A0A096NW50_PAPAN Loading...

Adenosine receptor A2

Receptor for adenosine. The activity of this receptor is mediated by G proteins which activate adenylyl cyclase.

AlphaFold DB , UniProt , Accession A0A096NW50, Species PAPAN (Papio anubis, Olive baboon), Gene ADORA2A, Length 409 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
1M67.1Low90.7Very high83 Ų8361.4 Ų61.441%0.40938%0.384SS..  0122.20-170.3157.865.400107.4V5 Y6 Y268 V272M1-V5 HydrophobicContact CG-CB 3.91Å; M1-V5 HydrophobicContact CG-CG1 3.74Å; M1-V5 HydrophobicContact SD-CG1 4.11Å; M1-Y6 HydrophobicContact CE-CD2 3.75Å; M1-Y6 HydrophobicContact CE-CG 4.33Å; M1-Y268 VanDerWaalsContact CE-CB 3.48Å; M1-Y268 HydrophobicContact CE-CG 4.48Å; M1-V272 HydrophobicContact CE-CG2 4.14Å
2G81.4Confident91.3Very high44 Ų4460.6 Ų60.645%0.45439%0.387SS..  trans-71.5155.3177.500000111.6S4 V5 Y6G2-S4 VanDerWaalsContact C-N 3.31Å; G2-S4 PolarHBondContact O-N 3.12Å; G2-V5 WeakPolarHBondContact O-CB 3.42Å; G2-V5 PolarHBondContact O-N 3.4Å; G2-Y6 PolarHBondContact O-N 3.29Å
3S83.1Confident91.9Very high78 Ų7857 Ų5755%0.54536%0.363SS..Hα-helixtrans-57-40.4-175-50.30000113.2V5 Y6 I7S3-V5 VanDerWaalsContact C-N 3.32Å; S3-V5 PolarHBondContact O-N 3.49Å; S3-Y6 WeakPolarHBondContact O-CB 3.35Å; S3-Y6 PolarHBondContact O-N 3.36Å; S3-I7 VanDerWaalsContact O-CG1 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.35Å; S3-I7 PolarHBondContact O-N 2.88Å
4S91.7Very high92.3Very high94 Ų9453.5 Ų53.566%0.65734%0.342SS*.Hα-helixtrans-65.6-34.7176.7-46.50000113G2 T8G2-S4 VanDerWaalsContact C-N 3.31Å; G2-S4 PolarHBondContact O-N 3.12Å; S4-T8 WeakPolarHBondContact O-CB 3.3Å; S4-T8 PolarHBondContact O-N 3.03Å; S4-T8 PolarHBondContact O-OG1 3.36Å
5V94.6Very high92.7Very high80 Ų8055.5 Ų55.549%0.48535%0.353SS..Hα-helixtrans-68.6-45.1176.5179.90000110M1 G2 S3 I7 T8 V9M1-V5 HydrophobicContact CG-CB 3.91Å; M1-V5 HydrophobicContact CG-CG1 3.74Å; M1-V5 HydrophobicContact SD-CG1 4.11Å; G2-V5 WeakPolarHBondContact O-CB 3.42Å; G2-V5 PolarHBondContact O-N 3.4Å; S3-V5 VanDerWaalsContact C-N 3.32Å; S3-V5 PolarHBondContact O-N 3.49Å; V5-I7 PolarHBondContact O-N 3.25Å; V5-T8 PolarHBondContact O-N 3.18Å; V5-V9 HydrophobicContact CG1-CG2 4.4Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.49Å; V5-V9 PolarHBondContact O-N 3.18Å
6Y94.4Very high93.1Very high2 Ų257.6 Ų57.61%0.00836%0.36CS..Hα-helixtrans-54.7-53.4175.6170.4-115.1000111.5M1 G2 S3 T8 V9 E10 Y268 V272M1-Y6 HydrophobicContact CE-CD2 3.75Å; M1-Y6 HydrophobicContact CE-CG 4.33Å; G2-Y6 PolarHBondContact O-N 3.29Å; S3-Y6 WeakPolarHBondContact O-CB 3.35Å; S3-Y6 PolarHBondContact O-N 3.36Å; Y6-T8 VanDerWaalsContact C-N 3.34Å; Y6-T8 PolarHBondContact O-N 3.13Å; Y6-V9 PolarHBondContact O-N 3.37Å; Y6-E10 HydrophobicContact CD2-CG 3.89Å; Y6-E10 HydrophobicContact CE1-CG 4.26Å; Y6-E10 HydrophobicContact CE2-CG 3.4Å; Y6-E10 WeakPolarHBondContact CE2-OE1 3.29Å; Y6-E10 HydrophobicContact CG-CG 4.5Å; Y6-E10 WeakPolarHBondContact O-CB 3.47Å; Y6-E10 WeakPolarHBondContact O-CG 3.4Å; Y6-E10 PolarHBondContact O-N 3.35Å; Y6-E10 PolarHBondContact OH-OE1 2.94Å; Y6-Y268 HydrophobicContact CD1-CD1 4.48Å; Y6-Y268 HydrophobicContact CD1-CE1 4.46Å; Y6-Y268 HydrophobicContact CD2-CD1 4.17Å; Y6-Y268 HydrophobicContact CD2-CG 4.02Å; Y6-Y268 HydrophobicContact CE1-CD1 4.4Å; Y6-Y268 HydrophobicContact CE1-CE1 4.36Å; Y6-Y268 HydrophobicContact CE2-CD1 4.08Å; Y6-Y268 HydrophobicContact CE2-CG 4.34Å; Y6-Y268 HydrophobicContact CG-CD1 4.38Å; Y6-Y268 HydrophobicContact CG-CD2 4.42Å; Y6-Y268 HydrophobicContact CG-CG 4.23Å; Y6-V272 HydrophobicContact CD2-CG2 3.92Å; Y6-V272 HydrophobicContact CE2-CG2 3.9Å
7I95.6Very high93.4Very high57 Ų5754.2 Ų54.229%0.29234%0.339SS..Hα-helixtrans-60.5-43.4-179.4-64.1168.9000111.2S3 V5 V9 E10 L11 I61S3-I7 VanDerWaalsContact O-CG1 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.35Å; S3-I7 PolarHBondContact O-N 2.88Å; V5-I7 PolarHBondContact O-N 3.25Å; I7-V9 PolarHBondContact O-N 2.85Å; I7-E10 PolarHBondContact O-N 3.12Å; I7-L11 HydrophobicContact CG2-CD1 3.92Å; I7-L11 HydrophobicContact CG2-CG 4.29Å; I7-L11 WeakPolarHBondContact O-CB 3.5Å; I7-L11 VanDerWaalsContact O-CG 3.3Å; I7-L11 WeakPolarHBondContact O-CG 3.33Å; I7-L11 PolarHBondContact O-N 3.04Å; I7-I61 HydrophobicContact CD1-CG2 4.34Å; I7-I61 HydrophobicContact CG1-CG2 4.03Å; I7-I61 HydrophobicContact CG2-CD1 4.33Å; I7-I61 HydrophobicContact CG2-CG2 4.42Å
8T96.9Very high93.7Very high94 Ų9454.1 Ų54.158%0.57734%0.335SS*.Hα-helixtrans-62.8-42.9-179.8-56.70000111.7S4 V5 Y6 A12S4-T8 WeakPolarHBondContact O-CB 3.3Å; S4-T8 PolarHBondContact O-N 3.03Å; S4-T8 PolarHBondContact O-OG1 3.36Å; V5-T8 PolarHBondContact O-N 3.18Å; Y6-T8 VanDerWaalsContact C-N 3.34Å; Y6-T8 PolarHBondContact O-N 3.13Å; T8-A12 PolarHBondContact O-N 3.09Å; T8-A12 VanDerWaalsContact O-N 3.09Å
9V97.3Very high93.9Very high54 Ų5457.2 Ų57.233%0.32735%0.348SS..Hα-helixtrans-65.6-45.9177.9171.30000110.9V5 Y6 I7 L11 A12 I13 V272V5-V9 HydrophobicContact CG1-CG2 4.4Å; V5-V9 VanDerWaalsContact O-CG2 3.31Å; V5-V9 WeakPolarHBondContact O-CG2 3.49Å; V5-V9 PolarHBondContact O-N 3.18Å; Y6-V9 PolarHBondContact O-N 3.37Å; I7-V9 PolarHBondContact O-N 2.85Å; V9-L11 PolarHBondContact O-N 3.24Å; V9-A12 PolarHBondContact O-N 3.03Å; V9-I13 HydrophobicContact CG1-CD1 3.9Å; V9-I13 WeakPolarHBondContact O-CG1 3.32Å; V9-I13 PolarHBondContact O-N 3.22Å; V9-V272 HydrophobicContact CG1-CG1 3.68Å; V9-V272 HydrophobicContact CG1-CG2 4.14Å
10E97.6Very high94.1Very high0 Ų055.2 Ų55.20%034%0.339CS..Hα-helixtrans-59.2-46.3177.1-77.1-74.7-166.400112.3Y6 I7 A12 I13 A14 I57 I61 V272 H275Y6-E10 HydrophobicContact CD2-CG 3.89Å; Y6-E10 HydrophobicContact CE1-CG 4.26Å; Y6-E10 HydrophobicContact CE2-CG 3.4Å; Y6-E10 WeakPolarHBondContact CE2-OE1 3.29Å; Y6-E10 HydrophobicContact CG-CG 4.5Å; Y6-E10 WeakPolarHBondContact O-CB 3.47Å; Y6-E10 WeakPolarHBondContact O-CG 3.4Å; Y6-E10 PolarHBondContact O-N 3.35Å; Y6-E10 PolarHBondContact OH-OE1 2.94Å; I7-E10 PolarHBondContact O-N 3.12Å; E10-A12 VanDerWaalsContact C-N 3.33Å; E10-A12 PolarHBondContact O-N 3.28Å; E10-I13 WeakPolarHBondContact O-CB 3.45Å; E10-I13 PolarHBondContact O-N 3.21Å; E10-A14 PolarHBondContact O-N 3.48Å; E10-I57 HydrophobicContact CB-CG2 3.8Å; E10-I61 HydrophobicContact CB-CD1 4Å; E10-I61 HydrophobicContact CB-CG1 4.17Å; E10-V272 HydrophobicContact CG-CG2 4.3Å; E10-H275 VanDerWaalsContact CD-ND1 3.27Å; E10-H275 IonicContact OE1-CE1 3.47Å; E10-H275 PolarHBondContact OE1-CE1 3.46Å; E10-H275 IonicContact OE1-ND1 2.96Å; E10-H275 PolarHBondContact OE1-ND1 3.33Å; E10-H275 IonicContact OE2-CE1 3.75Å; E10-H275 IonicContact OE2-CG 3.73Å; E10-H275 IonicContact OE2-ND1 2.81Å; E10-H275 PolarHBondContact OE2-ND1 2.97Å
11L97.9Very high94.3Very high89 Ų8952.5 Ų52.547%0.46632%0.323SS..Hα-helixtrans-63.2-38.6177.2-70.9176.3000112.3I7 V9 I13 A14 V15 I61I7-L11 HydrophobicContact CG2-CD1 3.92Å; I7-L11 HydrophobicContact CG2-CG 4.29Å; I7-L11 WeakPolarHBondContact O-CB 3.5Å; I7-L11 VanDerWaalsContact O-CG 3.3Å; I7-L11 WeakPolarHBondContact O-CG 3.33Å; I7-L11 PolarHBondContact O-N 3.04Å; V9-L11 PolarHBondContact O-N 3.24Å; L11-I13 VanDerWaalsContact C-N 3.35Å; L11-A14 PolarHBondContact O-N 3.3Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 3.44Å; L11-V15 VanDerWaalsContact O-N 3.08Å; L11-I61 HydrophobicContact CD2-CD1 4.02Å; L11-I61 HydrophobicContact CG-CD1 4.19Å
12A98.3Very high95.8Very high52 Ų5251.7 Ų51.743%0.4332%0.323SS..Hα-helixtrans-62.8-43174.400000111.5T8 V9 E10 V15 L16T8-A12 PolarHBondContact O-N 3.09Å; T8-A12 VanDerWaalsContact O-N 3.09Å; V9-A12 PolarHBondContact O-N 3.03Å; E10-A12 VanDerWaalsContact C-N 3.33Å; E10-A12 PolarHBondContact O-N 3.28Å; A12-V15 PolarHBondContact O-N 3.19Å; A12-L16 VanDerWaalsContact O-CG 3.32Å; A12-L16 WeakPolarHBondContact O-CG 3.42Å; A12-L16 PolarHBondContact O-N 2.91Å; A12-L16 VanDerWaalsContact O-N 3.1Å
13I98.3Very high96.5Very high14 Ų1451.2 Ų51.27%0.07231%0.309CS..Hα-helixtrans-62.3-44.3175.5-69.3168.5000110.7V9 E10 L11 V15 L16 A17 I57 V272 H275 T276 V279V9-I13 HydrophobicContact CG1-CD1 3.9Å; V9-I13 WeakPolarHBondContact O-CG1 3.32Å; V9-I13 PolarHBondContact O-N 3.22Å; E10-I13 WeakPolarHBondContact O-CB 3.45Å; E10-I13 PolarHBondContact O-N 3.21Å; L11-I13 VanDerWaalsContact C-N 3.35Å; I13-V15 PolarHBondContact O-N 3.42Å; I13-L16 PolarHBondContact O-N 3.47Å; I13-A17 VanDerWaalsContact O-CB 3.31Å; I13-A17 WeakPolarHBondContact O-CB 3.47Å; I13-A17 PolarHBondContact O-N 3Å; I13-I57 HydrophobicContact CB-CD1 4.29Å; I13-I57 HydrophobicContact CG2-CD1 3.79Å; I13-V272 HydrophobicContact CD1-CG1 3.72Å; I13-H275 HydrophobicContact CG2-CB 4.05Å; I13-T276 WeakPolarHBondContact CD1-OG1 3.45Å; I13-V279 HydrophobicContact CG2-CG2 3.78Å
14A98.4Very high97.2Very high8 Ų847.5 Ų47.57%0.06628%0.283CS..Hα-helixtrans-57.3-48.8178.300000112E10 L11 L16 A17 I18 I57E10-A14 PolarHBondContact O-N 3.48Å; L11-A14 PolarHBondContact O-N 3.3Å; A14-L16 PolarHBondContact O-N 3.26Å; A14-A17 PolarHBondContact O-N 2.88Å; A14-I18 WeakPolarHBondContact O-CD1 3.29Å; A14-I18 VanDerWaalsContact O-CG1 3.22Å; A14-I18 WeakPolarHBondContact O-CG1 3.47Å; A14-I18 PolarHBondContact O-N 2.96Å; A14-I57 HydrophobicContact CB-CB 4.25Å; A14-I57 HydrophobicContact CB-CD1 3.77Å; A14-I57 HydrophobicContact CB-CG2 4.04Å
15V98.4Very high97.5Very high83 Ų8344.6 Ų44.650%0.50326%0.263SS..Hα-helixtrans-60.8-46178.3172.50000111L11 A12 I13 I18 L19L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 3.44Å; L11-V15 VanDerWaalsContact O-N 3.08Å; A12-V15 PolarHBondContact O-N 3.19Å; I13-V15 PolarHBondContact O-N 3.42Å; V15-I18 PolarHBondContact O-N 3.04Å; V15-L19 HydrophobicContact CG1-CD1 3.75Å; V15-L19 HydrophobicContact CG1-CG 4.32Å; V15-L19 WeakPolarHBondContact O-CB 3.44Å; V15-L19 VanDerWaalsContact O-CG 3.3Å; V15-L19 WeakPolarHBondContact O-CG 3.47Å; V15-L19 PolarHBondContact O-N 3.42Å
16L98.3Very high97.6Very high90 Ų9044.9 Ų44.947%0.47126%0.255SS..Hα-helixtrans-65-40.9179.4-69.1174000112.3A12 I13 A14 G20 V279A12-L16 VanDerWaalsContact O-CG 3.32Å; A12-L16 WeakPolarHBondContact O-CG 3.42Å; A12-L16 PolarHBondContact O-N 2.91Å; A12-L16 VanDerWaalsContact O-N 3.1Å; I13-L16 PolarHBondContact O-N 3.47Å; A14-L16 PolarHBondContact O-N 3.26Å; L16-G20 PolarHBondContact O-N 2.89Å; L16-V279 HydrophobicContact CB-CG1 3.8Å; L16-V279 HydrophobicContact CB-CG2 3.94Å; L16-V279 HydrophobicContact CD1-CG1 4.32Å
17A98.1Very high97.7Very high0 Ų044.8 Ų44.80%026%0.255CS..Hα-helixtrans-63.1-45.6177.900000111I13 A14 N21 V279I13-A17 VanDerWaalsContact O-CB 3.31Å; I13-A17 WeakPolarHBondContact O-CB 3.47Å; I13-A17 PolarHBondContact O-N 3Å; A14-A17 PolarHBondContact O-N 2.88Å; A17-N21 WeakPolarHBondContact O-CB 3.11Å; A17-N21 PolarHBondContact O-N 3.33Å; A17-N21 VanDerWaalsContact O-N 3.12Å; A17-N21 PolarHBondContact O-ND2 3.36Å; A17-V279 HydrophobicContact CB-CG2 4.03Å
18I98.6Very high97.8Very high51 Ų5142.5 Ų42.526%0.26224%0.243SC..Hα-helixtrans-63.5-55.7178.4-65.4164.2000110.3A14 V15 G20 N21 V22 V54A14-I18 WeakPolarHBondContact O-CD1 3.29Å; A14-I18 VanDerWaalsContact O-CG1 3.22Å; A14-I18 WeakPolarHBondContact O-CG1 3.47Å; A14-I18 PolarHBondContact O-N 2.96Å; V15-I18 PolarHBondContact O-N 3.04Å; I18-G20 PolarHBondContact O-N 3.34Å; I18-N21 PolarHBondContact O-N 2.63Å; I18-V22 HydrophobicContact CG2-CG2 4.22Å; I18-V22 VanDerWaalsContact O-CB 3.3Å; I18-V22 WeakPolarHBondContact O-CB 3.5Å; I18-V22 WeakPolarHBondContact O-CG2 3.41Å; I18-V22 PolarHBondContact O-N 3.33Å; I18-V54 HydrophobicContact CD1-CG2 3.73Å; I18-V54 HydrophobicContact CG1-CG2 3.9Å
19L97.9Very high97.7Very high114 Ų11447 Ų4760%0.59725%0.25SS*.Hα-helixtrans-61.6-44.8-175.1-68.8177.2000112V15 L23V15-L19 HydrophobicContact CG1-CD1 3.75Å; V15-L19 HydrophobicContact CG1-CG 4.32Å; V15-L19 WeakPolarHBondContact O-CB 3.44Å; V15-L19 VanDerWaalsContact O-CG 3.3Å; V15-L19 WeakPolarHBondContact O-CG 3.47Å; V15-L19 PolarHBondContact O-N 3.42Å; L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 PolarHBondContact O-N 2.77Å; L19-L23 VanDerWaalsContact O-N 3.15Å
20G97.6Very high97.6Very high16 Ų1648.2 Ų48.217%0.16525%0.254CS..Hα-helixtrans-64.5-46.1-178.800000112.4L16 I18 L23 V24 P282L16-G20 PolarHBondContact O-N 2.89Å; I18-G20 PolarHBondContact O-N 3.34Å; G20-L23 WeakPolarHBondContact O-CB 3.45Å; G20-L23 PolarHBondContact O-N 2.97Å; G20-V24 WeakPolarHBondContact O-CG2 3.5Å; G20-V24 PolarHBondContact O-N 3.07Å; G20-V24 VanDerWaalsContact O-N 3.14Å; G20-P282 WeakPolarHBondContact O-CG 3.47Å
21N98.3Very high97.4Very high0 Ų049.8 Ų49.80%026%0.263CS..Hα-helixtrans-79.5-29.1-176.5-71.2-66.8000113A17 I18 L23 V24 C25 A46 D49 I50 S278A17-N21 WeakPolarHBondContact O-CB 3.11Å; A17-N21 PolarHBondContact O-N 3.33Å; A17-N21 VanDerWaalsContact O-N 3.12Å; A17-N21 PolarHBondContact O-ND2 3.36Å; I18-N21 PolarHBondContact O-N 2.63Å; N21-L23 VanDerWaalsContact C-N 3.26Å; N21-L23 PolarHBondContact O-N 3.45Å; N21-V24 WeakPolarHBondContact O-CB 3.44Å; N21-V24 PolarHBondContact O-N 3.19Å; N21-C25 PolarHBondContact O-N 3.08Å; N21-C25 PolarHBondContact O-SG 2.99Å; N21-A46 HydrophobicContact CB-CB 3.99Å; N21-D49 HydrophobicContact CB-CB 4.44Å; N21-D49 VanDerWaalsContact ND2-CB 3.34Å; N21-D49 WeakPolarHBondContact ND2-CB 3.39Å; N21-I50 HydrophobicContact CB-CD1 4.09Å; N21-I50 HydrophobicContact CB-CG1 3.55Å; N21-S278 PolarHBondContact ND2-O 3.46Å
22V98.3Very high97.2Very high66 Ų6649.6 Ų49.640%0.427%0.269SS..Hα-helixtrans-59.8-41.5166.9168.10000110.2I18 V24 C25 W26 I50I18-V22 HydrophobicContact CG2-CG2 4.22Å; I18-V22 VanDerWaalsContact O-CB 3.3Å; I18-V22 WeakPolarHBondContact O-CB 3.5Å; I18-V22 WeakPolarHBondContact O-CG2 3.41Å; I18-V22 PolarHBondContact O-N 3.33Å; V22-V24 VanDerWaalsContact C-N 3.33Å; V22-V24 PolarHBondContact O-N 3.41Å; V22-C25 PolarHBondContact O-N 2.81Å; V22-W26 WeakPolarHBondContact O-CB 3.47Å; V22-W26 PolarHBondContact O-N 2.88Å; V22-I50 HydrophobicContact CG2-CD1 3.83Å; V22-I50 HydrophobicContact CG2-CG1 4.26Å
23L97.3Very high96.9Very high33 Ų3353 Ų5317%0.17328%0.28CS..Hα-helixtrans-63.2-37.3175.7-175.465.1000112.4L19 G20 N21 W26 A27 F296 I299 I300L19-L23 WeakPolarHBondContact O-CB 3.46Å; L19-L23 PolarHBondContact O-N 2.77Å; L19-L23 VanDerWaalsContact O-N 3.15Å; G20-L23 WeakPolarHBondContact O-CB 3.45Å; G20-L23 PolarHBondContact O-N 2.97Å; N21-L23 VanDerWaalsContact C-N 3.26Å; N21-L23 PolarHBondContact O-N 3.45Å; L23-W26 PolarHBondContact O-N 3.15Å; L23-A27 WeakPolarHBondContact O-CB 3.47Å; L23-A27 PolarHBondContact O-N 2.89Å; L23-F296 HydrophobicContact CD1-CD1 4.16Å; L23-F296 HydrophobicContact CD2-CB 4.2Å; L23-F296 HydrophobicContact CD2-CD1 3.9Å; L23-F296 HydrophobicContact CD2-CD2 4.19Å; L23-F296 HydrophobicContact CD2-CE1 4.27Å; L23-F296 HydrophobicContact CD2-CG 3.85Å; L23-F296 HydrophobicContact CG-CD1 3.62Å; L23-F296 HydrophobicContact CG-CE1 3.78Å; L23-F296 HydrophobicContact CG-CG 4.12Å; L23-F296 HydrophobicContact CG-CZ 4.41Å; L23-F296 WeakPolarHBondContact O-CE1 3.34Å; L23-I299 HydrophobicContact CD1-CB 4.06Å; L23-I299 HydrophobicContact CD1-CD1 3.94Å; L23-I299 HydrophobicContact CD1-CG2 3.67Å; L23-I300 HydrophobicContact CD2-CD1 4.4Å
24V97.5Very high96.6Very high0 Ų052.5 Ų52.50%028%0.277CS..Hα-helixtrans-59.8-53.2173.21740000110.5G20 N21 V22 W26 A27 V28 V42 A46 P282 Y285 F292 F296G20-V24 WeakPolarHBondContact O-CG2 3.5Å; G20-V24 PolarHBondContact O-N 3.07Å; G20-V24 VanDerWaalsContact O-N 3.14Å; N21-V24 WeakPolarHBondContact O-CB 3.44Å; N21-V24 PolarHBondContact O-N 3.19Å; V22-V24 VanDerWaalsContact C-N 3.33Å; V22-V24 PolarHBondContact O-N 3.41Å; V24-W26 VanDerWaalsContact C-N 3.31Å; V24-W26 PolarHBondContact O-N 3.06Å; V24-A27 PolarHBondContact O-N 2.99Å; V24-V28 PolarHBondContact O-N 3.26Å; V24-V28 VanDerWaalsContact O-N 3.16Å; V24-V42 HydrophobicContact CG1-CG1 3.85Å; V24-A46 HydrophobicContact CB-CB 4.23Å; V24-A46 HydrophobicContact CG1-CB 4.02Å; V24-P282 HydrophobicContact CG2-CB 4Å; V24-P282 HydrophobicContact CG2-CG 3.88Å; V24-Y285 HydrophobicContact CG1-CD2 4.32Å; V24-Y285 HydrophobicContact CG1-CE2 4.25Å; V24-Y285 HydrophobicContact CG2-CD2 3.82Å; V24-Y285 HydrophobicContact CG2-CE2 4.17Å; V24-F292 HydrophobicContact CG1-CE1 4.17Å; V24-F296 HydrophobicContact CG2-CZ 3.94Å
25C98.1Very high96.4Very high34 Ų3456.5 Ų56.523%0.2329%0.294CS..Hα-helixtrans-58.2-44.2178.2-67.20000111.6N21 V22 A27 V28 W29N21-C25 PolarHBondContact O-N 3.08Å; N21-C25 PolarHBondContact O-SG 2.99Å; V22-C25 PolarHBondContact O-N 2.81Å; C25-A27 PolarHBondContact O-N 3.36Å; C25-V28 PolarHBondContact O-N 3.38Å; C25-W29 WeakPolarHBondContact O-CB 3.44Å; C25-W29 PolarHBondContact O-N 3.1Å
26W97.1Very high96.1Very high86 Ų8655.6 Ų55.633%0.32629%0.287SS..Hα-helixtrans-64.5-39.7-179.9-163.54.8000112.3V22 L23 V24 W29 L30 I299 H303V22-W26 WeakPolarHBondContact O-CB 3.47Å; V22-W26 PolarHBondContact O-N 2.88Å; L23-W26 PolarHBondContact O-N 3.15Å; V24-W26 VanDerWaalsContact C-N 3.31Å; V24-W26 PolarHBondContact O-N 3.06Å; W26-W29 AromaticContact CD1-CE3 3.89Å; W26-W29 PolarHBondContact O-N 3.09Å; W26-L30 HydrophobicContact CG-CD1 4.32Å; W26-L30 WeakPolarHBondContact O-CG 3.28Å; W26-L30 PolarHBondContact O-N 3.39Å; W26-I299 HydrophobicContact CB-CD1 4.43Å; W26-I299 HydrophobicContact CD2-CG2 4.1Å; W26-I299 HydrophobicContact CE3-CG2 3.72Å; W26-I299 HydrophobicContact CG-CD1 4.29Å; W26-I299 HydrophobicContact CH2-CG2 4.22Å; W26-I299 HydrophobicContact CZ3-CG2 3.79Å; W26-H303 HydrophobicContact CH2-CB 3.85Å; W26-H303 AromaticContact CH2-CG 3.96Å; W26-H303 HydrophobicContact CZ2-CB 4.42Å; W26-H303 AromaticContact CZ2-CD2 3.85Å
27A96.5Very high95.8Very high0 Ų052.1 Ų52.10%027%0.27CS..Hα-helixtrans-64.2-43177.200000112.8L23 V24 C25 W29 L30 N31 L34 F292 T295 F296 I299L23-A27 WeakPolarHBondContact O-CB 3.47Å; L23-A27 PolarHBondContact O-N 2.89Å; V24-A27 PolarHBondContact O-N 2.99Å; C25-A27 PolarHBondContact O-N 3.36Å; A27-W29 VanDerWaalsContact C-N 3.32Å; A27-L30 PolarHBondContact O-N 3.17Å; A27-N31 WeakPolarHBondContact O-CB 3.42Å; A27-N31 PolarHBondContact O-N 2.76Å; A27-N31 VanDerWaalsContact O-N 3.08Å; A27-L34 HydrophobicContact CB-CD1 4.18Å; A27-F292 HydrophobicContact CB-CD1 4.12Å; A27-F292 HydrophobicContact CB-CE1 4.24Å; A27-T295 HydrophobicContact CB-CG2 3.7Å; A27-F296 HydrophobicContact CB-CD1 3.75Å; A27-F296 HydrophobicContact CB-CE1 3.49Å; A27-F296 VanDerWaalsContact CB-CE1 3.49Å; A27-I299 HydrophobicContact CB-CD1 4.05Å
28V96.7Very high95.5Very high8 Ų852.8 Ų52.85%0.04827%0.273CS..Hα-helixtrans-66.2-37.6176.2178.70000110.9V24 C25 L34 Q35 N39 V43 F292V24-V28 PolarHBondContact O-N 3.26Å; V24-V28 VanDerWaalsContact O-N 3.16Å; C25-V28 PolarHBondContact O-N 3.38Å; V28-L34 HydrophobicContact CG2-CB 4.39Å; V28-Q35 HydrophobicContact CG1-CG 4.48Å; V28-Q35 VanDerWaalsContact O-CG 3.23Å; V28-Q35 WeakPolarHBondContact O-CG 3.35Å; V28-Q35 PolarHBondContact O-NE2 2.98Å; V28-N39 HydrophobicContact CG1-CB 4.41Å; V28-N39 HydrophobicContact CG2-CB 4.35Å; V28-V43 HydrophobicContact CB-CG2 3.84Å; V28-V43 HydrophobicContact CG1-CG2 3.85Å; V28-V43 HydrophobicContact CG2-CG2 3.88Å; V28-F292 HydrophobicContact CG2-CE1 3.79Å; V28-F292 HydrophobicContact CG2-CZ 3.72Å
29W96.4Very high95.4Very high189 Ų18951 Ų5172%0.71626%0.264SS*.Hα-helixtrans-64.8-42.4176.8-175.872.4000112.6C25 W26 A27 Q35C25-W29 WeakPolarHBondContact O-CB 3.44Å; C25-W29 PolarHBondContact O-N 3.1Å; W26-W29 AromaticContact CD1-CE3 3.89Å; W26-W29 PolarHBondContact O-N 3.09Å; A27-W29 VanDerWaalsContact C-N 3.32Å; W29-Q35 PolarHBondContact O-NE2 3.12Å; W29-Q35 VanDerWaalsContact O-NE2 3.07Å
30L94.1Very high95.3Very high80 Ų8048.8 Ų48.842%0.41925%0.248SC..Hα-helixtrans-78.9-33.2-176.5-73.9176.7000114.9W26 A27 I299W26-L30 HydrophobicContact CG-CD1 4.32Å; W26-L30 WeakPolarHBondContact O-CG 3.28Å; W26-L30 PolarHBondContact O-N 3.39Å; A27-L30 PolarHBondContact O-N 3.17Å; L30-I299 HydrophobicContact CD1-CD1 3.91Å; L30-I299 HydrophobicContact CD1-CG1 3.71Å
31N94.1Very high95.3Very high32 Ų3248.5 Ų48.517%0.17124%0.243CC..  trans-108.5109-170.6-171.2-7.5000111.1A27 N33 L34 T295A27-N31 WeakPolarHBondContact O-CB 3.42Å; A27-N31 PolarHBondContact O-N 2.76Å; A27-N31 VanDerWaalsContact O-N 3.08Å; N31-N33 PolarHBondContact O-N 3.23Å; N31-N33 VanDerWaalsContact O-N 3.15Å; N31-N33 VanDerWaalsContact OD1-CB 3.29Å; N31-N33 WeakPolarHBondContact OD1-CB 3.36Å; N31-N33 PolarHBondContact OD1-N 3.35Å; N31-N33 PolarHBondContact OD1-ND2 3.11Å; N31-N33 VanDerWaalsContact OD1-ND2 3.09Å; N31-L34 HydrophobicContact CB-CB 4.38Å; N31-L34 HydrophobicContact CB-CD1 4.06Å; N31-L34 HydrophobicContact CB-CG 4.17Å; N31-L34 WeakPolarHBondContact O-CA 3.44Å; N31-L34 WeakPolarHBondContact O-CB 3.34Å; N31-L34 PolarHBondContact O-N 3.41Å; N31-T295 HydrophobicContact CB-CG2 4.03Å; N31-T295 PolarHBondContact ND2-OG1 3.48Å
32S93.1Very high95.1Very high85 Ų8548.7 Ų48.759%0.59424%0.244SC*.G310 helixtrans-58.9-26.3177.355.50000113.4L34 Q35S32-L34 PolarHBondContact O-N 2.96Å; S32-Q35 PolarHBondContact O-N 3.43Å; S32-Q35 VanDerWaalsContact O-N 3.09Å
33N91.6Very high95.1Very high123 Ų12347.7 Ų47.766%0.65824%0.238SC*.G310 helixtrans-66.9-22.4173.7-60.3-56.5000112.9N31N31-N33 PolarHBondContact O-N 3.23Å; N31-N33 VanDerWaalsContact O-N 3.15Å; N31-N33 VanDerWaalsContact OD1-CB 3.29Å; N31-N33 WeakPolarHBondContact OD1-CB 3.36Å; N31-N33 PolarHBondContact OD1-N 3.35Å; N31-N33 PolarHBondContact OD1-ND2 3.11Å; N31-N33 VanDerWaalsContact OD1-ND2 3.09Å
34L92.8Very high95.2Very high4 Ų446.5 Ų46.52%0.02123%0.232CC..G310 helixtrans-91.2-6.5174.8-66.4176.7000112.2A27 V28 N31 S32 N36 N39 E291 F292 T295A27-L34 HydrophobicContact CB-CD1 4.18Å; V28-L34 HydrophobicContact CG2-CB 4.39Å; N31-L34 HydrophobicContact CB-CB 4.38Å; N31-L34 HydrophobicContact CB-CD1 4.06Å; N31-L34 HydrophobicContact CB-CG 4.17Å; N31-L34 WeakPolarHBondContact O-CA 3.44Å; N31-L34 WeakPolarHBondContact O-CB 3.34Å; N31-L34 PolarHBondContact O-N 3.41Å; S32-L34 PolarHBondContact O-N 2.96Å; L34-N36 PolarHBondContact O-N 3.22Å; L34-N39 WeakPolarHBondContact O-CB 3.26Å; L34-N39 PolarHBondContact O-ND2 3.19Å; L34-E291 HydrophobicContact CD2-CB 3.63Å; L34-E291 HydrophobicContact CG-CB 4.4Å; L34-F292 HydrophobicContact CD1-CD1 3.93Å; L34-F292 HydrophobicContact CD1-CE1 4Å; L34-F292 HydrophobicContact CD1-CG 4.27Å; L34-F292 HydrophobicContact CD1-CZ 4.39Å; L34-F292 HydrophobicContact CD2-CD2 3.94Å; L34-F292 HydrophobicContact CD2-CE2 3.95Å; L34-F292 HydrophobicContact CD2-CG 4.3Å; L34-F292 HydrophobicContact CD2-CZ 4.31Å; L34-T295 HydrophobicContact CD1-CG2 4.48Å
35Q93.5Very high95.1Very high92 Ų9246.5 Ų46.543%0.4323%0.232SC..  trans-85.263.5-178-65.5177.2-1.700111.7V28 W29 S32V28-Q35 HydrophobicContact CG1-CG 4.48Å; V28-Q35 VanDerWaalsContact O-CG 3.23Å; V28-Q35 WeakPolarHBondContact O-CG 3.35Å; V28-Q35 PolarHBondContact O-NE2 2.98Å; W29-Q35 PolarHBondContact O-NE2 3.12Å; W29-Q35 VanDerWaalsContact O-NE2 3.07Å; S32-Q35 PolarHBondContact O-N 3.43Å; S32-Q35 VanDerWaalsContact O-N 3.09Å
36N91.8Very high95.1Very high65 Ų6545 Ų4535%0.34822%0.222SC..SBendtrans-113.3167.8174.162.257.9000111.3L34 T38 N39 Y40L34-N36 PolarHBondContact O-N 3.22Å; N36-T38 PolarHBondContact O-N 3.17Å; N36-T38 WeakPolarHBondContact OD1-CB 3.42Å; N36-T38 PolarHBondContact OD1-N 2.98Å; N36-N39 PolarHBondContact ND2-ND2 3.39Å; N36-N39 VanDerWaalsContact ND2-ND2 3.17Å; N36-N39 PolarHBondContact O-N 3.29Å; N36-N39 VanDerWaalsContact O-N 3.12Å; N36-N39 WeakPolarHBondContact OD1-CB 3.34Å; N36-N39 PolarHBondContact OD1-N 2.6Å; N36-N39 PolarHBondContact OD1-ND2 2.85Å; N36-Y40 PolarHBondContact O-N 3.03Å
37V92.9Very high95.2Very high17 Ų1742.9 Ų42.910%0.10322%0.223CC..Hα-helixtrans-61-42-174.3176.20000112.5N39 Y40 F41 V113 A118V37-N39 PolarHBondContact O-N 2.86Å; V37-Y40 WeakPolarHBondContact O-CB 3.23Å; V37-Y40 PolarHBondContact O-N 3.37Å; V37-Y40 VanDerWaalsContact O-N 3.1Å; V37-F41 HydrophobicContact CG1-CE2 3.9Å; V37-F41 WeakPolarHBondContact O-CD2 3.32Å; V37-V113 HydrophobicContact CB-CG1 3.88Å; V37-V113 HydrophobicContact CG1-CG1 3.39Å; V37-V113 HydrophobicContact CG2-CG1 4.13Å; V37-A118 HydrophobicContact CG1-CB 3.51Å
38T92.4Very high95.3Very high13 Ų1342.9 Ų42.98%0.0822%0.223CC..Hα-helixtrans-55.2-43.6176-42.90000111.2N36 Y40 F41 V42 I95 D98 R99N36-T38 PolarHBondContact O-N 3.17Å; N36-T38 WeakPolarHBondContact OD1-CB 3.42Å; N36-T38 PolarHBondContact OD1-N 2.98Å; T38-Y40 VanDerWaalsContact C-N 3.29Å; T38-Y40 PolarHBondContact O-N 3.07Å; T38-F41 PolarHBondContact O-N 2.7Å; T38-F41 VanDerWaalsContact O-N 3.17Å; T38-V42 PolarHBondContact O-N 3.14Å; T38-V42 VanDerWaalsContact O-N 3.14Å; T38-I95 HydrophobicContact CG2-CG2 4.28Å; T38-D98 WeakPolarHBondContact CB-OD2 3.32Å; T38-D98 PolarHBondContact OG1-OD2 3.34Å; T38-R99 PolarHBondContact OG1-NH2 2.9Å
39N94.7Very high95.3Very high13 Ų1342.5 Ų42.57%0.0722%0.221CC..Hα-helixtrans-73.9-17.2-177.5-72.9-19000113.5V28 L34 N36 V37 V42 V43V28-N39 HydrophobicContact CG1-CB 4.41Å; V28-N39 HydrophobicContact CG2-CB 4.35Å; L34-N39 WeakPolarHBondContact O-CB 3.26Å; L34-N39 PolarHBondContact O-ND2 3.19Å; N36-N39 PolarHBondContact ND2-ND2 3.39Å; N36-N39 VanDerWaalsContact ND2-ND2 3.17Å; N36-N39 PolarHBondContact O-N 3.29Å; N36-N39 VanDerWaalsContact O-N 3.12Å; N36-N39 WeakPolarHBondContact OD1-CB 3.34Å; N36-N39 PolarHBondContact OD1-N 2.6Å; N36-N39 PolarHBondContact OD1-ND2 2.85Å; V37-N39 PolarHBondContact O-N 2.86Å; N39-V42 PolarHBondContact O-N 2.91Å; N39-V43 VanDerWaalsContact O-CG2 3.32Å; N39-V43 WeakPolarHBondContact O-CG2 3.4Å; N39-V43 PolarHBondContact O-N 3.34Å
40Y96.8Very high95.4Very high68 Ų6835.2 Ų35.227%0.26720%0.195SC..Hα-helixtrans-66-39.4167.5-64.6-22.6000111.8N36 V37 T38 V43 S44 A118N36-Y40 PolarHBondContact O-N 3.03Å; V37-Y40 WeakPolarHBondContact O-CB 3.23Å; V37-Y40 PolarHBondContact O-N 3.37Å; V37-Y40 VanDerWaalsContact O-N 3.1Å; T38-Y40 VanDerWaalsContact C-N 3.29Å; T38-Y40 PolarHBondContact O-N 3.07Å; Y40-V43 PolarHBondContact O-N 3.15Å; Y40-S44 PolarHBondContact O-N 3.39Å; Y40-A118 HydrophobicContact CD2-CB 4.35Å
41F96.6Very high95.6Very high11 Ų1132.3 Ų32.35%0.04818%0.183CC..Hα-helixtrans-69.5-35.1172.7-61.2-69.1000112V37 T38 V43 S44 L45 A94 I95 A118 I121 I122V37-F41 HydrophobicContact CG1-CE2 3.9Å; V37-F41 WeakPolarHBondContact O-CD2 3.32Å; T38-F41 PolarHBondContact O-N 2.7Å; T38-F41 VanDerWaalsContact O-N 3.17Å; F41-V43 VanDerWaalsContact C-N 3.33Å; F41-V43 PolarHBondContact O-N 3.05Å; F41-S44 WeakPolarHBondContact O-CB 3.43Å; F41-S44 PolarHBondContact O-N 2.98Å; F41-L45 WeakPolarHBondContact O-CB 3.37Å; F41-L45 PolarHBondContact O-N 2.94Å; F41-A94 HydrophobicContact CD1-CB 3.58Å; F41-A94 HydrophobicContact CD2-CB 4.33Å; F41-A94 HydrophobicContact CE1-CB 3.54Å; F41-A94 HydrophobicContact CE2-CB 4.29Å; F41-A94 HydrophobicContact CG-CB 3.99Å; F41-A94 HydrophobicContact CZ-CB 3.92Å; F41-I95 HydrophobicContact CB-CD1 4.08Å; F41-I95 HydrophobicContact CB-CG1 3.58Å; F41-I95 HydrophobicContact CG-CG1 4.45Å; F41-A118 HydrophobicContact CE2-CB 4.15Å; F41-A118 HydrophobicContact CZ-CB 3.95Å; F41-I121 HydrophobicContact CE1-CB 4.36Å; F41-I121 HydrophobicContact CE1-CG2 3.95Å; F41-I121 HydrophobicContact CZ-CB 4.5Å; F41-I121 HydrophobicContact CZ-CG2 4.29Å; F41-I122 HydrophobicContact CD1-CD1 3.99Å; F41-I122 HydrophobicContact CD1-CG1 3.61Å; F41-I122 HydrophobicContact CE1-CD1 4.21Å; F41-I122 HydrophobicContact CE1-CG1 3.65Å
42V95.8Very high95.8Very high3 Ų331.1 Ų31.12%0.01818%0.177CC..Hα-helixtrans-61.8-40.6172.1174.20000111.4V24 T38 N39 L45 A46 I95 Y285 F292V24-V42 HydrophobicContact CG1-CG1 3.85Å; T38-V42 PolarHBondContact O-N 3.14Å; T38-V42 VanDerWaalsContact O-N 3.14Å; N39-V42 PolarHBondContact O-N 2.91Å; V42-L45 PolarHBondContact O-N 3.13Å; V42-A46 WeakPolarHBondContact O-CB 3.31Å; V42-A46 PolarHBondContact O-N 3.47Å; V42-I95 HydrophobicContact CG2-CD1 4.03Å; V42-Y285 HydrophobicContact CG1-CD2 4.43Å; V42-Y285 HydrophobicContact CG1-CE1 4.38Å; V42-Y285 HydrophobicContact CG1-CE2 3.66Å; V42-F292 HydrophobicContact CG1-CZ 4.39Å
43V97.8Very high96.1Very high46 Ų4627.2 Ų27.228%0.27915%0.15SC..Hα-helixtrans-66.4-40174.5169.90000111.3V28 N39 Y40 F41 L45 A46 A47V28-V43 HydrophobicContact CB-CG2 3.84Å; V28-V43 HydrophobicContact CG1-CG2 3.85Å; V28-V43 HydrophobicContact CG2-CG2 3.88Å; N39-V43 VanDerWaalsContact O-CG2 3.32Å; N39-V43 WeakPolarHBondContact O-CG2 3.4Å; N39-V43 PolarHBondContact O-N 3.34Å; Y40-V43 PolarHBondContact O-N 3.15Å; F41-V43 VanDerWaalsContact C-N 3.33Å; F41-V43 PolarHBondContact O-N 3.05Å; V43-L45 VanDerWaalsContact C-N 3.34Å; V43-L45 PolarHBondContact O-N 3.41Å; V43-A46 PolarHBondContact O-N 2.91Å; V43-A47 WeakPolarHBondContact O-CB 3.33Å; V43-A47 PolarHBondContact O-N 2.96Å
44S98.1Very high96.4Very high7 Ų725 Ų255%0.04914%0.141CC..Hα-helixtrans-60.6-43.2173.9-174.20000112Y40 F41 A47 A48 S91 W126Y40-S44 PolarHBondContact O-N 3.39Å; F41-S44 WeakPolarHBondContact O-CB 3.43Å; F41-S44 PolarHBondContact O-N 2.98Å; S44-A47 WeakPolarHBondContact O-CB 3.35Å; S44-A47 PolarHBondContact O-N 3.33Å; S44-A48 PolarHBondContact O-N 3.48Å; S44-A48 VanDerWaalsContact O-N 3.14Å; S44-S91 PolarHBondContact OG-OG 2.93Å; S44-W126 PolarHBondContact OG-NE1 2.96Å; S44-W126 VanDerWaalsContact OG-NE1 3.1Å
45L96.9Very high96.6Very high1 Ų128 Ų281%0.00516%0.156CC..Hα-helixtrans-62-47.8174.718063.8000111.4F41 V42 V43 A47 A48 D49 S88 L92F41-L45 WeakPolarHBondContact O-CB 3.37Å; F41-L45 PolarHBondContact O-N 2.94Å; V42-L45 PolarHBondContact O-N 3.13Å; V43-L45 VanDerWaalsContact C-N 3.34Å; V43-L45 PolarHBondContact O-N 3.41Å; L45-A47 VanDerWaalsContact C-N 3.26Å; L45-A47 PolarHBondContact O-N 3.07Å; L45-A48 WeakPolarHBondContact O-CB 3.47Å; L45-A48 PolarHBondContact O-N 3.41Å; L45-A48 VanDerWaalsContact O-N 3.11Å; L45-D49 PolarHBondContact O-N 2.93Å; L45-S88 WeakPolarHBondContact CD1-OG 3.21Å; L45-L92 HydrophobicContact CD2-CD2 3.91Å; L45-L92 HydrophobicContact CD2-CG 4.48Å
46A97.9Very high96.8Very high2 Ų223.7 Ų23.72%0.01714%0.137CC..Hα-helixtrans-59.6-36.3176.300000112.1N21 V24 V42 V43 D49 I50N21-A46 HydrophobicContact CB-CB 3.99Å; V24-A46 HydrophobicContact CB-CB 4.23Å; V24-A46 HydrophobicContact CG1-CB 4.02Å; V42-A46 WeakPolarHBondContact O-CB 3.31Å; V42-A46 PolarHBondContact O-N 3.47Å; V43-A46 PolarHBondContact O-N 2.91Å; A46-D49 PolarHBondContact O-N 2.97Å; A46-I50 WeakPolarHBondContact O-CG1 3.37Å; A46-I50 PolarHBondContact O-N 3.02Å
47A98.5Very high97.1Very high41 Ų4120.6 Ų20.634%0.33912%0.12SC..Hα-helixtrans-65.2-40.2174.900000112.5V43 S44 L45 I50 A51 W126V43-A47 WeakPolarHBondContact O-CB 3.33Å; V43-A47 PolarHBondContact O-N 2.96Å; S44-A47 WeakPolarHBondContact O-CB 3.35Å; S44-A47 PolarHBondContact O-N 3.33Å; L45-A47 VanDerWaalsContact C-N 3.26Å; L45-A47 PolarHBondContact O-N 3.07Å; A47-I50 PolarHBondContact O-N 2.96Å; A47-A51 PolarHBondContact O-N 2.99Å; A47-W126 HydrophobicContact CB-CZ2 4.49Å
48A98.2Very high97.4Very high0 Ų022.1 Ų22.10%013%0.13CC..Hα-helixtrans-63.3-44.9173.100000111.3S44 L45 I50 A51 V52 W126S44-A48 PolarHBondContact O-N 3.48Å; S44-A48 VanDerWaalsContact O-N 3.14Å; L45-A48 WeakPolarHBondContact O-CB 3.47Å; L45-A48 PolarHBondContact O-N 3.41Å; L45-A48 VanDerWaalsContact O-N 3.11Å; A48-I50 PolarHBondContact O-N 3.38Å; A48-A51 CarbonylContact O-C 3.59Å; A48-A51 WeakPolarHBondContact O-CA 3.48Å; A48-A51 WeakPolarHBondContact O-CB 3.3Å; A48-A51 PolarHBondContact O-N 3.01Å; A48-A51 VanDerWaalsContact O-N 3.11Å; A48-V52 WeakPolarHBondContact O-CG2 3.47Å; A48-V52 PolarHBondContact O-N 3.02Å; A48-W126 HydrophobicContact CB-CH2 4.11Å; A48-W126 HydrophobicContact CB-CZ2 4.24Å
49D98.1Very high97.6Very high1 Ų123.7 Ų23.71%0.00514%0.136CC..Hα-helixtrans-65.9-34.3178.7-67.8-25.1000112.8N21 L45 A46 V52 G53 N281N21-D49 HydrophobicContact CB-CB 4.44Å; N21-D49 VanDerWaalsContact ND2-CB 3.34Å; N21-D49 WeakPolarHBondContact ND2-CB 3.39Å; L45-D49 PolarHBondContact O-N 2.93Å; A46-D49 PolarHBondContact O-N 2.97Å; D49-V52 WeakPolarHBondContact O-CB 3.5Å; D49-V52 PolarHBondContact O-N 3.37Å; D49-G53 PolarHBondContact O-N 3.33Å; D49-N281 PolarHBondContact OD2-ND2 3.39Å
50I98.7Very high97.7Very high36 Ų3624.1 Ų24.119%0.18514%0.141CC..Hα-helixtrans-62.8-46.5169.9-69.1163.4000109.8N21 V22 A46 A47 A48 V52 G53 V54N21-I50 HydrophobicContact CB-CD1 4.09Å; N21-I50 HydrophobicContact CB-CG1 3.55Å; V22-I50 HydrophobicContact CG2-CD1 3.83Å; V22-I50 HydrophobicContact CG2-CG1 4.26Å; A46-I50 WeakPolarHBondContact O-CG1 3.37Å; A46-I50 PolarHBondContact O-N 3.02Å; A47-I50 PolarHBondContact O-N 2.96Å; A48-I50 PolarHBondContact O-N 3.38Å; I50-V52 PolarHBondContact O-N 2.84Å; I50-G53 PolarHBondContact O-N 3.46Å; I50-G53 VanDerWaalsContact O-N 3.09Å; I50-V54 HydrophobicContact CG2-CG2 4.02Å; I50-V54 WeakPolarHBondContact O-CG2 3.39Å; I50-V54 PolarHBondContact O-N 2.97Å
51A98.4Very high97.7Very high19 Ų1922.1 Ų22.116%0.15714%0.135CC..Hα-helixtrans-63.4-2817800000112.3A47 A48 L55 A56 L84A47-A51 PolarHBondContact O-N 2.99Å; A48-A51 CarbonylContact O-C 3.59Å; A48-A51 WeakPolarHBondContact O-CA 3.48Å; A48-A51 WeakPolarHBondContact O-CB 3.3Å; A48-A51 PolarHBondContact O-N 3.01Å; A48-A51 VanDerWaalsContact O-N 3.11Å; A51-L55 WeakPolarHBondContact O-CB 3.29Å; A51-L55 PolarHBondContact O-N 3.29Å; A51-A56 PolarHBondContact O-N 3.37Å; A51-L84 VanDerWaalsContact C-CD1 3.49Å; A51-L84 HydrophobicContact CB-CD1 3.79Å; A51-L84 HydrophobicContact CB-CD2 3.67Å; A51-L84 HydrophobicContact CB-CG 4.4Å
52V98.4Very high97.6Very high7 Ų724.2 Ų24.24%0.04215%0.149CC..Iπ-helixtrans-61.6-49.1171.2172.30000110.1A48 D49 I50 A56 I57 L84 S278A48-V52 WeakPolarHBondContact O-CG2 3.47Å; A48-V52 PolarHBondContact O-N 3.02Å; D49-V52 WeakPolarHBondContact O-CB 3.5Å; D49-V52 PolarHBondContact O-N 3.37Å; I50-V52 PolarHBondContact O-N 2.84Å; V52-A56 HydrophobicContact CB-CB 4.42Å; V52-A56 HydrophobicContact CG1-CB 4.29Å; V52-A56 PolarHBondContact O-N 2.78Å; V52-A56 VanDerWaalsContact O-N 3.15Å; V52-I57 HydrophobicContact CG1-CD1 4.19Å; V52-I57 HydrophobicContact CG1-CG1 4.08Å; V52-I57 PolarHBondContact O-N 3.42Å; V52-L84 HydrophobicContact CB-CD1 4.33Å; V52-L84 HydrophobicContact CG2-CB 4.12Å; V52-L84 HydrophobicContact CG2-CD1 3.64Å; V52-S278 WeakPolarHBondContact CG1-OG 3.45Å
53G97.9Very high97.5Very high3 Ų325 Ų253%0.03115%0.153CC..Iπ-helixtrans-66.8-39.4178.400000114.1D49 I50D49-G53 PolarHBondContact O-N 3.33Å; I50-G53 PolarHBondContact O-N 3.46Å; I50-G53 VanDerWaalsContact O-N 3.09Å
54V98.4Very high97.3Very high76 Ų7624.4 Ų24.446%0.46115%0.151SC..Iπ-helixtrans-79.2-34.9-176.1177.20000112.7I18 I50 P58I18-V54 HydrophobicContact CD1-CG2 3.73Å; I18-V54 HydrophobicContact CG1-CG2 3.9Å; I50-V54 HydrophobicContact CG2-CG2 4.02Å; I50-V54 WeakPolarHBondContact O-CG2 3.39Å; I50-V54 PolarHBondContact O-N 2.97Å; V54-P58 WeakPolarHBondContact O-CG 3.32Å
55L97.8Very high97Very high67 Ų6728.2 Ų28.235%0.35117%0.174SC..Iπ-helixtrans-124.3-55.1-170.1-61.3174.4000112.7A51 I57 P58 F59 F80A51-L55 WeakPolarHBondContact O-CB 3.29Å; A51-L55 PolarHBondContact O-N 3.29Å; L55-I57 PolarHBondContact O-N 3.3Å; L55-P58 WeakPolarHBondContact O-CD 3.4Å; L55-F59 HydrophobicContact CB-CE2 4.17Å; L55-F59 HydrophobicContact CD2-CZ 4.48Å; L55-F59 WeakPolarHBondContact O-CB 3.48Å; L55-F59 WeakPolarHBondContact O-CD2 3.47Å; L55-F59 WeakPolarHBondContact O-CG 3.4Å; L55-F59 PolarHBondContact O-N 3.46Å; L55-F80 HydrophobicContact CB-CD1 4.07Å; L55-F80 HydrophobicContact CB-CE1 3.6Å; L55-F80 HydrophobicContact CB-CZ 4.48Å; L55-F80 HydrophobicContact CD1-CE1 3.51Å; L55-F80 HydrophobicContact CD1-CZ 3.54Å; L55-F80 HydrophobicContact CG-CE1 4.2Å
56A97.6Very high96.7Very high2 Ų228.3 Ų28.32%0.01718%0.175CC..Iπ-helixtrans-66.1-39.9-170.500000113.3A51 V52 F59 A60 V81 L84A51-A56 PolarHBondContact O-N 3.37Å; V52-A56 HydrophobicContact CB-CB 4.42Å; V52-A56 HydrophobicContact CG1-CB 4.29Å; V52-A56 PolarHBondContact O-N 2.78Å; V52-A56 VanDerWaalsContact O-N 3.15Å; A56-F59 WeakPolarHBondContact O-CB 3.36Å; A56-F59 PolarHBondContact O-N 3.26Å; A56-A60 WeakPolarHBondContact O-CB 3.47Å; A56-A60 PolarHBondContact O-N 3.12Å; A56-V81 HydrophobicContact CB-CB 4.04Å; A56-V81 HydrophobicContact CB-CG2 3.99Å; A56-L84 HydrophobicContact CB-CD1 3.95Å
57I97.8Very high96.4Very high0 Ų031.5 Ų31.50%019%0.189CC..Hα-helixtrans-65.9-49.9177-71.1174.9000111.3E10 I13 A14 V52 L55 F59 A60 I61 H275E10-I57 HydrophobicContact CB-CG2 3.8Å; I13-I57 HydrophobicContact CB-CD1 4.29Å; I13-I57 HydrophobicContact CG2-CD1 3.79Å; A14-I57 HydrophobicContact CB-CB 4.25Å; A14-I57 HydrophobicContact CB-CD1 3.77Å; A14-I57 HydrophobicContact CB-CG2 4.04Å; V52-I57 HydrophobicContact CG1-CD1 4.19Å; V52-I57 HydrophobicContact CG1-CG1 4.08Å; V52-I57 PolarHBondContact O-N 3.42Å; L55-I57 PolarHBondContact O-N 3.3Å; I57-F59 PolarHBondContact O-N 3.32Å; I57-A60 PolarHBondContact O-N 3.04Å; I57-A60 VanDerWaalsContact O-N 3.15Å; I57-I61 HydrophobicContact CG2-CD1 3.93Å; I57-I61 WeakPolarHBondContact O-CG1 3.24Å; I57-I61 PolarHBondContact O-N 3.1Å; I57-H275 HydrophobicContact CD1-CB 4.19Å; I57-H275 HydrophobicContact CG1-CB 4.32Å
58P97.8Very high96.1Very high49 Ų4931.6 Ų31.632%0.31819%0.186SC..Hα-helixtrans-54.1-40171-3137.2000113.7V54 L55 I61 T62V54-P58 WeakPolarHBondContact O-CG 3.32Å; L55-P58 WeakPolarHBondContact O-CD 3.4Å; P58-I61 PolarHBondContact O-N 2.93Å; P58-T62 WeakPolarHBondContact O-CB 3.39Å; P58-T62 PolarHBondContact O-N 3.44Å; P58-T62 PolarHBondContact O-OG1 3.1Å
59F97.8Very high95.8Very high45 Ų4532.1 Ų32.120%0.19719%0.191CC..Hα-helixtrans-64.7-43175.4-71.6-11.1000112.7L55 A56 I57 T62 I63 F76 I77 F80L55-F59 HydrophobicContact CB-CE2 4.17Å; L55-F59 HydrophobicContact CD2-CZ 4.48Å; L55-F59 WeakPolarHBondContact O-CB 3.48Å; L55-F59 WeakPolarHBondContact O-CD2 3.47Å; L55-F59 WeakPolarHBondContact O-CG 3.4Å; L55-F59 PolarHBondContact O-N 3.46Å; A56-F59 WeakPolarHBondContact O-CB 3.36Å; A56-F59 PolarHBondContact O-N 3.26Å; I57-F59 PolarHBondContact O-N 3.32Å; F59-T62 PolarHBondContact O-N 3.38Å; F59-I63 WeakPolarHBondContact O-CG1 3.49Å; F59-I63 PolarHBondContact O-N 3.41Å; F59-F76 HydrophobicContact CE2-CE1 4.25Å; F59-F76 HydrophobicContact CZ-CE1 4.35Å; F59-I77 HydrophobicContact CB-CG2 3.47Å; F59-I77 VanDerWaalsContact CB-CG2 3.47Å; F59-I77 HydrophobicContact CD1-CG1 4.49Å; F59-I77 HydrophobicContact CD1-CG2 3.92Å; F59-I77 HydrophobicContact CD2-CG2 4.32Å; F59-I77 HydrophobicContact CG-CB 4.44Å; F59-I77 HydrophobicContact CG-CG2 3.66Å; F59-F80 HydrophobicContact CD2-CB 4Å; F59-F80 HydrophobicContact CD2-CD1 4.03Å; F59-F80 HydrophobicContact CD2-CG 4.27Å; F59-F80 HydrophobicContact CE2-CB 4.04Å; F59-F80 AromaticContact CE2-CD1 3.86Å; F59-F80 HydrophobicContact CE2-CD1 3.86Å; F59-F80 AromaticContact CE2-CG 3.98Å; F59-F80 HydrophobicContact CE2-CG 3.98Å
60A96.1Very high95.6Very high22 Ų2235 Ų3518%0.18221%0.214CC..Hα-helixtrans-62.5-43.9175.700000112A56 I57 T62 I63 S64A56-A60 WeakPolarHBondContact O-CB 3.47Å; A56-A60 PolarHBondContact O-N 3.12Å; I57-A60 PolarHBondContact O-N 3.04Å; I57-A60 VanDerWaalsContact O-N 3.15Å; A60-T62 VanDerWaalsContact C-N 3.31Å; A60-T62 PolarHBondContact O-N 3.16Å; A60-I63 PolarHBondContact O-N 3.1Å; A60-S64 PolarHBondContact O-N 2.87Å
61I96.2Very high95.2Very high26 Ų2633.9 Ų33.913%0.13321%0.21CC..Hα-helixtrans-59.1-45.8173.7-67.4164.5000110I7 E10 L11 I57 P58 S64I7-I61 HydrophobicContact CD1-CG2 4.34Å; I7-I61 HydrophobicContact CG1-CG2 4.03Å; I7-I61 HydrophobicContact CG2-CD1 4.33Å; I7-I61 HydrophobicContact CG2-CG2 4.42Å; E10-I61 HydrophobicContact CB-CD1 4Å; E10-I61 HydrophobicContact CB-CG1 4.17Å; L11-I61 HydrophobicContact CD2-CD1 4.02Å; L11-I61 HydrophobicContact CG-CD1 4.19Å; I57-I61 HydrophobicContact CG2-CD1 3.93Å; I57-I61 WeakPolarHBondContact O-CG1 3.24Å; I57-I61 PolarHBondContact O-N 3.1Å; P58-I61 PolarHBondContact O-N 2.93Å; I61-S64 PolarHBondContact O-N 3.45Å; I61-S64 PolarHBondContact O-OG 3.39Å
62T95.6Very high95Very high56 Ų5638 Ų3834%0.34423%0.225SC..Hα-helixtrans-62.8-46.1-179.3-54.80000111.4P58 F59 A60 S64 T65 F67P58-T62 WeakPolarHBondContact O-CB 3.39Å; P58-T62 PolarHBondContact O-N 3.44Å; P58-T62 PolarHBondContact O-OG1 3.1Å; F59-T62 PolarHBondContact O-N 3.38Å; A60-T62 VanDerWaalsContact C-N 3.31Å; A60-T62 PolarHBondContact O-N 3.16Å; T62-S64 VanDerWaalsContact C-N 3.3Å; T62-S64 PolarHBondContact O-N 3.02Å; T62-T65 PolarHBondContact O-N 2.69Å; T62-T65 PolarHBondContact O-OG1 3.06Å; T62-F67 HydrophobicContact CG2-CD1 3.81Å; T62-F67 HydrophobicContact CG2-CE1 3.48Å; T62-F67 VanDerWaalsContact CG2-CE1 3.48Å; T62-F67 HydrophobicContact CG2-CZ 3.96Å
63I94.5Very high94.8Very high18 Ų1839.4 Ų39.49%0.09224%0.241CC..Hα-helixtrans-63-34.8176.9-72.6173.6000112F59 A60 T65 G66 I77 A78 F165F59-I63 WeakPolarHBondContact O-CG1 3.49Å; F59-I63 PolarHBondContact O-N 3.41Å; A60-I63 PolarHBondContact O-N 3.1Å; I63-T65 PolarHBondContact O-N 3.14Å; I63-G66 PolarHBondContact O-N 3.49Å; I63-I77 HydrophobicContact CD1-CB 4.2Å; I63-I77 HydrophobicContact CD1-CG2 3.58Å; I63-I77 HydrophobicContact CG1-CG2 3.7Å; I63-A78 HydrophobicContact CD1-CB 3.72Å; I63-F165 HydrophobicContact CG2-CB 4.34Å
64S92.4Very high94.7Very high35 Ų3539.3 Ų39.325%0.24524%0.24CC..Hα-helixtrans-61.2-1817978.20000113.9A60 I61 T62A60-S64 PolarHBondContact O-N 2.87Å; I61-S64 PolarHBondContact O-N 3.45Å; I61-S64 PolarHBondContact O-OG 3.39Å; T62-S64 VanDerWaalsContact C-N 3.3Å; T62-S64 PolarHBondContact O-N 3.02Å
65T91.7Very high94.6Very high87 Ų8735.7 Ų35.753%0.53422%0.218SC..THydrogen-bonded Turntrans-82-18.8176.371.30000113.8T62 I63 F67T62-T65 PolarHBondContact O-N 2.69Å; T62-T65 PolarHBondContact O-OG1 3.06Å; I63-T65 PolarHBondContact O-N 3.14Å; T65-F67 VanDerWaalsContact C-N 3.27Å; T65-F67 PolarHBondContact O-N 2.9Å; T65-F67 PolarHBondContact OG1-N 3.31Å
66G90.5Very high94.5Very high2 Ų236.1 Ų36.12%0.02122%0.217CC..THydrogen-bonded Turntrans64.128.2-174.900000114.2I63 Q154I63-G66 PolarHBondContact O-N 3.49Å; G66-Q154 PolarHBondContact O-NE2 3.38Å
67F92.1Very high94.5Very high70 Ų7037.6 Ų37.631%0.30722%0.224SC..  trans-56.8151.6-178.979.1-70.5000113T62 T65 A69 I77 C163T62-F67 HydrophobicContact CG2-CD1 3.81Å; T62-F67 HydrophobicContact CG2-CE1 3.48Å; T62-F67 VanDerWaalsContact CG2-CE1 3.48Å; T62-F67 HydrophobicContact CG2-CZ 3.96Å; T65-F67 VanDerWaalsContact C-N 3.27Å; T65-F67 PolarHBondContact O-N 2.9Å; T65-F67 PolarHBondContact OG1-N 3.31Å; F67-A69 HydrophobicContact CD2-CB 4.22Å; F67-A69 HydrophobicContact CE2-CB 3.59Å; F67-A69 HydrophobicContact CZ-CB 3.79Å; F67-A69 PolarHBondContact O-N 3.33Å; F67-I77 HydrophobicContact CZ-CD1 3.99Å; F67-C163 HydrophobicContact CD1-CB 3.91Å; F67-C163 HydrophobicContact CE1-CB 3.69Å; F67-C163 HydrophobicContact CZ-CB 4.31Å; F67-C163 WeakPolarHBondContact O-CB 3.47Å; F67-C163 PolarHBondContact O-N 3.4Å
68C91.8Very high94.4Very high43 Ų4337.7 Ų37.729%0.29123%0.225SC..EExtended strand (participates in β ladder)trans-72.3123.7177.2-60.50000110.6C156C68-C156 HydrophobicContact CB-CB 3.8Å; C68-C156 WeakPolarHBondContact CB-SG 3.38Å; C68-C156 WeakPolarHBondContact SG-CA 3.3Å; C68-C156 WeakPolarHBondContact SG-CB 3.22Å; C68-C156 CovalentContact SG-SG 2.05Å; C68-C156 PolarHBondContact SG-SG 3.25Å
69A92.9Very high94.4Very high11 Ų1135.3 Ų35.39%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-141159.2179.100000111.4F67 C74 Q160 V161 C163F67-A69 HydrophobicContact CD2-CB 4.22Å; F67-A69 HydrophobicContact CE2-CB 3.59Å; F67-A69 HydrophobicContact CZ-CB 3.79Å; F67-A69 PolarHBondContact O-N 3.33Å; A69-C74 HydrophobicContact CB-CB 4.24Å; A69-Q160 WeakPolarHBondContact O-CA 3.32Å; A69-V161 PolarHBondContact N-O 3.48Å; A69-V161 PolarHBondContact O-N 2.92Å; A69-C163 HydrophobicContact CB-CB 4.2Å
70A92.4Very high94.4Very high60 Ų6034.1 Ų34.150%0.49621%0.205SC..EExtended strand (participates in β ladder)trans-62.2137.6164.400000109.5H72 G73 C74A70-H72 PolarHBondContact O-N 2.89Å; A70-G73 WeakPolarHBondContact O-CA 3.49Å; A70-G73 PolarHBondContact O-N 3.37Å; A70-C74 PolarHBondContact O-N 3.49Å
71C91.3Very high94.5Very high14 Ų1434.3 Ų34.310%0.09520%0.204CC..Hα-helixtrans-57.3-44.9-169.6-166.70000113.5G73 C74 L75 C143 V161C71-G73 VanDerWaalsContact C-N 3.31Å; C71-G73 PolarHBondContact O-N 3.38Å; C71-C74 WeakPolarHBondContact O-CB 3.39Å; C71-C74 PolarHBondContact O-N 3.24Å; C71-L75 WeakPolarHBondContact O-CB 3.47Å; C71-L75 PolarHBondContact O-N 3.46Å; C71-C143 HydrophobicContact CB-CB 3.7Å; C71-C143 WeakPolarHBondContact CB-SG 3.44Å; C71-C143 WeakPolarHBondContact SG-CA 3.3Å; C71-C143 WeakPolarHBondContact SG-CB 3.49Å; C71-C143 CovalentContact SG-SG 2.02Å; C71-C143 PolarHBondContact SG-SG 2.84Å; C71-V161 HydrophobicContact CB-CG1 4.46Å; C71-V161 HydrophobicContact CB-CG2 4.02Å
72H93.6Very high94.5Very high105 Ų10533.4 Ų33.449%0.48620%0.199SC..Hα-helixtrans-66.9-30.5177.9-70.485.5000113.2A70 L75 F76A70-H72 PolarHBondContact O-N 2.89Å; H72-L75 PolarHBondContact O-N 2.91Å; H72-F76 PolarHBondContact O-N 2.89Å
73G94.7Very high94.7Very high37 Ų3730.8 Ų30.838%0.38118%0.183SC..Hα-helixtrans-67.7-45.1172.500000111.5A70 C71 L75 F76 I77A70-G73 WeakPolarHBondContact O-CA 3.49Å; A70-G73 PolarHBondContact O-N 3.37Å; C71-G73 VanDerWaalsContact C-N 3.31Å; C71-G73 PolarHBondContact O-N 3.38Å; G73-L75 VanDerWaalsContact C-N 3.31Å; G73-L75 PolarHBondContact O-N 3Å; G73-F76 PolarHBondContact O-N 3.28Å; G73-I77 WeakPolarHBondContact O-CG1 3.33Å; G73-I77 PolarHBondContact O-N 2.98Å
74C95.6Very high94.8Very high0 Ų030 Ų300%018%0.179CC..Hα-helixtrans-59.4-43.1173-177.50000111.8A69 A70 C71 F76 I77 A78 C163 V168A69-C74 HydrophobicContact CB-CB 4.24Å; A70-C74 PolarHBondContact O-N 3.49Å; C71-C74 WeakPolarHBondContact O-CB 3.39Å; C71-C74 PolarHBondContact O-N 3.24Å; C74-F76 PolarHBondContact O-N 3.49Å; C74-I77 PolarHBondContact O-N 2.86Å; C74-A78 WeakPolarHBondContact O-CB 3.35Å; C74-A78 PolarHBondContact O-N 3.4Å; C74-C163 WeakPolarHBondContact CA-SG 3.46Å; C74-C163 HydrophobicContact CB-CB 3.8Å; C74-C163 WeakPolarHBondContact CB-SG 3.5Å; C74-C163 WeakPolarHBondContact SG-CA 3.18Å; C74-C163 WeakPolarHBondContact SG-CB 3.3Å; C74-C163 CovalentContact SG-SG 2.03Å; C74-C163 PolarHBondContact SG-SG 2.9Å; C74-V168 HydrophobicContact CB-CG1 4.36Å
75L95.8Very high95Very high0 Ų028.5 Ų28.50%017%0.169CC..Hα-helixtrans-62.3-41.5-179.7-16169.9000112C71 H72 G73 A78 C79 P136 M137 N141 V168 V169C71-L75 WeakPolarHBondContact O-CB 3.47Å; C71-L75 PolarHBondContact O-N 3.46Å; H72-L75 PolarHBondContact O-N 2.91Å; G73-L75 VanDerWaalsContact C-N 3.31Å; G73-L75 PolarHBondContact O-N 3Å; L75-A78 PolarHBondContact O-N 3.17Å; L75-C79 WeakPolarHBondContact O-CB 3.31Å; L75-C79 PolarHBondContact O-N 3.4Å; L75-C79 PolarHBondContact O-SG 3.43Å; L75-P136 HydrophobicContact CD1-CB 3.95Å; L75-P136 VanDerWaalsContact CD2-C 3.48Å; L75-P136 HydrophobicContact CD2-CB 3.98Å; L75-P136 WeakPolarHBondContact CD2-O 3.34Å; L75-P136 HydrophobicContact CG-CB 4.09Å; L75-M137 HydrophobicContact CD2-CB 4.39Å; L75-M137 HydrophobicContact CD2-CG 3.94Å; L75-M137 HydrophobicContact CG-CG 4.22Å; L75-N141 HydrophobicContact CD1-CB 4.06Å; L75-N141 HydrophobicContact CD2-CB 3.65Å; L75-V168 HydrophobicContact CD1-CB 4.09Å; L75-V168 HydrophobicContact CD1-CG2 4.07Å; L75-V168 WeakPolarHBondContact CD1-O 3.38Å; L75-V169 HydrophobicContact CD1-CG2 4.04Å
76F97.4Very high95.3Very high77 Ų7724.5 Ų24.534%0.33814%0.144SC..Hα-helixtrans-59.5-48.5173.7176.2-97.9000111.7F59 H72 G73 C74 A78 C79 F80 L134 M137F59-F76 HydrophobicContact CE2-CE1 4.25Å; F59-F76 HydrophobicContact CZ-CE1 4.35Å; H72-F76 PolarHBondContact O-N 2.89Å; G73-F76 PolarHBondContact O-N 3.28Å; C74-F76 PolarHBondContact O-N 3.49Å; F76-A78 VanDerWaalsContact C-N 3.3Å; F76-A78 PolarHBondContact O-N 2.86Å; F76-C79 PolarHBondContact O-N 3.14Å; F76-F80 HydrophobicContact CE2-CD2 4.24Å; F76-F80 AromaticContact CZ-CD2 3.93Å; F76-F80 HydrophobicContact CZ-CD2 3.93Å; F76-F80 HydrophobicContact CZ-CE2 4.47Å; F76-F80 WeakPolarHBondContact O-CB 3.34Å; F76-F80 PolarHBondContact O-N 3.31Å; F76-L134 HydrophobicContact CD2-CD2 4.34Å; F76-M137 HydrophobicContact CB-CE 4.03Å; F76-M137 HydrophobicContact CB-SD 3.94Å; F76-M137 HydrophobicContact CD2-CE 4.47Å; F76-M137 HydrophobicContact CD2-SD 3.93Å; F76-M137 HydrophobicContact CG-SD 4.45Å
77I96.8Very high95.7Very high32 Ų3224.4 Ų24.416%0.16414%0.143CC..Hα-helixtrans-60.3-42.8178.8-62.9171.4000110.2F59 I63 F67 G73 C74F59-I77 HydrophobicContact CB-CG2 3.47Å; F59-I77 VanDerWaalsContact CB-CG2 3.47Å; F59-I77 HydrophobicContact CD1-CG1 4.49Å; F59-I77 HydrophobicContact CD1-CG2 3.92Å; F59-I77 HydrophobicContact CD2-CG2 4.32Å; F59-I77 HydrophobicContact CG-CB 4.44Å; F59-I77 HydrophobicContact CG-CG2 3.66Å; I63-I77 HydrophobicContact CD1-CB 4.2Å; I63-I77 HydrophobicContact CD1-CG2 3.58Å; I63-I77 HydrophobicContact CG1-CG2 3.7Å; F67-I77 HydrophobicContact CZ-CD1 3.99Å; G73-I77 WeakPolarHBondContact O-CG1 3.33Å; G73-I77 PolarHBondContact O-N 2.98Å; C74-I77 PolarHBondContact O-N 2.86Å
78A96.5Very high95.9Very high2 Ų221.2 Ų21.22%0.01713%0.129CC..Hα-helixtrans-68.9-39.4-179.400000112.7I63 C74 L75 F76 F165 V168 V169I63-A78 HydrophobicContact CD1-CB 3.72Å; C74-A78 WeakPolarHBondContact O-CB 3.35Å; C74-A78 PolarHBondContact O-N 3.4Å; L75-A78 PolarHBondContact O-N 3.17Å; F76-A78 VanDerWaalsContact C-N 3.3Å; F76-A78 PolarHBondContact O-N 2.86Å; A78-F165 HydrophobicContact CB-CD2 3.89Å; A78-F165 HydrophobicContact CB-CE2 4.32Å; A78-V168 HydrophobicContact CB-CG2 4.26Å; A78-V169 HydrophobicContact CB-CG2 3.92Å
79C97.7Very high96.1Very high0 Ų019.2 Ų19.20%012%0.115CC..Hα-helixtrans-89-18.5-173.8-69.30000113.8L75 F76 V81 L82 V83 G133 L134L75-C79 WeakPolarHBondContact O-CB 3.31Å; L75-C79 PolarHBondContact O-N 3.4Å; L75-C79 PolarHBondContact O-SG 3.43Å; F76-C79 PolarHBondContact O-N 3.14Å; C79-V81 PolarHBondContact O-N 2.92Å; C79-L82 HydrophobicContact CB-CD1 4.45Å; C79-L82 WeakPolarHBondContact O-CA 3.19Å; C79-L82 VanDerWaalsContact O-CB 3.23Å; C79-L82 WeakPolarHBondContact O-CB 3.43Å; C79-L82 PolarHBondContact O-N 2.86Å; C79-V83 PolarHBondContact O-N 3.28Å; C79-G133 WeakPolarHBondContact CB-O 3.35Å; C79-L134 HydrophobicContact CB-CD2 3.91Å
80F97.9Very high96.3Very high19 Ų1920.4 Ų20.48%0.08312%0.119CC..Hα-helixtrans-58.8-36.5-176.4-172.5-102.1000112.8L55 F59 F76 L82 V83 L84 F130L55-F80 HydrophobicContact CB-CD1 4.07Å; L55-F80 HydrophobicContact CB-CE1 3.6Å; L55-F80 HydrophobicContact CB-CZ 4.48Å; L55-F80 HydrophobicContact CD1-CE1 3.51Å; L55-F80 HydrophobicContact CD1-CZ 3.54Å; L55-F80 HydrophobicContact CG-CE1 4.2Å; F59-F80 HydrophobicContact CD2-CB 4Å; F59-F80 HydrophobicContact CD2-CD1 4.03Å; F59-F80 HydrophobicContact CD2-CG 4.27Å; F59-F80 HydrophobicContact CE2-CB 4.04Å; F59-F80 AromaticContact CE2-CD1 3.86Å; F59-F80 HydrophobicContact CE2-CD1 3.86Å; F59-F80 AromaticContact CE2-CG 3.98Å; F59-F80 HydrophobicContact CE2-CG 3.98Å; F76-F80 HydrophobicContact CE2-CD2 4.24Å; F76-F80 AromaticContact CZ-CD2 3.93Å; F76-F80 HydrophobicContact CZ-CD2 3.93Å; F76-F80 HydrophobicContact CZ-CE2 4.47Å; F76-F80 WeakPolarHBondContact O-CB 3.34Å; F76-F80 PolarHBondContact O-N 3.31Å; F80-L82 PolarHBondContact O-N 3.45Å; F80-V83 WeakPolarHBondContact O-CB 3.48Å; F80-V83 PolarHBondContact O-N 2.89Å; F80-L84 HydrophobicContact CD1-CD1 4.24Å; F80-L84 HydrophobicContact CD1-CG 4.42Å; F80-L84 HydrophobicContact CE1-CD1 3.84Å; F80-L84 HydrophobicContact CE1-CD2 4.16Å; F80-L84 HydrophobicContact CE1-CG 4.05Å; F80-L84 HydrophobicContact CZ-CD2 4.22Å; F80-L84 PolarHBondContact O-N 2.95Å; F80-F130 HydrophobicContact CE2-CE1 4.3Å
81V96.7Very high96.5Very high27 Ų2717.7 Ų17.716%0.16410%0.096CC..Hα-helixtrans-60.3-34.8174.468.80000112A56 C79 V83 L84 T85 W243A56-V81 HydrophobicContact CB-CB 4.04Å; A56-V81 HydrophobicContact CB-CG2 3.99Å; C79-V81 PolarHBondContact O-N 2.92Å; V81-V83 VanDerWaalsContact C-N 3.32Å; V81-V83 PolarHBondContact O-N 3.43Å; V81-L84 PolarHBondContact O-N 3.47Å; V81-T85 PolarHBondContact O-N 3.48Å; V81-T85 PolarHBondContact O-OG1 2.93Å; V81-W243 HydrophobicContact CG2-CH2 4.21Å
82L97.6Very high96.7Very high7 Ų717.3 Ų17.34%0.0379%0.093CC..Hα-helixtrans-66.3-34.3178.9-51.1179.9000112C79 F80 T85 Q86 Y173 M174C79-L82 HydrophobicContact CB-CD1 4.45Å; C79-L82 WeakPolarHBondContact O-CA 3.19Å; C79-L82 VanDerWaalsContact O-CB 3.23Å; C79-L82 WeakPolarHBondContact O-CB 3.43Å; C79-L82 PolarHBondContact O-N 2.86Å; F80-L82 PolarHBondContact O-N 3.45Å; L82-T85 PolarHBondContact O-N 2.9Å; L82-Q86 WeakPolarHBondContact O-CB 3.48Å; L82-Q86 PolarHBondContact O-N 3.19Å; L82-Y173 HydrophobicContact CD1-CE1 3.75Å; L82-M174 HydrophobicContact CD1-SD 3.94Å; L82-M174 HydrophobicContact CD2-CE 4.03Å; L82-M174 HydrophobicContact CD2-SD 4.35Å
83V98.4Very high96.8Very high0 Ų013.8 Ų13.80%08%0.077CC..Hα-helixtrans-60.9-46.9172.9177.50000110.2C79 F80 V81 Q86 S87 S129 F130 L134C79-V83 PolarHBondContact O-N 3.28Å; F80-V83 WeakPolarHBondContact O-CB 3.48Å; F80-V83 PolarHBondContact O-N 2.89Å; V81-V83 VanDerWaalsContact C-N 3.32Å; V81-V83 PolarHBondContact O-N 3.43Å; V83-Q86 PolarHBondContact O-N 3.36Å; V83-S87 PolarHBondContact O-N 3.47Å; V83-S129 WeakPolarHBondContact O-CB 3.42Å; V83-F130 HydrophobicContact CG1-CB 4.49Å; V83-F130 HydrophobicContact CG1-CD1 3.77Å; V83-F130 HydrophobicContact CG1-CD2 4.04Å; V83-F130 HydrophobicContact CG1-CE1 3.9Å; V83-F130 HydrophobicContact CG1-CE2 4.15Å; V83-F130 HydrophobicContact CG1-CG 3.84Å; V83-F130 HydrophobicContact CG1-CZ 4.08Å; V83-F130 HydrophobicContact CG2-CD1 4.15Å; V83-L134 HydrophobicContact CG2-CD2 3.9Å; V83-L134 HydrophobicContact CG2-CG 3.81Å
84L97.9Very high96.8Very high1 Ų112.7 Ų12.71%0.0057%0.065CC..Hα-helixtrans-65.8-44.6-179.8-58-175.9000111.3A51 V52 A56 F80 V81 Q86 S87 S88 W126A51-L84 VanDerWaalsContact C-CD1 3.49Å; A51-L84 HydrophobicContact CB-CD1 3.79Å; A51-L84 HydrophobicContact CB-CD2 3.67Å; A51-L84 HydrophobicContact CB-CG 4.4Å; V52-L84 HydrophobicContact CB-CD1 4.33Å; V52-L84 HydrophobicContact CG2-CB 4.12Å; V52-L84 HydrophobicContact CG2-CD1 3.64Å; A56-L84 HydrophobicContact CB-CD1 3.95Å; F80-L84 HydrophobicContact CD1-CD1 4.24Å; F80-L84 HydrophobicContact CD1-CG 4.42Å; F80-L84 HydrophobicContact CE1-CD1 3.84Å; F80-L84 HydrophobicContact CE1-CD2 4.16Å; F80-L84 HydrophobicContact CE1-CG 4.05Å; F80-L84 HydrophobicContact CZ-CD2 4.22Å; F80-L84 PolarHBondContact O-N 2.95Å; V81-L84 PolarHBondContact O-N 3.47Å; L84-Q86 VanDerWaalsContact C-N 3.29Å; L84-Q86 PolarHBondContact O-N 3.39Å; L84-S87 WeakPolarHBondContact O-CB 3.32Å; L84-S87 PolarHBondContact O-N 3.4Å; L84-S88 PolarHBondContact O-N 3.24Å; L84-S88 PolarHBondContact O-OG 3.39Å; L84-W126 HydrophobicContact CD2-CH2 4.23Å; L84-W126 HydrophobicContact CD2-CZ3 4.19Å
85T96.4Very high96.7Very high5 Ų512.9 Ų12.93%0.0317%0.066CC..Hα-helixtrans-56.9-44.6174.8-52.30000111.3V81 L82 S87 S88 I89 F239 W243V81-T85 PolarHBondContact O-N 3.48Å; V81-T85 PolarHBondContact O-OG1 2.93Å; L82-T85 PolarHBondContact O-N 2.9Å; T85-S87 PolarHBondContact O-N 2.88Å; T85-S88 PolarHBondContact O-N 2.93Å; T85-I89 HydrophobicContact CG2-CD1 4.12Å; T85-I89 WeakPolarHBondContact O-CG1 3.33Å; T85-I89 PolarHBondContact O-N 3.16Å; T85-F239 HydrophobicContact CG2-CZ 3.99Å; T85-W243 HydrophobicContact CG2-CD2 3.96Å; T85-W243 HydrophobicContact CG2-CE3 3.94Å; T85-W243 HydrophobicContact CG2-CH2 3.9Å; T85-W243 HydrophobicContact CG2-CZ2 3.86Å; T85-W243 HydrophobicContact CG2-CZ3 3.91Å; T85-W243 WeakPolarHBondContact OG1-CH2 3.45Å; T85-W243 VanDerWaalsContact OG1-CZ2 3.23Å; T85-W243 WeakPolarHBondContact OG1-CZ2 3.4Å; T85-W243 WeakPolarHBondContact OG1-CZ3 3.21Å
86Q97.8Very high96.5Very high3 Ų312.9 Ų12.91%0.0147%0.066CC..Hα-helixtrans-65.6-40.1178.9-169.658.252.900112.1L82 V83 L84 S88 I89 F90 S129 I132L82-Q86 WeakPolarHBondContact O-CB 3.48Å; L82-Q86 PolarHBondContact O-N 3.19Å; V83-Q86 PolarHBondContact O-N 3.36Å; L84-Q86 VanDerWaalsContact C-N 3.29Å; L84-Q86 PolarHBondContact O-N 3.39Å; Q86-S88 VanDerWaalsContact C-N 3.32Å; Q86-S88 PolarHBondContact O-N 3.2Å; Q86-I89 PolarHBondContact O-N 2.95Å; Q86-F90 HydrophobicContact CG-CD2 3.99Å; Q86-F90 HydrophobicContact CG-CE2 3.51Å; Q86-F90 HydrophobicContact CG-CZ 4.01Å; Q86-F90 VanDerWaalsContact NE2-CE1 3.32Å; Q86-F90 WeakPolarHBondContact O-CD2 3.3Å; Q86-F90 PolarHBondContact O-N 2.93Å; Q86-S129 VanDerWaalsContact C-OG 3.25Å; Q86-I132 HydrophobicContact CG-CB 4.2Å; Q86-I132 HydrophobicContact CG-CD1 3.99Å; Q86-I132 HydrophobicContact CG-CG2 4.09Å
87S98Very high96.3Very high0 Ų012.9 Ų12.90%07%0.069CC..Hα-helixtrans-61.2-41.8175-172.20000111.6V83 L84 T85 F90 S91 W126 S129V83-S87 PolarHBondContact O-N 3.47Å; L84-S87 WeakPolarHBondContact O-CB 3.32Å; L84-S87 PolarHBondContact O-N 3.4Å; T85-S87 PolarHBondContact O-N 2.88Å; S87-F90 PolarHBondContact O-N 3.27Å; S87-S91 WeakPolarHBondContact O-CB 3.47Å; S87-S91 PolarHBondContact O-N 3.46Å; S87-S91 PolarHBondContact O-OG 3.13Å; S87-W126 VanDerWaalsContact OG-CZ2 3.3Å; S87-W126 WeakPolarHBondContact OG-CZ2 3.34Å; S87-S129 WeakPolarHBondContact CA-OG 3.33Å; S87-S129 PolarHBondContact N-OG 3.37Å
88S96.6Very high96Very high3 Ų311.6 Ų11.62%0.0216%0.062CC..Hα-helixtrans-63.3-43.6175-63.10000112L45 L84 T85 Q86 F90 S91 L92L45-S88 WeakPolarHBondContact CD1-OG 3.21Å; L84-S88 PolarHBondContact O-N 3.24Å; L84-S88 PolarHBondContact O-OG 3.39Å; T85-S88 PolarHBondContact O-N 2.93Å; Q86-S88 VanDerWaalsContact C-N 3.32Å; Q86-S88 PolarHBondContact O-N 3.2Å; S88-F90 PolarHBondContact O-N 2.92Å; S88-S91 PolarHBondContact O-N 3.26Å; S88-L92 WeakPolarHBondContact O-CB 3.31Å; S88-L92 VanDerWaalsContact O-CG 3.29Å; S88-L92 WeakPolarHBondContact O-CG 3.38Å; S88-L92 PolarHBondContact O-N 3.48Å
89I96.5Very high95.6Very high0 Ų013 Ų130%07%0.067CC..Hα-helixtrans-60.6-47.9177-71.1164000111.3T85 Q86 S91 L92 L93 V183 P186 F239T85-I89 HydrophobicContact CG2-CD1 4.12Å; T85-I89 WeakPolarHBondContact O-CG1 3.33Å; T85-I89 PolarHBondContact O-N 3.16Å; Q86-I89 PolarHBondContact O-N 2.95Å; I89-S91 VanDerWaalsContact C-N 3.32Å; I89-S91 PolarHBondContact O-N 2.9Å; I89-L92 PolarHBondContact O-N 3.49Å; I89-L93 WeakPolarHBondContact O-CB 3.39Å; I89-L93 PolarHBondContact O-N 2.94Å; I89-V183 HydrophobicContact CD1-CB 4.23Å; I89-V183 HydrophobicContact CD1-CG1 4.35Å; I89-V183 HydrophobicContact CD1-CG2 3.68Å; I89-P186 HydrophobicContact CG2-CB 3.48Å; I89-P186 VanDerWaalsContact CG2-CB 3.48Å; I89-P186 HydrophobicContact CG2-CG 3.98Å; I89-F239 HydrophobicContact CD1-CE1 4.14Å; I89-F239 HydrophobicContact CD1-CZ 3.9Å; I89-F239 HydrophobicContact CG1-CE1 3.7Å; I89-F239 HydrophobicContact CG1-CE2 4.32Å; I89-F239 HydrophobicContact CG1-CZ 3.42Å; I89-F239 VanDerWaalsContact CG1-CZ 3.42Å
90F97.5Very high95.2Very high37 Ų3716.5 Ų16.516%0.1628%0.081CC..Hα-helixtrans-63.7-39.1178-70.5-39.4000112.3Q86 S87 S88 L93 A94 C125 L128 S129 I132Q86-F90 HydrophobicContact CG-CD2 3.99Å; Q86-F90 HydrophobicContact CG-CE2 3.51Å; Q86-F90 HydrophobicContact CG-CZ 4.01Å; Q86-F90 VanDerWaalsContact NE2-CE1 3.32Å; Q86-F90 WeakPolarHBondContact O-CD2 3.3Å; Q86-F90 PolarHBondContact O-N 2.93Å; S87-F90 PolarHBondContact O-N 3.27Å; S88-F90 PolarHBondContact O-N 2.92Å; F90-L93 PolarHBondContact O-N 2.98Å; F90-A94 VanDerWaalsContact O-CB 3.3Å; F90-A94 WeakPolarHBondContact O-CB 3.18Å; F90-A94 PolarHBondContact O-N 3.4Å; F90-C125 HydrophobicContact CB-CB 3.77Å; F90-C125 HydrophobicContact CD2-CB 4.01Å; F90-C125 WeakPolarHBondContact CD2-O 3.36Å; F90-C125 HydrophobicContact CG-CB 4.17Å; F90-L128 HydrophobicContact CE2-CB 3.71Å; F90-L128 HydrophobicContact CZ-CB 4.17Å; F90-S129 WeakPolarHBondContact CD2-OG 3.34Å; F90-I132 HydrophobicContact CE2-CD1 4.12Å; F90-I132 HydrophobicContact CZ-CD1 3.73Å
91S96.4Very high94.9Very high3 Ų317.5 Ų17.52%0.0219%0.086CC..Hα-helixtrans-63.7-43.9175.9-59.40000111.5S44 S87 S88 I89 A94 I95S44-S91 PolarHBondContact OG-OG 2.93Å; S87-S91 WeakPolarHBondContact O-CB 3.47Å; S87-S91 PolarHBondContact O-N 3.46Å; S87-S91 PolarHBondContact O-OG 3.13Å; S88-S91 PolarHBondContact O-N 3.26Å; I89-S91 VanDerWaalsContact C-N 3.32Å; I89-S91 PolarHBondContact O-N 2.9Å; S91-A94 PolarHBondContact O-N 2.93Å; S91-I95 WeakPolarHBondContact O-CD1 3.41Å; S91-I95 WeakPolarHBondContact O-CG1 3.39Å; S91-I95 PolarHBondContact O-N 3.37Å
92L93.9Very high94.4Very high6 Ų617 Ų173%0.0319%0.085CC..Hα-helixtrans-65-41.4176.7-70.4173.5000112.4L45 S88 I89 I95 A96 M190 I235 V236 F239L45-L92 HydrophobicContact CD2-CD2 3.91Å; L45-L92 HydrophobicContact CD2-CG 4.48Å; S88-L92 WeakPolarHBondContact O-CB 3.31Å; S88-L92 VanDerWaalsContact O-CG 3.29Å; S88-L92 WeakPolarHBondContact O-CG 3.38Å; S88-L92 PolarHBondContact O-N 3.48Å; I89-L92 PolarHBondContact O-N 3.49Å; L92-I95 PolarHBondContact O-N 3.44Å; L92-A96 PolarHBondContact O-N 3.46Å; L92-M190 VanDerWaalsContact C-SD 3.56Å; L92-M190 HydrophobicContact CB-CE 4.38Å; L92-M190 HydrophobicContact CB-SD 3.63Å; L92-I235 HydrophobicContact CD2-CG2 3.58Å; L92-V236 HydrophobicContact CB-CG2 4.45Å; L92-V236 HydrophobicContact CD2-CG2 4.43Å; L92-F239 HydrophobicContact CD1-CB 3.93Å; L92-F239 HydrophobicContact CD1-CD1 4.41Å; L92-F239 HydrophobicContact CD1-CD2 3.74Å; L92-F239 HydrophobicContact CD1-CE2 4.4Å; L92-F239 HydrophobicContact CD1-CG 3.75Å
93L95.6Very high93.7Very high30 Ų3017.3 Ų17.316%0.1579%0.087CC..Hα-helixtrans-64.6-43.4176.2179.761.8000111.1I89 F90 I95 A96 I97 L189 M190I89-L93 WeakPolarHBondContact O-CB 3.39Å; I89-L93 PolarHBondContact O-N 2.94Å; F90-L93 PolarHBondContact O-N 2.98Å; L93-I95 VanDerWaalsContact C-N 3.34Å; L93-I95 PolarHBondContact O-N 3.26Å; L93-A96 WeakPolarHBondContact O-CB 3.26Å; L93-A96 PolarHBondContact O-N 3.49Å; L93-I97 HydrophobicContact CD1-CD1 4.13Å; L93-I97 HydrophobicContact CD1-CG1 4.38Å; L93-I97 HydrophobicContact CG-CD1 3.98Å; L93-I97 WeakPolarHBondContact O-CG1 3.48Å; L93-I97 PolarHBondContact O-N 3.21Å; L93-L189 HydrophobicContact CD1-CB 4.32Å; L93-M190 HydrophobicContact CB-CG 4.17Å; L93-M190 HydrophobicContact CB-SD 4.24Å; L93-M190 HydrophobicContact CD1-CG 3.65Å; L93-M190 PolarHBondContact N-SD 3.48Å
94A95.3Very high93Very high15 Ų1523 Ų2312%0.12411%0.108CC..Hα-helixtrans-62-41.5175.900000111.8F41 F90 S91 I97 D98F41-A94 HydrophobicContact CD1-CB 3.58Å; F41-A94 HydrophobicContact CD2-CB 4.33Å; F41-A94 HydrophobicContact CE1-CB 3.54Å; F41-A94 HydrophobicContact CE2-CB 4.29Å; F41-A94 HydrophobicContact CG-CB 3.99Å; F41-A94 HydrophobicContact CZ-CB 3.92Å; F90-A94 VanDerWaalsContact O-CB 3.3Å; F90-A94 WeakPolarHBondContact O-CB 3.18Å; F90-A94 PolarHBondContact O-N 3.4Å; S91-A94 PolarHBondContact O-N 2.93Å; A94-I97 PolarHBondContact O-N 3.46Å; A94-D98 VanDerWaalsContact O-CB 3.28Å; A94-D98 WeakPolarHBondContact O-CB 3.48Å; A94-D98 PolarHBondContact O-N 2.89Å
95I93.4Very high92.5Very high4 Ų426.8 Ų26.82%0.02113%0.128CC..Hα-helixtrans-60.6-45.4173.1-69.5163.7000110.6T38 F41 V42 S91 L92 L93 I97 D98 R99 L232T38-I95 HydrophobicContact CG2-CG2 4.28Å; F41-I95 HydrophobicContact CB-CD1 4.08Å; F41-I95 HydrophobicContact CB-CG1 3.58Å; F41-I95 HydrophobicContact CG-CG1 4.45Å; V42-I95 HydrophobicContact CG2-CD1 4.03Å; S91-I95 WeakPolarHBondContact O-CD1 3.41Å; S91-I95 WeakPolarHBondContact O-CG1 3.39Å; S91-I95 PolarHBondContact O-N 3.37Å; L92-I95 PolarHBondContact O-N 3.44Å; L93-I95 VanDerWaalsContact C-N 3.34Å; L93-I95 PolarHBondContact O-N 3.26Å; I95-I97 PolarHBondContact O-N 2.96Å; I95-D98 PolarHBondContact O-N 3.5Å; I95-R99 VanDerWaalsContact O-CG 3.3Å; I95-R99 WeakPolarHBondContact O-CG 3.22Å; I95-R99 PolarHBondContact O-N 3Å; I95-L232 HydrophobicContact CG2-CD1 3.85Å; I95-L232 HydrophobicContact CG2-CD2 3.92Å; I95-L232 HydrophobicContact CG2-CG 4.32Å
96A91.9Very high92Very high0 Ų030.5 Ų30.50%015%0.152CC..Hα-helixtrans-61.4-44.2178.800000111.9L92 L93 Y100 M190 V193 Y194L92-A96 PolarHBondContact O-N 3.46Å; L93-A96 WeakPolarHBondContact O-CB 3.26Å; L93-A96 PolarHBondContact O-N 3.49Å; A96-Y100 WeakPolarHBondContact O-CB 3.29Å; A96-Y100 PolarHBondContact O-N 3.07Å; A96-M190 HydrophobicContact CB-CG 4.2Å; A96-V193 HydrophobicContact CB-CG1 4.21Å; A96-V193 WeakPolarHBondContact O-CG1 3.32Å; A96-Y194 HydrophobicContact CB-CE2 3.79Å
97I92.6Very high91.5Very high76 Ų7638.4 Ų38.439%0.3919%0.194SC..Hα-helixtrans-65.8-45.9177.3-67.1168000111L93 A94 I95 R99 Y100 I101L93-I97 HydrophobicContact CD1-CD1 4.13Å; L93-I97 HydrophobicContact CD1-CG1 4.38Å; L93-I97 HydrophobicContact CG-CD1 3.98Å; L93-I97 WeakPolarHBondContact O-CG1 3.48Å; L93-I97 PolarHBondContact O-N 3.21Å; A94-I97 PolarHBondContact O-N 3.46Å; I95-I97 PolarHBondContact O-N 2.96Å; I97-R99 VanDerWaalsContact C-N 3.32Å; I97-R99 PolarHBondContact O-N 3.25Å; I97-Y100 WeakPolarHBondContact O-CB 3.47Å; I97-Y100 PolarHBondContact O-N 2.98Å; I97-Y100 VanDerWaalsContact O-N 3.13Å; I97-I101 HydrophobicContact CG2-CD1 3.82Å; I97-I101 HydrophobicContact CG2-CG1 4.37Å; I97-I101 WeakPolarHBondContact O-CG1 3.33Å; I97-I101 PolarHBondContact O-N 3.5Å
98D91.8Very high91.1Very high5 Ų547 Ų473%0.02723%0.226CC..Hα-helixtrans-55-47.5176.816675.8000111.4T38 A94 I95 Y100 I101 A102 Y109 V113T38-D98 WeakPolarHBondContact CB-OD2 3.32Å; T38-D98 PolarHBondContact OG1-OD2 3.34Å; A94-D98 VanDerWaalsContact O-CB 3.28Å; A94-D98 WeakPolarHBondContact O-CB 3.48Å; A94-D98 PolarHBondContact O-N 2.89Å; I95-D98 PolarHBondContact O-N 3.5Å; D98-Y100 PolarHBondContact O-N 3.46Å; D98-I101 PolarHBondContact O-N 3.44Å; D98-A102 WeakPolarHBondContact O-CB 3.43Å; D98-A102 PolarHBondContact O-N 3.32Å; D98-Y109 VanDerWaalsContact OD1-CE2 3.29Å; D98-Y109 WeakPolarHBondContact OD1-CE2 3.21Å; D98-Y109 PolarHBondContact OD1-OH 2.9Å; D98-V113 WeakPolarHBondContact OD1-CG1 3.48Å
99R88.1Confident90.8Very high32 Ų3248.5 Ų48.512%0.12123%0.231CC..Hα-helixtrans-65.5-38.1176.6-66.1-6185.1-158.7-2.1113T38 I95 I97 I101 A102 I103 Y109 I197 E225 L232T38-R99 PolarHBondContact OG1-NH2 2.9Å; I95-R99 VanDerWaalsContact O-CG 3.3Å; I95-R99 WeakPolarHBondContact O-CG 3.22Å; I95-R99 PolarHBondContact O-N 3Å; I97-R99 VanDerWaalsContact C-N 3.32Å; I97-R99 PolarHBondContact O-N 3.25Å; R99-I101 VanDerWaalsContact C-N 3.34Å; R99-A102 PolarHBondContact O-N 3.13Å; R99-I103 WeakPolarHBondContact O-CG1 3.46Å; R99-I103 PolarHBondContact O-N 2.86Å; R99-Y109 PolarHBondContact NH2-OH 2.97Å; R99-I197 HydrophobicContact CB-CD1 4.34Å; R99-E225 IonicContact NH1-OE2 3.85Å; R99-L232 HydrophobicContact CG-CD1 3.33Å
100Y89.3Confident90.4Very high74 Ų7454.8 Ų54.829%0.2927%0.265SS..Hα-helixtrans-58.8-47.8174.8178.9-94000111.4A96 I97 D98 I103 R104 V193 R196 I197A96-Y100 WeakPolarHBondContact O-CB 3.29Å; A96-Y100 PolarHBondContact O-N 3.07Å; I97-Y100 WeakPolarHBondContact O-CB 3.47Å; I97-Y100 PolarHBondContact O-N 2.98Å; I97-Y100 VanDerWaalsContact O-N 3.13Å; D98-Y100 PolarHBondContact O-N 3.46Å; Y100-I103 PolarHBondContact O-N 2.99Å; Y100-R104 HydrophobicContact CD1-CG 4.39Å; Y100-R104 HydrophobicContact CD2-CG 4.06Å; Y100-R104 HydrophobicContact CE1-CB 4.43Å; Y100-R104 HydrophobicContact CE1-CG 4.09Å; Y100-R104 HydrophobicContact CE2-CG 3.73Å; Y100-R104 HydrophobicContact CG-CG 4.37Å; Y100-R104 VanDerWaalsContact O-CB 3.26Å; Y100-R104 WeakPolarHBondContact O-CB 3.43Å; Y100-R104 WeakPolarHBondContact O-CG 3.29Å; Y100-R104 PolarHBondContact O-N 3.3Å; Y100-V193 HydrophobicContact CD2-CG1 4.03Å; Y100-V193 HydrophobicContact CG-CG1 4.12Å; Y100-R196 HydrophobicContact CE2-CB 3.99Å; Y100-I197 HydrophobicContact CD2-CG1 3.87Å
101I90.6Very high90Very high39 Ų3955.7 Ų55.720%0.229%0.285CS..Hα-helixtrans-64.6-44.8179.6-60.7166.5000110.2I97 D98 R99 I103 R104 I105 Y109 V113I97-I101 HydrophobicContact CG2-CD1 3.82Å; I97-I101 HydrophobicContact CG2-CG1 4.37Å; I97-I101 WeakPolarHBondContact O-CG1 3.33Å; I97-I101 PolarHBondContact O-N 3.5Å; D98-I101 PolarHBondContact O-N 3.44Å; R99-I101 VanDerWaalsContact C-N 3.34Å; I101-I103 VanDerWaalsContact C-N 3.3Å; I101-I103 PolarHBondContact O-N 3.03Å; I101-R104 PolarHBondContact O-N 3.47Å; I101-I105 CarbonylContact O-C 3.51Å; I101-I105 PolarHBondContact O-N 3.08Å; I101-Y109 HydrophobicContact CB-CD2 4.42Å; I101-Y109 HydrophobicContact CG2-CD2 4.03Å; I101-V113 HydrophobicContact CD1-CG2 4.14Å; I101-V113 HydrophobicContact CG2-CG2 4.18Å
102A87.1Confident89.7Confident17 Ų1759.6 Ų59.614%0.1431%0.305CS..Hα-helixtrans-57.9-40.5179.300000112.7D98 R99 Y109D98-A102 WeakPolarHBondContact O-CB 3.43Å; D98-A102 PolarHBondContact O-N 3.32Å; R99-A102 PolarHBondContact O-N 3.13Å; A102-Y109 HydrophobicContact CB-CD2 3.8Å; A102-Y109 HydrophobicContact CB-CE2 3.79Å; A102-Y109 HydrophobicContact CB-CG 4.38Å
103I82.6Confident89.7Confident14 Ų1460.6 Ų60.67%0.07231%0.311CS..Hα-helixtrans-82.1-37.1-177.7-65.6169.8000111.9R99 Y100 I101 I197 E225 A229R99-I103 WeakPolarHBondContact O-CG1 3.46Å; R99-I103 PolarHBondContact O-N 2.86Å; Y100-I103 PolarHBondContact O-N 2.99Å; I101-I103 VanDerWaalsContact C-N 3.3Å; I101-I103 PolarHBondContact O-N 3.03Å; I103-I197 HydrophobicContact CD1-CG2 3.48Å; I103-I197 VanDerWaalsContact CD1-CG2 3.48Å; I103-E225 HydrophobicContact CG1-CB 4.35Å; I103-A229 HydrophobicContact CD1-CB 4.17Å
104R84.6Confident89.7Confident119 Ų11961.3 Ų61.345%0.44932%0.317SS..Hα-helixtrans-85.4-33.4-174.7-70-66.6-59.2-146.9-1.7113.7Y100 I101Y100-R104 HydrophobicContact CD1-CG 4.39Å; Y100-R104 HydrophobicContact CD2-CG 4.06Å; Y100-R104 HydrophobicContact CE1-CB 4.43Å; Y100-R104 HydrophobicContact CE1-CG 4.09Å; Y100-R104 HydrophobicContact CE2-CG 3.73Å; Y100-R104 HydrophobicContact CG-CG 4.37Å; Y100-R104 VanDerWaalsContact O-CB 3.26Å; Y100-R104 WeakPolarHBondContact O-CB 3.43Å; Y100-R104 WeakPolarHBondContact O-CG 3.29Å; Y100-R104 PolarHBondContact O-N 3.3Å; I101-R104 PolarHBondContact O-N 3.47Å
105I86.1Confident89.6Confident81 Ų8161.7 Ų61.742%0.41532%0.323SS..  trans-13760.6-173.7-39177.7000110.2I101 L107 R108 Y109I101-I105 CarbonylContact O-C 3.51Å; I101-I105 PolarHBondContact O-N 3.08Å; I105-L107 VanDerWaalsContact C-N 3.27Å; I105-L107 PolarHBondContact O-N 2.95Å; I105-R108 HydrophobicContact CG2-CB 3.86Å; I105-R108 HydrophobicContact CG2-CG 4.1Å; I105-R108 PolarHBondContact O-N 3.33Å; I105-Y109 PolarHBondContact O-N 3.43Å
106P85.4Confident89.6Confident82 Ų8267.2 Ų67.253%0.53236%0.357SS..Hα-helixtrans-59.7-35.5-173.523.2-34.1000113.2R108 Y109P106-R108 VanDerWaalsContact C-N 3.31Å; P106-R108 PolarHBondContact O-N 2.9Å; P106-Y109 WeakPolarHBondContact O-CB 3.46Å; P106-Y109 PolarHBondContact O-N 3.44Å
107L87.2Confident89.8Confident170 Ų17074 Ų7489%0.8938%0.382SS*.Hα-helixtrans-67-28.2-177.4-62.9177.4000113.8I105I105-L107 VanDerWaalsContact C-N 3.27Å; I105-L107 PolarHBondContact O-N 2.95Å
108R90.4Very high90Very high181 Ų18170.5 Ų70.568%0.68337%0.365SS*.Hα-helixtrans-102.9-6.4179.9-62-173.9178.5-175.2-0.4113I105 P106 N110 G111 L112I105-R108 HydrophobicContact CG2-CB 3.86Å; I105-R108 HydrophobicContact CG2-CG 4.1Å; I105-R108 PolarHBondContact O-N 3.33Å; P106-R108 VanDerWaalsContact C-N 3.31Å; P106-R108 PolarHBondContact O-N 2.9Å; R108-N110 PolarHBondContact O-N 3Å; R108-G111 PolarHBondContact O-N 3.15Å; R108-G111 VanDerWaalsContact O-N 3.13Å; R108-L112 HydrophobicContact CB-CD1 3.94Å; R108-L112 HydrophobicContact CB-CG 4.37Å; R108-L112 WeakPolarHBondContact O-CG 3.46Å; R108-L112 PolarHBondContact O-N 3.32Å
109Y90.8Very high90.2Very high33 Ų3376.6 Ų76.613%0.12939%0.391CS..Hα-helixtrans-53.4-51.8-175.5176.4-99.9000112D98 R99 I101 A102 I105 P106 G111 L112 V113D98-Y109 VanDerWaalsContact OD1-CE2 3.29Å; D98-Y109 WeakPolarHBondContact OD1-CE2 3.21Å; D98-Y109 PolarHBondContact OD1-OH 2.9Å; R99-Y109 PolarHBondContact NH2-OH 2.97Å; I101-Y109 HydrophobicContact CB-CD2 4.42Å; I101-Y109 HydrophobicContact CG2-CD2 4.03Å; A102-Y109 HydrophobicContact CB-CD2 3.8Å; A102-Y109 HydrophobicContact CB-CE2 3.79Å; A102-Y109 HydrophobicContact CB-CG 4.38Å; I105-Y109 PolarHBondContact O-N 3.43Å; P106-Y109 WeakPolarHBondContact O-CB 3.46Å; P106-Y109 PolarHBondContact O-N 3.44Å; Y109-G111 PolarHBondContact O-N 3.27Å; Y109-L112 PolarHBondContact O-N 3.43Å; Y109-L112 VanDerWaalsContact O-N 3.12Å; Y109-V113 HydrophobicContact CD2-CB 4.05Å; Y109-V113 HydrophobicContact CD2-CG2 3.83Å; Y109-V113 HydrophobicContact CE2-CB 3.69Å; Y109-V113 HydrophobicContact CE2-CG1 3.88Å; Y109-V113 HydrophobicContact CE2-CG2 3.7Å; Y109-V113 PolarHBondContact O-N 3.44Å
110N88.2Confident90.6Very high133 Ų13376.6 Ų76.671%0.71140%0.401SS*.Hα-helixtrans-63.8-24.7-177.2-67-27000113.9R108R108-N110 PolarHBondContact O-N 3Å
111G88.6Confident91Very high56 Ų5676.9 Ų76.958%0.57741%0.407SS*.Hα-helixtrans-88.4-25.9175.800000113.9R108 Y109 R117R108-G111 PolarHBondContact O-N 3.15Å; R108-G111 VanDerWaalsContact O-N 3.13Å; Y109-G111 PolarHBondContact O-N 3.27Å; G111-R117 PolarHBondContact O-NH1 3.43Å
112L90.6Very high91.4Very high85 Ų8576.4 Ų76.445%0.44540%0.404SS..Hα-helixtrans-88-49.4-179.6-70.2172.6000111.8R108 Y109 R117R108-L112 HydrophobicContact CB-CD1 3.94Å; R108-L112 HydrophobicContact CB-CG 4.37Å; R108-L112 WeakPolarHBondContact O-CG 3.46Å; R108-L112 PolarHBondContact O-N 3.32Å; Y109-L112 PolarHBondContact O-N 3.43Å; Y109-L112 VanDerWaalsContact O-N 3.12Å; L112-R117 PolarHBondContact O-NH1 3.11Å
113V93.3Very high91.9Very high26 Ų2678.2 Ų78.216%0.15842%0.419CS..SBendtrans-101.392.8-170.7-176.80000109.1V37 D98 I101 Y109V37-V113 HydrophobicContact CB-CG1 3.88Å; V37-V113 HydrophobicContact CG1-CG1 3.39Å; V37-V113 HydrophobicContact CG2-CG1 4.13Å; D98-V113 WeakPolarHBondContact OD1-CG1 3.48Å; I101-V113 HydrophobicContact CD1-CG2 4.14Å; I101-V113 HydrophobicContact CG2-CG2 4.18Å; Y109-V113 HydrophobicContact CD2-CB 4.05Å; Y109-V113 HydrophobicContact CD2-CG2 3.83Å; Y109-V113 HydrophobicContact CE2-CB 3.69Å; Y109-V113 HydrophobicContact CE2-CG1 3.88Å; Y109-V113 HydrophobicContact CE2-CG2 3.7Å; Y109-V113 PolarHBondContact O-N 3.44Å
114T95.2Very high92.7Very high45 Ų4582.5 Ų82.528%0.27644%0.441SS..  trans-110.8154.5-178.370.40000111.5T116 R117 A118T114-T116 VanDerWaalsContact C-N 3.33Å; T114-T116 PolarHBondContact O-N 3.32Å; T114-R117 PolarHBondContact O-N 3.13Å; T114-R117 WeakPolarHBondContact OG1-CG 3.29Å; T114-R117 PolarHBondContact OG1-N 3.4Å; T114-A118 WeakPolarHBondContact O-CB 3.29Å; T114-A118 PolarHBondContact O-N 3.19Å
115G93.2Very high93.3Very high24 Ų2477.8 Ų77.825%0.24743%0.426CS..Hα-helixtrans-59.9-39.1-179.700000113.9A118 K119G115-A118 PolarHBondContact O-N 3.14Å; G115-K119 WeakPolarHBondContact O-CG 3.42Å; G115-K119 PolarHBondContact O-N 2.92Å
116T94.6Very high93.9Very high120 Ų12076.8 Ų76.874%0.73642%0.417SS*.Hα-helixtrans-65.2-44.1178.2-48.60000111.6T114 A118 K119 G120T114-T116 VanDerWaalsContact C-N 3.33Å; T114-T116 PolarHBondContact O-N 3.32Å; T116-A118 VanDerWaalsContact C-N 3.34Å; T116-K119 PolarHBondContact O-N 3.37Å; T116-G120 PolarHBondContact O-N 2.8Å; T116-G120 VanDerWaalsContact O-N 3.12Å
117R95.8Very high94.5Very high143 Ų14377.8 Ų77.854%0.5442%0.421SS..Hα-helixtrans-63.1-42.6175.3-71.4177.9178.9163.41.6111.1G111 L112 T114 K119 G120 I121G111-R117 PolarHBondContact O-NH1 3.43Å; L112-R117 PolarHBondContact O-NH1 3.11Å; T114-R117 PolarHBondContact O-N 3.13Å; T114-R117 WeakPolarHBondContact OG1-CG 3.29Å; T114-R117 PolarHBondContact OG1-N 3.4Å; R117-K119 PolarHBondContact O-N 3.05Å; R117-G120 PolarHBondContact O-N 3.38Å; R117-I121 WeakPolarHBondContact O-CG1 3.5Å; R117-I121 PolarHBondContact O-N 3.47Å
118A95.9Very high95Very high2 Ų273.5 Ų73.52%0.01740%0.399CS..Hα-helixtrans-60.9-43.6177.700000112.8V37 Y40 F41 T114 G115 T116 G120 I121 I122V37-A118 HydrophobicContact CG1-CB 3.51Å; Y40-A118 HydrophobicContact CD2-CB 4.35Å; F41-A118 HydrophobicContact CE2-CB 4.15Å; F41-A118 HydrophobicContact CZ-CB 3.95Å; T114-A118 WeakPolarHBondContact O-CB 3.29Å; T114-A118 PolarHBondContact O-N 3.19Å; G115-A118 PolarHBondContact O-N 3.14Å; T116-A118 VanDerWaalsContact C-N 3.34Å; A118-G120 VanDerWaalsContact C-N 3.32Å; A118-G120 PolarHBondContact O-N 2.98Å; A118-I121 PolarHBondContact O-N 3.48Å; A118-I122 VanDerWaalsContact O-CG1 3.3Å; A118-I122 WeakPolarHBondContact O-CG1 3.37Å; A118-I122 PolarHBondContact O-N 3.29Å
119K95.8Very high95.4Very high132 Ų13264.9 Ų64.957%0.57437%0.367SS*.Hα-helixtrans-60.3-41.3174-70.8175.7-177.3-177.50112.1G115 T116 R117 I122 A123G115-K119 WeakPolarHBondContact O-CG 3.42Å; G115-K119 PolarHBondContact O-N 2.92Å; T116-K119 PolarHBondContact O-N 3.37Å; R117-K119 PolarHBondContact O-N 3.05Å; K119-I122 PolarHBondContact O-N 3.32Å; K119-A123 PolarHBondContact O-N 3.03Å
120G97.7Very high95.8Very high33 Ų3367.4 Ų67.434%0.3438%0.378SS..Hα-helixtrans-62.3-45.1174.100000112.9T116 R117 A118 I122 A123 I124T116-G120 PolarHBondContact O-N 2.8Å; T116-G120 VanDerWaalsContact O-N 3.12Å; R117-G120 PolarHBondContact O-N 3.38Å; A118-G120 VanDerWaalsContact C-N 3.32Å; A118-G120 PolarHBondContact O-N 2.98Å; G120-I122 PolarHBondContact O-N 3.11Å; G120-A123 PolarHBondContact O-N 3.31Å; G120-I124 WeakPolarHBondContact O-CG1 3.43Å; G120-I124 PolarHBondContact O-N 2.91Å
121I97.4Very high96.2Very high79 Ų7963.6 Ų63.641%0.40537%0.366SS..Hα-helixtrans-59.8-46.4175.6-67.1164.9000110.4F41 R117 A118 A123 I124 C125F41-I121 HydrophobicContact CE1-CB 4.36Å; F41-I121 HydrophobicContact CE1-CG2 3.95Å; F41-I121 HydrophobicContact CZ-CB 4.5Å; F41-I121 HydrophobicContact CZ-CG2 4.29Å; R117-I121 WeakPolarHBondContact O-CG1 3.5Å; R117-I121 PolarHBondContact O-N 3.47Å; A118-I121 PolarHBondContact O-N 3.48Å; I121-A123 VanDerWaalsContact C-N 3.34Å; I121-A123 PolarHBondContact O-N 2.94Å; I121-I124 PolarHBondContact O-N 3.17Å; I121-C125 WeakPolarHBondContact O-CB 3.46Å; I121-C125 PolarHBondContact O-N 3.21Å; I121-C125 PolarHBondContact O-SG 2.94Å
122I98.3Very high96.6Very high29 Ų2962.3 Ų62.315%0.14935%0.345CS..Hα-helixtrans-57.2-47.6177.4-70.3164.9000110.8F41 A118 K119 G120 I124 C125 W126F41-I122 HydrophobicContact CD1-CD1 3.99Å; F41-I122 HydrophobicContact CD1-CG1 3.61Å; F41-I122 HydrophobicContact CE1-CD1 4.21Å; F41-I122 HydrophobicContact CE1-CG1 3.65Å; A118-I122 VanDerWaalsContact O-CG1 3.3Å; A118-I122 WeakPolarHBondContact O-CG1 3.37Å; A118-I122 PolarHBondContact O-N 3.29Å; K119-I122 PolarHBondContact O-N 3.32Å; G120-I122 PolarHBondContact O-N 3.11Å; I122-I124 VanDerWaalsContact C-N 3.35Å; I122-I124 PolarHBondContact O-N 3.36Å; I122-C125 WeakPolarHBondContact O-CB 3.47Å; I122-C125 PolarHBondContact O-N 2.96Å; I122-W126 VanDerWaalsContact O-CD1 3.28Å; I122-W126 PolarHBondContact O-N 2.95Å
123A98.2Very high96.9Very high56 Ų5658.2 Ų58.246%0.46332%0.324SS..Hα-helixtrans-59.7-44.5178.600000112.2K119 G120 I121 W126 V127K119-A123 PolarHBondContact O-N 3.03Å; G120-A123 PolarHBondContact O-N 3.31Å; I121-A123 VanDerWaalsContact C-N 3.34Å; I121-A123 PolarHBondContact O-N 2.94Å; A123-W126 PolarHBondContact O-N 3.5Å; A123-V127 WeakPolarHBondContact O-CG2 3.34Å; A123-V127 PolarHBondContact O-N 3.18Å; A123-V127 VanDerWaalsContact O-N 3.11Å
124I98.3Very high97.1Very high104 Ų10458.5 Ų58.553%0.53332%0.324SS..Hα-helixtrans-61.5-45.7175.9-66.5165.1000110.5G120 I121 I122 W126 V127 L128G120-I124 WeakPolarHBondContact O-CG1 3.43Å; G120-I124 PolarHBondContact O-N 2.91Å; I121-I124 PolarHBondContact O-N 3.17Å; I122-I124 VanDerWaalsContact C-N 3.35Å; I122-I124 PolarHBondContact O-N 3.36Å; I124-W126 VanDerWaalsContact C-N 3.33Å; I124-W126 PolarHBondContact O-N 3.47Å; I124-V127 PolarHBondContact O-N 3.36Å; I124-L128 HydrophobicContact CG2-CD1 3.84Å; I124-L128 HydrophobicContact CG2-CG 4.22Å; I124-L128 WeakPolarHBondContact O-CB 3.16Å; I124-L128 WeakPolarHBondContact O-CG 3.49Å; I124-L128 PolarHBondContact O-N 3.33Å
125C98.3Very high97.3Very high19 Ų1957.5 Ų57.513%0.12832%0.318CS..Hα-helixtrans-58.6-43.2178.4-69.60000111.8F90 I121 I122 L128 S129F90-C125 HydrophobicContact CB-CB 3.77Å; F90-C125 HydrophobicContact CD2-CB 4.01Å; F90-C125 WeakPolarHBondContact CD2-O 3.36Å; F90-C125 HydrophobicContact CG-CB 4.17Å; I121-C125 WeakPolarHBondContact O-CB 3.46Å; I121-C125 PolarHBondContact O-N 3.21Å; I121-C125 PolarHBondContact O-SG 2.94Å; I122-C125 WeakPolarHBondContact O-CB 3.47Å; I122-C125 PolarHBondContact O-N 2.96Å; C125-L128 PolarHBondContact O-N 3.45Å; C125-S129 WeakPolarHBondContact O-CB 3.23Å; C125-S129 PolarHBondContact O-N 2.94Å; C125-S129 PolarHBondContact O-OG 3.27Å
126W98.6Very high97.4Very high61 Ų6156.4 Ų56.423%0.23131%0.307CS..Hα-helixtrans-62.6-45.6176-85.597.2000112.5S44 A47 A48 L84 S87 I122 A123 I124 L128 S129 F130S44-W126 PolarHBondContact OG-NE1 2.96Å; S44-W126 VanDerWaalsContact OG-NE1 3.1Å; A47-W126 HydrophobicContact CB-CZ2 4.49Å; A48-W126 HydrophobicContact CB-CH2 4.11Å; A48-W126 HydrophobicContact CB-CZ2 4.24Å; L84-W126 HydrophobicContact CD2-CH2 4.23Å; L84-W126 HydrophobicContact CD2-CZ3 4.19Å; S87-W126 VanDerWaalsContact OG-CZ2 3.3Å; S87-W126 WeakPolarHBondContact OG-CZ2 3.34Å; I122-W126 VanDerWaalsContact O-CD1 3.28Å; I122-W126 PolarHBondContact O-N 2.95Å; A123-W126 PolarHBondContact O-N 3.5Å; I124-W126 VanDerWaalsContact C-N 3.33Å; I124-W126 PolarHBondContact O-N 3.47Å; W126-L128 VanDerWaalsContact C-N 3.34Å; W126-L128 PolarHBondContact O-N 3.29Å; W126-S129 WeakPolarHBondContact O-CB 3.48Å; W126-S129 PolarHBondContact O-N 3.46Å; W126-S129 VanDerWaalsContact O-N 3.17Å; W126-F130 AromaticContact CE3-CE2 3.95Å; W126-F130 HydrophobicContact CE3-CE2 3.95Å; W126-F130 HydrophobicContact CZ3-CE2 4.44Å; W126-F130 VanDerWaalsContact O-CD2 3.29Å; W126-F130 WeakPolarHBondContact O-CD2 3.33Å; W126-F130 PolarHBondContact O-N 3.21Å
127V98.5Very high97.5Very high102 Ų10253.6 Ų53.662%0.61829%0.286SS*.Hα-helixtrans-59.9-45.9177172.30000110.9A123 I124 S129 F130 A131A123-V127 WeakPolarHBondContact O-CG2 3.34Å; A123-V127 PolarHBondContact O-N 3.18Å; A123-V127 VanDerWaalsContact O-N 3.11Å; I124-V127 PolarHBondContact O-N 3.36Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 3.18Å; V127-F130 PolarHBondContact O-N 3.25Å; V127-A131 PolarHBondContact O-N 2.85Å
128L98.1Very high97.4Very high81 Ų8153.8 Ų53.842%0.42430%0.297SS..Hα-helixtrans-62.9-37.6176.2-69176.5000111.9F90 I124 C125 W126 A131 I132F90-L128 HydrophobicContact CE2-CB 3.71Å; F90-L128 HydrophobicContact CZ-CB 4.17Å; I124-L128 HydrophobicContact CG2-CD1 3.84Å; I124-L128 HydrophobicContact CG2-CG 4.22Å; I124-L128 WeakPolarHBondContact O-CB 3.16Å; I124-L128 WeakPolarHBondContact O-CG 3.49Å; I124-L128 PolarHBondContact O-N 3.33Å; C125-L128 PolarHBondContact O-N 3.45Å; W126-L128 VanDerWaalsContact C-N 3.34Å; W126-L128 PolarHBondContact O-N 3.29Å; L128-A131 PolarHBondContact O-N 2.76Å; L128-I132 WeakPolarHBondContact O-CB 3.38Å; L128-I132 VanDerWaalsContact O-CG1 3.24Å; L128-I132 WeakPolarHBondContact O-CG1 3.29Å; L128-I132 PolarHBondContact O-N 3.24Å
129S98.5Very high97.3Very high0 Ų056.3 Ų56.30%032%0.323CS..Hα-helixtrans-62.8-41.9175.5-65.80000112.8V83 Q86 S87 F90 C125 W126 V127 G133V83-S129 WeakPolarHBondContact O-CB 3.42Å; Q86-S129 VanDerWaalsContact C-OG 3.25Å; S87-S129 WeakPolarHBondContact CA-OG 3.33Å; S87-S129 PolarHBondContact N-OG 3.37Å; F90-S129 WeakPolarHBondContact CD2-OG 3.34Å; C125-S129 WeakPolarHBondContact O-CB 3.23Å; C125-S129 PolarHBondContact O-N 2.94Å; C125-S129 PolarHBondContact O-OG 3.27Å; W126-S129 WeakPolarHBondContact O-CB 3.48Å; W126-S129 PolarHBondContact O-N 3.46Å; W126-S129 VanDerWaalsContact O-N 3.17Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 3.18Å; S129-G133 PolarHBondContact O-N 2.99Å
130F98.4Very high97.3Very high85 Ų8555 Ų5537%0.37331%0.314SS..Hα-helixtrans-63.9-45.2173.9-85.3-76.6000111.3F80 V83 W126 V127 I132 L134F80-F130 HydrophobicContact CE2-CE1 4.3Å; V83-F130 HydrophobicContact CG1-CB 4.49Å; V83-F130 HydrophobicContact CG1-CD1 3.77Å; V83-F130 HydrophobicContact CG1-CD2 4.04Å; V83-F130 HydrophobicContact CG1-CE1 3.9Å; V83-F130 HydrophobicContact CG1-CE2 4.15Å; V83-F130 HydrophobicContact CG1-CG 3.84Å; V83-F130 HydrophobicContact CG1-CZ 4.08Å; V83-F130 HydrophobicContact CG2-CD1 4.15Å; W126-F130 AromaticContact CE3-CE2 3.95Å; W126-F130 HydrophobicContact CE3-CE2 3.95Å; W126-F130 HydrophobicContact CZ3-CE2 4.44Å; W126-F130 VanDerWaalsContact O-CD2 3.29Å; W126-F130 WeakPolarHBondContact O-CD2 3.33Å; W126-F130 PolarHBondContact O-N 3.21Å; V127-F130 PolarHBondContact O-N 3.25Å; F130-I132 PolarHBondContact O-N 2.86Å; F130-L134 HydrophobicContact CD1-CD1 3.94Å; F130-L134 VanDerWaalsContact O-CB 3.29Å; F130-L134 WeakPolarHBondContact O-CB 3.29Å; F130-L134 WeakPolarHBondContact O-CG 3.49Å; F130-L134 PolarHBondContact O-N 2.9Å
131A97.6Very high97.2Very high54 Ų5454.9 Ų54.945%0.44631%0.306SS..Hα-helixtrans-59.7-47.4178.300000111.9V127 L128 T135V127-A131 PolarHBondContact O-N 2.85Å; L128-A131 PolarHBondContact O-N 2.76Å; A131-T135 PolarHBondContact O-N 2.96Å; A131-T135 PolarHBondContact O-OG1 3.06Å
132I97.1Very high96.9Very high28 Ų2854 Ų5414%0.14430%0.303CS..Hα-helixtrans-70.4-46.5-178.9-69.7166.8000111.6Q86 F90 L128 F130 T135 Y173 F177 C182Q86-I132 HydrophobicContact CG-CB 4.2Å; Q86-I132 HydrophobicContact CG-CD1 3.99Å; Q86-I132 HydrophobicContact CG-CG2 4.09Å; F90-I132 HydrophobicContact CE2-CD1 4.12Å; F90-I132 HydrophobicContact CZ-CD1 3.73Å; L128-I132 WeakPolarHBondContact O-CB 3.38Å; L128-I132 VanDerWaalsContact O-CG1 3.24Å; L128-I132 WeakPolarHBondContact O-CG1 3.29Å; L128-I132 PolarHBondContact O-N 3.24Å; F130-I132 PolarHBondContact O-N 2.86Å; I132-T135 PolarHBondContact O-OG1 2.94Å; I132-T135 VanDerWaalsContact O-OG1 3.06Å; I132-Y173 PolarHBondContact O-OH 3.5Å; I132-F177 HydrophobicContact CG2-CE1 3.9Å; I132-F177 HydrophobicContact CG2-CZ 4.48Å; I132-C182 HydrophobicContact CG2-CB 4.17Å
133G97.2Very high96.4Very high0 Ų053.8 Ų53.80%030%0.303CS..Hα-helixtrans-71.3-34.1-17500000112.8C79 S129 Y173C79-G133 WeakPolarHBondContact CB-O 3.35Å; S129-G133 PolarHBondContact O-N 2.99Å; G133-Y173 PolarHBondContact O-OH 3.32Å
134L97.4Very high95.5Very high31 Ų3154.6 Ų54.616%0.16232%0.316CS..THydrogen-bonded Turntrans-97.710.3179.3-55.6-176.8000113.7F76 C79 V83 F130 P136 M137F76-L134 HydrophobicContact CD2-CD2 4.34Å; C79-L134 HydrophobicContact CB-CD2 3.91Å; V83-L134 HydrophobicContact CG2-CD2 3.9Å; V83-L134 HydrophobicContact CG2-CG 3.81Å; F130-L134 HydrophobicContact CD1-CD1 3.94Å; F130-L134 VanDerWaalsContact O-CB 3.29Å; F130-L134 WeakPolarHBondContact O-CB 3.29Å; F130-L134 WeakPolarHBondContact O-CG 3.49Å; F130-L134 PolarHBondContact O-N 2.9Å; L134-P136 VanDerWaalsContact O-N 3.13Å; L134-M137 HydrophobicContact CB-CG 4.41Å; L134-M137 HydrophobicContact CB-SD 4.28Å; L134-M137 HydrophobicContact CD1-SD 4.29Å; L134-M137 HydrophobicContact CD2-SD 4Å; L134-M137 HydrophobicContact CG-SD 4.42Å; L134-M137 WeakPolarHBondContact O-CA 3.5Å; L134-M137 VanDerWaalsContact O-CB 3.29Å; L134-M137 WeakPolarHBondContact O-CB 3.38Å; L134-M137 PolarHBondContact O-N 3.27Å
135T97.4Very high94.2Very high25 Ų2557.7 Ų57.715%0.15333%0.329CS..G310 helixtrans-47.2-39.2172.9-59.80000113.4A131 I132 M137 L138 W140 Y173A131-T135 PolarHBondContact O-N 2.96Å; A131-T135 PolarHBondContact O-OG1 3.06Å; I132-T135 PolarHBondContact O-OG1 2.94Å; I132-T135 VanDerWaalsContact O-OG1 3.06Å; T135-M137 PolarHBondContact O-N 2.89Å; T135-L138 WeakPolarHBondContact O-CB 3.37Å; T135-L138 PolarHBondContact O-N 3.18Å; T135-W140 HydrophobicContact CG2-CE3 4.1Å; T135-Y173 HydrophobicContact CG2-CD2 4.45Å; T135-Y173 HydrophobicContact CG2-CE2 4.09Å
136P96.5Very high92.6Very high0 Ų059.6 Ų59.60%034%0.341CS..G310 helixtrans-58.6-32.2176.4-28.639.7000113.4L75 L134 L138 G139 W140 N141 Y173L75-P136 HydrophobicContact CD1-CB 3.95Å; L75-P136 VanDerWaalsContact CD2-C 3.48Å; L75-P136 HydrophobicContact CD2-CB 3.98Å; L75-P136 WeakPolarHBondContact CD2-O 3.34Å; L75-P136 HydrophobicContact CG-CB 4.09Å; L134-P136 VanDerWaalsContact O-N 3.13Å; P136-L138 PolarHBondContact O-N 3.45Å; P136-G139 PolarHBondContact O-N 3.46Å; P136-W140 VanDerWaalsContact CA-O 3.29Å; P136-W140 WeakPolarHBondContact CA-O 3.35Å; P136-W140 WeakPolarHBondContact CB-O 3.16Å; P136-W140 PolarHBondContact O-N 3.18Å; P136-N141 HydrophobicContact CB-CB 4.5Å; P136-N141 WeakPolarHBondContact O-CB 3.46Å; P136-N141 PolarHBondContact O-ND2 3.34Å; P136-Y173 HydrophobicContact CG-CD1 3.77Å; P136-Y173 HydrophobicContact CG-CD2 4.18Å; P136-Y173 HydrophobicContact CG-CE1 3.5Å; P136-Y173 VanDerWaalsContact CG-CE1 3.5Å; P136-Y173 HydrophobicContact CG-CE2 3.93Å; P136-Y173 HydrophobicContact CG-CG 4.11Å
137M96Very high91Very high61 Ų6162.7 Ų62.730%0.336%0.356SS..G310 helixtrans-68.3-16.9176.3-59.7-170.970.900113.4L75 F76 L134 T135 G139L75-M137 HydrophobicContact CD2-CB 4.39Å; L75-M137 HydrophobicContact CD2-CG 3.94Å; L75-M137 HydrophobicContact CG-CG 4.22Å; F76-M137 HydrophobicContact CB-CE 4.03Å; F76-M137 HydrophobicContact CB-SD 3.94Å; F76-M137 HydrophobicContact CD2-CE 4.47Å; F76-M137 HydrophobicContact CD2-SD 3.93Å; F76-M137 HydrophobicContact CG-SD 4.45Å; L134-M137 HydrophobicContact CB-CG 4.41Å; L134-M137 HydrophobicContact CB-SD 4.28Å; L134-M137 HydrophobicContact CD1-SD 4.29Å; L134-M137 HydrophobicContact CD2-SD 4Å; L134-M137 HydrophobicContact CG-SD 4.42Å; L134-M137 WeakPolarHBondContact O-CA 3.5Å; L134-M137 VanDerWaalsContact O-CB 3.29Å; L134-M137 WeakPolarHBondContact O-CB 3.38Å; L134-M137 PolarHBondContact O-N 3.27Å; T135-M137 PolarHBondContact O-N 2.89Å; M137-G139 PolarHBondContact O-N 2.88Å
138L94.8Very high89.1Confident147 Ų14765.2 Ų65.277%0.7736%0.361SS*.G310 helixtrans-867.2177.3-54179.1000113.1T135 P136T135-L138 WeakPolarHBondContact O-CB 3.37Å; T135-L138 PolarHBondContact O-N 3.18Å; P136-L138 PolarHBondContact O-N 3.45Å
139G93.6Very high87.1Confident55 Ų5564.7 Ų64.757%0.56738%0.375SS*.THydrogen-bonded Turntrans117.5-6.6174.700000114.9P136 M137 N141P136-G139 PolarHBondContact O-N 3.46Å; M137-G139 PolarHBondContact O-N 2.88Å; G139-N141 VanDerWaalsContact C-N 3.25Å; G139-N141 PolarHBondContact O-N 3.1Å; G139-N141 VanDerWaalsContact O-N 3.08Å
140W95.8Very high85.1Confident104 Ų10469.1 Ų69.139%0.39439%0.394SS..  trans-86.465.5173.6-163.5-12.3000110.9T135 P136 P170 N172 Y173 F177T135-W140 HydrophobicContact CG2-CE3 4.1Å; P136-W140 VanDerWaalsContact CA-O 3.29Å; P136-W140 WeakPolarHBondContact CA-O 3.35Å; P136-W140 WeakPolarHBondContact CB-O 3.16Å; P136-W140 PolarHBondContact O-N 3.18Å; W140-P170 WeakPolarHBondContact O-CD 3.5Å; W140-P170 WeakPolarHBondContact O-CG 3.45Å; W140-N172 PolarHBondContact NE1-OD1 3.23Å; W140-Y173 HydrophobicContact CD2-CD2 4.24Å; W140-Y173 HydrophobicContact CE3-CD2 4.13Å; W140-Y173 HydrophobicContact CZ3-CD2 4.44Å; W140-F177 HydrophobicContact CH2-CB 4.19Å; W140-F177 HydrophobicContact CZ3-CB 4.29Å; W140-F177 HydrophobicContact CZ3-CG 4.4Å
141N94.8Very high83.1Confident31 Ų3166.3 Ų66.317%0.16638%0.383CS..SBendtrans-142169.7-176.263.260000112.5L75 P136 G139 C143L75-N141 HydrophobicContact CD1-CB 4.06Å; L75-N141 HydrophobicContact CD2-CB 3.65Å; P136-N141 HydrophobicContact CB-CB 4.5Å; P136-N141 WeakPolarHBondContact O-CB 3.46Å; P136-N141 PolarHBondContact O-ND2 3.34Å; G139-N141 VanDerWaalsContact C-N 3.25Å; G139-N141 PolarHBondContact O-N 3.1Å; G139-N141 VanDerWaalsContact O-N 3.08Å; N141-C143 WeakPolarHBondContact OD1-CB 3.27Å; N141-C143 PolarHBondContact OD1-N 3.02Å; N141-C143 PolarHBondContact OD1-SG 2.92Å
142N91.6Very high81.1Confident62 Ų6272.1 Ų72.133%0.33240%0.401SS..SBendtrans-93.812.2178.7-67.1-19.1000113.1G144 Q145 D167 V168N142-G144 PolarHBondContact O-N 3.14Å; N142-Q145 CarbonylContact O-C 3.51Å; N142-Q145 PolarHBondContact O-N 3.41Å; N142-D167 VanDerWaalsContact CB-O 3.23Å; N142-D167 WeakPolarHBondContact CB-O 3.47Å; N142-D167 PolarHBondContact ND2-O 2.89Å; N142-V168 PolarHBondContact N-O 3.3Å
143C87.1Confident79.3Confident24 Ų2475.5 Ų75.516%0.16243%0.427CS..THydrogen-bonded Turntrans-67.5-23.1-176.9-62.60000113.4C71 N141 Q145C71-C143 HydrophobicContact CB-CB 3.7Å; C71-C143 WeakPolarHBondContact CB-SG 3.44Å; C71-C143 WeakPolarHBondContact SG-CA 3.3Å; C71-C143 WeakPolarHBondContact SG-CB 3.49Å; C71-C143 CovalentContact SG-SG 2.02Å; C71-C143 PolarHBondContact SG-SG 2.84Å; N141-C143 WeakPolarHBondContact OD1-CB 3.27Å; N141-C143 PolarHBondContact OD1-N 3.02Å; N141-C143 PolarHBondContact OD1-SG 2.92Å; C143-Q145 VanDerWaalsContact C-N 3.32Å
144G79.5Confident77.8Confident72 Ų7280 Ų8074%0.74245%0.448SS*.THydrogen-bonded Turntrans-79-10.4177.500000114.7N142N142-G144 PolarHBondContact O-N 3.14Å
145Q71.7Confident76.7Confident169 Ų16981.6 Ų81.679%0.7947%0.472SS*.SBendtrans-132.264.4177.9-65.8-170.6-22.800110.4N142 C143 K147N142-Q145 CarbonylContact O-C 3.51Å; N142-Q145 PolarHBondContact O-N 3.41Å; C143-Q145 VanDerWaalsContact C-N 3.32Å; Q145-K147 PolarHBondContact O-N 3.46Å
146P65.1Low76.1Confident60 Ų6081.3 Ų81.339%0.3947%0.471SS..  trans-61.9132-179.925.4-31.5000110.2E148 V161P146-E148 VanDerWaalsContact C-N 3.28Å; P146-E148 PolarHBondContact O-N 3.47Å; P146-V161 HydrophobicContact CB-CG1 4.17Å
147K64.3Low75.3Confident126 Ų12683.2 Ų83.255%0.54849%0.49SS..  trans-70.383.8174.1-68.3179.4-175.41640109.7Q145 G149 K150 D167Q145-K147 PolarHBondContact O-N 3.46Å; K147-G149 PolarHBondContact O-N 3.26Å; K147-G149 VanDerWaalsContact O-N 3.09Å; K147-K150 PolarHBondContact O-N 2.84Å; K147-K150 VanDerWaalsContact O-N 3.12Å; K147-D167 IonicContact NZ-OD1 2.8Å; K147-D167 PolarHBondContact NZ-OD1 2.91Å
148E58.2Low74.5Confident155 Ų15590 Ų9072%0.72452%0.521SS*.Hα-helixtrans-51.4-35.7-175.9-71.8-175.7158.400113.3P146 K150 N151 H152P146-E148 VanDerWaalsContact C-N 3.28Å; P146-E148 PolarHBondContact O-N 3.47Å; E148-K150 VanDerWaalsContact C-N 3.32Å; E148-K150 PolarHBondContact O-N 3.37Å; E148-N151 PolarHBondContact O-N 2.99Å; E148-H152 PolarHBondContact O-N 3.23Å; E148-H152 VanDerWaalsContact O-N 3.16Å
149G57Low73.7Confident69 Ų6986.5 Ų86.571%0.71152%0.521SS*.Hα-helixtrans-62.2-29.2-179.300000115.5K147K147-G149 PolarHBondContact O-N 3.26Å; K147-G149 VanDerWaalsContact O-N 3.09Å
150K56.6Low73.3Confident94 Ų9487.8 Ų87.841%0.40951%0.512SS..Hα-helixtrans-86-35.8174.2-76.4-173.1-175.2177.40112.2K147 E148 H152 S153 Q154 D167K147-K150 PolarHBondContact O-N 2.84Å; K147-K150 VanDerWaalsContact O-N 3.12Å; E148-K150 VanDerWaalsContact C-N 3.32Å; E148-K150 PolarHBondContact O-N 3.37Å; K150-H152 VanDerWaalsContact C-N 3.28Å; K150-H152 PolarHBondContact O-N 2.94Å; K150-S153 WeakPolarHBondContact CA-OG 3Å; K150-S153 PolarHBondContact O-N 3.37Å; K150-S153 VanDerWaalsContact O-N 3.13Å; K150-S153 PolarHBondContact O-OG 3.25Å; K150-Q154 PolarHBondContact O-N 3.45Å; K150-D167 IonicContact NZ-OD1 3.79Å; K150-D167 IonicContact NZ-OD2 3.1Å; K150-D167 PolarHBondContact NZ-OD2 3.24Å; K150-D167 VanDerWaalsContact NZ-OD2 3.1Å
151N56.8Low73Confident26 Ų2683.7 Ų83.714%0.13950%0.498CS..Hα-helixtrans-62.2-37-179.9-67.9-18.1000111.9E148 Q154 G155 C156 A162E148-N151 PolarHBondContact O-N 2.99Å; N151-Q154 PolarHBondContact O-N 3.36Å; N151-G155 PolarHBondContact O-N 3.22Å; N151-G155 VanDerWaalsContact O-N 3.14Å; N151-C156 PolarHBondContact O-N 3.33Å; N151-A162 PolarHBondContact OD1-N 2.89Å
152H55.1Low72.8Confident176 Ų17682.4 Ų82.482%0.81549%0.492SS*.Hα-helixtrans-69.7-34.5175.9-13380.4000112.6E148 K150 Q154E148-H152 PolarHBondContact O-N 3.23Å; E148-H152 VanDerWaalsContact O-N 3.16Å; K150-H152 VanDerWaalsContact C-N 3.28Å; K150-H152 PolarHBondContact O-N 2.94Å; H152-Q154 VanDerWaalsContact C-N 3.3Å; H152-Q154 PolarHBondContact O-N 2.88Å
153S59Low72.9Confident99 Ų9979.5 Ų79.569%0.69248%0.477SS*.Hα-helixtrans-71.2-22.9178.667.70000114K150K150-S153 WeakPolarHBondContact CA-OG 3Å; K150-S153 PolarHBondContact O-N 3.37Å; K150-S153 VanDerWaalsContact O-N 3.13Å; K150-S153 PolarHBondContact O-OG 3.25Å
154Q66.6Low73.1Confident93 Ų9381.1 Ų81.144%0.43548%0.483SS..Hα-helixtrans-106.4-2.9-178.8-145.1166.7-10.900113.1G66 K150 N151 H152G66-Q154 PolarHBondContact O-NE2 3.38Å; K150-Q154 PolarHBondContact O-N 3.45Å; N151-Q154 PolarHBondContact O-N 3.36Å; H152-Q154 VanDerWaalsContact C-N 3.3Å; H152-Q154 PolarHBondContact O-N 2.88Å
155G73.9Confident73.8Confident65 Ų6580.2 Ų80.267%0.6746%0.459SS*.THydrogen-bonded Turntrans68.329.9175.600000114.6N151N151-G155 PolarHBondContact O-N 3.22Å; N151-G155 VanDerWaalsContact O-N 3.14Å
156C83.9Confident74.8Confident20 Ų2075.1 Ų75.114%0.13544%0.435CS..PPolyproline II helixtrans-70.6142.7176.9-62.30000111.2C68 N151 Q160C68-C156 HydrophobicContact CB-CB 3.8Å; C68-C156 WeakPolarHBondContact CB-SG 3.38Å; C68-C156 WeakPolarHBondContact SG-CA 3.3Å; C68-C156 WeakPolarHBondContact SG-CB 3.22Å; C68-C156 CovalentContact SG-SG 2.05Å; C68-C156 PolarHBondContact SG-SG 3.25Å; N151-C156 PolarHBondContact O-N 3.33Å; C156-Q160 HydrophobicContact CB-CB 4.07Å
157G79.6Confident76Confident39 Ų3973.9 Ų73.940%0.40243%0.426SS..PPolyproline II helixtrans-70171-178.900000113.7G159 Q160G157-G159 PolarHBondContact O-N 2.88Å; G157-Q160 VanDerWaalsContact N-OE1 3.07Å; G157-Q160 WeakPolarHBondContact O-CB 3.5Å; G157-Q160 PolarHBondContact O-N 3.41Å
158E79.4Confident77.3Confident204 Ų20468 Ų6895%0.95340%0.4SS*.THydrogen-bonded Turntrans-55.1130.5176.8-69.8-173.7166.100111.5Q160E158-Q160 VanDerWaalsContact C-N 3.28Å; E158-Q160 PolarHBondContact O-N 3.27Å
159G78.1Confident79.1Confident74 Ų7460.7 Ų60.776%0.76337%0.366SS*.THydrogen-bonded Turntrans76.94.5-177.900000115.6G157G157-G159 PolarHBondContact O-N 2.88Å
160Q86.6Confident81Confident82 Ų8257.8 Ų57.838%0.38333%0.334SS..EExtended strand (participates in β ladder)trans-103.5154.3175.2-60.1-176.1-36.800112.1A69 C156 G157 E158A69-Q160 WeakPolarHBondContact O-CA 3.32Å; C156-Q160 HydrophobicContact CB-CB 4.07Å; G157-Q160 VanDerWaalsContact N-OE1 3.07Å; G157-Q160 WeakPolarHBondContact O-CB 3.5Å; G157-Q160 PolarHBondContact O-N 3.41Å; E158-Q160 VanDerWaalsContact C-N 3.28Å; E158-Q160 PolarHBondContact O-N 3.27Å
161V88.8Confident82.8Confident17 Ų1754.6 Ų54.610%0.10332%0.322CS..EExtended strand (participates in β ladder)trans-129149.9175.1-60.60000110.1A69 C71 P146 C163 V168A69-V161 PolarHBondContact N-O 3.48Å; A69-V161 PolarHBondContact O-N 2.92Å; C71-V161 HydrophobicContact CB-CG1 4.46Å; C71-V161 HydrophobicContact CB-CG2 4.02Å; P146-V161 HydrophobicContact CB-CG1 4.17Å; V161-C163 PolarHBondContact O-N 2.87Å; V161-V168 HydrophobicContact CG2-CG1 4.08Å
162A90.6Very high84.7Confident5 Ų556.3 Ų56.34%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-62.4117.2165.600000108.9N151 L164N151-A162 PolarHBondContact OD1-N 2.89Å; A162-L164 PolarHBondContact O-N 2.87Å
163C92.8Very high86.7Confident0 Ų047.9 Ų47.90%029%0.292CS..  trans-79.285.7-170.2-175.90000111.8F67 A69 C74 V161F67-C163 HydrophobicContact CD1-CB 3.91Å; F67-C163 HydrophobicContact CE1-CB 3.69Å; F67-C163 HydrophobicContact CZ-CB 4.31Å; F67-C163 WeakPolarHBondContact O-CB 3.47Å; F67-C163 PolarHBondContact O-N 3.4Å; A69-C163 HydrophobicContact CB-CB 4.2Å; C74-C163 WeakPolarHBondContact CA-SG 3.46Å; C74-C163 HydrophobicContact CB-CB 3.8Å; C74-C163 WeakPolarHBondContact CB-SG 3.5Å; C74-C163 WeakPolarHBondContact SG-CA 3.18Å; C74-C163 WeakPolarHBondContact SG-CB 3.3Å; C74-C163 CovalentContact SG-SG 2.03Å; C74-C163 PolarHBondContact SG-SG 2.9Å; V161-C163 PolarHBondContact O-N 2.87Å
164L92.4Very high88.5Confident58 Ų5843.4 Ų43.430%0.30426%0.26SS..  trans-118.4136.2176.3-64173.5000110.1A162 E166 D167 V168A162-L164 PolarHBondContact O-N 2.87Å; L164-E166 PolarHBondContact O-N 2.99Å; L164-D167 HydrophobicContact CB-CB 4.18Å; L164-D167 PolarHBondContact O-N 3.44Å; L164-D167 VanDerWaalsContact O-N 3.09Å; L164-V168 PolarHBondContact O-N 2.92Å
165F93.6Very high90Very high53 Ų5339 Ų3923%0.23224%0.239CC..Hα-helixtrans-53.3-53.2-173.6-176.2-89.3000113.1I63 A78 D167 V168 V169 M171 M174I63-F165 HydrophobicContact CG2-CB 4.34Å; A78-F165 HydrophobicContact CB-CD2 3.89Å; A78-F165 HydrophobicContact CB-CE2 4.32Å; F165-D167 PolarHBondContact O-N 3.4Å; F165-V168 PolarHBondContact O-N 3.09Å; F165-V169 HydrophobicContact CD2-CG2 4.2Å; F165-V169 HydrophobicContact CE1-CB 4.25Å; F165-V169 HydrophobicContact CE1-CG1 4.47Å; F165-V169 HydrophobicContact CE2-CG2 4.02Å; F165-V169 HydrophobicContact CZ-CB 4.24Å; F165-V169 HydrophobicContact CZ-CG1 4.24Å; F165-V169 HydrophobicContact CZ-CG2 4.21Å; F165-V169 WeakPolarHBondContact O-CB 3.46Å; F165-V169 PolarHBondContact O-N 3.11Å; F165-M171 HydrophobicContact CD1-CE 4.42Å; F165-M171 HydrophobicContact CE1-CE 4.19Å; F165-M174 HydrophobicContact CE1-CE 4.1Å; F165-M174 HydrophobicContact CE1-CG 4.12Å; F165-M174 HydrophobicContact CE1-SD 4.16Å; F165-M174 HydrophobicContact CZ-CE 3.7Å; F165-M174 HydrophobicContact CZ-CG 4.25Å; F165-M174 HydrophobicContact CZ-SD 3.69Å
166E92.1Very high91.1Very high63 Ų6341.5 Ų41.529%0.29423%0.229SC..Hα-helixtrans-70.2-19.8-177.7-63.5-178.7-161.800113.5L164 M171L164-E166 PolarHBondContact O-N 2.99Å; E166-M171 HydrophobicContact CB-CE 4.28Å; E166-M171 HydrophobicContact CG-CE 3.97Å
167D90.3Very high91.8Very high34 Ų3443.6 Ų43.618%0.18224%0.236CC..Hα-helixtrans-83.3-30.3179-77-29.4000111.4N142 K147 K150 L164 F165N142-D167 VanDerWaalsContact CB-O 3.23Å; N142-D167 WeakPolarHBondContact CB-O 3.47Å; N142-D167 PolarHBondContact ND2-O 2.89Å; K147-D167 IonicContact NZ-OD1 2.8Å; K147-D167 PolarHBondContact NZ-OD1 2.91Å; K150-D167 IonicContact NZ-OD1 3.79Å; K150-D167 IonicContact NZ-OD2 3.1Å; K150-D167 PolarHBondContact NZ-OD2 3.24Å; K150-D167 VanDerWaalsContact NZ-OD2 3.1Å; L164-D167 HydrophobicContact CB-CB 4.18Å; L164-D167 PolarHBondContact O-N 3.44Å; L164-D167 VanDerWaalsContact O-N 3.09Å; F165-D167 PolarHBondContact O-N 3.4Å
168V93Very high92.7Very high3 Ų341.9 Ų41.92%0.01822%0.218CC..Hα-helixtrans-100-31.1178.6-600000114.4C74 L75 A78 N142 V161 L164 F165C74-V168 HydrophobicContact CB-CG1 4.36Å; L75-V168 HydrophobicContact CD1-CB 4.09Å; L75-V168 HydrophobicContact CD1-CG2 4.07Å; L75-V168 WeakPolarHBondContact CD1-O 3.38Å; A78-V168 HydrophobicContact CB-CG2 4.26Å; N142-V168 PolarHBondContact N-O 3.3Å; V161-V168 HydrophobicContact CG2-CG1 4.08Å; L164-V168 PolarHBondContact O-N 2.92Å; F165-V168 PolarHBondContact O-N 3.09Å
169V95.6Very high93.5Very high0 Ų032.9 Ų32.90%018%0.176CC..SBendtrans-98.7120-179.1-172.50000110.5L75 A78 F165 M171 Y173 M174L75-V169 HydrophobicContact CD1-CG2 4.04Å; A78-V169 HydrophobicContact CB-CG2 3.92Å; F165-V169 HydrophobicContact CD2-CG2 4.2Å; F165-V169 HydrophobicContact CE1-CB 4.25Å; F165-V169 HydrophobicContact CE1-CG1 4.47Å; F165-V169 HydrophobicContact CE2-CG2 4.02Å; F165-V169 HydrophobicContact CZ-CB 4.24Å; F165-V169 HydrophobicContact CZ-CG1 4.24Å; F165-V169 HydrophobicContact CZ-CG2 4.21Å; F165-V169 WeakPolarHBondContact O-CB 3.46Å; F165-V169 PolarHBondContact O-N 3.11Å; V169-M171 WeakPolarHBondContact O-CE 3.22Å; V169-Y173 HydrophobicContact CG1-CD1 3.89Å; V169-Y173 HydrophobicContact CG1-CE1 4.35Å; V169-M174 HydrophobicContact CG1-CG 3.76Å; V169-M174 HydrophobicContact CG1-SD 3.88Å
170P95.4Very high94.5Very high8 Ų832.8 Ų32.85%0.05215%0.154CC..  trans-64.9135.6179.1-22.133.8000113W140 N172 Y173 M174W140-P170 WeakPolarHBondContact O-CD 3.5Å; W140-P170 WeakPolarHBondContact O-CG 3.45Å; P170-N172 VanDerWaalsContact C-N 3.32Å; P170-N172 WeakPolarHBondContact CB-OD1 3.44Å; P170-N172 PolarHBondContact O-N 3.05Å; P170-Y173 WeakPolarHBondContact O-CB 3.5Å; P170-Y173 PolarHBondContact O-N 2.89Å; P170-M174 PolarHBondContact O-N 3.3Å
171M94.8Very high95Very high28 Ų2831.2 Ų31.214%0.13816%0.155CC..Hα-helixtrans-67.6-29.7178-73.2-58.2105.700113.4F165 E166 V169 Y173 M174 V175 T253 F254F165-M171 HydrophobicContact CD1-CE 4.42Å; F165-M171 HydrophobicContact CE1-CE 4.19Å; E166-M171 HydrophobicContact CB-CE 4.28Å; E166-M171 HydrophobicContact CG-CE 3.97Å; V169-M171 WeakPolarHBondContact O-CE 3.22Å; M171-Y173 VanDerWaalsContact C-N 3.32Å; M171-Y173 PolarHBondContact O-N 3.12Å; M171-M174 HydrophobicContact CE-CB 4.49Å; M171-M174 HydrophobicContact CE-CG 4.07Å; M171-M174 PolarHBondContact O-N 2.96Å; M171-V175 WeakPolarHBondContact O-CB 3.4Å; M171-V175 WeakPolarHBondContact O-CG2 3.5Å; M171-V175 PolarHBondContact O-N 3.45Å; M171-T253 HydrophobicContact CG-CG2 4.44Å; M171-F254 HydrophobicContact CB-CB 4.22Å; M171-F254 HydrophobicContact CB-CD2 3.67Å; M171-F254 HydrophobicContact CB-CG 4.3Å
172N96.4Very high95.4Very high61 Ų6131 Ų3133%0.32616%0.155SC..Hα-helixtrans-63.6-37.6174.762.4-3.5000112.1W140 P170 Y176 F254W140-N172 PolarHBondContact NE1-OD1 3.23Å; P170-N172 VanDerWaalsContact C-N 3.32Å; P170-N172 WeakPolarHBondContact CB-OD1 3.44Å; P170-N172 PolarHBondContact O-N 3.05Å; N172-Y176 HydrophobicContact CB-CD2 4.21Å; N172-Y176 WeakPolarHBondContact O-CB 3.46Å; N172-Y176 PolarHBondContact O-N 3.48Å; N172-F254 HydrophobicContact CB-CE2 3.83Å; N172-F254 HydrophobicContact CB-CZ 3.93Å
173Y97.2Very high95.6Very high0 Ų030.9 Ų30.90%015%0.153CC..Iπ-helixtrans-63.7-48.4171165.9-94.5000110.5L82 I132 G133 T135 P136 W140 V169 P170 M171 V175 F177 N178L82-Y173 HydrophobicContact CD1-CE1 3.75Å; I132-Y173 PolarHBondContact O-OH 3.5Å; G133-Y173 PolarHBondContact O-OH 3.32Å; T135-Y173 HydrophobicContact CG2-CD2 4.45Å; T135-Y173 HydrophobicContact CG2-CE2 4.09Å; P136-Y173 HydrophobicContact CG-CD1 3.77Å; P136-Y173 HydrophobicContact CG-CD2 4.18Å; P136-Y173 HydrophobicContact CG-CE1 3.5Å; P136-Y173 VanDerWaalsContact CG-CE1 3.5Å; P136-Y173 HydrophobicContact CG-CE2 3.93Å; P136-Y173 HydrophobicContact CG-CG 4.11Å; W140-Y173 HydrophobicContact CD2-CD2 4.24Å; W140-Y173 HydrophobicContact CE3-CD2 4.13Å; W140-Y173 HydrophobicContact CZ3-CD2 4.44Å; V169-Y173 HydrophobicContact CG1-CD1 3.89Å; V169-Y173 HydrophobicContact CG1-CE1 4.35Å; P170-Y173 WeakPolarHBondContact O-CB 3.5Å; P170-Y173 PolarHBondContact O-N 2.89Å; M171-Y173 VanDerWaalsContact C-N 3.32Å; M171-Y173 PolarHBondContact O-N 3.12Å; Y173-V175 VanDerWaalsContact C-N 3.33Å; Y173-V175 PolarHBondContact O-N 2.98Å; Y173-F177 HydrophobicContact CD2-CB 4.16Å; Y173-F177 AromaticContact CD2-CD1 3.81Å; Y173-F177 HydrophobicContact CD2-CD1 3.81Å; Y173-F177 HydrophobicContact CD2-CG 4.31Å; Y173-F177 AromaticContact CE2-CD1 3.34Å; Y173-F177 HydrophobicContact CE2-CD1 3.34Å; Y173-F177 AromaticContact CE2-CE1 3.89Å; Y173-F177 HydrophobicContact CE2-CE1 3.89Å; Y173-F177 HydrophobicContact CE2-CG 4.27Å; Y173-F177 WeakPolarHBondContact O-CB 3.39Å; Y173-F177 PolarHBondContact O-N 2.82Å; Y173-N178 HydrophobicContact CE1-CB 4.31Å; Y173-N178 PolarHBondContact O-N 3.48Å
174M97.6Very high95.8Very high5 Ų533.6 Ų33.63%0.02517%0.167CC..Iπ-helixtrans-62.4-36.9-178.9-71.7-58-62.800113.4L82 F165 V169 P170 M171 N178 F179L82-M174 HydrophobicContact CD1-SD 3.94Å; L82-M174 HydrophobicContact CD2-CE 4.03Å; L82-M174 HydrophobicContact CD2-SD 4.35Å; F165-M174 HydrophobicContact CE1-CE 4.1Å; F165-M174 HydrophobicContact CE1-CG 4.12Å; F165-M174 HydrophobicContact CE1-SD 4.16Å; F165-M174 HydrophobicContact CZ-CE 3.7Å; F165-M174 HydrophobicContact CZ-CG 4.25Å; F165-M174 HydrophobicContact CZ-SD 3.69Å; V169-M174 HydrophobicContact CG1-CG 3.76Å; V169-M174 HydrophobicContact CG1-SD 3.88Å; P170-M174 PolarHBondContact O-N 3.3Å; M171-M174 HydrophobicContact CE-CB 4.49Å; M171-M174 HydrophobicContact CE-CG 4.07Å; M171-M174 PolarHBondContact O-N 2.96Å; M174-N178 WeakPolarHBondContact O-CB 3.49Å; M174-N178 HydrophobicContact SD-CB 4.47Å; M174-F179 WeakPolarHBondContact O-CB 3.41Å; M174-F179 PolarHBondContact O-N 3.23Å
175V97.9Very high96Very high1 Ų134.3 Ų34.31%0.00617%0.174CC..Iπ-helixtrans-87-57.5-176.51740000112M171 Y173 F179 F180 N250 F254 F255M171-V175 WeakPolarHBondContact O-CB 3.4Å; M171-V175 WeakPolarHBondContact O-CG2 3.5Å; M171-V175 PolarHBondContact O-N 3.45Å; Y173-V175 VanDerWaalsContact C-N 3.33Å; Y173-V175 PolarHBondContact O-N 2.98Å; V175-F179 WeakPolarHBondContact O-CB 3.45Å; V175-F180 HydrophobicContact CG1-CE1 4.46Å; V175-F180 HydrophobicContact CG1-CE2 4.02Å; V175-F180 HydrophobicContact CG1-CZ 3.96Å; V175-F180 WeakPolarHBondContact O-CG 3.28Å; V175-F180 PolarHBondContact O-N 3.41Å; V175-N250 HydrophobicContact CG2-CB 4.26Å; V175-F254 HydrophobicContact CB-CD1 4.17Å; V175-F254 HydrophobicContact CB-CG 4.46Å; V175-F254 HydrophobicContact CG1-CD1 4.1Å; V175-F254 HydrophobicContact CG2-CB 3.78Å; V175-F254 HydrophobicContact CG2-CD1 4.2Å; V175-F254 HydrophobicContact CG2-CG 4.09Å; V175-F255 HydrophobicContact CG1-CE2 3.54Å; V175-F255 HydrophobicContact CG1-CZ 3.72Å
176Y97.9Very high96.1Very high117 Ų11732.4 Ų32.446%0.45917%0.167SC..Iπ-helixtrans-77-49.2-172.5-65.4-55.7000112.5N172 F180 A181 F254 F255N172-Y176 HydrophobicContact CB-CD2 4.21Å; N172-Y176 WeakPolarHBondContact O-CB 3.46Å; N172-Y176 PolarHBondContact O-N 3.48Å; Y176-F180 AromaticContact CD1-CD2 3.84Å; Y176-F180 HydrophobicContact CD1-CD2 3.84Å; Y176-F180 AromaticContact CD1-CE2 3.94Å; Y176-F180 HydrophobicContact CD1-CE2 3.94Å; Y176-F180 HydrophobicContact CE1-CD2 4.48Å; Y176-F180 HydrophobicContact CE1-CE2 4.17Å; Y176-F180 WeakPolarHBondContact O-CB 3.36Å; Y176-A181 PolarHBondContact O-N 3.39Å; Y176-A181 VanDerWaalsContact O-N 3.17Å; Y176-F254 HydrophobicContact CD2-CE1 4.27Å; Y176-F254 HydrophobicContact CD2-CZ 4.37Å; Y176-F254 HydrophobicContact CE1-CE1 4.49Å; Y176-F254 AromaticContact CE2-CE1 3.43Å; Y176-F254 HydrophobicContact CE2-CE1 3.43Å; Y176-F254 VanDerWaalsContact CE2-CE1 3.43Å; Y176-F254 AromaticContact CE2-CZ 3.59Å; Y176-F254 HydrophobicContact CE2-CZ 3.59Å; Y176-F254 AromaticContact CZ-CE1 3.58Å; Y176-F255 HydrophobicContact CE1-CE1 4.18Å; Y176-F255 AromaticContact CE1-CZ 3.9Å; Y176-F255 HydrophobicContact CE1-CZ 3.9Å
177F97.9Very high96.1Very high64 Ų6430.3 Ų30.328%0.28116%0.158SC..Iπ-helixtrans-82.4-59.9-174.7-174-100.3000110.8I132 W140 Y173 A181 C182I132-F177 HydrophobicContact CG2-CE1 3.9Å; I132-F177 HydrophobicContact CG2-CZ 4.48Å; W140-F177 HydrophobicContact CH2-CB 4.19Å; W140-F177 HydrophobicContact CZ3-CB 4.29Å; W140-F177 HydrophobicContact CZ3-CG 4.4Å; Y173-F177 HydrophobicContact CD2-CB 4.16Å; Y173-F177 AromaticContact CD2-CD1 3.81Å; Y173-F177 HydrophobicContact CD2-CD1 3.81Å; Y173-F177 HydrophobicContact CD2-CG 4.31Å; Y173-F177 AromaticContact CE2-CD1 3.34Å; Y173-F177 HydrophobicContact CE2-CD1 3.34Å; Y173-F177 AromaticContact CE2-CE1 3.89Å; Y173-F177 HydrophobicContact CE2-CE1 3.89Å; Y173-F177 HydrophobicContact CE2-CG 4.27Å; Y173-F177 WeakPolarHBondContact O-CB 3.39Å; Y173-F177 PolarHBondContact O-N 2.82Å; F177-A181 WeakPolarHBondContact O-CB 3.34Å; F177-A181 PolarHBondContact O-N 2.98Å; F177-C182 WeakPolarHBondContact O-CB 3.35Å; F177-C182 PolarHBondContact O-N 3.32Å; F177-C182 PolarHBondContact O-SG 2.92Å; F177-C182 VanDerWaalsContact O-SG 3.37Å
178N97.6Very high96.4Very high3 Ų333.5 Ų33.52%0.01617%0.174CC..Iπ-helixtrans-66.5-55.7-176-175.7-91.7000111.5Y173 M174 C182 V183 H247Y173-N178 HydrophobicContact CE1-CB 4.31Å; Y173-N178 PolarHBondContact O-N 3.48Å; M174-N178 WeakPolarHBondContact O-CB 3.49Å; M174-N178 HydrophobicContact SD-CB 4.47Å; N178-C182 CarbonylContact O-C 3.57Å; N178-C182 WeakPolarHBondContact O-CA 3.5Å; N178-C182 VanDerWaalsContact O-CB 3.29Å; N178-C182 WeakPolarHBondContact O-CB 3.22Å; N178-C182 PolarHBondContact O-N 3.06Å; N178-V183 VanDerWaalsContact O-CG2 3.27Å; N178-V183 WeakPolarHBondContact O-CG2 3.47Å; N178-V183 PolarHBondContact O-N 2.79Å; N178-H247 PolarHBondContact OD1-CE1 3.22Å
179F97.9Very high96.4Very high15 Ų1537.9 Ų37.97%0.06620%0.197CC..Iπ-helixtrans-74.5-62.4-176.5179.5-141.7000113.1M174 V175 V183 L184 L244 H247M174-F179 WeakPolarHBondContact O-CB 3.41Å; M174-F179 PolarHBondContact O-N 3.23Å; V175-F179 WeakPolarHBondContact O-CB 3.45Å; F179-V183 HydrophobicContact CD2-CB 4.16Å; F179-V183 HydrophobicContact CD2-CG1 4.21Å; F179-V183 WeakPolarHBondContact O-CB 3.25Å; F179-V183 PolarHBondContact O-N 2.76Å; F179-L184 HydrophobicContact CE2-CB 4.3Å; F179-L184 WeakPolarHBondContact O-CB 3.34Å; F179-L184 PolarHBondContact O-N 3.35Å; F179-L244 HydrophobicContact CE2-CD2 3.74Å; F179-L244 HydrophobicContact CZ-CD2 3.95Å; F179-H247 HydrophobicContact CB-CB 4.32Å; F179-H247 HydrophobicContact CD1-CB 3.85Å; F179-H247 HydrophobicContact CD2-CB 3.48Å; F179-H247 VanDerWaalsContact CD2-CB 3.48Å; F179-H247 AromaticContact CD2-CD2 3.77Å; F179-H247 AromaticContact CD2-CG 3.38Å; F179-H247 AromaticContact CD2-ND1 3.74Å; F179-H247 HydrophobicContact CE1-CB 3.95Å; F179-H247 HydrophobicContact CE2-CB 3.62Å; F179-H247 AromaticContact CE2-CG 3.9Å; F179-H247 HydrophobicContact CG-CB 3.62Å; F179-H247 AromaticContact CG-CG 3.71Å; F179-H247 AromaticContact CG-ND1 3.75Å; F179-H247 HydrophobicContact CZ-CB 3.85Å
180F97.9Very high96.3Very high72 Ų7237.9 Ų37.932%0.31620%0.197SC..Iπ-helixtrans-67.4-50.3-172.6-64-17.8000112.8V175 Y176 L184 V185 F255V175-F180 HydrophobicContact CG1-CE1 4.46Å; V175-F180 HydrophobicContact CG1-CE2 4.02Å; V175-F180 HydrophobicContact CG1-CZ 3.96Å; V175-F180 WeakPolarHBondContact O-CG 3.28Å; V175-F180 PolarHBondContact O-N 3.41Å; Y176-F180 AromaticContact CD1-CD2 3.84Å; Y176-F180 HydrophobicContact CD1-CD2 3.84Å; Y176-F180 AromaticContact CD1-CE2 3.94Å; Y176-F180 HydrophobicContact CD1-CE2 3.94Å; Y176-F180 HydrophobicContact CE1-CD2 4.48Å; Y176-F180 HydrophobicContact CE1-CE2 4.17Å; Y176-F180 WeakPolarHBondContact O-CB 3.36Å; F180-L184 HydrophobicContact CD1-CD2 4.16Å; F180-V185 WeakPolarHBondContact O-CG2 2.87Å; F180-V185 PolarHBondContact O-N 2.93Å; F180-F255 HydrophobicContact CE2-CE2 4.36Å; F180-F255 HydrophobicContact CE2-CZ 4.08Å; F180-F255 AromaticContact CZ-CE2 3.97Å; F180-F255 HydrophobicContact CZ-CE2 3.97Å; F180-F255 HydrophobicContact CZ-CZ 4.16Å
181A97.5Very high96.1Very high49 Ų4942 Ų4241%0.40522%0.218SC..Iπ-helixtrans-78.4-46.8-176.400000112.7Y176 F177 P186Y176-A181 PolarHBondContact O-N 3.39Å; Y176-A181 VanDerWaalsContact O-N 3.17Å; F177-A181 WeakPolarHBondContact O-CB 3.34Å; F177-A181 PolarHBondContact O-N 2.98Å; A181-P186 WeakPolarHBondContact O-CD 3.45Å
182C97.1Very high96Very high13 Ų1342.2 Ų42.29%0.08823%0.227CC..Iπ-helixtrans-93.3-20.2-169.1-64.40000114.9I132 F177 N178 P186I132-C182 HydrophobicContact CG2-CB 4.17Å; F177-C182 WeakPolarHBondContact O-CB 3.35Å; F177-C182 PolarHBondContact O-N 3.32Å; F177-C182 PolarHBondContact O-SG 2.92Å; F177-C182 VanDerWaalsContact O-SG 3.37Å; N178-C182 CarbonylContact O-C 3.57Å; N178-C182 WeakPolarHBondContact O-CA 3.5Å; N178-C182 VanDerWaalsContact O-CB 3.29Å; N178-C182 WeakPolarHBondContact O-CB 3.22Å; N178-C182 PolarHBondContact O-N 3.06Å; C182-P186 WeakPolarHBondContact O-CG 3.16Å
183V95.3Very high95.8Very high1 Ų140.7 Ų40.71%0.00622%0.22CC..Iπ-helixtrans-110.9-55.3179.8175.80000111.7I89 N178 F179 P186 L187I89-V183 HydrophobicContact CD1-CB 4.23Å; I89-V183 HydrophobicContact CD1-CG1 4.35Å; I89-V183 HydrophobicContact CD1-CG2 3.68Å; N178-V183 VanDerWaalsContact O-CG2 3.27Å; N178-V183 WeakPolarHBondContact O-CG2 3.47Å; N178-V183 PolarHBondContact O-N 2.79Å; F179-V183 HydrophobicContact CD2-CB 4.16Å; F179-V183 HydrophobicContact CD2-CG1 4.21Å; F179-V183 WeakPolarHBondContact O-CB 3.25Å; F179-V183 PolarHBondContact O-N 2.76Å; V183-P186 WeakPolarHBondContact O-CD 3.4Å; V183-L187 HydrophobicContact CG1-CD1 3.71Å; V183-L187 WeakPolarHBondContact O-CB 3.17Å; V183-L187 VanDerWaalsContact O-CG 3.27Å; V183-L187 WeakPolarHBondContact O-CG 3.38Å; V183-L187 PolarHBondContact O-N 3.06Å
184L95.9Very high95.4Very high57 Ų5741.1 Ų41.130%0.29822%0.222SC..Iπ-helixtrans-68.2-46.4-172.5-177.762.2000112.1F179 F180 L187 L188F179-L184 HydrophobicContact CE2-CB 4.3Å; F179-L184 WeakPolarHBondContact O-CB 3.34Å; F179-L184 PolarHBondContact O-N 3.35Å; F180-L184 HydrophobicContact CD1-CD2 4.16Å; L184-L187 PolarHBondContact O-N 3.06Å; L184-L188 HydrophobicContact CD1-CD1 4.34Å; L184-L188 HydrophobicContact CD1-CG 4.25Å; L184-L188 HydrophobicContact CG-CD1 4.11Å; L184-L188 HydrophobicContact CG-CG 4.43Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.23Å; L184-L188 PolarHBondContact O-N 3.11Å
185V96.8Very high95Very high74 Ų7445.3 Ų45.345%0.44824%0.244SC..Hα-helixtrans-58.6-51.2177.4167.30000111.5F180 L187 L188 L189F180-V185 WeakPolarHBondContact O-CG2 2.87Å; F180-V185 PolarHBondContact O-N 2.93Å; V185-L187 VanDerWaalsContact C-N 3.33Å; V185-L187 PolarHBondContact O-N 3.16Å; V185-L188 PolarHBondContact O-N 3.26Å; V185-L189 HydrophobicContact CG1-CD1 4.14Å; V185-L189 HydrophobicContact CG1-CG 4.46Å; V185-L189 WeakPolarHBondContact O-CG 3.23Å; V185-L189 PolarHBondContact O-N 3.41Å
186P95.3Very high94.6Very high13 Ų1353.3 Ų53.38%0.08427%0.274CS..Hα-helixtrans-58.9-37.9174.1-30.940000114.4I89 A181 C182 V183 L189 M190I89-P186 HydrophobicContact CG2-CB 3.48Å; I89-P186 VanDerWaalsContact CG2-CB 3.48Å; I89-P186 HydrophobicContact CG2-CG 3.98Å; A181-P186 WeakPolarHBondContact O-CD 3.45Å; C182-P186 WeakPolarHBondContact O-CG 3.16Å; V183-P186 WeakPolarHBondContact O-CD 3.4Å; P186-L189 PolarHBondContact O-N 2.94Å; P186-M190 WeakPolarHBondContact O-CG 3.49Å; P186-M190 PolarHBondContact O-N 2.89Å
187L93.4Very high94.1Very high18 Ų1847.8 Ų47.89%0.09425%0.253CS..Hα-helixtrans-63.1-43.2175.6-75.7169.4000112.2V183 L184 V185 L189 M190 L191 V236 F239 A240V183-L187 HydrophobicContact CG1-CD1 3.71Å; V183-L187 WeakPolarHBondContact O-CB 3.17Å; V183-L187 VanDerWaalsContact O-CG 3.27Å; V183-L187 WeakPolarHBondContact O-CG 3.38Å; V183-L187 PolarHBondContact O-N 3.06Å; L184-L187 PolarHBondContact O-N 3.06Å; V185-L187 VanDerWaalsContact C-N 3.33Å; V185-L187 PolarHBondContact O-N 3.16Å; L187-L189 VanDerWaalsContact C-N 3.35Å; L187-M190 HydrophobicContact CD2-CE 3.64Å; L187-M190 HydrophobicContact CG-CE 4.23Å; L187-M190 PolarHBondContact O-N 3.36Å; L187-L191 WeakPolarHBondContact O-CB 3.45Å; L187-L191 PolarHBondContact O-N 2.91Å; L187-V236 HydrophobicContact CD2-CG1 4.16Å; L187-F239 HydrophobicContact CD2-CD1 3.93Å; L187-F239 HydrophobicContact CD2-CE1 4.41Å; L187-A240 HydrophobicContact CD1-CB 4.48Å; L187-A240 HydrophobicContact CD2-CB 4.32Å
188L94.9Very high93.6Very high101 Ų10147.6 Ų47.653%0.52925%0.252SS..Hα-helixtrans-65-39.1175.6-67.7174.6000111.8L184 V185 L191 G192L184-L188 HydrophobicContact CD1-CD1 4.34Å; L184-L188 HydrophobicContact CD1-CG 4.25Å; L184-L188 HydrophobicContact CG-CD1 4.11Å; L184-L188 HydrophobicContact CG-CG 4.43Å; L184-L188 VanDerWaalsContact O-CG 3.31Å; L184-L188 WeakPolarHBondContact O-CG 3.23Å; L184-L188 PolarHBondContact O-N 3.11Å; V185-L188 PolarHBondContact O-N 3.26Å; L188-L191 PolarHBondContact O-N 3.45Å; L188-G192 PolarHBondContact O-N 3.19Å
189L94.9Very high93.2Very high96 Ų9651.6 Ų51.650%0.50327%0.273SS..Hα-helixtrans-62.5-47.7173.8-70.1174.9000111.4L93 V185 P186 L187 L191 G192 V193L93-L189 HydrophobicContact CD1-CB 4.32Å; V185-L189 HydrophobicContact CG1-CD1 4.14Å; V185-L189 HydrophobicContact CG1-CG 4.46Å; V185-L189 WeakPolarHBondContact O-CG 3.23Å; V185-L189 PolarHBondContact O-N 3.41Å; P186-L189 PolarHBondContact O-N 2.94Å; L187-L189 VanDerWaalsContact C-N 3.35Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L189-L191 PolarHBondContact O-N 3.41Å; L189-G192 PolarHBondContact O-N 3.38Å; L189-V193 VanDerWaalsContact O-CG2 3.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.5Å; L189-V193 PolarHBondContact O-N 2.86Å
190M92.9Very high92.6Very high0 Ų051.2 Ų51.20%027%0.272CS..Hα-helixtrans-59.2-45.2175.8-73.9-172.3-77.200111.5L92 L93 A96 P186 L187 G192 V193 Y194 V236L92-M190 VanDerWaalsContact C-SD 3.56Å; L92-M190 HydrophobicContact CB-CE 4.38Å; L92-M190 HydrophobicContact CB-SD 3.63Å; L93-M190 HydrophobicContact CB-CG 4.17Å; L93-M190 HydrophobicContact CB-SD 4.24Å; L93-M190 HydrophobicContact CD1-CG 3.65Å; L93-M190 PolarHBondContact N-SD 3.48Å; A96-M190 HydrophobicContact CB-CG 4.2Å; P186-M190 WeakPolarHBondContact O-CG 3.49Å; P186-M190 PolarHBondContact O-N 2.89Å; L187-M190 HydrophobicContact CD2-CE 3.64Å; L187-M190 HydrophobicContact CG-CE 4.23Å; L187-M190 PolarHBondContact O-N 3.36Å; M190-G192 PolarHBondContact O-N 3.45Å; M190-V193 PolarHBondContact O-N 3.34Å; M190-Y194 WeakPolarHBondContact O-CD2 3.36Å; M190-Y194 PolarHBondContact O-N 3.31Å; M190-V236 HydrophobicContact CB-CG1 4.12Å; M190-V236 HydrophobicContact CE-CG1 4.14Å; M190-V236 HydrophobicContact SD-CG1 4.09Å; M190-V236 HydrophobicContact SD-CG2 3.87Å
191L91.8Very high91.9Very high93 Ų9347.9 Ų47.949%0.48726%0.258SS..Hα-helixtrans-58.1-48.9175.8178.162.1000111.1L187 L188 L189 V193 Y194 L195L187-L191 WeakPolarHBondContact O-CB 3.45Å; L187-L191 PolarHBondContact O-N 2.91Å; L188-L191 PolarHBondContact O-N 3.45Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L189-L191 PolarHBondContact O-N 3.41Å; L191-V193 VanDerWaalsContact C-N 3.32Å; L191-V193 PolarHBondContact O-N 3.18Å; L191-Y194 PolarHBondContact O-N 2.9Å; L191-L195 HydrophobicContact CD1-CD1 4.19Å; L191-L195 HydrophobicContact CD1-CG 4.15Å; L191-L195 HydrophobicContact CG-CD1 4.02Å; L191-L195 HydrophobicContact CG-CG 4.4Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.29Å; L191-L195 PolarHBondContact O-N 3.28Å
192G92.4Very high91.3Very high33 Ų3354.5 Ų54.534%0.3427%0.273SS..Hα-helixtrans-58.2-42.9176.800000112.6L188 L189 M190 R196L188-G192 PolarHBondContact O-N 3.19Å; L189-G192 PolarHBondContact O-N 3.38Å; M190-G192 PolarHBondContact O-N 3.45Å; G192-R196 WeakPolarHBondContact O-CB 3.48Å; G192-R196 WeakPolarHBondContact O-CG 3.41Å; G192-R196 PolarHBondContact O-N 2.93Å
193V91.3Very high90.7Very high29 Ų2962 Ų6218%0.17630%0.299CS..Hα-helixtrans-61.2-50.4175.5170.50000110.9A96 Y100 L189 M190 L191 L195 R196 I197A96-V193 HydrophobicContact CB-CG1 4.21Å; A96-V193 WeakPolarHBondContact O-CG1 3.32Å; Y100-V193 HydrophobicContact CD2-CG1 4.03Å; Y100-V193 HydrophobicContact CG-CG1 4.12Å; L189-V193 VanDerWaalsContact O-CG2 3.31Å; L189-V193 WeakPolarHBondContact O-CG2 3.5Å; L189-V193 PolarHBondContact O-N 2.86Å; M190-V193 PolarHBondContact O-N 3.34Å; L191-V193 VanDerWaalsContact C-N 3.32Å; L191-V193 PolarHBondContact O-N 3.18Å; V193-L195 PolarHBondContact O-N 3.42Å; V193-R196 WeakPolarHBondContact O-CB 3.41Å; V193-R196 PolarHBondContact O-N 3.42Å; V193-I197 HydrophobicContact CG1-CD1 4.04Å; V193-I197 WeakPolarHBondContact O-CG1 3.48Å; V193-I197 PolarHBondContact O-N 2.9Å
194Y88.6Confident90.1Very high9 Ų964.9 Ų64.94%0.03531%0.313CS..Hα-helixtrans-64-41.3179.2-79.3-64.5000112.7A96 M190 L191 R196 I197 F198 L232 A233 V236A96-Y194 HydrophobicContact CB-CE2 3.79Å; M190-Y194 WeakPolarHBondContact O-CD2 3.36Å; M190-Y194 PolarHBondContact O-N 3.31Å; L191-Y194 PolarHBondContact O-N 2.9Å; Y194-R196 VanDerWaalsContact C-N 3.3Å; Y194-R196 PolarHBondContact O-N 3.22Å; Y194-I197 HydrophobicContact CD1-CD1 4.14Å; Y194-I197 HydrophobicContact CE1-CD1 4.47Å; Y194-I197 WeakPolarHBondContact O-CB 3.44Å; Y194-I197 PolarHBondContact O-N 2.82Å; Y194-I197 VanDerWaalsContact O-N 3.13Å; Y194-F198 HydrophobicContact CD1-CE2 4.44Å; Y194-F198 WeakPolarHBondContact O-CD2 3.46Å; Y194-F198 PolarHBondContact O-N 3.34Å; Y194-L232 HydrophobicContact CE1-CB 4.15Å; Y194-L232 VanDerWaalsContact OH-CB 3.23Å; Y194-L232 WeakPolarHBondContact OH-CB 3.49Å; Y194-A233 HydrophobicContact CD1-CB 3.88Å; Y194-A233 HydrophobicContact CD2-CB 4.36Å; Y194-A233 HydrophobicContact CE1-CB 4.12Å; Y194-A233 HydrophobicContact CG-CB 4.03Å; Y194-V236 HydrophobicContact CE2-CB 4.33Å; Y194-V236 HydrophobicContact CE2-CG2 3.75Å
195L90Very high89.4Confident94 Ų9464.3 Ų64.349%0.49231%0.309SS..Hα-helixtrans-58.3-44.4174.3-71.7174.5000110.8L191 V193 I197 F198 L199L191-L195 HydrophobicContact CD1-CD1 4.19Å; L191-L195 HydrophobicContact CD1-CG 4.15Å; L191-L195 HydrophobicContact CG-CD1 4.02Å; L191-L195 HydrophobicContact CG-CG 4.4Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.29Å; L191-L195 PolarHBondContact O-N 3.28Å; V193-L195 PolarHBondContact O-N 3.42Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-I197 PolarHBondContact O-N 3.4Å; L195-F198 PolarHBondContact O-N 3.31Å; L195-L199 WeakPolarHBondContact O-CB 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.3Å; L195-L199 PolarHBondContact O-N 2.96Å
196R90.2Very high88.8Confident169 Ų16968.4 Ų68.464%0.63832%0.321SS*.Hα-helixtrans-63-38.7175.3-69.8-78.5-174164.21.4112.1Y100 G192 V193 Y194 A200Y100-R196 HydrophobicContact CE2-CB 3.99Å; G192-R196 WeakPolarHBondContact O-CB 3.48Å; G192-R196 WeakPolarHBondContact O-CG 3.41Å; G192-R196 PolarHBondContact O-N 2.93Å; V193-R196 WeakPolarHBondContact O-CB 3.41Å; V193-R196 PolarHBondContact O-N 3.42Å; Y194-R196 VanDerWaalsContact C-N 3.3Å; Y194-R196 PolarHBondContact O-N 3.22Å; R196-A200 WeakPolarHBondContact O-CB 3.45Å; R196-A200 PolarHBondContact O-N 3.5Å
197I87.6Confident88.2Confident1 Ų173.9 Ų73.91%0.00535%0.346CS..Hα-helixtrans-61.1-53.1174.5-68.4170000110.3R99 Y100 I103 V193 Y194 L195 L199 A200 A201 A229R99-I197 HydrophobicContact CB-CD1 4.34Å; Y100-I197 HydrophobicContact CD2-CG1 3.87Å; I103-I197 HydrophobicContact CD1-CG2 3.48Å; I103-I197 VanDerWaalsContact CD1-CG2 3.48Å; V193-I197 HydrophobicContact CG1-CD1 4.04Å; V193-I197 WeakPolarHBondContact O-CG1 3.48Å; V193-I197 PolarHBondContact O-N 2.9Å; Y194-I197 HydrophobicContact CD1-CD1 4.14Å; Y194-I197 HydrophobicContact CE1-CD1 4.47Å; Y194-I197 WeakPolarHBondContact O-CB 3.44Å; Y194-I197 PolarHBondContact O-N 2.82Å; Y194-I197 VanDerWaalsContact O-N 3.13Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-I197 PolarHBondContact O-N 3.4Å; I197-L199 PolarHBondContact O-N 3.48Å; I197-A200 PolarHBondContact O-N 3.45Å; I197-A201 WeakPolarHBondContact O-CB 3.39Å; I197-A201 PolarHBondContact O-N 3.33Å; I197-A229 HydrophobicContact CG2-CB 3.96Å
198F86.6Confident87.5Confident60 Ų6075 Ų7526%0.26335%0.351SS..Hα-helixtrans-63.5-41.6-178.1-69.6-59.7000112.1Y194 L195 A201 R202 V226 K230 A233Y194-F198 HydrophobicContact CD1-CE2 4.44Å; Y194-F198 WeakPolarHBondContact O-CD2 3.46Å; Y194-F198 PolarHBondContact O-N 3.34Å; L195-F198 PolarHBondContact O-N 3.31Å; F198-A201 PolarHBondContact O-N 2.89Å; F198-R202 WeakPolarHBondContact O-CB 3.47Å; F198-R202 WeakPolarHBondContact O-CG 3.27Å; F198-R202 PolarHBondContact O-N 3.09Å; F198-V226 HydrophobicContact CD1-CG1 4.47Å; F198-V226 HydrophobicContact CE1-CG1 4.45Å; F198-K230 HydrophobicContact CE1-CB 4.27Å; F198-K230 HydrophobicContact CZ-CB 4.38Å; F198-A233 HydrophobicContact CE2-CB 4.05Å; F198-A233 HydrophobicContact CZ-CB 4.02Å
199L88.5Confident86.7Confident87 Ų8776.9 Ų76.946%0.45536%0.357SS..Hα-helixtrans-64.5-42.3176.1-70173000111.8L195 I197 R202 R203L195-L199 WeakPolarHBondContact O-CB 3.27Å; L195-L199 WeakPolarHBondContact O-CG 3.3Å; L195-L199 PolarHBondContact O-N 2.96Å; I197-L199 PolarHBondContact O-N 3.48Å; L199-R202 PolarHBondContact O-N 3.08Å; L199-R203 WeakPolarHBondContact O-CG 3.45Å; L199-R203 PolarHBondContact O-N 3.49Å
200A85.8Confident85.8Confident7 Ų776.9 Ų76.96%0.05837%0.365CS..Hα-helixtrans-63.2-44.8177.100000111.8R196 I197 R202 R203 Q204R196-A200 WeakPolarHBondContact O-CB 3.45Å; R196-A200 PolarHBondContact O-N 3.5Å; I197-A200 PolarHBondContact O-N 3.45Å; A200-R202 PolarHBondContact O-N 3.06Å; A200-R203 PolarHBondContact O-N 2.93Å; A200-Q204 PolarHBondContact O-N 3.24Å
201A82.7Confident84.9Confident2 Ų283 Ų832%0.01739%0.394CS..Hα-helixtrans-64.1-41.4178.300000112.4I197 F198 R203 Q204 L205 L222 V226I197-A201 WeakPolarHBondContact O-CB 3.39Å; I197-A201 PolarHBondContact O-N 3.33Å; F198-A201 PolarHBondContact O-N 2.89Å; A201-R203 VanDerWaalsContact C-N 3.32Å; A201-R203 PolarHBondContact O-N 3.25Å; A201-Q204 PolarHBondContact O-N 3.4Å; A201-L205 WeakPolarHBondContact O-CG 3.48Å; A201-L205 PolarHBondContact O-N 2.96Å; A201-L222 HydrophobicContact CB-CD1 4.35Å; A201-V226 HydrophobicContact CB-CG2 3.33Å
202R85Confident83.4Confident188 Ų18884.5 Ų84.571%0.70941%0.409SS*.Hα-helixtrans-61.7-39.5174.7-74.3-175.874.4-175.93.5112.2F198 L199 A200 L205 K206F198-R202 WeakPolarHBondContact O-CB 3.47Å; F198-R202 WeakPolarHBondContact O-CG 3.27Å; F198-R202 PolarHBondContact O-N 3.09Å; L199-R202 PolarHBondContact O-N 3.08Å; A200-R202 PolarHBondContact O-N 3.06Å; R202-L205 PolarHBondContact O-N 3.33Å; R202-K206 PolarHBondContact O-N 2.86Å
203R85.6Confident82.2Confident169 Ų16990.3 Ų90.364%0.63843%0.431SS*.Hα-helixtrans-63.6-45.8175.8-72175.7-172.1-165.41.5111.7L199 A200 A201 L205 K206 Q207L199-R203 WeakPolarHBondContact O-CG 3.45Å; L199-R203 PolarHBondContact O-N 3.49Å; A200-R203 PolarHBondContact O-N 2.93Å; A201-R203 VanDerWaalsContact C-N 3.32Å; A201-R203 PolarHBondContact O-N 3.25Å; R203-L205 PolarHBondContact O-N 3.33Å; R203-K206 PolarHBondContact O-N 3.37Å; R203-Q207 WeakPolarHBondContact O-CG 3.42Å; R203-Q207 PolarHBondContact O-N 2.93Å
204Q82.3Confident80.9Confident63 Ų6391.4 Ų91.429%0.29444%0.439SS..Hα-helixtrans-62.3-42.1177.3-73.6176.2-14.900112.1A200 A201 Q207 M208 L222A200-Q204 PolarHBondContact O-N 3.24Å; A201-Q204 PolarHBondContact O-N 3.4Å; Q204-Q207 PolarHBondContact O-N 3.06Å; Q204-M208 VanDerWaalsContact O-CG 3.23Å; Q204-M208 WeakPolarHBondContact O-CG 3.45Å; Q204-M208 PolarHBondContact O-N 3.19Å; Q204-L222 HydrophobicContact CB-CD2 3.61Å; Q204-L222 VanDerWaalsContact OE1-CD1 3.28Å
205L81Confident80.1Confident44 Ų4493.2 Ų93.223%0.2346%0.461CS..Hα-helixtrans-62.8-42.2175.5-72.6170.7000112.3A201 R202 R203 M208 E209 R219 L222 Q223A201-L205 WeakPolarHBondContact O-CG 3.48Å; A201-L205 PolarHBondContact O-N 2.96Å; R202-L205 PolarHBondContact O-N 3.33Å; R203-L205 PolarHBondContact O-N 3.33Å; L205-M208 PolarHBondContact O-N 2.8Å; L205-E209 PolarHBondContact O-N 2.91Å; L205-E209 VanDerWaalsContact O-N 3.12Å; L205-R219 HydrophobicContact CD2-CG 4.15Å; L205-L222 HydrophobicContact CD2-CD2 3.87Å; L205-L222 HydrophobicContact CD2-CG 4.47Å; L205-L222 HydrophobicContact CG-CD2 3.82Å; L205-Q223 HydrophobicContact CD2-CG 4.45Å
206K84.7Confident79.4Confident161 Ų16197 Ų9770%0.748%0.476SS*.Hα-helixtrans-65.2-40177.1-169.7179.2-178.6-1770112.1R202 R203 E209 S210R202-K206 PolarHBondContact O-N 2.86Å; R203-K206 PolarHBondContact O-N 3.37Å; K206-E209 PolarHBondContact O-N 3.08Å; K206-S210 PolarHBondContact O-N 3.46Å; K206-S210 PolarHBondContact O-OG 3.05Å
207Q82.7Confident78.8Confident127 Ų12799 Ų9959%0.59348%0.484SS*.Hα-helixtrans-65.2-38.8176.1-75.5175.3-20.900112.3R203 Q204 E209 S210 Q211R203-Q207 WeakPolarHBondContact O-CG 3.42Å; R203-Q207 PolarHBondContact O-N 2.93Å; Q204-Q207 PolarHBondContact O-N 3.06Å; Q207-E209 VanDerWaalsContact C-N 3.29Å; Q207-E209 PolarHBondContact O-N 3.4Å; Q207-S210 PolarHBondContact O-N 3.17Å; Q207-S210 PolarHBondContact O-OG 3.24Å; Q207-Q211 PolarHBondContact O-N 2.96Å
208M77.8Confident78.4Confident42 Ų42101.4 Ų101.421%0.20750%0.504CS..Hα-helixtrans-66.2-31.5175.8-70.5171.2-172.800112.2Q204 L205 P214 L222Q204-M208 VanDerWaalsContact O-CG 3.23Å; Q204-M208 WeakPolarHBondContact O-CG 3.45Å; Q204-M208 PolarHBondContact O-N 3.19Å; L205-M208 PolarHBondContact O-N 2.8Å; M208-P214 HydrophobicContact CB-CB 4.21Å; M208-P214 WeakPolarHBondContact O-CB 3.31Å; M208-P214 WeakPolarHBondContact O-CG 3.39Å; M208-L222 HydrophobicContact CE-CD2 4.12Å; M208-L222 HydrophobicContact SD-CD2 4.3Å
209E78.8Confident78.1Confident140 Ų140103.1 Ų103.165%0.65451%0.508SS*.Hα-helixtrans-72.6-28.8176.8-169.1167-150.600113L205 K206 Q207L205-E209 PolarHBondContact O-N 2.91Å; L205-E209 VanDerWaalsContact O-N 3.12Å; K206-E209 PolarHBondContact O-N 3.08Å; Q207-E209 VanDerWaalsContact C-N 3.29Å; Q207-E209 PolarHBondContact O-N 3.4Å
210S75.4Confident77.8Confident97 Ų97101 Ų10168%0.67850%0.501SS*.Hα-helixtrans-80.9-10.6175.554.30000114.9K206 Q207K206-S210 PolarHBondContact O-N 3.46Å; K206-S210 PolarHBondContact O-OG 3.05Å; Q207-S210 PolarHBondContact O-N 3.17Å; Q207-S210 PolarHBondContact O-OG 3.24Å
211Q73.8Confident77.5Confident128 Ų128104 Ų10460%0.59852%0.519SS*.SBendtrans-93.7133.4176.8-100.5179.5-9.100110.7Q207 L213 P214Q207-Q211 PolarHBondContact O-N 2.96Å; Q211-L213 PolarHBondContact O-N 3.44Å; Q211-P214 VanDerWaalsContact O-CD 3.31Å; Q211-P214 WeakPolarHBondContact O-CD 3.41Å
212P61.5Low77.3Confident124 Ų124104.6 Ų104.681%0.80552%0.522SS*.SBendtrans-70.1-10.9-17523.4-31.1000115.2
213L66.3Low77.2Confident155 Ų155100.3 Ų100.381%0.81251%0.509SS*.  trans-135.379.9168.6-79.9100.9000111Q211 G215Q211-L213 PolarHBondContact O-N 3.44Å; L213-G215 PolarHBondContact O-N 3.45Å
214P63.5Low76.9Confident52 Ų5299.1 Ų99.134%0.33851%0.509SS..  trans-75.8115.6166.822.7-12.7000108.1M208 Q211 E216M208-P214 HydrophobicContact CB-CB 4.21Å; M208-P214 WeakPolarHBondContact O-CB 3.31Å; M208-P214 WeakPolarHBondContact O-CG 3.39Å; Q211-P214 VanDerWaalsContact O-CD 3.31Å; Q211-P214 WeakPolarHBondContact O-CD 3.41Å; P214-E216 PolarHBondContact O-N 2.94Å
215G72.1Confident76.7Confident48 Ų4899.5 Ų99.550%0.49551%0.511SS..  trans-57112.9171.800000110L213 R217 A218 R219L213-G215 PolarHBondContact O-N 3.45Å; G215-R217 PolarHBondContact O-N 3.29Å; G215-A218 WeakPolarHBondContact O-CB 3.3Å; G215-A218 PolarHBondContact O-N 3.33Å; G215-R219 PolarHBondContact O-N 3.42Å
216E76.1Confident76.7Confident173 Ų17399 Ų9981%0.80851%0.51SS*.Hα-helixtrans-50.7-30.3-178.8-68.1-173.5137.800112.6P214 S220P214-E216 PolarHBondContact O-N 2.94Å; E216-S220 WeakPolarHBondContact O-CB 3.13Å; E216-S220 PolarHBondContact O-N 2.88Å; E216-S220 PolarHBondContact O-OG 3.15Å
217R77.9Confident76.5Confident211 Ų21195.8 Ų95.880%0.79650%0.497SS*.Hα-helixtrans-65.6-37.5176.1-160.7172.2-174.8170.61.1113.3G215 S220 T221G215-R217 PolarHBondContact O-N 3.29Å; R217-S220 WeakPolarHBondContact CA-OG 3.34Å; R217-S220 PolarHBondContact O-OG 3.35Å; R217-S220 VanDerWaalsContact O-OG 3.05Å; R217-T221 WeakPolarHBondContact O-CB 3.44Å; R217-T221 PolarHBondContact O-N 3.46Å; R217-T221 VanDerWaalsContact O-N 3.14Å; R217-T221 PolarHBondContact O-OG1 2.96Å
218A78Confident76.3Confident52 Ų5291.6 Ų91.643%0.4348%0.484SS..Hα-helixtrans-71-44.5176.700000111.2G215 T221 L222G215-A218 WeakPolarHBondContact O-CB 3.3Å; G215-A218 PolarHBondContact O-N 3.33Å; A218-T221 PolarHBondContact O-N 2.85Å; A218-L222 PolarHBondContact O-N 3.24Å
219R79.8Confident76.4Confident95 Ų9589.7 Ų89.736%0.35847%0.474SS..Hα-helixtrans-60.8-47176.7-174.6177.4178131.8-3.1111.9L205 G215 T221 L222 Q223L205-R219 HydrophobicContact CD2-CG 4.15Å; G215-R219 PolarHBondContact O-N 3.42Å; R219-T221 VanDerWaalsContact C-N 3.35Å; R219-T221 PolarHBondContact O-N 2.83Å; R219-L222 PolarHBondContact O-N 3.44Å; R219-Q223 WeakPolarHBondContact O-CG 3Å; R219-Q223 PolarHBondContact O-N 3.37Å
220S82.2Confident76.6Confident43 Ų4388.4 Ų88.430%0.30147%0.467SS..Hα-helixtrans-65.7-35.2178.858.20000113E216 R217 K224E216-S220 WeakPolarHBondContact O-CB 3.13Å; E216-S220 PolarHBondContact O-N 2.88Å; E216-S220 PolarHBondContact O-OG 3.15Å; R217-S220 WeakPolarHBondContact CA-OG 3.34Å; R217-S220 PolarHBondContact O-OG 3.35Å; R217-S220 VanDerWaalsContact O-OG 3.05Å; S220-K224 WeakPolarHBondContact O-CG 3.49Å; S220-K224 PolarHBondContact O-N 3.15Å; S220-K224 VanDerWaalsContact O-N 3.16Å
221T81.2Confident76.8Confident70 Ų7084 Ų8443%0.42944%0.436SS..Hα-helixtrans-66-47.6174.9-55.50000110.8R217 A218 R219 Q223 K224 E225R217-T221 WeakPolarHBondContact O-CB 3.44Å; R217-T221 PolarHBondContact O-N 3.46Å; R217-T221 VanDerWaalsContact O-N 3.14Å; R217-T221 PolarHBondContact O-OG1 2.96Å; A218-T221 PolarHBondContact O-N 2.85Å; R219-T221 VanDerWaalsContact C-N 3.35Å; R219-T221 PolarHBondContact O-N 2.83Å; T221-Q223 VanDerWaalsContact C-N 3.34Å; T221-Q223 PolarHBondContact O-N 3.26Å; T221-K224 WeakPolarHBondContact O-CB 3.33Å; T221-K224 PolarHBondContact O-N 3.1Å; T221-K224 VanDerWaalsContact O-N 3.15Å; T221-E225 PolarHBondContact O-N 3.26Å
222L78.3Confident77Confident15 Ų1578.7 Ų78.78%0.07941%0.412CS..Hα-helixtrans-60.5-41.8177179.559.7000112.3A201 Q204 L205 M208 A218 R219 K224 E225 V226A201-L222 HydrophobicContact CB-CD1 4.35Å; Q204-L222 HydrophobicContact CB-CD2 3.61Å; Q204-L222 VanDerWaalsContact OE1-CD1 3.28Å; L205-L222 HydrophobicContact CD2-CD2 3.87Å; L205-L222 HydrophobicContact CD2-CG 4.47Å; L205-L222 HydrophobicContact CG-CD2 3.82Å; M208-L222 HydrophobicContact CE-CD2 4.12Å; M208-L222 HydrophobicContact SD-CD2 4.3Å; A218-L222 PolarHBondContact O-N 3.24Å; R219-L222 PolarHBondContact O-N 3.44Å; L222-K224 VanDerWaalsContact C-N 3.3Å; L222-K224 PolarHBondContact O-N 2.99Å; L222-E225 PolarHBondContact O-N 3.4Å; L222-V226 HydrophobicContact CD1-CG2 4.36Å; L222-V226 WeakPolarHBondContact O-CG2 3.48Å; L222-V226 PolarHBondContact O-N 3.48Å
223Q82.3Confident78.1Confident97 Ų9774 Ų7445%0.45338%0.383SS..Hα-helixtrans-61.6-37.3176.4-75.4176.7-26.400112.6L205 R219 T221 V226 H227L205-Q223 HydrophobicContact CD2-CG 4.45Å; R219-Q223 WeakPolarHBondContact O-CG 3Å; R219-Q223 PolarHBondContact O-N 3.37Å; T221-Q223 VanDerWaalsContact C-N 3.34Å; T221-Q223 PolarHBondContact O-N 3.26Å; Q223-V226 PolarHBondContact O-N 2.83Å; Q223-H227 WeakPolarHBondContact O-CB 3.31Å; Q223-H227 PolarHBondContact O-N 3.2Å
224K79.8Confident79.1Confident145 Ų14569.8 Ų69.863%0.6336%0.361SS*.Hα-helixtrans-64.8-44.7174.3-71.8170.6-176.6175.70111.4S220 T221 L222 V226 H227 A228S220-K224 WeakPolarHBondContact O-CG 3.49Å; S220-K224 PolarHBondContact O-N 3.15Å; S220-K224 VanDerWaalsContact O-N 3.16Å; T221-K224 WeakPolarHBondContact O-CB 3.33Å; T221-K224 PolarHBondContact O-N 3.1Å; T221-K224 VanDerWaalsContact O-N 3.15Å; L222-K224 VanDerWaalsContact C-N 3.3Å; L222-K224 PolarHBondContact O-N 2.99Å; K224-V226 PolarHBondContact O-N 2.94Å; K224-H227 WeakPolarHBondContact O-CB 3.43Å; K224-H227 PolarHBondContact O-N 3.29Å; K224-A228 PolarHBondContact O-N 3.15Å
225E78.4Confident80.1Confident71 Ų7167.5 Ų67.533%0.33235%0.346SS..Hα-helixtrans-61.4-42.8176.3-67.3-60.115000111.9R99 I103 T221 L222 H227 A228 A229R99-E225 IonicContact NH1-OE2 3.85Å; I103-E225 HydrophobicContact CG1-CB 4.35Å; T221-E225 PolarHBondContact O-N 3.26Å; L222-E225 PolarHBondContact O-N 3.4Å; E225-H227 VanDerWaalsContact C-N 3.33Å; E225-H227 PolarHBondContact O-N 3.49Å; E225-A228 WeakPolarHBondContact O-CB 3.44Å; E225-A228 PolarHBondContact O-N 2.02Å; E225-A229 WeakPolarHBondContact O-CB 3.36Å; E225-A229 PolarHBondContact O-N 3.41Å
226V80.6Confident80.8Confident34 Ų3465.8 Ų65.821%0.20633%0.326CS..Hα-helixtrans-63.7-39.8174.8173.90000111.5F198 A201 L222 Q223 K224 A228 A229 K230F198-V226 HydrophobicContact CD1-CG1 4.47Å; F198-V226 HydrophobicContact CE1-CG1 4.45Å; A201-V226 HydrophobicContact CB-CG2 3.33Å; L222-V226 HydrophobicContact CD1-CG2 4.36Å; L222-V226 WeakPolarHBondContact O-CG2 3.48Å; L222-V226 PolarHBondContact O-N 3.48Å; Q223-V226 PolarHBondContact O-N 2.83Å; K224-V226 PolarHBondContact O-N 2.94Å; V226-A228 VanDerWaalsContact C-N 3.33Å; V226-A229 PolarHBondContact O-N 3.23Å; V226-K230 WeakPolarHBondContact O-CB 3.43Å; V226-K230 PolarHBondContact O-N 3.27Å
227H81.1Confident81.4Confident93 Ų9359.6 Ų59.643%0.43131%0.308SS..Hα-helixtrans-64.6-39.2176.8-170.591.5000112Q223 K224 E225 S231 R288Q223-H227 WeakPolarHBondContact O-CB 3.31Å; Q223-H227 PolarHBondContact O-N 3.2Å; K224-H227 WeakPolarHBondContact O-CB 3.43Å; K224-H227 PolarHBondContact O-N 3.29Å; E225-H227 VanDerWaalsContact C-N 3.33Å; E225-H227 PolarHBondContact O-N 3.49Å; H227-S231 PolarHBondContact O-N 2.99Å; H227-S231 VanDerWaalsContact O-N 3.14Å; H227-S231 PolarHBondContact O-OG 2.89Å; H227-R288 PolarHBondContact CE1-NH1 2.87Å; H227-R288 PolarHBondContact CE1-NH2 3.43Å; H227-R288 VanDerWaalsContact CE1-NH2 3.26Å; H227-R288 PolarHBondContact NE2-NH2 2.99Å; H227-R288 VanDerWaalsContact NE2-NH2 3.18Å; H227-R288 PolarHBondContact O-NH2 2.86Å
228A77.9Confident82.1Confident39 Ų3952 Ų5232%0.32228%0.283SS..Hα-helixtrans-63.3-5017300000110.8K224 E225 V226 K230 S231 L232K224-A228 PolarHBondContact O-N 3.15Å; E225-A228 WeakPolarHBondContact O-CB 3.44Å; E225-A228 PolarHBondContact O-N 2.02Å; V226-A228 VanDerWaalsContact C-N 3.33Å; A228-K230 VanDerWaalsContact C-N 3.32Å; A228-K230 PolarHBondContact O-N 3.27Å; A228-S231 WeakPolarHBondContact O-CB 3.41Å; A228-S231 PolarHBondContact O-N 3.46Å; A228-L232 PolarHBondContact O-N 3.35Å; A228-L232 VanDerWaalsContact O-N 3.1Å
229A78.5Confident82.6Confident1 Ų149.6 Ų49.61%0.00826%0.263CS..Hα-helixtrans-59-39.5176.800000112.8I103 I197 E225 V226 S231 L232 A233I103-A229 HydrophobicContact CD1-CB 4.17Å; I197-A229 HydrophobicContact CG2-CB 3.96Å; E225-A229 WeakPolarHBondContact O-CB 3.36Å; E225-A229 PolarHBondContact O-N 3.41Å; V226-A229 PolarHBondContact O-N 3.23Å; A229-S231 VanDerWaalsContact C-N 3.3Å; A229-S231 PolarHBondContact O-N 3.23Å; A229-L232 PolarHBondContact O-N 3.25Å; A229-A233 WeakPolarHBondContact O-CB 3.07Å; A229-A233 PolarHBondContact O-N 2.9Å
230K83.8Confident83.3Confident114 Ų11446 Ų4650%0.49625%0.254SS..Hα-helixtrans-59-41.5172.8-176.6176.9179.7175.40112.1F198 V226 A228 L232 A233 I234F198-K230 HydrophobicContact CE1-CB 4.27Å; F198-K230 HydrophobicContact CZ-CB 4.38Å; V226-K230 WeakPolarHBondContact O-CB 3.43Å; V226-K230 PolarHBondContact O-N 3.27Å; A228-K230 VanDerWaalsContact C-N 3.32Å; A228-K230 PolarHBondContact O-N 3.27Å; K230-L232 VanDerWaalsContact C-N 3.32Å; K230-A233 PolarHBondContact O-N 3.32Å; K230-I234 HydrophobicContact CG-CD1 4.39Å; K230-I234 VanDerWaalsContact O-CG1 3.3Å; K230-I234 WeakPolarHBondContact O-CG1 3.36Å; K230-I234 PolarHBondContact O-N 3.46Å; K230-I234 VanDerWaalsContact O-N 3.09Å
231S79.9Confident83.9Confident5 Ų549.2 Ų49.24%0.03527%0.267CS..Hα-helixtrans-64.9-39.4178.4-50.90000111.5H227 A228 A229 I234 I235 R288H227-S231 PolarHBondContact O-N 2.99Å; H227-S231 VanDerWaalsContact O-N 3.14Å; H227-S231 PolarHBondContact O-OG 2.89Å; A228-S231 WeakPolarHBondContact O-CB 3.41Å; A228-S231 PolarHBondContact O-N 3.46Å; A229-S231 VanDerWaalsContact C-N 3.3Å; A229-S231 PolarHBondContact O-N 3.23Å; S231-I234 WeakPolarHBondContact O-CB 2.97Å; S231-I234 PolarHBondContact O-N 3.41Å; S231-I235 WeakPolarHBondContact O-CG1 3.16Å; S231-I235 PolarHBondContact O-N 3.35Å; S231-R288 VanDerWaalsContact OG-CZ 3.32Å; S231-R288 PolarHBondContact OG-NE 3.36Å; S231-R288 PolarHBondContact OG-NH2 3.28Å
232L79Confident84.6Confident16 Ų1646.2 Ų46.28%0.08425%0.249CC..Hα-helixtrans-74.3-34.1178.6-61170.7000112.6I95 R99 Y194 A228 A229 K230 I234 I235 V236I95-L232 HydrophobicContact CG2-CD1 3.85Å; I95-L232 HydrophobicContact CG2-CD2 3.92Å; I95-L232 HydrophobicContact CG2-CG 4.32Å; R99-L232 HydrophobicContact CG-CD1 3.33Å; Y194-L232 HydrophobicContact CE1-CB 4.15Å; Y194-L232 VanDerWaalsContact OH-CB 3.23Å; Y194-L232 WeakPolarHBondContact OH-CB 3.49Å; A228-L232 PolarHBondContact O-N 3.35Å; A228-L232 VanDerWaalsContact O-N 3.1Å; A229-L232 PolarHBondContact O-N 3.25Å; K230-L232 VanDerWaalsContact C-N 3.32Å; L232-I234 VanDerWaalsContact C-N 3.3Å; L232-I234 PolarHBondContact O-N 3.38Å; L232-I235 HydrophobicContact CD2-CD1 3.86Å; L232-I235 WeakPolarHBondContact O-CB 3.24Å; L232-I235 PolarHBondContact O-N 3.06Å; L232-V236 PolarHBondContact O-N 3.3Å
233A83.8Confident85.4Confident24 Ų2446.2 Ų46.220%0.19825%0.248CC..Hα-helixtrans-63.3-35.9171.400000112.2Y194 F198 A229 K230 I235 V236 G237Y194-A233 HydrophobicContact CD1-CB 3.88Å; Y194-A233 HydrophobicContact CD2-CB 4.36Å; Y194-A233 HydrophobicContact CE1-CB 4.12Å; Y194-A233 HydrophobicContact CG-CB 4.03Å; F198-A233 HydrophobicContact CE2-CB 4.05Å; F198-A233 HydrophobicContact CZ-CB 4.02Å; A229-A233 WeakPolarHBondContact O-CB 3.07Å; A229-A233 PolarHBondContact O-N 2.9Å; K230-A233 PolarHBondContact O-N 3.32Å; A233-I235 VanDerWaalsContact C-N 3.33Å; A233-V236 PolarHBondContact O-N 3.41Å; A233-G237 PolarHBondContact O-N 3.2Å
234I86.8Confident86Confident67 Ų6744.2 Ų44.234%0.34424%0.24SC..Hα-helixtrans-61.5-42.1173-70.4163.7000110.7K230 S231 L232 V236 G237 L238K230-I234 HydrophobicContact CG-CD1 4.39Å; K230-I234 VanDerWaalsContact O-CG1 3.3Å; K230-I234 WeakPolarHBondContact O-CG1 3.36Å; K230-I234 PolarHBondContact O-N 3.46Å; K230-I234 VanDerWaalsContact O-N 3.09Å; S231-I234 WeakPolarHBondContact O-CB 2.97Å; S231-I234 PolarHBondContact O-N 3.41Å; L232-I234 VanDerWaalsContact C-N 3.3Å; L232-I234 PolarHBondContact O-N 3.38Å; I234-V236 VanDerWaalsContact C-N 3.33Å; I234-V236 PolarHBondContact O-N 3.18Å; I234-G237 PolarHBondContact O-N 3.02Å; I234-L238 HydrophobicContact CG2-CD1 3.82Å; I234-L238 HydrophobicContact CG2-CG 4.3Å; I234-L238 WeakPolarHBondContact O-CB 3.39Å; I234-L238 WeakPolarHBondContact O-CG 3.38Å; I234-L238 PolarHBondContact O-N 3.46Å
235I84.4Confident86.9Confident4 Ų439.3 Ų39.32%0.02122%0.223CC..Hα-helixtrans-59.1-46.5177.2-61171.5000110.4L92 S231 L232 A233 G237 L238 F239 I284 Y285L92-I235 HydrophobicContact CD2-CG2 3.58Å; S231-I235 WeakPolarHBondContact O-CG1 3.16Å; S231-I235 PolarHBondContact O-N 3.35Å; L232-I235 HydrophobicContact CD2-CD1 3.86Å; L232-I235 WeakPolarHBondContact O-CB 3.24Å; L232-I235 PolarHBondContact O-N 3.06Å; A233-I235 VanDerWaalsContact C-N 3.33Å; I235-G237 PolarHBondContact O-N 3.25Å; I235-L238 PolarHBondContact O-N 3.27Å; I235-F239 PolarHBondContact O-N 3.45Å; I235-I284 HydrophobicContact CD1-CG2 4.14Å; I235-I284 HydrophobicContact CG1-CB 4.43Å; I235-I284 HydrophobicContact CG1-CD1 3.83Å; I235-I284 HydrophobicContact CG1-CG2 3.77Å; I235-Y285 HydrophobicContact CD1-CD1 4.35Å; I235-Y285 HydrophobicContact CD1-CE1 3.52Å
236V86.3Confident87.8Confident13 Ų1337.1 Ų37.18%0.07921%0.213CC..Hα-helixtrans-64.8-39.9177.9176.20000112.1L92 L187 M190 Y194 L232 A233 I234 L238 F239 A240L92-V236 HydrophobicContact CB-CG2 4.45Å; L92-V236 HydrophobicContact CD2-CG2 4.43Å; L187-V236 HydrophobicContact CD2-CG1 4.16Å; M190-V236 HydrophobicContact CB-CG1 4.12Å; M190-V236 HydrophobicContact CE-CG1 4.14Å; M190-V236 HydrophobicContact SD-CG1 4.09Å; M190-V236 HydrophobicContact SD-CG2 3.87Å; Y194-V236 HydrophobicContact CE2-CB 4.33Å; Y194-V236 HydrophobicContact CE2-CG2 3.75Å; L232-V236 PolarHBondContact O-N 3.3Å; A233-V236 PolarHBondContact O-N 3.41Å; I234-V236 VanDerWaalsContact C-N 3.33Å; I234-V236 PolarHBondContact O-N 3.18Å; V236-L238 VanDerWaalsContact C-N 3.35Å; V236-F239 WeakPolarHBondContact O-CB 3.32Å; V236-F239 PolarHBondContact O-N 2.92Å; V236-A240 PolarHBondContact O-N 2.89Å
237G89.9Confident88.5Confident43 Ų4335.7 Ų35.744%0.44321%0.205SC..Hα-helixtrans-63.2-39.9175.500000112.9A233 I234 I235 A240 L241A233-G237 PolarHBondContact O-N 3.2Å; I234-G237 PolarHBondContact O-N 3.02Å; I235-G237 PolarHBondContact O-N 3.25Å; G237-A240 PolarHBondContact O-N 3.35Å; G237-L241 WeakPolarHBondContact O-CB 3.15Å; G237-L241 PolarHBondContact O-N 3.22Å
238L91.7Very high89.3Confident51 Ų5135.2 Ų35.227%0.26720%0.204SC..Hα-helixtrans-68.2-39.2175.6-72.4170.6000111.9I234 I235 V236 A240 L241 C242 I284I234-L238 HydrophobicContact CG2-CD1 3.82Å; I234-L238 HydrophobicContact CG2-CG 4.3Å; I234-L238 WeakPolarHBondContact O-CB 3.39Å; I234-L238 WeakPolarHBondContact O-CG 3.38Å; I234-L238 PolarHBondContact O-N 3.46Å; I235-L238 PolarHBondContact O-N 3.27Å; V236-L238 VanDerWaalsContact C-N 3.35Å; L238-A240 VanDerWaalsContact C-N 3.35Å; L238-A240 PolarHBondContact O-N 2.67Å; L238-L241 HydrophobicContact CD2-CD2 4.34Å; L238-L241 PolarHBondContact O-N 2.91Å; L238-C242 WeakPolarHBondContact O-CB 3.37Å; L238-C242 PolarHBondContact O-N 3.38Å; L238-C242 PolarHBondContact O-SG 3.44Å; L238-C242 VanDerWaalsContact O-SG 3.41Å; L238-I284 HydrophobicContact CD1-CD1 3.46Å; L238-I284 VanDerWaalsContact CD1-CD1 3.46Å; L238-I284 HydrophobicContact CD1-CG1 4.22Å
239F89.8Confident90.2Very high1 Ų134.1 Ų34.10%0.00419%0.193CC..Hα-helixtrans-57-49.4172-177.9-85.8000111.4T85 I89 L92 L187 I235 V236 L241 C242 W243 N277T85-F239 HydrophobicContact CG2-CZ 3.99Å; I89-F239 HydrophobicContact CD1-CE1 4.14Å; I89-F239 HydrophobicContact CD1-CZ 3.9Å; I89-F239 HydrophobicContact CG1-CE1 3.7Å; I89-F239 HydrophobicContact CG1-CE2 4.32Å; I89-F239 HydrophobicContact CG1-CZ 3.42Å; I89-F239 VanDerWaalsContact CG1-CZ 3.42Å; L92-F239 HydrophobicContact CD1-CB 3.93Å; L92-F239 HydrophobicContact CD1-CD1 4.41Å; L92-F239 HydrophobicContact CD1-CD2 3.74Å; L92-F239 HydrophobicContact CD1-CE2 4.4Å; L92-F239 HydrophobicContact CD1-CG 3.75Å; L187-F239 HydrophobicContact CD2-CD1 3.93Å; L187-F239 HydrophobicContact CD2-CE1 4.41Å; I235-F239 PolarHBondContact O-N 3.45Å; V236-F239 WeakPolarHBondContact O-CB 3.32Å; V236-F239 PolarHBondContact O-N 2.92Å; F239-L241 PolarHBondContact O-N 2.98Å; F239-C242 PolarHBondContact O-N 2.7Å; F239-W243 AromaticContact CD2-CD1 3.72Å; F239-W243 AromaticContact CD2-NE1 3.89Å; F239-W243 HydrophobicContact CE1-CB 4.5Å; F239-W243 AromaticContact CE1-CD1 3.96Å; F239-W243 HydrophobicContact CE1-CG 4.28Å; F239-W243 AromaticContact CE2-CD1 3.49Å; F239-W243 VanDerWaalsContact CE2-CD1 3.49Å; F239-W243 HydrophobicContact CE2-CG 4.35Å; F239-W243 AromaticContact CE2-NE1 3.44Å; F239-W243 AromaticContact CZ-CD1 3.6Å; F239-W243 HydrophobicContact CZ-CG 4.06Å; F239-W243 AromaticContact CZ-NE1 3.85Å; F239-W243 PolarHBondContact O-N 3.48Å; F239-N277 VanDerWaalsContact CA-OD1 3.32Å; F239-N277 WeakPolarHBondContact CA-OD1 3.26Å
240A92.8Very high91.1Very high20 Ų2034.2 Ų34.217%0.16519%0.193CC..Hα-helixtrans-59.8-46.5176.400000111.5L187 V236 G237 L238 C242 W243 L244L187-A240 HydrophobicContact CD1-CB 4.48Å; L187-A240 HydrophobicContact CD2-CB 4.32Å; V236-A240 PolarHBondContact O-N 2.89Å; G237-A240 PolarHBondContact O-N 3.35Å; L238-A240 VanDerWaalsContact C-N 3.35Å; L238-A240 PolarHBondContact O-N 2.67Å; A240-C242 VanDerWaalsContact C-N 3.27Å; A240-C242 PolarHBondContact O-N 2.92Å; A240-W243 PolarHBondContact O-N 2.95Å; A240-L244 HydrophobicContact CB-CD1 4.05Å; A240-L244 HydrophobicContact CB-CG 4.44Å; A240-L244 WeakPolarHBondContact O-CB 3.25Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 3.09Å
241L95.7Very high91.7Very high110 Ų11029.8 Ų29.858%0.57618%0.176SC*.Hα-helixtrans-59.6-37.9179.5-177.464.7000112.5G237 L238 F239 P245G237-L241 WeakPolarHBondContact O-CB 3.15Å; G237-L241 PolarHBondContact O-N 3.22Å; L238-L241 HydrophobicContact CD2-CD2 4.34Å; L238-L241 PolarHBondContact O-N 2.91Å; F239-L241 PolarHBondContact O-N 2.98Å; L241-P245 WeakPolarHBondContact O-CD 3.45Å
242C95.9Very high92.6Very high8 Ų835.8 Ų35.85%0.05420%0.202CC..Hα-helixtrans-76.6-35.8-178.6-76.10000113.6L238 F239 A240 L273 S274 N277L238-C242 WeakPolarHBondContact O-CB 3.37Å; L238-C242 PolarHBondContact O-N 3.38Å; L238-C242 PolarHBondContact O-SG 3.44Å; L238-C242 VanDerWaalsContact O-SG 3.41Å; F239-C242 PolarHBondContact O-N 2.7Å; A240-C242 VanDerWaalsContact C-N 3.27Å; A240-C242 PolarHBondContact O-N 2.92Å; C242-L273 WeakPolarHBondContact CB-O 3.44Å; C242-L273 PolarHBondContact SG-O 3.22Å; C242-S274 WeakPolarHBondContact O-CA 3.31Å; C242-S274 PolarHBondContact O-N 3.48Å; C242-N277 HydrophobicContact CB-CB 3.75Å
243W95.3Very high93.3Very high14 Ų1436.2 Ų36.25%0.05321%0.205CC..Hα-helixtrans-96.3-32.3-173.3-7792.3000114.3V81 T85 F239 A240 P245 L246 H247V81-W243 HydrophobicContact CG2-CH2 4.21Å; T85-W243 HydrophobicContact CG2-CD2 3.96Å; T85-W243 HydrophobicContact CG2-CE3 3.94Å; T85-W243 HydrophobicContact CG2-CH2 3.9Å; T85-W243 HydrophobicContact CG2-CZ2 3.86Å; T85-W243 HydrophobicContact CG2-CZ3 3.91Å; T85-W243 WeakPolarHBondContact OG1-CH2 3.45Å; T85-W243 VanDerWaalsContact OG1-CZ2 3.23Å; T85-W243 WeakPolarHBondContact OG1-CZ2 3.4Å; T85-W243 WeakPolarHBondContact OG1-CZ3 3.21Å; F239-W243 AromaticContact CD2-CD1 3.72Å; F239-W243 AromaticContact CD2-NE1 3.89Å; F239-W243 HydrophobicContact CE1-CB 4.5Å; F239-W243 AromaticContact CE1-CD1 3.96Å; F239-W243 HydrophobicContact CE1-CG 4.28Å; F239-W243 AromaticContact CE2-CD1 3.49Å; F239-W243 VanDerWaalsContact CE2-CD1 3.49Å; F239-W243 HydrophobicContact CE2-CG 4.35Å; F239-W243 AromaticContact CE2-NE1 3.44Å; F239-W243 AromaticContact CZ-CD1 3.6Å; F239-W243 HydrophobicContact CZ-CG 4.06Å; F239-W243 AromaticContact CZ-NE1 3.85Å; F239-W243 PolarHBondContact O-N 3.48Å; A240-W243 PolarHBondContact O-N 2.95Å; W243-P245 VanDerWaalsContact C-CD 3.47Å; W243-L246 PolarHBondContact O-N 3.15Å; W243-H247 PolarHBondContact O-CD2 3.26Å; W243-H247 VanDerWaalsContact O-CD2 3.25Å; W243-H247 PolarHBondContact O-N 3.41Å
244L95.6Very high93.9Very high55 Ų5538 Ų3829%0.28821%0.209SC..Hα-helixtrans-57.9-39.6-176.9-74.9175.6000114F179 A240 L246 H247 I248F179-L244 HydrophobicContact CE2-CD2 3.74Å; F179-L244 HydrophobicContact CZ-CD2 3.95Å; A240-L244 HydrophobicContact CB-CD1 4.05Å; A240-L244 HydrophobicContact CB-CG 4.44Å; A240-L244 WeakPolarHBondContact O-CB 3.25Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 3.09Å; L244-L246 VanDerWaalsContact C-N 3.3Å; L244-L246 PolarHBondContact O-N 2.93Å; L244-H247 PolarHBondContact O-N 2.98Å; L244-I248 HydrophobicContact CB-CD1 4.25Å; L244-I248 WeakPolarHBondContact O-CB 3.39Å; L244-I248 WeakPolarHBondContact O-CD1 3.34Å; L244-I248 WeakPolarHBondContact O-CG1 3.1Å; L244-I248 PolarHBondContact O-N 3.34Å
245P97.4Very high94.4Very high42 Ų4239.9 Ų39.927%0.27322%0.215SC..Hα-helixtrans-56.6-42.5179.4-3039.7000113.3L241 W243 I248 I249 L273L241-P245 WeakPolarHBondContact O-CD 3.45Å; W243-P245 VanDerWaalsContact C-CD 3.47Å; P245-I248 PolarHBondContact O-N 3.04Å; P245-I249 VanDerWaalsContact O-CG1 3.29Å; P245-I249 WeakPolarHBondContact O-CG1 3.1Å; P245-I249 PolarHBondContact O-N 3.49Å; P245-L273 HydrophobicContact CB-CD2 4.4Å; P245-L273 HydrophobicContact CG-CD2 3.83Å
246L96.6Very high94.9Very high26 Ų2641.6 Ų41.614%0.13623%0.226CC..Hα-helixtrans-66.6-44.1178.4-173.863.7000111.6W243 L244 I248 I249 N250 M267 A270 I271W243-L246 PolarHBondContact O-N 3.15Å; L244-L246 VanDerWaalsContact C-N 3.3Å; L244-L246 PolarHBondContact O-N 2.93Å; L246-I248 VanDerWaalsContact C-N 3.35Å; L246-I248 PolarHBondContact O-N 3.21Å; L246-I249 PolarHBondContact O-N 3.19Å; L246-N250 PolarHBondContact O-N 2.9Å; L246-M267 HydrophobicContact CD1-CE 4.28Å; L246-A270 HydrophobicContact CB-CB 4.2Å; L246-A270 HydrophobicContact CD1-CB 4.1Å; L246-I271 HydrophobicContact CD1-CG1 4.16Å
247H97.1Very high95.2Very high4 Ų445.9 Ų45.92%0.01926%0.255CS..Hα-helixtrans-64.9-37.9176.8-70.9-61.1000112.9N178 F179 W243 L244 N250 C251N178-H247 PolarHBondContact OD1-CE1 3.22Å; F179-H247 HydrophobicContact CB-CB 4.32Å; F179-H247 HydrophobicContact CD1-CB 3.85Å; F179-H247 HydrophobicContact CD2-CB 3.48Å; F179-H247 VanDerWaalsContact CD2-CB 3.48Å; F179-H247 AromaticContact CD2-CD2 3.77Å; F179-H247 AromaticContact CD2-CG 3.38Å; F179-H247 AromaticContact CD2-ND1 3.74Å; F179-H247 HydrophobicContact CE1-CB 3.95Å; F179-H247 HydrophobicContact CE2-CB 3.62Å; F179-H247 AromaticContact CE2-CG 3.9Å; F179-H247 HydrophobicContact CG-CB 3.62Å; F179-H247 AromaticContact CG-CG 3.71Å; F179-H247 AromaticContact CG-ND1 3.75Å; F179-H247 HydrophobicContact CZ-CB 3.85Å; W243-H247 PolarHBondContact O-CD2 3.26Å; W243-H247 VanDerWaalsContact O-CD2 3.25Å; W243-H247 PolarHBondContact O-N 3.41Å; L244-H247 PolarHBondContact O-N 2.98Å; H247-N250 PolarHBondContact O-N 3.39Å; H247-C251 PolarHBondContact O-N 3.4Å; H247-C251 PolarHBondContact O-SG 3.03Å; H247-C251 VanDerWaalsContact O-SG 3.34Å
248I97.3Very high95.5Very high82 Ų8251.4 Ų51.442%0.42127%0.274SS..Hα-helixtrans-63.6-44175.9-69.7164.2000110L244 P245 L246 N250 C251 F252L244-I248 HydrophobicContact CB-CD1 4.25Å; L244-I248 WeakPolarHBondContact O-CB 3.39Å; L244-I248 WeakPolarHBondContact O-CD1 3.34Å; L244-I248 WeakPolarHBondContact O-CG1 3.1Å; L244-I248 PolarHBondContact O-N 3.34Å; P245-I248 PolarHBondContact O-N 3.04Å; L246-I248 VanDerWaalsContact C-N 3.35Å; L246-I248 PolarHBondContact O-N 3.21Å; I248-N250 VanDerWaalsContact C-N 3.33Å; I248-N250 PolarHBondContact O-N 2.89Å; I248-C251 WeakPolarHBondContact O-CB 3.4Å; I248-C251 PolarHBondContact O-N 2.96Å; I248-C251 VanDerWaalsContact O-N 3.14Å; I248-F252 HydrophobicContact CG2-CD2 3.89Å; I248-F252 HydrophobicContact CG2-CE2 3.74Å; I248-F252 VanDerWaalsContact O-CD2 3.32Å; I248-F252 WeakPolarHBondContact O-CD2 3.46Å; I248-F252 PolarHBondContact O-N 2.74Å
249I97.1Very high95.6Very high16 Ų1651.7 Ų51.78%0.08228%0.279CS..Hα-helixtrans-59.9-45175.5-65.3162000110.8P245 L246 C251 F252 T253 A262 L266 M267 A270P245-I249 VanDerWaalsContact O-CG1 3.29Å; P245-I249 WeakPolarHBondContact O-CG1 3.1Å; P245-I249 PolarHBondContact O-N 3.49Å; L246-I249 PolarHBondContact O-N 3.19Å; I249-C251 VanDerWaalsContact C-N 3.26Å; I249-C251 PolarHBondContact O-N 2.92Å; I249-F252 WeakPolarHBondContact O-CB 3.17Å; I249-F252 PolarHBondContact O-N 3.4Å; I249-T253 PolarHBondContact O-N 2.03Å; I249-T253 PolarHBondContact O-OG1 2.94Å; I249-A262 HydrophobicContact CG2-CB 3.58Å; I249-L266 HydrophobicContact CD1-CD2 4.43Å; I249-L266 HydrophobicContact CD1-CG 4.05Å; I249-M267 HydrophobicContact CB-SD 4.3Å; I249-M267 HydrophobicContact CD1-SD 4.23Å; I249-M267 HydrophobicContact CG2-SD 3.39Å; I249-M267 WeakPolarHBondContact CG2-SD 3.38Å; I249-A270 HydrophobicContact CD1-CB 3.79Å
250N96.8Very high95.7Very high4 Ų459.3 Ų59.32%0.02132%0.32CS..Hα-helixtrans-59.1-37.4175.8-67.2-17.4000112.3V175 L246 H247 I248 T253 F254V175-N250 HydrophobicContact CG2-CB 4.26Å; L246-N250 PolarHBondContact O-N 2.9Å; H247-N250 PolarHBondContact O-N 3.39Å; I248-N250 VanDerWaalsContact C-N 3.33Å; I248-N250 PolarHBondContact O-N 2.89Å; N250-T253 PolarHBondContact O-N 2.98Å; N250-F254 VanDerWaalsContact O-CB 3.29Å; N250-F254 WeakPolarHBondContact O-CB 3.39Å; N250-F254 PolarHBondContact O-N 3.47Å
251C97.6Very high95.7Very high20 Ų2064.5 Ų64.514%0.13534%0.341CS..Hα-helixtrans-62.9-43.3173.1-71.20000112.1H247 I248 I249 F254 F255H247-C251 PolarHBondContact O-N 3.4Å; H247-C251 PolarHBondContact O-SG 3.03Å; H247-C251 VanDerWaalsContact O-SG 3.34Å; I248-C251 WeakPolarHBondContact O-CB 3.4Å; I248-C251 PolarHBondContact O-N 2.96Å; I248-C251 VanDerWaalsContact O-N 3.14Å; I249-C251 VanDerWaalsContact C-N 3.26Å; I249-C251 PolarHBondContact O-N 2.92Å; C251-F254 PolarHBondContact O-N 2.81Å; C251-F255 HydrophobicContact CB-CD2 4.01Å; C251-F255 HydrophobicContact CB-CE2 4.26Å; C251-F255 WeakPolarHBondContact O-CB 3.46Å; C251-F255 VanDerWaalsContact O-CD2 3.25Å; C251-F255 WeakPolarHBondContact O-CD2 3.48Å; C251-F255 PolarHBondContact O-N 2.91Å
252F96.8Very high95.6Very high131 Ų13160.6 Ų60.658%0.57533%0.325SS*.Hα-helixtrans-62.3-47.4175.6-85.2-81.2000111.5I248 I249 F254 C256I248-F252 HydrophobicContact CG2-CD2 3.89Å; I248-F252 HydrophobicContact CG2-CE2 3.74Å; I248-F252 VanDerWaalsContact O-CD2 3.32Å; I248-F252 WeakPolarHBondContact O-CD2 3.46Å; I248-F252 PolarHBondContact O-N 2.74Å; I249-F252 WeakPolarHBondContact O-CB 3.17Å; I249-F252 PolarHBondContact O-N 3.4Å; F252-F254 PolarHBondContact O-N 3.49Å; F252-C256 WeakPolarHBondContact O-CB 3.3Å; F252-C256 PolarHBondContact O-N 3.41Å
253T94.7Very high95.5Very high26 Ų2663.1 Ų63.116%0.1634%0.341CS..Hα-helixtrans-58-35.3176.9-58.10000112.2M171 I249 N250M171-T253 HydrophobicContact CG-CG2 4.44Å; I249-T253 PolarHBondContact O-N 2.03Å; I249-T253 PolarHBondContact O-OG1 2.94Å; N250-T253 PolarHBondContact O-N 2.98Å
254F96.3Very high95.3Very high61 Ų6167.7 Ų67.727%0.26837%0.366SS..Hα-helixtrans-86.3-45.9-177.6-176.5-109.7000114M171 N172 V175 Y176 N250 C251 F252M171-F254 HydrophobicContact CB-CB 4.22Å; M171-F254 HydrophobicContact CB-CD2 3.67Å; M171-F254 HydrophobicContact CB-CG 4.3Å; N172-F254 HydrophobicContact CB-CE2 3.83Å; N172-F254 HydrophobicContact CB-CZ 3.93Å; V175-F254 HydrophobicContact CB-CD1 4.17Å; V175-F254 HydrophobicContact CB-CG 4.46Å; V175-F254 HydrophobicContact CG1-CD1 4.1Å; V175-F254 HydrophobicContact CG2-CB 3.78Å; V175-F254 HydrophobicContact CG2-CD1 4.2Å; V175-F254 HydrophobicContact CG2-CG 4.09Å; Y176-F254 HydrophobicContact CD2-CE1 4.27Å; Y176-F254 HydrophobicContact CD2-CZ 4.37Å; Y176-F254 HydrophobicContact CE1-CE1 4.49Å; Y176-F254 AromaticContact CE2-CE1 3.43Å; Y176-F254 HydrophobicContact CE2-CE1 3.43Å; Y176-F254 VanDerWaalsContact CE2-CE1 3.43Å; Y176-F254 AromaticContact CE2-CZ 3.59Å; Y176-F254 HydrophobicContact CE2-CZ 3.59Å; Y176-F254 AromaticContact CZ-CE1 3.58Å; N250-F254 VanDerWaalsContact O-CB 3.29Å; N250-F254 WeakPolarHBondContact O-CB 3.39Å; N250-F254 PolarHBondContact O-N 3.47Å; C251-F254 PolarHBondContact O-N 2.81Å; F252-F254 PolarHBondContact O-N 3.49Å
255F97.4Very high95.2Very high107 Ų10771.7 Ų71.747%0.46938%0.377SS..Hα-helixtrans-87.9-17.6-173.8-67.8-61.4000113.9V175 Y176 F180 C251V175-F255 HydrophobicContact CG1-CE2 3.54Å; V175-F255 HydrophobicContact CG1-CZ 3.72Å; Y176-F255 HydrophobicContact CE1-CE1 4.18Å; Y176-F255 AromaticContact CE1-CZ 3.9Å; Y176-F255 HydrophobicContact CE1-CZ 3.9Å; F180-F255 HydrophobicContact CE2-CE2 4.36Å; F180-F255 HydrophobicContact CE2-CZ 4.08Å; F180-F255 AromaticContact CZ-CE2 3.97Å; F180-F255 HydrophobicContact CZ-CE2 3.97Å; F180-F255 HydrophobicContact CZ-CZ 4.16Å; C251-F255 HydrophobicContact CB-CD2 4.01Å; C251-F255 HydrophobicContact CB-CE2 4.26Å; C251-F255 WeakPolarHBondContact O-CB 3.46Å; C251-F255 VanDerWaalsContact O-CD2 3.25Å; C251-F255 WeakPolarHBondContact O-CD2 3.48Å; C251-F255 PolarHBondContact O-N 2.91Å
256C95.8Very high95.1Very high39 Ų3972.4 Ų72.426%0.26438%0.378SS..  trans-12476.9177.2-168.30000110.7F252 D258 C259F252-C256 WeakPolarHBondContact O-CB 3.3Å; F252-C256 PolarHBondContact O-N 3.41Å; C256-D258 PolarHBondContact O-N 2.92Å; C256-C259 HydrophobicContact CB-CB 3.68Å; C256-C259 WeakPolarHBondContact CB-SG 3.4Å; C256-C259 WeakPolarHBondContact O-CB 3.46Å; C256-C259 PolarHBondContact O-N 3.37Å; C256-C259 VanDerWaalsContact O-N 3.08Å; C256-C259 WeakPolarHBondContact SG-CB 3.49Å; C256-C259 PolarHBondContact SG-N 3.2Å; C256-C259 CovalentContact SG-SG 2.03Å; C256-C259 PolarHBondContact SG-SG 3.09Å
257P92.8Very high95Very high104 Ų10472.3 Ų72.368%0.67538%0.378SS*.THydrogen-bonded Turntrans-63.9-24.817826.6-34.6000112.9C259P257-C259 VanDerWaalsContact C-N 3.33Å
258D94.4Very high94.8Very high158 Ų15873.3 Ų73.385%0.84538%0.381SS*.THydrogen-bonded Turntrans-82.1-11176.7-57.4-42.8000113C256C256-D258 PolarHBondContact O-N 2.92Å
259C94.1Very high94.8Very high57 Ų5773.7 Ų73.739%0.38538%0.384SS..SBendtrans-75.4145.8175.6-72.10000110.3C256 P257 H261C256-C259 HydrophobicContact CB-CB 3.68Å; C256-C259 WeakPolarHBondContact CB-SG 3.4Å; C256-C259 WeakPolarHBondContact O-CB 3.46Å; C256-C259 PolarHBondContact O-N 3.37Å; C256-C259 VanDerWaalsContact O-N 3.08Å; C256-C259 WeakPolarHBondContact SG-CB 3.49Å; C256-C259 PolarHBondContact SG-N 3.2Å; C256-C259 CovalentContact SG-SG 2.03Å; C256-C259 PolarHBondContact SG-SG 3.09Å; P257-C259 VanDerWaalsContact C-N 3.33Å; C259-H261 PolarHBondContact O-N 2.85Å
260N92.8Very high94.8Very high161 Ų16173.1 Ų73.186%0.86138%0.381SS*.PPolyproline II helixtrans-58.6131.1168.7-68.8-38.7000109.8
261H92.4Very high94.7Very high129 Ų12974.7 Ų74.760%0.59739%0.389SS*.PPolyproline II helixtrans-52.9143.3172.7-83.9-91.6000110.8C259C259-H261 PolarHBondContact O-N 2.85Å
262A94Very high94.7Very high29 Ų2974.5 Ų74.524%0.2439%0.388CS..PPolyproline II helixtrans-54.6133.4175.700000109.9I249 L266 M267I249-A262 HydrophobicContact CG2-CB 3.58Å; A262-L266 HydrophobicContact CB-CD2 4.38Å; A262-M267 HydrophobicContact CB-CG 4.35Å; A262-M267 HydrophobicContact CB-SD 4.35Å
263P94.1Very high94.7Very high60 Ų6071.2 Ų71.239%0.3938%0.375SS..PPolyproline II helixtrans-64.2145.7-177.527.8-35.2000110.1W265 L266 M267P263-W265 HydrophobicContact CG-CZ2 4.16Å; P263-W265 VanDerWaalsContact CG-NE1 3.35Å; P263-W265 PolarHBondContact O-N 3.49Å; P263-L266 HydrophobicContact CG-CB 3.96Å; P263-L266 WeakPolarHBondContact O-CA 3.34Å; P263-L266 WeakPolarHBondContact O-CB 3.32Å; P263-L266 PolarHBondContact O-N 3.3Å; P263-M267 PolarHBondContact O-N 3.44Å
264L90.9Very high94.9Very high110 Ų11070 Ų7058%0.57637%0.369SS*.Hα-helixtrans-53.8-35.7-172.9-173.466.9000113.9L266 M267 Y268L264-L266 VanDerWaalsContact C-N 3.26Å; L264-L266 PolarHBondContact O-N 3.16Å; L264-M267 PolarHBondContact O-N 2.99Å; L264-Y268 HydrophobicContact CD1-CE1 4.08Å; L264-Y268 HydrophobicContact CD1-CE2 3.95Å; L264-Y268 HydrophobicContact CD2-CE2 3.68Å; L264-Y268 HydrophobicContact CG-CD2 3.99Å; L264-Y268 HydrophobicContact CG-CE2 3.52Å; L264-Y268 PolarHBondContact O-N 2.91Å
265W93.7Very high94.9Very high139 Ų13967.4 Ų67.453%0.52736%0.357SS..Hα-helixtrans-63.9-32.4177.770.4-97.7000112.8P263 L269P263-W265 HydrophobicContact CG-CZ2 4.16Å; P263-W265 VanDerWaalsContact CG-NE1 3.35Å; P263-W265 PolarHBondContact O-N 3.49Å; W265-L269 HydrophobicContact CZ3-CD2 4.13Å; W265-L269 VanDerWaalsContact O-CB 3.31Å; W265-L269 WeakPolarHBondContact O-CB 3.41Å; W265-L269 PolarHBondContact O-N 3.44Å
266L95.1Very high94.9Very high57 Ų5764.4 Ų64.430%0.29835%0.347SS..Hα-helixtrans-75.6-38.6178.6-178.761.4000110.4I249 A262 P263 L264 L269 A270I249-L266 HydrophobicContact CD1-CD2 4.43Å; I249-L266 HydrophobicContact CD1-CG 4.05Å; A262-L266 HydrophobicContact CB-CD2 4.38Å; P263-L266 HydrophobicContact CG-CB 3.96Å; P263-L266 WeakPolarHBondContact O-CA 3.34Å; P263-L266 WeakPolarHBondContact O-CB 3.32Å; P263-L266 PolarHBondContact O-N 3.3Å; L264-L266 VanDerWaalsContact C-N 3.26Å; L264-L266 PolarHBondContact O-N 3.16Å; L266-L269 PolarHBondContact O-N 2.97Å; L266-A270 WeakPolarHBondContact O-CB 3.18Å; L266-A270 PolarHBondContact O-N 3.35Å
267M93.7Very high94.9Very high25 Ų2562.7 Ų62.712%0.12334%0.336CS..Hα-helixtrans-59.3-51.4171.7-73.2-60.5-73.700111.4L246 I249 A262 P263 L264 L269 A270 I271L246-M267 HydrophobicContact CD1-CE 4.28Å; I249-M267 HydrophobicContact CB-SD 4.3Å; I249-M267 HydrophobicContact CD1-SD 4.23Å; I249-M267 HydrophobicContact CG2-SD 3.39Å; I249-M267 WeakPolarHBondContact CG2-SD 3.38Å; A262-M267 HydrophobicContact CB-CG 4.35Å; A262-M267 HydrophobicContact CB-SD 4.35Å; P263-M267 PolarHBondContact O-N 3.44Å; L264-M267 PolarHBondContact O-N 2.99Å; M267-L269 VanDerWaalsContact C-N 3.29Å; M267-L269 PolarHBondContact O-N 2.92Å; M267-A270 PolarHBondContact O-N 3.47Å; M267-I271 VanDerWaalsContact O-CG1 3.31Å; M267-I271 WeakPolarHBondContact O-CG1 3.02Å; M267-I271 PolarHBondContact O-N 3.38Å
268Y94.2Very high95.1Very high25 Ų2557.9 Ų57.910%0.09831%0.305CS..Hα-helixtrans-62.3-36.7176.9-67.5-31.2000112.8M1 Y6 L264 I271 V272M1-Y268 VanDerWaalsContact CE-CB 3.48Å; M1-Y268 HydrophobicContact CE-CG 4.48Å; Y6-Y268 HydrophobicContact CD1-CD1 4.48Å; Y6-Y268 HydrophobicContact CD1-CE1 4.46Å; Y6-Y268 HydrophobicContact CD2-CD1 4.17Å; Y6-Y268 HydrophobicContact CD2-CG 4.02Å; Y6-Y268 HydrophobicContact CE1-CD1 4.4Å; Y6-Y268 HydrophobicContact CE1-CE1 4.36Å; Y6-Y268 HydrophobicContact CE2-CD1 4.08Å; Y6-Y268 HydrophobicContact CE2-CG 4.34Å; Y6-Y268 HydrophobicContact CG-CD1 4.38Å; Y6-Y268 HydrophobicContact CG-CD2 4.42Å; Y6-Y268 HydrophobicContact CG-CG 4.23Å; L264-Y268 HydrophobicContact CD1-CE1 4.08Å; L264-Y268 HydrophobicContact CD1-CE2 3.95Å; L264-Y268 HydrophobicContact CD2-CE2 3.68Å; L264-Y268 HydrophobicContact CG-CD2 3.99Å; L264-Y268 HydrophobicContact CG-CE2 3.52Å; L264-Y268 PolarHBondContact O-N 2.91Å; Y268-I271 HydrophobicContact CD1-CD1 4.44Å; Y268-I271 PolarHBondContact O-N 3.44Å; Y268-V272 WeakPolarHBondContact O-CB 3.26Å; Y268-V272 VanDerWaalsContact O-CG2 3.28Å; Y268-V272 WeakPolarHBondContact O-CG2 3.46Å; Y268-V272 PolarHBondContact O-N 3.32Å
269L96.1Very high95.2Very high89 Ų8951 Ų5147%0.46627%0.268SS..Hα-helixtrans-63.3-43.2175-177.266.3000111.7W265 L266 M267 V272 L273W265-L269 HydrophobicContact CZ3-CD2 4.13Å; W265-L269 VanDerWaalsContact O-CB 3.31Å; W265-L269 WeakPolarHBondContact O-CB 3.41Å; W265-L269 PolarHBondContact O-N 3.44Å; L266-L269 PolarHBondContact O-N 2.97Å; M267-L269 VanDerWaalsContact C-N 3.29Å; M267-L269 PolarHBondContact O-N 2.92Å; L269-V272 PolarHBondContact O-N 3.3Å; L269-L273 VanDerWaalsContact O-CB 3.26Å; L269-L273 WeakPolarHBondContact O-CB 3.15Å; L269-L273 PolarHBondContact O-N 3.31Å
270A97Very high95.2Very high4 Ų450 Ų503%0.03326%0.261CS..Hα-helixtrans-65.9-38.5177.900000112.3L246 I249 L266 M267 L273 S274L246-A270 HydrophobicContact CB-CB 4.2Å; L246-A270 HydrophobicContact CD1-CB 4.1Å; I249-A270 HydrophobicContact CD1-CB 3.79Å; L266-A270 WeakPolarHBondContact O-CB 3.18Å; L266-A270 PolarHBondContact O-N 3.35Å; M267-A270 PolarHBondContact O-N 3.47Å; A270-L273 PolarHBondContact O-N 3.04Å; A270-S274 PolarHBondContact O-N 3.44Å
271I96Very high95.2Very high38 Ų3842.5 Ų42.520%0.19522%0.22CC..Hα-helixtrans-65.8-48.2174.6-65.9165.4000110.8L246 M267 Y268 L273 S274 H275L246-I271 HydrophobicContact CD1-CG1 4.16Å; M267-I271 VanDerWaalsContact O-CG1 3.31Å; M267-I271 WeakPolarHBondContact O-CG1 3.02Å; M267-I271 PolarHBondContact O-N 3.38Å; Y268-I271 HydrophobicContact CD1-CD1 4.44Å; Y268-I271 PolarHBondContact O-N 3.44Å; I271-L273 PolarHBondContact O-N 3.45Å; I271-S274 PolarHBondContact O-N 2.83Å; I271-S274 VanDerWaalsContact O-N 3.16Å; I271-S274 PolarHBondContact O-OG 2.97Å; I271-H275 VanDerWaalsContact CG2-CE1 3.46Å; I271-H275 WeakPolarHBondContact CG2-CE1 3.45Å; I271-H275 PolarHBondContact O-N 3.21Å
272V97.2Very high95.3Very high16 Ų1636.7 Ų36.710%0.09719%0.194CC..Hα-helixtrans-57.9-41.4176163.20000111.1M1 Y6 V9 E10 I13 Y268 L269 H275 T276M1-V272 HydrophobicContact CE-CG2 4.14Å; Y6-V272 HydrophobicContact CD2-CG2 3.92Å; Y6-V272 HydrophobicContact CE2-CG2 3.9Å; V9-V272 HydrophobicContact CG1-CG1 3.68Å; V9-V272 HydrophobicContact CG1-CG2 4.14Å; E10-V272 HydrophobicContact CG-CG2 4.3Å; I13-V272 HydrophobicContact CD1-CG1 3.72Å; Y268-V272 WeakPolarHBondContact O-CB 3.26Å; Y268-V272 VanDerWaalsContact O-CG2 3.28Å; Y268-V272 WeakPolarHBondContact O-CG2 3.46Å; Y268-V272 PolarHBondContact O-N 3.32Å; L269-V272 PolarHBondContact O-N 3.3Å; V272-H275 PolarHBondContact O-N 3.32Å; V272-T276 WeakPolarHBondContact O-CB 3.43Å; V272-T276 PolarHBondContact O-N 3.14Å; V272-T276 PolarHBondContact O-OG1 3.26Å
273L97.3Very high95.3Very high61 Ų6140.7 Ų40.732%0.31921%0.206SC..Hα-helixtrans-65.4-40.2178.3-179.663.1000112.1C242 P245 L269 A270 I271 T276C242-L273 WeakPolarHBondContact CB-O 3.44Å; C242-L273 PolarHBondContact SG-O 3.22Å; P245-L273 HydrophobicContact CB-CD2 4.4Å; P245-L273 HydrophobicContact CG-CD2 3.83Å; L269-L273 VanDerWaalsContact O-CB 3.26Å; L269-L273 WeakPolarHBondContact O-CB 3.15Å; L269-L273 PolarHBondContact O-N 3.31Å; A270-L273 PolarHBondContact O-N 3.04Å; I271-L273 PolarHBondContact O-N 3.45Å; L273-T276 PolarHBondContact O-N 2.05Å
274S97.1Very high95.2Very high2 Ų238.7 Ų38.71%0.01419%0.192CC..Hα-helixtrans-66.7-40.5176.574.50000111.6C242 A270 I271 T276 N277C242-S274 WeakPolarHBondContact O-CA 3.31Å; C242-S274 PolarHBondContact O-N 3.48Å; A270-S274 PolarHBondContact O-N 3.44Å; I271-S274 PolarHBondContact O-N 2.83Å; I271-S274 VanDerWaalsContact O-N 3.16Å; I271-S274 PolarHBondContact O-OG 2.97Å; S274-T276 PolarHBondContact O-N 3.41Å; S274-N277 WeakPolarHBondContact O-CB 3.45Å; S274-N277 PolarHBondContact O-N 3.34Å
275H97.4Very high95.2Very high6 Ų633.7 Ų33.73%0.02817%0.165CC..Hα-helixtrans-67.8-33.7175.9-65.3164.4000113.1E10 I13 I57 I271 V272 N277 S278E10-H275 VanDerWaalsContact CD-ND1 3.27Å; E10-H275 IonicContact OE1-CE1 3.47Å; E10-H275 PolarHBondContact OE1-CE1 3.46Å; E10-H275 IonicContact OE1-ND1 2.96Å; E10-H275 PolarHBondContact OE1-ND1 3.33Å; E10-H275 IonicContact OE2-CE1 3.75Å; E10-H275 IonicContact OE2-CG 3.73Å; E10-H275 IonicContact OE2-ND1 2.81Å; E10-H275 PolarHBondContact OE2-ND1 2.97Å; I13-H275 HydrophobicContact CG2-CB 4.05Å; I57-H275 HydrophobicContact CD1-CB 4.19Å; I57-H275 HydrophobicContact CG1-CB 4.32Å; I271-H275 VanDerWaalsContact CG2-CE1 3.46Å; I271-H275 WeakPolarHBondContact CG2-CE1 3.45Å; I271-H275 PolarHBondContact O-N 3.21Å; V272-H275 PolarHBondContact O-N 3.32Å; H275-N277 PolarHBondContact O-N 3.04Å; H275-N277 VanDerWaalsContact O-N 3.15Å; H275-S278 WeakPolarHBondContact O-CB 3.23Å; H275-S278 PolarHBondContact O-N 2.83Å; H275-S278 PolarHBondContact O-OG 3.05Å
276T97.1Very high95.1Very high43 Ų4328.2 Ų28.226%0.26415%0.15SC..Hα-helixtrans-58.8-25.8175.6-60.20000112.4I13 V272 L273 S274 S278 V279 V280I13-T276 WeakPolarHBondContact CD1-OG1 3.45Å; V272-T276 WeakPolarHBondContact O-CB 3.43Å; V272-T276 PolarHBondContact O-N 3.14Å; V272-T276 PolarHBondContact O-OG1 3.26Å; L273-T276 PolarHBondContact O-N 2.05Å; S274-T276 PolarHBondContact O-N 3.41Å; T276-S278 PolarHBondContact O-N 3.39Å; T276-S278 VanDerWaalsContact O-N 3.15Å; T276-V279 WeakPolarHBondContact O-CB 3.2Å; T276-V279 PolarHBondContact O-N 3.49Å; T276-V280 HydrophobicContact CG2-CG1 4.45Å; T276-V280 PolarHBondContact O-N 2.64Å
277N95.4Very high94.9Very high4 Ų434.2 Ų34.22%0.02117%0.17CC..Hα-helixtrans-53.4-34.6172.7-177.374.8000112.7F239 C242 S274 H275 V279 V280F239-N277 VanDerWaalsContact CA-OD1 3.32Å; F239-N277 WeakPolarHBondContact CA-OD1 3.26Å; C242-N277 HydrophobicContact CB-CB 3.75Å; S274-N277 WeakPolarHBondContact O-CB 3.45Å; S274-N277 PolarHBondContact O-N 3.34Å; H275-N277 PolarHBondContact O-N 3.04Å; H275-N277 VanDerWaalsContact O-N 3.15Å; N277-V279 PolarHBondContact O-N 2.95Å; N277-V280 VanDerWaalsContact O-CG2 3.25Å; N277-V280 WeakPolarHBondContact O-CG2 3.44Å; N277-V280 PolarHBondContact O-N 3.26Å
278S96.5Very high94.6Very high3 Ų336.4 Ų36.42%0.02118%0.177CC..Hα-helixtrans-70-18.5-179.9-45.80000112.6N21 V52 H275 T276N21-S278 PolarHBondContact ND2-O 3.46Å; V52-S278 WeakPolarHBondContact CG1-OG 3.45Å; H275-S278 WeakPolarHBondContact O-CB 3.23Å; H275-S278 PolarHBondContact O-N 2.83Å; H275-S278 PolarHBondContact O-OG 3.05Å; T276-S278 PolarHBondContact O-N 3.39Å; T276-S278 VanDerWaalsContact O-N 3.15Å
279V97.2Very high94.3Very high13 Ų1337.4 Ų37.48%0.07918%0.183CC..Hα-helixtrans-89.8-33.9-179.2179.20000111.7I13 L16 A17 T276 N277 N281 P282 F283I13-V279 HydrophobicContact CG2-CG2 3.78Å; L16-V279 HydrophobicContact CB-CG1 3.8Å; L16-V279 HydrophobicContact CB-CG2 3.94Å; L16-V279 HydrophobicContact CD1-CG1 4.32Å; A17-V279 HydrophobicContact CB-CG2 4.03Å; T276-V279 WeakPolarHBondContact O-CB 3.2Å; T276-V279 PolarHBondContact O-N 3.49Å; N277-V279 PolarHBondContact O-N 2.95Å; V279-N281 PolarHBondContact O-N 3.33Å; V279-P282 WeakPolarHBondContact O-CD 3.19Å; V279-F283 HydrophobicContact CG1-CD2 4.4Å; V279-F283 HydrophobicContact CG1-CE2 3.81Å; V279-F283 VanDerWaalsContact O-CD2 3.24Å; V279-F283 WeakPolarHBondContact O-CD2 3.29Å
280V94.8Very high94Very high37 Ų3740.3 Ų40.322%0.22419%0.188CC..Hα-helixtrans-71.8-28.1-168.7-62.60000113.8T276 N277 F283 I284T276-V280 HydrophobicContact CG2-CG1 4.45Å; T276-V280 PolarHBondContact O-N 2.64Å; N277-V280 VanDerWaalsContact O-CG2 3.25Å; N277-V280 WeakPolarHBondContact O-CG2 3.44Å; N277-V280 PolarHBondContact O-N 3.26Å; V280-F283 PolarHBondContact O-N 3.01Å; V280-F283 VanDerWaalsContact O-N 3.16Å; V280-I284 HydrophobicContact CB-CD1 4.37Å; V280-I284 HydrophobicContact CG2-CD1 4.25Å; V280-I284 WeakPolarHBondContact O-CG1 3.39Å; V280-I284 PolarHBondContact O-N 3.38Å
281N92Very high93.7Very high2 Ų244.3 Ų44.31%0.01121%0.206CC..Hα-helixtrans-56.6-53.8-173.3-69.9-24.7000113.5D49 V279 F283 I284 Y285D49-N281 PolarHBondContact OD2-ND2 3.39Å; V279-N281 PolarHBondContact O-N 3.33Å; N281-F283 VanDerWaalsContact C-N 3.29Å; N281-F283 PolarHBondContact O-N 3.05Å; N281-I284 WeakPolarHBondContact O-CB 3.29Å; N281-I284 PolarHBondContact O-N 3.27Å; N281-I284 VanDerWaalsContact O-N 3.11Å; N281-Y285 HydrophobicContact CB-CE2 4.05Å; N281-Y285 WeakPolarHBondContact O-CD2 3.33Å; N281-Y285 PolarHBondContact O-N 3.14Å
282P94.4Very high93.6Very high8 Ų842.6 Ų42.65%0.05220%0.197CC..Hα-helixtrans-53-40.8174.6-27.832.1000114.6G20 V24 V279 Y285 A286G20-P282 WeakPolarHBondContact O-CG 3.47Å; V24-P282 HydrophobicContact CG2-CB 4Å; V24-P282 HydrophobicContact CG2-CG 3.88Å; V279-P282 WeakPolarHBondContact O-CD 3.19Å; P282-Y285 PolarHBondContact O-N 3.01Å; P282-A286 WeakPolarHBondContact O-CB 3.1Å; P282-A286 PolarHBondContact O-N 3.24Å
283F93.8Very high93.4Very high113 Ų11346.6 Ų46.650%0.49621%0.211SC..Hα-helixtrans-66.2-42.7178.4-67.5-83.3000111.1V279 V280 N281 Y285 A286 Y287V279-F283 HydrophobicContact CG1-CD2 4.4Å; V279-F283 HydrophobicContact CG1-CE2 3.81Å; V279-F283 VanDerWaalsContact O-CD2 3.24Å; V279-F283 WeakPolarHBondContact O-CD2 3.29Å; V280-F283 PolarHBondContact O-N 3.01Å; V280-F283 VanDerWaalsContact O-N 3.16Å; N281-F283 VanDerWaalsContact C-N 3.29Å; N281-F283 PolarHBondContact O-N 3.05Å; F283-Y285 VanDerWaalsContact C-N 3.31Å; F283-Y285 PolarHBondContact O-N 3Å; F283-A286 PolarHBondContact O-N 2.98Å; F283-Y287 VanDerWaalsContact O-CD2 3.25Å; F283-Y287 WeakPolarHBondContact O-CD2 3.41Å; F283-Y287 PolarHBondContact O-N 3.49Å
284I91.7Very high93.3Very high18 Ų1848 Ų489%0.09222%0.216CC..Hα-helixtrans-58.9-46.4176.5-61.5162.8000109.9I235 L238 V280 N281 A286 Y287 R288I235-I284 HydrophobicContact CD1-CG2 4.14Å; I235-I284 HydrophobicContact CG1-CB 4.43Å; I235-I284 HydrophobicContact CG1-CD1 3.83Å; I235-I284 HydrophobicContact CG1-CG2 3.77Å; L238-I284 HydrophobicContact CD1-CD1 3.46Å; L238-I284 VanDerWaalsContact CD1-CD1 3.46Å; L238-I284 HydrophobicContact CD1-CG1 4.22Å; V280-I284 HydrophobicContact CB-CD1 4.37Å; V280-I284 HydrophobicContact CG2-CD1 4.25Å; V280-I284 WeakPolarHBondContact O-CG1 3.39Å; V280-I284 PolarHBondContact O-N 3.38Å; N281-I284 WeakPolarHBondContact O-CB 3.29Å; N281-I284 PolarHBondContact O-N 3.27Å; N281-I284 VanDerWaalsContact O-N 3.11Å; I284-A286 PolarHBondContact O-N 3.18Å; I284-Y287 PolarHBondContact O-N 3.44Å; I284-R288 HydrophobicContact CG2-CG 4.01Å; I284-R288 WeakPolarHBondContact O-CB 3.25Å; I284-R288 VanDerWaalsContact O-CG 3.22Å; I284-R288 WeakPolarHBondContact O-CG 3.35Å; I284-R288 PolarHBondContact O-N 3.41Å
285Y91.2Very high93.1Very high4 Ų448.5 Ų48.52%0.01622%0.218CC..Hα-helixtrans-61.7-43177.1-54.3-38.6000112V24 V42 I235 N281 P282 F283 Y287 I289V24-Y285 HydrophobicContact CG1-CD2 4.32Å; V24-Y285 HydrophobicContact CG1-CE2 4.25Å; V24-Y285 HydrophobicContact CG2-CD2 3.82Å; V24-Y285 HydrophobicContact CG2-CE2 4.17Å; V42-Y285 HydrophobicContact CG1-CD2 4.43Å; V42-Y285 HydrophobicContact CG1-CE1 4.38Å; V42-Y285 HydrophobicContact CG1-CE2 3.66Å; I235-Y285 HydrophobicContact CD1-CD1 4.35Å; I235-Y285 HydrophobicContact CD1-CE1 3.52Å; N281-Y285 HydrophobicContact CB-CE2 4.05Å; N281-Y285 WeakPolarHBondContact O-CD2 3.33Å; N281-Y285 PolarHBondContact O-N 3.14Å; P282-Y285 PolarHBondContact O-N 3.01Å; F283-Y285 VanDerWaalsContact C-N 3.31Å; F283-Y285 PolarHBondContact O-N 3Å; Y285-Y287 PolarHBondContact O-N 3.05Å; Y285-I289 HydrophobicContact CD1-CD1 3.8Å; Y285-I289 WeakPolarHBondContact O-CA 3.38Å; Y285-I289 WeakPolarHBondContact O-CB 3.1Å; Y285-I289 PolarHBondContact O-N 2.93Å
286A92.3Very high93Very high24 Ų2448.7 Ų48.720%0.19822%0.219CC..Hα-helixtrans-63.5-39.2178.300000113.1P282 F283 I284 R293 F296P282-A286 WeakPolarHBondContact O-CB 3.1Å; P282-A286 PolarHBondContact O-N 3.24Å; F283-A286 PolarHBondContact O-N 2.98Å; I284-A286 PolarHBondContact O-N 3.18Å; A286-R293 VanDerWaalsContact O-CB 3.29Å; A286-R293 WeakPolarHBondContact O-CB 3.31Å; A286-R293 VanDerWaalsContact O-CD 3.28Å; A286-R293 WeakPolarHBondContact O-CD 3.36Å; A286-R293 WeakPolarHBondContact O-CG 3.4Å; A286-F296 HydrophobicContact CB-CD2 3.9Å; A286-F296 HydrophobicContact CB-CE2 4.03Å
287Y91.3Very high92.9Very high183 Ų18352.4 Ų52.472%0.71823%0.228SC*.Hα-helixtrans-80.1-36.9-180-82.2-75.8000112.7F283 I284 Y285F283-Y287 VanDerWaalsContact O-CD2 3.25Å; F283-Y287 WeakPolarHBondContact O-CD2 3.41Å; F283-Y287 PolarHBondContact O-N 3.49Å; I284-Y287 PolarHBondContact O-N 3.44Å; Y285-Y287 PolarHBondContact O-N 3.05Å
288R87Confident92.7Very high72 Ų7259.3 Ų59.327%0.27226%0.258SS..Hα-helixtrans-100.4-26.8-167.2-57.8-68.5-64.8163.86.8114.2H227 S231 I284H227-R288 PolarHBondContact CE1-NH1 2.87Å; H227-R288 PolarHBondContact CE1-NH2 3.43Å; H227-R288 VanDerWaalsContact CE1-NH2 3.26Å; H227-R288 PolarHBondContact NE2-NH2 2.99Å; H227-R288 VanDerWaalsContact NE2-NH2 3.18Å; H227-R288 PolarHBondContact O-NH2 2.86Å; S231-R288 VanDerWaalsContact OG-CZ 3.32Å; S231-R288 PolarHBondContact OG-NE 3.36Å; S231-R288 PolarHBondContact OG-NH2 3.28Å; I284-R288 HydrophobicContact CG2-CG 4.01Å; I284-R288 WeakPolarHBondContact O-CB 3.25Å; I284-R288 VanDerWaalsContact O-CG 3.22Å; I284-R288 WeakPolarHBondContact O-CG 3.35Å; I284-R288 PolarHBondContact O-N 3.41Å
289I87.4Confident92.5Very high45 Ų4559.4 Ų59.423%0.23126%0.258CS..  trans-115.6114.2-174.6-49.7175.1000109.7Y285 E291 F292 R293Y285-I289 HydrophobicContact CD1-CD1 3.8Å; Y285-I289 WeakPolarHBondContact O-CA 3.38Å; Y285-I289 WeakPolarHBondContact O-CB 3.1Å; Y285-I289 PolarHBondContact O-N 2.93Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 3.01Å; I289-F292 HydrophobicContact CB-CB 4.25Å; I289-F292 HydrophobicContact CB-CD2 3.96Å; I289-F292 HydrophobicContact CD1-CD2 3.85Å; I289-F292 HydrophobicContact CD1-CE2 4.2Å; I289-F292 HydrophobicContact CG2-CB 4.46Å; I289-F292 HydrophobicContact CG2-CD2 3.79Å; I289-F292 PolarHBondContact O-N 3.32Å; I289-R293 PolarHBondContact O-N 2.84Å
290R89.7Confident92.3Very high150 Ų15062.1 Ų62.157%0.56627%0.271SS*.Hα-helixtrans-62.7-41-172.8-179.3-179.4177.2173.60.7111.8R293 Q294R290-R293 PolarHBondContact O-N 3.09Å; R290-Q294 HydrophobicContact CG-CG 4.37Å; R290-Q294 VanDerWaalsContact NE-NE2 3.17Å; R290-Q294 WeakPolarHBondContact O-CB 3.28Å; R290-Q294 WeakPolarHBondContact O-CG 3.3Å; R290-Q294 PolarHBondContact O-N 3.1Å
291E91.4Very high92Very high89 Ų8965.9 Ų65.942%0.41628%0.282SS..Hα-helixtrans-65.2-44.3-177-6769.2-154.800110.6L34 I289 T295L34-E291 HydrophobicContact CD2-CB 3.63Å; L34-E291 HydrophobicContact CG-CB 4.4Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 3.01Å; E291-T295 WeakPolarHBondContact O-CB 3.37Å; E291-T295 PolarHBondContact O-N 3.28Å; E291-T295 PolarHBondContact O-OG1 2.93Å
292F93.1Very high91.8Very high1 Ų168.1 Ų68.10%0.00430%0.297CS..Hα-helixtrans-61.3-50.4171.5-88.2-72.3000111.2V24 A27 V28 L34 V42 I289 Q294 T295 F296V24-F292 HydrophobicContact CG1-CE1 4.17Å; A27-F292 HydrophobicContact CB-CD1 4.12Å; A27-F292 HydrophobicContact CB-CE1 4.24Å; V28-F292 HydrophobicContact CG2-CE1 3.79Å; V28-F292 HydrophobicContact CG2-CZ 3.72Å; L34-F292 HydrophobicContact CD1-CD1 3.93Å; L34-F292 HydrophobicContact CD1-CE1 4Å; L34-F292 HydrophobicContact CD1-CG 4.27Å; L34-F292 HydrophobicContact CD1-CZ 4.39Å; L34-F292 HydrophobicContact CD2-CD2 3.94Å; L34-F292 HydrophobicContact CD2-CE2 3.95Å; L34-F292 HydrophobicContact CD2-CG 4.3Å; L34-F292 HydrophobicContact CD2-CZ 4.31Å; V42-F292 HydrophobicContact CG1-CZ 4.39Å; I289-F292 HydrophobicContact CB-CB 4.25Å; I289-F292 HydrophobicContact CB-CD2 3.96Å; I289-F292 HydrophobicContact CD1-CD2 3.85Å; I289-F292 HydrophobicContact CD1-CE2 4.2Å; I289-F292 HydrophobicContact CG2-CB 4.46Å; I289-F292 HydrophobicContact CG2-CD2 3.79Å; I289-F292 PolarHBondContact O-N 3.32Å; F292-Q294 VanDerWaalsContact C-N 3.32Å; F292-Q294 PolarHBondContact O-N 2.8Å; F292-T295 PolarHBondContact O-N 3.18Å; F292-T295 VanDerWaalsContact O-N 3.1Å; F292-F296 HydrophobicContact CB-CE2 4.44Å; F292-F296 HydrophobicContact CB-CZ 4.39Å; F292-F296 AromaticContact CD1-CE1 3.75Å; F292-F296 HydrophobicContact CD1-CE1 3.75Å; F292-F296 AromaticContact CD1-CZ 3.71Å; F292-F296 HydrophobicContact CD1-CZ 3.71Å; F292-F296 HydrophobicContact CE1-CE1 4.47Å; F292-F296 HydrophobicContact CE1-CZ 4.47Å; F292-F296 HydrophobicContact CG-CZ 4.43Å; F292-F296 WeakPolarHBondContact O-CB 3.31Å; F292-F296 VanDerWaalsContact O-CG 3.29Å; F292-F296 WeakPolarHBondContact O-CG 3.47Å; F292-F296 PolarHBondContact O-N 3.27Å
293R94.1Very high91.4Very high101 Ų10172.5 Ų72.538%0.38132%0.317SS..Hα-helixtrans-55.4-44.9179.9-173.2172.656.6-147.23.8113.1A286 I289 R290 R297A286-R293 VanDerWaalsContact O-CB 3.29Å; A286-R293 WeakPolarHBondContact O-CB 3.31Å; A286-R293 VanDerWaalsContact O-CD 3.28Å; A286-R293 WeakPolarHBondContact O-CD 3.36Å; A286-R293 WeakPolarHBondContact O-CG 3.4Å; I289-R293 PolarHBondContact O-N 2.84Å; R290-R293 PolarHBondContact O-N 3.09Å; R293-R297 WeakPolarHBondContact O-CB 3.5Å; R293-R297 PolarHBondContact O-N 3.02Å; R293-R297 VanDerWaalsContact O-N 3.11Å
294Q93.9Very high90.9Very high91 Ų9172 Ų7243%0.42532%0.323SS..Hα-helixtrans-66-42.4178.7-74176.4-22.300111.2R290 F292 R297 K298R290-Q294 HydrophobicContact CG-CG 4.37Å; R290-Q294 VanDerWaalsContact NE-NE2 3.17Å; R290-Q294 WeakPolarHBondContact O-CB 3.28Å; R290-Q294 WeakPolarHBondContact O-CG 3.3Å; R290-Q294 PolarHBondContact O-N 3.1Å; F292-Q294 VanDerWaalsContact C-N 3.32Å; F292-Q294 PolarHBondContact O-N 2.8Å; Q294-R297 PolarHBondContact O-N 2.73Å; Q294-K298 PolarHBondContact O-N 3.33Å
295T94.4Very high90.4Very high11 Ų1176.1 Ų76.17%0.06735%0.345CS..Hα-helixtrans-66.9-45.2179.5-50.50000111.2A27 N31 L34 E291 F292 R297 K298 I299A27-T295 HydrophobicContact CB-CG2 3.7Å; N31-T295 HydrophobicContact CB-CG2 4.03Å; N31-T295 PolarHBondContact ND2-OG1 3.48Å; L34-T295 HydrophobicContact CD1-CG2 4.48Å; E291-T295 WeakPolarHBondContact O-CB 3.37Å; E291-T295 PolarHBondContact O-N 3.28Å; E291-T295 PolarHBondContact O-OG1 2.93Å; F292-T295 PolarHBondContact O-N 3.18Å; F292-T295 VanDerWaalsContact O-N 3.1Å; T295-R297 VanDerWaalsContact C-N 3.34Å; T295-R297 PolarHBondContact O-N 3.05Å; T295-K298 WeakPolarHBondContact O-CB 3.32Å; T295-K298 PolarHBondContact O-N 3.3Å; T295-K298 VanDerWaalsContact O-N 3.13Å; T295-I299 HydrophobicContact CG2-CD1 4.04Å; T295-I299 HydrophobicContact CG2-CG1 4.5Å; T295-I299 WeakPolarHBondContact O-CG1 3.05Å; T295-I299 PolarHBondContact O-N 3.03Å
296F95.3Very high89.7Confident11 Ų1186.2 Ų86.25%0.04838%0.383CS..Hα-helixtrans-56.5-46.8174.3-69.5-8.6000111.8L23 V24 A27 A286 F292 K298 I299 I300L23-F296 HydrophobicContact CD1-CD1 4.16Å; L23-F296 HydrophobicContact CD2-CB 4.2Å; L23-F296 HydrophobicContact CD2-CD1 3.9Å; L23-F296 HydrophobicContact CD2-CD2 4.19Å; L23-F296 HydrophobicContact CD2-CE1 4.27Å; L23-F296 HydrophobicContact CD2-CG 3.85Å; L23-F296 HydrophobicContact CG-CD1 3.62Å; L23-F296 HydrophobicContact CG-CE1 3.78Å; L23-F296 HydrophobicContact CG-CG 4.12Å; L23-F296 HydrophobicContact CG-CZ 4.41Å; L23-F296 WeakPolarHBondContact O-CE1 3.34Å; V24-F296 HydrophobicContact CG2-CZ 3.94Å; A27-F296 HydrophobicContact CB-CD1 3.75Å; A27-F296 HydrophobicContact CB-CE1 3.49Å; A27-F296 VanDerWaalsContact CB-CE1 3.49Å; A286-F296 HydrophobicContact CB-CD2 3.9Å; A286-F296 HydrophobicContact CB-CE2 4.03Å; F292-F296 HydrophobicContact CB-CE2 4.44Å; F292-F296 HydrophobicContact CB-CZ 4.39Å; F292-F296 AromaticContact CD1-CE1 3.75Å; F292-F296 HydrophobicContact CD1-CE1 3.75Å; F292-F296 AromaticContact CD1-CZ 3.71Å; F292-F296 HydrophobicContact CD1-CZ 3.71Å; F292-F296 HydrophobicContact CE1-CE1 4.47Å; F292-F296 HydrophobicContact CE1-CZ 4.47Å; F292-F296 HydrophobicContact CG-CZ 4.43Å; F292-F296 WeakPolarHBondContact O-CB 3.31Å; F292-F296 VanDerWaalsContact O-CG 3.29Å; F292-F296 WeakPolarHBondContact O-CG 3.47Å; F292-F296 PolarHBondContact O-N 3.27Å; F296-K298 VanDerWaalsContact C-N 3.3Å; F296-K298 PolarHBondContact O-N 2.98Å; F296-I299 PolarHBondContact O-N 3.41Å; F296-I300 WeakPolarHBondContact O-CB 3.48Å; F296-I300 VanDerWaalsContact O-CG1 3.26Å; F296-I300 WeakPolarHBondContact O-CG1 3.39Å; F296-I300 PolarHBondContact O-N 3.43Å
297R93.1Very high88.4Confident121 Ų12190.8 Ų90.846%0.45740%0.4SS..Hα-helixtrans-60.8-40.2177.4-170-178.5-61.9144.3-1.3112.1R293 Q294 T295 R301R293-R297 WeakPolarHBondContact O-CB 3.5Å; R293-R297 PolarHBondContact O-N 3.02Å; R293-R297 VanDerWaalsContact O-N 3.11Å; Q294-R297 PolarHBondContact O-N 2.73Å; T295-R297 VanDerWaalsContact C-N 3.34Å; T295-R297 PolarHBondContact O-N 3.05Å; R297-R301 WeakPolarHBondContact O-CB 3.43Å; R297-R301 WeakPolarHBondContact O-CG 3.47Å; R297-R301 PolarHBondContact O-N 3.24Å
298K92.6Very high86.5Confident149 Ų14990.8 Ų90.865%0.64841%0.407SS*.Hα-helixtrans-65.1-45.5176.9-172.5178.6179.1-178.30111.5Q294 T295 F296 S302Q294-K298 PolarHBondContact O-N 3.33Å; T295-K298 WeakPolarHBondContact O-CB 3.32Å; T295-K298 PolarHBondContact O-N 3.3Å; T295-K298 VanDerWaalsContact O-N 3.13Å; F296-K298 VanDerWaalsContact C-N 3.3Å; F296-K298 PolarHBondContact O-N 2.98Å; K298-S302 WeakPolarHBondContact O-CB 3.49Å; K298-S302 PolarHBondContact O-N 3.16Å
299I92.6Very high84.9Confident4 Ų493.5 Ų93.52%0.02142%0.422CS..Hα-helixtrans-60.1-51.6177.2-66.7167.8000110.1L23 W26 A27 L30 T295 F296 R301 S302 H303L23-I299 HydrophobicContact CD1-CB 4.06Å; L23-I299 HydrophobicContact CD1-CD1 3.94Å; L23-I299 HydrophobicContact CD1-CG2 3.67Å; W26-I299 HydrophobicContact CB-CD1 4.43Å; W26-I299 HydrophobicContact CD2-CG2 4.1Å; W26-I299 HydrophobicContact CE3-CG2 3.72Å; W26-I299 HydrophobicContact CG-CD1 4.29Å; W26-I299 HydrophobicContact CH2-CG2 4.22Å; W26-I299 HydrophobicContact CZ3-CG2 3.79Å; A27-I299 HydrophobicContact CB-CD1 4.05Å; L30-I299 HydrophobicContact CD1-CD1 3.91Å; L30-I299 HydrophobicContact CD1-CG1 3.71Å; T295-I299 HydrophobicContact CG2-CD1 4.04Å; T295-I299 HydrophobicContact CG2-CG1 4.5Å; T295-I299 WeakPolarHBondContact O-CG1 3.05Å; T295-I299 PolarHBondContact O-N 3.03Å; F296-I299 PolarHBondContact O-N 3.41Å; I299-R301 PolarHBondContact O-N 3.02Å; I299-S302 PolarHBondContact O-N 3.28Å; I299-H303 WeakPolarHBondContact O-CB 3.35Å; I299-H303 PolarHBondContact O-N 3.35Å
300I91.5Very high82.8Confident70 Ų7096.4 Ų96.436%0.35944%0.444SS..Iπ-helixtrans-61.3-46.2-178-65.8166.1000111L23 F296 V304 L305L23-I300 HydrophobicContact CD2-CD1 4.4Å; F296-I300 WeakPolarHBondContact O-CB 3.48Å; F296-I300 VanDerWaalsContact O-CG1 3.26Å; F296-I300 WeakPolarHBondContact O-CG1 3.39Å; F296-I300 PolarHBondContact O-N 3.43Å; I300-V304 HydrophobicContact CG2-CB 4.4Å; I300-V304 WeakPolarHBondContact O-CA 3.49Å; I300-V304 VanDerWaalsContact O-CB 3.3Å; I300-V304 WeakPolarHBondContact O-CB 3.36Å; I300-V304 PolarHBondContact O-N 3.29Å; I300-V304 VanDerWaalsContact O-N 3.13Å; I300-L305 HydrophobicContact CG2-CD1 4.2Å; I300-L305 HydrophobicContact CG2-CG 4.37Å; I300-L305 PolarHBondContact O-N 2.68Å
301R89.8Confident80.4Confident116 Ų11698.7 Ų98.744%0.43846%0.459SS..Iπ-helixtrans-65.1-47.3179.3-74.5179.9179.1-177.7-5113R297 I299 R306 Q307R297-R301 WeakPolarHBondContact O-CB 3.43Å; R297-R301 WeakPolarHBondContact O-CG 3.47Å; R297-R301 PolarHBondContact O-N 3.24Å; I299-R301 PolarHBondContact O-N 3.02Å; R301-R306 PolarHBondContact O-N 3.13Å; R301-Q307 PolarHBondContact O-N 3.12Å
302S86.3Confident78.3Confident49 Ų49103.7 Ų103.734%0.34348%0.479SS..Iπ-helixtrans-78.4-37.7-172.5-179.80000113.2K298 I299K298-S302 WeakPolarHBondContact O-CB 3.49Å; K298-S302 PolarHBondContact O-N 3.16Å; I299-S302 PolarHBondContact O-N 3.28Å
303H85.9Confident75.6Confident101 Ų101107.6 Ų107.647%0.46851%0.511SS..Iπ-helixtrans-109-33.9-169.7-62.879.5000113.2W26 I299W26-H303 HydrophobicContact CH2-CB 3.85Å; W26-H303 AromaticContact CH2-CG 3.96Å; W26-H303 HydrophobicContact CZ2-CB 4.42Å; W26-H303 AromaticContact CZ2-CD2 3.85Å; I299-H303 WeakPolarHBondContact O-CB 3.35Å; I299-H303 PolarHBondContact O-N 3.35Å
304V83.6Confident73.1Confident102 Ų102107.7 Ų107.762%0.61853%0.534SS*.Iπ-helixtrans-89.9-49.4-179.7-176.10000110.7I300I300-V304 HydrophobicContact CG2-CB 4.4Å; I300-V304 WeakPolarHBondContact O-CA 3.49Å; I300-V304 VanDerWaalsContact O-CB 3.3Å; I300-V304 WeakPolarHBondContact O-CB 3.36Å; I300-V304 PolarHBondContact O-N 3.29Å; I300-V304 VanDerWaalsContact O-N 3.13Å
305L81.6Confident70.6Confident104 Ų104106.4 Ų106.455%0.54555%0.545SS..SBendtrans-87.5-4.5-179.5-61.9173.2000113.3I300 Q307I300-L305 HydrophobicContact CG2-CD1 4.2Å; I300-L305 HydrophobicContact CG2-CG 4.37Å; I300-L305 PolarHBondContact O-N 2.68Å; L305-Q307 HydrophobicContact CB-CG 4.31Å; L305-Q307 PolarHBondContact O-N 3.05Å
306R76.8Confident67.9Low217 Ų217112.9 Ų112.982%0.81959%0.585SS**  trans44.631.1-176.4-80.1-174171-175.4-1.5114R301 Q308R301-R306 PolarHBondContact O-N 3.13Å; R306-Q308 PolarHBondContact O-N 3.36Å; R306-Q308 VanDerWaalsContact O-N 3.08Å
307Q64.4Low65.3Low120 Ų120117.1 Ų117.156%0.56162%0.616SS**  trans-73.4106.7170.4-70.1-175.1-17.500106.6R301 L305 E309R301-Q307 PolarHBondContact O-N 3.12Å; L305-Q307 HydrophobicContact CB-CG 4.31Å; L305-Q307 PolarHBondContact O-N 3.05Å; Q307-E309 PolarHBondContact O-N 3.32Å; Q307-E309 VanDerWaalsContact O-N 3.1Å
308Q52.7Low62.6Low183 Ų183116.3 Ų116.386%0.85564%0.635SS**PPolyproline II helixtrans-58117.9166.3-74.4-166.7-17.300106.9R306 P310R306-Q308 PolarHBondContact O-N 3.36Å; R306-Q308 VanDerWaalsContact O-N 3.08Å; Q308-P310 VanDerWaalsContact O-CD 3.31Å; Q308-P310 WeakPolarHBondContact O-CD 3.05Å; Q308-P310 VanDerWaalsContact O-N 3.11Å
309E53.6Low59.9Low129 Ų129120.9 Ų120.960%0.60365%0.648SS**PPolyproline II helixtrans-56.4118.8162.9-76.3-93141.100105.5Q307 F311Q307-E309 PolarHBondContact O-N 3.32Å; Q307-E309 VanDerWaalsContact O-N 3.1Å; E309-F311 PolarHBondContact O-N 2.85Å
310P43Very low57.2Low106 Ų106126.1 Ų126.169%0.68868%0.68SS**PPolyproline II helixtrans-56.2123.7174.222.1-29.8000106.2Q308 K312Q308-P310 VanDerWaalsContact O-CD 3.31Å; Q308-P310 WeakPolarHBondContact O-CD 3.05Å; Q308-P310 VanDerWaalsContact O-N 3.11Å; P310-K312 PolarHBondContact O-N 3.29Å
311F38.5Very low54.7Low198 Ų198131.6 Ų131.687%0.86871%0.709SS**  trans-49.6102.2178.7-160.2-93.7000107.3E309 A313E309-F311 PolarHBondContact O-N 2.85Å; F311-A313 PolarHBondContact O-N 3.08Å
312K46.6Very low52.1Low193 Ų193131 Ų13184%0.83973%0.729SS**  trans-6991.2168.4-83.1-173.3178.1-179.90105P310 A314P310-K312 PolarHBondContact O-N 3.29Å; K312-A314 PolarHBondContact O-N 3.35Å
313A37.9Very low50Low83 Ų83132.3 Ų132.369%0.68674%0.743SS**  trans-49.1110.4164.600000106.8F311 G315F311-A313 PolarHBondContact O-N 3.08Å; A313-G315 PolarHBondContact O-N 3.27Å
314A41.3Very low47.6Very low103 Ų103137 Ų13785%0.85176%0.764SS**  trans-65.7108174.700000107.6K312K312-A314 PolarHBondContact O-N 3.35Å
315G40.3Very low45Very low65 Ų65135.6 Ų135.667%0.6777%0.771SS**  trans56108148.100000118.2A313A313-G315 PolarHBondContact O-N 3.27Å
316T37.9Very low42.8Very low147 Ų147135.8 Ų135.890%0.90278%0.781SS**  -153.1124.8125.6-16.60000110.6
317S42.3Very low40.8Very low100 Ų100132.7 Ų132.770%0.69978%0.781SS**  trans56.984.4153.9-139.20000119.3
318A35Very low39.4Very low104 Ų104130.4 Ų130.486%0.8679%0.79SS**SBendtrans-136.238.3157.600000111.5
319R36.2Very low38.3Very low244 Ų244130.6 Ų130.692%0.92179%0.79SS**SBendtrans-134.314.4175-99-172.6176175.4-1.6115
320V36.8Very low37.4Very low115 Ų115133.8 Ų133.870%0.69781%0.805SS**SBendtrans-108.1-6.1178.4179.60000113.6
321L37.3Very low36.8Very low185 Ų185134.2 Ų134.297%0.96981%0.806SS**SBendtrans-100.617.9-176.1-80.5161.6000115.7
322A36.9Very low36.4Very low103 Ų103130.2 Ų130.285%0.85180%0.802SS**SBendtrans-112.824.2176.300000113.5
323A41.4Very low35.6Very low76 Ų76128.3 Ų128.363%0.62880%0.8SS**SBendtrans-152.878.6172.900000109.4
324H34.8Very low35.1Very low199 Ų199135.2 Ų135.292%0.92181%0.809SS**  trans178.5123.6142.4-99.1-68.7000110.5
325G30.5Very low34.5Very low73 Ų73138.1 Ų138.175%0.75381%0.809SS**  trans84.3103135.900000118.2
326S35.4Very low33.9Very low109 Ų109142.2 Ų142.276%0.76282%0.816SS**  trans-45.2129.4140.6-169.40000110.6
327D34Very low33.4Very low151 Ų151138.7 Ų138.781%0.80781%0.808SS**  160.7160.1126.3-80.4-10.5000110.6
328G34.2Very low32.7Very low73 Ų73143.2 Ų143.275%0.75382%0.818SS**  trans-59.9157.8-161.300000115.5
329E30.9Very low33.3Very low186 Ų186143.4 Ų143.487%0.86981%0.81SS**  157.1122.6122.1-155155.9134.100110V331E329-V331 PolarHBondContact O-N 2.03Å
330Q34.8Very low33.2Very low197 Ų197138 Ų13892%0.92181%0.807SS**  trans-68.3118.9172.6-106175.2-8.400109.4
331V30.5Very low32.8Very low115 Ų115135.9 Ų135.970%0.69781%0.808SS**  trans-132.4107.2160.1-178.70000109.7E329 L333E329-V331 PolarHBondContact O-N 2.03Å; V331-L333 HydrophobicContact CG1-CD1 4.33Å
332S30Very low32.5Very low113 Ų113133.2 Ų133.279%0.7980%0.8SS**  trans-77.3126.3165.558.90000110.1
333L28.6Very low32.1Very low153 Ų153140.4 Ų140.480%0.80181%0.805SS**  trans-134.6102.2160.9-91.8161.2000109.8V331V331-L333 HydrophobicContact CG1-CD1 4.33Å
334R27.6Very low31.5Very low229 Ų229140 Ų14086%0.86480%0.802SS**  trans-72.4138.3160-84.6-176.2169.2171.2-3108.8
335L29Very low31.3Very low163 Ų163138.5 Ų138.585%0.85380%0.8SS**  trans-143.2116146.3-104118.2000110.8
336N28.4Very low31.2Very low152 Ų152138.2 Ų138.281%0.81380%0.798SS**  trans-48.5151.7157.2-67.9-26.7000109.5
337G27.2Very low30.8Very low72 Ų72139.3 Ų139.374%0.74281%0.805SS**  cis121.312334.600000108.2
338H28.2Very low30.8Very low195 Ų195136.6 Ų136.690%0.90380%0.804SS**  trans101.2141.4162.1-85.41.6000122.8
339P45.7Very low30.7Very low108 Ų108139.3 Ų139.370%0.70181%0.808SS**  trans-108.7174.8-167.142-29.2000113.1
340P35.8Very low30.6Very low131 Ų131139.1 Ų139.185%0.85181%0.807SS**  trans-135.2150.9136.625.6-6.7000110.5
341G28.5Very low31.1Very low70 Ų70134.6 Ų134.672%0.72280%0.795SS**  cis118108.939.200000107.5
342V30.2Very low30.9Very low130 Ų130138.5 Ų138.579%0.78881%0.805SS**  trans-49.5137.9-178172.60000114
343W28.3Very low30.8Very low253 Ų253144.3 Ų144.396%0.95881%0.81SS**  trans-142.7126.2144.3-80.691.3000111.1
344A30.2Very low30.9Very low69 Ų69148.7 Ų148.757%0.5782%0.816SS**  trans-103.4136.6168.600000109
345N30Very low31.7Very low166 Ų166142.5 Ų142.589%0.88881%0.806SS**  156.4125.6129.2-87.5-14.8000112.3
346G28.6Very low31.7Very low68 Ų68141.8 Ų141.870%0.70180%0.803SS**  99125.5121.300000119.5
347S26.8Very low31.7Very low131 Ų131137.5 Ų137.592%0.91679%0.794SS**  trans89.7118.714964.30000120.1
348A33.5Very low31.7Very low95 Ų95144.9 Ų144.979%0.78580%0.801SS**  trans-88.7162.1169.600000110.7
349P32.3Very low31.7Very low129 Ų129140.6 Ų140.684%0.83880%0.799SS**  -147.1159.59632.4-12.4000116.5
350H28.5Very low30.9Very low182 Ų182144 Ų14484%0.84381%0.811SS**  trans-59.3-177.6165-100.2-59.6000113.3
351P45.5Very low30.5Very low103 Ų103140.5 Ų140.567%0.66980%0.799SS**  cis-133.7168.6-28.334.7-17.1000112.5
352E25.6Very low30.4Very low196 Ų196144.8 Ų144.892%0.91680%0.804SS**  trans168.3149132.6-101.1-170.9128.700114.6
353R29.2Very low30.2Very low235 Ų235144.8 Ų144.889%0.88780%0.804SS**  trans-76.9146.6173.4-71.9173.1172.9177.3-3111
354R30Very low30.1Very low245 Ų245138.4 Ų138.493%0.92580%0.798SS**  -169.7163.2128.4-101.8-145.7-164.4-175.75.9113.1
355P45Very low29.9Very low100 Ų100138.3 Ų138.365%0.64980%0.804SS**  trans-104.8177.2-150.842.5-36.6000113.6
356N29.3Very low29.7Very low148 Ų148134.3 Ų134.379%0.79180%0.802SS**  trans176124.6146.5-82.4-20.3000106.4
357G27Very low29.5Very low62 Ų62135.9 Ų135.964%0.63980%0.802SS**  cis98.788.12500000109.9
358Y28.1Very low29.5Very low227 Ų227135.4 Ų135.489%0.8979%0.794SS**  trans-146.8103.4153-66.3-71.2000109.4
359A28.1Very low29.1Very low104 Ų104139 Ų13986%0.8679%0.794SS**  trans-96.9141.8158.500000107.8
360L29.1Very low28.8Very low180 Ų180141.2 Ų141.294%0.94279%0.794SS**  trans-118.2110.1165.6-124.3148.4000105.9
361G26.1Very low28.6Very low58 Ų58138.2 Ų138.260%0.59879%0.793SS**  trans-101.2167172.300000111.7
362L26.2Very low27.6Very low159 Ų159142.3 Ų142.383%0.83280%0.803SS**  trans169.9110.7135-88.9161000106.8
363V27.5Very low27.6Very low130 Ų130136.5 Ų136.579%0.78880%0.796SS**  81.6140.188.21640000110.9
364S26.4Very low27.4Very low120 Ų120132.7 Ų132.784%0.83979%0.793SS**  cis-157.2150.211.8-145.30000106.4
365G25.6Very low27.3Very low67 Ų67127.3 Ų127.369%0.69179%0.788SS**  157.8127.581.900000106.5
366G25.3Very low26.4Very low81 Ų81127.7 Ų127.784%0.83579%0.793SS**  83.812794.800000109.7
367S25.2Very low26.4Very low102 Ų102128.4 Ų128.471%0.71380%0.796SS**  cis-177.1158.79.342.90000107.3
368T25.8Very low27.1Very low120 Ų120130.4 Ų130.474%0.73680%0.798SS**  trans63.9142.7147.8470000119
369Q25.8Very low27.1Very low171 Ų171126.5 Ų126.580%0.79979%0.792SS**  cis-165.4162.416-140166-12.100110
370E25.2Very low27.2Very low176 Ų176127.3 Ų127.382%0.82279%0.786SS**  trans-56.7157.5175.3-61.5153.9103.600115.3
371S24.4Very low27.2Very low119 Ų119127 Ų12783%0.83278%0.78SS**  -170.3143.4118.9-167.20000112.6
372Q25.3Very low27.2Very low188 Ų188130.9 Ų130.988%0.87979%0.786SS**  trans-70.3167.3-178-62.4161.2-26.800114.6
373G25.8Very low27.3Very low74 Ų74131.4 Ų131.476%0.76379%0.789SS**  trans155.792.5146.700000117.9
374N25.3Very low27.3Very low156 Ų156129.2 Ų129.283%0.83478%0.779SS**  trans5.3138.8147.2-77.6-9.2000120.4
375T26.3Very low27.4Very low131 Ų131131.1 Ų131.180%0.80478%0.775SS**  174.9132.4101.624.20000114.2
376S26.4Very low27.6Very low108 Ų108136.6 Ų136.676%0.75578%0.782SS**  trans27134.5143.751.10000125.1
377L28.9Very low27.9Very low163 Ų163139.3 Ų139.385%0.85378%0.777SS**  trans-33.2176.2155.4-87.586.3000118
378P42.8Very low28.1Very low105 Ų105144 Ų14468%0.68278%0.784SS**  cis-140.2-178.91.429.5-4000117.1
379D27.8Very low28.2Very low144 Ų144141.6 Ų141.677%0.7778%0.784SS**  trans36.3131.7144.4-67.6-33.8000126.6
380V30.1Very low28.5Very low121 Ų121140.2 Ų140.273%0.73379%0.786SS**  54132.9127.2-171.90000122.1
381E28.3Very low28.7Very low175 Ų175137.9 Ų137.982%0.81879%0.788SS**  trans92.6142.1153-99.9176.9173.100122.2
382L26.9Very low29.5Very low139 Ų139138.1 Ų138.173%0.72879%0.787SS**  trans86110.2157.2-11975.6000119.8
383L28.8Very low30.2Very low169 Ų169138.2 Ų138.289%0.88579%0.787SS**  -163.389.3124.7-103.3151000110.4
384S26.4Very low30.8Very low85 Ų85140.2 Ų140.259%0.59479%0.787SS**  trans-62156.6142.147.90000110.8
385H28.5Very low31.8Very low160 Ų160139.1 Ų139.174%0.74179%0.788SS**  trans84.893.6165.9-107.3-95.5000117.3
386E31.1Very low32.1Very low182 Ų182136.1 Ų136.185%0.8578%0.783SS**  -152.5119.4119.6-100.1-57.7142.100107.8
387L30.8Very low32.4Very low137 Ų137138.5 Ų138.572%0.71779%0.786SS**  trans-140.2108.4-172.3-158.8166.8000104.7
388K29.4Very low32.7Very low201 Ų201137.3 Ų137.387%0.87478%0.781SS**  trans164.5124.6144.1-93.7162.3-176.4-178.60111
389G28.1Very low32.4Very low70 Ų70139.8 Ų139.872%0.72279%0.789SS**  trans162.187161.300000116.3
390V31.9Very low33.2Very low141 Ų141138 Ų13886%0.85579%0.785SS**  trans80.6106.6144.7-165.40000118.7
391C29.7Very low33.4Very low127 Ų127140.1 Ų140.186%0.85879%0.791SS**  trans-109144.1154.4-72.10000109.3
392P40.6Very low33.7Very low125 Ų125135.2 Ų135.281%0.81278%0.781SS**PPolyproline II helixtrans-95.4140.8169.413.93.4000113.3
393E40.3Very low34Very low189 Ų189138 Ų13888%0.88379%0.79SS**PPolyproline II helixtrans-74.6158.1170.1-77.7-176.8123.200113.4
394P39.2Very low34.2Very low117 Ų117133.5 Ų133.576%0.7678%0.784SS**PPolyproline II helixtrans-92.9152.7167.135.7-29.2000112.5
395P46.4Very low34.7Very low133 Ų133134.4 Ų134.486%0.86480%0.797SS**PPolyproline II helixtrans-86.6147.2-178.233.2-32.6000113.1
396G31.3Very low35.2Very low67 Ų67131.5 Ų131.569%0.69180%0.8SS**  trans-122.5150.5166.400000111.5
397L33.4Very low35.6Very low158 Ų158126.1 Ų126.183%0.82779%0.794SS**  trans178.8139.1163.3-84126.7000103.7
398D34.8Very low36.3Very low138 Ų138126.2 Ų126.274%0.73880%0.8SS**  cis-160.9157.20-84.6-41.1000106.2
399D36.2Very low36.8Very low157 Ų157125.8 Ų125.884%0.8482%0.822SS**  trans-123.9140.9163.9-128.6-12.7000107.4
400P46.1Very low37.3Very low108 Ų108128.6 Ų128.670%0.70183%0.827SS**  -149.8132.9126.734.5-17000114.1
401L33.3Very low37.5Very low165 Ų165127.9 Ų127.986%0.86483%0.826SS**  164.2125.5118-91.2156.5000113.5
402A34.1Very low38Very low72 Ų72127.9 Ų127.960%0.59582%0.824SS**  trans72.3115.7131.200000122.1
403Q34.5Very low37.8Very low198 Ų198128.1 Ų128.193%0.92583%0.825SS**  83.5119.9129-70.7173.45.300120.1
404G32.5Very low37.7Very low74 Ų74124.3 Ų124.376%0.76382%0.821SS**  135.2100.5118.900000117.6
405A36.4Very low37.6Very low104 Ų104124.8 Ų124.886%0.8683%0.825SS**  trans83.6125.213500000121.8
406A39.6Very low36.9Very low98 Ų98124.2 Ų124.281%0.8182%0.822SS**  trans83.6103.8137.400000119
407G38.7Very low37.4Very low70 Ų70128.6 Ų128.672%0.72283%0.833SS**  trans-86173.2144.300000111.4
408V45.5Very low37.7Very low138 Ų138126.2 Ų126.284%0.83683%0.833SS**  trans162.7132.6132.4160.80000108.9
409S40.8Very low38Very low192 Ų192125.1 Ų125.1100%1.34384%0.842SS**  trans690159.4-63.70000120.8

Retrieved 409 of 409 residues in 112.6 ms (Link to these results)

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