondContact O-N 3.41Å; G187-W189 VanDerWaalsContact O-N 3.13Å; G187-N190 PolarHBondContact N-OD1 3.28Å; G187-N190 PolarHBondContact O-N 3.08Å; G187-N190 PolarHBondContact O-OD1 3.05Å; G187-I191 WeakPolarHBondContact O-CB 3.29Å; G187-I191 WeakPolarHBondContact O-CG2 3.46Å; G187-I191 PolarHBondContact O-N 3.46Å; G187-I191 VanDerWaalsContact O-N 3.17Å
188A95.8Very high97.3Very high1 Ų122.1 Ų22.11%0.00810%0.098CC..THydrogen-bonded Turntrans-50.4-42-173.100000114.1P123 H173 R174 P333P123-A188 PolarHBondContact O-N 3.43Å; P123-A188 VanDerWaalsContact O-N 3.13Å; H173-A188 PolarHBondContact O-N 3.41Å; H173-A188 VanDerWaalsContact O-N 3.15Å; R174-A188 HydrophobicContact CB-CB 3.86Å; A188-P333 VanDerWaalsContact O-CB 3.29Å; A188-P333 WeakPolarHBondContact O-CB 3.12Å
189W96.4Very high97.3Very high49 Ų4924.7 Ų24.719%0.18611%0.113CC..THydrogen-bonded Turntrans-98.2-10.8-165.5-64.3-15.4000115.1N122 P123 F134 G187 F335N122-W189 HydrophobicContact CB-CE3 4.37Å; N122-W189 VanDerWaalsContact O-CB 3.31Å; N122-W189 WeakPolarHBondContact O-CB 3.43Å; P123-W189 PolarHBondContact O-N 3.39Å; F134-W189 HydrophobicContact CE1-CZ2 4.05Å; F134-W189 AromaticContact CZ-CH2 3.88Å; F134-W189 HydrophobicContact CZ-CH2 3.88Å; F134-W189 AromaticContact CZ-CZ2 3.64Å; F134-W189 HydrophobicContact CZ-CZ2 3.64Å; G187-W189 VanDerWaalsContact C-N 3.26Å; G187-W189 PolarHBondContact O-N 3.41Å; G187-W189 VanDerWaalsContact O-N 3.13Å; W189-F335 HydrophobicContact CZ2-CD1 4.26Å; W189-F335 HydrophobicContact CZ2-CE1 4.3Å; W189-F335 AromaticContact NE1-CE1 3.96Å
190N97.8Very high97.4Very high0 Ų024.6 Ų24.60%011%0.112CC..THydrogen-bonded Turntrans-121.9-4.1178.969.6-12000114.6T118 T121 C185 I186 G187 R192 Y193 F194T118-N190 PolarHBondContact O-ND2 2.83Å; T121-N190 HydrophobicContact CG2-CB 3.96Å; C185-N190 PolarHBondContact O-ND2 2.98Å; I186-N190 WeakPolarHBondContact CA-OD1 3.27Å; G187-N190 PolarHBondContact N-OD1 3.28Å; G187-N190 PolarHBondContact O-N 3.08Å; G187-N190 PolarHBondContact O-OD1 3.05Å; N190-R192 VanDerWaalsContact C-N 3.26Å; N190-R192 PolarHBondContact O-N 3.33Å; N190-Y193 HydrophobicContact CB-CD2 4.29Å; N190-Y193 PolarHBondContact O-N 3.44Å; N190-Y193 VanDerWaalsContact O-N 3.1Å; N190-F194 PolarHBondContact O-N 3.1Å; N190-F194 VanDerWaalsContact O-N 3.08Å
191I97.5Very high97.6Very high13 Ų1324.3 Ų24.37%0.06711%0.109CC..Hα-helixtrans-55.9-37.4178.6-176.262.5000113.2I186 G187 Y193 F194 L195 I330I186-I191 HydrophobicContact CG2-CB 4.21Å; I186-I191 HydrophobicContact CG2-CD1 3.52Å; I186-I191 HydrophobicContact CG2-CG1 4.46Å; G187-I191 WeakPolarHBondContact O-CB 3.29Å; G187-I191 WeakPolarHBondContact O-CG2 3.46Å; G187-I191 PolarHBondContact O-N 3.46Å; G187-I191 VanDerWaalsContact O-N 3.17Å; I191-Y193 PolarHBondContact O-N 2.86Å; I191-F194 HydrophobicContact CD1-CD1 4.24Å; I191-F194 WeakPolarHBondContact O-CB 3.42Å; I191-F194 PolarHBondContact O-N 2.81Å; I191-L195 HydrophobicContact CD1-CG 4.38Å; I191-L195 HydrophobicContact CG1-CD1 4.38Å; I191-L195 HydrophobicContact CG1-CG 4.44Å; I191-L195 WeakPolarHBondContact O-CG 3.46Å; I191-L195 PolarHBondContact O-N 2.63Å; I191-I330 HydrophobicContact CG1-CG2 4.37Å; I191-I330 HydrophobicContact CG2-CG2 4.12Å
192R97.3Very high97.8Very high59 Ų5920 Ų2022%0.22310%0.095CC..Hα-helixtrans-61.2-42.5176.664.6-171.3179.2-160.6-2112.8N190 F194 L195 I196 F331N190-R192 VanDerWaalsContact C-N 3.26Å; N190-R192 PolarHBondContact O-N 3.33Å; R192-F194 VanDerWaalsContact C-N 3.32Å; R192-L195 PolarHBondContact O-N 2.92Å; R192-I196 VanDerWaalsContact O-CG1 3.31Å; R192-I196 WeakPolarHBondContact O-CG1 3.27Å; R192-I196 PolarHBondContact O-N 3.23Å; R192-F331 HydrophobicContact CB-CD1 3.95Å; R192-F331 HydrophobicContact CB-CE1 4.27Å; R192-F331 WeakPolarHBondContact CD-O 3.47Å; R192-F331 PolarHBondContact NH1-O 3.33Å
193Y98.3Very high97.9Very high47 Ų4721.5 Ų21.518%0.18411%0.107CC..Hα-helixtrans-68.5-38.4178.4-54.9-53.7000110.3L117 T118 T121 N190 I191 I196 Y197L117-Y193 HydrophobicContact CB-CD1 3.97Å; L117-Y193 HydrophobicContact CB-CD2 3.98Å; L117-Y193 HydrophobicContact CB-CE1 4.42Å; L117-Y193 HydrophobicContact CB-CE2 4.42Å; L117-Y193 HydrophobicContact CB-CG 3.74Å; L117-Y193 HydrophobicContact CD1-CD1 3.61Å; L117-Y193 HydrophobicContact CD1-CE1 3.49Å; L117-Y193 VanDerWaalsContact CD1-CE1 3.49Å; L117-Y193 HydrophobicContact CD1-CG 4.24Å; L117-Y193 HydrophobicContact CG-CD1 4.47Å; T118-Y193 VanDerWaalsContact OG1-C 3.23Å; T118-Y193 WeakPolarHBondContact OG1-CB 3.39Å; T118-Y193 PolarHBondContact OG1-O 2.86Å; T121-Y193 HydrophobicContact CG2-CD2 4.41Å; T121-Y193 HydrophobicContact CG2-CE2 4.08Å; N190-Y193 HydrophobicContact CB-CD2 4.29Å; N190-Y193 PolarHBondContact O-N 3.44Å; N190-Y193 VanDerWaalsContact O-N 3.1Å; I191-Y193 PolarHBondContact O-N 2.86Å; Y193-I196 PolarHBondContact O-N 3.45Å; Y193-Y197 WeakPolarHBondContact O-CB 3.06Å; Y193-Y197 PolarHBondContact O-N 3.46Å
194F98.4Very high97.9Very high5 Ų521.4 Ų21.42%0.02211%0.107CC..Hα-helixtrans-62.6-42.3175.5-177.7-103.1000112.4T118 H177 I186 N190 I191 R192 Y197 L198 Y273T118-F194 HydrophobicContact CG2-CB 4.03Å; T118-F194 HydrophobicContact CG2-CD2 3.99Å; T118-F194 PolarHBondContact OG1-N 3.46Å; H177-F194 AromaticContact CE1-CE1 3.81Å; H177-F194 AromaticContact CE1-CZ 3.78Å; H177-F194 AromaticContact NE2-CZ 3.82Å; I186-F194 HydrophobicContact CD1-CB 4.05Å; I186-F194 HydrophobicContact CD1-CD2 3.65Å; I186-F194 HydrophobicContact CD1-CE2 4.28Å; I186-F194 HydrophobicContact CD1-CG 3.91Å; I186-F194 HydrophobicContact CG1-CD2 4.04Å; I186-F194 HydrophobicContact CG1-CE2 4.31Å; I186-F194 HydrophobicContact CG1-CG 4.14Å; I186-F194 HydrophobicContact CG2-CB 4.25Å; I186-F194 HydrophobicContact CG2-CD1 4.3Å; I186-F194 HydrophobicContact CG2-CG 4.26Å; N190-F194 PolarHBondContact O-N 3.1Å; N190-F194 VanDerWaalsContact O-N 3.08Å; I191-F194 HydrophobicContact CD1-CD1 4.24Å; I191-F194 WeakPolarHBondContact O-CB 3.42Å; I191-F194 PolarHBondContact O-N 2.81Å; R192-F194 VanDerWaalsContact C-N 3.32Å; F194-Y197 HydrophobicContact CD2-CD1 4.05Å; F194-Y197 HydrophobicContact CD2-CE1 4.5Å; F194-Y197 HydrophobicContact CE2-CD1 4.25Å; F194-Y197 HydrophobicContact CE2-CE1 4.29Å; F194-Y197 WeakPolarHBondContact O-CB 3.45Å; F194-Y197 PolarHBondContact O-N 3.45Å; F194-L198 WeakPolarHBondContact O-CB 3.27Å; F194-L198 PolarHBondContact O-N 3.16Å; F194-Y273 HydrophobicContact CE1-CE1 4.13Å; F194-Y273 VanDerWaalsContact CE1-OH 3.31Å; F194-Y273 WeakPolarHBondContact CE1-OH 3.34Å; F194-Y273 AromaticContact CZ-CE1 3.76Å; F194-Y273 HydrophobicContact CZ-CE1 3.76Å; F194-Y273 AromaticContact CZ-CZ 3.88Å; F194-Y273 WeakPolarHBondContact CZ-OH 3.31Å
195L98.3Very high97.8Very high14 Ų1421.4 Ų21.47%0.07311%0.108CC..Hα-helixtrans-66.7-42.4176.8-71.4176.2000112.4I191 R192 L198 L199 A277 A281 I330I191-L195 HydrophobicContact CD1-CG 4.38Å; I191-L195 HydrophobicContact CG1-CD1 4.38Å; I191-L195 HydrophobicContact CG1-CG 4.44Å; I191-L195 WeakPolarHBondContact O-CG 3.46Å; I191-L195 PolarHBondContact O-N 2.63Å; R192-L195 PolarHBondContact O-N 2.92Å; L195-L198 PolarHBondContact O-N 3.41Å; L195-L199 VanDerWaalsContact O-CB 3.3Å; L195-L199 WeakPolarHBondContact O-CB 3.38Å; L195-L199 PolarHBondContact O-N 3.44Å; L195-A277 HydrophobicContact CD2-CB 3.82Å; L195-A281 HydrophobicContact CD1-CB 4.44Å; L195-I330 HydrophobicContact CD1-CG2 3.58Å
196I98.4Very high97.8Very high57 Ų5723 Ų2329%0.29212%0.121SC..Hα-helixtrans-65.6-42.1175.9-62.7165000110.3V110 S114 R192 Y193 L199 T200 F331V110-I196 HydrophobicContact CG1-CG2 4.17Å; S114-I196 VanDerWaalsContact OG-CG2 3.28Å; S114-I196 WeakPolarHBondContact OG-CG2 3.41Å; R192-I196 VanDerWaalsContact O-CG1 3.31Å; R192-I196 WeakPolarHBondContact O-CG1 3.27Å; R192-I196 PolarHBondContact O-N 3.23Å; Y193-I196 PolarHBondContact O-N 3.45Å; I196-L199 PolarHBondContact O-N 2.94Å; I196-T200 HydrophobicContact CG2-CG2 4.29Å; I196-T200 WeakPolarHBondContact O-CB 3.47Å; I196-T200 WeakPolarHBondContact O-CG2 3.31Å; I196-T200 PolarHBondContact O-N 3.38Å; I196-T200 PolarHBondContact O-OG1 3.42Å; I196-F331 HydrophobicContact CD1-CE1 4.29Å; I196-F331 HydrophobicContact CG1-CE1 4.41Å
197Y98.6Very high97.7Very high14 Ų1424.2 Ų24.26%0.05513%0.129CC..Hα-helixtrans-56.3-51.3172.8156.7-109.9000111.1H72 N111 F115 Y193 F194 L199 T200 L201H72-Y197 PolarHBondContact CE1-OH 3.25Å; H72-Y197 AromaticContact NE2-CE2 3.67Å; H72-Y197 PolarHBondContact NE2-OH 3.08Å; N111-Y197 VanDerWaalsContact ND2-CD2 3.29Å; N111-Y197 WeakPolarHBondContact ND2-CD2 3.5Å; N111-Y197 PolarHBondContact ND2-O 2.86Å; F115-Y197 HydrophobicContact CB-CD2 3.71Å; F115-Y197 HydrophobicContact CB-CE2 4.07Å; F115-Y197 HydrophobicContact CB-CG 4.44Å; F115-Y197 AromaticContact CD2-CD2 3.96Å; F115-Y197 HydrophobicContact CD2-CD2 3.96Å; F115-Y197 AromaticContact CD2-CE2 3.57Å; F115-Y197 HydrophobicContact CD2-CE2 3.57Å; F115-Y197 AromaticContact CD2-CZ 3.88Å; F115-Y197 HydrophobicContact CE2-CE2 4.46Å; F115-Y197 HydrophobicContact CG-CD2 4.31Å; F115-Y197 HydrophobicContact CG-CE2 4.22Å; Y193-Y197 WeakPolarHBondContact O-CB 3.06Å; Y193-Y197 PolarHBondContact O-N 3.46Å; F194-Y197 HydrophobicContact CD2-CD1 4.05Å; F194-Y197 HydrophobicContact CD2-CE1 4.5Å; F194-Y197 HydrophobicContact CE2-CD1 4.25Å; F194-Y197 HydrophobicContact CE2-CE1 4.29Å; F194-Y197 WeakPolarHBondContact O-CB 3.45Å; F194-Y197 PolarHBondContact O-N 3.45Å; Y197-L199 PolarHBondContact O-N 2.98Å; Y197-T200 PolarHBondContact O-N 2.84Å; Y197-T200 PolarHBondContact O-OG1 2.87Å; Y197-T200 VanDerWaalsContact O-OG1 3.06Å; Y197-L201 HydrophobicContact CE2-CB 4.47Å; Y197-L201 HydrophobicContact CE2-CD2 4.07Å; Y197-L201 VanDerWaalsContact O-CB 3.29Å; Y197-L201 WeakPolarHBondContact O-CB 3.4Å; Y197-L201 PolarHBondContact O-N 2.9Å
198L98.3Very high97.6Very high3 Ų324.2 Ų24.22%0.01613%0.129CC..Hα-helixtrans-63.3-44.4-179.6-177.958.8000111.7F194 L195 L201 T202 L270 Y273 L274 A277F194-L198 WeakPolarHBondContact O-CB 3.27Å; F194-L198 PolarHBondContact O-N 3.16Å; L195-L198 PolarHBondContact O-N 3.41Å; L198-L201 PolarHBondContact O-N 3.41Å; L198-T202 WeakPolarHBondContact O-CB 3.21Å; L198-T202 PolarHBondContact O-N 3.48Å; L198-T202 PolarHBondContact O-OG1 2.89Å; L198-L270 HydrophobicContact CD1-CD2 4.16Å; L198-Y273 HydrophobicContact CD1-CD1 3.59Å; L198-Y273 HydrophobicContact CD1-CE1 4.11Å; L198-Y273 HydrophobicContact CD2-CD1 3.52Å; L198-Y273 HydrophobicContact CD2-CE1 3.68Å; L198-Y273 HydrophobicContact CD2-CG 4.13Å; L198-Y273 HydrophobicContact CG-CD1 4.22Å; L198-L274 HydrophobicContact CD2-CB 4.18Å; L198-L274 HydrophobicContact CD2-CD1 4.17Å; L198-L274 HydrophobicContact CG-CB 4.15Å; L198-L274 HydrophobicContact CG-CD1 4.07Å; L198-A277 HydrophobicContact CD2-CB 4.06Å
199L98.5Very high97.7Very high93 Ų9324.6 Ų24.649%0.48713%0.131SC..Hα-helixtrans-59-50.2177.1175.664.1000111.8L195 I196 Y197 T202 A203 L274L195-L199 VanDerWaalsContact O-CB 3.3Å; L195-L199 WeakPolarHBondContact O-CB 3.38Å; L195-L199 PolarHBondContact O-N 3.44Å; I196-L199 PolarHBondContact O-N 2.94Å; Y197-L199 PolarHBondContact O-N 2.98Å; L199-T202 PolarHBondContact O-N 2.91Å; L199-A203 VanDerWaalsContact O-CB 3.31Å; L199-A203 WeakPolarHBondContact O-CB 3.38Å; L199-A203 PolarHBondContact O-N 2.65Å; L199-L274 HydrophobicContact CB-CD1 4.26Å; L199-L274 HydrophobicContact CD1-CD2 3.77Å
200T98.6Very high97.6Very high11 Ų1127.2 Ų27.27%0.06715%0.148CC..Hα-helixtrans-69.3-33.3-178.350.80000112.5L107 V110 N111 I196 Y197 S204L107-T200 HydrophobicContact CD2-CG2 4.44Å; V110-T200 HydrophobicContact CB-CG2 4.15Å; V110-T200 HydrophobicContact CG1-CG2 3.8Å; N111-T200 WeakPolarHBondContact CA-OG1 3.41Å; N111-T200 WeakPolarHBondContact CB-OG1 3.45Å; N111-T200 PolarHBondContact ND2-OG1 3.42Å; I196-T200 HydrophobicContact CG2-CG2 4.29Å; I196-T200 WeakPolarHBondContact O-CB 3.47Å; I196-T200 WeakPolarHBondContact O-CG2 3.31Å; I196-T200 PolarHBondContact O-N 3.38Å; I196-T200 PolarHBondContact O-OG1 3.42Å; Y197-T200 PolarHBondContact O-N 2.84Å; Y197-T200 PolarHBondContact O-OG1 2.87Å; Y197-T200 VanDerWaalsContact O-OG1 3.06Å; T200-S204 WeakPolarHBondContact O-CB 3.4Å; T200-S204 PolarHBondContact O-N 3.28Å
201L97.9Very high97.5Very high21 Ų2127.8 Ų27.811%0.1115%0.151CC..Hα-helixtrans-66.2-46.4174.1-171.464.6000111N111 Y197 L198 S204 A205 L270N111-L201 WeakPolarHBondContact ND2-CB 3.31Å; N111-L201 PolarHBondContact ND2-N 3.06Å; Y197-L201 HydrophobicContact CE2-CB 4.47Å; Y197-L201 HydrophobicContact CE2-CD2 4.07Å; Y197-L201 VanDerWaalsContact O-CB 3.29Å; Y197-L201 WeakPolarHBondContact O-CB 3.4Å; Y197-L201 PolarHBondContact O-N 2.9Å; L198-L201 PolarHBondContact O-N 3.41Å; L201-S204 PolarHBondContact O-N 3.14Å; L201-A205 PolarHBondContact O-N 3.07Å; L201-L270 HydrophobicContact CB-CD1 4.4Å; L201-L270 HydrophobicContact CD2-CD1 3.69Å; L201-L270 HydrophobicContact CD2-CD2 4.17Å; L201-L270 HydrophobicContact CG-CD1 3.62Å
202T98.1Very high97.3Very high16 Ų1627.1 Ų27.110%0.09815%0.148CC..Hα-helixtrans-61.6-46.1176-57.60000111.2L198 L199 A205 A206 L270 L274L198-T202 WeakPolarHBondContact O-CB 3.21Å; L198-T202 PolarHBondContact O-N 3.48Å; L198-T202 PolarHBondContact O-OG1 2.89Å; L199-T202 PolarHBondContact O-N 2.91Å; T202-A205 PolarHBondContact O-N 3.01Å; T202-A206 WeakPolarHBondContact O-CB 3.47Å; T202-A206 PolarHBondContact O-N 3.24Å; T202-L270 HydrophobicContact CG2-CB 4.39Å; T202-L270 WeakPolarHBondContact OG1-CB 3.27Å; T202-L274 HydrophobicContact CG2-CD2 4.23Å
203A98.2Very high97.2Very high33 Ų3327 Ų2727%0.27315%0.154SC..Hα-helixtrans-64.7-39.4178.700000112.1L107 L199 A206 T207L107-A203 HydrophobicContact CD1-CB 3.95Å; L107-A203 HydrophobicContact CD2-CB 4.21Å; L199-A203 VanDerWaalsContact O-CB 3.31Å; L199-A203 WeakPolarHBondContact O-CB 3.38Å; L199-A203 PolarHBondContact O-N 2.65Å; A203-A206 PolarHBondContact O-N 3.4Å; A203-T207 WeakPolarHBondContact O-CB 3.43Å; A203-T207 VanDerWaalsContact O-CG2 3.26Å; A203-T207 WeakPolarHBondContact O-CG2 3.28Å; A203-T207 PolarHBondContact O-N 2.85Å; A203-T207 PolarHBondContact O-OG1 3.25Å
204S97.6Very high96.9Very high7 Ų727.2 Ų27.25%0.04916%0.16CC..Hα-helixtrans-60.1-51.6174.3161.10000111.2Y80 T200 L201 A206 T207 V208Y80-S204 WeakPolarHBondContact OH-CB 3.35Å; Y80-S204 PolarHBondContact OH-OG 3.37Å; T200-S204 WeakPolarHBondContact O-CB 3.4Å; T200-S204 PolarHBondContact O-N 3.28Å; L201-S204 PolarHBondContact O-N 3.14Å; S204-A206 VanDerWaalsContact C-N 3.33Å; S204-A206 PolarHBondContact O-N 2.94Å; S204-T207 WeakPolarHBondContact CA-OG1 3.43Å; S204-T207 PolarHBondContact O-N 3.46Å; S204-T207 PolarHBondContact O-OG1 3.12Å; S204-V208 WeakPolarHBondContact O-CG2 3.48Å; S204-V208 PolarHBondContact O-N 3.22Å
205A96.6Very high96.6Very high6 Ų627 Ų275%0.0516%0.159CC..Hα-helixtrans-59.5-43.4178.200000112L201 T202 A209 L266 S267L201-A205 PolarHBondContact O-N 3.07Å; T202-A205 PolarHBondContact O-N 3.01Å; A205-A209 WeakPolarHBondContact O-CB 3.19Å; A205-A209 PolarHBondContact O-N 2.88Å; A205-L266 HydrophobicContact CB-CD2 4.43Å; A205-S267 WeakPolarHBondContact CB-OG 3.24Å; A205-S267 PolarHBondContact O-OG 3.47Å
206A97.1Very high96.2Very high34 Ų3427.2 Ų27.228%0.28116%0.16SC..Hα-helixtrans-66.5-42.417900000112.4T202 A203 S204 A209 I210 S267T202-A206 WeakPolarHBondContact O-CB 3.47Å; T202-A206 PolarHBondContact O-N 3.24Å; A203-A206 PolarHBondContact O-N 3.4Å; S204-A206 VanDerWaalsContact C-N 3.33Å; S204-A206 PolarHBondContact O-N 2.94Å; A206-A209 PolarHBondContact O-N 3.43Å; A206-I210 WeakPolarHBondContact O-CB 3.4Å; A206-I210 WeakPolarHBondContact O-CD1 3.43Å; A206-I210 WeakPolarHBondContact O-CG1 3.17Å; A206-I210 PolarHBondContact O-N 3.47Å; A206-S267 PolarHBondContact N-OG 2.98Å
207T96.9Very high95.8Very high25 Ų2529.1 Ų29.115%0.15317%0.17CC..Hα-helixtrans-66.3-42.7178.748.70000111.8L103 L107 A203 S204 A209 I210 V211L103-T207 HydrophobicContact CD2-CG2 3.82Å; L103-T207 HydrophobicContact CG-CG2 4.32Å; L107-T207 HydrophobicContact CD1-CG2 4.04Å; A203-T207 WeakPolarHBondContact O-CB 3.43Å; A203-T207 VanDerWaalsContact O-CG2 3.26Å; A203-T207 WeakPolarHBondContact O-CG2 3.28Å; A203-T207 PolarHBondContact O-N 2.85Å; A203-T207 PolarHBondContact O-OG1 3.25Å; S204-T207 WeakPolarHBondContact CA-OG1 3.43Å; S204-T207 PolarHBondContact O-N 3.46Å; S204-T207 PolarHBondContact O-OG1 3.12Å; T207-A209 VanDerWaalsContact C-N 3.32Å; T207-A209 PolarHBondContact O-N 3.43Å; T207-I210 PolarHBondContact O-N 3.37Å; T207-V211 WeakPolarHBondContact O-CG2 3.11Å; T207-V211 PolarHBondContact O-N 2.95Å
208V96.3Very high95.3Very high1 Ų132.6 Ų32.61%0.00619%0.187CC..Hα-helixtrans-60.6-42.9173.21730000111Y83 P104 S204 S212 M259 V263Y83-V208 HydrophobicContact CD2-CG1 3.98Å; Y83-V208 HydrophobicContact CD2-CG2 4.27Å; Y83-V208 HydrophobicContact CG-CG2 4.49Å; P104-V208 HydrophobicContact CB-CG2 3.98Å; P104-V208 HydrophobicContact CG-CG2 4.24Å; S204-V208 WeakPolarHBondContact O-CG2 3.48Å; S204-V208 PolarHBondContact O-N 3.22Å; V208-S212 VanDerWaalsContact O-CB 3.28Å; V208-S212 WeakPolarHBondContact O-CB 3.49Å; V208-S212 PolarHBondContact O-N 3.46Å; V208-S212 PolarHBondContact O-OG 3.45Å; V208-M259 HydrophobicContact CG1-CE 4.03Å; V208-M259 HydrophobicContact CG1-SD 4.37Å; V208-V263 HydrophobicContact CG1-CG1 4.24Å; V208-V263 HydrophobicContact CG1-CG2 4.27Å
209A95.9Very high94.8Very high8 Ų834 Ų347%0.06619%0.194CC..Hα-helixtrans-62.5-45.1177.100000112.2A205 A206 T207 T213 L260 V263 V264A205-A209 WeakPolarHBondContact O-CB 3.19Å; A205-A209 PolarHBondContact O-N 2.88Å; A206-A209 PolarHBondContact O-N 3.43Å; T207-A209 VanDerWaalsContact C-N 3.32Å; T207-A209 PolarHBondContact O-N 3.43Å; A209-T213 VanDerWaalsContact O-CB 3.31Å; A209-T213 WeakPolarHBondContact O-CB 3.29Å; A209-T213 PolarHBondContact O-N 2.78Å; A209-T213 PolarHBondContact O-OG1 3.47Å; A209-L260 HydrophobicContact CB-CD1 4.1Å; A209-L260 WeakPolarHBondContact O-CD1 3.34Å; A209-V263 HydrophobicContact CB-CG2 3.73Å; A209-V264 HydrophobicContact CB-CG2 3.95Å
210I95.9Very high94.1Very high105 Ų10530.4 Ų30.454%0.53818%0.176SC..Hα-helixtrans-62.6-52.8178.6-70162.6000110.2A206 T207 S212 T213 T214A206-I210 WeakPolarHBondContact O-CB 3.4Å; A206-I210 WeakPolarHBondContact O-CD1 3.43Å; A206-I210 WeakPolarHBondContact O-CG1 3.17Å; A206-I210 PolarHBondContact O-N 3.47Å; T207-I210 PolarHBondContact O-N 3.37Å; I210-S212 VanDerWaalsContact C-N 3.33Å; I210-S212 PolarHBondContact O-N 3.49Å; I210-T213 PolarHBondContact O-N 3.44Å; I210-T214 WeakPolarHBondContact O-CB 3.49Å; I210-T214 PolarHBondContact O-N 2.85Å; I210-T214 PolarHBondContact O-OG1 2.78Å
211V95.3Very high93.5Very high11 Ų1134.7 Ų34.77%0.06720%0.202CC..Hα-helixtrans-58.5-46.1-179.5172.80000110.9Y83 V87 L101 T207 T213 T214 F215Y83-V211 HydrophobicContact CE2-CB 4.45Å; Y83-V211 HydrophobicContact CE2-CG1 4.08Å; V87-V211 HydrophobicContact CG1-CG1 3.92Å; L101-V211 HydrophobicContact CD2-CG1 3.88Å; T207-V211 WeakPolarHBondContact O-CG2 3.11Å; T207-V211 PolarHBondContact O-N 2.95Å; V211-T213 VanDerWaalsContact C-N 3.34Å; V211-T213 PolarHBondContact O-N 3.23Å; V211-T214 PolarHBondContact O-N 2.88Å; V211-F215 WeakPolarHBondContact O-CB 3.29Å; V211-F215 PolarHBondContact O-N 2.8Å
212S93.8Very high92.7Very high0 Ų040.2 Ų40.20%023%0.229CC..Hα-helixtrans-65.1-37.6179.3-52.70000112.2V208 I210 F215 L216 M259V208-S212 VanDerWaalsContact O-CB 3.28Å; V208-S212 WeakPolarHBondContact O-CB 3.49Å; V208-S212 PolarHBondContact O-N 3.46Å; V208-S212 PolarHBondContact O-OG 3.45Å; I210-S212 VanDerWaalsContact C-N 3.33Å; I210-S212 PolarHBondContact O-N 3.49Å; S212-F215 WeakPolarHBondContact O-CB 3.44Å; S212-L216 WeakPolarHBondContact O-CG 3.17Å; S212-L216 PolarHBondContact O-N 3.3Å; S212-L216 VanDerWaalsContact O-N 3.08Å; S212-M259 WeakPolarHBondContact OG-CE 3.33Å
213T93.6Very high91.5Very high55 Ų5542 Ų4234%0.33724%0.242SC..Hα-helixtrans-67.8-46.3176-57.30000111A209 I210 V211 F215 L216 I217 L260A209-T213 VanDerWaalsContact O-CB 3.31Å; A209-T213 WeakPolarHBondContact O-CB 3.29Å; A209-T213 PolarHBondContact O-N 2.78Å; A209-T213 PolarHBondContact O-OG1 3.47Å; I210-T213 PolarHBondContact O-N 3.44Å; V211-T213 VanDerWaalsContact C-N 3.34Å; V211-T213 PolarHBondContact O-N 3.23Å; T213-F215 VanDerWaalsContact C-N 3.29Å; T213-F215 PolarHBondContact O-N 2.85Å; T213-L216 PolarHBondContact O-N 3.34Å; T213-I217 HydrophobicContact CG2-CD1 3.9Å; T213-I217 HydrophobicContact CG2-CG1 4.49Å; T213-I217 WeakPolarHBondContact O-CG1 3.4Å; T213-I217 PolarHBondContact O-N 2.81Å; T213-L260 WeakPolarHBondContact OG1-CD1 3.33Å
214T93Very high90Very high53 Ų5343.8 Ų43.833%0.32525%0.247SC..Hα-helixtrans-61.6-39.7177.4-57.50000111.1F96 I210 V211 I217 H218F96-T214 HydrophobicContact CE1-CG2 3.67Å; F96-T214 HydrophobicContact CZ-CG2 3.93Å; I210-T214 WeakPolarHBondContact O-CB 3.49Å; I210-T214 PolarHBondContact O-N 2.85Å; I210-T214 PolarHBondContact O-OG1 2.78Å; V211-T214 PolarHBondContact O-N 2.88Å; T214-I217 PolarHBondContact O-N 3.3Å; T214-H218 WeakPolarHBondContact O-CB 3.41Å; T214-H218 PolarHBondContact O-CD2 3.48Å; T214-H218 PolarHBondContact O-N 3.5Å
215F91.6Very high88.4Confident1 Ų144.1 Ų44.10%0.00425%0.248CC..Hα-helixtrans-56.5-53.6171.8166.3-107.9000112.1Y90 L94 V211 S212 T213 I217 H218 L219 I256Y90-F215 HydrophobicContact CD2-CZ 4.3Å; Y90-F215 HydrophobicContact CG-CE2 4.3Å; Y90-F215 HydrophobicContact CG-CZ 4.19Å; L94-F215 HydrophobicContact CD1-CD2 3.63Å; L94-F215 HydrophobicContact CD1-CE2 3.58Å; V211-F215 WeakPolarHBondContact O-CB 3.29Å; V211-F215 PolarHBondContact O-N 2.8Å; S212-F215 WeakPolarHBondContact O-CB 3.44Å; T213-F215 VanDerWaalsContact C-N 3.29Å; T213-F215 PolarHBondContact O-N 2.85Å; F215-I217 VanDerWaalsContact C-N 3.3Å; F215-I217 PolarHBondContact O-N 3.38Å; F215-H218 PolarHBondContact O-N 2.78Å; F215-L219 HydrophobicContact CE1-CD1 4.35Å; F215-L219 HydrophobicContact CE2-CD1 4.25Å; F215-L219 HydrophobicContact CZ-CD1 3.74Å; F215-L219 WeakPolarHBondContact O-CB 3.28Å; F215-L219 PolarHBondContact O-N 3.13Å; F215-I256 HydrophobicContact CD1-CD1 4.2Å; F215-I256 HydrophobicContact CD1-CG2 4.46Å; F215-I256 HydrophobicContact CE1-CD1 3.51Å; F215-I256 HydrophobicContact CZ-CD1 4.33Å
216L90.6Very high86.6Confident17 Ų1750.1 Ų50.19%0.08927%0.27CS..Hα-helixtrans-60.6-40179.9-68.7174.6000111.9S212 T213 L219 V220 L249 I256 V257 L260S212-L216 WeakPolarHBondContact O-CG 3.17Å; S212-L216 PolarHBondContact O-N 3.3Å; S212-L216 VanDerWaalsContact O-N 3.08Å; T213-L216 PolarHBondContact O-N 3.34Å; L216-L219 PolarHBondContact O-N 3.49Å; L216-V220 WeakPolarHBondContact O-CG2 3.31Å; L216-V220 PolarHBondContact O-N 2.87Å; L216-L249 HydrophobicContact CD2-CD2 4.44Å; L216-I256 HydrophobicContact CD1-CG2 4.37Å; L216-I256 HydrophobicContact CD2-CG2 4.22Å; L216-I256 HydrophobicContact CG-CG2 4.34Å; L216-V257 HydrophobicContact CD1-CG2 4.42Å; L216-L260 HydrophobicContact CD1-CD2 3.74Å
217I89.8Confident84.7Confident98 Ų9855.1 Ų55.150%0.50329%0.288SS..Hα-helixtrans-63.4-48.3176-68.2168.3000110.7T213 T214 F215 L219 V220 V221T213-I217 HydrophobicContact CG2-CD1 3.9Å; T213-I217 HydrophobicContact CG2-CG1 4.49Å; T213-I217 WeakPolarHBondContact O-CG1 3.4Å; T213-I217 PolarHBondContact O-N 2.81Å; T214-I217 PolarHBondContact O-N 3.3Å; F215-I217 VanDerWaalsContact C-N 3.3Å; F215-I217 PolarHBondContact O-N 3.38Å; I217-L219 VanDerWaalsContact C-N 3.28Å; I217-L219 PolarHBondContact O-N 3.48Å; I217-V220 PolarHBondContact O-N 3.07Å; I217-V221 HydrophobicContact CG2-CG2 4.4Å; I217-V221 WeakPolarHBondContact O-CG2 3.31Å; I217-V221 PolarHBondContact O-N 3.46Å
218H88.5Confident82.9Confident87 Ų8759.4 Ų59.440%0.40331%0.306SS..Hα-helixtrans-60.3-39.9177.3-95-88.9000111.9F96 T214 F215 V221 M222F96-H218 HydrophobicContact CE2-CB 4.23Å; F96-H218 HydrophobicContact CZ-CB 4.13Å; F96-H218 AromaticContact CZ-CD2 3.71Å; F96-H218 AromaticContact CZ-CG 3.94Å; T214-H218 WeakPolarHBondContact O-CB 3.41Å; T214-H218 PolarHBondContact O-CD2 3.48Å; T214-H218 PolarHBondContact O-N 3.5Å; F215-H218 PolarHBondContact O-N 2.78Å; H218-V221 PolarHBondContact O-N 3.13Å; H218-M222 VanDerWaalsContact O-CB 3.31Å; H218-M222 WeakPolarHBondContact O-CB 3.43Å; H218-M222 VanDerWaalsContact O-CG 3.25Å; H218-M222 WeakPolarHBondContact O-CG 3.46Å; H218-M222 PolarHBondContact O-N 2.93Å
219L86.3Confident81.2Confident31 Ų3162.7 Ų62.716%0.16233%0.327CS..Hα-helixtrans-60.2-48.2176.5-172.9147.6000111.1F215 L216 I217 V221 M222 S223 L225 L249 F253F215-L219 HydrophobicContact CE1-CD1 4.35Å; F215-L219 HydrophobicContact CE2-CD1 4.25Å; F215-L219 HydrophobicContact CZ-CD1 3.74Å; F215-L219 WeakPolarHBondContact O-CB 3.28Å; F215-L219 PolarHBondContact O-N 3.13Å; L216-L219 PolarHBondContact O-N 3.49Å; I217-L219 VanDerWaalsContact C-N 3.28Å; I217-L219 PolarHBondContact O-N 3.48Å; L219-V221 VanDerWaalsContact C-N 3.33Å; L219-V221 PolarHBondContact O-N 3.17Å; L219-M222 PolarHBondContact O-N 3.13Å; L219-S223 WeakPolarHBondContact O-CB 3.3Å; L219-S223 PolarHBondContact O-N 3.33Å; L219-S223 PolarHBondContact O-OG 3.1Å; L219-L225 HydrophobicContact CD2-CD1 4.11Å; L219-L249 HydrophobicContact CD2-CD2 4.11Å; L219-F253 HydrophobicContact CD1-CD2 4.4Å; L219-F253 HydrophobicContact CD1-CE1 4.35Å; L219-F253 HydrophobicContact CD1-CE2 3.46Å; L219-F253 VanDerWaalsContact CD1-CE2 3.46Å; L219-F253 HydrophobicContact CD1-CZ 3.43Å; L219-F253 VanDerWaalsContact CD1-CZ 3.43Å; L219-F253 HydrophobicContact CD2-CE2 3.95Å; L219-F253 HydrophobicContact CG-CE2 4.38Å
220V85.4Confident79.8Confident18 Ų1865 Ų6511%0.10933%0.334CS..Hα-helixtrans-60.2-42.4177.31720000111.8L216 I217 S223 L245 L249L216-V220 WeakPolarHBondContact O-CG2 3.31Å; L216-V220 PolarHBondContact O-N 2.87Å; I217-V220 PolarHBondContact O-N 3.07Å; V220-S223 PolarHBondContact O-OG 2.91Å; V220-L245 HydrophobicContact CG1-CD1 4.16Å; V220-L245 HydrophobicContact CG1-CD2 3.93Å; V220-L245 HydrophobicContact CG2-CD1 4Å; V220-L245 HydrophobicContact CG2-CD2 4.37Å; V220-L245 HydrophobicContact CG2-CG 4.49Å; V220-L249 HydrophobicContact CG2-CD1 3.88Å; V220-L249 HydrophobicContact CG2-CD2 3.98Å; V220-L249 HydrophobicContact CG2-CG 4.35Å
221V84.8Confident78.4Confident101 Ų10164.5 Ų64.561%0.61234%0.336SS*.Hα-helixtrans-70.2-43.1-178.9173.40000111.8I217 H218 L219 D224I217-V221 HydrophobicContact CG2-CG2 4.4Å; I217-V221 WeakPolarHBondContact O-CG2 3.31Å; I217-V221 PolarHBondContact O-N 3.46Å; H218-V221 PolarHBondContact O-N 3.13Å; L219-V221 VanDerWaalsContact C-N 3.33Å; L219-V221 PolarHBondContact O-N 3.17Å; V221-D224 PolarHBondContact O-N 3.4Å
222M80.9Confident77.1Confident137 Ų13765.8 Ų65.868%0.67534%0.342SS*.Hα-helixtrans-75.7-29.3-175.9-70.5-61.1-62.800113.6H218 L219 D224H218-M222 VanDerWaalsContact O-CB 3.31Å; H218-M222 WeakPolarHBondContact O-CB 3.43Å; H218-M222 VanDerWaalsContact O-CG 3.25Å; H218-M222 WeakPolarHBondContact O-CG 3.46Å; H218-M222 PolarHBondContact O-N 2.93Å; L219-M222 PolarHBondContact O-N 3.13Å; M222-D224 VanDerWaalsContact C-N 3.25Å; M222-D224 PolarHBondContact O-N 3.45Å
223S74Confident76.1Confident54 Ų5474.3 Ų74.338%0.37839%0.388SS..THydrogen-bonded Turntrans-83.90.3177.855.20000113.6L219 V220 L225L219-S223 WeakPolarHBondContact O-CB 3.3Å; L219-S223 PolarHBondContact O-N 3.33Å; L219-S223 PolarHBondContact O-OG 3.1Å; V220-S223 PolarHBondContact O-OG 2.91Å; S223-L225 PolarHBondContact O-N 3.24Å; S223-L225 WeakPolarHBondContact OG-CD1 3.43Å; S223-L225 VanDerWaalsContact OG-CG 3.22Å; S223-L225 WeakPolarHBondContact OG-CG 3.42Å
224D67.2Low75.2Confident70 Ų7078.5 Ų78.537%0.37441%0.407SS..THydrogen-bonded Turntrans46.728-173.7-148.720.5000113.5V221 M222 Y226 Q227V221-D224 PolarHBondContact O-N 3.4Å; M222-D224 VanDerWaalsContact C-N 3.25Å; M222-D224 PolarHBondContact O-N 3.45Å; D224-Y226 PolarHBondContact O-N 3.22Å; D224-Q227 VanDerWaalsContact CG-NE2 3.31Å; D224-Q227 PolarHBondContact O-N 2.89Å; D224-Q227 VanDerWaalsContact OD1-CD 3.28Å; D224-Q227 WeakPolarHBondContact OD1-CG 3.49Å; D224-Q227 PolarHBondContact OD1-NE2 3.31Å; D224-Q227 PolarHBondContact OD2-NE2 2.9Å; D224-Q227 PolarHBondContact OD2-OE1 2.93Å
225L63.4Low74.1Confident15 Ų1578.3 Ų78.38%0.07942%0.416CS..THydrogen-bonded Turntrans-54.7-20.2-179.6-91162.4000112.6L219 S223 Q227 M240 L245 Y248L219-L225 HydrophobicContact CD2-CD1 4.11Å; S223-L225 PolarHBondContact O-N 3.24Å; S223-L225 WeakPolarHBondContact OG-CD1 3.43Å; S223-L225 VanDerWaalsContact OG-CG 3.22Å; S223-L225 WeakPolarHBondContact OG-CG 3.42Å; L225-Q227 VanDerWaalsContact C-N 3.34Å; L225-M240 HydrophobicContact CD2-CE 4.23Å; L225-M240 HydrophobicContact CD2-SD 4.18Å; L225-M240 VanDerWaalsContact O-SD 3.35Å; L225-L245 HydrophobicContact CB-CD1 4.29Å; L225-Y248 HydrophobicContact CD1-CD1 4.07Å; L225-Y248 HydrophobicContact CD1-CE1 3.56Å; L225-Y248 HydrophobicContact CD2-CD1 4.03Å; L225-Y248 HydrophobicContact CD2-CE1 3.65Å; L225-Y248 HydrophobicContact CG-CE1 4.31Å
226Y58.5Low73.3Confident131 Ų13183.4 Ų83.451%0.51444%0.44SS..THydrogen-bonded Turntrans-76.5-19.6177.5-137.8-87.1000113.5D224 L245D224-Y226 PolarHBondContact O-N 3.22Å; Y226-L245 HydrophobicContact CD2-CD2 4.28Å; Y226-L245 HydrophobicContact CE2-CD2 4.27Å
227Q57.7Low72.2Confident140 Ų14088.4 Ų88.465%0.65447%0.466SS*.THydrogen-bonded Turntrans-99.8-11.8177.6-67.9-174.849.200113.2D224 L225 T229D224-Q227 VanDerWaalsContact CG-NE2 3.31Å; D224-Q227 PolarHBondContact O-N 2.89Å; D224-Q227 VanDerWaalsContact OD1-CD 3.28Å; D224-Q227 WeakPolarHBondContact OD1-CG 3.49Å; D224-Q227 PolarHBondContact OD1-NE2 3.31Å; D224-Q227 PolarHBondContact OD2-NE2 2.9Å; D224-Q227 PolarHBondContact OD2-OE1 2.93Å; L225-Q227 VanDerWaalsContact C-N 3.34Å; Q227-T229 PolarHBondContact O-N 2.88Å
228E58.1Low71.2Confident114 Ų11488.4 Ų88.453%0.53346%0.463SS..  trans-67.5131.1176-69.9-64.8163.200110.7M240E228-M240 HydrophobicContact CB-SD 4.39Å
229T60.7Low70.3Confident71 Ų7188.8 Ų88.844%0.43647%0.472SS..EExtended strand (participates in β ladder)trans-103.2131.817942.70000109Q227 L237 H238Q227-T229 PolarHBondContact O-N 2.88Å; T229-L237 HydrophobicContact CG2-CD2 4.33Å; T229-H238 WeakPolarHBondContact CA-O 3.35Å
230Y67.8Low69.3Low56 Ų5688.4 Ų88.422%0.2247%0.469CS..EExtended strand (participates in β ladder)trans-106.5151.1173.976.4-87.2000109.9D232 H238 M240 F244Y230-D232 HydrophobicContact CE2-CB 4.28Å; Y230-H238 HydrophobicContact CD1-CB 4.37Å; Y230-H238 HydrophobicContact CE1-CB 3.75Å; Y230-H238 HydrophobicContact CE2-CB 4.34Å; Y230-H238 PolarHBondContact N-O 3.49Å; Y230-H238 PolarHBondContact O-N 3.28Å; Y230-M240 HydrophobicContact CD1-CG 4.06Å; Y230-F244 HydrophobicContact CE1-CD1 4.49Å; Y230-F244 HydrophobicContact CE1-CD2 4.18Å; Y230-F244 HydrophobicContact CE1-CE2 4.45Å; Y230-F244 HydrophobicContact CE1-CG 4.21Å; Y230-F244 HydrophobicContact CE2-CE1 4.19Å; Y230-F244 HydrophobicContact CE2-CE2 4.48Å; Y230-F244 HydrophobicContact CE2-CZ 4.09Å; Y230-F244 AromaticContact CZ-CD2 3.97Å; Y230-F244 AromaticContact CZ-CE2 3.78Å; Y230-F244 AromaticContact CZ-CZ 3.85Å; Y230-F244 WeakPolarHBondContact OH-CD2 3.11Å; Y230-F244 WeakPolarHBondContact OH-CE2 3.32Å; Y230-F244 WeakPolarHBondContact OH-CZ 3.28Å
231V65.3Low68.8Low95 Ų9590.9 Ų90.958%0.57648%0.482SS*.EExtended strand (participates in β ladder)trans-97120176.1-176.70000107.6H236 L237V231-H236 WeakPolarHBondContact CA-O 3.27Å; V231-L237 HydrophobicContact CG2-CG 4.49Å
232D68.8Low68.4Low37 Ų3790 Ų9020%0.19848%0.477CS..  trans-70.3172176.872.83.5000112Y230 L234 G235 H236Y230-D232 HydrophobicContact CE2-CB 4.28Å; D232-L234 PolarHBondContact O-N 3.42Å; D232-L234 VanDerWaalsContact OD1-CA 3.28Å; D232-L234 WeakPolarHBondContact OD1-CA 3.45Å; D232-L234 WeakPolarHBondContact OD1-CB 3.35Å; D232-L234 PolarHBondContact OD1-N 3.13Å; D232-G235 PolarHBondContact O-N 2.67Å; D232-G235 PolarHBondContact OD1-N 3.48Å; D232-H236 PolarHBondContact N-O 2.97Å; D232-H236 IonicContact OD1-CG 2.84Å; D232-H236 PolarHBondContact OD1-N 3.03Å; D232-H236 IonicContact OD1-ND1 3.53Å; D232-H236 IonicContact OD2-CG 3.68Å; D232-H236 IonicContact OD2-ND1 3.72Å; D232-H236 PolarHBondContact OD2-ND1 3.19Å
233D71.3Confident68.2Low180 Ų18087 Ų8796%0.96347%0.466SS*.THydrogen-bonded Turntrans-60.1-11.9177.3-64.3-34.3000113.3
234L75.8Confident68.4Low142 Ų14288.4 Ų88.474%0.74347%0.466SS*.THydrogen-bonded Turntrans-101.7-1.2178.3-74.4137.4000113.1D232D232-L234 PolarHBondContact O-N 3.42Å; D232-L234 VanDerWaalsContact OD1-CA 3.28Å; D232-L234 WeakPolarHBondContact OD1-CA 3.45Å; D232-L234 WeakPolarHBondContact OD1-CB 3.35Å; D232-L234 PolarHBondContact OD1-N 3.13Å
235G69.8Low69Low50 Ų5086 Ų8652%0.51545%0.453SS..SBendtrans86.28178.400000115.7D232D232-G235 PolarHBondContact O-N 2.67Å; D232-G235 PolarHBondContact OD1-N 3.48Å
236H74.6Confident69.9Low108 Ų10889.4 Ų89.450%0.547%0.47SS..  trans-85.4135.4178.3-56107.4000111.6V231 D232 H238V231-H236 WeakPolarHBondContact CA-O 3.27Å; D232-H236 PolarHBondContact N-O 2.97Å; D232-H236 IonicContact OD1-CG 2.84Å; D232-H236 PolarHBondContact OD1-N 3.03Å; D232-H236 IonicContact OD1-ND1 3.53Å; D232-H236 IonicContact OD2-CG 3.68Å; D232-H236 IonicContact OD2-ND1 3.72Å; D232-H236 PolarHBondContact OD2-ND1 3.19Å; H236-H238 PolarHBondContact O-N 2.95Å
237L68Low71Confident122 Ų12285.4 Ų85.464%0.63946%0.456SS*.EExtended strand (participates in β ladder)trans-74114.8168.2-82.797.9000109.7T229 V231T229-L237 HydrophobicContact CG2-CD2 4.33Å; V231-L237 HydrophobicContact CG2-CG 4.49Å
238H67.8Low72.2Confident97 Ų9783.5 Ų83.545%0.44944%0.443SS..EExtended strand (participates in β ladder)trans-110.6139.6169.7-89.9-155.6000110T229 Y230 H236T229-H238 WeakPolarHBondContact CA-O 3.35Å; Y230-H238 HydrophobicContact CD1-CB 4.37Å; Y230-H238 HydrophobicContact CE1-CB 3.75Å; Y230-H238 HydrophobicContact CE2-CB 4.34Å; Y230-H238 PolarHBondContact N-O 3.49Å; Y230-H238 PolarHBondContact O-N 3.28Å; H236-H238 PolarHBondContact O-N 2.95Å
239V69.4Low73.5Confident95 Ų9579 Ų7958%0.57642%0.423SS*.EExtended strand (participates in β ladder)trans-66.1138.7165.8-174.80000107.3D241V239-D241 PolarHBondContact O-N 3.48Å
240M66.6Low74.7Confident24 Ų2476.2 Ų76.212%0.11841%0.405CS..  trans-55.2113.5175.4-85.3-176.561.800110.4L225 E228 Y230 L245L225-M240 HydrophobicContact CD2-CE 4.23Å; L225-M240 HydrophobicContact CD2-SD 4.18Å; L225-M240 VanDerWaalsContact O-SD 3.35Å; E228-M240 HydrophobicContact CB-SD 4.39Å; Y230-M240 HydrophobicContact CD1-CG 4.06Å; M240-L245 HydrophobicContact CE-CB 4.11Å; M240-L245 HydrophobicContact CE-CD1 3.78Å
241D75.3Confident75.6Confident70 Ų7079 Ų7937%0.37442%0.423SS..  trans-75.7169.6171.878.523.5000110.8V239 V243 F244 L245V239-D241 PolarHBondContact O-N 3.48Å; D241-V243 PolarHBondContact O-N 3.2Å; D241-V243 WeakPolarHBondContact OD1-CA 3.3Å; D241-V243 WeakPolarHBondContact OD1-CB 3.44Å; D241-V243 PolarHBondContact OD1-N 2.79Å; D241-F244 PolarHBondContact O-N 3.38Å; D241-F244 VanDerWaalsContact OD1-CD2 3.31Å; D241-F244 WeakPolarHBondContact OD1-CD2 3.46Å; D241-F244 PolarHBondContact OD1-N 2.83Å; D241-F244 WeakPolarHBondContact OD2-CD2 3.38Å; D241-L245 WeakPolarHBondContact O-CB 3.44Å; D241-L245 PolarHBondContact O-N 3.16Å
242T75.4Confident76.6Confident82 Ų8277.4 Ų77.450%0.50341%0.414SS..Hα-helixtrans-64.7-27-179.247.10000113.5I246T242-I246 WeakPolarHBondContact O-CD1 3.31Å; T242-I246 WeakPolarHBondContact O-CG1 3.36Å; T242-I246 PolarHBondContact O-N 2.96Å; T242-I246 VanDerWaalsContact O-N 3.09Å
243V76.8Confident77.6Confident73 Ų7377.1 Ų77.144%0.44241%0.411SS..Hα-helixtrans-75.1-46.7-179.8-179.50000110.1L4 D241 L245 I246 Q247L4-V243 HydrophobicContact CD2-CG1 4.1Å; D241-V243 PolarHBondContact O-N 3.2Å; D241-V243 WeakPolarHBondContact OD1-CA 3.3Å; D241-V243 WeakPolarHBondContact OD1-CB 3.44Å; D241-V243 PolarHBondContact OD1-N 2.79Å; V243-L245 VanDerWaalsContact C-N 3.31Å; V243-L245 PolarHBondContact O-N 3.09Å; V243-I246 PolarHBondContact O-N 2.91Å; V243-Q247 WeakPolarHBondContact O-CB 3.33Å; V243-Q247 PolarHBondContact O-N 2.87Å
244F77.9Confident78.4Confident85 Ų8570.9 Ų70.937%0.37338%0.38SS..Hα-helixtrans-61.3-39.9173.3-84.4-83.6000111.4Y230 D241 Q247 Y248Y230-F244 HydrophobicContact CE1-CD1 4.49Å; Y230-F244 HydrophobicContact CE1-CD2 4.18Å; Y230-F244 HydrophobicContact CE1-CE2 4.45Å; Y230-F244 HydrophobicContact CE1-CG 4.21Å; Y230-F244 HydrophobicContact CE2-CE1 4.19Å; Y230-F244 HydrophobicContact CE2-CE2 4.48Å; Y230-F244 HydrophobicContact CE2-CZ 4.09Å; Y230-F244 AromaticContact CZ-CD2 3.97Å; Y230-F244 AromaticContact CZ-CE2 3.78Å; Y230-F244 AromaticContact CZ-CZ 3.85Å; Y230-F244 WeakPolarHBondContact OH-CD2 3.11Å; Y230-F244 WeakPolarHBondContact OH-CE2 3.32Å; Y230-F244 WeakPolarHBondContact OH-CZ 3.28Å; D241-F244 PolarHBondContact O-N 3.38Å; D241-F244 VanDerWaalsContact OD1-CD2 3.31Å; D241-F244 WeakPolarHBondContact OD1-CD2 3.46Å; D241-F244 PolarHBondContact OD1-N 2.83Å; D241-F244 WeakPolarHBondContact OD2-CD2 3.38Å; F244-Q247 PolarHBondContact O-N 3.47Å; F244-Y248 WeakPolarHBondContact O-CB 3.15Å; F244-Y248 PolarHBondContact O-N 3.23Å
245L81.1Confident79Confident20 Ų2069 Ų6911%0.10536%0.363CS..Hα-helixtrans-61.8-46.8174.9-179.265.3000112.1V220 L225 Y226 M240 D241 V243 Q247 Y248 L249V220-L245 HydrophobicContact CG1-CD1 4.16Å; V220-L245 HydrophobicContact CG1-CD2 3.93Å; V220-L245 HydrophobicContact CG2-CD1 4Å; V220-L245 HydrophobicContact CG2-CD2 4.37Å; V220-L245 HydrophobicContact CG2-CG 4.49Å; L225-L245 HydrophobicContact CB-CD1 4.29Å; Y226-L245 HydrophobicContact CD2-CD2 4.28Å; Y226-L245 HydrophobicContact CE2-CD2 4.27Å; M240-L245 HydrophobicContact CE-CB 4.11Å; M240-L245 HydrophobicContact CE-CD1 3.78Å; D241-L245 WeakPolarHBondContact O-CB 3.44Å; D241-L245 PolarHBondContact O-N 3.16Å; V243-L245 VanDerWaalsContact C-N 3.31Å; V243-L245 PolarHBondContact O-N 3.09Å; L245-Q247 VanDerWaalsContact C-N 3.31Å; L245-Q247 PolarHBondContact O-N 3.33Å; L245-Y248 PolarHBondContact O-N 3.05Å; L245-L249 HydrophobicContact CG-CD1 4.42Å; L245-L249 WeakPolarHBondContact O-CG 3.4Å; L245-L249 PolarHBondContact O-N 2.77Å
246I80.3Confident80Confident86 Ų8666.7 Ų66.744%0.44134%0.339SS..Hα-helixtrans-62.4-42.4176.9-69.8165.3000110.3L4 T242 V243 L249 F250L4-I246 HydrophobicContact CD1-CG2 3.66Å; L4-I246 HydrophobicContact CD2-CB 4.31Å; L4-I246 HydrophobicContact CD2-CG2 3.82Å; L4-I246 HydrophobicContact CG-CG2 4.4Å; T242-I246 WeakPolarHBondContact O-CD1 3.31Å; T242-I246 WeakPolarHBondContact O-CG1 3.36Å; T242-I246 PolarHBondContact O-N 2.96Å; T242-I246 VanDerWaalsContact O-N 3.09Å; V243-I246 PolarHBondContact O-N 2.91Å; I246-L249 PolarHBondContact O-N 2.95Å; I246-F250 VanDerWaalsContact O-CB 3.24Å; I246-F250 WeakPolarHBondContact O-CB 3.31Å; I246-F250 PolarHBondContact O-N 3.22Å
247Q82.3Confident80.8Confident46 Ų4662.8 Ų62.822%0.21532%0.323CS..Hα-helixtrans-63.8-41.9177.3-179166.8-5.700112V243 F244 L245 F250 L251V243-Q247 WeakPolarHBondContact O-CB 3.33Å; V243-Q247 PolarHBondContact O-N 2.87Å; F244-Q247 PolarHBondContact O-N 3.47Å; L245-Q247 VanDerWaalsContact C-N 3.31Å; L245-Q247 PolarHBondContact O-N 3.33Å; Q247-F250 WeakPolarHBondContact O-CB 3.45Å; Q247-F250 PolarHBondContact O-N 3.24Å; Q247-L251 HydrophobicContact CG-CD1 4.09Å; Q247-L251 WeakPolarHBondContact O-CB 3.35Å; Q247-L251 VanDerWaalsContact O-CG 3.29Å; Q247-L251 WeakPolarHBondContact O-CG 3.48Å; Q247-L251 PolarHBondContact O-N 3.42Å
248Y83.6Confident81.8Confident100 Ų10061.4 Ų61.439%0.39231%0.312SS..Hα-helixtrans-61.1-51.1174.5174.9-96.5000111.3L225 F244 L245 F250 L251 T252L225-Y248 HydrophobicContact CD1-CD1 4.07Å; L225-Y248 HydrophobicContact CD1-CE1 3.56Å; L225-Y248 HydrophobicContact CD2-CD1 4.03Å; L225-Y248 HydrophobicContact CD2-CE1 3.65Å; L225-Y248 HydrophobicContact CG-CE1 4.31Å; F244-Y248 WeakPolarHBondContact O-CB 3.15Å; F244-Y248 PolarHBondContact O-N 3.23Å; L245-Y248 PolarHBondContact O-N 3.05Å; Y248-F250 PolarHBondContact O-N 3.32Å; Y248-L251 PolarHBondContact O-N 3.38Å; Y248-T252 WeakPolarHBondContact O-CB 3.29Å; Y248-T252 PolarHBondContact O-N 2.81Å; Y248-T252 PolarHBondContact O-OG1 3.32Å
249L85.3Confident83Confident21 Ų2157.5 Ų57.511%0.1129%0.293CS..Hα-helixtrans-59-38.5177.3-70.6175.4000111.9L216 L219 V220 L245 I246 F253L216-L249 HydrophobicContact CD2-CD2 4.44Å; L219-L249 HydrophobicContact CD2-CD2 4.11Å; V220-L249 HydrophobicContact CG2-CD1 3.88Å; V220-L249 HydrophobicContact CG2-CD2 3.98Å; V220-L249 HydrophobicContact CG2-CG 4.35Å; L245-L249 HydrophobicContact CG-CD1 4.42Å; L245-L249 WeakPolarHBondContact O-CG 3.4Å; L245-L249 PolarHBondContact O-N 2.77Å; I246-L249 PolarHBondContact O-N 2.95Å; L249-F253 HydrophobicContact CD2-CD2 4.42Å; L249-F253 WeakPolarHBondContact O-CA 3.49Å; L249-F253 PolarHBondContact O-N 3.15Å
250F85.3Confident84.1Confident11 Ų1154.1 Ų54.15%0.04827%0.272CS..Hα-helixtrans-65-43.1177.3-169.6-78.5000112.4F3 F7 I246 Q247 Y248 P254 V257 F258F3-F250 AromaticContact CD1-CD1 3.77Å; F3-F250 HydrophobicContact CD1-CD1 3.77Å; F3-F250 AromaticContact CD1-CE1 3.23Å; F3-F250 HydrophobicContact CD1-CE1 3.23Å; F3-F250 HydrophobicContact CD1-CE2 4.47Å; F3-F250 AromaticContact CD1-CZ 3.67Å; F3-F250 HydrophobicContact CD1-CZ 3.67Å; F3-F250 AromaticContact CE1-CD1 4Å; F3-F250 HydrophobicContact CE1-CD1 4Å; F3-F250 AromaticContact CE1-CE1 3.01Å; F3-F250 HydrophobicContact CE1-CE1 3.01Å; F3-F250 HydrophobicContact CE1-CE2 4.04Å; F3-F250 AromaticContact CE1-CZ 3.06Å; F3-F250 HydrophobicContact CE1-CZ 3.06Å; F3-F250 HydrophobicContact CG-CE1 4.26Å; F3-F250 AromaticContact CZ-CE1 3.79Å; F3-F250 HydrophobicContact CZ-CE1 3.79Å; F3-F250 AromaticContact CZ-CZ 3.91Å; F3-F250 HydrophobicContact CZ-CZ 3.91Å; F7-F250 HydrophobicContact CG-CE2 4.42Å; I246-F250 VanDerWaalsContact O-CB 3.24Å; I246-F250 WeakPolarHBondContact O-CB 3.31Å; I246-F250 PolarHBondContact O-N 3.22Å; Q247-F250 WeakPolarHBondContact O-CB 3.45Å; Q247-F250 PolarHBondContact O-N 3.24Å; Y248-F250 PolarHBondContact O-N 3.32Å; F250-P254 WeakPolarHBondContact O-CA 3.35Å; F250-P254 WeakPolarHBondContact O-CB 3.34Å; F250-P254 WeakPolarHBondContact O-CD 3.44Å; F250-V257 HydrophobicContact CD2-CB 4.15Å; F250-V257 HydrophobicContact CD2-CG1 3.51Å; F250-V257 HydrophobicContact CE2-CB 4.49Å; F250-V257 HydrophobicContact CE2-CG1 3.92Å; F250-F258 HydrophobicContact CE1-CE2 4.34Å; F250-F258 HydrophobicContact CE1-CZ 4.27Å; F250-F258 HydrophobicContact CE2-CE1 4.19Å; F250-F258 HydrophobicContact CE2-CZ 4.23Å; F250-F258 HydrophobicContact CZ-CD1 4.41Å; F250-F258 HydrophobicContact CZ-CD2 4.34Å; F250-F258 AromaticContact CZ-CE1 3.78Å; F250-F258 HydrophobicContact CZ-CE1 3.78Å; F250-F258 AromaticContact CZ-CE2 3.68Å; F250-F258 HydrophobicContact CZ-CE2 3.68Å; F250-F258 AromaticContact CZ-CZ 3.4Å; F250-F258 HydrophobicContact CZ-CZ 3.4Å; F250-F258 VanDerWaalsContact CZ-CZ 3.4Å
251L86.6Confident85.1Confident116 Ų11654 Ų5461%0.60728%0.277SS*.Hα-helixtrans-74.4-35.6-180-69.3173.5000112.3Q247 Y248Q247-L251 HydrophobicContact CG-CD1 4.09Å; Q247-L251 WeakPolarHBondContact O-CB 3.35Å; Q247-L251 VanDerWaalsContact O-CG 3.29Å; Q247-L251 WeakPolarHBondContact O-CG 3.48Å; Q247-L251 PolarHBondContact O-N 3.42Å; Y248-L251 PolarHBondContact O-N 3.38Å
252T86.8Confident85.8Confident61 Ų6154.6 Ų54.637%0.37428%0.276SS..Hα-helixtrans-79-40.8-179.2-54.90000111.9Y248 P254Y248-T252 WeakPolarHBondContact O-CB 3.29Å; Y248-T252 PolarHBondContact O-N 2.81Å; Y248-T252 PolarHBondContact O-OG1 3.32Å; T252-P254 WeakPolarHBondContact O-CD 3.39Å
253F89.1Confident86.6Confident31 Ų3150.8 Ų50.814%0.13625%0.253CS..SBendtrans-125.556.1-177.1-56.9-74.4000112.9L219 L249 R255 I256 V257L219-F253 HydrophobicContact CD1-CD2 4.4Å; L219-F253 HydrophobicContact CD1-CE1 4.35Å; L219-F253 HydrophobicContact CD1-CE2 3.46Å; L219-F253 VanDerWaalsContact CD1-CE2 3.46Å; L219-F253 HydrophobicContact CD1-CZ 3.43Å; L219-F253 VanDerWaalsContact CD1-CZ 3.43Å; L219-F253 HydrophobicContact CD2-CE2 3.95Å; L219-F253 HydrophobicContact CG-CE2 4.38Å; L249-F253 HydrophobicContact CD2-CD2 4.42Å; L249-F253 WeakPolarHBondContact O-CA 3.49Å; L249-F253 PolarHBondContact O-N 3.15Å; F253-R255 VanDerWaalsContact C-N 3.29Å; F253-R255 PolarHBondContact O-N 3.36Å; F253-I256 HydrophobicContact CB-CB 4.2Å; F253-I256 HydrophobicContact CB-CD1 4.16Å; F253-I256 HydrophobicContact CB-CG1 4.41Å; F253-I256 HydrophobicContact CD1-CD1 4.01Å; F253-I256 HydrophobicContact CG-CD1 4.33Å; F253-I256 PolarHBondContact O-N 3.06Å; F253-V257 WeakPolarHBondContact O-CG2 3.28Å; F253-V257 PolarHBondContact O-N 3.44Å
254P88.5Confident87.3Confident49 Ų4949.7 Ų49.732%0.31825%0.247SC..Hα-helixtrans-59.1-40.3-173.122.4-32.9000112.2F250 T252 V257 F258F250-P254 WeakPolarHBondContact O-CA 3.35Å; F250-P254 WeakPolarHBondContact O-CB 3.34Å; F250-P254 WeakPolarHBondContact O-CD 3.44Å; T252-P254 WeakPolarHBondContact O-CD 3.39Å; P254-V257 PolarHBondContact O-N 2.92Å; P254-F258 HydrophobicContact CB-CD2 4.33Å; P254-F258 HydrophobicContact CB-CE2 4.3Å; P254-F258 WeakPolarHBondContact O-CB 3.15Å; P254-F258 WeakPolarHBondContact O-CD2 3.34Å; P254-F258 WeakPolarHBondContact O-CG 3.44Å; P254-F258 PolarHBondContact O-N 3.45Å
255R89.3Confident87.9Confident103 Ų10347.6 Ų47.639%0.38924%0.24SC..Hα-helixtrans-62.3-47.3-179.5-66.2176.170.9-173.9-1.6112.1E82 E86 F253 F258 M259E82-R255 IonicContact OE1-CZ 3.63Å; E82-R255 IonicContact OE1-NE 3.6Å; E82-R255 IonicContact OE1-NH2 2.75Å; E82-R255 PolarHBondContact OE1-NH2 2.76Å; E82-R255 IonicContact OE2-CZ 3.15Å; E82-R255 IonicContact OE2-NE 2.84Å; E82-R255 PolarHBondContact OE2-NE 3.5Å; E82-R255 IonicContact OE2-NH2 2.83Å; E82-R255 PolarHBondContact OE2-NH2 3.18Å; E86-R255 HydrophobicContact CG-CB 4.2Å; E86-R255 IonicContact OE1-CZ 3.08Å; E86-R255 IonicContact OE1-NE 2.79Å; E86-R255 IonicContact OE1-NH1 2.61Å; E86-R255 PolarHBondContact OE1-NH1 3.46Å; E86-R255 IonicContact OE1-NH2 3.76Å; F253-R255 VanDerWaalsContact C-N 3.29Å; F253-R255 PolarHBondContact O-N 3.36Å; R255-F258 PolarHBondContact O-N 2.81Å; R255-M259 VanDerWaalsContact O-CB 3.3Å; R255-M259 WeakPolarHBondContact O-CB 3.43Å; R255-M259 PolarHBondContact O-N 2.71Å
256I90.7Very high88.3Confident0 Ų048.9 Ų48.90%025%0.247CC..Hα-helixtrans-63.3-44.7178.2-58.9177.2000110.2E86 V87 F215 L216 F253 M259 L260E86-I256 HydrophobicContact CB-CD1 4.22Å; E86-I256 HydrophobicContact CB-CG1 3.74Å; E86-I256 VanDerWaalsContact O-CD1 3.24Å; E86-I256 WeakPolarHBondContact O-CD1 3.47Å; V87-I256 HydrophobicContact CG2-CG1 4.39Å; V87-I256 HydrophobicContact CG2-CG2 4.34Å; F215-I256 HydrophobicContact CD1-CD1 4.2Å; F215-I256 HydrophobicContact CD1-CG2 4.46Å; F215-I256 HydrophobicContact CE1-CD1 3.51Å; F215-I256 HydrophobicContact CZ-CD1 4.33Å; L216-I256 HydrophobicContact CD1-CG2 4.37Å; L216-I256 HydrophobicContact CD2-CG2 4.22Å; L216-I256 HydrophobicContact CG-CG2 4.34Å; F253-I256 HydrophobicContact CB-CB 4.2Å; F253-I256 HydrophobicContact CB-CD1 4.16Å; F253-I256 HydrophobicContact CB-CG1 4.41Å; F253-I256 HydrophobicContact CD1-CD1 4.01Å; F253-I256 HydrophobicContact CG-CD1 4.33Å; F253-I256 PolarHBondContact O-N 3.06Å; I256-M259 PolarHBondContact O-N 2.9Å; I256-L260 WeakPolarHBondContact O-CB 3.26Å; I256-L260 PolarHBondContact O-N 3.37Å
257V90.7Very high88.8Confident27 Ų2745.7 Ų45.716%0.16423%0.233CC..Hα-helixtrans-67.6-41-178.91790000111.8L216 F250 F253 P254 L260 G261L216-V257 HydrophobicContact CD1-CG2 4.42Å; F250-V257 HydrophobicContact CD2-CB 4.15Å; F250-V257 HydrophobicContact CD2-CG1 3.51Å; F250-V257 HydrophobicContact CE2-CB 4.49Å; F250-V257 HydrophobicContact CE2-CG1 3.92Å; F253-V257 WeakPolarHBondContact O-CG2 3.28Å; F253-V257 PolarHBondContact O-N 3.44Å; P254-V257 PolarHBondContact O-N 2.92Å; V257-L260 PolarHBondContact O-N 3.43Å; V257-G261 PolarHBondContact O-N 3.43Å
258F89.9Confident89.3Confident93 Ų9351.2 Ų51.241%0.40826%0.256SS..Hα-helixtrans-64.8-45.4174.1-79.6-58.3000112.3F3 F7 F250 P254 R255 G261 F262F3-F258 HydrophobicContact CE1-CZ 4.26Å; F3-F258 HydrophobicContact CZ-CZ 4.07Å; F7-F258 HydrophobicContact CD2-CD1 4.36Å; F7-F258 AromaticContact CD2-CE1 3.86Å; F7-F258 HydrophobicContact CD2-CE1 3.86Å; F7-F258 AromaticContact CE2-CD1 3.88Å; F7-F258 HydrophobicContact CE2-CD1 3.88Å; F7-F258 AromaticContact CE2-CE1 3.85Å; F7-F258 HydrophobicContact CE2-CE1 3.85Å; F250-F258 HydrophobicContact CE1-CE2 4.34Å; F250-F258 HydrophobicContact CE1-CZ 4.27Å; F250-F258 HydrophobicContact CE2-CE1 4.19Å; F250-F258 HydrophobicContact CE2-CZ 4.23Å; F250-F258 HydrophobicContact CZ-CD1 4.41Å; F250-F258 HydrophobicContact CZ-CD2 4.34Å; F250-F258 AromaticContact CZ-CE1 3.78Å; F250-F258 HydrophobicContact CZ-CE1 3.78Å; F250-F258 AromaticContact CZ-CE2 3.68Å; F250-F258 HydrophobicContact CZ-CE2 3.68Å; F250-F258 AromaticContact CZ-CZ 3.4Å; F250-F258 HydrophobicContact CZ-CZ 3.4Å; F250-F258 VanDerWaalsContact CZ-CZ 3.4Å; P254-F258 HydrophobicContact CB-CD2 4.33Å; P254-F258 HydrophobicContact CB-CE2 4.3Å; P254-F258 WeakPolarHBondContact O-CB 3.15Å; P254-F258 WeakPolarHBondContact O-CD2 3.34Å; P254-F258 WeakPolarHBondContact O-CG 3.44Å; P254-F258 PolarHBondContact O-N 3.45Å; R255-F258 PolarHBondContact O-N 2.81Å; F258-G261 PolarHBondContact O-N 2.98Å; F258-F262 WeakPolarHBondContact O-CB 3.16Å; F258-F262 PolarHBondContact O-N 2.92Å
259M91.2Very high89.6Confident14 Ų1451.1 Ų51.17%0.06926%0.262CS..Hα-helixtrans-59.4-48.1175.6-176-1686800110.2E82 V87 V208 S212 R255 I256 G261 F262 V263E82-M259 HydrophobicContact CB-SD 3.83Å; V87-M259 HydrophobicContact CG2-CE 3.74Å; V208-M259 HydrophobicContact CG1-CE 4.03Å; V208-M259 HydrophobicContact CG1-SD 4.37Å; S212-M259 WeakPolarHBondContact OG-CE 3.33Å; R255-M259 VanDerWaalsContact O-CB 3.3Å; R255-M259 WeakPolarHBondContact O-CB 3.43Å; R255-M259 PolarHBondContact O-N 2.71Å; I256-M259 PolarHBondContact O-N 2.9Å; M259-G261 PolarHBondContact O-N 3.23Å; M259-F262 WeakPolarHBondContact O-CB 3.29Å; M259-F262 PolarHBondContact O-N 3.33Å; M259-V263 HydrophobicContact CG-CG1 4.42Å; M259-V263 WeakPolarHBondContact O-CG2 3.36Å; M259-V263 PolarHBondContact O-N 3.08Å
260L92.9Very high90.1Very high25 Ų2551.3 Ų51.313%0.13126%0.263CS..Hα-helixtrans-57.5-49.9178176.959.4000111.3A209 T213 L216 I256 V257 F262 V263 V264A209-L260 HydrophobicContact CB-CD1 4.1Å; A209-L260 WeakPolarHBondContact O-CD1 3.34Å; T213-L260 WeakPolarHBondContact OG1-CD1 3.33Å; L216-L260 HydrophobicContact CD1-CD2 3.74Å; I256-L260 WeakPolarHBondContact O-CB 3.26Å; I256-L260 PolarHBondContact O-N 3.37Å; V257-L260 PolarHBondContact O-N 3.43Å; L260-F262 VanDerWaalsContact C-N 3.3Å; L260-F262 PolarHBondContact O-N 3.16Å; L260-V263 HydrophobicContact CD1-CG2 4.43Å; L260-V263 WeakPolarHBondContact O-CG2 3.1Å; L260-V263 PolarHBondContact O-N 3.3Å; L260-V264 HydrophobicContact CD1-CG2 3.71Å; L260-V264 HydrophobicContact CG-CG2 4.26Å; L260-V264 WeakPolarHBondContact O-CB 3.5Å; L260-V264 WeakPolarHBondContact O-CG2 3.32Å; L260-V264 PolarHBondContact O-N 3.04Å
261G88.9Confident90.6Very high21 Ų2151.6 Ų51.622%0.21627%0.269CS..Hα-helixtrans-56.6-45.1176.400000112.1V257 F258 M259 V265V257-G261 PolarHBondContact O-N 3.43Å; F258-G261 PolarHBondContact O-N 2.98Å; M259-G261 PolarHBondContact O-N 3.23Å; G261-V265 VanDerWaalsContact O-CG2 3.32Å; G261-V265 WeakPolarHBondContact O-CG2 3.08Å; G261-V265 PolarHBondContact O-N 2.77Å; G261-V265 VanDerWaalsContact O-N 3.16Å
262F89.3Confident90.9Very high82 Ų8248.3 Ų48.336%0.3626%0.263SS..Hα-helixtrans-61.8-50.6176.3173.8-100000112.5L75 V79 F258 M259 L260 V264 V265 L266L75-F262 HydrophobicContact CD1-CE1 4.17Å; L75-F262 HydrophobicContact CD1-CZ 3.86Å; L75-F262 HydrophobicContact CD2-CZ 3.96Å; L75-F262 HydrophobicContact CG-CZ 4.2Å; V79-F262 HydrophobicContact CG2-CD1 4.12Å; V79-F262 HydrophobicContact CG2-CE1 3.82Å; F258-F262 WeakPolarHBondContact O-CB 3.16Å; F258-F262 PolarHBondContact O-N 2.92Å; M259-F262 WeakPolarHBondContact O-CB 3.29Å; M259-F262 PolarHBondContact O-N 3.33Å; L260-F262 VanDerWaalsContact C-N 3.3Å; L260-F262 PolarHBondContact O-N 3.16Å; F262-V264 VanDerWaalsContact C-N 3.35Å; F262-V264 PolarHBondContact O-N 3.5Å; F262-V265 PolarHBondContact O-N 3.39Å; F262-L266 HydrophobicContact CE1-CD2 3.97Å; F262-L266 HydrophobicContact CZ-CD2 4.05Å; F262-L266 VanDerWaalsContact O-CB 3.31Å; F262-L266 WeakPolarHBondContact O-CB 3.46Å; F262-L266 PolarHBondContact O-N 3.17Å
263V92.4Very high91.3Very high3 Ų348.9 Ų48.92%0.01826%0.259CS..Hα-helixtrans-70.4-29.1-177.3-62.50000112.8V79 V208 A209 M259 L260 S267V79-V263 HydrophobicContact CG1-CG1 4.02Å; V208-V263 HydrophobicContact CG1-CG1 4.24Å; V208-V263 HydrophobicContact CG1-CG2 4.27Å; A209-V263 HydrophobicContact CB-CG2 3.73Å; M259-V263 HydrophobicContact CG-CG1 4.42Å; M259-V263 WeakPolarHBondContact O-CG2 3.36Å; M259-V263 PolarHBondContact O-N 3.08Å; L260-V263 HydrophobicContact CD1-CG2 4.43Å; L260-V263 WeakPolarHBondContact O-CG2 3.1Å; L260-V263 PolarHBondContact O-N 3.3Å; V263-S267 VanDerWaalsContact O-CB 3.27Å; V263-S267 WeakPolarHBondContact O-CB 3.24Å; V263-S267 PolarHBondContact O-N 3.47Å; V263-S267 PolarHBondContact O-OG 2.94Å
264V92.1Very high91.7Very high50 Ų5048.2 Ų48.230%0.30326%0.256SS..Hα-helixtrans-66.2-51.4173.7167.50000110.3A209 L260 F262 L266 S267 F268A209-V264 HydrophobicContact CB-CG2 3.95Å; L260-V264 HydrophobicContact CD1-CG2 3.71Å; L260-V264 HydrophobicContact CG-CG2 4.26Å; L260-V264 WeakPolarHBondContact O-CB 3.5Å; L260-V264 WeakPolarHBondContact O-CG2 3.32Å; L260-V264 PolarHBondContact O-N 3.04Å; F262-V264 VanDerWaalsContact C-N 3.35Å; F262-V264 PolarHBondContact O-N 3.5Å; V264-L266 VanDerWaalsContact C-N 3.29Å; V264-L266 PolarHBondContact O-N 3.46Å; V264-S267 WeakPolarHBondContact O-CB 3.25Å; V264-S267 PolarHBondContact O-N 3.28Å; V264-S267 VanDerWaalsContact O-N 3.16Å; V264-F268 HydrophobicContact CG1-CD2 3.98Å; V264-F268 HydrophobicContact CG1-CE2 3.81Å; V264-F268 VanDerWaalsContact O-CD2 3.27Å; V264-F268 WeakPolarHBondContact O-CD2 3.41Å; V264-F268 PolarHBondContact O-N 2.94Å; V264-F268 VanDerWaalsContact O-N 3.1Å
265V89.1Confident92.1Very high40 Ų4049.9 Ų49.924%0.24227%0.269CS..Hα-helixtrans-58.2-45.7176.7172.80000110.4L11 G261 F262 S267 F268 L269L11-V265 HydrophobicContact CD1-CG2 3.72Å; G261-V265 VanDerWaalsContact O-CG2 3.32Å; G261-V265 WeakPolarHBondContact O-CG2 3.08Å; G261-V265 PolarHBondContact O-N 2.77Å; G261-V265 VanDerWaalsContact O-N 3.16Å; F262-V265 PolarHBondContact O-N 3.39Å; V265-S267 VanDerWaalsContact C-N 3.33Å; V265-S267 PolarHBondContact O-N 3.37Å; V265-F268 PolarHBondContact O-N 3.28Å; V265-L269 HydrophobicContact CG1-CD1 3.99Å; V265-L269 HydrophobicContact CG1-CG 4.47Å; V265-L269 WeakPolarHBondContact O-CG 3.39Å; V265-L269 PolarHBondContact O-N 3.19Å; V265-L269 VanDerWaalsContact O-N 3.08Å
266L89.6Confident92.4Very high48 Ų4848 Ų4825%0.25126%0.263SS..Hα-helixtrans-61.3-41.6178-173.963.7000111.8A205 F262 V264 F268 L269 L270A205-L266 HydrophobicContact CB-CD2 4.43Å; F262-L266 HydrophobicContact CE1-CD2 3.97Å; F262-L266 HydrophobicContact CZ-CD2 4.05Å; F262-L266 VanDerWaalsContact O-CB 3.31Å; F262-L266 WeakPolarHBondContact O-CB 3.46Å; F262-L266 PolarHBondContact O-N 3.17Å; V264-L266 VanDerWaalsContact C-N 3.29Å; V264-L266 PolarHBondContact O-N 3.46Å; L266-F268 PolarHBondContact O-N 3.02Å; L266-L269 PolarHBondContact O-N 2.92Å; L266-L270 HydrophobicContact CD1-CD1 3.8Å; L266-L270 HydrophobicContact CD1-CD2 4.4Å; L266-L270 HydrophobicContact CD1-CG 3.83Å; L266-L270 HydrophobicContact CD2-CD1 4.21Å; L266-L270 HydrophobicContact CG-CD1 3.64Å; L266-L270 HydrophobicContact CG-CG 4.06Å; L266-L270 VanDerWaalsContact O-CB 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.21Å; L266-L270 VanDerWaalsContact O-CG 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.22Å; L266-L270 PolarHBondContact O-N 2.74Å
267S92.3Very high92.7Very high19 Ų1948.5 Ų48.513%0.13327%0.268CS..Hα-helixtrans-60.6-42.5178-63.10000112.2A205 A206 V263 V264 V265 G271A205-S267 WeakPolarHBondContact CB-OG 3.24Å; A205-S267 PolarHBondContact O-OG 3.47Å; A206-S267 PolarHBondContact N-OG 2.98Å; V263-S267 VanDerWaalsContact O-CB 3.27Å; V263-S267 WeakPolarHBondContact O-CB 3.24Å; V263-S267 PolarHBondContact O-N 3.47Å; V263-S267 PolarHBondContact O-OG 2.94Å; V264-S267 WeakPolarHBondContact O-CB 3.25Å; V264-S267 PolarHBondContact O-N 3.28Å; V264-S267 VanDerWaalsContact O-N 3.16Å; V265-S267 VanDerWaalsContact C-N 3.33Å; V265-S267 PolarHBondContact O-N 3.37Å; S267-G271 WeakPolarHBondContact O-CA 3.38Å; S267-G271 PolarHBondContact O-N 3.31Å
268F90.9Very high92.9Very high161 Ų16151.4 Ų51.471%0.70628%0.282SS*.Hα-helixtrans-66.7-45.2176.4-80.9-72.1000112.4V264 V265 L266 G271 G272V264-F268 HydrophobicContact CG1-CD2 3.98Å; V264-F268 HydrophobicContact CG1-CE2 3.81Å; V264-F268 VanDerWaalsContact O-CD2 3.27Å; V264-F268 WeakPolarHBondContact O-CD2 3.41Å; V264-F268 PolarHBondContact O-N 2.94Å; V264-F268 VanDerWaalsContact O-N 3.1Å; V265-F268 PolarHBondContact O-N 3.28Å; L266-F268 PolarHBondContact O-N 3.02Å; F268-G271 PolarHBondContact O-N 3.1Å; F268-G272 PolarHBondContact O-N 2.84Å
269L91.6Very high93.2Very high98 Ų9852.7 Ų52.751%0.51329%0.285SS..Hα-helixtrans-64-48.1179.5-68.1175.7000111.7L18 V265 L266 G272 Y273L18-L269 HydrophobicContact CD1-CD1 4.32Å; V265-L269 HydrophobicContact CG1-CD1 3.99Å; V265-L269 HydrophobicContact CG1-CG 4.47Å; V265-L269 WeakPolarHBondContact O-CG 3.39Å; V265-L269 PolarHBondContact O-N 3.19Å; V265-L269 VanDerWaalsContact O-N 3.08Å; L266-L269 PolarHBondContact O-N 2.92Å; L269-G272 PolarHBondContact O-N 2.88Å; L269-Y273 PolarHBondContact O-N 3.32Å
270L94.8Very high93.4Very high25 Ų2552.3 Ų52.313%0.13128%0.283CS..Hα-helixtrans-69.4-36.3178.2-66.2179.3000112.1L198 L201 T202 L266 Y273 L274L198-L270 HydrophobicContact CD1-CD2 4.16Å; L201-L270 HydrophobicContact CB-CD1 4.4Å; L201-L270 HydrophobicContact CD2-CD1 3.69Å; L201-L270 HydrophobicContact CD2-CD2 4.17Å; L201-L270 HydrophobicContact CG-CD1 3.62Å; T202-L270 HydrophobicContact CG2-CB 4.39Å; T202-L270 WeakPolarHBondContact OG1-CB 3.27Å; L266-L270 HydrophobicContact CD1-CD1 3.8Å; L266-L270 HydrophobicContact CD1-CD2 4.4Å; L266-L270 HydrophobicContact CD1-CG 3.83Å; L266-L270 HydrophobicContact CD2-CD1 4.21Å; L266-L270 HydrophobicContact CG-CD1 3.64Å; L266-L270 HydrophobicContact CG-CG 4.06Å; L266-L270 VanDerWaalsContact O-CB 3.31Å; L266-L270 WeakPolarHBondContact O-CB 3.21Å; L266-L270 VanDerWaalsContact O-CG 3.27Å; L266-L270 WeakPolarHBondContact O-CG 3.22Å; L266-L270 PolarHBondContact O-N 2.74Å; L270-Y273 PolarHBondContact O-N 3.47Å; L270-L274 VanDerWaalsContact O-CB 3.28Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 PolarHBondContact O-N 3.07Å
271G95.3Very high93.5Very high18 Ų1851.4 Ų51.419%0.18628%0.279CS..Hα-helixtrans-62.2-45.8174.500000112.1S267 F268 Y273 L274 C275S267-G271 WeakPolarHBondContact O-CA 3.38Å; S267-G271 PolarHBondContact O-N 3.31Å; F268-G271 PolarHBondContact O-N 3.1Å; G271-Y273 VanDerWaalsContact C-N 3.34Å; G271-Y273 PolarHBondContact O-N 3.03Å; G271-L274 PolarHBondContact O-N 3.06Å; G271-C275 WeakPolarHBondContact O-CB 3.4Å; G271-C275 PolarHBondContact O-N 3.08Å; G271-C275 PolarHBondContact O-SG 2.79Å
272G93.7Very high93.8Very high46 Ų4652 Ų5247%0.47428%0.282SS..Hα-helixtrans-59.7-43.7172.900000112.4F268 L269 C275 F276F268-G272 PolarHBondContact O-N 2.84Å; L269-G272 PolarHBondContact O-N 2.88Å; G272-C275 PolarHBondContact O-N 3.16Å; G272-F276 PolarHBondContact O-N 3.23Å
273Y95.8Very high94Very high74 Ų7449.7 Ų49.729%0.2928%0.275SS..Hα-helixtrans-66.1-39.7176.9-176.9-137.2000112.7H177 F194 L198 L269 L270 G271 F276 A277H177-Y273 PolarHBondContact CE1-OH 2.88Å; F194-Y273 HydrophobicContact CE1-CE1 4.13Å; F194-Y273 VanDerWaalsContact CE1-OH 3.31Å; F194-Y273 WeakPolarHBondContact CE1-OH 3.34Å; F194-Y273 AromaticContact CZ-CE1 3.76Å; F194-Y273 HydrophobicContact CZ-CE1 3.76Å; F194-Y273 AromaticContact CZ-CZ 3.88Å; F194-Y273 WeakPolarHBondContact CZ-OH 3.31Å; L198-Y273 HydrophobicContact CD1-CD1 3.59Å; L198-Y273 HydrophobicContact CD1-CE1 4.11Å; L198-Y273 HydrophobicContact CD2-CD1 3.52Å; L198-Y273 HydrophobicContact CD2-CE1 3.68Å; L198-Y273 HydrophobicContact CD2-CG 4.13Å; L198-Y273 HydrophobicContact CG-CD1 4.22Å; L269-Y273 PolarHBondContact O-N 3.32Å; L270-Y273 PolarHBondContact O-N 3.47Å; G271-Y273 VanDerWaalsContact C-N 3.34Å; G271-Y273 PolarHBondContact O-N 3.03Å; Y273-F276 HydrophobicContact CD2-CD1 4.39Å; Y273-F276 HydrophobicContact CE2-CD1 4.45Å; Y273-F276 PolarHBondContact O-N 3.41Å; Y273-A277 WeakPolarHBondContact O-CB 3.43Å; Y273-A277 PolarHBondContact O-N 3.04Å
274L97.3Very high94.1Very high16 Ų1649.6 Ų49.68%0.08427%0.274CS..Hα-helixtrans-62.8-46.8175177.663.5000111.1L198 L199 T202 L270 G271 F276 A277 L278L198-L274 HydrophobicContact CD2-CB 4.18Å; L198-L274 HydrophobicContact CD2-CD1 4.17Å; L198-L274 HydrophobicContact CG-CB 4.15Å; L198-L274 HydrophobicContact CG-CD1 4.07Å; L199-L274 HydrophobicContact CB-CD1 4.26Å; L199-L274 HydrophobicContact CD1-CD2 3.77Å; T202-L274 HydrophobicContact CG2-CD2 4.23Å; L270-L274 VanDerWaalsContact O-CB 3.28Å; L270-L274 WeakPolarHBondContact O-CB 3.47Å; L270-L274 PolarHBondContact O-N 3.07Å; G271-L274 PolarHBondContact O-N 3.06Å; L274-F276 VanDerWaalsContact C-N 3.29Å; L274-F276 PolarHBondContact O-N 3.37Å; L274-A277 PolarHBondContact O-N 2.97Å; L274-L278 HydrophobicContact CD1-CD1 4.1Å; L274-L278 HydrophobicContact CD1-CG 4.04Å; L274-L278 HydrophobicContact CG-CD1 3.94Å; L274-L278 HydrophobicContact CG-CG 4.3Å; L274-L278 WeakPolarHBondContact O-CB 3.46Å; L274-L278 VanDerWaalsContact O-CG 3.26Å; L274-L278 WeakPolarHBondContact O-CG 3.44Å; L274-L278 PolarHBondContact O-N 3.18Å
275C97.1Very high94.2Very high85 Ų8549 Ų4957%0.57427%0.268SS*.Hα-helixtrans-57.6-43.5175.8-730000111.6G271 G272 L278 Y279G271-C275 WeakPolarHBondContact O-CB 3.4Å; G271-C275 PolarHBondContact O-N 3.08Å; G271-C275 PolarHBondContact O-SG 2.79Å; G272-C275 PolarHBondContact O-N 3.16Å; C275-L278 PolarHBondContact O-N 3.37Å; C275-Y279 WeakPolarHBondContact O-CB 3.44Å; C275-Y279 PolarHBondContact O-N 3.24Å
276F95.6Very high94.5Very high62 Ų6247.1 Ų47.127%0.27226%0.256SS..Hα-helixtrans-63.2-46.2175.1177.6-111.7000112.2G272 Y273 L274 L278 Y279 L280 T287 W290G272-F276 PolarHBondContact O-N 3.23Å; Y273-F276 HydrophobicContact CD2-CD1 4.39Å; Y273-F276 HydrophobicContact CE2-CD1 4.45Å; Y273-F276 PolarHBondContact O-N 3.41Å; L274-F276 VanDerWaalsContact C-N 3.29Å; L274-F276 PolarHBondContact O-N 3.37Å; F276-L278 VanDerWaalsContact C-N 3.33Å; F276-L278 PolarHBondContact O-N 3.43Å; F276-Y279 WeakPolarHBondContact O-CB 3.28Å; F276-Y279 PolarHBondContact O-N 3.44Å; F276-L280 HydrophobicContact CD1-CD1 4.13Å; F276-L280 HydrophobicContact CE1-CD1 3.51Å; F276-L280 HydrophobicContact CE1-CG 4.24Å; F276-L280 HydrophobicContact CE2-CD1 4.24Å; F276-L280 HydrophobicContact CE2-CD2 4.24Å; F276-L280 HydrophobicContact CE2-CG 4.16Å; F276-L280 HydrophobicContact CZ-CD1 3.58Å; F276-L280 HydrophobicContact CZ-CD2 4.19Å; F276-L280 HydrophobicContact CZ-CG 4Å; F276-L280 WeakPolarHBondContact O-CG 3.46Å; F276-L280 PolarHBondContact O-N 2.62Å; F276-T287 HydrophobicContact CE1-CG2 4.4Å; F276-W290 HydrophobicContact CE2-CD2 4.06Å; F276-W290 HydrophobicContact CE2-CE3 4.43Å; F276-W290 HydrophobicContact CE2-CG 4.42Å; F276-W290 HydrophobicContact CE2-CZ2 4.39Å; F276-W290 AromaticContact CZ-CD2 3.95Å; F276-W290 HydrophobicContact CZ-CD2 3.95Å; F276-W290 AromaticContact CZ-CE3 3.99Å; F276-W290 HydrophobicContact CZ-CE3 3.99Å; F276-W290 HydrophobicContact CZ-CG 4.3Å; F276-W290 HydrophobicContact CZ-CZ3 4.47Å
277A95.9Very high94.7Very high12 Ų1246.5 Ų46.510%0.09926%0.255CS..Hα-helixtrans-62.9-38.8177.800000112.3L195 L198 Y273 L274 L280 A281L195-A277 HydrophobicContact CD2-CB 3.82Å; L198-A277 HydrophobicContact CD2-CB 4.06Å; Y273-A277 WeakPolarHBondContact O-CB 3.43Å; Y273-A277 PolarHBondContact O-N 3.04Å; L274-A277 PolarHBondContact O-N 2.97Å; A277-L280 PolarHBondContact O-N 3.33Å; A277-A281 WeakPolarHBondContact O-CB 3.41Å; A277-A281 PolarHBondContact O-N 3.07Å
278L96.1Very high94.8Very high87 Ų8746 Ų4646%0.45525%0.251SS..Hα-helixtrans-67.6-37.9174.8-70.6174.4000112L274 C275 F276 A281 A282L274-L278 HydrophobicContact CD1-CD1 4.1Å; L274-L278 HydrophobicContact CD1-CG 4.04Å; L274-L278 HydrophobicContact CG-CD1 3.94Å; L274-L278 HydrophobicContact CG-CG 4.3Å; L274-L278 WeakPolarHBondContact O-CB 3.46Å; L274-L278 VanDerWaalsContact O-CG 3.26Å; L274-L278 WeakPolarHBondContact O-CG 3.44Å; L274-L278 PolarHBondContact O-N 3.18Å; C275-L278 PolarHBondContact O-N 3.37Å; F276-L278 VanDerWaalsContact C-N 3.33Å; F276-L278 PolarHBondContact O-N 3.43Å; L278-A281 WeakPolarHBondContact O-CB 3.46Å; L278-A281 PolarHBondContact O-N 2.81Å; L278-A282 VanDerWaalsContact O-CB 3.26Å; L278-A282 WeakPolarHBondContact O-CB 3.32Å; L278-A282 PolarHBondContact O-N 3.14Å
279Y95.6Very high94.9Very high121 Ų12138.8 Ų38.848%0.47522%0.219SC..Hα-helixtrans-61.7-46172.7165.7-98.5000111.9C275 F276 A281 A282 T283C275-Y279 WeakPolarHBondContact O-CB 3.44Å; C275-Y279 PolarHBondContact O-N 3.24Å; F276-Y279 WeakPolarHBondContact O-CB 3.28Å; F276-Y279 PolarHBondContact O-N 3.44Å; Y279-A281 VanDerWaalsContact C-N 3.32Å; Y279-A281 PolarHBondContact O-N 3.45Å; Y279-A282 PolarHBondContact O-N 2.9Å; Y279-T283 HydrophobicContact CD2-CG2 4.17Å; Y279-T283 HydrophobicContact CE2-CG2 3.71Å; Y279-T283 WeakPolarHBondContact O-CG2 3.47Å; Y279-T283 PolarHBondContact O-N 2.87Å; Y279-T283 PolarHBondContact O-OG1 3.19Å
280L95.6Very high94.8Very high6 Ų637.5 Ų37.53%0.03121%0.208CC..Hα-helixtrans-62.7-41.8175.7-70.2-176000111.3F276 A277 A282 T283 N284 Q285 W290F276-L280 HydrophobicContact CD1-CD1 4.13Å; F276-L280 HydrophobicContact CE1-CD1 3.51Å; F276-L280 HydrophobicContact CE1-CG 4.24Å; F276-L280 HydrophobicContact CE2-CD1 4.24Å; F276-L280 HydrophobicContact CE2-CD2 4.24Å; F276-L280 HydrophobicContact CE2-CG 4.16Å; F276-L280 HydrophobicContact CZ-CD1 3.58Å; F276-L280 HydrophobicContact CZ-CD2 4.19Å; F276-L280 HydrophobicContact CZ-CG 4Å; F276-L280 WeakPolarHBondContact O-CG 3.46Å; F276-L280 PolarHBondContact O-N 2.62Å; A277-L280 PolarHBondContact O-N 3.33Å; L280-A282 PolarHBondContact O-N 3.27Å; L280-T283 CarbonylContact O-C 3.49Å; L280-T283 PolarHBondContact O-N 3.46Å; L280-T283 PolarHBondContact O-OG1 3.03Å; L280-N284 PolarHBondContact O-N 2.84Å; L280-Q285 WeakPolarHBondContact CB-O 3.26Å; L280-Q285 HydrophobicContact CD2-CB 3.91Å; L280-Q285 PolarHBondContact O-N 2.98Å; L280-W290 HydrophobicContact CD2-CB 3.82Å; L280-W290 HydrophobicContact CD2-CG 3.98Å
281A95.4Very high94.4Very high5 Ų542.5 Ų42.54%0.04123%0.226CC..Hα-helixtrans-60.2-46.2174.500000112L195 A277 L278 Y279 T283 N284 L327 I330L195-A281 HydrophobicContact CD1-CB 4.44Å; A277-A281 WeakPolarHBondContact O-CB 3.41Å; A277-A281 PolarHBondContact O-N 3.07Å; L278-A281 WeakPolarHBondContact O-CB 3.46Å; L278-A281 PolarHBondContact O-N 2.81Å; Y279-A281 VanDerWaalsContact C-N 3.32Å; Y279-A281 PolarHBondContact O-N 3.45Å; A281-T283 VanDerWaalsContact C-N 3.3Å; A281-T283 PolarHBondContact O-N 3.15Å; A281-N284 PolarHBondContact O-N 2.84Å; A281-L327 HydrophobicContact CB-CD2 4.24Å; A281-I330 VanDerWaalsContact CA-CD1 3.43Å; A281-I330 HydrophobicContact CB-CD1 3.31Å
282A94.6Very high93.7Very high35 Ų3546.6 Ų46.629%0.28924%0.236SC..Hα-helixtrans-65.9-30.6179.600000113.1L278 Y279 L280 L323 N326L278-A282 VanDerWaalsContact O-CB 3.26Å; L278-A282 WeakPolarHBondContact O-CB 3.32Å; L278-A282 PolarHBondContact O-N 3.14Å; Y279-A282 PolarHBondContact O-N 2.9Å; L280-A282 PolarHBondContact O-N 3.27Å; A282-L323 HydrophobicContact CB-CD1 3.57Å; A282-N326 PolarHBondContact O-ND2 2.87Å
283T93.6Very high92.7Very high33 Ų3344.9 Ų44.920%0.20222%0.218CC..THydrogen-bonded Turntrans-95.93.4177.957.30000113.5Y279 L280 A281 Q285 N317Y279-T283 HydrophobicContact CD2-CG2 4.17Å; Y279-T283 HydrophobicContact CE2-CG2 3.71Å; Y279-T283 WeakPolarHBondContact O-CG2 3.47Å; Y279-T283 PolarHBondContact O-N 2.87Å; Y279-T283 PolarHBondContact O-OG1 3.19Å; L280-T283 CarbonylContact O-C 3.49Å; L280-T283 PolarHBondContact O-N 3.46Å; L280-T283 PolarHBondContact O-OG1 3.03Å; A281-T283 VanDerWaalsContact C-N 3.3Å; A281-T283 PolarHBondContact O-N 3.15Å; T283-Q285 VanDerWaalsContact C-N 3.25Å; T283-Q285 PolarHBondContact O-N 3.24Å; T283-N317 PolarHBondContact O-ND2 3.43Å
284N94.8Very high91.1Very high0 Ų044.7 Ų44.70%022%0.222CC..THydrogen-bonded Turntrans4944.2-173.2-159.2-4.9000113.6R161 R174 L280 A281 H319 N326 E329R161-N284 PolarHBondContact NH1-OD1 3.12Å; R161-N284 VanDerWaalsContact NH1-OD1 3.15Å; R161-N284 PolarHBondContact NH2-O 2.81Å; R161-N284 PolarHBondContact NH2-OD1 2.92Å; R174-N284 PolarHBondContact NH2-OD1 3.33Å; L280-N284 PolarHBondContact O-N 2.84Å; A281-N284 PolarHBondContact O-N 2.84Å; N284-H319 PolarHBondContact ND2-O 3.39Å; N284-N326 HydrophobicContact CB-CB 3.9Å; N284-E329 PolarHBondContact ND2-OE2 3.32Å
285Q93.4Very high89Confident38 Ų3850.8 Ų50.818%0.17824%0.244CC..  trans-109.3147.6174.1-66.8-173.9-22.700110L280 T283 E289 N317L280-Q285 WeakPolarHBondContact CB-O 3.26Å; L280-Q285 HydrophobicContact CD2-CB 3.91Å; L280-Q285 PolarHBondContact O-N 2.98Å; T283-Q285 VanDerWaalsContact C-N 3.25Å; T283-Q285 PolarHBondContact O-N 3.24Å; Q285-E289 WeakPolarHBondContact CA-OE2 3.42Å; Q285-N317 WeakPolarHBondContact CG-ND2 3.46Å; Q285-N317 PolarHBondContact NE2-ND2 3.33Å
286T95.6Very high86.9Confident0 Ų049 Ų490%024%0.235CC..  trans-90.3157.1164.865.20000111R174 F175 D176 N288 E289 W290R174-T286 HydrophobicContact CG-CG2 3.89Å; F175-T286 PolarHBondContact O-OG1 3.48Å; D176-T286 WeakPolarHBondContact OD1-CA 3.37Å; D176-T286 VanDerWaalsContact OD1-CB 3.31Å; D176-T286 WeakPolarHBondContact OD1-CB 3.28Å; T286-N288 PolarHBondContact O-N 2.82Å; T286-E289 PolarHBondContact N-OE2 3.33Å; T286-E289 WeakPolarHBondContact O-CB 3.49Å; T286-E289 PolarHBondContact O-N 2.74Å; T286-E289 WeakPolarHBondContact OG1-CB 3.24Å; T286-E289 VanDerWaalsContact OG1-CG 3.22Å; T286-E289 WeakPolarHBondContact OG1-CG 3.36Å; T286-E289 PolarHBondContact OG1-N 3.49Å; T286-E289 VanDerWaalsContact OG1-N 3.07Å; T286-E289 PolarHBondContact OG1-OE1 3.35Å; T286-E289 VanDerWaalsContact OG1-OE1 3.14Å; T286-E289 PolarHBondContact OG1-OE2 2.86Å; T286-W290 PolarHBondContact O-N 3.5Å
287T94.4Very high84.5Confident35 Ų3553.4 Ų53.422%0.21525%0.25CC..Hα-helixtrans-55.3-38.5173-55.30000111D176 F276 Y291D176-T287 PolarHBondContact OD1-N 2.59Å; D176-T287 PolarHBondContact OD1-OG1 2.96Å; D176-T287 VanDerWaalsContact OD2-CB 3.3Å; D176-T287 WeakPolarHBondContact OD2-CB 3.35Å; D176-T287 PolarHBondContact OD2-OG1 3.29Å; F276-T287 HydrophobicContact CE1-CG2 4.4Å; T287-Y291 WeakPolarHBondContact O-CB 3.42Å; T287-Y291 PolarHBondContact O-N 2.94Å
288N93.8Very high82.2Confident9 Ų957 Ų575%0.04827%0.273CS..Hα-helixtrans-67-38.1175.8171.579.8000113.1K163 F175 D176 T286 R292K163-N288 WeakPolarHBondContact CD-OD1 3.49Å; K163-N288 PolarHBondContact NZ-OD1 3.14Å; F175-N288 HydrophobicContact CD1-CB 3.85Å; F175-N288 HydrophobicContact CE1-CB 4.19Å; D176-N288 VanDerWaalsContact O-CB 3.31Å; D176-N288 WeakPolarHBondContact O-CB 3.29Å; D176-N288 PolarHBondContact O-N 3.3Å; T286-N288 PolarHBondContact O-N 2.82Å; N288-R292 WeakPolarHBondContact O-CB 3.49Å; N288-R292 VanDerWaalsContact O-CG 3.25Å; N288-R292 WeakPolarHBondContact O-CG 3.2Å; N288-R292 PolarHBondContact O-N 2.94Å; N288-R292 PolarHBondContact OD1-NE 2.64Å
289E92.4Very high79.8Confident9 Ų958.1 Ų58.14%0.04228%0.279CS..Hα-helixtrans-65.7-46.9173.4-79.7150.9-150.600111.6M144 F145 R161 Q285 T286 Y291 R292 G293M144-E289 HydrophobicContact SD-CB 4.04Å; M144-E289 HydrophobicContact SD-CG 3.77Å; F145-E289 HydrophobicContact CE2-CG 4.14Å; F145-E289 HydrophobicContact CZ-CG 3.61Å; R161-E289 WeakPolarHBondContact CB-OE1 3.39Å; R161-E289 WeakPolarHBondContact CG-OE1 3.38Å; R161-E289 IonicContact CZ-OE1 3.53Å; R161-E289 IonicContact CZ-OE2 3.57Å; R161-E289 IonicContact NE-OE1 2.75Å; R161-E289 PolarHBondContact NE-OE1 3.39Å; R161-E289 IonicContact NE-OE2 3.53Å; R161-E289 IonicContact NH2-OE1 3.41Å; R161-E289 PolarHBondContact NH2-OE1 2.97Å; R161-E289 IonicContact NH2-OE2 2.79Å; R161-E289 PolarHBondContact NH2-OE2 2.93Å; Q285-E289 WeakPolarHBondContact CA-OE2 3.42Å; T286-E289 PolarHBondContact N-OE2 3.33Å; T286-E289 WeakPolarHBondContact O-CB 3.49Å; T286-E289 PolarHBondContact O-N 2.74Å; T286-E289 WeakPolarHBondContact OG1-CB 3.24Å; T286-E289 VanDerWaalsContact OG1-CG 3.22Å; T286-E289 WeakPolarHBondContact OG1-CG 3.36Å; T286-E289 PolarHBondContact OG1-N 3.49Å; T286-E289 VanDerWaalsContact OG1-N 3.07Å; T286-E289 PolarHBondContact OG1-OE1 3.35Å; T286-E289 VanDerWaalsContact OG1-OE1 3.14Å; T286-E289 PolarHBondContact OG1-OE2 2.86Å; E289-Y291 VanDerWaalsContact C-N 3.33Å; E289-Y291 PolarHBondContact O-N 3.03Å; E289-R292 PolarHBondContact O-N 2.85Å; E289-G293 PolarHBondContact O-N 3Å
290W90.1Very high77.4Confident72 Ų7257.4 Ų57.427%0.27328%0.276SS..Hα-helixtrans-56.8-47.9178.1-175.885.6000111.2F276 L280 T286 R292 G293 D294F276-W290 HydrophobicContact CE2-CD2 4.06Å; F276-W290 HydrophobicContact CE2-CE3 4.43Å; F276-W290 HydrophobicContact CE2-CG 4.42Å; F276-W290 HydrophobicContact CE2-CZ2 4.39Å; F276-W290 AromaticContact CZ-CD2 3.95Å; F276-W290 HydrophobicContact CZ-CD2 3.95Å; F276-W290 AromaticContact CZ-CE3 3.99Å; F276-W290 HydrophobicContact CZ-CE3 3.99Å; F276-W290 HydrophobicContact CZ-CG 4.3Å; F276-W290 HydrophobicContact CZ-CZ3 4.47Å; L280-W290 HydrophobicContact CD2-CB 3.82Å; L280-W290 HydrophobicContact CD2-CG 3.98Å; T286-W290 PolarHBondContact O-N 3.5Å; W290-R292 PolarHBondContact O-N 3.35Å; W290-G293 PolarHBondContact O-N 3.45Å; W290-D294 PolarHBondContact O-N 2.91Å
291Y85.6Confident74.8Confident130 Ų13060.9 Ų60.951%0.5130%0.3SS..Hα-helixtrans-64.2-40.8177.2-172.7-95.7000113.1T287 E289 W295T287-Y291 WeakPolarHBondContact O-CB 3.42Å; T287-Y291 PolarHBondContact O-N 2.94Å; E289-Y291 VanDerWaalsContact C-N 3.33Å; E289-Y291 PolarHBondContact O-N 3.03Å; Y291-W295 AromaticContact CD1-CD1 3.89Å; Y291-W295 AromaticContact CE1-CD1 3.5Å; Y291-W295 HydrophobicContact CE1-CG 4.5Å; Y291-W295 AromaticContact CE1-NE1 3.19Å; Y291-W295 AromaticContact CE2-NE1 3.8Å; Y291-W295 AromaticContact CZ-CD1 3.7Å; Y291-W295 AromaticContact CZ-NE1 3.05Å; Y291-W295 VanDerWaalsContact O-CD1 3.3Å; Y291-W295 PolarHBondContact O-N 3.47Å; Y291-W295 PolarHBondContact OH-NE1 3.28Å
292R81.4Confident72.3Confident104 Ų10467.1 Ų67.139%0.39234%0.34SS..Hα-helixtrans-66.8-37.8176.6-78.6174.2171.4-101.8-11.6112.1M144 N288 E289 W290 W295 A296M144-R292 HydrophobicContact CE-CB 4.07Å; M144-R292 HydrophobicContact CG-CB 4.48Å; M144-R292 HydrophobicContact SD-CB 4.13Å; N288-R292 WeakPolarHBondContact O-CB 3.49Å; N288-R292 VanDerWaalsContact O-CG 3.25Å; N288-R292 WeakPolarHBondContact O-CG 3.2Å; N288-R292 PolarHBondContact O-N 2.94Å; N288-R292 PolarHBondContact OD1-NE 2.64Å; E289-R292 PolarHBondContact O-N 2.85Å; W290-R292 PolarHBondContact O-N 3.35Å; R292-W295 PolarHBondContact O-N 3.16Å; R292-A296 PolarHBondContact O-N 3.47Å
293G73.4Confident69.9Low10 Ų1073.3 Ų73.310%0.10337%0.367CS..Hα-helixtrans-60.7-51.8175.400000111.1E289 W290 W295 A296 W297E289-G293 PolarHBondContact O-N 3Å; W290-G293 PolarHBondContact O-N 3.45Å; G293-W295 VanDerWaalsContact C-N 3.3Å; G293-W295 PolarHBondContact O-N 3.18Å; G293-A296 WeakPolarHBondContact O-CA 3.32Å; G293-A296 WeakPolarHBondContact O-CB 3.43Å; G293-A296 PolarHBondContact O-N 2.86Å; G293-W297 PolarHBondContact O-N 3.48Å; G293-W297 VanDerWaalsContact O-N 3.11Å
294D60.3Low67.5Low70 Ų7076.7 Ų76.737%0.37439%0.388SS..Hα-helixtrans-57-40.6177.8-107.418.8000112.4W290 A296 W297 C298W290-D294 PolarHBondContact O-N 2.91Å; D294-A296 VanDerWaalsContact C-N 3.34Å; D294-A296 PolarHBondContact O-N 2.8Å; D294-W297 CarbonylContact O-C 3.57Å; D294-W297 WeakPolarHBondContact O-CA 3.49Å; D294-W297 WeakPolarHBondContact O-CB 3.19Å; D294-W297 PolarHBondContact O-N 3.02Å; D294-C298 PolarHBondContact O-N 2.79Å
295W55.1Low64.7Low143 Ų14381.5 Ų81.554%0.54243%0.427SS..Hα-helixtrans-62-38.8174.2-90.572.3000113Y291 R292 G293 W297 C298 L299Y291-W295 AromaticContact CD1-CD1 3.89Å; Y291-W295 AromaticContact CE1-CD1 3.5Å; Y291-W295 HydrophobicContact CE1-CG 4.5Å; Y291-W295 AromaticContact CE1-NE1 3.19Å; Y291-W295 AromaticContact CE2-NE1 3.8Å; Y291-W295 AromaticContact CZ-CD1 3.7Å; Y291-W295 AromaticContact CZ-NE1 3.05Å; Y291-W295 VanDerWaalsContact O-CD1 3.3Å; Y291-W295 PolarHBondContact O-N 3.47Å; Y291-W295 PolarHBondContact OH-NE1 3.28Å; R292-W295 PolarHBondContact O-N 3.16Å; G293-W295 VanDerWaalsContact C-N 3.3Å; G293-W295 PolarHBondContact O-N 3.18Å; W295-W297 PolarHBondContact O-N 2.84Å; W295-C298 PolarHBondContact O-N 3.2Å; W295-L299 HydrophobicContact CE3-CD1 3.96Å; W295-L299 VanDerWaalsContact O-CD1 3.32Å; W295-L299 WeakPolarHBondContact O-CD1 3.41Å; W295-L299 PolarHBondContact O-N 3.33Å
296A51.8Low62.3Low47 Ų4788.7 Ų88.739%0.38845%0.453SS..Hα-helixtrans-69.1-21174.700000112.9R292 G293 D294 R300R292-A296 PolarHBondContact O-N 3.47Å; G293-A296 WeakPolarHBondContact O-CA 3.32Å; G293-A296 WeakPolarHBondContact O-CB 3.43Å; G293-A296 PolarHBondContact O-N 2.86Å; D294-A296 VanDerWaalsContact C-N 3.34Å; D294-A296 PolarHBondContact O-N 2.8Å; A296-R300 PolarHBondContact O-NE 3.31Å; A296-R300 VanDerWaalsContact O-NE 3.16Å; A296-R300 PolarHBondContact O-NH2 3.2Å
297W46Very low59.5Low156 Ų15693.6 Ų93.659%0.59149%0.485SS*.Hα-helixtrans-79.6-39.7167.8-72.4100.1000112.1G293 D294 W295 R300G293-W297 PolarHBondContact O-N 3.48Å; G293-W297 VanDerWaalsContact O-N 3.11Å; D294-W297 CarbonylContact O-C 3.57Å; D294-W297 WeakPolarHBondContact O-CA 3.49Å; D294-W297 WeakPolarHBondContact O-CB 3.19Å; D294-W297 PolarHBondContact O-N 3.02Å; W295-W297 PolarHBondContact O-N 2.84Å; W297-R300 WeakPolarHBondContact O-CB 3.38Å; W297-R300 PolarHBondContact O-N 3.5Å
298C46.4Very low57Low87 Ų8798.7 Ų98.759%0.58852%0.518SS*.Hα-helixtrans-69.2-34.1176-72.60000113.8D294 W295 R300 C301D294-C298 PolarHBondContact O-N 2.79Å; W295-C298 PolarHBondContact O-N 3.2Å; C298-R300 PolarHBondContact O-N 2.75Å; C298-R300 VanDerWaalsContact O-N 3.16Å; C298-C301 WeakPolarHBondContact O-CB 3.46Å; C298-C301 PolarHBondContact O-N 3.41Å
299L46.2Very low54.4Low111 Ų111103.7 Ų103.758%0.58155%0.554SS**THydrogen-bonded Turntrans-68.7-4.3172.9-94.2112.7000113.8W295 C301W295-L299 HydrophobicContact CE3-CD1 3.96Å; W295-L299 VanDerWaalsContact O-CD1 3.32Å; W295-L299 WeakPolarHBondContact O-CD1 3.41Å; W295-L299 PolarHBondContact O-N 3.33Å; L299-C301 VanDerWaalsContact C-N 3.3Å
300R46.5Very low52.1Low105 Ų105106.8 Ų106.840%0.39658%0.581SS.*THydrogen-bonded Turntrans-84.43.8166.7-91.4173.5-90.3-135.8-0.3113.4A296 W297 C298A296-R300 PolarHBondContact O-NE 3.31Å; A296-R300 VanDerWaalsContact O-NE 3.16Å; A296-R300 PolarHBondContact O-NH2 3.2Å; W297-R300 WeakPolarHBondContact O-CB 3.38Å; W297-R300 PolarHBondContact O-N 3.5Å; C298-R300 PolarHBondContact O-N 2.75Å; C298-R300 VanDerWaalsContact O-N 3.16Å
301C39.4Very low49.9Very low80 Ų80111.7 Ų111.754%0.54161%0.607SS.*SBendtrans-62.8132.5164.8-83.80000109.8C298 L299 L303C298-C301 WeakPolarHBondContact O-CB 3.46Å; C298-C301 PolarHBondContact O-N 3.41Å; L299-C301 VanDerWaalsContact C-N 3.3Å; C301-L303 PolarHBondContact O-N 2.99Å
302P43.3Very low48.1Very low135 Ų135109.9 Ų109.988%0.87761%0.611SS**THydrogen-bonded Turntrans-67.811.2-168.925.8-33.8000115.7
303L43.8Very low46.9Very low165 Ų165111.3 Ų111.386%0.86462%0.622SS**THydrogen-bonded Turntrans-89.4-6.5-177.9-78.3160.1000114.1C301C301-L303 PolarHBondContact O-N 2.99Å
304V43Very low46.2Very low105 Ų105115.9 Ų115.964%0.63665%0.648SS**SBendtrans-122.8101.5175.9-175.30000109.3R306V304-R306 PolarHBondContact O-N 3.12Å
305A36.6Very low46.6Very low101 Ų101114.6 Ų114.684%0.83564%0.64SS**PPolyproline II helixtrans-59.4123.817900000111.4
306R42.6Very low47.5Very low188 Ų188117.7 Ų117.771%0.70965%0.651SS**PPolyproline II helixtrans-85.3148.1164.1-94.5-175.3176.1-177.5-1.8110V304V304-R306 PolarHBondContact O-N 3.12Å
307P38.1Very low49.1Very low104 Ų104117 Ų11768%0.67564%0.641SS**PPolyproline II helixtrans-65.8155.4167.527.1-31.6000111.7S309P307-S309 VanDerWaalsContact C-N 3.34Å; P307-S309 PolarHBondContact O-N 3.2Å; P307-S309 VanDerWaalsContact O-N 3.09Å
308P40.6Very low51.1Low141 Ų141112.3 Ų112.392%0.91663%0.627SS**THydrogen-bonded Turntrans-82.716.5-155-1129000117
309S38.8Very low53.1Low115 Ų115108.7 Ų108.780%0.80460%0.602SS**THydrogen-bonded Turntrans-129.618.5-164.169.90000116.6P307P307-S309 VanDerWaalsContact C-N 3.34Å; P307-S309 PolarHBondContact O-N 3.2Å; P307-S309 VanDerWaalsContact O-N 3.09Å
310A45.2Very low55.2Low74 Ų74106 Ų10661%0.61259%0.592SS**  trans-125.2113.7172.900000109.8
311E43.9Very low57.2Low175 Ų175106.8 Ų106.882%0.81860%0.6SS**  trans-46.9139.1164.6-75.7-177.2156.100109.3Q313E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 3.38Å
312P47.8Very low59.7Low91 Ų91104.8 Ų104.859%0.59159%0.593SS**  trans-66.492177.725.1-30.4000109.3V314P312-V314 PolarHBondContact O-N 3.15Å
313Q55.3Low62Low134 Ų134103.6 Ų103.663%0.62658%0.578SS**  trans-58.9110.3171-76.1-176.6-15.900108.6V143 E311 H315V143-Q313 HydrophobicContact CG2-CB 4.09Å; E311-Q313 VanDerWaalsContact C-N 3.3Å; E311-Q313 PolarHBondContact O-N 3.38Å; Q313-H315 PolarHBondContact O-N 2.76Å
314V60Low64.3Low106 Ų106105.3 Ų105.364%0.64257%0.574SS**  trans-74.6113.2176.6179.20000107.2P312 R316P312-V314 PolarHBondContact O-N 3.15Å; V314-R316 PolarHBondContact O-N 3.16Å
315H68.2Low66.7Low44 Ų44102.7 Ų102.720%0.20456%0.56CS.*  trans-59.2112.6171.9170.6-84.2000109.2D141 V143 M144 Q313D141-H315 IonicContact OD2-CD2 3.67Å; D141-H315 IonicContact OD2-NE2 3.78Å; V143-H315 HydrophobicContact CG1-CB 4.28Å; M144-H315 VanDerWaalsContact CE-NE2 3.33Å; M144-H315 WeakPolarHBondContact CE-NE2 3.49Å; Q313-H315 PolarHBondContact O-N 2.76Å
316R75.1Confident69.5Low207 Ų20797.9 Ų97.978%0.78152%0.52SS*.  trans-107.4132171.3-172.3175.6179179.8-1107.4V314 I318V314-R316 PolarHBondContact O-N 3.16Å; R316-I318 PolarHBondContact O-N 3.26Å
317N83.9Confident71.9Confident32 Ų3291.4 Ų91.417%0.17150%0.499CS..  trans-69.793.3177.1-177.15.9000110.2T283 Q285 H319 S320T283-N317 PolarHBondContact O-ND2 3.43Å; Q285-N317 WeakPolarHBondContact CG-ND2 3.46Å; Q285-N317 PolarHBondContact NE2-ND2 3.33Å; N317-H319 PolarHBondContact O-N 3.29Å; N317-H319 PolarHBondContact OD1-N 2.91Å; N317-H319 VanDerWaalsContact OD1-N 3.15Å; N317-S320 PolarHBondContact O-N 2.75Å
318I87.4Confident74.5Confident59 Ų5991.2 Ų91.230%0.30349%0.489SS..THydrogen-bonded Turntrans-69.8-14.9-179.462.3168.1000113.1E139 D141 R316 H321E139-I318 HydrophobicContact CB-CD1 4.06Å; D141-I318 HydrophobicContact CB-CD1 3.76Å; D141-I318 HydrophobicContact CB-CG1 4.28Å; R316-I318 PolarHBondContact O-N 3.26Å; I318-H321 PolarHBondContact O-CE1 2.91Å; I318-H321 PolarHBondContact O-NE2 3.04Å
319H88.6Confident77Confident11 Ų1185.9 Ų85.95%0.05145%0.452CS..THydrogen-bonded Turntrans-88.3-7.1-178.8-55.7-54.1000113.2E139 N284 N317 H321E139-H319 PolarHBondContact O-CE1 3.38Å; N284-H319 PolarHBondContact ND2-O 3.39Å; N317-H319 PolarHBondContact O-N 3.29Å; N317-H319 PolarHBondContact OD1-N 2.91Å; N317-H319 VanDerWaalsContact OD1-N 3.15Å; H319-H321 PolarHBondContact O-CD2 3.04Å; H319-H321 PolarHBondContact O-N 2.77Å
320S91Very high79.6Confident54 Ų5480.5 Ų80.538%0.37841%0.414SS..  trans-84.6111.3177.5179.20000110.9N317 N326N317-S320 PolarHBondContact O-N 2.75Å; S320-N326 PolarHBondContact OG-ND2 3.07Å
321H89.4Confident81.8Confident122 Ų12281.4 Ų81.457%0.56540%0.404SS*.  trans-114.518.5-177.3-58.1-67.2000113.2I318 H319 N326I318-H321 PolarHBondContact O-CE1 2.91Å; I318-H321 PolarHBondContact O-NE2 3.04Å; H319-H321 PolarHBondContact O-CD2 3.04Å; H319-H321 PolarHBondContact O-N 2.77Å; H321-N326 PolarHBondContact N-OD1 3.01Å
322G91.3Very high84Confident38 Ų3878.7 Ų78.739%0.39240%0.395SS..  trans101.1154.7-178.700000112.6W324 S325 N326G322-W324 VanDerWaalsContact C-N 3.33Å; G322-W324 PolarHBondContact O-N 3.16Å; G322-S325 PolarHBondContact O-N 3.02Å; G322-S325 VanDerWaalsContact O-N 3.16Å; G322-N326 WeakPolarHBondContact O-CB 3.28Å; G322-N326 PolarHBondContact O-N 3.42Å; G322-N326 PolarHBondContact O-ND2 3.11Å; G322-N326 PolarHBondContact O-OD1 2.76Å
323L92Very high85.8Confident109 Ų10974.6 Ų74.657%0.57137%0.369SS*.Hα-helixtrans-51.6-47.2-167.4-179.863.2000113.5A282 N326 L327A282-L323 HydrophobicContact CB-CD1 3.57Å; L323-N326 PolarHBondContact O-N 2.9Å; L323-L327 HydrophobicContact CD1-CD1 4.13Å; L323-L327 HydrophobicContact CD1-CG 4.33Å; L323-L327 HydrophobicContact CG-CD1 4.23Å; L323-L327 WeakPolarHBondContact O-CG 3.42Å; L323-L327 PolarHBondContact O-N 3.43Å
324W92.6Very high86.7Confident202 Ų20270.3 Ų70.377%0.76536%0.356SS*.Hα-helixtrans-66.8-45.8-178.2-174.2-105.7000112.7G322 N326 L327 Q328G322-W324 VanDerWaalsContact C-N 3.33Å; G322-W324 PolarHBondContact O-N 3.16Å; W324-N326 VanDerWaalsContact C-N 3.31Å; W324-N326 PolarHBondContact O-N 3.23Å; W324-L327 PolarHBondContact O-N 2.81Å; W324-Q328 WeakPolarHBondContact O-CB 3.33Å; W324-Q328 PolarHBondContact O-N 3.3Å
325S92.4Very high87.5Confident49 Ų4971.4 Ų71.434%0.34335%0.352SS..Hα-helixtrans-63.5-40.1177.7-178.80000111.4G322 Q328 E329G322-S325 PolarHBondContact O-N 3.02Å; G322-S325 VanDerWaalsContact O-N 3.16Å; S325-Q328 PolarHBondContact O-N 3.19Å; S325-E329 PolarHBondContact O-N 3.01Å
326N94.5Very high87.5Confident1 Ų170.8 Ų70.81%0.00535%0.352CS..Hα-helixtrans-62.8-44.9177.6-65.3-9000111.6A282 N284 S320 H321 G322 L323 W324 E329 I330A282-N326 PolarHBondContact O-ND2 2.87Å; N284-N326 HydrophobicContact CB-CB 3.9Å; S320-N326 PolarHBondContact OG-ND2 3.07Å; H321-N326 PolarHBondContact N-OD1 3.01Å; G322-N326 WeakPolarHBondContact O-CB 3.28Å; G322-N326 PolarHBondContact O-N 3.42Å; G322-N326 PolarHBondContact O-ND2 3.11Å; G322-N326 PolarHBondContact O-OD1 2.76Å; L323-N326 PolarHBondContact O-N 2.9Å; W324-N326 VanDerWaalsContact C-N 3.31Å; W324-N326 PolarHBondContact O-N 3.23Å; N326-E329 PolarHBondContact O-N 3.39Å; N326-I330 PolarHBondContact O-N 2.87Å
327L93.6Very high86.7Confident51 Ų5166.4 Ų66.427%0.26735%0.352SS..Hα-helixtrans-68.1-39175.2-69.9175.8000111.8A281 L323 W324 E329 I330 F331A281-L327 HydrophobicContact CB-CD2 4.24Å; L323-L327 HydrophobicContact CD1-CD1 4.13Å; L323-L327 HydrophobicContact CD1-CG 4.33Å; L323-L327 HydrophobicContact CG-CD1 4.23Å; L323-L327 WeakPolarHBondContact O-CG 3.42Å; L323-L327 PolarHBondContact O-N 3.43Å; W324-L327 PolarHBondContact O-N 2.81Å; L327-E329 VanDerWaalsContact C-N 3.29Å; L327-E329 PolarHBondContact O-N 2.93Å; L327-I330 WeakPolarHBondContact O-CB 3.12Å; L327-I330 PolarHBondContact O-N 3.45Å; L327-F331 WeakPolarHBondContact O-CD2 3.4Å; L327-F331 PolarHBondContact O-N 3.22Å; L327-F331 VanDerWaalsContact O-N 3.08Å
328Q93.4Very high85Confident100 Ų10072.6 Ų72.647%0.46738%0.379SS..Hα-helixtrans-58.7-42.1177-172.3178-6.400111.3W324 S325 I330 F331 L332W324-Q328 WeakPolarHBondContact O-CB 3.33Å; W324-Q328 PolarHBondContact O-N 3.3Å; S325-Q328 PolarHBondContact O-N 3.19Å; Q328-I330 PolarHBondContact O-N 3.43Å; Q328-F331 PolarHBondContact O-N 3.27Å; Q328-L332 HydrophobicContact CG-CB 4.49Å; Q328-L332 HydrophobicContact CG-CD1 4.17Å; Q328-L332 CarbonylContact O-C 3.51Å; Q328-L332 WeakPolarHBondContact O-CA 3.45Å; Q328-L332 WeakPolarHBondContact O-CB 3.45Å; Q328-L332 PolarHBondContact O-N 3.16Å
329E92.1Very high82.8Confident29 Ų2972.9 Ų72.914%0.13640%0.397CS..Hα-helixtrans-61.1-32.4175.5-171.1-174.5138.100112.7Y138 R161 R174 N284 S325 N326 L327 L332 P333Y138-E329 VanDerWaalsContact CE1-OE1 3.24Å; Y138-E329 WeakPolarHBondContact CE1-OE1 3.49Å; Y138-E329 VanDerWaalsContact CZ-OE1 3.28Å; Y138-E329 PolarHBondContact OH-OE1 2.75Å; R161-E329 IonicContact NH1-OE1 3.08Å; R161-E329 PolarHBondContact NH1-OE1 2.88Å; R161-E329 VanDerWaalsContact NH1-OE1 3.12Å; R174-E329 IonicContact CZ-OE1 3.63Å; R174-E329 IonicContact NE-OE1 3.97Å; R174-E329 PolarHBondContact NE-OE1 2.81Å; R174-E329 IonicContact NH2-OE1 3.92Å; N284-E329 PolarHBondContact ND2-OE2 3.32Å; S325-E329 PolarHBondContact O-N 3.01Å; N326-E329 PolarHBondContact O-N 3.39Å; L327-E329 VanDerWaalsContact C-N 3.29Å; L327-E329 PolarHBondContact O-N 2.93Å; E329-L332 CarbonylContact O-C 3.53Å; E329-P333 WeakPolarHBondContact O-CA 3.36Å
330I93.1Very high80.3Confident3 Ų383.9 Ų83.92%0.01544%0.438CS..Hα-helixtrans-74-45-179.8-69.7170.3000111.2I191 L195 A281 N326 L327 Q328I191-I330 HydrophobicContact CG1-CG2 4.37Å; I191-I330 HydrophobicContact CG2-CG2 4.12Å; L195-I330 HydrophobicContact CD1-CG2 3.58Å; A281-I330 VanDerWaalsContact CA-CD1 3.43Å; A281-I330 HydrophobicContact CB-CD1 3.31Å; N326-I330 PolarHBondContact O-N 2.87Å; L327-I330 WeakPolarHBondContact O-CB 3.12Å; L327-I330 PolarHBondContact O-N 3.45Å; Q328-I330 PolarHBondContact O-N 3.43Å
331F92.9Very high77.8Confident92 Ų9290.6 Ų90.640%0.40446%0.46SS..Hα-helixtrans-83.1-30.1-177.4-73.6-81.7000112.8R192 I196 L327 Q328 P333R192-F331 HydrophobicContact CB-CD1 3.95Å; R192-F331 HydrophobicContact CB-CE1 4.27Å; R192-F331 WeakPolarHBondContact CD-O 3.47Å; R192-F331 PolarHBondContact NH1-O 3.33Å; I196-F331 HydrophobicContact CD1-CE1 4.29Å; I196-F331 HydrophobicContact CG1-CE1 4.41Å; L327-F331 WeakPolarHBondContact O-CD2 3.4Å; L327-F331 PolarHBondContact O-N 3.22Å; L327-F331 VanDerWaalsContact O-N 3.08Å; Q328-F331 PolarHBondContact O-N 3.27Å; F331-P333 WeakPolarHBondContact O-CD 2.97Å
332L90.1Very high75.1Confident118 Ų11893.1 Ų93.162%0.61847%0.47SS*.SBendtrans-12473.8177.4-61.4173.2000109.1Q328 E329 A334Q328-L332 HydrophobicContact CG-CB 4.49Å; Q328-L332 HydrophobicContact CG-CD1 4.17Å; Q328-L332 CarbonylContact O-C 3.51Å; Q328-L332 WeakPolarHBondContact O-CA 3.45Å; Q328-L332 WeakPolarHBondContact O-CB 3.45Å; Q328-L332 PolarHBondContact O-N 3.16Å; E329-L332 CarbonylContact O-C 3.53Å; L332-A334 PolarHBondContact O-N 3.21Å
333P83.8Confident72.5Confident6 Ų6100.1 Ų100.14%0.03949%0.492CS..PPolyproline II helixtrans-61.9140.5-177.525.9-34000111.2A188 E329 F331 F335A188-P333 VanDerWaalsContact O-CB 3.29Å; A188-P333 WeakPolarHBondContact O-CB 3.12Å; E329-P333 WeakPolarHBondContact O-CA 3.36Å; F331-P333 WeakPolarHBondContact O-CD 2.97Å; P333-F335 VanDerWaalsContact O-CD2 3.28Å; P333-F335 WeakPolarHBondContact O-CD2 2.97Å; P333-F335 PolarHBondContact O-N 3.3Å; P333-F335 VanDerWaalsContact O-N 3.16Å
334A75.9Confident69.7Low43 Ų43106.3 Ų106.336%0.35552%0.518SS..PPolyproline II helixtrans-57.2121.4176.200000109.6V137 L332V137-A334 HydrophobicContact CG1-CB 3.84Å; L332-A334 PolarHBondContact O-N 3.21Å
335F75.3Confident68.5Low130 Ų130101.6 Ų101.657%0.5751%0.506SS*.PPolyproline II helixtrans-89.3141169.7-75.2-83.1000109W189 P333 C337W189-F335 HydrophobicContact CZ2-CD1 4.26Å; W189-F335 HydrophobicContact CZ2-CE1 4.3Å; W189-F335 AromaticContact NE1-CE1 3.96Å; P333-F335 VanDerWaalsContact O-CD2 3.28Å; P333-F335 WeakPolarHBondContact O-CD2 2.97Å; P333-F335 PolarHBondContact O-N 3.3Å; P333-F335 VanDerWaalsContact O-N 3.16Å; F335-C337 PolarHBondContact O-N 2.82Å
336P69.6Low67.3Low30 Ų30104.3 Ų104.320%0.19552%0.515CS..  trans-63.2105.6169.4-3.313.3000109L133 F134 V137 H338L133-P336 HydrophobicContact CB-CB 3.49Å; L133-P336 VanDerWaalsContact CB-CB 3.49Å; L133-P336 HydrophobicContact CB-CG 4.28Å; L133-P336 HydrophobicContact CD1-CB 4.4Å; L133-P336 HydrophobicContact CG-CB 4.44Å; F134-P336 HydrophobicContact CD1-CG 3.88Å; F134-P336 HydrophobicContact CE1-CG 3.59Å; F134-P336 HydrophobicContact CE2-CG 4.36Å; F134-P336 HydrophobicContact CG-CG 4.39Å; F134-P336 HydrophobicContact CZ-CG 3.86Å; V137-P336 HydrophobicContact CG2-CB 4.37Å; P336-H338 PolarHBondContact O-N 2.85Å
337C57.5Low65.8Low115 Ų115110.1 Ų110.178%0.77754%0.543SS*.  trans-64.2127.1173.8-81.10000109.3F335 G339F335-C337 PolarHBondContact O-N 2.82Å; C337-G339 VanDerWaalsContact C-N 3.33Å; C337-G339 PolarHBondContact O-N 3.03Å
338H48.1Very low64.1Low163 Ų163113.5 Ų113.576%0.75556%0.559SS**  trans-66.897.8164.5-119.834.8000107.1P336 R340P336-H338 PolarHBondContact O-N 2.85Å; H338-R340 PolarHBondContact O-N 3.35Å
339G42.1Very low62.3Low65 Ų65114.4 Ų114.467%0.6757%0.565SS**  trans-57.6109.5165.800000107.7C337 K341C337-G339 VanDerWaalsContact C-N 3.33Å; C337-G339 PolarHBondContact O-N 3.03Å; G339-K341 VanDerWaalsContact C-N 3.34Å; G339-K341 PolarHBondContact O-N 2.79Å
340R36Very low60.3Low242 Ų242120.1 Ų120.191%0.91359%0.593SS**  trans-51.6109.5154.5-88.9-178.1177.4173.6-0.9105H338 K342H338-R340 PolarHBondContact O-N 3.35Å; R340-K342 VanDerWaalsContact C-N 3.33Å; R340-K342 PolarHBondContact O-N 2.76Å
341K37.5Very low58Low194 Ų194128.4 Ų128.484%0.84364%0.635SS**  trans-53.8107.3159.7-75.5-177.8175.9-178.40105.3G339 Q343G339-K341 VanDerWaalsContact C-N 3.34Å; G339-K341 PolarHBondContact O-N 2.79Å; K341-Q343 VanDerWaalsContact C-N 3.26Å; K341-Q343 PolarHBondContact O-N 2.98Å
342K34.1Very low55.3Low176 Ų176131.2 Ų131.277%0.76565%0.652SS**  trans-63.4102.8151.9-88.6-170168.6-161.50104.7R340 E344R340-K342 VanDerWaalsContact C-N 3.33Å; R340-K342 PolarHBondContact O-N 2.76Å; K342-E344 PolarHBondContact O-N 3.09Å
343Q35.7Very low52.4Low185 Ų185132.3 Ų132.386%0.86466%0.655SS**  trans-68106.5150.5-80.8175.2-4100105K341K341-Q343 VanDerWaalsContact C-N 3.26Å; K341-Q343 PolarHBondContact O-N 2.98Å
344E33Very low49.5Very low239 Ų239143.8 Ų143.8100%1.11771%0.711SS**  trans-1490157.8-102.7166.2-16600107.2K342K342-E344 PolarHBondContact O-N 3.09Å

Retrieved 344 of 344 residues in 1430.5 ms (Link to these results)

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