A0A087YEX7_POEFO Loading...

RUN domain-containing protein 3B

AlphaFold DB , UniProt , Accession A0A087YEX7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 423 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
1M43.7Very low42.6Very low202 Ų202118.1 Ų118.1100%0.99565%0.651SS**  0-35.30-71.5-165-156.400114.3S3 L4 S5M1-S3 PolarHBondContact O-N 3.49Å; M1-L4 PolarHBondContact O-N 2.85Å; M1-S5 PolarHBondContact O-N 2.79Å; M1-S5 VanDerWaalsContact O-N 3.16Å
2A36.8Very low44Very low85 Ų85123.4 Ų123.470%0.70265%0.654SS**Hα-helixtrans-62.2-35.4-179.200000115S5 R6A2-S5 PolarHBondContact O-N 3.28Å; A2-R6 WeakPolarHBondContact O-CB 3.35Å; A2-R6 PolarHBondContact O-N 2.86Å
3S34.9Very low45.9Very low92 Ų92120.1 Ų120.164%0.64365%0.647SS**Hα-helixtrans-67.7-36.5176.657.40000113.2M1 K7M1-S3 PolarHBondContact O-N 3.49Å; S3-K7 WeakPolarHBondContact O-CB 3.32Å; S3-K7 PolarHBondContact O-N 3.01Å; S3-K7 VanDerWaalsContact O-N 3.1Å
4L39.4Very low48.1Very low122 Ų122113.1 Ų113.164%0.63961%0.614SS**Hα-helixtrans-70.4-38.1176.1-78154.9000111.8M1 R8M1-L4 PolarHBondContact O-N 2.85Å; L4-R8 PolarHBondContact O-N 3.07Å
5S39.9Very low50.3Low84 Ų84109.2 Ų109.259%0.58760%0.595SS**Hα-helixtrans-68.9-39.9176.3-132.10000112.1M1 A2 R8 G9M1-S5 PolarHBondContact O-N 2.79Å; M1-S5 VanDerWaalsContact O-N 3.16Å; A2-S5 PolarHBondContact O-N 3.28Å; S5-R8 PolarHBondContact O-N 3.08Å; S5-G9 PolarHBondContact O-N 3.42Å
6R37.7Very low52.4Low214 Ų214107.2 Ų107.281%0.80859%0.587SS**Hα-helixtrans-65.9-38.4176.1-148174.9-159.5179.15.1112.2A2 G9 A10A2-R6 WeakPolarHBondContact O-CB 3.35Å; A2-R6 PolarHBondContact O-N 2.86Å; R6-G9 PolarHBondContact O-N 3.25Å; R6-A10 PolarHBondContact O-N 2.77Å; R6-A10 VanDerWaalsContact O-N 3.09Å
7K44.5Very low54.3Low172 Ų172105.9 Ų105.975%0.74858%0.576SS**Hα-helixtrans-67.7-37.4174-138.5174.6-175-177.70112S3 G11S3-K7 WeakPolarHBondContact O-CB 3.32Å; S3-K7 PolarHBondContact O-N 3.01Å; S3-K7 VanDerWaalsContact O-N 3.1Å; K7-G11 PolarHBondContact O-N 3.27Å; K7-G11 VanDerWaalsContact O-N 3.08Å
8R43.7Very low56.2Low184 Ų184102.6 Ų102.669%0.69455%0.554SS**Hα-helixtrans-65.3-39.1172.1-92.7-177.6179.1178.10113L4 S5 R12L4-R8 PolarHBondContact O-N 3.07Å; S5-R8 PolarHBondContact O-N 3.08Å; R8-R12 WeakPolarHBondContact O-CG 3.43Å; R8-R12 PolarHBondContact O-N 3Å; R8-R12 VanDerWaalsContact O-N 3.08Å
9G40.5Very low57.9Low40 Ų40102.6 Ų102.641%0.41255%0.548SS..Hα-helixtrans-66.4-46.7176.900000113.1S5 R6 G11 R12 S13S5-G9 PolarHBondContact O-N 3.42Å; R6-G9 PolarHBondContact O-N 3.25Å; G9-G11 PolarHBondContact O-N 3.04Å; G9-R12 PolarHBondContact O-N 3.32Å; G9-S13 PolarHBondContact O-N 2.95Å
10A50.4Low59.5Low66 Ų66101.9 Ų101.955%0.54554%0.544SS..Hα-helixtrans-63.7-39.7176.400000112.5R6 S13 A14R6-A10 PolarHBondContact O-N 2.77Å; R6-A10 VanDerWaalsContact O-N 3.09Å; A10-S13 PolarHBondContact O-N 3.35Å; A10-A14 PolarHBondContact O-N 3Å
11G57.2Low61Low38 Ų3897.2 Ų97.239%0.39252%0.52SS..Hα-helixtrans-64.7-39.517500000113.3K7 G9 A14 V15K7-G11 PolarHBondContact O-N 3.27Å; K7-G11 VanDerWaalsContact O-N 3.08Å; G9-G11 PolarHBondContact O-N 3.04Å; G11-A14 PolarHBondContact O-N 3.1Å; G11-V15 VanDerWaalsContact O-CG2 3.28Å; G11-V15 WeakPolarHBondContact O-CG2 3.42Å; G11-V15 PolarHBondContact O-N 3.26Å; G11-V15 VanDerWaalsContact O-N 3.11Å
12R59.2Low63.3Low182 Ų18288.5 Ų88.569%0.68748%0.477SS*.Hα-helixtrans-65-43.3175.1-76.9174.3174.8174.9-3.7112.1R8 G9 V15 V16R8-R12 WeakPolarHBondContact O-CG 3.43Å; R8-R12 PolarHBondContact O-N 3Å; R8-R12 VanDerWaalsContact O-N 3.08Å; G9-R12 PolarHBondContact O-N 3.32Å; R12-V15 PolarHBondContact O-N 3.38Å; R12-V16 VanDerWaalsContact O-CG2 3.3Å; R12-V16 WeakPolarHBondContact O-CG2 3.21Å; R12-V16 PolarHBondContact O-N 3.18Å
13S69Low66Low80 Ų8087 Ų8756%0.55946%0.459SS*.Hα-helixtrans-61.5-43.3176.91760000112.1G9 A10 V15 V16 E17G9-S13 PolarHBondContact O-N 2.95Å; A10-S13 PolarHBondContact O-N 3.35Å; S13-V15 PolarHBondContact O-N 3.38Å; S13-V16 PolarHBondContact O-N 3.23Å; S13-E17 PolarHBondContact O-N 2.64Å
14A76.3Confident68.8Low22 Ų2283.1 Ų83.118%0.18243%0.431CS..Hα-helixtrans-66.1-37.2177.400000113.2A10 G11 R18A10-A14 PolarHBondContact O-N 3Å; G11-A14 PolarHBondContact O-N 3.1Å; A14-R18 WeakPolarHBondContact O-CG 3.29Å; A14-R18 PolarHBondContact O-N 3.44Å
15V82Confident71.4Confident55 Ų5577.4 Ų77.433%0.33340%0.401SS..Hα-helixtrans-65.9-41.2175.2173.50000111.1G11 R12 S13 R18 K19G11-V15 VanDerWaalsContact O-CG2 3.28Å; G11-V15 WeakPolarHBondContact O-CG2 3.42Å; G11-V15 PolarHBondContact O-N 3.26Å; G11-V15 VanDerWaalsContact O-N 3.11Å; R12-V15 PolarHBondContact O-N 3.38Å; S13-V15 PolarHBondContact O-N 3.38Å; V15-R18 PolarHBondContact O-N 3.1Å; V15-K19 HydrophobicContact CG1-CD 4.27Å; V15-K19 WeakPolarHBondContact O-CG 3.38Å; V15-K19 PolarHBondContact O-N 3.26Å; V15-K19 VanDerWaalsContact O-N 3.14Å
16V83.2Confident74.1Confident77 Ų7780 Ų8047%0.46740%0.398SS..Hα-helixtrans-64.5-43.7177.7171.10000111.1R12 S13 R18 K19 N20R12-V16 VanDerWaalsContact O-CG2 3.3Å; R12-V16 WeakPolarHBondContact O-CG2 3.21Å; R12-V16 PolarHBondContact O-N 3.18Å; S13-V16 PolarHBondContact O-N 3.23Å; V16-R18 PolarHBondContact O-N 3.31Å; V16-K19 PolarHBondContact O-N 2.93Å; V16-N20 WeakPolarHBondContact O-CB 3.22Å; V16-N20 PolarHBondContact O-N 3.44Å; V16-N20 PolarHBondContact O-OD1 3.5Å
17E84.8Confident76.8Confident86 Ų8672.2 Ų72.240%0.40237%0.371SS..Hα-helixtrans-56.5-48.3176.6-176.7-176.8-177.800112.1S13 K19 N20 L21S13-E17 PolarHBondContact O-N 2.64Å; E17-K19 PolarHBondContact O-N 3.38Å; E17-N20 PolarHBondContact O-N 2.99Å; E17-L21 HydrophobicContact CG-CD1 4.34Å; E17-L21 PolarHBondContact O-N 3.03Å
18R89Confident79.2Confident46 Ų4664.1 Ų64.117%0.17434%0.335CS..Hα-helixtrans-59.6-48178.2-67.6-169.3-65.3162.17.1112.2A14 V15 V16 N20 L21 L22 G144 I146A14-R18 WeakPolarHBondContact O-CG 3.29Å; A14-R18 PolarHBondContact O-N 3.44Å; V15-R18 PolarHBondContact O-N 3.1Å; V16-R18 PolarHBondContact O-N 3.31Å; R18-N20 VanDerWaalsContact C-N 3.31Å; R18-N20 PolarHBondContact O-N 3.03Å; R18-L21 PolarHBondContact O-N 3.36Å; R18-L22 WeakPolarHBondContact O-CG 3.35Å; R18-L22 PolarHBondContact O-N 2.84Å; R18-G144 WeakPolarHBondContact CD-O 3.3Å; R18-I146 HydrophobicContact CB-CG1 3.93Å; R18-I146 HydrophobicContact CG-CD1 4.42Å; R18-I146 HydrophobicContact CG-CG1 3.58Å
19K88.1Confident81.7Confident102 Ų10255.6 Ų55.644%0.44330%0.304SS..Hα-helixtrans-61.2-41.1177.7-75.2-176.3173.8-172.90111.9V15 V16 E17 T23 E151V15-K19 HydrophobicContact CG1-CD 4.27Å; V15-K19 WeakPolarHBondContact O-CG 3.38Å; V15-K19 PolarHBondContact O-N 3.26Å; V15-K19 VanDerWaalsContact O-N 3.14Å; V16-K19 PolarHBondContact O-N 2.93Å; E17-K19 PolarHBondContact O-N 3.38Å; K19-T23 VanDerWaalsContact O-CB 3.25Å; K19-T23 WeakPolarHBondContact O-CB 3.46Å; K19-T23 PolarHBondContact O-N 3.02Å; K19-T23 PolarHBondContact O-OG1 3.27Å; K19-E151 WeakPolarHBondContact CE-OE1 3.32Å; K19-E151 WeakPolarHBondContact CG-OE1 3.29Å
20N89.3Confident84.3Confident88 Ų8858.9 Ų58.947%0.47131%0.307SS..Hα-helixtrans-64.6-47178.5-71.5-5.5000111.1V16 E17 R18 L22 T23 V24V16-N20 WeakPolarHBondContact O-CB 3.22Å; V16-N20 PolarHBondContact O-N 3.44Å; V16-N20 PolarHBondContact O-OD1 3.5Å; E17-N20 PolarHBondContact O-N 2.99Å; R18-N20 VanDerWaalsContact C-N 3.31Å; R18-N20 PolarHBondContact O-N 3.03Å; N20-L22 PolarHBondContact O-N 2.91Å; N20-T23 PolarHBondContact O-N 3.44Å; N20-V24 WeakPolarHBondContact O-CB 3.36Å; N20-V24 VanDerWaalsContact O-CG2 3.27Å; N20-V24 WeakPolarHBondContact O-CG2 3.17Å; N20-V24 PolarHBondContact O-N 2.87Å
21L91.2Very high86.4Confident5 Ų558 Ų583%0.02630%0.295CS..Hα-helixtrans-61.5-43.8178.3-79.7171.6000112.3E17 R18 V24 C25 R57 I58 I146 I184 Y186E17-L21 HydrophobicContact CG-CD1 4.34Å; E17-L21 PolarHBondContact O-N 3.03Å; R18-L21 PolarHBondContact O-N 3.36Å; L21-V24 PolarHBondContact O-N 3.06Å; L21-C25 WeakPolarHBondContact O-CB 3.23Å; L21-C25 PolarHBondContact O-N 2.72Å; L21-R57 HydrophobicContact CD1-CG 4.23Å; L21-R57 HydrophobicContact CD2-CG 4.03Å; L21-I58 HydrophobicContact CB-CG1 4.25Å; L21-I146 HydrophobicContact CB-CD1 3.96Å; L21-I146 HydrophobicContact CD1-CD1 3.7Å; L21-I146 HydrophobicContact CG-CD1 4.5Å; L21-I184 HydrophobicContact CD2-CD1 4.02Å; L21-Y186 WeakPolarHBondContact CD2-OH 3.46Å
22L93.3Very high88.2Confident19 Ų1956.2 Ų56.210%0.09928%0.276CS..Hα-helixtrans-65.5-39.7175.6-71.2175.4000112.2R18 N20 C25 R26 I146 E151 L155R18-L22 WeakPolarHBondContact O-CG 3.35Å; R18-L22 PolarHBondContact O-N 2.84Å; N20-L22 PolarHBondContact O-N 2.91Å; L22-C25 WeakPolarHBondContact O-CB 3.36Å; L22-C25 PolarHBondContact O-N 3.39Å; L22-R26 PolarHBondContact O-N 3.24Å; L22-I146 HydrophobicContact CD1-CG2 4.2Å; L22-I146 HydrophobicContact CD2-CG2 3.86Å; L22-I146 HydrophobicContact CG-CG2 4.08Å; L22-E151 HydrophobicContact CD1-CB 3.38Å; L22-E151 HydrophobicContact CD1-CG 4.39Å; L22-E151 WeakPolarHBondContact CD1-OE2 3.42Å; L22-L155 HydrophobicContact CD2-CB 3.93Å; L22-L155 HydrophobicContact CD2-CD1 4.25Å
23T92.3Very high89.9Confident52 Ų5249.8 Ų49.832%0.31926%0.255SS..Hα-helixtrans-63.2-43.8176.4-61.70000111.4K19 N20 R26 F27K19-T23 VanDerWaalsContact O-CB 3.25Å; K19-T23 WeakPolarHBondContact O-CB 3.46Å; K19-T23 PolarHBondContact O-N 3.02Å; K19-T23 PolarHBondContact O-OG1 3.27Å; N20-T23 PolarHBondContact O-N 3.44Å; T23-R26 WeakPolarHBondContact O-CB 3.46Å; T23-R26 PolarHBondContact O-N 3.28Å; T23-F27 HydrophobicContact CG2-CD2 3.95Å; T23-F27 HydrophobicContact CG2-CE2 3.45Å; T23-F27 VanDerWaalsContact CG2-CE2 3.45Å; T23-F27 HydrophobicContact CG2-CZ 4.02Å; T23-F27 WeakPolarHBondContact O-CD2 3.45Å; T23-F27 PolarHBondContact O-N 3.47Å
24V93.3Very high91Very high12 Ų1249.7 Ų49.77%0.07325%0.248CC..Hα-helixtrans-66.2-40.1177.3165.30000111N20 L21 R26 F27 S28 I54 I184 Y186 Y189N20-V24 WeakPolarHBondContact O-CB 3.36Å; N20-V24 VanDerWaalsContact O-CG2 3.27Å; N20-V24 WeakPolarHBondContact O-CG2 3.17Å; N20-V24 PolarHBondContact O-N 2.87Å; L21-V24 PolarHBondContact O-N 3.06Å; V24-R26 VanDerWaalsContact C-N 3.33Å; V24-R26 PolarHBondContact O-N 3.22Å; V24-F27 PolarHBondContact O-N 3.19Å; V24-S28 WeakPolarHBondContact O-CB 3.47Å; V24-S28 PolarHBondContact O-N 3.32Å; V24-I54 HydrophobicContact CG1-CD1 3.58Å; V24-I54 HydrophobicContact CG1-CG1 3.96Å; V24-I54 HydrophobicContact CG1-CG2 4.45Å; V24-I184 HydrophobicContact CG1-CG2 4.41Å; V24-Y186 HydrophobicContact CB-CE1 4.32Å; V24-Y186 HydrophobicContact CG1-CD1 4.16Å; V24-Y186 HydrophobicContact CG1-CE1 4.03Å; V24-Y186 HydrophobicContact CG2-CD1 3.76Å; V24-Y186 HydrophobicContact CG2-CE1 3.83Å; V24-Y189 HydrophobicContact CB-CD2 4.47Å; V24-Y189 HydrophobicContact CG1-CD2 3.64Å; V24-Y189 HydrophobicContact CG1-CE2 3.87Å; V24-Y189 HydrophobicContact CG1-CG 4.49Å; V24-Y189 HydrophobicContact CG2-CD2 4.41Å
25C95.6Very high91.6Very high1 Ų153.3 Ų53.31%0.00726%0.257CS..Hα-helixtrans-58.5-45.3171.9-174.10000111.7L21 L22 F27 S28 V29 I54 I58L21-C25 WeakPolarHBondContact O-CB 3.23Å; L21-C25 PolarHBondContact O-N 2.72Å; L22-C25 WeakPolarHBondContact O-CB 3.36Å; L22-C25 PolarHBondContact O-N 3.39Å; C25-F27 PolarHBondContact O-N 3.11Å; C25-S28 WeakPolarHBondContact O-CB 3.47Å; C25-S28 PolarHBondContact O-N 3.05Å; C25-V29 WeakPolarHBondContact O-CG2 3.4Å; C25-V29 PolarHBondContact O-N 3.45Å; C25-I54 HydrophobicContact CB-CG2 3.7Å; C25-I58 HydrophobicContact CB-CD1 3.62Å
26R95.2Very high92Very high138 Ų13852.4 Ų52.452%0.52125%0.254SS..Hα-helixtrans-60.8-43.3176.2-172.7-17666.9159.2-0.3112.7L22 T23 V24 K30 T158L22-R26 PolarHBondContact O-N 3.24Å; T23-R26 WeakPolarHBondContact O-CB 3.46Å; T23-R26 PolarHBondContact O-N 3.28Å; V24-R26 VanDerWaalsContact C-N 3.33Å; V24-R26 PolarHBondContact O-N 3.22Å; R26-K30 PolarHBondContact O-N 3.35Å; R26-T158 HydrophobicContact CB-CG2 4.04Å; R26-T158 HydrophobicContact CG-CG2 4.18Å
27F94.8Very high92.3Very high52 Ų5253.6 Ų53.623%0.22826%0.264CS..Hα-helixtrans-66-40.4175.3-67.9-42000112.1T23 V24 C25 K30 T31 Y189T23-F27 HydrophobicContact CG2-CD2 3.95Å; T23-F27 HydrophobicContact CG2-CE2 3.45Å; T23-F27 VanDerWaalsContact CG2-CE2 3.45Å; T23-F27 HydrophobicContact CG2-CZ 4.02Å; T23-F27 WeakPolarHBondContact O-CD2 3.45Å; T23-F27 PolarHBondContact O-N 3.47Å; V24-F27 PolarHBondContact O-N 3.19Å; C25-F27 PolarHBondContact O-N 3.11Å; F27-K30 WeakPolarHBondContact O-CB 3.4Å; F27-K30 PolarHBondContact O-N 3.24Å; F27-T31 PolarHBondContact O-N 3.39Å; F27-T31 PolarHBondContact O-OG1 3.01Å; F27-T31 VanDerWaalsContact O-OG1 3.06Å; F27-Y189 HydrophobicContact CB-CD1 3.41Å; F27-Y189 VanDerWaalsContact CB-CD1 3.41Å; F27-Y189 HydrophobicContact CB-CE1 3.78Å; F27-Y189 HydrophobicContact CB-CG 4.11Å; F27-Y189 HydrophobicContact CD2-CD1 4.45Å; F27-Y189 HydrophobicContact CG-CD1 4.3Å
28S95.7Very high92.3Very high1 Ų157.6 Ų57.61%0.00728%0.28CS..Hα-helixtrans-61.3-44.8176.6-175.40000112.3V24 C25 K30 T31 L32 F51 Y189V24-S28 WeakPolarHBondContact O-CB 3.47Å; V24-S28 PolarHBondContact O-N 3.32Å; C25-S28 WeakPolarHBondContact O-CB 3.47Å; C25-S28 PolarHBondContact O-N 3.05Å; S28-K30 VanDerWaalsContact C-N 3.34Å; S28-K30 PolarHBondContact O-N 3.32Å; S28-T31 WeakPolarHBondContact O-CB 3.33Å; S28-T31 PolarHBondContact O-N 3.24Å; S28-L32 WeakPolarHBondContact O-CG 3.49Å; S28-L32 PolarHBondContact O-N 2.94Å; S28-F51 WeakPolarHBondContact OG-CA 3.32Å; S28-F51 WeakPolarHBondContact OG-CB 3.33Å; S28-Y189 VanDerWaalsContact CA-OH 3.32Å; S28-Y189 WeakPolarHBondContact CA-OH 3.15Å; S28-Y189 VanDerWaalsContact CB-OH 3.29Å; S28-Y189 WeakPolarHBondContact CB-OH 3.19Å; S28-Y189 PolarHBondContact OG-OH 3.21Å
29V96.6Very high92.1Very high5 Ų559.4 Ų59.43%0.0329%0.291CS..Hα-helixtrans-60.9-43.3172.9170.60000111.4C25 T31 L32 L33 F51 T158 L159 L162C25-V29 WeakPolarHBondContact O-CG2 3.4Å; C25-V29 PolarHBondContact O-N 3.45Å; V29-T31 VanDerWaalsContact C-N 3.34Å; V29-T31 PolarHBondContact O-N 3.32Å; V29-L32 PolarHBondContact O-N 3.15Å; V29-L33 HydrophobicContact CG1-CD1 4.01Å; V29-L33 HydrophobicContact CG1-CG 4.48Å; V29-L33 WeakPolarHBondContact O-CG 3.32Å; V29-L33 PolarHBondContact O-N 3.09Å; V29-F51 HydrophobicContact CG2-CD2 4.12Å; V29-F51 HydrophobicContact CG2-CE2 3.64Å; V29-T158 HydrophobicContact CB-CG2 4.06Å; V29-T158 HydrophobicContact CG1-CG2 4.4Å; V29-T158 HydrophobicContact CG2-CG2 3.93Å; V29-L159 HydrophobicContact CG2-CD2 4.41Å; V29-L162 HydrophobicContact CB-CD2 4.34Å; V29-L162 HydrophobicContact CG1-CD2 3.83Å; V29-L162 HydrophobicContact CG1-CG 4.01Å; V29-L162 HydrophobicContact CG2-CD1 4.07Å; V29-L162 HydrophobicContact CG2-CD2 4.12Å; V29-L162 HydrophobicContact CG2-CG 4.14Å
30K94.5Very high92Very high110 Ų11059.8 Ų59.848%0.47830%0.302SS..Hα-helixtrans-60.2-43.9175.2175.8165.7173.644.50111.9R26 F27 S28 L32 L33 D34R26-K30 PolarHBondContact O-N 3.35Å; F27-K30 WeakPolarHBondContact O-CB 3.4Å; F27-K30 PolarHBondContact O-N 3.24Å; S28-K30 VanDerWaalsContact C-N 3.34Å; S28-K30 PolarHBondContact O-N 3.32Å; K30-L32 VanDerWaalsContact C-N 3.33Å; K30-L32 PolarHBondContact O-N 2.83Å; K30-L33 PolarHBondContact O-N 3.17Å; K30-D34 WeakPolarHBondContact CE-OD2 3.27Å; K30-D34 WeakPolarHBondContact CG-OD2 3.25Å; K30-D34 VanDerWaalsContact NZ-CG 3.33Å; K30-D34 IonicContact NZ-OD1 3.91Å; K30-D34 PolarHBondContact NZ-OD1 3.39Å; K30-D34 IonicContact NZ-OD2 2.9Å; K30-D34 PolarHBondContact NZ-OD2 2.64Å; K30-D34 WeakPolarHBondContact O-CB 3.17Å; K30-D34 VanDerWaalsContact O-CG 3.23Å; K30-D34 PolarHBondContact O-N 3.44Å
31T93.3Very high92Very high48 Ų4855.7 Ų55.729%0.29428%0.28SS..Hα-helixtrans-59.8-44.1176.7-610000111.3F27 S28 V29 D34 R35 E47F27-T31 PolarHBondContact O-N 3.39Å; F27-T31 PolarHBondContact O-OG1 3.01Å; F27-T31 VanDerWaalsContact O-OG1 3.06Å; S28-T31 WeakPolarHBondContact O-CB 3.33Å; S28-T31 PolarHBondContact O-N 3.24Å; V29-T31 VanDerWaalsContact C-N 3.34Å; V29-T31 PolarHBondContact O-N 3.32Å; T31-D34 PolarHBondContact O-N 3.4Å; T31-R35 VanDerWaalsContact O-CB 3.32Å; T31-R35 WeakPolarHBondContact O-CB 3.4Å; T31-R35 PolarHBondContact O-N 3.1Å; T31-E47 HydrophobicContact CG2-CB 4.26Å; T31-E47 HydrophobicContact CG2-CG 3.73Å
32L95Very high91.9Very high0 Ų058.9 Ų58.90%030%0.297CS..Hα-helixtrans-62.2-42.8176.2-72.3176.9000112.3S28 V29 K30 R35 S36 I41 E47 F48 F51 L162 I165S28-L32 WeakPolarHBondContact O-CG 3.49Å; S28-L32 PolarHBondContact O-N 2.94Å; V29-L32 PolarHBondContact O-N 3.15Å; K30-L32 VanDerWaalsContact C-N 3.33Å; K30-L32 PolarHBondContact O-N 2.83Å; L32-R35 PolarHBondContact O-N 3.05Å; L32-S36 WeakPolarHBondContact O-CB 3.33Å; L32-S36 PolarHBondContact O-N 3.2Å; L32-S36 PolarHBondContact O-OG 3.15Å; L32-I41 HydrophobicContact CD2-CG2 4.23Å; L32-E47 HydrophobicContact CD2-CB 3.84Å; L32-F48 HydrophobicContact CD2-CB 4.35Å; L32-F51 HydrophobicContact CD1-CB 3.62Å; L32-F51 HydrophobicContact CD1-CD1 3.91Å; L32-F51 HydrophobicContact CD1-CD2 3.96Å; L32-F51 HydrophobicContact CD1-CG 3.53Å; L32-F51 HydrophobicContact CG-CB 4.46Å; L32-L162 HydrophobicContact CB-CD2 4.28Å; L32-L162 HydrophobicContact CD1-CD2 3.93Å; L32-I165 HydrophobicContact CB-CD1 3.94Å
33L94.9Very high91.6Very high47 Ų4760 Ų6025%0.24630%0.303CS..Hα-helixtrans-61.3-50.8175.6-74.3167.3000111.6V29 K30 R35 S36 C37 G161 T164 I165V29-L33 HydrophobicContact CG1-CD1 4.01Å; V29-L33 HydrophobicContact CG1-CG 4.48Å; V29-L33 WeakPolarHBondContact O-CG 3.32Å; V29-L33 PolarHBondContact O-N 3.09Å; K30-L33 PolarHBondContact O-N 3.17Å; L33-R35 VanDerWaalsContact C-N 3.25Å; L33-R35 PolarHBondContact O-N 2.96Å; L33-S36 PolarHBondContact O-N 2.97Å; L33-S36 PolarHBondContact O-OG 3.08Å; L33-C37 PolarHBondContact O-SG 2.91Å; L33-G161 WeakPolarHBondContact CD2-O 3.45Å; L33-T164 WeakPolarHBondContact CD2-OG1 3.41Å; L33-I165 HydrophobicContact CD2-CD1 3.83Å; L33-I165 HydrophobicContact CD2-CG1 3.78Å; L33-I165 HydrophobicContact CG-CD1 4.13Å
34D92Very high91.3Very high78 Ų7861.8 Ų61.842%0.41732%0.318SS..Hα-helixtrans-60.9-37.8-179.7-66.7-19.8000110.7K30 T31 F38K30-D34 WeakPolarHBondContact CE-OD2 3.27Å; K30-D34 WeakPolarHBondContact CG-OD2 3.25Å; K30-D34 VanDerWaalsContact NZ-CG 3.33Å; K30-D34 IonicContact NZ-OD1 3.91Å; K30-D34 PolarHBondContact NZ-OD1 3.39Å; K30-D34 IonicContact NZ-OD2 2.9Å; K30-D34 PolarHBondContact NZ-OD2 2.64Å; K30-D34 WeakPolarHBondContact O-CB 3.17Å; K30-D34 VanDerWaalsContact O-CG 3.23Å; K30-D34 PolarHBondContact O-N 3.44Å; T31-D34 PolarHBondContact O-N 3.4Å; D34-F38 WeakPolarHBondContact O-CD2 3.34Å; D34-F38 VanDerWaalsContact O-CE2 3.25Å; D34-F38 WeakPolarHBondContact O-CE2 3.13Å
35R89Confident91.1Very high98 Ų9861.7 Ų61.737%0.3732%0.317SS..Hα-helixtrans-72.2-38.6178.3-16768-179.2164.46.8112.9T31 L32 L33 C37 F38 E39 I41T31-R35 VanDerWaalsContact O-CB 3.32Å; T31-R35 WeakPolarHBondContact O-CB 3.4Å; T31-R35 PolarHBondContact O-N 3.1Å; L32-R35 PolarHBondContact O-N 3.05Å; L33-R35 VanDerWaalsContact C-N 3.25Å; L33-R35 PolarHBondContact O-N 2.96Å; R35-C37 PolarHBondContact O-N 3.46Å; R35-C37 VanDerWaalsContact O-N 3.11Å; R35-F38 PolarHBondContact O-N 3.05Å; R35-E39 HydrophobicContact CG-CG 4.25Å; R35-E39 IonicContact CZ-OE1 2.73Å; R35-E39 IonicContact CZ-OE2 3.33Å; R35-E39 VanDerWaalsContact NE-CD 3.33Å; R35-E39 IonicContact NE-OE1 3.42Å; R35-E39 PolarHBondContact NE-OE1 3.16Å; R35-E39 IonicContact NE-OE2 3.79Å; R35-E39 IonicContact NH2-OE1 3.25Å; R35-E39 PolarHBondContact NH2-OE1 3.31Å; R35-E39 IonicContact NH2-OE2 2.78Å; R35-E39 PolarHBondContact NH2-OE2 3.18Å; R35-E39 PolarHBondContact O-N 3.22Å; R35-I41 HydrophobicContact CB-CD1 3.94Å; R35-I41 HydrophobicContact CG-CD1 3.74Å
36S91.1Very high90.8Very high36 Ų3666 Ų6625%0.25235%0.346SS..Hα-helixtrans-61.5-20.6-179.671.20000114L32 L33 F38 E39L32-S36 WeakPolarHBondContact O-CB 3.33Å; L32-S36 PolarHBondContact O-N 3.2Å; L32-S36 PolarHBondContact O-OG 3.15Å; L33-S36 PolarHBondContact O-N 2.97Å; L33-S36 PolarHBondContact O-OG 3.08Å; S36-F38 PolarHBondContact O-N 3.27Å; S36-E39 WeakPolarHBondContact CA-O 3.47Å
37C88.7Confident90.6Very high102 Ų10262 Ų6269%0.68933%0.333SS*.THydrogen-bonded Turntrans-66.6-20.2173.6-64.50000113.5L33 R35L33-C37 PolarHBondContact O-SG 2.91Å; R35-C37 PolarHBondContact O-N 3.46Å; R35-C37 VanDerWaalsContact O-N 3.11Å
38F86.7Confident90.5Very high170 Ų17059.5 Ų59.575%0.74632%0.322SS*.THydrogen-bonded Turntrans-113.8-31-172.8-57.7-77.3000113.1D34 R35 S36D34-F38 WeakPolarHBondContact O-CD2 3.34Å; D34-F38 VanDerWaalsContact O-CE2 3.25Å; D34-F38 WeakPolarHBondContact O-CE2 3.13Å; R35-F38 PolarHBondContact O-N 3.05Å; S36-F38 PolarHBondContact O-N 3.27Å
39E84.6Confident90.3Very high83 Ų8362.7 Ų62.739%0.38834%0.341SS..SBendtrans-151.4156.9-178.665.2-173.9-16800112.1R35 S36R35-E39 HydrophobicContact CG-CG 4.25Å; R35-E39 IonicContact CZ-OE1 2.73Å; R35-E39 IonicContact CZ-OE2 3.33Å; R35-E39 VanDerWaalsContact NE-CD 3.33Å; R35-E39 IonicContact NE-OE1 3.42Å; R35-E39 PolarHBondContact NE-OE1 3.16Å; R35-E39 IonicContact NE-OE2 3.79Å; R35-E39 IonicContact NH2-OE1 3.25Å; R35-E39 PolarHBondContact NH2-OE1 3.31Å; R35-E39 IonicContact NH2-OE2 2.78Å; R35-E39 PolarHBondContact NH2-OE2 3.18Å; R35-E39 PolarHBondContact O-N 3.22Å; S36-E39 WeakPolarHBondContact CA-O 3.47Å
40T86.2Confident90.1Very high110 Ų11063.1 Ų63.168%0.67534%0.343SS*.  trans-69.2131.1171.3520000110D42T40-D42 PolarHBondContact O-N 3.02Å
41I89.1Confident90.2Very high2 Ų257.9 Ų57.91%0.0132%0.321CS..BIsolated β-bridgetrans-79.6116.7179-53.3-59.8000109.6L32 R35 F48 I165 F167L32-I41 HydrophobicContact CD2-CG2 4.23Å; R35-I41 HydrophobicContact CB-CD1 3.94Å; R35-I41 HydrophobicContact CG-CD1 3.74Å; I41-F48 HydrophobicContact CG2-CB 3.86Å; I41-F48 HydrophobicContact CG2-CD2 4.48Å; I41-F48 HydrophobicContact CG2-CG 4.35Å; I41-I165 HydrophobicContact CG1-CG2 4.15Å; I41-F167 HydrophobicContact CB-CD1 3.95Å; I41-F167 HydrophobicContact CB-CE1 4Å; I41-F167 HydrophobicContact CG1-CE1 4.47Å; I41-F167 HydrophobicContact CG2-CD1 4.06Å; I41-F167 HydrophobicContact CG2-CE1 3.92Å
42D87.9Confident90.2Very high72 Ų7256 Ų5639%0.38531%0.309SS..  trans-98.8177.3175.77520.5000112.7T40 S44 S45T40-D42 PolarHBondContact O-N 3.02Å; D42-S44 PolarHBondContact O-N 3.48Å; D42-S44 WeakPolarHBondContact OD1-CA 3.42Å; D42-S44 PolarHBondContact OD1-N 3.48Å; D42-S44 PolarHBondContact OD1-OG 2.87Å; D42-S44 PolarHBondContact OD2-OG 3.16Å; D42-S45 PolarHBondContact OD1-N 3.22Å
43D87.4Confident90.2Very high42 Ų4256.6 Ų56.623%0.22531%0.313CS..THydrogen-bonded Turntrans-74.3-11.2-176.8-15911.6000113.4F48 R115 F169D43-F48 VanDerWaalsContact OD1-CE1 3.25Å; D43-F48 WeakPolarHBondContact OD1-CE1 3.39Å; D43-R115 VanDerWaalsContact CG-NE 3.26Å; D43-R115 IonicContact OD1-CZ 2.64Å; D43-R115 IonicContact OD1-NE 2.79Å; D43-R115 PolarHBondContact OD1-NE 3.4Å; D43-R115 IonicContact OD1-NH2 2.81Å; D43-R115 PolarHBondContact OD1-NH2 3.34Å; D43-R115 IonicContact OD2-CZ 3.79Å; D43-R115 IonicContact OD2-NE 2.77Å; D43-R115 PolarHBondContact OD2-NE 3.29Å; D43-R115 IonicContact OD2-NH2 3.86Å; D43-F169 HydrophobicContact CB-CD1 3.87Å
44S86.1Confident90.1Very high91 Ų9154.3 Ų54.364%0.63630%0.301SS*.THydrogen-bonded Turntrans-99.5-13.1-177.873.30000113.5D42D42-S44 PolarHBondContact O-N 3.48Å; D42-S44 WeakPolarHBondContact OD1-CA 3.42Å; D42-S44 PolarHBondContact OD1-N 3.48Å; D42-S44 PolarHBondContact OD1-OG 2.87Å; D42-S44 PolarHBondContact OD2-OG 3.16Å
45S88.8Confident90.3Very high9 Ų950.6 Ų50.66%0.06328%0.281CS..  trans-53.1125.6176.3154.70000111D42 E47 F48 V49D42-S45 PolarHBondContact OD1-N 3.22Å; S45-E47 PolarHBondContact O-N 3.4Å; S45-E47 PolarHBondContact OG-N 3.16Å; S45-E47 PolarHBondContact OG-OE2 3.24Å; S45-F48 PolarHBondContact O-N 2.89Å; S45-F48 VanDerWaalsContact O-N 3.11Å; S45-F48 PolarHBondContact OG-N 3.38Å; S45-F48 VanDerWaalsContact OG-N 3.16Å; S45-V49 WeakPolarHBondContact O-CG2 3.2Å; S45-V49 PolarHBondContact O-N 2.94Å
46P88.8Confident90.6Very high92 Ų9246.6 Ų46.660%0.59727%0.267SS*.Hα-helixtrans-62.8-31.917824.9-32.9000111.8N50P46-N50 VanDerWaalsContact O-CB 3.27Å; P46-N50 WeakPolarHBondContact O-CB 3.38Å; P46-N50 PolarHBondContact O-N 3.05Å
47E91.5Very high90.7Very high53 Ų5349.7 Ų49.725%0.24827%0.273CS..Hα-helixtrans-62.6-43.9174.4-5875.9-167.800111.1T31 L32 S45 F51T31-E47 HydrophobicContact CG2-CB 4.26Å; T31-E47 HydrophobicContact CG2-CG 3.73Å; L32-E47 HydrophobicContact CD2-CB 3.84Å; S45-E47 PolarHBondContact O-N 3.4Å; S45-E47 PolarHBondContact OG-N 3.16Å; S45-E47 PolarHBondContact OG-OE2 3.24Å; E47-F51 WeakPolarHBondContact O-CB 3.31Å; E47-F51 PolarHBondContact O-N 2.69Å
48F92.9Very high91Very high0 Ų044.9 Ų44.90%024%0.24CC..Hα-helixtrans-67.6-47.4177.3176.7-106.9000112.1L32 I41 D43 S45 N50 F51 V52 R115 L118 F167 F169L32-F48 HydrophobicContact CD2-CB 4.35Å; I41-F48 HydrophobicContact CG2-CB 3.86Å; I41-F48 HydrophobicContact CG2-CD2 4.48Å; I41-F48 HydrophobicContact CG2-CG 4.35Å; D43-F48 VanDerWaalsContact OD1-CE1 3.25Å; D43-F48 WeakPolarHBondContact OD1-CE1 3.39Å; S45-F48 PolarHBondContact O-N 2.89Å; S45-F48 VanDerWaalsContact O-N 3.11Å; S45-F48 PolarHBondContact OG-N 3.38Å; S45-F48 VanDerWaalsContact OG-N 3.16Å; F48-N50 VanDerWaalsContact C-N 3.26Å; F48-N50 PolarHBondContact O-N 3.29Å; F48-F51 HydrophobicContact CE2-CD1 4.49Å; F48-F51 WeakPolarHBondContact O-CB 3.44Å; F48-F51 PolarHBondContact O-N 2.81Å; F48-F51 VanDerWaalsContact O-N 3.11Å; F48-V52 HydrophobicContact CD1-CG2 4.28Å; F48-V52 HydrophobicContact CD2-CG2 4.21Å; F48-V52 HydrophobicContact CE1-CG2 3.69Å; F48-V52 HydrophobicContact CE2-CG2 3.6Å; F48-V52 HydrophobicContact CZ-CG2 3.32Å; F48-V52 WeakPolarHBondContact O-CG2 3.4Å; F48-V52 PolarHBondContact O-N 3.34Å; F48-R115 HydrophobicContact CE1-CG 4.43Å; F48-R115 HydrophobicContact CZ-CG 4.03Å; F48-L118 HydrophobicContact CE2-CD1 3.64Å; F48-L118 HydrophobicContact CZ-CD1 4.29Å; F48-F167 HydrophobicContact CD2-CE1 4.37Å; F48-F169 HydrophobicContact CD1-CE1 4.01Å; F48-F169 HydrophobicContact CD1-CZ 4.31Å; F48-F169 HydrophobicContact CD2-CE1 4.14Å; F48-F169 AromaticContact CD2-CZ 3.75Å; F48-F169 HydrophobicContact CD2-CZ 3.75Å; F48-F169 HydrophobicContact CE1-CD1 4.37Å; F48-F169 AromaticContact CE1-CE1 3.78Å; F48-F169 HydrophobicContact CE1-CE1 3.78Å; F48-F169 AromaticContact CE1-CZ 3.87Å; F48-F169 HydrophobicContact CE1-CZ 3.87Å; F48-F169 AromaticContact CE2-CE1 3.93Å; F48-F169 HydrophobicContact CE2-CE1 3.93Å; F48-F169 AromaticContact CE2-CE2 3.92Å; F48-F169 HydrophobicContact CE2-CE2 3.92Å; F48-F169 AromaticContact CE2-CZ 3.25Å; F48-F169 HydrophobicContact CE2-CZ 3.25Å; F48-F169 HydrophobicContact CG-CE1 4.18Å; F48-F169 HydrophobicContact CG-CZ 4.25Å; F48-F169 HydrophobicContact CZ-CD1 4.48Å; F48-F169 AromaticContact CZ-CE1 3.73Å; F48-F169 HydrophobicContact CZ-CE1 3.73Å; F48-F169 AromaticContact CZ-CE2 3.77Å; F48-F169 HydrophobicContact CZ-CE2 3.77Å; F48-F169 AromaticContact CZ-CZ 3.3Å; F48-F169 HydrophobicContact CZ-CZ 3.3Å
49V91.6Very high91.3Very high69 Ų6936.9 Ų36.942%0.41821%0.205SC..Hα-helixtrans-57.9-41.5177.6172.30000110.9S45 S53S45-V49 WeakPolarHBondContact O-CG2 3.2Å; S45-V49 PolarHBondContact O-N 2.94Å; V49-S53 WeakPolarHBondContact O-CB 3.22Å; V49-S53 PolarHBondContact O-N 3.07Å; V49-S53 VanDerWaalsContact O-N 3.08Å; V49-S53 PolarHBondContact O-OG 3.39Å
50N92.9Very high91.7Very high14 Ų1435 Ų358%0.07520%0.201CC..Hα-helixtrans-67.5-42176.5-161.727.6000111.5P46 F48 V52 S53 I54 D185 Y189P46-N50 VanDerWaalsContact O-CB 3.27Å; P46-N50 WeakPolarHBondContact O-CB 3.38Å; P46-N50 PolarHBondContact O-N 3.05Å; F48-N50 VanDerWaalsContact C-N 3.26Å; F48-N50 PolarHBondContact O-N 3.29Å; N50-V52 PolarHBondContact O-N 3.2Å; N50-S53 WeakPolarHBondContact O-CB 3.37Å; N50-S53 PolarHBondContact O-N 3.32Å; N50-I54 WeakPolarHBondContact O-CD1 3.44Å; N50-I54 VanDerWaalsContact O-CG1 3.25Å; N50-I54 WeakPolarHBondContact O-CG1 3.46Å; N50-I54 PolarHBondContact O-N 3.13Å; N50-D185 PolarHBondContact ND2-O 2.83Å; N50-D185 PolarHBondContact OD1-N 3.27Å; N50-Y189 WeakPolarHBondContact ND2-CE2 3.37Å; N50-Y189 PolarHBondContact ND2-OH 3.22Å
51F95.6Very high92Very high0 Ų030.4 Ų30.40%017%0.172CC..Hα-helixtrans-57.9-49174.8170.1-102.3000112.5S28 V29 L32 E47 F48 S53 I54 L55 L118 L123 L159 L162S28-F51 WeakPolarHBondContact OG-CA 3.32Å; S28-F51 WeakPolarHBondContact OG-CB 3.33Å; V29-F51 HydrophobicContact CG2-CD2 4.12Å; V29-F51 HydrophobicContact CG2-CE2 3.64Å; L32-F51 HydrophobicContact CD1-CB 3.62Å; L32-F51 HydrophobicContact CD1-CD1 3.91Å; L32-F51 HydrophobicContact CD1-CD2 3.96Å; L32-F51 HydrophobicContact CD1-CG 3.53Å; L32-F51 HydrophobicContact CG-CB 4.46Å; E47-F51 WeakPolarHBondContact O-CB 3.31Å; E47-F51 PolarHBondContact O-N 2.69Å; F48-F51 HydrophobicContact CE2-CD1 4.49Å; F48-F51 WeakPolarHBondContact O-CB 3.44Å; F48-F51 PolarHBondContact O-N 2.81Å; F48-F51 VanDerWaalsContact O-N 3.11Å; F51-S53 PolarHBondContact O-N 3.32Å; F51-I54 PolarHBondContact O-N 3.37Å; F51-L55 HydrophobicContact CE1-CD2 4.12Å; F51-L55 HydrophobicContact CZ-CB 4.43Å; F51-L55 HydrophobicContact CZ-CD2 4Å; F51-L55 WeakPolarHBondContact O-CB 3.36Å; F51-L55 PolarHBondContact O-N 2.92Å; F51-L118 HydrophobicContact CE1-CD1 4.1Å; F51-L123 HydrophobicContact CE1-CD2 4.29Å; F51-L123 HydrophobicContact CZ-CD2 4.02Å; F51-L159 HydrophobicContact CE2-CD2 3.92Å; F51-L159 HydrophobicContact CZ-CD2 3.71Å; F51-L162 HydrophobicContact CE1-CD1 3.94Å; F51-L162 HydrophobicContact CE2-CD1 3.79Å; F51-L162 HydrophobicContact CZ-CD1 3.31Å
52V94.4Very high92.1Very high7 Ų735.4 Ų35.44%0.04219%0.191CC..Hα-helixtrans-58.6-41.5177.2174.20000110.3F48 N50 L55 E56 I114F48-V52 HydrophobicContact CD1-CG2 4.28Å; F48-V52 HydrophobicContact CD2-CG2 4.21Å; F48-V52 HydrophobicContact CE1-CG2 3.69Å; F48-V52 HydrophobicContact CE2-CG2 3.6Å; F48-V52 HydrophobicContact CZ-CG2 3.32Å; F48-V52 WeakPolarHBondContact O-CG2 3.4Å; F48-V52 PolarHBondContact O-N 3.34Å; N50-V52 PolarHBondContact O-N 3.2Å; V52-L55 PolarHBondContact O-N 3.31Å; V52-E56 VanDerWaalsContact O-CB 3.29Å; V52-E56 WeakPolarHBondContact O-CB 3.42Å; V52-E56 PolarHBondContact O-N 3.01Å; V52-I114 HydrophobicContact CG1-CD1 4.15Å; V52-I114 HydrophobicContact CG2-CG2 4.17Å
53S93.4Very high92.3Very high13 Ų1333.4 Ų33.49%0.09118%0.18CC..Hα-helixtrans-62.8-42177.5-65.30000112.8V49 N50 F51 R57V49-S53 WeakPolarHBondContact O-CB 3.22Å; V49-S53 PolarHBondContact O-N 3.07Å; V49-S53 VanDerWaalsContact O-N 3.08Å; V49-S53 PolarHBondContact O-OG 3.39Å; N50-S53 WeakPolarHBondContact O-CB 3.37Å; N50-S53 PolarHBondContact O-N 3.32Å; F51-S53 PolarHBondContact O-N 3.32Å; S53-R57 WeakPolarHBondContact O-CB 3.35Å; S53-R57 PolarHBondContact O-N 3.36Å
54I94.8Very high92.5Very high0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-65.1-46.6175.9-66.6157.7000110.6V24 C25 N50 F51 R57 I58 I184 Y189V24-I54 HydrophobicContact CG1-CD1 3.58Å; V24-I54 HydrophobicContact CG1-CG1 3.96Å; V24-I54 HydrophobicContact CG1-CG2 4.45Å; C25-I54 HydrophobicContact CB-CG2 3.7Å; N50-I54 WeakPolarHBondContact O-CD1 3.44Å; N50-I54 VanDerWaalsContact O-CG1 3.25Å; N50-I54 WeakPolarHBondContact O-CG1 3.46Å; N50-I54 PolarHBondContact O-N 3.13Å; F51-I54 PolarHBondContact O-N 3.37Å; I54-R57 PolarHBondContact O-N 3.36Å; I54-I58 HydrophobicContact CG2-CD1 3.86Å; I54-I58 WeakPolarHBondContact O-CG1 3.26Å; I54-I58 PolarHBondContact O-N 3.28Å; I54-I184 HydrophobicContact CB-CD1 4.44Å; I54-I184 HydrophobicContact CD1-CG2 4.19Å; I54-I184 HydrophobicContact CG1-CB 4.39Å; I54-I184 HydrophobicContact CG1-CD1 4Å; I54-I184 HydrophobicContact CG1-CG1 3.94Å; I54-I184 HydrophobicContact CG1-CG2 3.6Å; I54-Y189 HydrophobicContact CD1-CE2 4.03Å
55L95.8Very high92.4Very high0 Ų031.6 Ų31.60%017%0.165CC..Hα-helixtrans-64.9-45.4-179.4-177.362.4000111.7F51 V52 R57 I58 L59 I114 L123 L159F51-L55 HydrophobicContact CE1-CD2 4.12Å; F51-L55 HydrophobicContact CZ-CB 4.43Å; F51-L55 HydrophobicContact CZ-CD2 4Å; F51-L55 WeakPolarHBondContact O-CB 3.36Å; F51-L55 PolarHBondContact O-N 2.92Å; V52-L55 PolarHBondContact O-N 3.31Å; L55-R57 VanDerWaalsContact C-N 3.29Å; L55-R57 PolarHBondContact O-N 3.17Å; L55-I58 PolarHBondContact O-N 2.9Å; L55-L59 HydrophobicContact CD1-CD1 4.1Å; L55-L59 HydrophobicContact CD1-CG 4.24Å; L55-L59 HydrophobicContact CG-CD1 3.96Å; L55-L59 HydrophobicContact CG-CG 4.48Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 WeakPolarHBondContact O-CG 3.38Å; L55-L59 PolarHBondContact O-N 3.15Å; L55-I114 HydrophobicContact CD2-CD1 4.05Å; L55-I114 HydrophobicContact CD2-CG1 4.12Å; L55-I114 HydrophobicContact CD2-CG2 4.11Å; L55-I114 HydrophobicContact CG-CD1 4.45Å; L55-L123 HydrophobicContact CD2-CD1 4.12Å; L55-L123 HydrophobicContact CD2-CD2 3.76Å; L55-L159 HydrophobicContact CD1-CD1 4.33Å
56E94.5Very high92Very high13 Ų1335.4 Ų35.46%0.06118%0.182CC..Hα-helixtrans-57.8-43.2174.5176.4172.5153.800110.8V52 L59 S60 F78 R111 A182V52-E56 VanDerWaalsContact O-CB 3.29Å; V52-E56 WeakPolarHBondContact O-CB 3.42Å; V52-E56 PolarHBondContact O-N 3.01Å; E56-L59 PolarHBondContact O-N 2.98Å; E56-S60 WeakPolarHBondContact O-CB 3.05Å; E56-S60 PolarHBondContact O-N 2.91Å; E56-S60 PolarHBondContact O-OG 3.27Å; E56-F78 HydrophobicContact CB-CE1 4.24Å; E56-F78 HydrophobicContact CG-CD1 3.94Å; E56-F78 HydrophobicContact CG-CE1 3.66Å; E56-R111 IonicContact OE1-NH2 2.89Å; E56-R111 PolarHBondContact OE1-NH2 3.03Å; E56-R111 IonicContact OE2-CZ 3Å; E56-R111 IonicContact OE2-NE 3.69Å; E56-R111 PolarHBondContact OE2-NE 3.22Å; E56-R111 IonicContact OE2-NH2 2.69Å; E56-R111 PolarHBondContact OE2-NH2 2.79Å; E56-A182 HydrophobicContact CG-CB 4.49Å
57R92.9Very high91.1Very high102 Ų10235.4 Ų35.439%0.38518%0.181SC..Hα-helixtrans-62.6-43.3177-178.961.466.3111.45.3112.2L21 S53 I54 L55 S60 H61 A182 I184L21-R57 HydrophobicContact CD1-CG 4.23Å; L21-R57 HydrophobicContact CD2-CG 4.03Å; S53-R57 WeakPolarHBondContact O-CB 3.35Å; S53-R57 PolarHBondContact O-N 3.36Å; I54-R57 PolarHBondContact O-N 3.36Å; L55-R57 VanDerWaalsContact C-N 3.29Å; L55-R57 PolarHBondContact O-N 3.17Å; R57-S60 CarbonylContact O-C 3.6Å; R57-S60 PolarHBondContact O-N 3.41Å; R57-H61 WeakPolarHBondContact O-CB 3.37Å; R57-H61 PolarHBondContact O-N 3.01Å; R57-A182 PolarHBondContact NH2-O 3.34Å; R57-I184 HydrophobicContact CB-CD1 3.77Å; R57-I184 HydrophobicContact CG-CD1 3.92Å
58I94.4Very high90.2Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-64.3-46.8178.5-71.7167.6000110.9L21 C25 I54 L55 S60 H61 I146 I147 L155L21-I58 HydrophobicContact CB-CG1 4.25Å; C25-I58 HydrophobicContact CB-CD1 3.62Å; I54-I58 HydrophobicContact CG2-CD1 3.86Å; I54-I58 WeakPolarHBondContact O-CG1 3.26Å; I54-I58 PolarHBondContact O-N 3.28Å; L55-I58 PolarHBondContact O-N 2.9Å; I58-S60 PolarHBondContact O-N 3.12Å; I58-H61 WeakPolarHBondContact O-CB 3.42Å; I58-H61 PolarHBondContact O-N 3.21Å; I58-I146 HydrophobicContact CG1-CD1 4.22Å; I58-I146 HydrophobicContact CG2-CB 4.46Å; I58-I146 HydrophobicContact CG2-CD1 4.44Å; I58-I146 HydrophobicContact CG2-CG2 3.96Å; I58-I147 HydrophobicContact CG2-CD1 4Å; I58-L155 HydrophobicContact CD1-CD1 4.16Å; I58-L155 HydrophobicContact CG2-CD1 4.36Å; I58-L155 HydrophobicContact CG2-CD2 3.6Å
59L94.7Very high89.2Confident3 Ų346.6 Ų46.62%0.01623%0.226CC..Hα-helixtrans-70.2-18.8179.1-65.7173.5000113.1L55 E56 F78 W113 F141 I147L55-L59 HydrophobicContact CD1-CD1 4.1Å; L55-L59 HydrophobicContact CD1-CG 4.24Å; L55-L59 HydrophobicContact CG-CD1 3.96Å; L55-L59 HydrophobicContact CG-CG 4.48Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 WeakPolarHBondContact O-CG 3.38Å; L55-L59 PolarHBondContact O-N 3.15Å; E56-L59 PolarHBondContact O-N 2.98Å; L59-F78 HydrophobicContact CB-CB 3.81Å; L59-F78 HydrophobicContact CB-CD2 4.01Å; L59-F78 HydrophobicContact CB-CG 4.02Å; L59-F78 HydrophobicContact CD1-CD2 3.79Å; L59-F78 HydrophobicContact CD1-CE2 4.03Å; L59-W113 HydrophobicContact CD1-CZ3 4.22Å; L59-F141 VanDerWaalsContact O-CE1 3.25Å; L59-F141 WeakPolarHBondContact O-CE1 2.98Å; L59-F141 WeakPolarHBondContact O-CZ 3.46Å; L59-I147 HydrophobicContact CD2-CD1 3.94Å
60S93.2Very high88.4Confident43 Ų4351.1 Ų51.130%0.30124%0.24SC..Hα-helixtrans-99.9-6176.4-52.70000113.4E56 R57 I58 R62 L63E56-S60 WeakPolarHBondContact O-CB 3.05Å; E56-S60 PolarHBondContact O-N 2.91Å; E56-S60 PolarHBondContact O-OG 3.27Å; R57-S60 CarbonylContact O-C 3.6Å; R57-S60 PolarHBondContact O-N 3.41Å; I58-S60 PolarHBondContact O-N 3.12Å; S60-R62 PolarHBondContact O-N 2.71Å; S60-R62 VanDerWaalsContact O-N 3.09Å; S60-L63 WeakPolarHBondContact O-CB 3.33Å; S60-L63 PolarHBondContact O-N 3.45Å; S60-L63 VanDerWaalsContact O-N 3.16Å
61H92.5Very high87.1Confident13 Ų1353 Ų536%0.0626%0.263CS..THydrogen-bonded Turntrans-65113.1-173.9174.3-77.4000110.9R57 I58 L63 F141 A145 I146R57-H61 WeakPolarHBondContact O-CB 3.37Å; R57-H61 PolarHBondContact O-N 3.01Å; I58-H61 WeakPolarHBondContact O-CB 3.42Å; I58-H61 PolarHBondContact O-N 3.21Å; H61-L63 VanDerWaalsContact C-N 3.28Å; H61-L63 PolarHBondContact O-N 3.47Å; H61-F141 WeakPolarHBondContact O-CD1 3.33Å; H61-A145 WeakPolarHBondContact O-CB 3.41Å; H61-I146 HydrophobicContact CB-CD1 4.02Å; H61-I146 HydrophobicContact CB-CG1 4.34Å; H61-I146 PolarHBondContact ND1-N 3.37Å
62R91Very high86.1Confident107 Ų10761.1 Ų61.140%0.40429%0.294SS..THydrogen-bonded Turntrans57.937.5-176.1-62.7178.9175.4-101-4.8113.5S60 E142 A145S60-R62 PolarHBondContact O-N 2.71Å; S60-R62 VanDerWaalsContact O-N 3.09Å; R62-E142 HydrophobicContact CB-CB 4.17Å; R62-E142 PolarHBondContact O-N 3.27Å; R62-A145 HydrophobicContact CB-CB 4.04Å
63L91.8Very high84.9Confident30 Ų3068 Ų6816%0.15733%0.326CS..BIsolated β-bridgetrans-70.3130.8170.5-169.573.9000109.8S60 H61 R76 S77 F140 F141S60-L63 WeakPolarHBondContact O-CB 3.33Å; S60-L63 PolarHBondContact O-N 3.45Å; S60-L63 VanDerWaalsContact O-N 3.16Å; H61-L63 VanDerWaalsContact C-N 3.28Å; H61-L63 PolarHBondContact O-N 3.47Å; L63-R76 HydrophobicContact CD2-CB 3.91Å; L63-R76 WeakPolarHBondContact CD2-O 3.47Å; L63-R76 HydrophobicContact CG-CB 4.4Å; L63-S77 VanDerWaalsContact CD2-C 3.43Å; L63-F140 HydrophobicContact CD1-CB 4.05Å; L63-F140 HydrophobicContact CD1-CD1 4.43Å; L63-F140 WeakPolarHBondContact CD1-O 3.36Å; L63-F141 HydrophobicContact CB-CD1 4.43Å; L63-F141 HydrophobicContact CB-CE1 4.21Å; L63-F141 HydrophobicContact CD1-CD1 4.06Å; L63-F141 HydrophobicContact CD1-CE1 3.64Å; L63-F141 HydrophobicContact CD1-CE2 4.14Å; L63-F141 HydrophobicContact CD1-CG 4.49Å; L63-F141 HydrophobicContact CD1-CZ 3.68Å
64K91.9Very high83.9Confident71 Ų7170 Ų7031%0.30934%0.34SS..PPolyproline II helixtrans-71.7141.2178.3-70.2167.4170.4156.80110.7R76 R138 R139 F140 F141 E142K64-R76 VanDerWaalsContact O-CD 3.24Å; K64-R76 WeakPolarHBondContact O-CD 3.28Å; K64-R76 WeakPolarHBondContact O-CG 3.35Å; K64-R76 PolarHBondContact O-NE 3.34Å; K64-R138 PolarHBondContact NZ-O 3.2Å; K64-R139 WeakPolarHBondContact CD-O 3.33Å; K64-F140 WeakPolarHBondContact CB-O 3.35Å; K64-F140 PolarHBondContact N-O 2.94Å; K64-F141 WeakPolarHBondContact CE-O 3.48Å; K64-F141 PolarHBondContact NZ-O 2.82Å; K64-E142 HydrophobicContact CG-CG 3.65Å
65G84Confident83Confident24 Ų2475.5 Ų75.525%0.24738%0.376CS..PPolyproline II helixtrans-59.6164.3166.200000112.6R76G65-R76 PolarHBondContact O-NE 3.35Å; G65-R76 PolarHBondContact O-NH2 3.43Å
66Q78.8Confident82.5Confident90 Ų9079.1 Ų79.142%0.42139%0.39SS..EExtended strand (participates in β ladder)trans-94.8109.3167.1-177.9167.7-67.300108.4T68 S74 R76Q66-T68 PolarHBondContact O-N 2.92Å; Q66-T68 VanDerWaalsContact O-N 3.14Å; Q66-S74 PolarHBondContact N-O 3.15Å; Q66-S74 PolarHBondContact O-N 3.46Å; Q66-R76 HydrophobicContact CB-CG 3.71Å
67T71.4Confident82.3Confident92 Ų9279.2 Ų79.256%0.56439%0.392SS*.EExtended strand (participates in β ladder)trans-67.9112.1169-40.70000108.2
68T71.2Confident82.4Confident44 Ų4474.4 Ų74.427%0.2737%0.373SS..  trans-72.1162.6172.361.20000110Q66 F70 G71 Y72Q66-T68 PolarHBondContact O-N 2.92Å; Q66-T68 VanDerWaalsContact O-N 3.14Å; T68-F70 PolarHBondContact O-N 2.78Å; T68-G71 PolarHBondContact O-N 3.35Å; T68-Y72 PolarHBondContact N-O 3.45Å; T68-Y72 PolarHBondContact OG1-N 3.48Å; T68-Y72 PolarHBondContact OG1-O 3.17Å
69W72.4Confident82.4Confident244 Ų24474.4 Ų74.492%0.92437%0.374SS*.THydrogen-bonded Turntrans-53.2-28.8177.9179.3-93.2000113.3G71W69-G71 VanDerWaalsContact C-N 3.28Å; W69-G71 PolarHBondContact O-N 3.14Å
70F74.1Confident82.4Confident164 Ų16476.3 Ų76.372%0.71938%0.384SS*.THydrogen-bonded Turntrans-85.66.9178.4-60.6-73.6000114T68 Y72T68-F70 PolarHBondContact O-N 2.78Å; F70-Y72 VanDerWaalsContact C-N 3.25Å; F70-Y72 HydrophobicContact CB-CD2 3.59Å; F70-Y72 HydrophobicContact CB-CE2 3.67Å; F70-Y72 PolarHBondContact O-N 3.32Å
71G66.9Low82.5Confident53 Ų5374.4 Ų74.455%0.54637%0.37SS..SBendtrans79-0.4179.400000114.8T68 W69T68-G71 PolarHBondContact O-N 3.35Å; W69-G71 VanDerWaalsContact C-N 3.28Å; W69-G71 PolarHBondContact O-N 3.14Å
72Y74.6Confident82.7Confident170 Ų17073.8 Ų73.867%0.66737%0.367SS*.  trans-75.5132.1172.6-57.2-73.5000110.4T68 F70 S74T68-Y72 PolarHBondContact N-O 3.45Å; T68-Y72 PolarHBondContact OG1-N 3.48Å; T68-Y72 PolarHBondContact OG1-O 3.17Å; F70-Y72 VanDerWaalsContact C-N 3.25Å; F70-Y72 HydrophobicContact CB-CD2 3.59Å; F70-Y72 HydrophobicContact CB-CE2 3.67Å; F70-Y72 PolarHBondContact O-N 3.32Å; Y72-S74 PolarHBondContact O-N 3.35Å
73E69.3Low82.9Confident152 Ų15271.4 Ų71.471%0.7136%0.36SS*.EExtended strand (participates in β ladder)trans-79.4110.4169.6-68.4-170.816400109.6
74S72.7Confident83.1Confident55 Ų5571.7 Ų71.739%0.38537%0.367SS..EExtended strand (participates in β ladder)trans-86.6137.2168.4-177.70000109.4Q66 Y72 R76Q66-S74 PolarHBondContact N-O 3.15Å; Q66-S74 PolarHBondContact O-N 3.46Å; Y72-S74 PolarHBondContact O-N 3.35Å; S74-R76 PolarHBondContact O-N 3.28Å
75P74.4Confident83.3Confident116 Ų11668.4 Ų68.475%0.75335%0.352SS*.PPolyproline II helixtrans-63.7121.2177.423.1-30.6000110.5
76R85.8Confident83.9Confident76 Ų7667.2 Ų67.229%0.28734%0.341SS..PPolyproline II helixtrans-79.5148.1166.9-72.7-173-149.2-112.63110L63 K64 G65 Q66 S74L63-R76 HydrophobicContact CD2-CB 3.91Å; L63-R76 WeakPolarHBondContact CD2-O 3.47Å; L63-R76 HydrophobicContact CG-CB 4.4Å; K64-R76 VanDerWaalsContact O-CD 3.24Å; K64-R76 WeakPolarHBondContact O-CD 3.28Å; K64-R76 WeakPolarHBondContact O-CG 3.35Å; K64-R76 PolarHBondContact O-NE 3.34Å; G65-R76 PolarHBondContact O-NE 3.35Å; G65-R76 PolarHBondContact O-NH2 3.43Å; Q66-R76 HydrophobicContact CB-CG 3.71Å; S74-R76 PolarHBondContact O-N 3.28Å
77S90.5Very high84.6Confident14 Ų1466.1 Ų66.110%0.09834%0.343CS..PPolyproline II helixtrans-95.6154.5167.11790000110.2L63 W79 D80 S106L63-S77 VanDerWaalsContact CD2-C 3.43Å; S77-W79 PolarHBondContact O-N 2.9Å; S77-W79 VanDerWaalsContact O-N 3.12Å; S77-W79 PolarHBondContact OG-N 3.24Å; S77-D80 PolarHBondContact N-OD2 3.04Å; S77-D80 WeakPolarHBondContact O-CB 3.36Å; S77-D80 PolarHBondContact O-N 2.71Å; S77-S106 VanDerWaalsContact CB-OG 3.3Å; S77-S106 WeakPolarHBondContact CB-OG 3.39Å
78F93.9Very high85.8Confident1 Ų169.3 Ų69.30%0.00435%0.349CS..Hα-helixtrans-56.9-25.6169.178.6-89.6000112.1E56 L59 D80 Y81 I82 G110 W113 I114E56-F78 HydrophobicContact CB-CE1 4.24Å; E56-F78 HydrophobicContact CG-CD1 3.94Å; E56-F78 HydrophobicContact CG-CE1 3.66Å; L59-F78 HydrophobicContact CB-CB 3.81Å; L59-F78 HydrophobicContact CB-CD2 4.01Å; L59-F78 HydrophobicContact CB-CG 4.02Å; L59-F78 HydrophobicContact CD1-CD2 3.79Å; L59-F78 HydrophobicContact CD1-CE2 4.03Å; F78-D80 VanDerWaalsContact C-N 3.29Å; F78-D80 PolarHBondContact O-N 3.1Å; F78-Y81 WeakPolarHBondContact O-CB 3.47Å; F78-Y81 PolarHBondContact O-N 3.02Å; F78-I82 HydrophobicContact CD2-CG1 4.06Å; F78-I82 WeakPolarHBondContact O-CG1 3.35Å; F78-I82 PolarHBondContact O-N 3.02Å; F78-G110 VanDerWaalsContact CZ-C 3.42Å; F78-G110 VanDerWaalsContact CZ-CA 3.48Å; F78-W113 HydrophobicContact CE2-CE3 4.15Å; F78-W113 HydrophobicContact CE2-CZ3 4.27Å; F78-I114 HydrophobicContact CE2-CD1 4.19Å; F78-I114 HydrophobicContact CE2-CG1 4.48Å; F78-I114 HydrophobicContact CZ-CD1 3.86Å; F78-I114 HydrophobicContact CZ-CG1 4.48Å
79W95.2Very high87Confident1 Ų167.3 Ų67.30%0.00434%0.337CS..Hα-helixtrans-58.6-39.3174.1178.5-122.9000112.7S77 Y81 I82 K83 I94 I97 E98 S106 K109 W113S77-W79 PolarHBondContact O-N 2.9Å; S77-W79 VanDerWaalsContact O-N 3.12Å; S77-W79 PolarHBondContact OG-N 3.24Å; W79-Y81 VanDerWaalsContact C-N 3.26Å; W79-Y81 PolarHBondContact O-N 2.77Å; W79-I82 HydrophobicContact CE3-CB 4.07Å; W79-I82 HydrophobicContact CE3-CG2 4.02Å; W79-I82 HydrophobicContact CZ3-CB 4.32Å; W79-I82 HydrophobicContact CZ3-CG2 3.77Å; W79-I82 PolarHBondContact O-N 3.47Å; W79-K83 HydrophobicContact CD2-CD 4.42Å; W79-K83 HydrophobicContact CD2-CG 3.95Å; W79-K83 HydrophobicContact CE3-CG 4.37Å; W79-K83 HydrophobicContact CG-CG 4.47Å; W79-K83 HydrophobicContact CH2-CG 4.08Å; W79-K83 HydrophobicContact CZ2-CD 3.86Å; W79-K83 HydrophobicContact CZ2-CG 3.63Å; W79-K83 HydrophobicContact CZ3-CG 4.39Å; W79-K83 WeakPolarHBondContact O-CG 3.44Å; W79-K83 PolarHBondContact O-N 3.39Å; W79-I94 HydrophobicContact CH2-CB 4.43Å; W79-I94 HydrophobicContact CH2-CG1 4.24Å; W79-I94 HydrophobicContact CH2-CG2 4.22Å; W79-I94 HydrophobicContact CZ2-CG2 4.27Å; W79-I97 HydrophobicContact CH2-CB 3.93Å; W79-I97 HydrophobicContact CH2-CG1 4.35Å; W79-I97 HydrophobicContact CH2-CG2 3.77Å; W79-I97 HydrophobicContact CZ2-CB 3.92Å; W79-I97 HydrophobicContact CZ2-CG2 3.51Å; W79-E98 HydrophobicContact CZ2-CG 4.25Å; W79-S106 WeakPolarHBondContact CB-O 3.5Å; W79-K109 HydrophobicContact CD2-CB 4.18Å; W79-K109 HydrophobicContact CG-CB 4.05Å; W79-K109 HydrophobicContact CZ2-CB 4.5Å; W79-W113 HydrophobicContact CE3-CB 3.85Å; W79-W113 HydrophobicContact CE3-CD2 4.48Å; W79-W113 HydrophobicContact CE3-CG 4.04Å; W79-W113 HydrophobicContact CH2-CB 3.99Å; W79-W113 HydrophobicContact CH2-CG 4.14Å; W79-W113 HydrophobicContact CZ3-CB 3.34Å; W79-W113 AromaticContact CZ3-CD1 3.57Å; W79-W113 HydrophobicContact CZ3-CD2 4.03Å; W79-W113 AromaticContact CZ3-CG 3.33Å; W79-W113 HydrophobicContact CZ3-CG 3.33Å
80D94.5Very high88Confident42 Ų4259.5 Ų59.523%0.22532%0.317CS..Hα-helixtrans-62.5-37.4178.2-60.7-53.1000111.6S77 F78 A84 F140S77-D80 PolarHBondContact N-OD2 3.04Å; S77-D80 WeakPolarHBondContact O-CB 3.36Å; S77-D80 PolarHBondContact O-N 2.71Å; F78-D80 VanDerWaalsContact C-N 3.29Å; F78-D80 PolarHBondContact O-N 3.1Å; D80-A84 PolarHBondContact O-N 3.27Å; D80-F140 HydrophobicContact CB-CE1 4.15Å
81Y95.5Very high89Confident3 Ų360 Ų601%0.01232%0.322CS..Hα-helixtrans-65.7-48.8173162.7-115.5000111.5F78 W79 K83 A84 A85 A130 T137 F140 F141 I147F78-Y81 WeakPolarHBondContact O-CB 3.47Å; F78-Y81 PolarHBondContact O-N 3.02Å; W79-Y81 VanDerWaalsContact C-N 3.26Å; W79-Y81 PolarHBondContact O-N 2.77Å; Y81-K83 VanDerWaalsContact C-N 3.32Å; Y81-K83 PolarHBondContact O-N 3.18Å; Y81-A84 PolarHBondContact O-N 3.12Å; Y81-A84 VanDerWaalsContact O-N 3.16Å; Y81-A85 HydrophobicContact CD2-CB 4.09Å; Y81-A85 HydrophobicContact CE2-CB 3.64Å; Y81-A85 WeakPolarHBondContact O-CB 3.21Å; Y81-A85 PolarHBondContact O-N 3.27Å; Y81-A130 HydrophobicContact CE1-CB 4.38Å; Y81-A130 WeakPolarHBondContact OH-CB 2.97Å; Y81-T137 HydrophobicContact CE2-CG2 4.1Å; Y81-T137 PolarHBondContact OH-OG1 2.86Å; Y81-F140 HydrophobicContact CD2-CB 3.96Å; Y81-F140 HydrophobicContact CD2-CD2 4.07Å; Y81-F140 AromaticContact CD2-CG 3.95Å; Y81-F140 HydrophobicContact CD2-CG 3.95Å; Y81-F140 HydrophobicContact CG-CB 4.4Å; Y81-F140 HydrophobicContact CG-CG 4.41Å; Y81-F141 AromaticContact CD1-CE2 3.73Å; Y81-F141 HydrophobicContact CD1-CE2 3.73Å; Y81-F141 AromaticContact CD1-CZ 3.89Å; Y81-F141 HydrophobicContact CD1-CZ 3.89Å; Y81-F141 AromaticContact CD2-CE2 3.85Å; Y81-F141 HydrophobicContact CD2-CE2 3.85Å; Y81-F141 AromaticContact CE1-CE2 3.75Å; Y81-F141 HydrophobicContact CE1-CE2 3.75Å; Y81-F141 HydrophobicContact CE1-CZ 4.09Å; Y81-F141 AromaticContact CE2-CE2 3.88Å; Y81-F141 HydrophobicContact CE2-CE2 3.88Å; Y81-F141 AromaticContact CG-CE2 3.76Å; Y81-F141 HydrophobicContact CG-CE2 3.76Å; Y81-F141 HydrophobicContact CG-CZ 4.2Å; Y81-F141 AromaticContact CZ-CE2 3.82Å; Y81-I147 HydrophobicContact CE1-CG2 4.39Å
82I97Very high90.4Very high1 Ų159.8 Ų59.81%0.00531%0.308CS..Hα-helixtrans-58.7-43.9179-65.9-59.3000111.1F78 W79 A84 A85 C86 W113F78-I82 HydrophobicContact CD2-CG1 4.06Å; F78-I82 WeakPolarHBondContact O-CG1 3.35Å; F78-I82 PolarHBondContact O-N 3.02Å; W79-I82 HydrophobicContact CE3-CB 4.07Å; W79-I82 HydrophobicContact CE3-CG2 4.02Å; W79-I82 HydrophobicContact CZ3-CB 4.32Å; W79-I82 HydrophobicContact CZ3-CG2 3.77Å; W79-I82 PolarHBondContact O-N 3.47Å; I82-A84 VanDerWaalsContact C-N 3.33Å; I82-A84 PolarHBondContact O-N 2.93Å; I82-A85 PolarHBondContact O-N 2.96Å; I82-C86 HydrophobicContact CG2-CB 4.35Å; I82-C86 WeakPolarHBondContact O-CA 3.25Å; I82-C86 WeakPolarHBondContact O-CB 3.46Å; I82-C86 PolarHBondContact O-N 3.45Å; I82-W113 HydrophobicContact CD1-CH2 3.7Å; I82-W113 HydrophobicContact CD1-CZ2 4.21Å; I82-W113 HydrophobicContact CD1-CZ3 4.02Å; I82-W113 HydrophobicContact CG1-CE3 4.29Å; I82-W113 HydrophobicContact CG1-CH2 4.07Å; I82-W113 HydrophobicContact CG1-CZ2 4.47Å; I82-W113 HydrophobicContact CG1-CZ3 3.96Å; I82-W113 HydrophobicContact CG2-CD2 3.88Å; I82-W113 HydrophobicContact CG2-CE3 4.28Å; I82-W113 HydrophobicContact CG2-CG 4.43Å; I82-W113 HydrophobicContact CG2-CH2 4.17Å; I82-W113 HydrophobicContact CG2-CZ2 3.72Å; I82-W113 HydrophobicContact CG2-CZ3 4.42Å
83K95.7Very high91.4Very high56 Ų5652 Ų5224%0.24328%0.278CS..Hα-helixtrans-57.6-45.9176.1-73.2-163.2-70.4168.10112.5W79 Y81 S87 I94 E98W79-K83 HydrophobicContact CD2-CD 4.42Å; W79-K83 HydrophobicContact CD2-CG 3.95Å; W79-K83 HydrophobicContact CE3-CG 4.37Å; W79-K83 HydrophobicContact CG-CG 4.47Å; W79-K83 HydrophobicContact CH2-CG 4.08Å; W79-K83 HydrophobicContact CZ2-CD 3.86Å; W79-K83 HydrophobicContact CZ2-CG 3.63Å; W79-K83 HydrophobicContact CZ3-CG 4.39Å; W79-K83 WeakPolarHBondContact O-CG 3.44Å; W79-K83 PolarHBondContact O-N 3.39Å; Y81-K83 VanDerWaalsContact C-N 3.32Å; Y81-K83 PolarHBondContact O-N 3.18Å; K83-S87 WeakPolarHBondContact O-CB 3.48Å; K83-S87 PolarHBondContact O-N 2.98Å; K83-I94 HydrophobicContact CB-CG2 4.48Å; K83-I94 HydrophobicContact CD-CG2 4.24Å; K83-I94 HydrophobicContact CG-CG2 3.87Å; K83-E98 HydrophobicContact CD-CG 4.04Å; K83-E98 WeakPolarHBondContact CD-OE1 3.44Å; K83-E98 WeakPolarHBondContact CE-OE1 3.38Å; K83-E98 IonicContact NZ-OE1 2.77Å; K83-E98 PolarHBondContact NZ-OE1 2.99Å
84A95Very high92.7Very high37 Ų3745.3 Ų45.331%0.30625%0.247SC..Hα-helixtrans-67.6-51.5-179.500000111.6D80 Y81 I82 S87 T136 F140D80-A84 PolarHBondContact O-N 3.27Å; Y81-A84 PolarHBondContact O-N 3.12Å; Y81-A84 VanDerWaalsContact O-N 3.16Å; I82-A84 VanDerWaalsContact C-N 3.33Å; I82-A84 PolarHBondContact O-N 2.93Å; A84-S87 PolarHBondContact O-OG 3.45Å; A84-S87 VanDerWaalsContact O-OG 3.1Å; A84-T136 HydrophobicContact CB-CG2 3.91Å; A84-F140 HydrophobicContact CB-CE2 3.65Å; A84-F140 HydrophobicContact CB-CZ 3.67Å
85A96.1Very high93.7Very high1 Ų152.8 Ų52.81%0.00827%0.267CS..Hα-helixtrans-75.1-32.4-172.400000113.3Y81 I82 F129 A130 T136Y81-A85 HydrophobicContact CD2-CB 4.09Å; Y81-A85 HydrophobicContact CE2-CB 3.64Å; Y81-A85 WeakPolarHBondContact O-CB 3.21Å; Y81-A85 PolarHBondContact O-N 3.27Å; I82-A85 PolarHBondContact O-N 2.96Å; A85-F129 WeakPolarHBondContact O-CD1 3.49Å; A85-F129 WeakPolarHBondContact O-CE1 3.35Å; A85-A130 HydrophobicContact CB-CB 3.83Å; A85-T136 HydrophobicContact CB-CG2 4.21Å
86C96.6Very high94.6Very high0 Ų050.9 Ų50.90%026%0.256CS..Hα-helixtrans-102.65.1-174.8-57.20000114.1I82 K88 V89 I94 Y126I82-C86 HydrophobicContact CG2-CB 4.35Å; I82-C86 WeakPolarHBondContact O-CA 3.25Å; I82-C86 WeakPolarHBondContact O-CB 3.46Å; I82-C86 PolarHBondContact O-N 3.45Å; C86-K88 PolarHBondContact O-N 3.36Å; C86-V89 HydrophobicContact CB-CG2 3.91Å; C86-V89 WeakPolarHBondContact O-CB 3.25Å; C86-V89 WeakPolarHBondContact O-CG2 3.03Å; C86-V89 PolarHBondContact O-N 3.04Å; C86-I94 HydrophobicContact CB-CD1 4.11Å; C86-Y126 HydrophobicContact CB-CD1 3.73Å; C86-Y126 HydrophobicContact CB-CE1 4.28Å
87S94.5Very high95Very high67 Ų6747.4 Ų47.447%0.46924%0.243SC..THydrogen-bonded Turntrans-54.8-25.7178.9550000114.4K83 A84 N92K83-S87 WeakPolarHBondContact O-CB 3.48Å; K83-S87 PolarHBondContact O-N 2.98Å; A84-S87 PolarHBondContact O-OG 3.45Å; A84-S87 VanDerWaalsContact O-OG 3.1Å; S87-N92 PolarHBondContact O-ND2 3.48Å
88K95.1Very high95.1Very high159 Ų15950.6 Ų50.669%0.69126%0.257SS*.THydrogen-bonded Turntrans-98.30.7-178.3-64.5177-175.9173.20114.1C86 F129C86-K88 PolarHBondContact O-N 3.36Å; K88-F129 HydrophobicContact CB-CE1 3.92Å; K88-F129 HydrophobicContact CB-CZ 3.6Å
89V96.1Very high94.9Very high2 Ų254.6 Ų54.61%0.01229%0.285CS..SBendtrans-64.2127.8173174.60000108.2C86 N92 Y126 F129C86-V89 HydrophobicContact CB-CG2 3.91Å; C86-V89 WeakPolarHBondContact O-CB 3.25Å; C86-V89 WeakPolarHBondContact O-CG2 3.03Å; C86-V89 PolarHBondContact O-N 3.04Å; V89-N92 HydrophobicContact CB-CB 4.17Å; V89-N92 HydrophobicContact CG1-CB 4.45Å; V89-N92 WeakPolarHBondContact O-CB 3.48Å; V89-N92 PolarHBondContact O-N 3.39Å; V89-N92 PolarHBondContact O-ND2 3.08Å; V89-Y126 HydrophobicContact CB-CE1 4.32Å; V89-Y126 HydrophobicContact CG1-CD1 4.42Å; V89-Y126 HydrophobicContact CG1-CD2 4.33Å; V89-Y126 HydrophobicContact CG1-CE1 4.16Å; V89-Y126 HydrophobicContact CG1-CE2 4.1Å; V89-Y126 HydrophobicContact CG2-CD1 4.23Å; V89-F129 HydrophobicContact CG2-CB 3.79Å; V89-F129 HydrophobicContact CG2-CD1 3.56Å; V89-F129 HydrophobicContact CG2-CD2 3.98Å; V89-F129 HydrophobicContact CG2-CE1 4.13Å; V89-F129 HydrophobicContact CG2-CE2 4.49Å; V89-F129 HydrophobicContact CG2-CG 3.49Å; V89-F129 VanDerWaalsContact CG2-CG 3.49Å
90P94.8Very high94.7Very high79 Ų7956.7 Ų56.751%0.51330%0.295SS..THydrogen-bonded Turntrans-58.7140.3178.3-23.934000111.6N92 R122P90-N92 VanDerWaalsContact C-N 3.27Å; P90-N92 PolarHBondContact O-N 3.36Å; P90-R122 PolarHBondContact O-NH1 3.07Å; P90-R122 PolarHBondContact O-NH2 2.86Å
91H94.6Very high94.2Very high176 Ų17662.6 Ų62.682%0.81532%0.321SS*.THydrogen-bonded Turntrans49.546.3179.7-55.8-73.1000113.1R122H91-R122 PolarHBondContact O-NH1 3.14Å
92N96Very high93.5Very high47 Ų4768.3 Ų68.325%0.25135%0.352SS..  trans-77.7152.4-178.967.474.8000113.1S87 V89 P90 I94 Y126S87-N92 PolarHBondContact O-ND2 3.48Å; V89-N92 HydrophobicContact CB-CB 4.17Å; V89-N92 HydrophobicContact CG1-CB 4.45Å; V89-N92 WeakPolarHBondContact O-CB 3.48Å; V89-N92 PolarHBondContact O-N 3.39Å; V89-N92 PolarHBondContact O-ND2 3.08Å; P90-N92 VanDerWaalsContact C-N 3.27Å; P90-N92 PolarHBondContact O-N 3.36Å; N92-I94 VanDerWaalsContact C-N 3.35Å; N92-I94 HydrophobicContact CB-CD1 4.41Å; N92-I94 HydrophobicContact CB-CG1 4.42Å; N92-I94 WeakPolarHBondContact OD1-CB 3.43Å; N92-I94 PolarHBondContact OD1-N 3.37Å; N92-Y126 WeakPolarHBondContact CA-OH 3.21Å; N92-Y126 HydrophobicContact CB-CE1 3.99Å; N92-Y126 WeakPolarHBondContact CB-OH 3.38Å
93C95.7Very high92.8Very high8 Ų868.4 Ų68.45%0.05435%0.353CS..SBendtrans-89.16.9-179.963.40000113.9R95 S96 I97 V116 Y126C93-R95 PolarHBondContact O-N 3.45Å; C93-S96 WeakPolarHBondContact O-CB 3.15Å; C93-S96 PolarHBondContact O-N 3.45Å; C93-S96 VanDerWaalsContact O-N 3.13Å; C93-I97 WeakPolarHBondContact O-CG1 3.36Å; C93-I97 PolarHBondContact O-N 2.87Å; C93-V116 HydrophobicContact CB-CG1 3.8Å; C93-Y126 PolarHBondContact N-OH 3.42Å; C93-Y126 VanDerWaalsContact N-OH 3.1Å
94I96.3Very high92.2Very high11 Ų1176 Ų766%0.05638%0.38CS..Hα-helixtrans-59.2-48.7-170.5-66.1166000112W79 K83 C86 N92 S96 I97 E98W79-I94 HydrophobicContact CH2-CB 4.43Å; W79-I94 HydrophobicContact CH2-CG1 4.24Å; W79-I94 HydrophobicContact CH2-CG2 4.22Å; W79-I94 HydrophobicContact CZ2-CG2 4.27Å; K83-I94 HydrophobicContact CB-CG2 4.48Å; K83-I94 HydrophobicContact CD-CG2 4.24Å; K83-I94 HydrophobicContact CG-CG2 3.87Å; C86-I94 HydrophobicContact CB-CD1 4.11Å; N92-I94 VanDerWaalsContact C-N 3.35Å; N92-I94 HydrophobicContact CB-CD1 4.41Å; N92-I94 HydrophobicContact CB-CG1 4.42Å; N92-I94 WeakPolarHBondContact OD1-CB 3.43Å; N92-I94 PolarHBondContact OD1-N 3.37Å; I94-S96 VanDerWaalsContact C-N 3.29Å; I94-S96 PolarHBondContact O-N 3.22Å; I94-I97 PolarHBondContact O-N 3.19Å; I94-E98 HydrophobicContact CG2-CG 4.46Å; I94-E98 WeakPolarHBondContact O-CG 3.4Å; I94-E98 PolarHBondContact O-N 3.03Å
95R94.4Very high91.9Very high212 Ų21275.7 Ų75.780%0.838%0.376SS*.Hα-helixtrans-62.3-38.1179.4-69.1-175.6178.9174.8-0.1112.2C93 E98 S99C93-R95 PolarHBondContact O-N 3.45Å; R95-E98 PolarHBondContact O-N 2.89Å; R95-S99 PolarHBondContact O-N 2.83Å; R95-S99 PolarHBondContact O-OG 3.06Å
96S93.3Very high91.6Very high76 Ų7677.6 Ų77.653%0.53139%0.389SS..Hα-helixtrans-61.4-50.8176.9-176.30000110.5C93 I94 E98 S99 M100C93-S96 WeakPolarHBondContact O-CB 3.15Å; C93-S96 PolarHBondContact O-N 3.45Å; C93-S96 VanDerWaalsContact O-N 3.13Å; I94-S96 VanDerWaalsContact C-N 3.29Å; I94-S96 PolarHBondContact O-N 3.22Å; S96-E98 VanDerWaalsContact C-N 3.31Å; S96-E98 PolarHBondContact O-N 3.46Å; S96-S99 PolarHBondContact O-N 3.08Å; S96-S99 VanDerWaalsContact O-N 3.15Å; S96-S99 PolarHBondContact O-OG 3.09Å; S96-M100 WeakPolarHBondContact O-CG 3.49Å; S96-M100 PolarHBondContact O-N 3.41Å
97I93.8Very high91.2Very high2 Ų282.2 Ų82.21%0.0141%0.406CS..Hα-helixtrans-59.8-40175.7-61.6-61.8000111.8W79 C93 I94 S99 M100 K109 A112 W113 V116W79-I97 HydrophobicContact CH2-CB 3.93Å; W79-I97 HydrophobicContact CH2-CG1 4.35Å; W79-I97 HydrophobicContact CH2-CG2 3.77Å; W79-I97 HydrophobicContact CZ2-CB 3.92Å; W79-I97 HydrophobicContact CZ2-CG2 3.51Å; C93-I97 WeakPolarHBondContact O-CG1 3.36Å; C93-I97 PolarHBondContact O-N 2.87Å; I94-I97 PolarHBondContact O-N 3.19Å; I97-S99 VanDerWaalsContact C-N 3.28Å; I97-S99 PolarHBondContact O-N 3.39Å; I97-M100 HydrophobicContact CD1-SD 3.88Å; I97-M100 PolarHBondContact O-N 3.39Å; I97-K109 HydrophobicContact CG2-CB 3.83Å; I97-K109 HydrophobicContact CG2-CG 4.21Å; I97-K109 WeakPolarHBondContact CG2-O 3.45Å; I97-A112 HydrophobicContact CD1-CB 4.02Å; I97-A112 HydrophobicContact CG2-CB 4.49Å; I97-W113 HydrophobicContact CG1-CB 4.34Å; I97-V116 HydrophobicContact CD1-CB 4.27Å; I97-V116 HydrophobicContact CD1-CG2 3.73Å
98E92.7Very high91Very high81 Ų8179 Ų7938%0.37938%0.384SS..Hα-helixtrans-65-32.8178.8-76-163.6127.700113.2W79 K83 I94 R95 S96 M100 K109W79-E98 HydrophobicContact CZ2-CG 4.25Å; K83-E98 HydrophobicContact CD-CG 4.04Å; K83-E98 WeakPolarHBondContact CD-OE1 3.44Å; K83-E98 WeakPolarHBondContact CE-OE1 3.38Å; K83-E98 IonicContact NZ-OE1 2.77Å; K83-E98 PolarHBondContact NZ-OE1 2.99Å; I94-E98 HydrophobicContact CG2-CG 4.46Å; I94-E98 WeakPolarHBondContact O-CG 3.4Å; I94-E98 PolarHBondContact O-N 3.03Å; R95-E98 PolarHBondContact O-N 2.89Å; S96-E98 VanDerWaalsContact C-N 3.31Å; S96-E98 PolarHBondContact O-N 3.46Å; E98-M100 VanDerWaalsContact C-N 3.34Å; E98-K109 PolarHBondContact O-NZ 3.27Å
99S91.1Very high90.8Very high86 Ų8673.3 Ų73.360%0.60136%0.359SS*.THydrogen-bonded Turntrans-80.6-5.3179.567.60000115.2R95 S96 I97 E101R95-S99 PolarHBondContact O-N 2.83Å; R95-S99 PolarHBondContact O-OG 3.06Å; S96-S99 PolarHBondContact O-N 3.08Å; S96-S99 VanDerWaalsContact O-N 3.15Å; S96-S99 PolarHBondContact O-OG 3.09Å; I97-S99 VanDerWaalsContact C-N 3.28Å; I97-S99 PolarHBondContact O-N 3.39Å; S99-E101 PolarHBondContact O-N 3.35Å
100M89.3Confident90.7Very high45 Ų4573.2 Ų73.222%0.22236%0.359CS..  trans-68113.9-179.6-64.9-176.681.700111.7S96 I97 E98 N102 V103 A112 L171S96-M100 WeakPolarHBondContact O-CG 3.49Å; S96-M100 PolarHBondContact O-N 3.41Å; I97-M100 HydrophobicContact CD1-SD 3.88Å; I97-M100 PolarHBondContact O-N 3.39Å; E98-M100 VanDerWaalsContact C-N 3.34Å; M100-N102 VanDerWaalsContact C-N 3.35Å; M100-N102 PolarHBondContact O-N 3.15Å; M100-V103 HydrophobicContact CB-CB 4.06Å; M100-V103 HydrophobicContact CB-CG2 4.18Å; M100-V103 HydrophobicContact CE-CG2 3.97Å; M100-V103 PolarHBondContact O-N 3.36Å; M100-V103 HydrophobicContact SD-CG2 4.21Å; M100-A112 HydrophobicContact SD-CB 4.28Å; M100-L171 HydrophobicContact CE-CB 4.06Å; M100-L171 HydrophobicContact CE-CD1 4.11Å
101E83.9Confident90.7Very high165 Ų16570.4 Ų70.477%0.77134%0.338SS*.THydrogen-bonded Turntrans-69.8-31.3-179.2-62.9-175.5174.700113.3S99 V103S99-E101 PolarHBondContact O-N 3.35Å; E101-V103 VanDerWaalsContact C-N 3.27Å; E101-V103 PolarHBondContact O-N 2.74Å
102N82Confident90.6Very high123 Ų12362 Ų6266%0.65830%0.299SS*.THydrogen-bonded Turntrans-79.7-5.8-178.8-63.6-24.2000113.4M100M100-N102 VanDerWaalsContact C-N 3.35Å; M100-N102 PolarHBondContact O-N 3.15Å
103V82.4Confident90.6Very high3 Ų359.8 Ų59.82%0.01829%0.287CS..  trans-126.688.2-174.1-174.50000108.8M100 E101 A108 K109 A112 L176M100-V103 HydrophobicContact CB-CB 4.06Å; M100-V103 HydrophobicContact CB-CG2 4.18Å; M100-V103 HydrophobicContact CE-CG2 3.97Å; M100-V103 PolarHBondContact O-N 3.36Å; M100-V103 HydrophobicContact SD-CG2 4.21Å; E101-V103 VanDerWaalsContact C-N 3.27Å; E101-V103 PolarHBondContact O-N 2.74Å; V103-A108 HydrophobicContact CG1-CB 3.49Å; V103-A108 VanDerWaalsContact CG1-CB 3.49Å; V103-A108 WeakPolarHBondContact CG1-O 3.5Å; V103-K109 HydrophobicContact CG1-CB 4.37Å; V103-K109 HydrophobicContact CG1-CG 3.77Å; V103-K109 VanDerWaalsContact CG1-N 3.32Å; V103-K109 WeakPolarHBondContact O-CE 3.46Å; V103-A112 HydrophobicContact CG1-CB 4.37Å; V103-L176 HydrophobicContact CG1-CD1 4.48Å; V103-L176 HydrophobicContact CG2-CD1 3.73Å
104R82.9Confident90.6Very high216 Ų21659.4 Ų59.482%0.81529%0.285SS*.  trans-89-42.3-168.6-64.8-177.4177.9-177.6-1.2113.4
105S87.9Confident90.5Very high31 Ų3159.6 Ų59.622%0.21729%0.285CS..SBendtrans-76148.4-175.680.20000112.3R107 A108 K109 D177S105-R107 PolarHBondContact O-N 2.97Å; S105-A108 PolarHBondContact O-N 3.25Å; S105-A108 WeakPolarHBondContact OG-CB 3.47Å; S105-A108 PolarHBondContact OG-N 3.17Å; S105-A108 VanDerWaalsContact OG-N 3.07Å; S105-K109 WeakPolarHBondContact O-CG 3.39Å; S105-K109 PolarHBondContact O-N 3.47Å; S105-D177 WeakPolarHBondContact CB-OD1 3.39Å; S105-D177 PolarHBondContact OG-OD1 3.07Å
106S89.4Confident90.6Very high40 Ų4050.6 Ų50.628%0.2825%0.253SS..Hα-helixtrans-60.3-32177.7-170.60000112.3S77 W79 G110S77-S106 VanDerWaalsContact CB-OG 3.3Å; S77-S106 WeakPolarHBondContact CB-OG 3.39Å; W79-S106 WeakPolarHBondContact CB-O 3.5Å; S106-G110 PolarHBondContact O-N 3.28Å
107R88.4Confident90.7Very high97 Ų9747 Ų4737%0.36623%0.228SC..Hα-helixtrans-69.8-45.9176.3-171.5-179.6-57.796.12.4111.4S105 K109 G110 R111S105-R107 PolarHBondContact O-N 2.97Å; R107-K109 VanDerWaalsContact C-N 3.26Å; R107-K109 PolarHBondContact O-N 3.32Å; R107-G110 WeakPolarHBondContact O-CA 3.43Å; R107-G110 PolarHBondContact O-N 2.96Å; R107-G110 VanDerWaalsContact O-N 3.08Å; R107-R111 PolarHBondContact O-N 3.41Å
108A90Very high90.8Very high1 Ų147 Ų471%0.00823%0.228CC..Hα-helixtrans-60.2-3917600000111.3V103 S105 R111 A112 L176 D177V103-A108 HydrophobicContact CG1-CB 3.49Å; V103-A108 VanDerWaalsContact CG1-CB 3.49Å; V103-A108 WeakPolarHBondContact CG1-O 3.5Å; S105-A108 PolarHBondContact O-N 3.25Å; S105-A108 WeakPolarHBondContact OG-CB 3.47Å; S105-A108 PolarHBondContact OG-N 3.17Å; S105-A108 VanDerWaalsContact OG-N 3.07Å; A108-R111 PolarHBondContact O-N 3.47Å; A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 3Å; A108-L176 VanDerWaalsContact CA-O 3.3Å; A108-L176 WeakPolarHBondContact CA-O 3.46Å; A108-L176 HydrophobicContact CB-CB 3.96Å; A108-L176 VanDerWaalsContact CB-O 3.27Å; A108-L176 WeakPolarHBondContact CB-O 3.49Å; A108-D177 HydrophobicContact CB-CB 4.29Å
109K92.8Very high90.9Very high38 Ų3847.1 Ų47.117%0.16523%0.23CC..Hα-helixtrans-62.6-42.1172.8-69.8-172.3-175.8-167.30112.4W79 I97 E98 V103 S105 R107 R111 A112 W113W79-K109 HydrophobicContact CD2-CB 4.18Å; W79-K109 HydrophobicContact CG-CB 4.05Å; W79-K109 HydrophobicContact CZ2-CB 4.5Å; I97-K109 HydrophobicContact CG2-CB 3.83Å; I97-K109 HydrophobicContact CG2-CG 4.21Å; I97-K109 WeakPolarHBondContact CG2-O 3.45Å; E98-K109 PolarHBondContact O-NZ 3.27Å; V103-K109 HydrophobicContact CG1-CB 4.37Å; V103-K109 HydrophobicContact CG1-CG 3.77Å; V103-K109 VanDerWaalsContact CG1-N 3.32Å; V103-K109 WeakPolarHBondContact O-CE 3.46Å; S105-K109 WeakPolarHBondContact O-CG 3.39Å; S105-K109 PolarHBondContact O-N 3.47Å; R107-K109 VanDerWaalsContact C-N 3.26Å; R107-K109 PolarHBondContact O-N 3.32Å; K109-R111 PolarHBondContact O-N 3.32Å; K109-A112 PolarHBondContact O-N 3.49Å; K109-W113 WeakPolarHBondContact O-CB 3.49Å; K109-W113 PolarHBondContact O-N 2.96Å
110G93.9Very high91.1Very high0 Ų046.8 Ų46.80%022%0.218CC..Hα-helixtrans-60-42.717300000113.1F78 S106 R107 W113 I114F78-G110 VanDerWaalsContact CZ-C 3.42Å; F78-G110 VanDerWaalsContact CZ-CA 3.48Å; S106-G110 PolarHBondContact O-N 3.28Å; R107-G110 WeakPolarHBondContact O-CA 3.43Å; R107-G110 PolarHBondContact O-N 2.96Å; R107-G110 VanDerWaalsContact O-N 3.08Å; G110-W113 WeakPolarHBondContact O-CB 3.28Å; G110-W113 PolarHBondContact O-N 3.47Å; G110-I114 WeakPolarHBondContact O-CG1 3.47Å; G110-I114 PolarHBondContact O-N 2.92Å
111R93Very high91.5Very high21 Ų2148.3 Ų48.38%0.07922%0.224CC..Hα-helixtrans-68.9-37.1177-71.9-177.5179.6176.36.2113E56 R107 A108 K109 W113 I114 R115 L176E56-R111 IonicContact OE1-NH2 2.89Å; E56-R111 PolarHBondContact OE1-NH2 3.03Å; E56-R111 IonicContact OE2-CZ 3Å; E56-R111 IonicContact OE2-NE 3.69Å; E56-R111 PolarHBondContact OE2-NE 3.22Å; E56-R111 IonicContact OE2-NH2 2.69Å; E56-R111 PolarHBondContact OE2-NH2 2.79Å; R107-R111 PolarHBondContact O-N 3.41Å; A108-R111 PolarHBondContact O-N 3.47Å; K109-R111 PolarHBondContact O-N 3.32Å; R111-W113 VanDerWaalsContact C-N 3.34Å; R111-I114 PolarHBondContact O-N 3.25Å; R111-R115 PolarHBondContact O-N 2.9Å; R111-R115 PolarHBondContact O-NH1 3.11Å; R111-L176 HydrophobicContact CB-CD2 3.81Å
112A93.8Very high92.1Very high0 Ų042.6 Ų42.60%020%0.195CC..Hα-helixtrans-63.5-43.5172.200000110.7I97 M100 V103 A108 K109 I114 R115 V116 L171 L176I97-A112 HydrophobicContact CD1-CB 4.02Å; I97-A112 HydrophobicContact CG2-CB 4.49Å; M100-A112 HydrophobicContact SD-CB 4.28Å; V103-A112 HydrophobicContact CG1-CB 4.37Å; A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 3Å; K109-A112 PolarHBondContact O-N 3.49Å; A112-I114 PolarHBondContact O-N 2.88Å; A112-R115 PolarHBondContact O-N 3.43Å; A112-V116 WeakPolarHBondContact O-CG2 3.47Å; A112-V116 PolarHBondContact O-N 3.19Å; A112-L171 HydrophobicContact CB-CD2 4.44Å; A112-L176 HydrophobicContact CB-CD1 3.98Å
113W96Very high92.9Very high0 Ų036.8 Ų36.80%016%0.164CC..Hα-helixtrans-58-47.8175.9169.277.9000112L59 F78 W79 I82 I97 K109 G110 R111 R115 V116 V117 L123 Y126L59-W113 HydrophobicContact CD1-CZ3 4.22Å; F78-W113 HydrophobicContact CE2-CE3 4.15Å; F78-W113 HydrophobicContact CE2-CZ3 4.27Å; W79-W113 HydrophobicContact CE3-CB 3.85Å; W79-W113 HydrophobicContact CE3-CD2 4.48Å; W79-W113 HydrophobicContact CE3-CG 4.04Å; W79-W113 HydrophobicContact CH2-CB 3.99Å; W79-W113 HydrophobicContact CH2-CG 4.14Å; W79-W113 HydrophobicContact CZ3-CB 3.34Å; W79-W113 AromaticContact CZ3-CD1 3.57Å; W79-W113 HydrophobicContact CZ3-CD2 4.03Å; W79-W113 AromaticContact CZ3-CG 3.33Å; W79-W113 HydrophobicContact CZ3-CG 3.33Å; I82-W113 HydrophobicContact CD1-CH2 3.7Å; I82-W113 HydrophobicContact CD1-CZ2 4.21Å; I82-W113 HydrophobicContact CD1-CZ3 4.02Å; I82-W113 HydrophobicContact CG1-CE3 4.29Å; I82-W113 HydrophobicContact CG1-CH2 4.07Å; I82-W113 HydrophobicContact CG1-CZ2 4.47Å; I82-W113 HydrophobicContact CG1-CZ3 3.96Å; I82-W113 HydrophobicContact CG2-CD2 3.88Å; I82-W113 HydrophobicContact CG2-CE3 4.28Å; I82-W113 HydrophobicContact CG2-CG 4.43Å; I82-W113 HydrophobicContact CG2-CH2 4.17Å; I82-W113 HydrophobicContact CG2-CZ2 3.72Å; I82-W113 HydrophobicContact CG2-CZ3 4.42Å; I97-W113 HydrophobicContact CG1-CB 4.34Å; K109-W113 WeakPolarHBondContact O-CB 3.49Å; K109-W113 PolarHBondContact O-N 2.96Å; G110-W113 WeakPolarHBondContact O-CB 3.28Å; G110-W113 PolarHBondContact O-N 3.47Å; R111-W113 VanDerWaalsContact C-N 3.34Å; W113-R115 VanDerWaalsContact C-N 3.29Å; W113-R115 PolarHBondContact O-N 3.32Å; W113-V116 PolarHBondContact O-N 2.97Å; W113-V117 HydrophobicContact CD2-CG1 4.4Å; W113-V117 HydrophobicContact CD2-CG2 4.39Å; W113-V117 HydrophobicContact CG-CG1 4.36Å; W113-V117 HydrophobicContact CH2-CG2 4.48Å; W113-V117 HydrophobicContact CZ2-CG1 4.21Å; W113-V117 HydrophobicContact CZ2-CG2 4.1Å; W113-V117 WeakPolarHBondContact O-CG2 3.2Å; W113-V117 PolarHBondContact O-N 3.45Å; W113-L123 HydrophobicContact CH2-CD1 3.86Å; W113-L123 HydrophobicContact CZ2-CD1 4.47Å; W113-L123 HydrophobicContact CZ3-CD1 4.29Å; W113-Y126 AromaticContact CZ2-CD1 3.93Å; W113-Y126 HydrophobicContact CZ2-CD1 3.93Å; W113-Y126 HydrophobicContact CZ2-CG 4.02Å; W113-Y126 AromaticContact NE1-CD1 3.74Å; W113-Y126 AromaticContact NE1-CE1 3.74Å
114I95.8Very high93.6Very high0 Ų037 Ų370%017%0.166CC..Hα-helixtrans-53-48.4177-68.4168.6000110.6V52 L55 F78 G110 R111 A112 V117 L118V52-I114 HydrophobicContact CG1-CD1 4.15Å; V52-I114 HydrophobicContact CG2-CG2 4.17Å; L55-I114 HydrophobicContact CD2-CD1 4.05Å; L55-I114 HydrophobicContact CD2-CG1 4.12Å; L55-I114 HydrophobicContact CD2-CG2 4.11Å; L55-I114 HydrophobicContact CG-CD1 4.45Å; F78-I114 HydrophobicContact CE2-CD1 4.19Å; F78-I114 HydrophobicContact CE2-CG1 4.48Å; F78-I114 HydrophobicContact CZ-CD1 3.86Å; F78-I114 HydrophobicContact CZ-CG1 4.48Å; G110-I114 WeakPolarHBondContact O-CG1 3.47Å; G110-I114 PolarHBondContact O-N 2.92Å; R111-I114 PolarHBondContact O-N 3.25Å; A112-I114 PolarHBondContact O-N 2.88Å; I114-V117 WeakPolarHBondContact O-CG2 3.35Å; I114-L118 HydrophobicContact CG2-CD1 3.72Å; I114-L118 HydrophobicContact CG2-CG 4.39Å; I114-L118 WeakPolarHBondContact O-CB 3.49Å; I114-L118 WeakPolarHBondContact O-CD1 3.48Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 3.29Å
115R94.4Very high94.2Very high15 Ų1530.5 Ų30.56%0.05714%0.144CC..Hα-helixtrans-60.9-48178.8-72.6169.3177.868.63.3112D43 F48 R111 A112 W113 L118 M119 F169 L171 L176D43-R115 VanDerWaalsContact CG-NE 3.26Å; D43-R115 IonicContact OD1-CZ 2.64Å; D43-R115 IonicContact OD1-NE 2.79Å; D43-R115 PolarHBondContact OD1-NE 3.4Å; D43-R115 IonicContact OD1-NH2 2.81Å; D43-R115 PolarHBondContact OD1-NH2 3.34Å; D43-R115 IonicContact OD2-CZ 3.79Å; D43-R115 IonicContact OD2-NE 2.77Å; D43-R115 PolarHBondContact OD2-NE 3.29Å; D43-R115 IonicContact OD2-NH2 3.86Å; F48-R115 HydrophobicContact CE1-CG 4.43Å; F48-R115 HydrophobicContact CZ-CG 4.03Å; R111-R115 PolarHBondContact O-N 2.9Å; R111-R115 PolarHBondContact O-NH1 3.11Å; A112-R115 PolarHBondContact O-N 3.43Å; W113-R115 VanDerWaalsContact C-N 3.29Å; W113-R115 PolarHBondContact O-N 3.32Å; R115-L118 PolarHBondContact O-N 3.49Å; R115-M119 WeakPolarHBondContact O-CG 3.49Å; R115-M119 PolarHBondContact O-N 3.32Å; R115-F169 HydrophobicContact CB-CB 4.43Å; R115-F169 HydrophobicContact CB-CD2 3.68Å; R115-F169 HydrophobicContact CB-CE2 4.29Å; R115-F169 HydrophobicContact CB-CG 4.33Å; R115-F169 HydrophobicContact CG-CD2 3.86Å; R115-F169 HydrophobicContact CG-CE2 4.28Å; R115-F169 HydrophobicContact CG-CG 4.22Å; R115-L171 HydrophobicContact CB-CD2 3.91Å; R115-L176 VanDerWaalsContact NH1-CD2 3.32Å
116V95.1Very high94.7Very high22 Ų2229 Ų2913%0.13313%0.134CC..Hα-helixtrans-62.2-47.8-179.91720000111.4C93 I97 A112 W113 L118 M119 E120 L171C93-V116 HydrophobicContact CB-CG1 3.8Å; I97-V116 HydrophobicContact CD1-CB 4.27Å; I97-V116 HydrophobicContact CD1-CG2 3.73Å; A112-V116 WeakPolarHBondContact O-CG2 3.47Å; A112-V116 PolarHBondContact O-N 3.19Å; W113-V116 PolarHBondContact O-N 2.97Å; V116-L118 VanDerWaalsContact C-N 3.28Å; V116-L118 PolarHBondContact O-N 3.08Å; V116-M119 PolarHBondContact O-N 2.87Å; V116-E120 HydrophobicContact CG1-CG 4.45Å; V116-E120 WeakPolarHBondContact O-CG 3.32Å; V116-E120 PolarHBondContact O-N 3.04Å; V116-L171 HydrophobicContact CG2-CD1 3.65Å
117V96.8Very high95.1Very high0 Ų027.3 Ų27.30%012%0.122CC..Hα-helixtrans-71.4-23.2-178.4-600000113.5W113 I114 K121 R122 L123 Y126W113-V117 HydrophobicContact CD2-CG1 4.4Å; W113-V117 HydrophobicContact CD2-CG2 4.39Å; W113-V117 HydrophobicContact CG-CG1 4.36Å; W113-V117 HydrophobicContact CH2-CG2 4.48Å; W113-V117 HydrophobicContact CZ2-CG1 4.21Å; W113-V117 HydrophobicContact CZ2-CG2 4.1Å; W113-V117 WeakPolarHBondContact O-CG2 3.2Å; W113-V117 PolarHBondContact O-N 3.45Å; I114-V117 WeakPolarHBondContact O-CG2 3.35Å; V117-K121 PolarHBondContact O-N 3.08Å; V117-R122 PolarHBondContact O-N 3.3Å; V117-L123 HydrophobicContact CG2-CB 3.9Å; V117-L123 HydrophobicContact CG2-CD1 3.56Å; V117-L123 HydrophobicContact CG2-CG 4.3Å; V117-L123 PolarHBondContact O-N 3.01Å; V117-Y126 HydrophobicContact CB-CD2 4.46Å; V117-Y126 HydrophobicContact CB-CE2 4.44Å; V117-Y126 HydrophobicContact CG1-CD2 4.01Å; V117-Y126 HydrophobicContact CG1-CE1 4.3Å; V117-Y126 HydrophobicContact CG1-CE2 3.73Å; V117-Y126 HydrophobicContact CG1-CG 4.37Å
118L96.4Very high95.4Very high3 Ų324.3 Ų24.32%0.01612%0.116CC..Hα-helixtrans-72.3-44.7170.7-77.1171.7000111.4F48 F51 I114 R115 V116 E120 K121 L123 L162 F167 F169F48-L118 HydrophobicContact CE2-CD1 3.64Å; F48-L118 HydrophobicContact CZ-CD1 4.29Å; F51-L118 HydrophobicContact CE1-CD1 4.1Å; I114-L118 HydrophobicContact CG2-CD1 3.72Å; I114-L118 HydrophobicContact CG2-CG 4.39Å; I114-L118 WeakPolarHBondContact O-CB 3.49Å; I114-L118 WeakPolarHBondContact O-CD1 3.48Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 3.29Å; R115-L118 PolarHBondContact O-N 3.49Å; V116-L118 VanDerWaalsContact C-N 3.28Å; V116-L118 PolarHBondContact O-N 3.08Å; L118-E120 VanDerWaalsContact C-N 3.27Å; L118-E120 PolarHBondContact O-N 3.48Å; L118-K121 WeakPolarHBondContact O-CA 3.47Å; L118-K121 PolarHBondContact O-N 3.35Å; L118-L123 HydrophobicContact CD2-CB 3.99Å; L118-L123 HydrophobicContact CD2-CD2 3.53Å; L118-L123 HydrophobicContact CD2-CG 4.4Å; L118-L123 HydrophobicContact CG-CB 4.45Å; L118-L123 HydrophobicContact CG-CD2 4.06Å; L118-L162 HydrophobicContact CD2-CB 4.21Å; L118-L162 HydrophobicContact CD2-CD1 3.93Å; L118-F167 HydrophobicContact CB-CD2 3.86Å; L118-F167 HydrophobicContact CB-CE2 4.15Å; L118-F167 HydrophobicContact CB-CG 4.32Å; L118-F167 HydrophobicContact CD2-CD2 4.41Å; L118-F167 HydrophobicContact CD2-CE2 3.84Å; L118-F167 HydrophobicContact CD2-CZ 4.27Å; L118-F167 HydrophobicContact CG-CE2 4.46Å; L118-F169 HydrophobicContact CB-CE2 4.09Å; L118-F169 HydrophobicContact CD1-CE2 4.28Å
119M94.6Very high95.8Very high84 Ų8427.3 Ų27.341%0.41413%0.129SC..Hα-helixtrans-62-36.5173.7-69.3174.97000111.9R115 V116 K121 F167 F169R115-M119 WeakPolarHBondContact O-CG 3.49Å; R115-M119 PolarHBondContact O-N 3.32Å; V116-M119 PolarHBondContact O-N 2.87Å; M119-K121 PolarHBondContact O-N 3.11Å; M119-F167 HydrophobicContact CG-CB 4.18Å; M119-F169 HydrophobicContact CG-CD2 3.65Å; M119-F169 HydrophobicContact CG-CE2 4.26Å; M119-F169 HydrophobicContact CG-CG 4.41Å; M119-F169 HydrophobicContact SD-CB 3.78Å; M119-F169 HydrophobicContact SD-CD2 3.88Å; M119-F169 HydrophobicContact SD-CG 4.23Å
120E95.3Very high95.9Very high79 Ų7925.6 Ų25.637%0.36912%0.122SC..THydrogen-bonded Turntrans-73.6-10.3173.2-70.8-179-176.100113.4V116 L118 R122V116-E120 HydrophobicContact CG1-CG 4.45Å; V116-E120 WeakPolarHBondContact O-CG 3.32Å; V116-E120 PolarHBondContact O-N 3.04Å; L118-E120 VanDerWaalsContact C-N 3.27Å; L118-E120 PolarHBondContact O-N 3.48Å; E120-R122 VanDerWaalsContact C-N 3.34Å; E120-R122 HydrophobicContact CB-CB 4.39Å; E120-R122 HydrophobicContact CB-CG 4.2Å; E120-R122 WeakPolarHBondContact O-CG 3.37Å; E120-R122 IonicContact OE2-NH1 3.85Å
121K96.4Very high96Very high77 Ų7727.3 Ų27.334%0.33513%0.131SC..THydrogen-bonded Turntrans60.437.5-174.9-58.4174.8168.5-166.40113.8V117 L118 M119 N163 I165 D166V117-K121 PolarHBondContact O-N 3.08Å; L118-K121 WeakPolarHBondContact O-CA 3.47Å; L118-K121 PolarHBondContact O-N 3.35Å; M119-K121 PolarHBondContact O-N 3.11Å; K121-N163 HydrophobicContact CB-CB 4.34Å; K121-N163 VanDerWaalsContact CD-O 3.25Å; K121-N163 WeakPolarHBondContact CD-O 3.47Å; K121-N163 PolarHBondContact O-OD1 3.46Å; K121-I165 WeakPolarHBondContact CE-O 3.47Å; K121-D166 WeakPolarHBondContact CE-OD1 3.46Å; K121-D166 IonicContact NZ-OD1 2.85Å; K121-D166 PolarHBondContact NZ-OD1 3.5Å
122R97.1Very high96Very high45 Ų4534.5 Ų34.517%0.1716%0.163CC..  trans-123.83.2-173.1-66.5177.973.8-160.24114.4P90 H91 V117 E120 S124 E125 Y126P90-R122 PolarHBondContact O-NH1 3.07Å; P90-R122 PolarHBondContact O-NH2 2.86Å; H91-R122 PolarHBondContact O-NH1 3.14Å; V117-R122 PolarHBondContact O-N 3.3Å; E120-R122 VanDerWaalsContact C-N 3.34Å; E120-R122 HydrophobicContact CB-CB 4.39Å; E120-R122 HydrophobicContact CB-CG 4.2Å; E120-R122 WeakPolarHBondContact O-CG 3.37Å; E120-R122 IonicContact OE2-NH1 3.85Å; R122-S124 VanDerWaalsContact C-N 3.29Å; R122-S124 PolarHBondContact O-N 3.07Å; R122-E125 IonicContact CZ-OE1 3.71Å; R122-E125 IonicContact CZ-OE2 2.77Å; R122-E125 IonicContact NE-OE1 2.71Å; R122-E125 IonicContact NE-OE2 3.68Å; R122-E125 PolarHBondContact NE-OE2 3.16Å; R122-E125 IonicContact NH2-OE1 3.01Å; R122-E125 PolarHBondContact NH2-OE1 3.47Å; R122-E125 IonicContact NH2-OE2 3.79Å; R122-E125 PolarHBondContact NH2-OE2 2.84Å; R122-E125 WeakPolarHBondContact O-CB 3.33Å; R122-E125 PolarHBondContact O-N 2.97Å; R122-Y126 HydrophobicContact CB-CD2 4.02Å; R122-Y126 HydrophobicContact CB-CE2 3.93Å; R122-Y126 WeakPolarHBondContact O-CD2 3.25Å; R122-Y126 PolarHBondContact O-N 3.09Å; R122-Y126 VanDerWaalsContact O-N 3.11Å
123L97.8Very high96.1Very high0 Ų036.6 Ų36.60%017%0.174CC..Hα-helixtrans-52.3-45.9-177.417960.9000112.9F51 L55 W113 V117 L118 E125 Y126 V127 L159 L162F51-L123 HydrophobicContact CE1-CD2 4.29Å; F51-L123 HydrophobicContact CZ-CD2 4.02Å; L55-L123 HydrophobicContact CD2-CD1 4.12Å; L55-L123 HydrophobicContact CD2-CD2 3.76Å; W113-L123 HydrophobicContact CH2-CD1 3.86Å; W113-L123 HydrophobicContact CZ2-CD1 4.47Å; W113-L123 HydrophobicContact CZ3-CD1 4.29Å; V117-L123 HydrophobicContact CG2-CB 3.9Å; V117-L123 HydrophobicContact CG2-CD1 3.56Å; V117-L123 HydrophobicContact CG2-CG 4.3Å; V117-L123 PolarHBondContact O-N 3.01Å; L118-L123 HydrophobicContact CD2-CB 3.99Å; L118-L123 HydrophobicContact CD2-CD2 3.53Å; L118-L123 HydrophobicContact CD2-CG 4.4Å; L118-L123 HydrophobicContact CG-CB 4.45Å; L118-L123 HydrophobicContact CG-CD2 4.06Å; L123-E125 VanDerWaalsContact C-N 3.35Å; L123-E125 PolarHBondContact O-N 2.8Å; L123-Y126 PolarHBondContact O-N 3.23Å; L123-V127 HydrophobicContact CD1-CG2 4.18Å; L123-V127 WeakPolarHBondContact O-CG2 3.32Å; L123-V127 PolarHBondContact O-N 3.47Å; L123-L159 HydrophobicContact CD2-CD1 4.43Å; L123-L159 HydrophobicContact CD2-CD2 3.9Å; L123-L159 HydrophobicContact CG-CD1 4.31Å; L123-L162 HydrophobicContact CD2-CD1 4.1Å
124S97.1Very high95.9Very high8 Ų841.9 Ų41.96%0.05620%0.197CC..Hα-helixtrans-62.8-37.1177.952.20000113.1R122 S128 N163R122-S124 VanDerWaalsContact C-N 3.29Å; R122-S124 PolarHBondContact O-N 3.07Å; S124-S128 VanDerWaalsContact O-CB 3.23Å; S124-S128 WeakPolarHBondContact O-CB 3.3Å; S124-S128 PolarHBondContact O-N 2.86Å; S124-S128 PolarHBondContact O-OG 2.92Å; S124-N163 PolarHBondContact OG-ND2 3.07Å; S124-N163 PolarHBondContact OG-OD1 3.41Å
125E97.1Very high95.8Very high79 Ų7950.1 Ų50.137%0.36923%0.233SC..Hα-helixtrans-62.6-49.7175.8-175.1-165.6155.600111R122 L123 S128 F129R122-E125 IonicContact CZ-OE1 3.71Å; R122-E125 IonicContact CZ-OE2 2.77Å; R122-E125 IonicContact NE-OE1 2.71Å; R122-E125 IonicContact NE-OE2 3.68Å; R122-E125 PolarHBondContact NE-OE2 3.16Å; R122-E125 IonicContact NH2-OE1 3.01Å; R122-E125 PolarHBondContact NH2-OE1 3.47Å; R122-E125 IonicContact NH2-OE2 3.79Å; R122-E125 PolarHBondContact NH2-OE2 2.84Å; R122-E125 WeakPolarHBondContact O-CB 3.33Å; R122-E125 PolarHBondContact O-N 2.97Å; L123-E125 VanDerWaalsContact C-N 3.35Å; L123-E125 PolarHBondContact O-N 2.8Å; E125-S128 PolarHBondContact O-N 3.33Å; E125-F129 WeakPolarHBondContact O-CB 3.24Å; E125-F129 PolarHBondContact O-N 2.97Å
126Y97.9Very high95.8Very high0 Ų050.8 Ų50.80%024%0.239CC..Hα-helixtrans-62.6-46.2179.4-82.1-107.4000111.7C86 V89 N92 C93 W113 V117 R122 L123 F129 A130C86-Y126 HydrophobicContact CB-CD1 3.73Å; C86-Y126 HydrophobicContact CB-CE1 4.28Å; V89-Y126 HydrophobicContact CB-CE1 4.32Å; V89-Y126 HydrophobicContact CG1-CD1 4.42Å; V89-Y126 HydrophobicContact CG1-CD2 4.33Å; V89-Y126 HydrophobicContact CG1-CE1 4.16Å; V89-Y126 HydrophobicContact CG1-CE2 4.1Å; V89-Y126 HydrophobicContact CG2-CD1 4.23Å; N92-Y126 WeakPolarHBondContact CA-OH 3.21Å; N92-Y126 HydrophobicContact CB-CE1 3.99Å; N92-Y126 WeakPolarHBondContact CB-OH 3.38Å; C93-Y126 PolarHBondContact N-OH 3.42Å; C93-Y126 VanDerWaalsContact N-OH 3.1Å; W113-Y126 AromaticContact CZ2-CD1 3.93Å; W113-Y126 HydrophobicContact CZ2-CD1 3.93Å; W113-Y126 HydrophobicContact CZ2-CG 4.02Å; W113-Y126 AromaticContact NE1-CD1 3.74Å; W113-Y126 AromaticContact NE1-CE1 3.74Å; V117-Y126 HydrophobicContact CB-CD2 4.46Å; V117-Y126 HydrophobicContact CB-CE2 4.44Å; V117-Y126 HydrophobicContact CG1-CD2 4.01Å; V117-Y126 HydrophobicContact CG1-CE1 4.3Å; V117-Y126 HydrophobicContact CG1-CE2 3.73Å; V117-Y126 HydrophobicContact CG1-CG 4.37Å; R122-Y126 HydrophobicContact CB-CD2 4.02Å; R122-Y126 HydrophobicContact CB-CE2 3.93Å; R122-Y126 WeakPolarHBondContact O-CD2 3.25Å; R122-Y126 PolarHBondContact O-N 3.09Å; R122-Y126 VanDerWaalsContact O-N 3.11Å; L123-Y126 PolarHBondContact O-N 3.23Å; Y126-F129 PolarHBondContact O-N 2.94Å; Y126-A130 WeakPolarHBondContact O-CB 3.46Å; Y126-A130 PolarHBondContact O-N 3.35Å
127V96.9Very high95.7Very high4 Ų449.8 Ų49.82%0.02423%0.233CC..Hα-helixtrans-62.8-45.1178.7173.70000110.3L123 F129 A130 L131 L155 A156 L159L123-V127 HydrophobicContact CD1-CG2 4.18Å; L123-V127 WeakPolarHBondContact O-CG2 3.32Å; L123-V127 PolarHBondContact O-N 3.47Å; V127-F129 VanDerWaalsContact C-N 3.31Å; V127-F129 PolarHBondContact O-N 2.92Å; V127-A130 PolarHBondContact O-N 2.94Å; V127-L131 HydrophobicContact CG1-CD1 4.09Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 VanDerWaalsContact O-CG 3.29Å; V127-L131 WeakPolarHBondContact O-CG 3.46Å; V127-L131 PolarHBondContact O-N 2.84Å; V127-L155 HydrophobicContact CG1-CD2 4.23Å; V127-L155 HydrophobicContact CG1-CG 4.49Å; V127-A156 HydrophobicContact CG1-CB 4.34Å; V127-L159 HydrophobicContact CB-CD1 4.16Å; V127-L159 HydrophobicContact CG1-CD1 4.19Å; V127-L159 HydrophobicContact CG2-CD1 3.82Å
128S96.3Very high95.6Very high34 Ų3457.8 Ų57.824%0.23826%0.263CS..Hα-helixtrans-59.2-41.6175.4-620000112.5S124 E125 L131 K132 A156S124-S128 VanDerWaalsContact O-CB 3.23Å; S124-S128 WeakPolarHBondContact O-CB 3.3Å; S124-S128 PolarHBondContact O-N 2.86Å; S124-S128 PolarHBondContact O-OG 2.92Å; E125-S128 PolarHBondContact O-N 3.33Å; S128-L131 PolarHBondContact O-N 3.4Å; S128-K132 WeakPolarHBondContact O-CG 3.19Å; S128-K132 PolarHBondContact O-N 3.37Å; S128-A156 WeakPolarHBondContact OG-CB 3.42Å
129F96.8Very high95.5Very high65 Ų6566.9 Ų66.929%0.28530%0.297SS..Hα-helixtrans-64.2-45.5177.7-169.1-83.8000111.3A85 K88 V89 E125 Y126 V127 L131 K132 D133A85-F129 WeakPolarHBondContact O-CD1 3.49Å; A85-F129 WeakPolarHBondContact O-CE1 3.35Å; K88-F129 HydrophobicContact CB-CE1 3.92Å; K88-F129 HydrophobicContact CB-CZ 3.6Å; V89-F129 HydrophobicContact CG2-CB 3.79Å; V89-F129 HydrophobicContact CG2-CD1 3.56Å; V89-F129 HydrophobicContact CG2-CD2 3.98Å; V89-F129 HydrophobicContact CG2-CE1 4.13Å; V89-F129 HydrophobicContact CG2-CE2 4.49Å; V89-F129 HydrophobicContact CG2-CG 3.49Å; V89-F129 VanDerWaalsContact CG2-CG 3.49Å; E125-F129 WeakPolarHBondContact O-CB 3.24Å; E125-F129 PolarHBondContact O-N 2.97Å; Y126-F129 PolarHBondContact O-N 2.94Å; V127-F129 VanDerWaalsContact C-N 3.31Å; V127-F129 PolarHBondContact O-N 2.92Å; F129-L131 VanDerWaalsContact C-N 3.34Å; F129-L131 PolarHBondContact O-N 2.97Å; F129-K132 PolarHBondContact O-N 3.14Å; F129-D133 PolarHBondContact O-N 2.74Å
130A96.2Very high95.4Very high2 Ų264.1 Ų64.12%0.01728%0.283CS..Hα-helixtrans-62.1-40.6178.600000112.2Y81 A85 Y126 V127 K132 D133 T137Y81-A130 HydrophobicContact CE1-CB 4.38Å; Y81-A130 WeakPolarHBondContact OH-CB 2.97Å; A85-A130 HydrophobicContact CB-CB 3.83Å; Y126-A130 WeakPolarHBondContact O-CB 3.46Å; Y126-A130 PolarHBondContact O-N 3.35Å; V127-A130 PolarHBondContact O-N 2.94Å; A130-K132 VanDerWaalsContact C-N 3.28Å; A130-K132 PolarHBondContact O-N 3.11Å; A130-D133 PolarHBondContact O-N 3.22Å; A130-T137 PolarHBondContact O-OG1 3.27Å
131L94.5Very high95.4Very high35 Ų3560.4 Ų60.418%0.18327%0.265CS..Hα-helixtrans-65.7-28.9177.2-68176.9000113.1V127 S128 F129 I147 A152 A156V127-L131 HydrophobicContact CG1-CD1 4.09Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 VanDerWaalsContact O-CG 3.29Å; V127-L131 WeakPolarHBondContact O-CG 3.46Å; V127-L131 PolarHBondContact O-N 2.84Å; S128-L131 PolarHBondContact O-N 3.4Å; F129-L131 VanDerWaalsContact C-N 3.34Å; F129-L131 PolarHBondContact O-N 2.97Å; L131-I147 HydrophobicContact CD2-CB 4.48Å; L131-I147 HydrophobicContact CD2-CG2 3.54Å; L131-I147 WeakPolarHBondContact CD2-O 3.25Å; L131-A152 HydrophobicContact CD1-CB 4.07Å; L131-A152 WeakPolarHBondContact CD1-O 3.44Å; L131-A152 HydrophobicContact CD2-CB 3.75Å; L131-A156 HydrophobicContact CD1-CB 4.22Å
132K94.8Very high95.2Very high173 Ų17361 Ų6175%0.75227%0.269SS*.Hα-helixtrans-72.2-30.2175.8-72.3170.9-176.7178.10112.7S128 F129 A130 F134S128-K132 WeakPolarHBondContact O-CG 3.19Å; S128-K132 PolarHBondContact O-N 3.37Å; F129-K132 PolarHBondContact O-N 3.14Å; A130-K132 VanDerWaalsContact C-N 3.28Å; A130-K132 PolarHBondContact O-N 3.11Å; K132-F134 PolarHBondContact O-N 3.03Å
133D94.3Very high94.9Very high44 Ų4467.5 Ų67.524%0.23530%0.302CS..  trans-82.964.5174.6-169.61.4000112F129 A130 K135 T136 T137F129-D133 PolarHBondContact O-N 2.74Å; A130-D133 PolarHBondContact O-N 3.22Å; D133-K135 PolarHBondContact O-N 3.36Å; D133-K135 VanDerWaalsContact O-N 3.08Å; D133-T136 PolarHBondContact O-N 2.89Å; D133-T136 VanDerWaalsContact O-N 3.07Å; D133-T136 PolarHBondContact OD1-N 2.89Å; D133-T136 PolarHBondContact OD1-OG1 3.29Å; D133-T136 WeakPolarHBondContact OD2-CB 3.5Å; D133-T136 PolarHBondContact OD2-OG1 2.84Å; D133-T137 PolarHBondContact O-N 2.96Å; D133-T137 PolarHBondContact O-OG1 3.4Å
134F92.4Very high94.4Very high111 Ų11169 Ų6949%0.48732%0.317SS..Hα-helixtrans-56.5-30.3-177.3-170.4-101.8000113.4K132 R138 L148K132-F134 PolarHBondContact O-N 3.03Å; F134-R138 VanDerWaalsContact O-CB 3.27Å; F134-R138 WeakPolarHBondContact O-CB 3.3Å; F134-R138 PolarHBondContact O-N 2.85Å; F134-L148 HydrophobicContact CD2-CD2 4.34Å; F134-L148 HydrophobicContact CE2-CD2 3.83Å; F134-L148 HydrophobicContact CZ-CD2 4.37Å
135K93.6Very high94.2Very high172 Ų17268.7 Ų68.775%0.74832%0.315SS*.Hα-helixtrans-65-45.6178.1-72.5-176.9-179.11770111.2D133 R139D133-K135 PolarHBondContact O-N 3.36Å; D133-K135 VanDerWaalsContact O-N 3.08Å; K135-R139 WeakPolarHBondContact O-CG 3.41Å
136T94.1Very high94Very high29 Ų2965 Ų6518%0.17830%0.298CS..Hα-helixtrans-69.1-48.7176.4-61.60000110.1A84 A85 D133 R138 R139 F140A84-T136 HydrophobicContact CB-CG2 3.91Å; A85-T136 HydrophobicContact CB-CG2 4.21Å; D133-T136 PolarHBondContact O-N 2.89Å; D133-T136 VanDerWaalsContact O-N 3.07Å; D133-T136 PolarHBondContact OD1-N 2.89Å; D133-T136 PolarHBondContact OD1-OG1 3.29Å; D133-T136 WeakPolarHBondContact OD2-CB 3.5Å; D133-T136 PolarHBondContact OD2-OG1 2.84Å; T136-R138 VanDerWaalsContact C-N 3.33Å; T136-R138 PolarHBondContact O-N 2.92Å; T136-R139 WeakPolarHBondContact O-CB 3.29Å; T136-R139 PolarHBondContact O-N 2.97Å; T136-F140 HydrophobicContact CG2-CD2 4.13Å; T136-F140 HydrophobicContact CG2-CE2 3.96Å; T136-F140 WeakPolarHBondContact O-CD2 3.27Å; T136-F140 PolarHBondContact O-N 3.41Å
137T94.3Very high93.8Very high2 Ų265.3 Ų65.31%0.01230%0.299CS..Hα-helixtrans-55.2-44.5-179.3-540000112.7Y81 A130 D133 R139 F140 F141 I147 L148Y81-T137 HydrophobicContact CE2-CG2 4.1Å; Y81-T137 PolarHBondContact OH-OG1 2.86Å; A130-T137 PolarHBondContact O-OG1 3.27Å; D133-T137 PolarHBondContact O-N 2.96Å; D133-T137 PolarHBondContact O-OG1 3.4Å; T137-R139 PolarHBondContact O-N 3.24Å; T137-F140 PolarHBondContact O-N 3.27Å; T137-F140 VanDerWaalsContact O-N 3.08Å; T137-F141 HydrophobicContact CG2-CD2 3.87Å; T137-F141 HydrophobicContact CG2-CE2 4.24Å; T137-F141 WeakPolarHBondContact O-CD2 3.36Å; T137-F141 PolarHBondContact O-N 2.69Å; T137-F141 VanDerWaalsContact O-N 3.15Å; T137-I147 HydrophobicContact CG2-CB 4.48Å; T137-I147 HydrophobicContact CG2-CG2 3.5Å; T137-I147 VanDerWaalsContact CG2-CG2 3.5Å; T137-L148 HydrophobicContact CG2-CD2 3.69Å; T137-L148 HydrophobicContact CG2-CG 4.44Å
138R94.4Very high93.6Very high167 Ų16767.2 Ų67.263%0.6331%0.309SS*.Hα-helixtrans-63.9-24.7178-169.7175.6-179.1-172.51.6113.9K64 F134 T136 L148K64-R138 PolarHBondContact NZ-O 3.2Å; F134-R138 VanDerWaalsContact O-CB 3.27Å; F134-R138 WeakPolarHBondContact O-CB 3.3Å; F134-R138 PolarHBondContact O-N 2.85Å; T136-R138 VanDerWaalsContact C-N 3.33Å; T136-R138 PolarHBondContact O-N 2.92Å; R138-L148 HydrophobicContact CB-CD2 4.38Å
139R93.1Very high93.2Very high195 Ų19566.3 Ų66.374%0.73631%0.305SS*.Hα-helixtrans-72.6-32.4175.2-67.1174.3-178-153.3-0.9112K64 K135 T136 T137K64-R139 WeakPolarHBondContact CD-O 3.33Å; K135-R139 WeakPolarHBondContact O-CG 3.41Å; T136-R139 WeakPolarHBondContact O-CB 3.29Å; T136-R139 PolarHBondContact O-N 2.97Å; T137-R139 PolarHBondContact O-N 3.24Å
140F94.1Very high92.6Very high25 Ų2572.8 Ų72.811%0.1134%0.336CS..Hα-helixtrans-89.5-26.9-176-80-94.5000113.9L63 K64 D80 Y81 A84 T136 T137L63-F140 HydrophobicContact CD1-CB 4.05Å; L63-F140 HydrophobicContact CD1-CD1 4.43Å; L63-F140 WeakPolarHBondContact CD1-O 3.36Å; K64-F140 WeakPolarHBondContact CB-O 3.35Å; K64-F140 PolarHBondContact N-O 2.94Å; D80-F140 HydrophobicContact CB-CE1 4.15Å; Y81-F140 HydrophobicContact CD2-CB 3.96Å; Y81-F140 HydrophobicContact CD2-CD2 4.07Å; Y81-F140 AromaticContact CD2-CG 3.95Å; Y81-F140 HydrophobicContact CD2-CG 3.95Å; Y81-F140 HydrophobicContact CG-CB 4.4Å; Y81-F140 HydrophobicContact CG-CG 4.41Å; A84-F140 HydrophobicContact CB-CE2 3.65Å; A84-F140 HydrophobicContact CB-CZ 3.67Å; T136-F140 HydrophobicContact CG2-CD2 4.13Å; T136-F140 HydrophobicContact CG2-CE2 3.96Å; T136-F140 WeakPolarHBondContact O-CD2 3.27Å; T136-F140 PolarHBondContact O-N 3.41Å; T137-F140 PolarHBondContact O-N 3.27Å; T137-F140 VanDerWaalsContact O-N 3.08Å
141F94.6Very high91.9Very high1 Ų174.9 Ų74.90%0.00435%0.346CS..BIsolated β-bridgetrans-113.5148.5-174.1-68.2-83.5000113.6L59 H61 L63 K64 Y81 T137 A145 I147 L148L59-F141 VanDerWaalsContact O-CE1 3.25Å; L59-F141 WeakPolarHBondContact O-CE1 2.98Å; L59-F141 WeakPolarHBondContact O-CZ 3.46Å; H61-F141 WeakPolarHBondContact O-CD1 3.33Å; L63-F141 HydrophobicContact CB-CD1 4.43Å; L63-F141 HydrophobicContact CB-CE1 4.21Å; L63-F141 HydrophobicContact CD1-CD1 4.06Å; L63-F141 HydrophobicContact CD1-CE1 3.64Å; L63-F141 HydrophobicContact CD1-CE2 4.14Å; L63-F141 HydrophobicContact CD1-CG 4.49Å; L63-F141 HydrophobicContact CD1-CZ 3.68Å; K64-F141 WeakPolarHBondContact CE-O 3.48Å; K64-F141 PolarHBondContact NZ-O 2.82Å; Y81-F141 AromaticContact CD1-CE2 3.73Å; Y81-F141 HydrophobicContact CD1-CE2 3.73Å; Y81-F141 AromaticContact CD1-CZ 3.89Å; Y81-F141 HydrophobicContact CD1-CZ 3.89Å; Y81-F141 AromaticContact CD2-CE2 3.85Å; Y81-F141 HydrophobicContact CD2-CE2 3.85Å; Y81-F141 AromaticContact CE1-CE2 3.75Å; Y81-F141 HydrophobicContact CE1-CE2 3.75Å; Y81-F141 HydrophobicContact CE1-CZ 4.09Å; Y81-F141 AromaticContact CE2-CE2 3.88Å; Y81-F141 HydrophobicContact CE2-CE2 3.88Å; Y81-F141 AromaticContact CG-CE2 3.76Å; Y81-F141 HydrophobicContact CG-CE2 3.76Å; Y81-F141 HydrophobicContact CG-CZ 4.2Å; Y81-F141 AromaticContact CZ-CE2 3.82Å; T137-F141 HydrophobicContact CG2-CD2 3.87Å; T137-F141 HydrophobicContact CG2-CE2 4.24Å; T137-F141 WeakPolarHBondContact O-CD2 3.36Å; T137-F141 PolarHBondContact O-N 2.69Å; T137-F141 VanDerWaalsContact O-N 3.15Å; F141-A145 HydrophobicContact CB-CB 3.7Å; F141-A145 HydrophobicContact CD1-CB 3.87Å; F141-A145 HydrophobicContact CG-CB 4.08Å; F141-I147 HydrophobicContact CD2-CB 4.32Å; F141-I147 HydrophobicContact CD2-CG2 4.3Å; F141-I147 HydrophobicContact CE1-CB 4.41Å; F141-I147 HydrophobicContact CE1-CG1 4.04Å; F141-I147 HydrophobicContact CE2-CB 4.13Å; F141-I147 HydrophobicContact CE2-CG1 4.28Å; F141-I147 HydrophobicContact CE2-CG2 3.95Å; F141-I147 HydrophobicContact CZ-CB 4.17Å; F141-I147 HydrophobicContact CZ-CG1 3.84Å; F141-I147 HydrophobicContact CZ-CG2 4.34Å; F141-L148 HydrophobicContact CB-CD1 3.67Å; F141-L148 HydrophobicContact CB-CG 3.97Å
142E92.9Very high91.6Very high91 Ų9173.5 Ų73.543%0.42534%0.339SS..  trans-77.4161.6169.6-55.2-177.1165.100112.2R62 K64 G144 A145 L148R62-E142 HydrophobicContact CB-CB 4.17Å; R62-E142 PolarHBondContact O-N 3.27Å; K64-E142 HydrophobicContact CG-CG 3.65Å; E142-G144 PolarHBondContact O-N 3.08Å; E142-A145 WeakPolarHBondContact O-CB 3.48Å; E142-A145 PolarHBondContact O-N 3.05Å; E142-A145 VanDerWaalsContact O-N 3.15Å; E142-L148 WeakPolarHBondContact O-CD1 3.34Å
143E89.4Confident91.4Very high181 Ų18166.9 Ų66.985%0.84632%0.321SS*.THydrogen-bonded Turntrans-59.3137174.7-169170.1-170.100111
144G88.4Confident91.3Very high32 Ų3269.8 Ų69.833%0.3334%0.335SS..THydrogen-bonded Turntrans81.79-174.200000114.9R18 E142R18-G144 WeakPolarHBondContact CD-O 3.3Å; E142-G144 PolarHBondContact O-N 3.08Å
145A92.6Very high91.4Very high0 Ų064.6 Ų64.60%031%0.313CS..  trans-62.7151.4168.100000112.3H61 R62 F141 E142 L148 G149H61-A145 WeakPolarHBondContact O-CB 3.41Å; R62-A145 HydrophobicContact CB-CB 4.04Å; F141-A145 HydrophobicContact CB-CB 3.7Å; F141-A145 HydrophobicContact CD1-CB 3.87Å; F141-A145 HydrophobicContact CG-CB 4.08Å; E142-A145 WeakPolarHBondContact O-CB 3.48Å; E142-A145 PolarHBondContact O-N 3.05Å; E142-A145 VanDerWaalsContact O-N 3.15Å; A145-L148 HydrophobicContact CB-CB 4.38Å; A145-L148 HydrophobicContact CB-CD1 4.37Å; A145-L148 HydrophobicContact CB-CG 4.36Å; A145-L148 PolarHBondContact O-N 3.18Å; A145-G149 PolarHBondContact O-N 3.35Å
146I93.5Very high91.4Very high3 Ų356.6 Ų56.62%0.01528%0.279CS..SBendtrans-60.2-47.5176-66.1169.8000110.3R18 L21 L22 I58 H61 L148 G149R18-I146 HydrophobicContact CB-CG1 3.93Å; R18-I146 HydrophobicContact CG-CD1 4.42Å; R18-I146 HydrophobicContact CG-CG1 3.58Å; L21-I146 HydrophobicContact CB-CD1 3.96Å; L21-I146 HydrophobicContact CD1-CD1 3.7Å; L21-I146 HydrophobicContact CG-CD1 4.5Å; L22-I146 HydrophobicContact CD1-CG2 4.2Å; L22-I146 HydrophobicContact CD2-CG2 3.86Å; L22-I146 HydrophobicContact CG-CG2 4.08Å; I58-I146 HydrophobicContact CG1-CD1 4.22Å; I58-I146 HydrophobicContact CG2-CB 4.46Å; I58-I146 HydrophobicContact CG2-CD1 4.44Å; I58-I146 HydrophobicContact CG2-CG2 3.96Å; H61-I146 HydrophobicContact CB-CD1 4.02Å; H61-I146 HydrophobicContact CB-CG1 4.34Å; H61-I146 PolarHBondContact ND1-N 3.37Å; I146-L148 PolarHBondContact O-N 2.91Å; I146-L148 VanDerWaalsContact O-N 3.16Å; I146-G149 PolarHBondContact O-N 3.08Å
147I93.6Very high91.5Very high6 Ų660 Ų603%0.03130%0.296CS..THydrogen-bonded Turntrans-62.8-22.5-177.6-53.7-58.3000112.6I58 L59 Y81 L131 T137 F141 L155I58-I147 HydrophobicContact CG2-CD1 4Å; L59-I147 HydrophobicContact CD2-CD1 3.94Å; Y81-I147 HydrophobicContact CE1-CG2 4.39Å; L131-I147 HydrophobicContact CD2-CB 4.48Å; L131-I147 HydrophobicContact CD2-CG2 3.54Å; L131-I147 WeakPolarHBondContact CD2-O 3.25Å; T137-I147 HydrophobicContact CG2-CB 4.48Å; T137-I147 HydrophobicContact CG2-CG2 3.5Å; T137-I147 VanDerWaalsContact CG2-CG2 3.5Å; F141-I147 HydrophobicContact CD2-CB 4.32Å; F141-I147 HydrophobicContact CD2-CG2 4.3Å; F141-I147 HydrophobicContact CE1-CB 4.41Å; F141-I147 HydrophobicContact CE1-CG1 4.04Å; F141-I147 HydrophobicContact CE2-CB 4.13Å; F141-I147 HydrophobicContact CE2-CG1 4.28Å; F141-I147 HydrophobicContact CE2-CG2 3.95Å; F141-I147 HydrophobicContact CZ-CB 4.17Å; F141-I147 HydrophobicContact CZ-CG1 3.84Å; F141-I147 HydrophobicContact CZ-CG2 4.34Å; I147-L155 HydrophobicContact CD1-CD2 4.03Å
148L92.7Very high91.6Very high43 Ų4361.4 Ų61.423%0.22531%0.305CS..THydrogen-bonded Turntrans-95.5-6.2174.7-68178.3000113.5F134 T137 R138 F141 E142 A145 I146F134-L148 HydrophobicContact CD2-CD2 4.34Å; F134-L148 HydrophobicContact CE2-CD2 3.83Å; F134-L148 HydrophobicContact CZ-CD2 4.37Å; T137-L148 HydrophobicContact CG2-CD2 3.69Å; T137-L148 HydrophobicContact CG2-CG 4.44Å; R138-L148 HydrophobicContact CB-CD2 4.38Å; F141-L148 HydrophobicContact CB-CD1 3.67Å; F141-L148 HydrophobicContact CB-CG 3.97Å; E142-L148 WeakPolarHBondContact O-CD1 3.34Å; A145-L148 HydrophobicContact CB-CB 4.38Å; A145-L148 HydrophobicContact CB-CD1 4.37Å; A145-L148 HydrophobicContact CB-CG 4.36Å; A145-L148 PolarHBondContact O-N 3.18Å; I146-L148 PolarHBondContact O-N 2.91Å; I146-L148 VanDerWaalsContact O-N 3.16Å
149G87.9Confident91.7Very high15 Ų1553.5 Ų53.516%0.15528%0.275CS..SBendtrans-80.6158.7-179.300000112.7A145 I146 E151 A152A145-G149 PolarHBondContact O-N 3.35Å; I146-G149 PolarHBondContact O-N 3.08Å; G149-E151 PolarHBondContact O-N 3.5Å; G149-A152 WeakPolarHBondContact O-CB 3.39Å; G149-A152 PolarHBondContact O-N 3.2Å
150E82.8Confident91.9Very high202 Ų20248.4 Ų48.494%0.94426%0.261SS*.THydrogen-bonded Turntrans-58.1-28.1173-64.1174.8-177.400112.2A152E150-A152 PolarHBondContact O-N 2.92Å
151E81.4Confident91.9Very high45 Ų4548.3 Ų48.321%0.2127%0.268CS..THydrogen-bonded Turntrans-75-7178.5-55.2177.3167.500113.3K19 L22 G149 G153 L154K19-E151 WeakPolarHBondContact CE-OE1 3.32Å; K19-E151 WeakPolarHBondContact CG-OE1 3.29Å; L22-E151 HydrophobicContact CD1-CB 3.38Å; L22-E151 HydrophobicContact CD1-CG 4.39Å; L22-E151 WeakPolarHBondContact CD1-OE2 3.42Å; G149-E151 PolarHBondContact O-N 3.5Å; E151-G153 VanDerWaalsContact C-N 3.26Å; E151-G153 PolarHBondContact O-N 3.37Å; E151-L154 HydrophobicContact CB-CD1 4.25Å; E151-L154 VanDerWaalsContact O-CB 3.31Å; E151-L154 WeakPolarHBondContact O-CB 3.33Å; E151-L154 PolarHBondContact O-N 3.48Å; E151-L154 VanDerWaalsContact O-N 3.1Å
152A88.7Confident92Very high6 Ų648.3 Ų48.35%0.0527%0.268CS..Hα-helixtrans-63.3-30.7-179.500000112.9L131 G149 E150 L154 L155 A156L131-A152 HydrophobicContact CD1-CB 4.07Å; L131-A152 WeakPolarHBondContact CD1-O 3.44Å; L131-A152 HydrophobicContact CD2-CB 3.75Å; G149-A152 WeakPolarHBondContact O-CB 3.39Å; G149-A152 PolarHBondContact O-N 3.2Å; E150-A152 PolarHBondContact O-N 2.92Å; A152-L154 VanDerWaalsContact C-N 3.29Å; A152-L154 PolarHBondContact O-N 3.42Å; A152-L155 VanDerWaalsContact O-CB 3.32Å; A152-L155 WeakPolarHBondContact O-CB 3.46Å; A152-L155 PolarHBondContact O-N 2.97Å; A152-A156 PolarHBondContact O-N 3.11Å
153G90.8Very high92.1Very high35 Ų3546.4 Ų46.436%0.36126%0.26SS..Hα-helixtrans-60.5-39.4173.500000112.3E151 L155 A156 D157E151-G153 VanDerWaalsContact C-N 3.26Å; E151-G153 PolarHBondContact O-N 3.37Å; G153-L155 PolarHBondContact O-N 3.46Å; G153-A156 WeakPolarHBondContact O-CB 3.45Å; G153-A156 PolarHBondContact O-N 2.66Å; G153-D157 PolarHBondContact O-N 3.11Å
154L91.7Very high92.4Very high104 Ų10442.7 Ų42.755%0.54525%0.25SS..Hα-helixtrans-62-31178.2-57.8173.4000112.2E151 A152 T158E151-L154 HydrophobicContact CB-CD1 4.25Å; E151-L154 VanDerWaalsContact O-CB 3.31Å; E151-L154 WeakPolarHBondContact O-CB 3.33Å; E151-L154 PolarHBondContact O-N 3.48Å; E151-L154 VanDerWaalsContact O-N 3.1Å; A152-L154 VanDerWaalsContact C-N 3.29Å; A152-L154 PolarHBondContact O-N 3.42Å; L154-T158 VanDerWaalsContact O-CB 3.26Å; L154-T158 WeakPolarHBondContact O-CB 3.4Å; L154-T158 PolarHBondContact O-N 2.77Å; L154-T158 PolarHBondContact O-OG1 3.41Å
155L94.7Very high92.6Very high2 Ų241.3 Ų41.31%0.0124%0.235CC..Hα-helixtrans-62.6-50.6173.2177.166.7000110.3L22 I58 V127 I147 A152 G153 D157 T158 L159L22-L155 HydrophobicContact CD2-CB 3.93Å; L22-L155 HydrophobicContact CD2-CD1 4.25Å; I58-L155 HydrophobicContact CD1-CD1 4.16Å; I58-L155 HydrophobicContact CG2-CD1 4.36Å; I58-L155 HydrophobicContact CG2-CD2 3.6Å; V127-L155 HydrophobicContact CG1-CD2 4.23Å; V127-L155 HydrophobicContact CG1-CG 4.49Å; I147-L155 HydrophobicContact CD1-CD2 4.03Å; A152-L155 VanDerWaalsContact O-CB 3.32Å; A152-L155 WeakPolarHBondContact O-CB 3.46Å; A152-L155 PolarHBondContact O-N 2.97Å; G153-L155 PolarHBondContact O-N 3.46Å; L155-D157 VanDerWaalsContact C-N 3.34Å; L155-D157 PolarHBondContact O-N 3.16Å; L155-T158 PolarHBondContact O-N 3.34Å; L155-L159 HydrophobicContact CD1-CD1 4.2Å; L155-L159 HydrophobicContact CD1-CG 4.41Å; L155-L159 HydrophobicContact CG-CD1 4.06Å; L155-L159 VanDerWaalsContact O-CG 3.22Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 2.85Å
156A94.4Very high92.5Very high4 Ų446.6 Ų46.63%0.03326%0.263CS..Hα-helixtrans-59.8-45179.400000111.6V127 S128 L131 A152 G153 T158 L159 I160V127-A156 HydrophobicContact CG1-CB 4.34Å; S128-A156 WeakPolarHBondContact OG-CB 3.42Å; L131-A156 HydrophobicContact CD1-CB 4.22Å; A152-A156 PolarHBondContact O-N 3.11Å; G153-A156 WeakPolarHBondContact O-CB 3.45Å; G153-A156 PolarHBondContact O-N 2.66Å; A156-T158 PolarHBondContact O-N 2.71Å; A156-L159 PolarHBondContact O-N 3.05Å; A156-I160 PolarHBondContact O-N 3.32Å
157D95.4Very high92.5Very high101 Ų10147.3 Ų47.354%0.5427%0.266SS..Hα-helixtrans-61.9-42.6178.1-64.4-24.8000111.9G153 L155 L159 I160G153-D157 PolarHBondContact O-N 3.11Å; L155-D157 VanDerWaalsContact C-N 3.34Å; L155-D157 PolarHBondContact O-N 3.16Å; D157-L159 VanDerWaalsContact C-N 3.29Å; D157-L159 PolarHBondContact O-N 3.01Å; D157-I160 WeakPolarHBondContact O-CB 3.44Å; D157-I160 PolarHBondContact O-N 2.83Å
158T95.9Very high92.2Very high32 Ų3250.8 Ų50.820%0.19629%0.291CS..Hα-helixtrans-60.4-41176.4-62.20000111.2R26 V29 L154 L155 A156 I160 G161R26-T158 HydrophobicContact CB-CG2 4.04Å; R26-T158 HydrophobicContact CG-CG2 4.18Å; V29-T158 HydrophobicContact CB-CG2 4.06Å; V29-T158 HydrophobicContact CG1-CG2 4.4Å; V29-T158 HydrophobicContact CG2-CG2 3.93Å; L154-T158 VanDerWaalsContact O-CB 3.26Å; L154-T158 WeakPolarHBondContact O-CB 3.4Å; L154-T158 PolarHBondContact O-N 2.77Å; L154-T158 PolarHBondContact O-OG1 3.41Å; L155-T158 PolarHBondContact O-N 3.34Å; A156-T158 PolarHBondContact O-N 2.71Å; T158-I160 PolarHBondContact O-N 3.23Å; T158-G161 PolarHBondContact O-N 3.39Å
159L97.3Very high92Very high0 Ų049.3 Ų49.30%028%0.283CS..Hα-helixtrans-70.7-16.9-178.3-66.4171.2000113.5V29 F51 L55 L123 V127 L155 A156 D157 G161 L162V29-L159 HydrophobicContact CG2-CD2 4.41Å; F51-L159 HydrophobicContact CE2-CD2 3.92Å; F51-L159 HydrophobicContact CZ-CD2 3.71Å; L55-L159 HydrophobicContact CD1-CD1 4.33Å; L123-L159 HydrophobicContact CD2-CD1 4.43Å; L123-L159 HydrophobicContact CD2-CD2 3.9Å; L123-L159 HydrophobicContact CG-CD1 4.31Å; V127-L159 HydrophobicContact CB-CD1 4.16Å; V127-L159 HydrophobicContact CG1-CD1 4.19Å; V127-L159 HydrophobicContact CG2-CD1 3.82Å; L155-L159 HydrophobicContact CD1-CD1 4.2Å; L155-L159 HydrophobicContact CD1-CG 4.41Å; L155-L159 HydrophobicContact CG-CD1 4.06Å; L155-L159 VanDerWaalsContact O-CG 3.22Å; L155-L159 WeakPolarHBondContact O-CG 3.45Å; L155-L159 PolarHBondContact O-N 2.85Å; A156-L159 PolarHBondContact O-N 3.05Å; D157-L159 VanDerWaalsContact C-N 3.29Å; D157-L159 PolarHBondContact O-N 3.01Å; L159-G161 PolarHBondContact O-N 2.9Å; L159-L162 HydrophobicContact CD2-CD1 3.68Å; L159-L162 WeakPolarHBondContact O-CB 3.25Å; L159-L162 PolarHBondContact O-N 2.67Å
160I96.8Very high91.6Very high88 Ų8853.5 Ų53.545%0.45131%0.309SS..Hα-helixtrans-59.5-36.4176.8-65.3172.1000110.9A156 D157 T158 L162 N163A156-I160 PolarHBondContact O-N 3.32Å; D157-I160 WeakPolarHBondContact O-CB 3.44Å; D157-I160 PolarHBondContact O-N 2.83Å; T158-I160 PolarHBondContact O-N 3.23Å; I160-L162 PolarHBondContact O-N 2.79Å; I160-N163 VanDerWaalsContact O-CB 3.32Å; I160-N163 WeakPolarHBondContact O-CB 3.48Å; I160-N163 PolarHBondContact O-N 3.1Å
161G94.6Very high91.2Very high24 Ų2446.7 Ų46.725%0.24728%0.279CS..G310 helixtrans-55.1-35.9179.100000112.6L33 T158 L159 N163 T164L33-G161 WeakPolarHBondContact CD2-O 3.45Å; T158-G161 PolarHBondContact O-N 3.39Å; L159-G161 PolarHBondContact O-N 2.9Å; G161-N163 PolarHBondContact O-N 3.39Å; G161-N163 VanDerWaalsContact O-N 3.09Å; G161-T164 PolarHBondContact O-N 2.78Å; G161-T164 VanDerWaalsContact O-N 3.15Å; G161-T164 PolarHBondContact O-OG1 2.67Å
162L96.4Very high90.4Very high1 Ų152 Ų521%0.00530%0.301CS..G310 helixtrans-64.3-18.6-178.8-60173.4000113.6V29 L32 F51 L118 L123 L159 I160 T164 I165 F167V29-L162 HydrophobicContact CB-CD2 4.34Å; V29-L162 HydrophobicContact CG1-CD2 3.83Å; V29-L162 HydrophobicContact CG1-CG 4.01Å; V29-L162 HydrophobicContact CG2-CD1 4.07Å; V29-L162 HydrophobicContact CG2-CD2 4.12Å; V29-L162 HydrophobicContact CG2-CG 4.14Å; L32-L162 HydrophobicContact CB-CD2 4.28Å; L32-L162 HydrophobicContact CD1-CD2 3.93Å; F51-L162 HydrophobicContact CE1-CD1 3.94Å; F51-L162 HydrophobicContact CE2-CD1 3.79Å; F51-L162 HydrophobicContact CZ-CD1 3.31Å; L118-L162 HydrophobicContact CD2-CB 4.21Å; L118-L162 HydrophobicContact CD2-CD1 3.93Å; L123-L162 HydrophobicContact CD2-CD1 4.1Å; L159-L162 HydrophobicContact CD2-CD1 3.68Å; L159-L162 WeakPolarHBondContact O-CB 3.25Å; L159-L162 PolarHBondContact O-N 2.67Å; I160-L162 PolarHBondContact O-N 2.79Å; L162-T164 PolarHBondContact O-N 3.22Å; L162-I165 HydrophobicContact CD2-CD1 3.82Å; L162-I165 PolarHBondContact O-N 3.31Å; L162-I165 VanDerWaalsContact O-N 3.12Å; L162-F167 HydrophobicContact CB-CE2 4.44Å; L162-F167 HydrophobicContact CD2-CZ 4.34Å
163N95.9Very high88.9Confident50 Ų5052.5 Ų52.527%0.26731%0.307SS..G310 helixtrans-65.4-19.2177.4-64.5-2.2000112.4K121 S124 I160 G161 I165K121-N163 HydrophobicContact CB-CB 4.34Å; K121-N163 VanDerWaalsContact CD-O 3.25Å; K121-N163 WeakPolarHBondContact CD-O 3.47Å; K121-N163 PolarHBondContact O-OD1 3.46Å; S124-N163 PolarHBondContact OG-ND2 3.07Å; S124-N163 PolarHBondContact OG-OD1 3.41Å; I160-N163 VanDerWaalsContact O-CB 3.32Å; I160-N163 WeakPolarHBondContact O-CB 3.48Å; I160-N163 PolarHBondContact O-N 3.1Å; G161-N163 PolarHBondContact O-N 3.39Å; G161-N163 VanDerWaalsContact O-N 3.09Å; N163-I165 VanDerWaalsContact C-N 3.32Å
164T93.9Very high87.3Confident104 Ų10458.6 Ų58.664%0.63833%0.326SS*.G310 helixtrans-83.7-9.1177.268.20000113.1L33 G161 L162L33-T164 WeakPolarHBondContact CD2-OG1 3.41Å; G161-T164 PolarHBondContact O-N 2.78Å; G161-T164 VanDerWaalsContact O-N 3.15Å; G161-T164 PolarHBondContact O-OG1 2.67Å; L162-T164 PolarHBondContact O-N 3.22Å
165I93.9Very high85.9Confident2 Ų255.7 Ų55.71%0.0132%0.321CS..SBendtrans-92.2136-178-55.1179.7000109.2L32 L33 I41 K121 L162 N163 F167L32-I165 HydrophobicContact CB-CD1 3.94Å; L33-I165 HydrophobicContact CD2-CD1 3.83Å; L33-I165 HydrophobicContact CD2-CG1 3.78Å; L33-I165 HydrophobicContact CG-CD1 4.13Å; I41-I165 HydrophobicContact CG1-CG2 4.15Å; K121-I165 WeakPolarHBondContact CE-O 3.47Å; L162-I165 HydrophobicContact CD2-CD1 3.82Å; L162-I165 PolarHBondContact O-N 3.31Å; L162-I165 VanDerWaalsContact O-N 3.12Å; N163-I165 VanDerWaalsContact C-N 3.32Å; I165-F167 HydrophobicContact CB-CD2 4.26Å; I165-F167 HydrophobicContact CB-CE1 4.5Å; I165-F167 HydrophobicContact CB-CE2 3.68Å; I165-F167 HydrophobicContact CB-CZ 3.84Å; I165-F167 HydrophobicContact CD1-CZ 4Å; I165-F167 HydrophobicContact CG2-CD1 4.09Å; I165-F167 HydrophobicContact CG2-CD2 4.11Å; I165-F167 HydrophobicContact CG2-CE1 3.77Å; I165-F167 HydrophobicContact CG2-CE2 3.78Å; I165-F167 HydrophobicContact CG2-CG 4.28Å; I165-F167 HydrophobicContact CG2-CZ 3.61Å
166D90.6Very high84.5Confident111 Ų11155.8 Ų55.859%0.59432%0.322SS*.  trans-91.5104.7170.4-69.3-39.7000109.7K121K121-D166 WeakPolarHBondContact CE-OD1 3.46Å; K121-D166 IonicContact NZ-OD1 2.85Å; K121-D166 PolarHBondContact NZ-OD1 3.5Å
167F92.5Very high83Confident18 Ų1859.6 Ų59.68%0.07934%0.342CS..BIsolated β-bridgetrans-91.1140.1176.7-66.2-74.9000111.4I41 F48 L118 M119 L162 I165 F169I41-F167 HydrophobicContact CB-CD1 3.95Å; I41-F167 HydrophobicContact CB-CE1 4Å; I41-F167 HydrophobicContact CG1-CE1 4.47Å; I41-F167 HydrophobicContact CG2-CD1 4.06Å; I41-F167 HydrophobicContact CG2-CE1 3.92Å; F48-F167 HydrophobicContact CD2-CE1 4.37Å; L118-F167 HydrophobicContact CB-CD2 3.86Å; L118-F167 HydrophobicContact CB-CE2 4.15Å; L118-F167 HydrophobicContact CB-CG 4.32Å; L118-F167 HydrophobicContact CD2-CD2 4.41Å; L118-F167 HydrophobicContact CD2-CE2 3.84Å; L118-F167 HydrophobicContact CD2-CZ 4.27Å; L118-F167 HydrophobicContact CG-CE2 4.46Å; M119-F167 HydrophobicContact CG-CB 4.18Å; L162-F167 HydrophobicContact CB-CE2 4.44Å; L162-F167 HydrophobicContact CD2-CZ 4.34Å; I165-F167 HydrophobicContact CB-CD2 4.26Å; I165-F167 HydrophobicContact CB-CE1 4.5Å; I165-F167 HydrophobicContact CB-CE2 3.68Å; I165-F167 HydrophobicContact CB-CZ 3.84Å; I165-F167 HydrophobicContact CD1-CZ 4Å; I165-F167 HydrophobicContact CG2-CD1 4.09Å; I165-F167 HydrophobicContact CG2-CD2 4.11Å; I165-F167 HydrophobicContact CG2-CE1 3.77Å; I165-F167 HydrophobicContact CG2-CE2 3.78Å; I165-F167 HydrophobicContact CG2-CG 4.28Å; I165-F167 HydrophobicContact CG2-CZ 3.61Å; F167-F169 HydrophobicContact CB-CD2 4.18Å; F167-F169 HydrophobicContact CB-CE1 4.32Å; F167-F169 HydrophobicContact CB-CE2 3.56Å; F167-F169 HydrophobicContact CB-CZ 3.65Å; F167-F169 AromaticContact CD1-CE1 4Å; F167-F169 HydrophobicContact CD1-CE1 4Å; F167-F169 AromaticContact CD1-CE2 3.93Å; F167-F169 HydrophobicContact CD1-CE2 3.93Å; F167-F169 AromaticContact CD1-CZ 3.25Å; F167-F169 HydrophobicContact CD1-CZ 3.25Å; F167-F169 HydrophobicContact CE1-CZ 4.07Å; F167-F169 AromaticContact CG-CE2 3.85Å; F167-F169 HydrophobicContact CG-CE2 3.85Å; F167-F169 AromaticContact CG-CZ 3.67Å; F167-F169 HydrophobicContact CG-CZ 3.67Å
168S87.6Confident81.5Confident79 Ų7959.5 Ų59.555%0.55234%0.341SS*.  trans-131.496.1175.8176.20000110.2
169F89.1Confident79.5Confident13 Ų1363.3 Ų63.36%0.05737%0.369CS..  trans-110.9142.9-176.7-53.4-49.6000113.2D43 F48 R115 L118 M119 F167D43-F169 HydrophobicContact CB-CD1 3.87Å; F48-F169 HydrophobicContact CD1-CE1 4.01Å; F48-F169 HydrophobicContact CD1-CZ 4.31Å; F48-F169 HydrophobicContact CD2-CE1 4.14Å; F48-F169 AromaticContact CD2-CZ 3.75Å; F48-F169 HydrophobicContact CD2-CZ 3.75Å; F48-F169 HydrophobicContact CE1-CD1 4.37Å; F48-F169 AromaticContact CE1-CE1 3.78Å; F48-F169 HydrophobicContact CE1-CE1 3.78Å; F48-F169 AromaticContact CE1-CZ 3.87Å; F48-F169 HydrophobicContact CE1-CZ 3.87Å; F48-F169 AromaticContact CE2-CE1 3.93Å; F48-F169 HydrophobicContact CE2-CE1 3.93Å; F48-F169 AromaticContact CE2-CE2 3.92Å; F48-F169 HydrophobicContact CE2-CE2 3.92Å; F48-F169 AromaticContact CE2-CZ 3.25Å; F48-F169 HydrophobicContact CE2-CZ 3.25Å; F48-F169 HydrophobicContact CG-CE1 4.18Å; F48-F169 HydrophobicContact CG-CZ 4.25Å; F48-F169 HydrophobicContact CZ-CD1 4.48Å; F48-F169 AromaticContact CZ-CE1 3.73Å; F48-F169 HydrophobicContact CZ-CE1 3.73Å; F48-F169 AromaticContact CZ-CE2 3.77Å; F48-F169 HydrophobicContact CZ-CE2 3.77Å; F48-F169 AromaticContact CZ-CZ 3.3Å; F48-F169 HydrophobicContact CZ-CZ 3.3Å; R115-F169 HydrophobicContact CB-CB 4.43Å; R115-F169 HydrophobicContact CB-CD2 3.68Å; R115-F169 HydrophobicContact CB-CE2 4.29Å; R115-F169 HydrophobicContact CB-CG 4.33Å; R115-F169 HydrophobicContact CG-CD2 3.86Å; R115-F169 HydrophobicContact CG-CE2 4.28Å; R115-F169 HydrophobicContact CG-CG 4.22Å; L118-F169 HydrophobicContact CB-CE2 4.09Å; L118-F169 HydrophobicContact CD1-CE2 4.28Å; M119-F169 HydrophobicContact CG-CD2 3.65Å; M119-F169 HydrophobicContact CG-CE2 4.26Å; M119-F169 HydrophobicContact CG-CG 4.41Å; M119-F169 HydrophobicContact SD-CB 3.78Å; M119-F169 HydrophobicContact SD-CD2 3.88Å; M119-F169 HydrophobicContact SD-CG 4.23Å; F167-F169 HydrophobicContact CB-CD2 4.18Å; F167-F169 HydrophobicContact CB-CE1 4.32Å; F167-F169 HydrophobicContact CB-CE2 3.56Å; F167-F169 HydrophobicContact CB-CZ 3.65Å; F167-F169 AromaticContact CD1-CE1 4Å; F167-F169 HydrophobicContact CD1-CE1 4Å; F167-F169 AromaticContact CD1-CE2 3.93Å; F167-F169 HydrophobicContact CD1-CE2 3.93Å; F167-F169 AromaticContact CD1-CZ 3.25Å; F167-F169 HydrophobicContact CD1-CZ 3.25Å; F167-F169 HydrophobicContact CE1-CZ 4.07Å; F167-F169 AromaticContact CG-CE2 3.85Å; F167-F169 HydrophobicContact CG-CE2 3.85Å; F167-F169 AromaticContact CG-CZ 3.67Å; F167-F169 HydrophobicContact CG-CZ 3.67Å
170C79.7Confident77.5Confident102 Ų10267.5 Ų67.569%0.68940%0.397SS*.  trans-99.1108171.2-70.20000109.4K172C170-K172 PolarHBondContact O-N 3.16Å
171L74Confident75.9Confident60 Ų6067.8 Ų67.831%0.31441%0.405SS..  trans-75.968.7176.4-62.7169.4000111.1M100 A112 R115 V116M100-L171 HydrophobicContact CE-CB 4.06Å; M100-L171 HydrophobicContact CE-CD1 4.11Å; A112-L171 HydrophobicContact CB-CD2 4.44Å; R115-L171 HydrophobicContact CB-CD2 3.91Å; V116-L171 HydrophobicContact CG2-CD1 3.65Å
172K65.4Low74.6Confident155 Ų15567 Ų6767%0.67440%0.397SS*.  trans-94.8124.6172-155.6174.6-178.9-172.30108.3C170 E174C170-K172 PolarHBondContact O-N 3.16Å; K172-E174 PolarHBondContact O-N 3.04Å
173G56.5Low73.8Confident17 Ų1772.8 Ų72.818%0.17543%0.431CS..G310 helixtrans-57.7-19.5-165.500000116.9G175 L176G173-G175 PolarHBondContact O-N 3.09Å; G173-L176 PolarHBondContact O-N 3.41Å
174E57.9Low73.4Confident163 Ų16371.2 Ų71.276%0.76242%0.423SS*.G310 helixtrans-63.3-39.4-176.5-92.1174.2141.500114.3K172 L176K172-E174 PolarHBondContact O-N 3.04Å; E174-L176 PolarHBondContact O-N 2.94Å
175G61Low73Confident44 Ų4470 Ų7045%0.45441%0.413SS..G310 helixtrans-85.2-3.9-175.900000115.2G173G173-G175 PolarHBondContact O-N 3.09Å
176L64.9Low72.6Confident3 Ų374.3 Ų74.32%0.01643%0.429CS..THydrogen-bonded Turntrans-96.5-24.1-174-65.7171.5000113V103 A108 R111 A112 R115 G173 E174V103-L176 HydrophobicContact CG1-CD1 4.48Å; V103-L176 HydrophobicContact CG2-CD1 3.73Å; A108-L176 VanDerWaalsContact CA-O 3.3Å; A108-L176 WeakPolarHBondContact CA-O 3.46Å; A108-L176 HydrophobicContact CB-CB 3.96Å; A108-L176 VanDerWaalsContact CB-O 3.27Å; A108-L176 WeakPolarHBondContact CB-O 3.49Å; R111-L176 HydrophobicContact CB-CD2 3.81Å; A112-L176 HydrophobicContact CB-CD1 3.98Å; R115-L176 VanDerWaalsContact NH1-CD2 3.32Å; G173-L176 PolarHBondContact O-N 3.41Å; E174-L176 PolarHBondContact O-N 2.94Å
177D63.9Low72.2Confident85 Ų8573.1 Ų73.146%0.45543%0.426SS..  trans-100.412.7-172.4-152.929.6000114.2S105 A108 S179S105-D177 WeakPolarHBondContact CB-OD1 3.39Å; S105-D177 PolarHBondContact OG-OD1 3.07Å; A108-D177 HydrophobicContact CB-CB 4.29Å; D177-S179 PolarHBondContact O-N 3.05Å
178D63Low71.7Confident98 Ų9876.2 Ų76.252%0.52445%0.448SS..  trans-48.7109.9173.3-79.8-22.4000109.5C180D178-C180 PolarHBondContact O-N 3.44Å
179S55.3Low71.5Confident113 Ų11373.3 Ų73.379%0.7943%0.425SS*.  trans-68.3-7.9-172.857.50000112.8D177D177-S179 PolarHBondContact O-N 3.05Å
180C54.7Low70.9Confident87 Ų8777.6 Ų77.659%0.58845%0.448SS*.SBendtrans-79.1142.7178.3-102.30000112.3D178D178-C180 PolarHBondContact O-N 3.44Å
181P62.8Low70Confident94 Ų9480.3 Ų80.361%0.6145%0.448SS*.PPolyproline II helixtrans-56.1142.9170.2-18.929.9000110.8V183P181-V183 PolarHBondContact O-N 3.45Å; P181-V183 VanDerWaalsContact O-N 3.1Å
182A67.9Low69Low9 Ų984.6 Ų84.67%0.07446%0.464CS..PPolyproline II helixtrans-55.7116.6172.900000111E56 R57E56-A182 HydrophobicContact CG-CB 4.49Å; R57-A182 PolarHBondContact NH2-O 3.34Å
183V79.7Confident68.1Low121 Ų12183.1 Ų83.173%0.73347%0.469SS*.PPolyproline II helixtrans-93.2123.2176.2-178.20000108P181P181-V183 PolarHBondContact O-N 3.45Å; P181-V183 VanDerWaalsContact O-N 3.1Å
184I87.6Confident67.7Low17 Ų1786.9 Ų86.99%0.08748%0.481CS..PPolyproline II helixtrans-94.1124.7178.1-61.4170000108.2L21 V24 I54 R57 Y186L21-I184 HydrophobicContact CD2-CD1 4.02Å; V24-I184 HydrophobicContact CG1-CG2 4.41Å; I54-I184 HydrophobicContact CB-CD1 4.44Å; I54-I184 HydrophobicContact CD1-CG2 4.19Å; I54-I184 HydrophobicContact CG1-CB 4.39Å; I54-I184 HydrophobicContact CG1-CD1 4Å; I54-I184 HydrophobicContact CG1-CG1 3.94Å; I54-I184 HydrophobicContact CG1-CG2 3.6Å; R57-I184 HydrophobicContact CB-CD1 3.77Å; R57-I184 HydrophobicContact CG-CD1 3.92Å; I184-Y186 HydrophobicContact CB-CD2 4.37Å; I184-Y186 HydrophobicContact CB-CE2 3.81Å; I184-Y186 HydrophobicContact CG2-CD1 4.18Å; I184-Y186 HydrophobicContact CG2-CD2 4.03Å; I184-Y186 HydrophobicContact CG2-CE1 3.89Å; I184-Y186 HydrophobicContact CG2-CE2 3.74Å; I184-Y186 HydrophobicContact CG2-CG 4.25Å; I184-Y186 PolarHBondContact O-N 3.39Å
185D85.1Confident66.8Low80 Ų8082.9 Ų82.943%0.42847%0.471SS..  trans-85.2109.8167.4-175.615.7000109.9N50 T187N50-D185 PolarHBondContact ND2-O 2.83Å; N50-D185 PolarHBondContact OD1-N 3.27Å; D185-T187 WeakPolarHBondContact OD1-CB 3.46Å; D185-T187 PolarHBondContact OD1-N 3.24Å; D185-T187 PolarHBondContact OD1-OG1 3.48Å
186Y85.4Confident66Low92 Ų9284.3 Ų84.336%0.36148%0.479SS..  trans-85.3-16.1177.4-68.6-82.4000113.1L21 V24 I184 P188 Y189 L190L21-Y186 WeakPolarHBondContact CD2-OH 3.46Å; V24-Y186 HydrophobicContact CB-CE1 4.32Å; V24-Y186 HydrophobicContact CG1-CD1 4.16Å; V24-Y186 HydrophobicContact CG1-CE1 4.03Å; V24-Y186 HydrophobicContact CG2-CD1 3.76Å; V24-Y186 HydrophobicContact CG2-CE1 3.83Å; I184-Y186 HydrophobicContact CB-CD2 4.37Å; I184-Y186 HydrophobicContact CB-CE2 3.81Å; I184-Y186 HydrophobicContact CG2-CD1 4.18Å; I184-Y186 HydrophobicContact CG2-CD2 4.03Å; I184-Y186 HydrophobicContact CG2-CE1 3.89Å; I184-Y186 HydrophobicContact CG2-CE2 3.74Å; I184-Y186 HydrophobicContact CG2-CG 4.25Å; I184-Y186 PolarHBondContact O-N 3.39Å; Y186-P188 VanDerWaalsContact C-CD 3.46Å; Y186-Y189 WeakPolarHBondContact O-CA 3.34Å; Y186-Y189 PolarHBondContact O-N 3.22Å; Y186-L190 WeakPolarHBondContact O-CG 3.46Å; Y186-L190 PolarHBondContact O-N 3.45Å
187T82.8Confident65.2Low86 Ų8691.3 Ų91.353%0.52852%0.517SS..G310 helixtrans-47.7-48.1-174.6-48.20000113.8D185 Y189 L190D185-T187 WeakPolarHBondContact OD1-CB 3.46Å; D185-T187 PolarHBondContact OD1-N 3.24Å; D185-T187 PolarHBondContact OD1-OG1 3.48Å; T187-Y189 PolarHBondContact O-N 3.3Å; T187-Y189 VanDerWaalsContact O-N 3.14Å; T187-L190 PolarHBondContact O-N 3.03Å
188P81.1Confident64.3Low82 Ų8289.9 Ų89.953%0.53251%0.513SS..G310 helixtrans-67.2-14.6-179.926.2-35.6000114.3Y186Y186-P188 VanDerWaalsContact C-CD 3.46Å
189Y83.2Confident63.4Low19 Ų1989.5 Ų89.58%0.07551%0.511CS..G310 helixtrans-107.6-7.4-174.1-49.2-50.3000113.8V24 F27 S28 N50 I54 Y186 T187 K191V24-Y189 HydrophobicContact CB-CD2 4.47Å; V24-Y189 HydrophobicContact CG1-CD2 3.64Å; V24-Y189 HydrophobicContact CG1-CE2 3.87Å; V24-Y189 HydrophobicContact CG1-CG 4.49Å; V24-Y189 HydrophobicContact CG2-CD2 4.41Å; F27-Y189 HydrophobicContact CB-CD1 3.41Å; F27-Y189 VanDerWaalsContact CB-CD1 3.41Å; F27-Y189 HydrophobicContact CB-CE1 3.78Å; F27-Y189 HydrophobicContact CB-CG 4.11Å; F27-Y189 HydrophobicContact CD2-CD1 4.45Å; F27-Y189 HydrophobicContact CG-CD1 4.3Å; S28-Y189 VanDerWaalsContact CA-OH 3.32Å; S28-Y189 WeakPolarHBondContact CA-OH 3.15Å; S28-Y189 VanDerWaalsContact CB-OH 3.29Å; S28-Y189 WeakPolarHBondContact CB-OH 3.19Å; S28-Y189 PolarHBondContact OG-OH 3.21Å; N50-Y189 WeakPolarHBondContact ND2-CE2 3.37Å; N50-Y189 PolarHBondContact ND2-OH 3.22Å; I54-Y189 HydrophobicContact CD1-CE2 4.03Å; Y186-Y189 WeakPolarHBondContact O-CA 3.34Å; Y186-Y189 PolarHBondContact O-N 3.22Å; T187-Y189 PolarHBondContact O-N 3.3Å; T187-Y189 VanDerWaalsContact O-N 3.14Å; Y189-K191 PolarHBondContact O-N 3.5Å
190L77.6Confident62.7Low102 Ų10288.6 Ų88.653%0.53450%0.504SS..  trans-71.8101.2175.7-65.6177.7000109.1Y186 T187Y186-L190 WeakPolarHBondContact O-CG 3.46Å; Y186-L190 PolarHBondContact O-N 3.45Å; T187-L190 PolarHBondContact O-N 3.03Å
191K59.6Low62.4Low160 Ų16088 Ų8870%0.69650%0.501SS*.  trans-98.2119.2168.9-70-169.6177.4-1730109.3Y189 T193Y189-K191 PolarHBondContact O-N 3.5Å; K191-T193 PolarHBondContact O-N 2.88Å
192F52.9Low61.9Low149 Ų14987.9 Ų87.965%0.65450%0.495SS*.  trans-63.4118.4162.6-176.3-97.9000108.1Q194F192-Q194 HydrophobicContact CE1-CB 4.45Å
193T48.2Very low61.4Low125 Ų12593.6 Ų93.677%0.76752%0.52SS*.  trans-96.2104.717637.30000108.2K191 S195K191-T193 PolarHBondContact O-N 2.88Å; T193-S195 PolarHBondContact O-N 2.98Å
194Q47.4Very low60Low95 Ų9594.6 Ų94.644%0.44452%0.517SS..  trans-65.3121.9166.2-167.7170.429.100107.4F192 A196F192-Q194 HydrophobicContact CE1-CB 4.45Å; Q194-A196 PolarHBondContact O-N 3.49Å
195S39Very low58.3Low79 Ų7996.9 Ų96.955%0.55253%0.527SS*.  trans-56.613317939.30000110.5T193 D197 S198T193-S195 PolarHBondContact O-N 2.98Å; S195-D197 PolarHBondContact O-N 3.07Å; S195-S198 PolarHBondContact O-N 3.45Å
196A44.7Very low56.7Low75 Ų75100 Ų10062%0.6254%0.541SS*.G310 helixtrans-56-16.8-173.300000114.7Q194 S198 I199Q194-A196 PolarHBondContact O-N 3.49Å; A196-S198 PolarHBondContact O-N 2.94Å; A196-S198 VanDerWaalsContact O-N 3.11Å; A196-I199 PolarHBondContact O-N 3.28Å; A196-I199 VanDerWaalsContact O-N 3.14Å
197D48Very low55.3Low149 Ų149103.4 Ų103.480%0.79755%0.553SS**G310 helixtrans-61.4-14.2171.9-61.8-21.7000113.3S195S195-D197 PolarHBondContact O-N 3.07Å
198S44.6Very low53.7Low55 Ų55104.3 Ų104.339%0.38556%0.559SS.*G310 helixtrans-93.3-17.8175.1-57.70000114.8S195 A196S195-S198 PolarHBondContact O-N 3.45Å; A196-S198 PolarHBondContact O-N 2.94Å; A196-S198 VanDerWaalsContact O-N 3.11Å
199I43.7Very low52.2Low91 Ų91105.5 Ų105.547%0.46756%0.56SS.*THydrogen-bonded Turntrans-95.3-25.5-169.8-49.3173000111.9A196 S201 D202A196-I199 PolarHBondContact O-N 3.28Å; A196-I199 VanDerWaalsContact O-N 3.14Å; I199-S201 PolarHBondContact O-N 3.48Å; I199-S201 VanDerWaalsContact O-N 3.1Å; I199-D202 PolarHBondContact O-N 2.9Å
200S41.8Very low50.6Low93 Ų93108.1 Ų108.165%0.6559%0.593SS**Hα-helixtrans-62-20177.576.30000113.4
201S48.5Very low49.2Very low74 Ų74108 Ų10852%0.51760%0.601SS.*Hα-helixtrans-73.7-23.7174.9-171.70000113.7I199I199-S201 PolarHBondContact O-N 3.48Å; I199-S201 VanDerWaalsContact O-N 3.1Å
202D51.6Low48.7Very low93 Ų93106.4 Ų106.450%0.49761%0.609SS.*Hα-helixtrans-87-31.4-169.9-78.4-8.3000112.9I199 E205 M206I199-D202 PolarHBondContact O-N 2.9Å; D202-E205 PolarHBondContact O-N 2.61Å; D202-M206 PolarHBondContact O-N 3.07Å
203E56.1Low48.5Very low129 Ų129103.4 Ų103.460%0.60362%0.62SS**Hα-helixtrans-76.6-30.5-177.9-144.4-157.7-138.300112.2E205 R207E203-E205 VanDerWaalsContact C-N 3.33Å; E203-R207 PolarHBondContact O-NH1 2.91Å; E203-R207 IonicContact OE2-CZ 3.28Å; E203-R207 IonicContact OE2-NH2 3.47Å; E203-R207 PolarHBondContact OE2-NH2 2.89Å
204E51.9Low48.4Very low142 Ų142102.6 Ų102.666%0.66462%0.62SS**Hα-helixtrans-71.7-30.7172.8-152.9153.2-157.400111.3T208E204-T208 PolarHBondContact O-OG1 3.26Å; E204-T208 VanDerWaalsContact O-OG1 3.08Å
205E50.8Low48.1Very low65 Ų65106.9 Ų106.930%0.30464%0.64SS.*Hα-helixtrans-80-30.4178.2-154.5-179.9-178.900113.1D202 E203 R207 T208 L209 R241D202-E205 PolarHBondContact O-N 2.61Å; E203-E205 VanDerWaalsContact C-N 3.33Å; E205-R207 VanDerWaalsContact C-N 3.28Å; E205-R207 PolarHBondContact O-N 2.93Å; E205-T208 PolarHBondContact O-N 3.14Å; E205-T208 VanDerWaalsContact O-N 3.08Å; E205-L209 HydrophobicContact CG-CD1 4.24Å; E205-L209 VanDerWaalsContact O-CG 3.28Å; E205-L209 WeakPolarHBondContact O-CG 3.27Å; E205-L209 PolarHBondContact O-N 2.96Å; E205-L209 VanDerWaalsContact O-N 3.09Å; E205-R241 IonicContact OE1-CZ 2.67Å; E205-R241 IonicContact OE1-NE 3.48Å; E205-R241 IonicContact OE1-NH2 3.5Å; E205-R241 PolarHBondContact OE1-NH2 3.33Å; E205-R241 IonicContact OE2-CZ 2.78Å; E205-R241 IonicContact OE2-NH2 3.12Å; E205-R241 PolarHBondContact OE2-NH2 2.78Å
206M51.5Low48.1Very low146 Ų146108.1 Ų108.172%0.71965%0.649SS**Hα-helixtrans-65.5-30.7174.8-169.6175.2-72.200112.5D202 T208D202-M206 PolarHBondContact O-N 3.07Å; M206-T208 VanDerWaalsContact C-N 3.27Å; M206-T208 PolarHBondContact O-N 2.91Å
207R57.2Low48Very low162 Ų162110.2 Ų110.261%0.61166%0.659SS**Hα-helixtrans-70-24.1173-63.4-171.8-161.389.89.7112.7E203 E205E203-R207 PolarHBondContact O-NH1 2.91Å; E203-R207 IonicContact OE2-CZ 3.28Å; E203-R207 IonicContact OE2-NH2 3.47Å; E203-R207 PolarHBondContact OE2-NH2 2.89Å; E205-R207 VanDerWaalsContact C-N 3.28Å; E205-R207 PolarHBondContact O-N 2.93Å
208T49.3Very low47.5Very low105 Ų105109 Ų10964%0.64466%0.657SS**Hα-helixtrans-89.5-24.6179.9-26.80000112.8E204 E205 M206E204-T208 PolarHBondContact O-OG1 3.26Å; E204-T208 VanDerWaalsContact O-OG1 3.08Å; E205-T208 PolarHBondContact O-N 3.14Å; E205-T208 VanDerWaalsContact O-N 3.08Å; M206-T208 VanDerWaalsContact C-N 3.27Å; M206-T208 PolarHBondContact O-N 2.91Å
209L49.2Very low48Very low108 Ų108112.2 Ų112.257%0.56568%0.677SS**Hα-helixtrans-87-13.6-177.4-67.2170.6000114.5E205 S211E205-L209 HydrophobicContact CG-CD1 4.24Å; E205-L209 VanDerWaalsContact O-CG 3.28Å; E205-L209 WeakPolarHBondContact O-CG 3.27Å; E205-L209 PolarHBondContact O-N 2.96Å; E205-L209 VanDerWaalsContact O-N 3.09Å; L209-S211 VanDerWaalsContact C-N 3.27Å; L209-S211 PolarHBondContact O-N 3.49Å
210G48.7Very low48Very low74 Ų74115 Ų11576%0.76369%0.693SS**THydrogen-bonded Turntrans-77.6-5.6177.600000115.1
211S48Very low48.2Very low99 Ų99120.1 Ų120.169%0.69270%0.703SS**SBendtrans-118.460.8-169.3-162.60000113L209L209-S211 VanDerWaalsContact C-N 3.27Å; L209-S211 PolarHBondContact O-N 3.49Å
212S50.2Low48.4Very low126 Ų126122.8 Ų122.888%0.88172%0.716SS**  trans-177.2104149.4-89.60000110.8
213G47.5Very low48.5Very low86 Ų86121.6 Ų121.689%0.88772%0.72SS**  trans-169.726.7178.900000115.8
214S47.2Very low48.9Very low108 Ų108120 Ų12076%0.75572%0.719SS**  trans-142.4123.7156.956.50000104.1
215E40.8Very low49.4Very low185 Ų185116.9 Ų116.986%0.86472%0.717SS**  -154.4155.369.9-74.4178.114900112.2
216S38.3Very low49.9Very low106 Ų106116.8 Ų116.874%0.74173%0.728SS**  trans-46.3143.2174.847.20000115.3T218S216-T218 PolarHBondContact O-N 3.31Å
217S44.2Very low50.4Low118 Ų118112.5 Ų112.583%0.82571%0.712SS**  trans-41.8122.1166.450.60000115.3
218T36.1Very low50.9Low124 Ų124109.1 Ų109.176%0.76171%0.705SS**  trans-130.3134.1145.850.80000109.2S216 D220S216-T218 PolarHBondContact O-N 3.31Å; T218-D220 PolarHBondContact O-N 3.43Å
219P55.3Low51.7Low123 Ų123111 Ų11180%0.79970%0.704SS**  trans-9087.3-170.334.6-29.3000109.7
220D45.1Very low52.7Low150 Ų150109.8 Ų109.880%0.80270%0.702SS**  trans-176.4102.7159.2-98.5-28.7000109T218T218-D220 PolarHBondContact O-N 3.43Å
221K45.2Very low53.6Low200 Ų200112.5 Ų112.587%0.8769%0.694SS**  trans177119.2148.9-95.1149.5-167.8-179.30107.1A223K221-A223 PolarHBondContact O-N 2.95Å; K221-A223 VanDerWaalsContact O-N 3.12Å
222T51.9Low54.7Low129 Ų129113 Ų11379%0.79169%0.686SS**  trans-31.8115.6163.426.50000110.8T224T222-T224 PolarHBondContact O-N 3.32Å; T222-T224 PolarHBondContact O-OG1 3.46Å
223A54.9Low55.5Low69 Ų69110.1 Ų110.157%0.5767%0.666SS**  trans-52.1105.9172.400000107.6K221 I228K221-A223 PolarHBondContact O-N 2.95Å; K221-A223 VanDerWaalsContact O-N 3.12Å; A223-I228 HydrophobicContact CB-CD1 3.96Å; A223-I228 HydrophobicContact CB-CG1 4.04Å
224T64Low56.7Low96 Ų96110.4 Ų110.459%0.58965%0.647SS**  trans-72.1145.5-174-31.40000106.8T222 A226 S227 I228T222-T224 PolarHBondContact O-N 3.32Å; T222-T224 PolarHBondContact O-OG1 3.46Å; T224-A226 CarbonylContact O-C 3.6Å; T224-A226 PolarHBondContact O-N 3.4Å; T224-S227 PolarHBondContact N-OG 3.3Å; T224-S227 PolarHBondContact O-N 2.94Å; T224-S227 PolarHBondContact O-OG 2.95Å; T224-I228 PolarHBondContact O-N 2.82Å
225A62.1Low57.8Low75 Ų75110.3 Ų110.362%0.6264%0.637SS**Hα-helixtrans-50.1-30.8-179.600000112.7F229A225-F229 WeakPolarHBondContact O-CB 3.5Å; A225-F229 PolarHBondContact O-N 2.9Å
226A60.9Low59.4Low64 Ų64105 Ų10553%0.52962%0.617SS.*Hα-helixtrans-64.7-41.417300000114.7T224 F229 T230T224-A226 CarbonylContact O-C 3.6Å; T224-A226 PolarHBondContact O-N 3.4Å; A226-F229 PolarHBondContact O-N 2.92Å; A226-T230 WeakPolarHBondContact O-CB 3.49Å; A226-T230 PolarHBondContact O-N 3.5Å; A226-T230 PolarHBondContact O-OG1 3.3Å
227S62.4Low61Low56 Ų56102.9 Ų102.939%0.39260%0.603SS.*Hα-helixtrans-68.7-39.4178.564.10000111.1T224 T230 E231T224-S227 PolarHBondContact N-OG 3.3Å; T224-S227 PolarHBondContact O-N 2.94Å; T224-S227 PolarHBondContact O-OG 2.95Å; S227-T230 PolarHBondContact O-N 2.95Å; S227-E231 WeakPolarHBondContact O-CB 3.47Å; S227-E231 PolarHBondContact O-N 3.32Å
228I67.9Low62.2Low90 Ų90103.3 Ų103.346%0.46259%0.59SS.*Hα-helixtrans-65.2-42.4174.9-59.8172.8000110.6A223 T224 T230 E231 Q232A223-I228 HydrophobicContact CB-CD1 3.96Å; A223-I228 HydrophobicContact CB-CG1 4.04Å; T224-I228 PolarHBondContact O-N 2.82Å; I228-T230 VanDerWaalsContact C-N 3.33Å; I228-T230 PolarHBondContact O-N 2.92Å; I228-E231 PolarHBondContact O-N 3.23Å; I228-Q232 VanDerWaalsContact O-CB 3.25Å; I228-Q232 WeakPolarHBondContact O-CB 3.45Å; I228-Q232 PolarHBondContact O-N 3.35Å
229F66.5Low64Low145 Ų145101.4 Ų101.464%0.63658%0.58SS**Hα-helixtrans-63.2-38.4175.4-117.5-89.3000112.7A225 A226 S233A225-F229 WeakPolarHBondContact O-CB 3.5Å; A225-F229 PolarHBondContact O-N 2.9Å; A226-F229 PolarHBondContact O-N 2.92Å; F229-S233 WeakPolarHBondContact O-CB 3.41Å; F229-S233 PolarHBondContact O-N 3.48Å
230T68.9Low64.8Low83 Ų83102 Ų10251%0.50957%0.571SS.*Hα-helixtrans-70.3-41179.4-48.70000110.8A226 S227 I228 S233 N234A226-T230 WeakPolarHBondContact O-CB 3.49Å; A226-T230 PolarHBondContact O-N 3.5Å; A226-T230 PolarHBondContact O-OG1 3.3Å; S227-T230 PolarHBondContact O-N 2.95Å; I228-T230 VanDerWaalsContact C-N 3.33Å; I228-T230 PolarHBondContact O-N 2.92Å; T230-S233 PolarHBondContact O-N 2.83Å; T230-N234 WeakPolarHBondContact O-CB 3.27Å; T230-N234 VanDerWaalsContact O-CG 3.32Å; T230-N234 PolarHBondContact O-N 2.87Å; T230-N234 PolarHBondContact O-ND2 2.94Å
231E68.1Low65.8Low130 Ų13099.4 Ų99.461%0.60755%0.549SS*.Hα-helixtrans-67.7-38.8175.4-165164.7-161.900112S227 I228 N234 L235S227-E231 WeakPolarHBondContact O-CB 3.47Å; S227-E231 PolarHBondContact O-N 3.32Å; I228-E231 PolarHBondContact O-N 3.23Å; E231-N234 PolarHBondContact O-N 2.91Å; E231-L235 VanDerWaalsContact O-CG 3.32Å; E231-L235 WeakPolarHBondContact O-CG 3.4Å; E231-L235 PolarHBondContact O-N 3.33Å
232Q70.8Confident67Low109 Ų10996.7 Ų96.751%0.50954%0.538SS..Hα-helixtrans-64.1-42.6172.9-171.4174.359.200111.9I228 N234 L235 V236I228-Q232 VanDerWaalsContact O-CB 3.25Å; I228-Q232 WeakPolarHBondContact O-CB 3.45Å; I228-Q232 PolarHBondContact O-N 3.35Å; Q232-N234 PolarHBondContact O-N 3.46Å; Q232-L235 PolarHBondContact O-N 3.43Å; Q232-V236 VanDerWaalsContact O-CG2 3.3Å; Q232-V236 WeakPolarHBondContact O-CG2 3.3Å; Q232-V236 PolarHBondContact O-N 3.42Å
233S68.1Low67.9Low66 Ų6696.1 Ų96.146%0.46253%0.526SS..Hα-helixtrans-60.3-43.4173.3177.60000111.8F229 T230 L235 V236 S237F229-S233 WeakPolarHBondContact O-CB 3.41Å; F229-S233 PolarHBondContact O-N 3.48Å; T230-S233 PolarHBondContact O-N 2.83Å; S233-L235 PolarHBondContact O-N 3.12Å; S233-V236 PolarHBondContact O-N 3.49Å; S233-S237 PolarHBondContact O-N 2.99Å; S233-S237 PolarHBondContact O-OG 3.06Å; S233-S237 VanDerWaalsContact O-OG 3.07Å
234N72.1Confident68.5Low92 Ų9296.8 Ų96.849%0.49252%0.518SS..Hα-helixtrans-64.1-39.3176.2-76.8-30.5000113T230 E231 Q232 S237 K238T230-N234 WeakPolarHBondContact O-CB 3.27Å; T230-N234 VanDerWaalsContact O-CG 3.32Å; T230-N234 PolarHBondContact O-N 2.87Å; T230-N234 PolarHBondContact O-ND2 2.94Å; E231-N234 PolarHBondContact O-N 2.91Å; Q232-N234 PolarHBondContact O-N 3.46Å; N234-S237 PolarHBondContact O-N 3.49Å; N234-K238 WeakPolarHBondContact O-CB 3.38Å; N234-K238 WeakPolarHBondContact O-CG 3.41Å; N234-K238 PolarHBondContact O-N 3.1Å
235L70.4Confident68.7Low106 Ų10698 Ų9856%0.55552%0.515SS*.Hα-helixtrans-66.2-40.5174.7-72.6170.3000111.6E231 Q232 S233 K238 C239E231-L235 VanDerWaalsContact O-CG 3.32Å; E231-L235 WeakPolarHBondContact O-CG 3.4Å; E231-L235 PolarHBondContact O-N 3.33Å; Q232-L235 PolarHBondContact O-N 3.43Å; S233-L235 PolarHBondContact O-N 3.12Å; L235-K238 PolarHBondContact O-N 3.24Å; L235-C239 VanDerWaalsContact O-CB 3.29Å; L235-C239 WeakPolarHBondContact O-CB 3.46Å; L235-C239 PolarHBondContact O-N 2.92Å
236V74.9Confident69.1Low73 Ų73102.5 Ų102.544%0.44252%0.517SS..Hα-helixtrans-62.3-43.2174.4169.60000110.9Q232 S233 C239 K240Q232-V236 VanDerWaalsContact O-CG2 3.3Å; Q232-V236 WeakPolarHBondContact O-CG2 3.3Å; Q232-V236 PolarHBondContact O-N 3.42Å; S233-V236 PolarHBondContact O-N 3.49Å; V236-C239 PolarHBondContact O-N 3.02Å; V236-K240 HydrophobicContact CG1-CD 4.49Å; V236-K240 WeakPolarHBondContact O-CG 3.38Å; V236-K240 PolarHBondContact O-N 3.43Å
237S71.1Confident69.7Low62 Ų62104.4 Ų104.443%0.43451%0.511SS..Hα-helixtrans-65-42176.3-60.20000112.3S233 N234 C239 K240 R241S233-S237 PolarHBondContact O-N 2.99Å; S233-S237 PolarHBondContact O-OG 3.06Å; S233-S237 VanDerWaalsContact O-OG 3.07Å; N234-S237 PolarHBondContact O-N 3.49Å; S237-C239 VanDerWaalsContact C-N 3.34Å; S237-C239 PolarHBondContact O-N 2.97Å; S237-K240 PolarHBondContact O-N 3.28Å; S237-R241 WeakPolarHBondContact O-CB 3.42Å; S237-R241 PolarHBondContact O-N 3.48Å
238K70.4Confident69.9Low127 Ų127104.3 Ų104.355%0.55251%0.505SS*.Hα-helixtrans-61.1-42.5171.4-79.8179.2179.5175.10111.7N234 L235 R241 F242N234-K238 WeakPolarHBondContact O-CB 3.38Å; N234-K238 WeakPolarHBondContact O-CG 3.41Å; N234-K238 PolarHBondContact O-N 3.1Å; L235-K238 PolarHBondContact O-N 3.24Å; K238-R241 WeakPolarHBondContact O-CB 3.43Å; K238-R241 PolarHBondContact O-N 2.86Å; K238-F242 WeakPolarHBondContact O-CD2 3.15Å; K238-F242 PolarHBondContact O-N 3.21Å
239C73.4Confident70.1Confident84 Ų84102.3 Ų102.357%0.56850%0.501SS*.Hα-helixtrans-63.2-46.6179.3-156.30000111L235 V236 S237 R241 F242 E243L235-C239 VanDerWaalsContact O-CB 3.29Å; L235-C239 WeakPolarHBondContact O-CB 3.46Å; L235-C239 PolarHBondContact O-N 2.92Å; V236-C239 PolarHBondContact O-N 3.02Å; S237-C239 VanDerWaalsContact C-N 3.34Å; S237-C239 PolarHBondContact O-N 2.97Å; C239-R241 VanDerWaalsContact C-N 3.28Å; C239-R241 PolarHBondContact O-N 3.33Å; C239-F242 PolarHBondContact O-N 3.46Å; C239-F242 VanDerWaalsContact O-N 3.17Å; C239-E243 WeakPolarHBondContact O-CB 3.43Å; C239-E243 PolarHBondContact O-N 2.9Å
240K70.7Confident70.4Confident137 Ų137100 Ų10060%0.59650%0.495SS*.Hα-helixtrans-58-38.9172.5-74.2-178.5177.4-176.40112.5V236 S237 E243 Q244V236-K240 HydrophobicContact CG1-CD 4.49Å; V236-K240 WeakPolarHBondContact O-CG 3.38Å; V236-K240 PolarHBondContact O-N 3.43Å; S237-K240 PolarHBondContact O-N 3.28Å; K240-E243 PolarHBondContact O-N 3.17Å; K240-Q244 WeakPolarHBondContact O-CB 3.21Å; K240-Q244 PolarHBondContact O-N 3.43Å
241R66.7Low70.8Confident94 Ų94101.6 Ų101.636%0.35550%0.497SS..Hα-helixtrans-68.3-38.8177.1-170.5179.9-98.3-179.4-20.1112.2E205 S237 K238 C239 K245E205-R241 IonicContact OE1-CZ 2.67Å; E205-R241 IonicContact OE1-NE 3.48Å; E205-R241 IonicContact OE1-NH2 3.5Å; E205-R241 PolarHBondContact OE1-NH2 3.33Å; E205-R241 IonicContact OE2-CZ 2.78Å; E205-R241 IonicContact OE2-NH2 3.12Å; E205-R241 PolarHBondContact OE2-NH2 2.78Å; S237-R241 WeakPolarHBondContact O-CB 3.42Å; S237-R241 PolarHBondContact O-N 3.48Å; K238-R241 WeakPolarHBondContact O-CB 3.43Å; K238-R241 PolarHBondContact O-N 2.86Å; C239-R241 VanDerWaalsContact C-N 3.28Å; C239-R241 PolarHBondContact O-N 3.33Å; R241-K245 WeakPolarHBondContact O-CG 3.3Å; R241-K245 PolarHBondContact O-N 2.85Å
242F71.1Confident71Confident143 Ų143100.7 Ų100.763%0.62749%0.492SS*.Hα-helixtrans-67-41.8172.4-82.8-66.6000112K238 C239 Q244 K245 Y246K238-F242 WeakPolarHBondContact O-CD2 3.15Å; K238-F242 PolarHBondContact O-N 3.21Å; C239-F242 PolarHBondContact O-N 3.46Å; C239-F242 VanDerWaalsContact O-N 3.17Å; F242-Q244 VanDerWaalsContact C-N 3.34Å; F242-Q244 PolarHBondContact O-N 3.26Å; F242-K245 PolarHBondContact O-N 3.06Å; F242-Y246 WeakPolarHBondContact O-CB 3.32Å; F242-Y246 PolarHBondContact O-N 2.96Å
243E69.9Low71.1Confident118 Ų118100.9 Ų100.955%0.55149%0.492SS*.Hα-helixtrans-59.9-43.5175.3-170.6-171.516100111.6C239 K240 Y246 R247C239-E243 WeakPolarHBondContact O-CB 3.43Å; C239-E243 PolarHBondContact O-N 2.9Å; K240-E243 PolarHBondContact O-N 3.17Å; E243-Y246 PolarHBondContact O-N 2.89Å; E243-R247 PolarHBondContact O-N 2.82Å
244Q68.8Low71.3Confident83 Ų8399.3 Ų99.339%0.38849%0.486SS..Hα-helixtrans-62-45.4174.5-174.96724.900111.9K240 F242 Y246 R247 M248K240-Q244 WeakPolarHBondContact O-CB 3.21Å; K240-Q244 PolarHBondContact O-N 3.43Å; F242-Q244 VanDerWaalsContact C-N 3.34Å; F242-Q244 PolarHBondContact O-N 3.26Å; Q244-Y246 VanDerWaalsContact C-N 3.33Å; Q244-Y246 PolarHBondContact O-N 3.39Å; Q244-R247 PolarHBondContact O-N 3.38Å; Q244-M248 HydrophobicContact CG-CE 4.32Å; Q244-M248 WeakPolarHBondContact O-CG 3.25Å; Q244-M248 PolarHBondContact O-N 3.36Å
245K67.3Low71.8Confident122 Ų122100.9 Ų100.953%0.5349%0.486SS..Hα-helixtrans-61.5-41.6176.3-75.6-179.6179.5-174.80112.2R241 F242 M248 A249R241-K245 WeakPolarHBondContact O-CG 3.3Å; R241-K245 PolarHBondContact O-N 2.85Å; F242-K245 PolarHBondContact O-N 3.06Å; K245-M248 HydrophobicContact CB-CE 4.48Å; K245-M248 HydrophobicContact CG-CE 4.1Å; K245-M248 PolarHBondContact O-N 2.95Å; K245-A249 WeakPolarHBondContact O-CB 3.29Å; K245-A249 PolarHBondContact O-N 2.63Å
246Y70.9Confident72.3Confident168 Ų168100.7 Ų100.766%0.65949%0.485SS*.Hα-helixtrans-63.7-41.9176.3-175-97.3000111.7F242 E243 Q244 M248 A249 L250F242-Y246 WeakPolarHBondContact O-CB 3.32Å; F242-Y246 PolarHBondContact O-N 2.96Å; E243-Y246 PolarHBondContact O-N 2.89Å; Q244-Y246 VanDerWaalsContact C-N 3.33Å; Q244-Y246 PolarHBondContact O-N 3.39Å; Y246-M248 PolarHBondContact O-N 3.32Å; Y246-A249 PolarHBondContact O-N 3.29Å; Y246-L250 WeakPolarHBondContact O-CB 3.46Å; Y246-L250 PolarHBondContact O-N 2.95Å
247R73.6Confident72.3Confident105 Ų105102.3 Ų102.340%0.39649%0.488SS..Hα-helixtrans-60.8-45.4175.8-160.3-172.4-42.5134.516.5112.1E243 Q244 A249 L250 E251E243-R247 PolarHBondContact O-N 2.82Å; Q244-R247 PolarHBondContact O-N 3.38Å; R247-A249 PolarHBondContact O-N 2.97Å; R247-L250 WeakPolarHBondContact O-CB 3.4Å; R247-L250 PolarHBondContact O-N 3.4Å; R247-E251 PolarHBondContact O-N 3.38Å
248M66.6Low72.6Confident54 Ų54104 Ų10427%0.26649%0.488SS..Hα-helixtrans-62.9-41.5175.8-68.6-174.7-63.200112Q244 K245 Y246 L250 E251 Q252Q244-M248 HydrophobicContact CG-CE 4.32Å; Q244-M248 WeakPolarHBondContact O-CG 3.25Å; Q244-M248 PolarHBondContact O-N 3.36Å; K245-M248 HydrophobicContact CB-CE 4.48Å; K245-M248 HydrophobicContact CG-CE 4.1Å; K245-M248 PolarHBondContact O-N 2.95Å; Y246-M248 PolarHBondContact O-N 3.32Å; M248-L250 VanDerWaalsContact C-N 3.29Å; M248-L250 PolarHBondContact O-N 2.92Å; M248-E251 PolarHBondContact O-N 2.87Å; M248-Q252 VanDerWaalsContact O-CG 3.3Å; M248-Q252 WeakPolarHBondContact O-CG 3.41Å; M248-Q252 PolarHBondContact O-N 3.23Å
249A72.2Confident73.1Confident48 Ų48100.5 Ų100.540%0.39748%0.476SS..Hα-helixtrans-64.2-34.8175.900000112.2K245 Y246 R247 Q252 K253K245-A249 WeakPolarHBondContact O-CB 3.29Å; K245-A249 PolarHBondContact O-N 2.63Å; Y246-A249 PolarHBondContact O-N 3.29Å; R247-A249 PolarHBondContact O-N 2.97Å; A249-Q252 PolarHBondContact O-N 3.19Å; A249-K253 WeakPolarHBondContact O-CB 3.33Å; A249-K253 PolarHBondContact O-N 3.05Å
250L72.2Confident73.5Confident95 Ų95100.3 Ų100.350%0.49747%0.472SS..Hα-helixtrans-67-42.2175.5-169.772000111.8Y246 R247 M248 K253 G254Y246-L250 WeakPolarHBondContact O-CB 3.46Å; Y246-L250 PolarHBondContact O-N 2.95Å; R247-L250 WeakPolarHBondContact O-CB 3.4Å; R247-L250 PolarHBondContact O-N 3.4Å; M248-L250 VanDerWaalsContact C-N 3.29Å; M248-L250 PolarHBondContact O-N 2.92Å; L250-K253 WeakPolarHBondContact O-CB 3.49Å; L250-K253 PolarHBondContact O-N 2.96Å; L250-G254 PolarHBondContact O-N 3.38Å
251E78.1Confident74.2Confident118 Ų118100.5 Ų100.555%0.55147%0.469SS*.Hα-helixtrans-64.8-42.2174.6-70.9171.2-169.500111.7R247 M248 K253 G254 Y255R247-E251 PolarHBondContact O-N 3.38Å; M248-E251 PolarHBondContact O-N 2.87Å; E251-K253 VanDerWaalsContact C-N 3.35Å; E251-K253 PolarHBondContact O-N 3.25Å; E251-G254 PolarHBondContact O-N 3.49Å; E251-Y255 PolarHBondContact O-N 3.48Å
252Q72.1Confident75.1Confident110 Ų11099.9 Ų99.951%0.51447%0.472SS..Hα-helixtrans-59.6-45.1173.8-75.1174.9-3.900111.8M248 A249 Y255 L256M248-Q252 VanDerWaalsContact O-CG 3.3Å; M248-Q252 WeakPolarHBondContact O-CG 3.41Å; M248-Q252 PolarHBondContact O-N 3.23Å; A249-Q252 PolarHBondContact O-N 3.19Å; Q252-Y255 PolarHBondContact O-N 3.03Å; Q252-L256 WeakPolarHBondContact O-CG 3.48Å; Q252-L256 PolarHBondContact O-N 2.91Å
253K71.6Confident75.6Confident113 Ų113100 Ų10049%0.49147%0.468SS..Hα-helixtrans-57.8-49.2174.8179.3-170.9163.3-175.10110.6A249 L250 E251 Y255 L256 E257A249-K253 WeakPolarHBondContact O-CB 3.33Å; A249-K253 PolarHBondContact O-N 3.05Å; L250-K253 WeakPolarHBondContact O-CB 3.49Å; L250-K253 PolarHBondContact O-N 2.96Å; E251-K253 VanDerWaalsContact C-N 3.35Å; E251-K253 PolarHBondContact O-N 3.25Å; K253-Y255 VanDerWaalsContact C-N 3.34Å; K253-Y255 PolarHBondContact O-N 3.2Å; K253-L256 PolarHBondContact O-N 3.48Å; K253-E257 VanDerWaalsContact CE-CD 3.41Å; K253-E257 WeakPolarHBondContact CE-OE1 3.44Å; K253-E257 HydrophobicContact CG-CG 4.38Å; K253-E257 IonicContact NZ-OE1 3.96Å; K253-E257 WeakPolarHBondContact O-CG 3.38Å; K253-E257 PolarHBondContact O-N 3.26Å
254G74.1Confident76.3Confident33 Ų33100.1 Ų100.134%0.3447%0.469SS..Hα-helixtrans-61.4-39.5179.900000113.3L250 E251 E257 E258L250-G254 PolarHBondContact O-N 3.38Å; E251-G254 PolarHBondContact O-N 3.49Å; G254-E257 PolarHBondContact O-N 2.92Å; G254-E258 PolarHBondContact O-N 2.93Å
255Y81Confident77.3Confident126 Ų12698.7 Ų98.749%0.49447%0.471SS..Hα-helixtrans-62.1-45.3174173.7-99.4000112.3E251 Q252 K253 E258 L259E251-Y255 PolarHBondContact O-N 3.48Å; Q252-Y255 PolarHBondContact O-N 3.03Å; K253-Y255 VanDerWaalsContact C-N 3.34Å; K253-Y255 PolarHBondContact O-N 3.2Å; Y255-E258 PolarHBondContact O-N 2.87Å; Y255-L259 WeakPolarHBondContact O-CB 3.3Å; Y255-L259 PolarHBondContact O-N 2.8Å
256L80.8Confident78.2Confident101 Ų10197.6 Ų97.653%0.52947%0.468SS..Hα-helixtrans-66.6-40.3178.7-69.8174.5000111.8Q252 K253 L259 V260Q252-L256 WeakPolarHBondContact O-CG 3.48Å; Q252-L256 PolarHBondContact O-N 2.91Å; K253-L256 PolarHBondContact O-N 3.48Å; L256-L259 PolarHBondContact O-N 3.47Å; L256-V260 WeakPolarHBondContact O-CG2 3.39Å; L256-V260 PolarHBondContact O-N 3.37Å
257E75.8Confident79.1Confident108 Ų10895 Ų9551%0.50547%0.465SS..Hα-helixtrans-60.9-43.4175.2-74.4177155.200111.5K253 G254 V260 R261K253-E257 VanDerWaalsContact CE-CD 3.41Å; K253-E257 WeakPolarHBondContact CE-OE1 3.44Å; K253-E257 HydrophobicContact CG-CG 4.38Å; K253-E257 IonicContact NZ-OE1 3.96Å; K253-E257 WeakPolarHBondContact O-CG 3.38Å; K253-E257 PolarHBondContact O-N 3.26Å; G254-E257 PolarHBondContact O-N 2.92Å; E257-V260 PolarHBondContact O-N 3.18Å; E257-R261 WeakPolarHBondContact O-CB 3.43Å; E257-R261 PolarHBondContact O-N 3.17Å
258E78.1Confident80.1Confident96 Ų9693.9 Ų93.945%0.44947%0.473SS..Hα-helixtrans-68.7-35.7177-172.359.6-165.100112.2G254 Y255 R261 L262G254-E258 PolarHBondContact O-N 2.93Å; Y255-E258 PolarHBondContact O-N 2.87Å; E258-R261 PolarHBondContact O-N 3.36Å; E258-R261 IonicContact OE1-CZ 3.77Å; E258-R261 IonicContact OE1-NE 3.52Å; E258-R261 PolarHBondContact OE1-NE 3.46Å; E258-R261 IonicContact OE1-NH2 3.81Å; E258-R261 PolarHBondContact OE1-NH2 2.99Å; E258-R261 IonicContact OE2-CZ 2.86Å; E258-R261 IonicContact OE2-NE 2.66Å; E258-R261 PolarHBondContact OE2-NE 3.48Å; E258-R261 IonicContact OE2-NH2 3.36Å; E258-L262 WeakPolarHBondContact O-CB 3.31Å; E258-L262 PolarHBondContact O-N 3.47Å
259L81Confident81.4Confident55 Ų5598 Ų9829%0.28849%0.492SS..Hα-helixtrans-63.5-43.2173.9-173.368.7000111.3Y255 L256 L262 R263Y255-L259 WeakPolarHBondContact O-CB 3.3Å; Y255-L259 PolarHBondContact O-N 2.8Å; L256-L259 PolarHBondContact O-N 3.47Å; L259-L262 PolarHBondContact O-N 3.33Å; L259-R263 WeakPolarHBondContact O-CG 3.42Å; L259-R263 PolarHBondContact O-N 3.25Å
260V80.4Confident82.2Confident80 Ų8098.5 Ų98.549%0.48550%0.496SS..Hα-helixtrans-61.8-48.3174.7170.10000110L256 E257 L262 R263 E264L256-V260 WeakPolarHBondContact O-CG2 3.39Å; L256-V260 PolarHBondContact O-N 3.37Å; E257-V260 PolarHBondContact O-N 3.18Å; V260-L262 VanDerWaalsContact C-N 3.28Å; V260-L262 PolarHBondContact O-N 3.08Å; V260-R263 PolarHBondContact O-N 2.92Å; V260-E264 HydrophobicContact CG1-CG 4.29Å; V260-E264 WeakPolarHBondContact O-CG 3.35Å; V260-E264 PolarHBondContact O-N 3.49Å
261R86.6Confident83.3Confident140 Ų14098.2 Ų98.253%0.52850%0.498SS..Hα-helixtrans-57.6-41.1178-162.6-172.174.982.53.7112.1E257 E258 E264 A265E257-R261 WeakPolarHBondContact O-CB 3.43Å; E257-R261 PolarHBondContact O-N 3.17Å; E258-R261 PolarHBondContact O-N 3.36Å; E258-R261 IonicContact OE1-CZ 3.77Å; E258-R261 IonicContact OE1-NE 3.52Å; E258-R261 PolarHBondContact OE1-NE 3.46Å; E258-R261 IonicContact OE1-NH2 3.81Å; E258-R261 PolarHBondContact OE1-NH2 2.99Å; E258-R261 IonicContact OE2-CZ 2.86Å; E258-R261 IonicContact OE2-NE 2.66Å; E258-R261 PolarHBondContact OE2-NE 3.48Å; E258-R261 IonicContact OE2-NH2 3.36Å; R261-E264 PolarHBondContact O-N 3.27Å; R261-A265 WeakPolarHBondContact O-CB 3.42Å; R261-A265 PolarHBondContact O-N 2.78Å
262L84.1Confident84.1Confident82 Ų8295.8 Ų95.843%0.42949%0.494SS..Hα-helixtrans-64.3-43.3175.5-176.669.1000111.6E258 L259 V260 A265 Q266E258-L262 WeakPolarHBondContact O-CB 3.31Å; E258-L262 PolarHBondContact O-N 3.47Å; L259-L262 PolarHBondContact O-N 3.33Å; V260-L262 VanDerWaalsContact C-N 3.28Å; V260-L262 PolarHBondContact O-N 3.08Å; L262-A265 PolarHBondContact O-N 2.73Å; L262-Q266 WeakPolarHBondContact O-CG 3.38Å; L262-Q266 PolarHBondContact O-N 3.38Å
263R82.1Confident85.1Confident144 Ų14496.2 Ų96.254%0.54350%0.496SS..Hα-helixtrans-66-40.2177.5-70.6-61.9-174.3107.23.4112.1L259 V260 Q266 L267L259-R263 WeakPolarHBondContact O-CG 3.42Å; L259-R263 PolarHBondContact O-N 3.25Å; V260-R263 PolarHBondContact O-N 2.92Å; R263-Q266 PolarHBondContact O-N 2.89Å; R263-L267 VanDerWaalsContact O-CB 3.31Å; R263-L267 WeakPolarHBondContact O-CB 3.33Å; R263-L267 PolarHBondContact O-N 2.98Å
264E86.1Confident86.1Confident122 Ų12294.9 Ų94.957%0.5749%0.494SS*.Hα-helixtrans-63-41.9174.4-72.3176.6162.200111.6V260 R261 L267 S268V260-E264 HydrophobicContact CG1-CG 4.29Å; V260-E264 WeakPolarHBondContact O-CG 3.35Å; V260-E264 PolarHBondContact O-N 3.49Å; R261-E264 PolarHBondContact O-N 3.27Å; E264-L267 PolarHBondContact O-N 3.49Å; E264-S268 WeakPolarHBondContact O-CB 3.42Å; E264-S268 PolarHBondContact O-N 3.38Å
265A87.8Confident87.2Confident52 Ų52100.6 Ų100.643%0.4351%0.509SS..Hα-helixtrans-62.9-46.5175.200000111.8R261 L262 L267 S268 E269R261-A265 WeakPolarHBondContact O-CB 3.42Å; R261-A265 PolarHBondContact O-N 2.78Å; L262-A265 PolarHBondContact O-N 2.73Å; A265-L267 VanDerWaalsContact C-N 3.32Å; A265-L267 PolarHBondContact O-N 2.96Å; A265-S268 PolarHBondContact O-N 3.4Å; A265-E269 PolarHBondContact O-N 3.41Å
266Q87.2Confident87.9Confident99 Ų9997.4 Ų97.446%0.46351%0.509SS..Hα-helixtrans-61.3-40.6175.4-74.7177.7-12.700112.1L262 R263 E269 A270L262-Q266 WeakPolarHBondContact O-CG 3.38Å; L262-Q266 PolarHBondContact O-N 3.38Å; R263-Q266 PolarHBondContact O-N 2.89Å; Q266-E269 PolarHBondContact O-N 3.3Å; Q266-A270 VanDerWaalsContact O-CB 3.3Å; Q266-A270 WeakPolarHBondContact O-CB 2.77Å; Q266-A270 PolarHBondContact O-N 3.4Å
267L90.4Very high88.5Confident115 Ų11597.3 Ų97.360%0.60251%0.509SS*.Hα-helixtrans-65-44.5176.5-175.466.6000110.9R263 E264 A265 E269 A270 V271R263-L267 VanDerWaalsContact O-CB 3.31Å; R263-L267 WeakPolarHBondContact O-CB 3.33Å; R263-L267 PolarHBondContact O-N 2.98Å; E264-L267 PolarHBondContact O-N 3.49Å; A265-L267 VanDerWaalsContact C-N 3.32Å; A265-L267 PolarHBondContact O-N 2.96Å; L267-E269 PolarHBondContact O-N 3.03Å; L267-A270 PolarHBondContact O-N 3.35Å; L267-V271 HydrophobicContact CD1-CG2 4.42Å; L267-V271 HydrophobicContact CG-CG2 4.42Å; L267-V271 WeakPolarHBondContact O-CB 3.46Å; L267-V271 WeakPolarHBondContact O-CG2 3.45Å; L267-V271 PolarHBondContact O-N 2.86Å
268S94.3Very high89.4Confident81 Ų8198 Ų9857%0.56651%0.512SS*.Hα-helixtrans-59.8-45.2176.7-172.80000111.8E264 A265 V271 S272E264-S268 WeakPolarHBondContact O-CB 3.42Å; E264-S268 PolarHBondContact O-N 3.38Å; A265-S268 PolarHBondContact O-N 3.4Å; S268-V271 PolarHBondContact O-N 2.89Å; S268-S272 WeakPolarHBondContact O-CB 3.44Å; S268-S272 PolarHBondContact O-N 3.05Å
269E94.1Very high90.2Very high140 Ų14098.6 Ų98.665%0.65452%0.515SS*.Hα-helixtrans-61.9-49.3175.8-174178.6-173.100111.2A265 Q266 L267 V271 S272 H273A265-E269 PolarHBondContact O-N 3.41Å; Q266-E269 PolarHBondContact O-N 3.3Å; L267-E269 PolarHBondContact O-N 3.03Å; E269-V271 VanDerWaalsContact C-N 3.33Å; E269-V271 PolarHBondContact O-N 3.47Å; E269-S272 PolarHBondContact O-N 3Å; E269-S272 VanDerWaalsContact O-N 3.15Å; E269-S272 PolarHBondContact O-OG 3.34Å; E269-H273 PolarHBondContact O-N 2.91Å
270A88.7Confident90.9Very high58 Ų5899.1 Ų99.148%0.47952%0.523SS..Hα-helixtrans-60.1-41.5178.200000112.3Q266 L267 H273 N274Q266-A270 VanDerWaalsContact O-CB 3.3Å; Q266-A270 WeakPolarHBondContact O-CB 2.77Å; Q266-A270 PolarHBondContact O-N 3.4Å; L267-A270 PolarHBondContact O-N 3.35Å; A270-H273 PolarHBondContact O-N 2.89Å; A270-N274 WeakPolarHBondContact O-CB 3.37Å; A270-N274 PolarHBondContact O-N 3.02Å
271V95Very high91.6Very high89 Ų89101.3 Ų101.354%0.53953%0.531SS..Hα-helixtrans-63.6-43.6175.41680000110.8L267 S268 E269 H273 N274 K275L267-V271 HydrophobicContact CD1-CG2 4.42Å; L267-V271 HydrophobicContact CG-CG2 4.42Å; L267-V271 WeakPolarHBondContact O-CB 3.46Å; L267-V271 WeakPolarHBondContact O-CG2 3.45Å; L267-V271 PolarHBondContact O-N 2.86Å; S268-V271 PolarHBondContact O-N 2.89Å; E269-V271 VanDerWaalsContact C-N 3.33Å; E269-V271 PolarHBondContact O-N 3.47Å; V271-H273 PolarHBondContact O-N 3.43Å; V271-N274 PolarHBondContact O-N 3.28Å; V271-K275 WeakPolarHBondContact O-CB 3.49Å; V271-K275 PolarHBondContact O-N 2.84Å
272S94.4Very high92Very high68 Ų6897.2 Ų97.248%0.47653%0.527SS..Hα-helixtrans-63.5-41.1177.577.40000112.1S268 E269 K275 A276S268-S272 WeakPolarHBondContact O-CB 3.44Å; S268-S272 PolarHBondContact O-N 3.05Å; E269-S272 PolarHBondContact O-N 3Å; E269-S272 VanDerWaalsContact O-N 3.15Å; E269-S272 PolarHBondContact O-OG 3.34Å; S272-K275 PolarHBondContact O-N 2.9Å; S272-A276 PolarHBondContact O-N 2.97Å
273H94Very high92.6Very high118 Ų11897.4 Ų97.455%0.54653%0.529SS..Hα-helixtrans-67-42.2177.3-16968.7000111.6E269 A270 V271 K275 A276 L277E269-H273 PolarHBondContact O-N 2.91Å; A270-H273 PolarHBondContact O-N 2.89Å; V271-H273 PolarHBondContact O-N 3.43Å; H273-K275 VanDerWaalsContact C-N 3.34Å; H273-K275 PolarHBondContact O-N 3.27Å; H273-A276 PolarHBondContact O-N 3.01Å; H273-L277 WeakPolarHBondContact O-CG 3.47Å; H273-L277 PolarHBondContact O-N 3.39Å
274N92.8Very high93.1Very high86 Ų8693.5 Ų93.546%0.4652%0.521SS..Hα-helixtrans-62.2-42.8176.4-160.2-77.7000111.4A270 V271 A276 L277 Q278A270-N274 WeakPolarHBondContact O-CB 3.37Å; A270-N274 PolarHBondContact O-N 3.02Å; V271-N274 PolarHBondContact O-N 3.28Å; N274-A276 VanDerWaalsContact C-N 3.34Å; N274-A276 PolarHBondContact O-N 3.45Å; N274-L277 PolarHBondContact O-N 2.89Å; N274-Q278 WeakPolarHBondContact O-CG 3.16Å; N274-Q278 PolarHBondContact O-N 3.42Å; N274-Q278 PolarHBondContact OD1-NE2 3.1Å
275K96.2Very high93.6Very high152 Ų15293.9 Ų93.966%0.66152%0.523SS*.Hα-helixtrans-60.4-42.4174.7-172.9178.2-179.5-179.90112V271 S272 H273 Q278 Q279V271-K275 WeakPolarHBondContact O-CB 3.49Å; V271-K275 PolarHBondContact O-N 2.84Å; S272-K275 PolarHBondContact O-N 2.9Å; H273-K275 VanDerWaalsContact C-N 3.34Å; H273-K275 PolarHBondContact O-N 3.27Å; K275-Q278 PolarHBondContact O-N 3.03Å; K275-Q279 PolarHBondContact O-N 3.36Å
276A95.4Very high94Very high60 Ų6096.3 Ų96.350%0.49653%0.528SS..Hα-helixtrans-64.4-41.3176.200000112.1S272 H273 N274 Q279 S280S272-A276 PolarHBondContact O-N 2.97Å; H273-A276 PolarHBondContact O-N 3.01Å; N274-A276 VanDerWaalsContact C-N 3.34Å; N274-A276 PolarHBondContact O-N 3.45Å; A276-Q279 PolarHBondContact O-N 3.18Å; A276-S280 PolarHBondContact O-N 3.47Å
277L94.4Very high94.4Very high98 Ų9894.3 Ų94.351%0.51353%0.525SS..Hα-helixtrans-64.5-43175.1-76.8171.7000112.2H273 N274 Q279 S280 L281H273-L277 WeakPolarHBondContact O-CG 3.47Å; H273-L277 PolarHBondContact O-N 3.39Å; N274-L277 PolarHBondContact O-N 2.89Å; L277-Q279 VanDerWaalsContact C-N 3.31Å; L277-Q279 PolarHBondContact O-N 3.28Å; L277-S280 PolarHBondContact O-N 3.46Å; L277-L281 WeakPolarHBondContact O-CB 3.28Å; L277-L281 PolarHBondContact O-N 2.92Å
278Q93.9Very high94.6Very high123 Ų12394.4 Ų94.458%0.57552%0.522SS*.Hα-helixtrans-61-41.3175.2-76.5-179.6-16.500111.7N274 K275 L281 A282N274-Q278 WeakPolarHBondContact O-CG 3.16Å; N274-Q278 PolarHBondContact O-N 3.42Å; N274-Q278 PolarHBondContact OD1-NE2 3.1Å; K275-Q278 PolarHBondContact O-N 3.03Å; Q278-L281 PolarHBondContact O-N 3.38Å; Q278-A282 PolarHBondContact O-N 2.9Å
279Q96.4Very high94.6Very high109 Ų10993 Ų9351%0.50951%0.51SS..Hα-helixtrans-62.6-47.3175-171.262.448.700111.2K275 A276 L277 L281 A282 D283K275-Q279 PolarHBondContact O-N 3.36Å; A276-Q279 PolarHBondContact O-N 3.18Å; L277-Q279 VanDerWaalsContact C-N 3.31Å; L277-Q279 PolarHBondContact O-N 3.28Å; Q279-L281 VanDerWaalsContact C-N 3.3Å; Q279-L281 PolarHBondContact O-N 2.9Å; Q279-A282 PolarHBondContact O-N 3.24Å; Q279-A282 VanDerWaalsContact O-N 3.13Å; Q279-D283 PolarHBondContact NE2-OD1 3.41Å; Q279-D283 PolarHBondContact O-N 3.24Å
280S95.6Very high94.6Very high65 Ų6590.4 Ų90.446%0.45550%0.5SS..Hα-helixtrans-61.6-37177.5179.80000112.7A276 L277 T284A276-S280 PolarHBondContact O-N 3.47Å; L277-S280 PolarHBondContact O-N 3.46Å; S280-T284 WeakPolarHBondContact O-CB 3.41Å; S280-T284 VanDerWaalsContact O-CG2 3.31Å; S280-T284 WeakPolarHBondContact O-CG2 3.39Å; S280-T284 PolarHBondContact O-N 2.69Å; S280-T284 PolarHBondContact O-OG1 3.38Å
281L94.7Very high94.8Very high126 Ų12692.2 Ų92.266%0.6650%0.499SS*.Hα-helixtrans-64.6-43.3173.9-16990000111.4L277 Q278 Q279 T284 H285L277-L281 WeakPolarHBondContact O-CB 3.28Å; L277-L281 PolarHBondContact O-N 2.92Å; Q278-L281 PolarHBondContact O-N 3.38Å; Q279-L281 VanDerWaalsContact C-N 3.3Å; Q279-L281 PolarHBondContact O-N 2.9Å; L281-T284 WeakPolarHBondContact CA-OG1 3.36Å; L281-T284 PolarHBondContact O-OG1 3.34Å; L281-H285 WeakPolarHBondContact O-CB 3.45Å; L281-H285 PolarHBondContact O-N 3.48Å
282A95.5Very high94.6Very high54 Ų5491.5 Ų91.545%0.44649%0.488SS..Hα-helixtrans-64.2-43.5177.100000111.6Q278 Q279 H285 L286Q278-A282 PolarHBondContact O-N 2.9Å; Q279-A282 PolarHBondContact O-N 3.24Å; Q279-A282 VanDerWaalsContact O-N 3.13Å; A282-H285 PolarHBondContact O-N 2.94Å; A282-L286 WeakPolarHBondContact O-CB 3.35Å; A282-L286 PolarHBondContact O-N 3.45Å
283D94.9Very high94.5Very high86 Ų8693.6 Ų93.646%0.4649%0.49SS..Hα-helixtrans-64.3-43.2179.2-64-15.6000111.3Q279 L286 S287Q279-D283 PolarHBondContact NE2-OD1 3.41Å; Q279-D283 PolarHBondContact O-N 3.24Å; D283-L286 PolarHBondContact O-N 3.48Å; D283-S287 PolarHBondContact O-N 2.72Å
284T94.3Very high94.5Very high63 Ų6393.9 Ų93.939%0.38749%0.492SS..Hα-helixtrans-66.1-40.3175.749.80000112S280 L281 L286 S287 H288S280-T284 WeakPolarHBondContact O-CB 3.41Å; S280-T284 VanDerWaalsContact O-CG2 3.31Å; S280-T284 WeakPolarHBondContact O-CG2 3.39Å; S280-T284 PolarHBondContact O-N 2.69Å; S280-T284 PolarHBondContact O-OG1 3.38Å; L281-T284 WeakPolarHBondContact CA-OG1 3.36Å; L281-T284 PolarHBondContact O-OG1 3.34Å; T284-L286 VanDerWaalsContact C-N 3.34Å; T284-L286 PolarHBondContact O-N 3.15Å; T284-S287 PolarHBondContact O-N 2.91Å; T284-H288 PolarHBondContact O-CD2 3.32Å; T284-H288 VanDerWaalsContact O-CG 3.29Å; T284-H288 PolarHBondContact O-N 3.26Å
285H95.6Very high94.5Very high129 Ų12994 Ų9460%0.59749%0.493SS*.Hα-helixtrans-62.8-40.7175.2-173.160.8000112.2L281 A282 T289L281-H285 WeakPolarHBondContact O-CB 3.45Å; L281-H285 PolarHBondContact O-N 3.48Å; A282-H285 PolarHBondContact O-N 2.94Å; H285-T289 WeakPolarHBondContact O-CB 3.19Å; H285-T289 PolarHBondContact O-N 3.41Å; H285-T289 PolarHBondContact O-OG1 3.28Å
286L96.3Very high94Very high104 Ų10488.9 Ų88.955%0.54547%0.471SS..Hα-helixtrans-63.6-45.9174.5-17664.8000111.3A282 D283 T284 H288 T289 L290A282-L286 WeakPolarHBondContact O-CB 3.35Å; A282-L286 PolarHBondContact O-N 3.45Å; D283-L286 PolarHBondContact O-N 3.48Å; T284-L286 VanDerWaalsContact C-N 3.34Å; T284-L286 PolarHBondContact O-N 3.15Å; L286-H288 PolarHBondContact O-N 3.01Å; L286-T289 PolarHBondContact O-N 3.27Å; L286-L290 HydrophobicContact CG-CD1 4.35Å; L286-L290 WeakPolarHBondContact O-CG 3.21Å; L286-L290 PolarHBondContact O-N 3.48Å
287S95.4Very high93.8Very high56 Ų5693.9 Ų93.939%0.39248%0.478SS..Hα-helixtrans-57.3-49.8176.2-164.20000111.6D283 T284 T289 L290 E291D283-S287 PolarHBondContact O-N 2.72Å; T284-S287 PolarHBondContact O-N 2.91Å; S287-T289 VanDerWaalsContact C-N 3.27Å; S287-T289 PolarHBondContact O-N 3.49Å; S287-L290 PolarHBondContact O-N 3.22Å; S287-E291 WeakPolarHBondContact O-CG 3.39Å; S287-E291 PolarHBondContact O-N 3.05Å; S287-E291 PolarHBondContact OG-OE1 2.85Å
288H94.6Very high93.7Very high117 Ų11793.2 Ų93.254%0.54247%0.474SS..Hα-helixtrans-61.4-35.9178-68.9178.2000112.4T284 L286 K292T284-H288 PolarHBondContact O-CD2 3.32Å; T284-H288 VanDerWaalsContact O-CG 3.29Å; T284-H288 PolarHBondContact O-N 3.26Å; L286-H288 PolarHBondContact O-N 3.01Å; H288-K292 WeakPolarHBondContact O-CB 3.28Å; H288-K292 PolarHBondContact O-N 2.96Å
289T93.6Very high93.4Very high51 Ų5189.2 Ų89.231%0.31346%0.456SS..Hα-helixtrans-67.5-43.2177.6-58.50000111.2H285 L286 S287 K292 Q293H285-T289 WeakPolarHBondContact O-CB 3.19Å; H285-T289 PolarHBondContact O-N 3.41Å; H285-T289 PolarHBondContact O-OG1 3.28Å; L286-T289 PolarHBondContact O-N 3.27Å; S287-T289 VanDerWaalsContact C-N 3.27Å; S287-T289 PolarHBondContact O-N 3.49Å; T289-K292 PolarHBondContact O-N 2.84Å; T289-Q293 WeakPolarHBondContact O-CG 3.44Å; T289-Q293 PolarHBondContact O-N 2.75Å
290L95.1Very high92.9Very high86 Ų8687.6 Ų87.645%0.4545%0.454SS..Hα-helixtrans-64.4-44.3175.8-70.2172000111.5L286 S287 K292 Q293 Q294L286-L290 HydrophobicContact CG-CD1 4.35Å; L286-L290 WeakPolarHBondContact O-CG 3.21Å; L286-L290 PolarHBondContact O-N 3.48Å; S287-L290 PolarHBondContact O-N 3.22Å; L290-K292 PolarHBondContact O-N 2.85Å; L290-Q293 PolarHBondContact O-N 3.49Å; L290-Q294 VanDerWaalsContact O-CG 3.31Å; L290-Q294 WeakPolarHBondContact O-CG 3.32Å; L290-Q294 PolarHBondContact O-N 2.66Å
291E92.6Very high92.8Very high96 Ų9687.9 Ų87.945%0.44945%0.448SS..Hα-helixtrans-60.6-43.2174.7-73.9171.7-152.500111.6S287 Q293 Q294 L295S287-E291 WeakPolarHBondContact O-CG 3.39Å; S287-E291 PolarHBondContact O-N 3.05Å; S287-E291 PolarHBondContact OG-OE1 2.85Å; E291-Q293 PolarHBondContact O-N 3.4Å; E291-Q294 PolarHBondContact O-N 3.44Å; E291-L295 WeakPolarHBondContact O-CG 3.34Å; E291-L295 PolarHBondContact O-N 3.49Å
292K90.8Very high92.5Very high75 Ų7586.6 Ų86.633%0.32644%0.441SS..Hα-helixtrans-58.3-48.4174.8-176.5-176177.7-175.90111.1H288 T289 L290 Q294 L295 E296 E362H288-K292 WeakPolarHBondContact O-CB 3.28Å; H288-K292 PolarHBondContact O-N 2.96Å; T289-K292 PolarHBondContact O-N 2.84Å; L290-K292 PolarHBondContact O-N 2.85Å; K292-Q294 VanDerWaalsContact C-N 3.34Å; K292-Q294 PolarHBondContact O-N 2.96Å; K292-L295 PolarHBondContact O-N 3.15Å; K292-E296 WeakPolarHBondContact CE-OE1 3.31Å; K292-E296 WeakPolarHBondContact O-CG 3.43Å; K292-E296 PolarHBondContact O-N 3.29Å; K292-E362 IonicContact NZ-OE1 3.98Å; K292-E362 PolarHBondContact NZ-OE1 3.46Å
293Q92.6Very high92Very high111 Ų11186 Ų8652%0.51943%0.429SS..Hα-helixtrans-62.6-40.4178.8-73.5177.1-5.800112.3T289 L290 E291 E296 Y297T289-Q293 WeakPolarHBondContact O-CG 3.44Å; T289-Q293 PolarHBondContact O-N 2.75Å; L290-Q293 PolarHBondContact O-N 3.49Å; E291-Q293 PolarHBondContact O-N 3.4Å; Q293-E296 PolarHBondContact O-N 3.49Å; Q293-Y297 PolarHBondContact O-N 2.92Å
294Q94.3Very high91.7Very high124 Ų12486.1 Ų86.158%0.57943%0.43SS*.Hα-helixtrans-62.1-44.5175.3-74.6175.4-500111.7L290 E291 K292 Y297 I298L290-Q294 VanDerWaalsContact O-CG 3.31Å; L290-Q294 WeakPolarHBondContact O-CG 3.32Å; L290-Q294 PolarHBondContact O-N 2.66Å; E291-Q294 PolarHBondContact O-N 3.44Å; K292-Q294 VanDerWaalsContact C-N 3.34Å; K292-Q294 PolarHBondContact O-N 2.96Å; Q294-Y297 PolarHBondContact O-N 3.26Å; Q294-I298 WeakPolarHBondContact O-CG1 3.33Å; Q294-I298 PolarHBondContact O-N 3.06Å
295L91.4Very high91.5Very high90 Ų9087.7 Ų87.747%0.47143%0.433SS..Hα-helixtrans-64.2-42.6176.9-70.2173000111.6E291 K292 Y297 I298 I299 L361E291-L295 WeakPolarHBondContact O-CG 3.34Å; E291-L295 PolarHBondContact O-N 3.49Å; K292-L295 PolarHBondContact O-N 3.15Å; L295-Y297 VanDerWaalsContact C-N 3.31Å; L295-Y297 PolarHBondContact O-N 3.09Å; L295-I298 PolarHBondContact O-N 3.05Å; L295-I299 WeakPolarHBondContact O-CD1 3.5Å; L295-I299 VanDerWaalsContact O-CG1 3.31Å; L295-I299 WeakPolarHBondContact O-CG1 3.47Å; L295-I299 PolarHBondContact O-N 2.88Å; L295-L361 HydrophobicContact CB-CD1 3.98Å
296E87.4Confident91Very high44 Ų4486.9 Ų86.921%0.20643%0.432CS..Hα-helixtrans-59.2-42.5175.2-74.8179.8156.700111.6K292 Q293 I299 V300 S360 L361K292-E296 WeakPolarHBondContact CE-OE1 3.31Å; K292-E296 WeakPolarHBondContact O-CG 3.43Å; K292-E296 PolarHBondContact O-N 3.29Å; Q293-E296 PolarHBondContact O-N 3.49Å; E296-I299 PolarHBondContact O-N 2.91Å; E296-V300 WeakPolarHBondContact O-CG2 3.34Å; E296-V300 PolarHBondContact O-N 3.36Å; E296-V300 VanDerWaalsContact O-N 3.14Å; E296-S360 PolarHBondContact OE1-OG 3.01Å; E296-L361 HydrophobicContact CG-CB 4.17Å; E296-L361 HydrophobicContact CG-CD1 4.22Å; E296-L361 PolarHBondContact OE1-N 3.49Å; E296-L361 VanDerWaalsContact OE1-N 3.1Å
297Y91.1Very high90.4Very high164 Ų16485.5 Ų85.564%0.64343%0.428SS*.Hα-helixtrans-61.2-47.4174.1177.5-98.5000112.4Q293 Q294 L295 I299 V300 E301Q293-Y297 PolarHBondContact O-N 2.92Å; Q294-Y297 PolarHBondContact O-N 3.26Å; L295-Y297 VanDerWaalsContact C-N 3.31Å; L295-Y297 PolarHBondContact O-N 3.09Å; Y297-I299 VanDerWaalsContact C-N 3.28Å; Y297-I299 PolarHBondContact O-N 2.97Å; Y297-V300 PolarHBondContact O-N 3.48Å; Y297-E301 PolarHBondContact O-N 3.38Å
298I91.7Very high90.1Very high85 Ų8587 Ų8744%0.43643%0.434SS..Hα-helixtrans-59.2-41.4178.1-69.6165.7000110.8Q294 L295 E301 L302Q294-I298 WeakPolarHBondContact O-CG1 3.33Å; Q294-I298 PolarHBondContact O-N 3.06Å; L295-I298 PolarHBondContact O-N 3.05Å; I298-E301 PolarHBondContact O-N 3.3Å; I298-L302 HydrophobicContact CG2-CD1 3.8Å; I298-L302 HydrophobicContact CG2-CG 4.23Å; I298-L302 WeakPolarHBondContact O-CB 3.21Å; I298-L302 VanDerWaalsContact O-CG 3.27Å; I298-L302 WeakPolarHBondContact O-CG 3.34Å; I298-L302 PolarHBondContact O-N 3.48Å
299I87.1Confident89.6Confident39 Ų3987 Ų8720%0.244%0.438CS..Hα-helixtrans-62.3-45.4178.9-72.7154.6000111.3L295 E296 Y297 E301 L302 Q303 L361 L364L295-I299 WeakPolarHBondContact O-CD1 3.5Å; L295-I299 VanDerWaalsContact O-CG1 3.31Å; L295-I299 WeakPolarHBondContact O-CG1 3.47Å; L295-I299 PolarHBondContact O-N 2.88Å; E296-I299 PolarHBondContact O-N 2.91Å; Y297-I299 VanDerWaalsContact C-N 3.28Å; Y297-I299 PolarHBondContact O-N 2.97Å; I299-E301 VanDerWaalsContact C-N 3.33Å; I299-E301 PolarHBondContact O-N 2.96Å; I299-L302 PolarHBondContact O-N 3.37Å; I299-Q303 HydrophobicContact CG2-CG 4.43Å; I299-Q303 WeakPolarHBondContact O-CB 3.35Å; I299-Q303 VanDerWaalsContact O-CG 3.31Å; I299-Q303 WeakPolarHBondContact O-CG 3.44Å; I299-Q303 PolarHBondContact O-N 2.99Å; I299-L361 HydrophobicContact CD1-CD1 3.61Å; I299-L364 HydrophobicContact CB-CD1 4.43Å; I299-L364 HydrophobicContact CD1-CD1 3.28Å; I299-L364 HydrophobicContact CG1-CD1 4.02Å; I299-L364 HydrophobicContact CG2-CD1 3.78Å
300V87.3Confident88.9Confident75 Ų7588.8 Ų88.846%0.45544%0.442SS..Hα-helixtrans-62.7-42.8178.6173.10000110.8E296 Y297 Q303 N304E296-V300 WeakPolarHBondContact O-CG2 3.34Å; E296-V300 PolarHBondContact O-N 3.36Å; E296-V300 VanDerWaalsContact O-N 3.14Å; Y297-V300 PolarHBondContact O-N 3.48Å; V300-Q303 PolarHBondContact O-N 3.42Å; V300-N304 PolarHBondContact O-N 3.11Å
301E91.9Very high88.4Confident71 Ų7189 Ų8933%0.33244%0.443SS..Hα-helixtrans-62.1-45.2177-178.254.4-147.200111.7Y297 I298 I299 Q303 N304 Q305Y297-E301 PolarHBondContact O-N 3.38Å; I298-E301 PolarHBondContact O-N 3.3Å; I299-E301 VanDerWaalsContact C-N 3.33Å; I299-E301 PolarHBondContact O-N 2.96Å; E301-Q303 VanDerWaalsContact C-N 3.35Å; E301-Q303 PolarHBondContact O-N 2.89Å; E301-N304 WeakPolarHBondContact O-CB 3.2Å; E301-N304 PolarHBondContact O-N 3.13Å; E301-Q305 WeakPolarHBondContact O-CG 3.45Å; E301-Q305 PolarHBondContact O-N 3.42Å; E301-Q305 PolarHBondContact OE1-NE2 2.99Å
302L89.9Confident88Confident99 Ų9989.1 Ų89.152%0.51845%0.447SS..Hα-helixtrans-63.9-38.1176.3-70.6174.8000112.4I298 I299 N304 Q305 L306I298-L302 HydrophobicContact CG2-CD1 3.8Å; I298-L302 HydrophobicContact CG2-CG 4.23Å; I298-L302 WeakPolarHBondContact O-CB 3.21Å; I298-L302 VanDerWaalsContact O-CG 3.27Å; I298-L302 WeakPolarHBondContact O-CG 3.34Å; I298-L302 PolarHBondContact O-N 3.48Å; I299-L302 PolarHBondContact O-N 3.37Å; L302-N304 VanDerWaalsContact C-N 3.34Å; L302-Q305 PolarHBondContact O-N 3.44Å; L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 PolarHBondContact O-N 3.02Å
303Q85.2Confident87.5Confident40 Ų4089.6 Ų89.619%0.18745%0.453CS..Hα-helixtrans-63.5-39.6174.2-75.9175.814.500111.8I299 V300 E301 L306 T307 S357 F358I299-Q303 HydrophobicContact CG2-CG 4.43Å; I299-Q303 WeakPolarHBondContact O-CB 3.35Å; I299-Q303 VanDerWaalsContact O-CG 3.31Å; I299-Q303 WeakPolarHBondContact O-CG 3.44Å; I299-Q303 PolarHBondContact O-N 2.99Å; V300-Q303 PolarHBondContact O-N 3.42Å; E301-Q303 VanDerWaalsContact C-N 3.35Å; E301-Q303 PolarHBondContact O-N 2.89Å; Q303-L306 PolarHBondContact O-N 3.33Å; Q303-T307 WeakPolarHBondContact O-CB 3.2Å; Q303-T307 PolarHBondContact O-N 2.98Å; Q303-T307 PolarHBondContact O-OG1 2.89Å; Q303-S357 PolarHBondContact OE1-OG 3.46Å; Q303-F358 VanDerWaalsContact NE2-N 3.14Å; Q303-F358 PolarHBondContact NE2-O 3.41Å; Q303-F358 PolarHBondContact OE1-O 3.43Å
304N86.8Confident86.8Confident90 Ų9088.4 Ų88.448%0.48145%0.45SS..Hα-helixtrans-64.4-47.9176.3-17432.9000111.2V300 E301 L302 L306 T307 V308V300-N304 PolarHBondContact O-N 3.11Å; E301-N304 WeakPolarHBondContact O-CB 3.2Å; E301-N304 PolarHBondContact O-N 3.13Å; L302-N304 VanDerWaalsContact C-N 3.34Å; N304-L306 VanDerWaalsContact C-N 3.32Å; N304-L306 PolarHBondContact O-N 2.95Å; N304-T307 WeakPolarHBondContact O-CB 3.4Å; N304-T307 PolarHBondContact O-N 2.95Å; N304-T307 VanDerWaalsContact O-N 3.1Å; N304-V308 WeakPolarHBondContact O-CG2 3.44Å; N304-V308 PolarHBondContact O-N 3.44Å
305Q90Very high86.1Confident95 Ų9590.1 Ų90.144%0.44445%0.451SS..Hα-helixtrans-58.7-43.1176.5-69.2177.314.500112.1E301 L302 T307 V308 L309E301-Q305 WeakPolarHBondContact O-CG 3.45Å; E301-Q305 PolarHBondContact O-N 3.42Å; E301-Q305 PolarHBondContact OE1-NE2 2.99Å; L302-Q305 PolarHBondContact O-N 3.44Å; Q305-T307 VanDerWaalsContact C-N 3.32Å; Q305-T307 PolarHBondContact O-N 3.42Å; Q305-V308 PolarHBondContact O-N 2.78Å; Q305-L309 WeakPolarHBondContact O-CG 3.27Å; Q305-L309 PolarHBondContact O-N 3.11Å
306L85Confident85.4Confident113 Ų11388.4 Ų88.459%0.59245%0.447SS*.Hα-helixtrans-62.7-39176-171.967.3000111.9L302 Q303 N304 L309 K310L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 PolarHBondContact O-N 3.02Å; Q303-L306 PolarHBondContact O-N 3.33Å; N304-L306 VanDerWaalsContact C-N 3.32Å; N304-L306 PolarHBondContact O-N 2.95Å; L306-L309 PolarHBondContact O-N 3.23Å; L306-K310 WeakPolarHBondContact O-CB 3.27Å; L306-K310 PolarHBondContact O-N 3.1Å
307T85.1Confident84.8Confident74 Ų7492 Ų9245%0.45446%0.458SS..Hα-helixtrans-65.4-43.1177.3-57.30000111.6Q303 N304 Q305 K310 N311Q303-T307 WeakPolarHBondContact O-CB 3.2Å; Q303-T307 PolarHBondContact O-N 2.98Å; Q303-T307 PolarHBondContact O-OG1 2.89Å; N304-T307 WeakPolarHBondContact O-CB 3.4Å; N304-T307 PolarHBondContact O-N 2.95Å; N304-T307 VanDerWaalsContact O-N 3.1Å; Q305-T307 VanDerWaalsContact C-N 3.32Å; Q305-T307 PolarHBondContact O-N 3.42Å; T307-K310 PolarHBondContact O-N 2.72Å; T307-N311 PolarHBondContact O-N 2.97Å; T307-N311 PolarHBondContact O-ND2 3.17Å
308V89.7Confident84.2Confident87 Ų8789.9 Ų89.953%0.52745%0.454SS..Hα-helixtrans-60.9-46.9175.4172.60000110.9N304 Q305 K310 N311 N312N304-V308 WeakPolarHBondContact O-CG2 3.44Å; N304-V308 PolarHBondContact O-N 3.44Å; Q305-V308 PolarHBondContact O-N 2.78Å; V308-K310 PolarHBondContact O-N 3.44Å; V308-N311 PolarHBondContact O-N 3.28Å; V308-N312 PolarHBondContact O-N 3.36Å
309L83.5Confident83.7Confident119 Ų11990.7 Ų90.762%0.62346%0.456SS*.Hα-helixtrans-61.8-43177.5-73172.6000112Q305 L306 N311 N312 D313Q305-L309 WeakPolarHBondContact O-CG 3.27Å; Q305-L309 PolarHBondContact O-N 3.11Å; L306-L309 PolarHBondContact O-N 3.23Å; L309-N311 PolarHBondContact O-N 3.4Å; L309-N312 WeakPolarHBondContact O-CB 3.34Å; L309-N312 PolarHBondContact O-N 3.35Å; L309-D313 PolarHBondContact O-N 3.36Å
310K79.4Confident83.1Confident88 Ų8893.9 Ų93.938%0.38347%0.473SS..Hα-helixtrans-60.1-43.7176.5-175.9-176.8177.8-172.90112L306 T307 V308 N312 D313 L314 E355L306-K310 WeakPolarHBondContact O-CB 3.27Å; L306-K310 PolarHBondContact O-N 3.1Å; T307-K310 PolarHBondContact O-N 2.72Å; V308-K310 PolarHBondContact O-N 3.44Å; K310-N312 VanDerWaalsContact C-N 3.33Å; K310-D313 PolarHBondContact O-N 3.24Å; K310-L314 WeakPolarHBondContact O-CB 3.41Å; K310-L314 PolarHBondContact O-N 2.99Å; K310-E355 IonicContact NZ-OE1 3.12Å
311N82.8Confident82.6Confident91 Ų9194.3 Ų94.349%0.48748%0.476SS..Hα-helixtrans-67.2-34.7177.6-73.8-27.1000112.3T307 V308 L309 R315T307-N311 PolarHBondContact O-N 2.97Å; T307-N311 PolarHBondContact O-ND2 3.17Å; V308-N311 PolarHBondContact O-N 3.28Å; L309-N311 PolarHBondContact O-N 3.4Å; N311-R315 WeakPolarHBondContact O-CB 3.32Å; N311-R315 PolarHBondContact O-N 3.33Å
312N84.6Confident81.7Confident97 Ų9793.1 Ų93.152%0.51948%0.478SS..Hα-helixtrans-65.5-50.4174.5-169.5-56.7000111.1V308 L309 K310 L314 R315 S316V308-N312 PolarHBondContact O-N 3.36Å; L309-N312 WeakPolarHBondContact O-CB 3.34Å; L309-N312 PolarHBondContact O-N 3.35Å; K310-N312 VanDerWaalsContact C-N 3.33Å; N312-L314 VanDerWaalsContact C-N 3.28Å; N312-L314 PolarHBondContact O-N 2.93Å; N312-R315 WeakPolarHBondContact O-CB 3.31Å; N312-R315 PolarHBondContact O-N 2.92Å; N312-R315 VanDerWaalsContact O-N 3.1Å; N312-S316 PolarHBondContact O-N 3.27Å; N312-S316 PolarHBondContact O-OG 3.46Å
313D80.3Confident81Confident86 Ų8693.9 Ų93.946%0.4648%0.479SS..Hα-helixtrans-54.4-46.4174.917871.2000111.3L309 K310 R315 S316 R317L309-D313 PolarHBondContact O-N 3.36Å; K310-D313 PolarHBondContact O-N 3.24Å; D313-R315 VanDerWaalsContact C-N 3.32Å; D313-R315 PolarHBondContact O-N 3.43Å; D313-S316 PolarHBondContact O-N 3.31Å; D313-R317 WeakPolarHBondContact O-CB 3.44Å; D313-R317 WeakPolarHBondContact O-CG 3.31Å; D313-R317 PolarHBondContact O-N 2.91Å; D313-R317 VanDerWaalsContact OD2-CD 3.27Å; D313-R317 WeakPolarHBondContact OD2-CD 3.49Å; D313-R317 IonicContact OD2-NH1 3.81Å
314L79.5Confident80.3Confident86 Ų8697.1 Ų97.145%0.4550%0.497SS..Hα-helixtrans-62.7-39.6179.8-163136000112.2K310 N312 R317 Q318K310-L314 WeakPolarHBondContact O-CB 3.41Å; K310-L314 PolarHBondContact O-N 2.99Å; N312-L314 VanDerWaalsContact C-N 3.28Å; N312-L314 PolarHBondContact O-N 2.93Å; L314-R317 PolarHBondContact O-N 3.37Å; L314-Q318 HydrophobicContact CD2-CG 4.42Å; L314-Q318 WeakPolarHBondContact O-CG 3.39Å; L314-Q318 PolarHBondContact O-N 3.48Å
315R78.6Confident79.5Confident159 Ų15997 Ų9760%0.650%0.5SS*.Hα-helixtrans-65.5-49.6174.6-173.1-174.5-60.4177.61111.5N311 N312 D313 R317 Q318 E319N311-R315 WeakPolarHBondContact O-CB 3.32Å; N311-R315 PolarHBondContact O-N 3.33Å; N312-R315 WeakPolarHBondContact O-CB 3.31Å; N312-R315 PolarHBondContact O-N 2.92Å; N312-R315 VanDerWaalsContact O-N 3.1Å; D313-R315 VanDerWaalsContact C-N 3.32Å; D313-R315 PolarHBondContact O-N 3.43Å; R315-R317 PolarHBondContact O-N 2.89Å; R315-Q318 WeakPolarHBondContact O-CB 3.31Å; R315-Q318 PolarHBondContact O-N 2.94Å; R315-Q318 VanDerWaalsContact O-N 3.09Å; R315-E319 HydrophobicContact CG-CG 4.5Å; R315-E319 WeakPolarHBondContact CG-OE1 3.38Å; R315-E319 WeakPolarHBondContact O-CG 3.45Å; R315-E319 PolarHBondContact O-N 3.47Å
316S77.6Confident78.3Confident55 Ų5598.5 Ų98.539%0.38551%0.511SS..Hα-helixtrans-59-36.5177.8-62.10000112N312 D313 L320N312-S316 PolarHBondContact O-N 3.27Å; N312-S316 PolarHBondContact O-OG 3.46Å; D313-S316 PolarHBondContact O-N 3.31Å; S316-L320 WeakPolarHBondContact O-CB 3.47Å; S316-L320 PolarHBondContact O-N 3.28Å
317R74.9Confident77.1Confident118 Ų11899.8 Ų99.845%0.44551%0.514SS..Hα-helixtrans-69.4-39.7174.7-69.817682.9132.510.2112.8D313 L314 R315 T321D313-R317 WeakPolarHBondContact O-CB 3.44Å; D313-R317 WeakPolarHBondContact O-CG 3.31Å; D313-R317 PolarHBondContact O-N 2.91Å; D313-R317 VanDerWaalsContact OD2-CD 3.27Å; D313-R317 WeakPolarHBondContact OD2-CD 3.49Å; D313-R317 IonicContact OD2-NH1 3.81Å; L314-R317 PolarHBondContact O-N 3.37Å; R315-R317 PolarHBondContact O-N 2.89Å; R317-T321 WeakPolarHBondContact O-CB 3.34Å; R317-T321 PolarHBondContact O-N 2.94Å; R317-T321 PolarHBondContact O-OG1 2.92Å
318Q77.6Confident75.8Confident121 Ų121106.1 Ų106.157%0.56553%0.53SS*.Hα-helixtrans-64-44.4174.2-77.4175.6-13.900111.4L314 R315 T321 A322L314-Q318 HydrophobicContact CD2-CG 4.42Å; L314-Q318 WeakPolarHBondContact O-CG 3.39Å; L314-Q318 PolarHBondContact O-N 3.48Å; R315-Q318 WeakPolarHBondContact O-CB 3.31Å; R315-Q318 PolarHBondContact O-N 2.94Å; R315-Q318 VanDerWaalsContact O-N 3.09Å; Q318-T321 PolarHBondContact O-N 2.97Å; Q318-A322 WeakPolarHBondContact O-CB 3.37Å; Q318-A322 PolarHBondContact O-N 3.38Å
319E80.3Confident74Confident101 Ų101106.9 Ų106.947%0.47254%0.536SS..Hα-helixtrans-59.4-48.8175.3-72.7170-174.700110.8R315 T321 A322 H323R315-E319 HydrophobicContact CG-CG 4.5Å; R315-E319 WeakPolarHBondContact CG-OE1 3.38Å; R315-E319 WeakPolarHBondContact O-CG 3.45Å; R315-E319 PolarHBondContact O-N 3.47Å; E319-T321 PolarHBondContact O-N 3.18Å; E319-A322 PolarHBondContact O-N 2.9Å; E319-H323 PolarHBondContact O-CD2 3.3Å; E319-H323 PolarHBondContact O-N 3.44Å
320L76.3Confident72.4Confident106 Ų106105.8 Ų105.856%0.55554%0.538SS*.Hα-helixtrans-59.4-44.5176.5-177.764.3000112.2S316 A322 H323 L324S316-L320 WeakPolarHBondContact O-CB 3.47Å; S316-L320 PolarHBondContact O-N 3.28Å; L320-A322 PolarHBondContact O-N 3.21Å; L320-H323 PolarHBondContact O-N 3.32Å; L320-L324 HydrophobicContact CD1-CD1 4.39Å; L320-L324 HydrophobicContact CD1-CG 4.45Å; L320-L324 HydrophobicContact CG-CD1 4.13Å; L320-L324 WeakPolarHBondContact O-CG 3.41Å; L320-L324 PolarHBondContact O-N 2.9Å
321T74.8Confident71Confident85 Ų85107 Ų10752%0.52156%0.556SS.*Hα-helixtrans-62.6-43.7178-540000110.9R317 Q318 E319 L324 T325R317-T321 WeakPolarHBondContact O-CB 3.34Å; R317-T321 PolarHBondContact O-N 2.94Å; R317-T321 PolarHBondContact O-OG1 2.92Å; Q318-T321 PolarHBondContact O-N 2.97Å; E319-T321 PolarHBondContact O-N 3.18Å; T321-L324 PolarHBondContact O-N 3.01Å; T321-T325 WeakPolarHBondContact O-CB 3.47Å; T321-T325 PolarHBondContact O-N 3.14Å; T321-T325 PolarHBondContact O-OG1 2.91Å
322A73.7Confident69.1Low46 Ų46110.1 Ų110.138%0.3857%0.572SS.*Hα-helixtrans-63-42.7176.300000111.5Q318 E319 L320 T325 N326Q318-A322 WeakPolarHBondContact O-CB 3.37Å; Q318-A322 PolarHBondContact O-N 3.38Å; E319-A322 PolarHBondContact O-N 2.9Å; L320-A322 PolarHBondContact O-N 3.21Å; A322-T325 PolarHBondContact O-N 3.39Å; A322-N326 VanDerWaalsContact O-CB 3.28Å; A322-N326 WeakPolarHBondContact O-CB 3.49Å; A322-N326 PolarHBondContact O-N 2.99Å; A322-N326 PolarHBondContact O-ND2 2.92Å; A322-N326 VanDerWaalsContact O-ND2 3.12Å
323H75.3Confident67.5Low115 Ų115110 Ų11053%0.53258%0.584SS.*Hα-helixtrans-61.9-45.5175.9-78.6-63.3000112.8E319 L320 N326 Q327E319-H323 PolarHBondContact O-CD2 3.3Å; E319-H323 PolarHBondContact O-N 3.44Å; L320-H323 PolarHBondContact O-N 3.32Å; H323-N326 PolarHBondContact O-N 3.24Å; H323-Q327 WeakPolarHBondContact O-CG 3.42Å; H323-Q327 PolarHBondContact O-N 2.83Å; H323-Q327 VanDerWaalsContact O-N 3.09Å
324L70.2Confident65.8Low108 Ų108114.3 Ų114.357%0.56561%0.606SS**Hα-helixtrans-64-41.2177.2-70.5171.4000111.7L320 T321 W328L320-L324 HydrophobicContact CD1-CD1 4.39Å; L320-L324 HydrophobicContact CD1-CG 4.45Å; L320-L324 HydrophobicContact CG-CD1 4.13Å; L320-L324 WeakPolarHBondContact O-CG 3.41Å; L320-L324 PolarHBondContact O-N 2.9Å; T321-L324 PolarHBondContact O-N 3.01Å; L324-W328 PolarHBondContact O-N 2.97Å
325T69.8Low64.3Low88 Ų88116.3 Ų116.354%0.5462%0.617SS.*Hα-helixtrans-67-37.8179.2-52.30000111.8T321 A322T321-T325 WeakPolarHBondContact O-CB 3.47Å; T321-T325 PolarHBondContact O-N 3.14Å; T321-T325 PolarHBondContact O-OG1 2.91Å; A322-T325 PolarHBondContact O-N 3.39Å
326N65.7Low62.7Low126 Ų126112.7 Ų112.767%0.67462%0.622SS**Hα-helixtrans-81.2-25.5-177-70-25.8000113.9A322 H323A322-N326 VanDerWaalsContact O-CB 3.28Å; A322-N326 WeakPolarHBondContact O-CB 3.49Å; A322-N326 PolarHBondContact O-N 2.99Å; A322-N326 PolarHBondContact O-ND2 2.92Å; A322-N326 VanDerWaalsContact O-ND2 3.12Å; H323-N326 PolarHBondContact O-N 3.24Å
327Q60Low61.2Low139 Ų139115.3 Ų115.365%0.6563%0.632SS**Hα-helixtrans-86.9-18.8178.8-73.5-171.231.600114H323H323-Q327 WeakPolarHBondContact O-CG 3.42Å; H323-Q327 PolarHBondContact O-N 2.83Å; H323-Q327 VanDerWaalsContact O-N 3.09Å
328W56.8Low59.9Low208 Ų208113.1 Ų113.179%0.78864%0.638SS**  trans-132.265.4-179.4-65.288.5000112L324 S330L324-W328 PolarHBondContact O-N 2.97Å; W328-S330 PolarHBondContact O-N 3.41Å
329P53.1Low58.6Low102 Ų102113.6 Ų113.666%0.66265%0.65SS**  trans-70.4103.8174.126.8-26.2000108.3P331P329-P331 VanDerWaalsContact O-CD 3.25Å; P329-P331 WeakPolarHBondContact O-CD 3.35Å
330S49.7Very low57.1Low96 Ų96111.8 Ų111.867%0.67165%0.652SS**  trans-65.4120.2175.9520000110.2W328W328-S330 PolarHBondContact O-N 3.41Å
331P49.6Very low55.8Low115 Ų115110.4 Ų110.475%0.74765%0.645SS**SBendtrans-78.3132.2165.1-4.624.3000108.5P329P329-P331 VanDerWaalsContact O-CD 3.25Å; P329-P331 WeakPolarHBondContact O-CD 3.35Å
332D42.8Very low54.5Low156 Ų156112.3 Ų112.383%0.83465%0.651SS**SBendtrans79.7108.4175.5-58-31.5000117.2
333A51.5Low53.4Low93 Ų93114.4 Ų114.477%0.76966%0.66SS**  trans-60.3131.4169.800000111.1
334L44.8Very low52.1Low177 Ų177113 Ų11393%0.92766%0.656SS**SBend-169.3-3.5128.6-100.3164.1000114.3
335D48Very low51Low128 Ų128112.6 Ų112.668%0.68465%0.654SS**  trans-146.953.1172-155.78.2000113.2N337D335-N337 PolarHBondContact O-N 3.42Å
336A44.9Very low49.9Very low84 Ų84116.8 Ų116.869%0.69466%0.661SS**THydrogen-bonded Turntrans-72.720.9-17900000114.2
337N45.5Very low49Very low110 Ų110118.6 Ų118.659%0.58866%0.658SS**THydrogen-bonded Turntrans-104.2-12.9178.6-79.4-26.3000113.3D335 V339 L341D335-N337 PolarHBondContact O-N 3.42Å; N337-V339 PolarHBondContact O-N 2.93Å; N337-L341 HydrophobicContact CB-CD1 3.89Å; N337-L341 WeakPolarHBondContact O-CB 3.46Å; N337-L341 WeakPolarHBondContact O-CD1 3.36Å; N337-L341 WeakPolarHBondContact O-CG 3.25Å; N337-L341 PolarHBondContact O-N 3.42Å
338A48.6Very low48.2Very low71 Ų71120.8 Ų120.859%0.58767%0.665SS**THydrogen-bonded Turntrans-72.9-31.8-166.200000115.8
339V48.8Very low47.4Very low132 Ų132115.6 Ų115.680%0.866%0.661SS**THydrogen-bonded Turntrans-99.8-30.8-172.1-174.90000112.9N337N337-V339 PolarHBondContact O-N 2.93Å
340A49Very low47Very low63 Ų63114.5 Ų114.552%0.52165%0.653SS.*Hα-helixtrans-78-21.2175.200000112.9L344A340-L344 WeakPolarHBondContact O-CG 3.41Å; A340-L344 PolarHBondContact O-N 3.5Å
341L49Very low46.6Very low77 Ų77112.8 Ų112.840%0.40365%0.65SS.*Hα-helixtrans-68.6-32.2-179.6-92.5170.4000113.1N337 T343 L344 L345N337-L341 HydrophobicContact CB-CD1 3.89Å; N337-L341 WeakPolarHBondContact O-CB 3.46Å; N337-L341 WeakPolarHBondContact O-CD1 3.36Å; N337-L341 WeakPolarHBondContact O-CG 3.25Å; N337-L341 PolarHBondContact O-N 3.42Å; L341-T343 PolarHBondContact O-N 2.93Å; L341-L344 CarbonylContact O-C 3.46Å; L341-L344 PolarHBondContact O-N 3.3Å; L341-L344 VanDerWaalsContact O-N 3.11Å; L341-L345 HydrophobicContact CB-CD1 4.24Å; L341-L345 HydrophobicContact CD2-CG 4.34Å; L341-L345 VanDerWaalsContact O-CB 3.28Å; L341-L345 WeakPolarHBondContact O-CB 3.4Å; L341-L345 WeakPolarHBondContact O-CG 3.39Å; L341-L345 PolarHBondContact O-N 2.94Å
342D47.4Very low46.2Very low124 Ų124116.1 Ų116.166%0.66366%0.656SS**Hα-helixtrans-69.4-36.2-174.6-153.747.4000112.2L344 L345 Y346D342-L344 VanDerWaalsContact C-N 3.34Å; D342-L344 PolarHBondContact O-N 3.31Å; D342-L345 PolarHBondContact O-N 3.27Å; D342-Y346 PolarHBondContact O-N 3.49Å
343T50.8Low46.4Very low91 Ų91118.7 Ų118.756%0.55865%0.654SS**Hα-helixtrans-71.7-28.1172.5-56.10000112.4L341L341-T343 PolarHBondContact O-N 2.93Å
344L48.5Very low46.3Very low85 Ų85120.8 Ų120.845%0.44565%0.648SS.*Hα-helixtrans-85.9-21.3176.3-73.2173000113.7A340 L341 D342 R347A340-L344 WeakPolarHBondContact O-CG 3.41Å; A340-L344 PolarHBondContact O-N 3.5Å; L341-L344 CarbonylContact O-C 3.46Å; L341-L344 PolarHBondContact O-N 3.3Å; L341-L344 VanDerWaalsContact O-N 3.11Å; D342-L344 VanDerWaalsContact C-N 3.34Å; D342-L344 PolarHBondContact O-N 3.31Å; L344-R347 WeakPolarHBondContact O-CB 3.43Å
345L47.2Very low46.7Very low100 Ų100120.5 Ų120.552%0.52464%0.642SS.*Hα-helixtrans-80.4-35176.2-75.4169.3000110.9L341 D342 R347 K348L341-L345 HydrophobicContact CB-CD1 4.24Å; L341-L345 HydrophobicContact CD2-CG 4.34Å; L341-L345 VanDerWaalsContact O-CB 3.28Å; L341-L345 WeakPolarHBondContact O-CB 3.4Å; L341-L345 WeakPolarHBondContact O-CG 3.39Å; L341-L345 PolarHBondContact O-N 2.94Å; D342-L345 PolarHBondContact O-N 3.27Å; L345-R347 PolarHBondContact O-N 3.31Å; L345-K348 WeakPolarHBondContact O-CB 3.32Å; L345-K348 PolarHBondContact O-N 2.88Å
346Y45.2Very low47.2Very low175 Ų175119.4 Ų119.469%0.68663%0.631SS**Hα-helixtrans-61.6-32168.8-151.5-89.5000112.1D342 K348 S349 T350D342-Y346 PolarHBondContact O-N 3.49Å; Y346-K348 PolarHBondContact O-N 3.27Å; Y346-S349 PolarHBondContact O-N 3.39Å; Y346-T350 PolarHBondContact O-OG1 2.9Å
347R47.2Very low47.9Very low164 Ų164119.3 Ų119.362%0.61963%0.625SS**Hα-helixtrans-62.1-23.4172.7165.5-170.2-97.4-174.5-6113.1L344 L345L344-R347 WeakPolarHBondContact O-CB 3.43Å; L345-R347 PolarHBondContact O-N 3.31Å
348K43.3Very low49Very low185 Ų185116.1 Ų116.180%0.80461%0.606SS**Hα-helixtrans-80.9-18.8178.9-160.3174.9179.9-178.30112.9L345 Y346L345-K348 WeakPolarHBondContact O-CB 3.32Å; L345-K348 PolarHBondContact O-N 2.88Å; Y346-K348 PolarHBondContact O-N 3.27Å
349S40.7Very low49.8Very low99 Ų99120.2 Ų120.269%0.69261%0.613SS**Hα-helixtrans-88.3-33.2180169.50000113.4Y346Y346-S349 PolarHBondContact O-N 3.39Å
350T44Very low50.7Low80 Ų80115.2 Ų115.249%0.49158%0.584SS.*SBendtrans-95.5104.9172.643.10000108.6Y346Y346-T350 PolarHBondContact O-OG1 2.9Å
351G41.1Very low51.5Low60 Ų60115.2 Ų115.262%0.61958%0.575SS**  trans-43.4144-176.400000113.6W353G351-W353 PolarHBondContact O-N 3.48Å
352Q41.5Very low52.6Low185 Ų185117.3 Ų117.386%0.86458%0.582SS**  trans-44.1115.2170.3-169.8168.4200108.7E354Q352-E354 VanDerWaalsContact C-N 3.28Å; Q352-E354 PolarHBondContact O-N 2.95Å
353W46.7Very low53.6Low210 Ų210115.7 Ų115.780%0.79557%0.571SS**  trans-58.195.7174.4-6691.8000107.7G351 E355G351-W353 PolarHBondContact O-N 3.48Å; W353-E355 PolarHBondContact O-N 3.1Å; W353-E355 VanDerWaalsContact O-N 3.17Å
354E49.6Very low54.1Low136 Ų136113.2 Ų113.264%0.63655%0.554SS**  trans-58.1121.3179.6-88.3-170.8154.700108.4Q352 K356Q352-E354 VanDerWaalsContact C-N 3.28Å; Q352-E354 PolarHBondContact O-N 2.95Å; E354-K356 PolarHBondContact O-N 3.23Å; E354-K356 IonicContact OE1-NZ 3.84Å; E354-K356 VanDerWaalsContact OE2-CE 3.28Å; E354-K356 WeakPolarHBondContact OE2-CE 3.42Å; E354-K356 IonicContact OE2-NZ 2.72Å; E354-K356 PolarHBondContact OE2-NZ 3.32Å
355E53.2Low54.8Low172 Ų172112.4 Ų112.480%0.80456%0.555SS**  trans-76.579.2-179.6-167.2159.9-127.100109K310 W353K310-E355 IonicContact NZ-OE1 3.12Å; W353-E355 PolarHBondContact O-N 3.1Å; W353-E355 VanDerWaalsContact O-N 3.17Å
356K59.8Low55.5Low104 Ų104110 Ų11045%0.45255%0.55SS.*  trans-10697.6172.5-71.7174174.7158.70108.5E354 F358E354-K356 PolarHBondContact O-N 3.23Å; E354-K356 IonicContact OE1-NZ 3.84Å; E354-K356 VanDerWaalsContact OE2-CE 3.28Å; E354-K356 WeakPolarHBondContact OE2-CE 3.42Å; E354-K356 IonicContact OE2-NZ 2.72Å; E354-K356 PolarHBondContact OE2-NZ 3.32Å; K356-F358 HydrophobicContact CB-CD2 4.44Å; K356-F358 HydrophobicContact CB-CE1 4.25Å; K356-F358 HydrophobicContact CB-CE2 3.63Å; K356-F358 HydrophobicContact CB-CZ 3.53Å; K356-F358 HydrophobicContact CD-CZ 4.15Å; K356-F358 HydrophobicContact CG-CZ 4.37Å; K356-F358 WeakPolarHBondContact O-CD2 3.48Å; K356-F358 WeakPolarHBondContact O-CE2 3.49Å
357S58.7Low56.1Low82 Ų82102.5 Ų102.557%0.57353%0.526SS*.  trans-81.3130.9164.4175.60000108.4Q303Q303-S357 PolarHBondContact OE1-OG 3.46Å
358F69.1Low56.6Low44 Ų44101.2 Ų101.219%0.19353%0.529CS..  trans-117.2124.4178-54.4-88.3000109.9Q303 K356 Q363 L364Q303-F358 VanDerWaalsContact NE2-N 3.14Å; Q303-F358 PolarHBondContact NE2-O 3.41Å; Q303-F358 PolarHBondContact OE1-O 3.43Å; K356-F358 HydrophobicContact CB-CD2 4.44Å; K356-F358 HydrophobicContact CB-CE1 4.25Å; K356-F358 HydrophobicContact CB-CE2 3.63Å; K356-F358 HydrophobicContact CB-CZ 3.53Å; K356-F358 HydrophobicContact CD-CZ 4.15Å; K356-F358 HydrophobicContact CG-CZ 4.37Å; K356-F358 WeakPolarHBondContact O-CD2 3.48Å; K356-F358 WeakPolarHBondContact O-CE2 3.49Å; F358-Q363 HydrophobicContact CB-CB 4.43Å; F358-Q363 HydrophobicContact CD1-CB 3.95Å; F358-Q363 WeakPolarHBondContact CD1-O 3.41Å; F358-Q363 WeakPolarHBondContact CE1-O 3.48Å; F358-L364 HydrophobicContact CB-CD1 4.35Å; F358-L364 HydrophobicContact CB-CD2 3.64Å; F358-L364 HydrophobicContact CB-CG 3.6Å; F358-L364 HydrophobicContact CD1-CD2 3.97Å; F358-L364 HydrophobicContact CD1-CG 4.15Å; F358-L364 HydrophobicContact CD2-CD2 3.26Å; F358-L364 HydrophobicContact CD2-CG 4.18Å; F358-L364 HydrophobicContact CE1-CD2 4.41Å; F358-L364 HydrophobicContact CE2-CD2 3.77Å; F358-L364 HydrophobicContact CG-CD2 3.35Å; F358-L364 HydrophobicContact CG-CG 3.74Å; F358-L364 HydrophobicContact CZ-CD2 4.3Å
359Q65.8Low56.6Low156 Ų15696 Ų9673%0.72952%0.515SS*.SBendtrans-98.6-5-178.1-64.5-177.3-5.900113.1
360S67.9Low56.7Low27 Ų2797.6 Ų97.619%0.18952%0.515CS..SBendtrans-151155.6175.8175.50000112.1E296 E362 Q363 L364E296-S360 PolarHBondContact OE1-OG 3.01Å; S360-E362 PolarHBondContact O-N 3.36Å; S360-E362 PolarHBondContact OG-N 2.91Å; S360-Q363 PolarHBondContact O-N 3.33Å; S360-Q363 VanDerWaalsContact O-N 3.11Å; S360-L364 PolarHBondContact O-N 3.42Å
361L65.3Low56.6Low63 Ų6397.7 Ų97.733%0.3352%0.516SS..Hα-helixtrans-58-29.6175-138.496.9000112.8L295 E296 I299 L364 S365L295-L361 HydrophobicContact CB-CD1 3.98Å; E296-L361 HydrophobicContact CG-CB 4.17Å; E296-L361 HydrophobicContact CG-CD1 4.22Å; E296-L361 PolarHBondContact OE1-N 3.49Å; E296-L361 VanDerWaalsContact OE1-N 3.1Å; I299-L361 HydrophobicContact CD1-CD1 3.61Å; L361-L364 PolarHBondContact O-N 3.01Å; L361-S365 PolarHBondContact O-N 3.47Å
362E71Confident56.4Low121 Ų12199.1 Ų99.157%0.56552%0.517SS*.Hα-helixtrans-71.1-34.2178-73.1161.6-152.700112.2K292 S360 S365 A366K292-E362 IonicContact NZ-OE1 3.98Å; K292-E362 PolarHBondContact NZ-OE1 3.46Å; S360-E362 PolarHBondContact O-N 3.36Å; S360-E362 PolarHBondContact OG-N 2.91Å; E362-S365 PolarHBondContact O-OG 3.34Å; E362-S365 VanDerWaalsContact O-OG 3.09Å; E362-A366 WeakPolarHBondContact O-CB 3.43Å; E362-A366 PolarHBondContact O-N 3.44Å; E362-A366 VanDerWaalsContact O-N 3.15Å
363Q68.2Low56Low91 Ų9197.2 Ų97.243%0.42551%0.512SS..Hα-helixtrans-71.3-35.2175.5-63.8178.4-15.300111.1F358 S360 G367F358-Q363 HydrophobicContact CB-CB 4.43Å; F358-Q363 HydrophobicContact CD1-CB 3.95Å; F358-Q363 WeakPolarHBondContact CD1-O 3.41Å; F358-Q363 WeakPolarHBondContact CE1-O 3.48Å; S360-Q363 PolarHBondContact O-N 3.33Å; S360-Q363 VanDerWaalsContact O-N 3.11Å; Q363-G367 PolarHBondContact O-N 2.99Å
364L62Low55.3Low38 Ų3892.7 Ų92.720%0.19951%0.508CS..Hα-helixtrans-65.1-46.5173.9-73.1159.9000111.8I299 F358 S360 L361 A366 G367 M368I299-L364 HydrophobicContact CB-CD1 4.43Å; I299-L364 HydrophobicContact CD1-CD1 3.28Å; I299-L364 HydrophobicContact CG1-CD1 4.02Å; I299-L364 HydrophobicContact CG2-CD1 3.78Å; F358-L364 HydrophobicContact CB-CD1 4.35Å; F358-L364 HydrophobicContact CB-CD2 3.64Å; F358-L364 HydrophobicContact CB-CG 3.6Å; F358-L364 HydrophobicContact CD1-CD2 3.97Å; F358-L364 HydrophobicContact CD1-CG 4.15Å; F358-L364 HydrophobicContact CD2-CD2 3.26Å; F358-L364 HydrophobicContact CD2-CG 4.18Å; F358-L364 HydrophobicContact CE1-CD2 4.41Å; F358-L364 HydrophobicContact CE2-CD2 3.77Å; F358-L364 HydrophobicContact CG-CD2 3.35Å; F358-L364 HydrophobicContact CG-CG 3.74Å; F358-L364 HydrophobicContact CZ-CD2 4.3Å; S360-L364 PolarHBondContact O-N 3.42Å; L361-L364 PolarHBondContact O-N 3.01Å; L364-A366 PolarHBondContact O-N 3.38Å; L364-G367 PolarHBondContact O-N 3.21Å; L364-M368 WeakPolarHBondContact O-CG 3.45Å; L364-M368 PolarHBondContact O-N 3.45Å
365S63.6Low54.5Low68 Ų6895.5 Ų95.548%0.47652%0.521SS..Hα-helixtrans-66.1-38.9-178.474.10000112.4L361 E362 M368 S369L361-S365 PolarHBondContact O-N 3.47Å; E362-S365 PolarHBondContact O-OG 3.34Å; E362-S365 VanDerWaalsContact O-OG 3.09Å; S365-M368 PolarHBondContact O-N 3.35Å; S365-S369 PolarHBondContact O-N 3.49Å; S365-S369 PolarHBondContact O-OG 3.24Å
366A61.4Low53.3Low50 Ų5090.6 Ų90.641%0.41352%0.517SS..Hα-helixtrans-65-40.7173.700000111.9E362 L364 S369 L370E362-A366 WeakPolarHBondContact O-CB 3.43Å; E362-A366 PolarHBondContact O-N 3.44Å; E362-A366 VanDerWaalsContact O-N 3.15Å; L364-A366 PolarHBondContact O-N 3.38Å; A366-S369 PolarHBondContact O-N 3.04Å; A366-L370 WeakPolarHBondContact O-CG 3.28Å; A366-L370 PolarHBondContact O-N 3.01Å; A366-L370 VanDerWaalsContact O-N 3.1Å
367G57.6Low52.2Low17 Ų1795.7 Ų95.718%0.17554%0.539CS..Hα-helixtrans-64.6-37.9175.500000113.8Q363 L364 T371Q363-G367 PolarHBondContact O-N 2.99Å; L364-G367 PolarHBondContact O-N 3.21Å; G367-T371 PolarHBondContact O-N 2.69Å; G367-T371 PolarHBondContact O-OG1 3.39Å
368M57.8Low50.7Low138 Ų138100.7 Ų100.768%0.6855%0.554SS**Hα-helixtrans-69.8-36.8174.5-71-17573.800112.4L364 S365 T371 S372L364-M368 WeakPolarHBondContact O-CG 3.45Å; L364-M368 PolarHBondContact O-N 3.45Å; S365-M368 PolarHBondContact O-N 3.35Å; M368-T371 WeakPolarHBondContact CA-OG1 3.39Å; M368-T371 PolarHBondContact O-N 2.95Å; M368-T371 PolarHBondContact O-OG1 2.87Å; M368-S372 PolarHBondContact O-N 2.72Å
369S44Very low49Very low74 Ų74107.8 Ų107.852%0.51759%0.587SS.*Hα-helixtrans-66.8-38.3177.2-610000111.9S365 A366 S372S365-S369 PolarHBondContact O-N 3.49Å; S365-S369 PolarHBondContact O-OG 3.24Å; A366-S369 PolarHBondContact O-N 3.04Å; S369-S372 PolarHBondContact O-N 2.98Å; S369-S372 PolarHBondContact O-OG 3.01Å
370L43.5Very low47.4Very low133 Ų133106.8 Ų106.870%0.69659%0.592SS**Hα-helixtrans-68.7-32.9177.2-76.1161.2000113.4A366A366-L370 WeakPolarHBondContact O-CG 3.28Å; A366-L370 PolarHBondContact O-N 3.01Å; A366-L370 VanDerWaalsContact O-N 3.1Å
371T41.4Very low46.1Very low83 Ų83111.2 Ų111.251%0.50962%0.62SS.*Hα-helixtrans-78.9-18.7178.7450000113.3G367 M368 N373 T374G367-T371 PolarHBondContact O-N 2.69Å; G367-T371 PolarHBondContact O-OG1 3.39Å; M368-T371 WeakPolarHBondContact CA-OG1 3.39Å; M368-T371 PolarHBondContact O-N 2.95Å; M368-T371 PolarHBondContact O-OG1 2.87Å; T371-N373 VanDerWaalsContact C-N 3.34Å; T371-T374 PolarHBondContact O-OG1 3Å
372S36.3Very low44.9Very low90 Ų90113.5 Ų113.563%0.62964%0.641SS**THydrogen-bonded Turntrans-77.5-12.8175.671.10000115M368 S369M368-S372 PolarHBondContact O-N 2.72Å; S369-S372 PolarHBondContact O-N 2.98Å; S369-S372 PolarHBondContact O-OG 3.01Å
373N32.7Very low43.3Very low144 Ų144115.7 Ų115.777%0.7766%0.656SS**THydrogen-bonded Turntrans-98.4-0.3-177.1-89.4-0000115T371 Q375T371-N373 VanDerWaalsContact C-N 3.34Å; N373-Q375 PolarHBondContact O-N 2.99Å
374T32.4Very low42.2Very low115 Ų115123.7 Ų123.771%0.70668%0.682SS**  trans-99.280.6174.551.50000110.5T371 G376T371-T374 PolarHBondContact O-OG1 3Å; T374-G376 PolarHBondContact O-N 2.96Å
375Q32.7Very low41.4Very low195 Ų195124.5 Ų124.591%0.91170%0.699SS**  trans-87.794171.7-162.1162.911.400109.7N373N373-Q375 PolarHBondContact O-N 2.99Å
376G28.3Very low40.3Very low70 Ų70129.6 Ų129.672%0.72272%0.72SS**  trans-105.2121.8162.900000109.2T374 E378T374-G376 PolarHBondContact O-N 2.96Å; G376-E378 PolarHBondContact O-N 2.79Å
377K35.9Very low39.1Very low210 Ų210133.5 Ų133.591%0.91374%0.743SS**  trans-54.9127.2178.2-72.4170.9172.2176.30111.6
378E27.9Very low37.9Very low188 Ų188136.2 Ų136.288%0.87977%0.771SS**  trans-151.3123.9145.1-118.5172-168.200109.5G376G376-E378 PolarHBondContact O-N 2.79Å
379E33.7Very low36.8Very low193 Ų193134.2 Ų134.290%0.90277%0.771SS**  trans-75.5123174.1-66.7-173.3156.600109.1
380T31.6Very low36.3Very low134 Ų134139.2 Ų139.282%0.82279%0.791SS**  trans-152.2138.9146.511.90000109.4
381P41.8Very low35.9Very low121 Ų121138.1 Ų138.179%0.78679%0.79SS**  trans-85.9159.5-166.934.8-33.2000112.1
382S39.1Very low35.4Very low110 Ų110139.6 Ų139.677%0.76980%0.804SS**  trans74.495.6166.31780000117
383L37.3Very low35.3Very low167 Ų167141 Ų14187%0.87481%0.808SS**  -165.669.4120.6-95.9167.9000108.3G385L383-G385 PolarHBondContact O-N 3.35Å
384R44.7Very low35.1Very low260 Ų260138.2 Ų138.298%0.98181%0.805SS**  trans-74.5102161.8-94.8-171.9176.1-176.40.1107.4
385G45.2Very low34.9Very low54 Ų54137.8 Ų137.856%0.55781%0.807SS**  trans148.585169.700000110.7L383L383-G385 PolarHBondContact O-N 3.35Å
386L41.6Very low34.9Very low175 Ų175138.5 Ų138.592%0.91680%0.803SS**  trans164.560.1150.3-86.5156.2000109.4
387C35.3Very low35.1Very low133 Ų133144.7 Ų144.790%0.89981%0.81SS**  trans-115.486.1147.2-72.10000105.7S389C387-S389 PolarHBondContact O-N 3.1Å; C387-S389 VanDerWaalsContact O-N 3.08Å
388G33.5Very low34.8Very low73 Ų73139.5 Ų139.575%0.75380%0.8SS**  trans-62.5105.6162.800000107.1L390G388-L390 PolarHBondContact O-N 2.99Å
389S33.7Very low34.9Very low97 Ų97138.4 Ų138.468%0.67880%0.799SS**  trans-51.6128.5170.8-152.30000108.8C387 T391C387-S389 PolarHBondContact O-N 3.1Å; C387-S389 VanDerWaalsContact O-N 3.08Å; S389-T391 PolarHBondContact O-N 2.98Å
390L34.6Very low34.6Very low179 Ų179133.6 Ų133.694%0.93779%0.792SS**  trans-65.676.5164.1-85.8154.9000108.4G388G388-L390 PolarHBondContact O-N 2.99Å
391T34.1Very low34.4Very low110 Ų110132.2 Ų132.268%0.67579%0.788SS**  trans-124.276.7161.752.80000106.7S389 V393S389-T391 PolarHBondContact O-N 2.98Å; T391-V393 VanDerWaalsContact C-N 3.29Å; T391-V393 PolarHBondContact O-N 2.97Å
392S32Very low33.7Very low114 Ų114134.1 Ų134.180%0.79779%0.791SS**  trans-69.592.7164.2175.80000108.6A394S392-A394 PolarHBondContact O-N 3.09Å
393V33.1Very low33.5Very low118 Ų118139.8 Ų139.872%0.71580%0.795SS**  trans31.890.4131.7-168.80000115.7T391 S395T391-V393 VanDerWaalsContact C-N 3.29Å; T391-V393 PolarHBondContact O-N 2.97Å; V393-S395 PolarHBondContact O-N 2.87Å
394A29.5Very low33Very low87 Ų87137.3 Ų137.372%0.71979%0.792SS**  trans-81.697.7148.800000107.7S392 Y396S392-A394 PolarHBondContact O-N 3.09Å; A394-Y396 PolarHBondContact O-N 3.43Å
395S28.5Very low32.4Very low106 Ų106129.8 Ų129.874%0.74178%0.779SS**  trans-69.7111.1174-174.40000109.8V393V393-S395 PolarHBondContact O-N 2.87Å
396Y32.8Very low31.7Very low209 Ų209136.2 Ų136.282%0.8279%0.794SS**  trans-95.1121.5162.4-82.7-88.3000109.7A394A394-Y396 PolarHBondContact O-N 3.43Å
397K31.5Very low31.2Very low201 Ų201133.6 Ų133.687%0.87479%0.789SS**  trans161.1122.5150.9-91162.6-175.7-1760106.6
398S28.9Very low31Very low100 Ų100135.2 Ų135.270%0.69979%0.789SS**  cis-151.514028-93.20000109
399L31.3Very low30.8Very low166 Ų166136.5 Ų136.587%0.86979%0.792SS**  48.2130.492.2-61.9174.2000112.8
400A26.4Very low30.6Very low91 Ų91136.9 Ų136.975%0.75279%0.794SS**  cis-167.2171.227.400000110.9
401S28Very low30.5Very low105 Ų105134.3 Ų134.373%0.73479%0.789SS**  trans83.9101.5156.7-164.70000117.2
402L27.3Very low30.4Very low161 Ų161133.6 Ų133.684%0.84379%0.793SS**  -150.9104.5112.1-95.4164.5000108.1S404L402-S404 PolarHBondContact O-N 3.02Å
403R33.9Very low30.6Very low230 Ų230134.2 Ų134.287%0.86879%0.793SS**  trans-63.5122.6155.7-76.4-177.9172.2176.40.5106.7
404S27.5Very low30.4Very low115 Ų115137.7 Ų137.780%0.80480%0.801SS**  trans-104.989.9153.1-68.60000108L402L402-S404 PolarHBondContact O-N 3.02Å
405S32.7Very low30.7Very low101 Ų101140.6 Ų140.671%0.70680%0.803SS**  trans-73.4111.1147.445.10000107.1
406E30Very low30.8Very low189 Ų189141.2 Ų141.288%0.88381%0.807SS**  trans-135.7114.9154.1-108.7168.1-166.400108.8
407C31.7Very low30.9Very low120 Ų120135.8 Ų135.881%0.81180%0.8SS**PPolyproline II helixtrans-69.1142.9179.6-60.70000109.3A409C407-A409 PolarHBondContact O-N 3.25Å
408L30Very low31.2Very low168 Ų168132.1 Ų132.188%0.8880%0.797SS**PPolyproline II helixtrans-57.6117.4156.8-69.5165.7000108.2S410L408-S410 PolarHBondContact O-N 2.87Å
409A28.9Very low31.2Very low99 Ų99131 Ų13182%0.81880%0.802SS**PPolyproline II helixtrans-68.7118.816400000108.1C407C407-A409 PolarHBondContact O-N 3.25Å
410S30.8Very low31.5Very low105 Ų105130.1 Ų130.173%0.73480%0.802SS**PPolyproline II helixtrans-76.9142.8160.7-57.70000108.6L408 A412L408-S410 PolarHBondContact O-N 2.87Å; S410-A412 PolarHBondContact O-N 3.09Å; S410-A412 VanDerWaalsContact O-N 3.17Å
411P31.5Very low32.1Very low126 Ų126132 Ų13282%0.81881%0.805SS**  trans-75107.6174.429.7-28.9000108.5
412A31.6Very low33Very low94 Ų94132.4 Ų132.478%0.77781%0.805SS**  trans-88.5112.316200000107.7S410 E414S410-A412 PolarHBondContact O-N 3.09Å; S410-A412 VanDerWaalsContact O-N 3.17Å; A412-E414 PolarHBondContact O-N 3.12Å
413T36.9Very low33.5Very low128 Ų128134.2 Ų134.279%0.78583%0.831SS**  trans-69100.5171.3-28.90000108.4
414E29.4Very low33.4Very low190 Ų190129.4 Ų129.489%0.88883%0.829SS**  trans-106.5111.6161.2-82.4-166.5170.900109.4A412 S416A412-E414 PolarHBondContact O-N 3.12Å; E414-S416 PolarHBondContact O-N 2.94Å
415I36.1Very low33.7Very low149 Ų149130.2 Ų130.276%0.76483%0.83SS**  trans-78.9109.6176.4-55.7157.7000105.9
416S29.5Very low33.8Very low118 Ų118131.8 Ų131.883%0.82584%0.837SS**  trans-105.697.4167.81790000109.1E414E414-S416 PolarHBondContact O-N 2.94Å
417S34.8Very low34Very low96 Ų96128.4 Ų128.467%0.67184%0.835SS**PPolyproline II helixtrans-72136.2166.7-55.70000110.3
418P38Very low34.2Very low123 Ų123128.9 Ų128.980%0.79984%0.836SS**PPolyproline II helixtrans-80.7124.6166.530.3-27.2000109.5
419G29.5Very low34.4Very low78 Ų78126.3 Ų126.380%0.80483%0.833SS**PPolyproline II helixtrans-69.2139.4175.600000112.4
420V37.3Very low34.8Very low146 Ų146128.3 Ų128.389%0.88583%0.834SS**  trans-111119.2160.8176.60000106.8
421T39Very low35.2Very low130 Ų130130.1 Ų130.180%0.79884%0.842SS**  trans-82.8166.4173.329.10000112.1
422P46.3Very low35.5Very low115 Ų115130.4 Ų130.475%0.74784%0.844SS**  trans-98.4158.4-144.737.4-34.3000114.9
423S37.2Very low35.8Very low198 Ų198133.7 Ų133.7100%1.38585%0.85SS**  trans-156.30143.4-72.30000109

Retrieved 423 of 423 residues in 1123 ms (Link to these results)

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