A0A087XRU6_POEFO Loading...

Heparan-sulfate 6-O-sulfotransferase

6-O-sulfation enzyme which catalyzes the transfer of sulfate from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to position 6 of the N-sulfoglucosamine residue (GlcNS) of heparan sulfate.

AlphaFold DB , UniProt , Accession A0A087XRU6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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
1M45.4Very low58.4Low231 Ų231130.3 Ų130.3100%1.13865%0.654SS**  075.60-89.8178.8166.400104.7
2D54.5Low60Low133 Ų133127.2 Ų127.271%0.71164%0.64SS**  trans-133.425.8-161.3-68.2-75.3000112.7T6D2-T6 PolarHBondContact O-OG1 3.14Å
3E49Very low61.2Low177 Ų177126.5 Ų126.583%0.82764%0.639SS**SBendtrans-95.2-20.8174.7-88.3-176.5115.100113.5T6E3-T6 PolarHBondContact O-OG1 3.46Å
4K50.4Low62.4Low193 Ų193125.2 Ų125.284%0.83963%0.634SS**Hα-helixtrans-80-27.4-179.9-91.5-178.3175.8177.10113.7S8K4-S8 PolarHBondContact O-N 3.17Å
5S52.6Low63.6Low70 Ų70125.7 Ų125.749%0.4963%0.63SS.*Hα-helixtrans-75.7-42.7-177.6-168.50000112.1S7 S8 H9S5-S7 PolarHBondContact O-N 3.48Å; S5-S8 PolarHBondContact O-N 3.46Å; S5-H9 PolarHBondContact O-CD2 3.44Å; S5-H9 VanDerWaalsContact O-CD2 3.28Å; S5-H9 PolarHBondContact O-N 3.09Å; S5-H9 VanDerWaalsContact O-N 3.12Å
6T54.1Low64.8Low84 Ų84124.1 Ų124.152%0.51562%0.623SS.*Hα-helixtrans-62.9-40.7177.521.60000112.5D2 E3 S8 H9 Q10D2-T6 PolarHBondContact O-OG1 3.14Å; E3-T6 PolarHBondContact O-OG1 3.46Å; T6-S8 PolarHBondContact O-N 3.5Å; T6-H9 PolarHBondContact O-N 3.06Å; T6-Q10 WeakPolarHBondContact O-CB 3.42Å; T6-Q10 PolarHBondContact O-N 3.45Å
7S59.8Low65.9Low52 Ų52123.2 Ų123.236%0.36462%0.621SS.*Hα-helixtrans-65-37.6177-176.90000113.1S5 R11S5-S7 PolarHBondContact O-N 3.48Å; S7-R11 WeakPolarHBondContact O-CB 3.22Å; S7-R11 VanDerWaalsContact O-CG 3.26Å; S7-R11 WeakPolarHBondContact O-CG 3.44Å; S7-R11 PolarHBondContact O-N 3.17Å; S7-R11 VanDerWaalsContact O-N 3.08Å
8S62.1Low66.8Low76 Ų76123.6 Ų123.653%0.53162%0.621SS.*Hα-helixtrans-69.5-43.9177.5-1760000111.8K4 S5 T6 Q10 R11 L12K4-S8 PolarHBondContact O-N 3.17Å; S5-S8 PolarHBondContact O-N 3.46Å; T6-S8 PolarHBondContact O-N 3.5Å; S8-Q10 VanDerWaalsContact C-N 3.34Å; S8-Q10 PolarHBondContact O-N 3.46Å; S8-R11 PolarHBondContact O-N 3.44Å; S8-L12 WeakPolarHBondContact O-CB 3.36Å; S8-L12 PolarHBondContact O-N 3.31Å
9H69.7Low67.6Low109 Ų109121.2 Ų121.251%0.50561%0.614SS.*Hα-helixtrans-64.2-38.6176.3-78.3-56.3000112.7S5 T6 L12 L13S5-H9 PolarHBondContact O-CD2 3.44Å; S5-H9 VanDerWaalsContact O-CD2 3.28Å; S5-H9 PolarHBondContact O-N 3.09Å; S5-H9 VanDerWaalsContact O-N 3.12Å; T6-H9 PolarHBondContact O-N 3.06Å; H9-L12 PolarHBondContact O-N 3.5Å; H9-L13 WeakPolarHBondContact O-CB 3.45Å; H9-L13 WeakPolarHBondContact O-CG 3.42Å; H9-L13 PolarHBondContact O-N 3.24Å
10Q71.2Confident68.3Low129 Ų129118.1 Ų118.160%0.60361%0.607SS**Hα-helixtrans-69.1-36.2178.5-157.8166.5-4.300111.9T6 S8 L14T6-Q10 WeakPolarHBondContact O-CB 3.42Å; T6-Q10 PolarHBondContact O-N 3.45Å; S8-Q10 VanDerWaalsContact C-N 3.34Å; S8-Q10 PolarHBondContact O-N 3.46Å; Q10-L14 WeakPolarHBondContact O-CB 3.48Å; Q10-L14 WeakPolarHBondContact O-CG 3.43Å; Q10-L14 PolarHBondContact O-N 3.38Å
11R73.8Confident68.9Low179 Ų179115.4 Ų115.468%0.67560%0.597SS**Hα-helixtrans-68-38.1171.7-72.5174.7-172.8-158.8-0.2112.5S7 S8 L14 F15S7-R11 WeakPolarHBondContact O-CB 3.22Å; S7-R11 VanDerWaalsContact O-CG 3.26Å; S7-R11 WeakPolarHBondContact O-CG 3.44Å; S7-R11 PolarHBondContact O-N 3.17Å; S7-R11 VanDerWaalsContact O-N 3.08Å; S8-R11 PolarHBondContact O-N 3.44Å; R11-L14 PolarHBondContact O-N 3.04Å; R11-F15 WeakPolarHBondContact O-CB 3.33Å; R11-F15 PolarHBondContact O-N 2.99Å
12L77.2Confident70.7Confident93 Ų93110.7 Ų110.749%0.48757%0.57SS.*Hα-helixtrans-66.4-42.1175.7-173.568.3000111.2S8 H9 F15 L16S8-L12 WeakPolarHBondContact O-CB 3.36Å; S8-L12 PolarHBondContact O-N 3.31Å; H9-L12 PolarHBondContact O-N 3.5Å; L12-F15 PolarHBondContact O-N 3.25Å; L12-L16 HydrophobicContact CG-CD1 4.24Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 3.28Å
13L76.2Confident71.7Confident118 Ų118105.8 Ų105.862%0.61855%0.551SS**Hα-helixtrans-62-43.8174.7-85.4157.5000111.7H9 L16 L17H9-L13 WeakPolarHBondContact O-CB 3.45Å; H9-L13 WeakPolarHBondContact O-CG 3.42Å; H9-L13 PolarHBondContact O-N 3.24Å; L13-L16 PolarHBondContact O-N 3.24Å; L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 3.07Å
14L77.4Confident73.1Confident109 Ų109101.5 Ų101.557%0.57154%0.536SS*.Hα-helixtrans-62.7-41.2174.6-78163.9000112Q10 R11 L17 M18Q10-L14 WeakPolarHBondContact O-CB 3.48Å; Q10-L14 WeakPolarHBondContact O-CG 3.43Å; Q10-L14 PolarHBondContact O-N 3.38Å; R11-L14 PolarHBondContact O-N 3.04Å; L14-L17 PolarHBondContact O-N 3.39Å; L14-M18 VanDerWaalsContact O-CG 3.27Å; L14-M18 WeakPolarHBondContact O-CG 3.25Å; L14-M18 PolarHBondContact O-N 3.41Å
15F81Confident74.2Confident133 Ų13398.5 Ų98.558%0.58352%0.523SS*.Hα-helixtrans-64.3-45.7176.7-179-100.1000112R11 L12 L17 M18 V19R11-F15 WeakPolarHBondContact O-CB 3.33Å; R11-F15 PolarHBondContact O-N 2.99Å; L12-F15 PolarHBondContact O-N 3.25Å; F15-L17 VanDerWaalsContact C-N 3.31Å; F15-L17 PolarHBondContact O-N 2.98Å; F15-M18 PolarHBondContact O-N 3.39Å; F15-V19 HydrophobicContact CD1-CG2 4.31Å; F15-V19 HydrophobicContact CE1-CG2 3.91Å; F15-V19 HydrophobicContact CE2-CG2 4.42Å; F15-V19 HydrophobicContact CZ-CG2 3.98Å; F15-V19 WeakPolarHBondContact O-CG2 3.47Å; F15-V19 PolarHBondContact O-N 3.36Å
16L82.1Confident75.2Confident99 Ų99100.2 Ų100.252%0.51853%0.525SS..Hα-helixtrans-63.2-37.9176.9-71.3170.9000111.9L12 L13 V19 A20L12-L16 HydrophobicContact CG-CD1 4.24Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 3.28Å; L13-L16 PolarHBondContact O-N 3.24Å; L16-V19 PolarHBondContact O-N 2.98Å; L16-A20 WeakPolarHBondContact O-CB 3.48Å; L16-A20 PolarHBondContact O-N 2.91Å
17L83.2Confident75.8Confident110 Ų110100.6 Ų100.658%0.57652%0.523SS*.Hα-helixtrans-66.9-40.1176.6-162.5132000111.4L13 L14 F15 A20 V21L13-L17 WeakPolarHBondContact O-CB 3.41Å; L13-L17 PolarHBondContact O-N 3.07Å; L14-L17 PolarHBondContact O-N 3.39Å; F15-L17 VanDerWaalsContact C-N 3.31Å; F15-L17 PolarHBondContact O-N 2.98Å; L17-A20 PolarHBondContact O-N 3.04Å; L17-V21 HydrophobicContact CD2-CG2 4.3Å; L17-V21 WeakPolarHBondContact O-CB 3.31Å; L17-V21 VanDerWaalsContact O-CG2 3.23Å; L17-V21 WeakPolarHBondContact O-CG2 3.36Å; L17-V21 PolarHBondContact O-N 3.14Å
18M82.3Confident76.2Confident129 Ų129103.9 Ų103.964%0.63553%0.533SS*.Hα-helixtrans-64.5-40.8174-72-68.1-69.800112.4L14 F15 V21 F22L14-M18 VanDerWaalsContact O-CG 3.27Å; L14-M18 WeakPolarHBondContact O-CG 3.25Å; L14-M18 PolarHBondContact O-N 3.41Å; F15-M18 PolarHBondContact O-N 3.39Å; M18-V21 PolarHBondContact O-N 3.11Å; M18-F22 VanDerWaalsContact O-CB 3.3Å; M18-F22 WeakPolarHBondContact O-CB 3.47Å; M18-F22 PolarHBondContact O-N 3.46Å
19V82.6Confident76.6Confident79 Ų79110.2 Ų110.248%0.47955%0.546SS..Hα-helixtrans-65.5-41.1175.7171.80000111.2F15 L16 F22 G23F15-V19 HydrophobicContact CD1-CG2 4.31Å; F15-V19 HydrophobicContact CE1-CG2 3.91Å; F15-V19 HydrophobicContact CE2-CG2 4.42Å; F15-V19 HydrophobicContact CZ-CG2 3.98Å; F15-V19 WeakPolarHBondContact O-CG2 3.47Å; F15-V19 PolarHBondContact O-N 3.36Å; L16-V19 PolarHBondContact O-N 2.98Å; V19-F22 PolarHBondContact O-N 3.12Å; V19-G23 PolarHBondContact O-N 2.99Å
20A80.6Confident76.3Confident58 Ų58108.2 Ų108.248%0.47955%0.549SS..Hα-helixtrans-64.7-46176.900000111.7L16 L17 G23 V24L16-A20 WeakPolarHBondContact O-CB 3.48Å; L16-A20 PolarHBondContact O-N 2.91Å; L17-A20 PolarHBondContact O-N 3.04Å; A20-G23 PolarHBondContact O-N 3.48Å; A20-V24 WeakPolarHBondContact O-CG2 3.39Å; A20-V24 PolarHBondContact O-N 3.33Å
21V82Confident76Confident63 Ų63103.9 Ų103.938%0.38253%0.532SS..Hα-helixtrans-62.8-44177.4170.40000110.8L17 M18 G23 V24 F25L17-V21 HydrophobicContact CD2-CG2 4.3Å; L17-V21 WeakPolarHBondContact O-CB 3.31Å; L17-V21 VanDerWaalsContact O-CG2 3.23Å; L17-V21 WeakPolarHBondContact O-CG2 3.36Å; L17-V21 PolarHBondContact O-N 3.14Å; M18-V21 PolarHBondContact O-N 3.11Å; V21-G23 VanDerWaalsContact C-N 3.34Å; V21-G23 PolarHBondContact O-N 2.92Å; V21-V24 PolarHBondContact O-N 3.46Å; V21-F25 HydrophobicContact CG1-CD2 3.64Å; V21-F25 HydrophobicContact CG1-CE2 3.45Å; V21-F25 VanDerWaalsContact CG1-CE2 3.45Å; V21-F25 WeakPolarHBondContact O-CD2 3.49Å; V21-F25 PolarHBondContact O-N 2.85Å
22F82.2Confident75.3Confident132 Ų132100.7 Ų100.758%0.57954%0.535SS*.Hα-helixtrans-62.1-41.1174.9-173.5-100.4000112M18 V19 V24 F25 M26M18-F22 VanDerWaalsContact O-CB 3.3Å; M18-F22 WeakPolarHBondContact O-CB 3.47Å; M18-F22 PolarHBondContact O-N 3.46Å; V19-F22 PolarHBondContact O-N 3.12Å; F22-V24 VanDerWaalsContact C-N 3.35Å; F22-V24 PolarHBondContact O-N 3.48Å; F22-F25 PolarHBondContact O-N 3.47Å; F22-M26 HydrophobicContact CD1-CG 3.92Å; F22-M26 HydrophobicContact CE1-CG 3.55Å; F22-M26 HydrophobicContact CE1-SD 4.12Å; F22-M26 HydrophobicContact CE2-CG 4.35Å; F22-M26 HydrophobicContact CE2-SD 4.39Å; F22-M26 HydrophobicContact CG-CG 4.46Å; F22-M26 HydrophobicContact CZ-CG 3.79Å; F22-M26 HydrophobicContact CZ-SD 3.8Å; F22-M26 WeakPolarHBondContact O-CB 3.4Å; F22-M26 VanDerWaalsContact O-CG 3.27Å; F22-M26 WeakPolarHBondContact O-CG 3.26Å; F22-M26 PolarHBondContact O-N 3.46Å
23G77.3Confident73.8Confident30 Ų30100 Ų10031%0.30954%0.538SS..Hα-helixtrans-59.8-42.5174.200000112.8V19 A20 V21 M26 I27V19-G23 PolarHBondContact O-N 2.99Å; A20-G23 PolarHBondContact O-N 3.48Å; V21-G23 VanDerWaalsContact C-N 3.34Å; V21-G23 PolarHBondContact O-N 2.92Å; G23-M26 PolarHBondContact O-N 3.23Å; G23-I27 VanDerWaalsContact O-CG1 3.25Å; G23-I27 WeakPolarHBondContact O-CG1 3.36Å; G23-I27 PolarHBondContact O-N 3.4Å
24V76.4Confident73Confident86 Ų86101 Ų10152%0.52155%0.554SS.*Hα-helixtrans-63.5-46.9175.2173.40000110.8A20 V21 F22 M26 I27 Q28A20-V24 WeakPolarHBondContact O-CG2 3.39Å; A20-V24 PolarHBondContact O-N 3.33Å; V21-V24 PolarHBondContact O-N 3.46Å; F22-V24 VanDerWaalsContact C-N 3.35Å; F22-V24 PolarHBondContact O-N 3.48Å; V24-M26 VanDerWaalsContact C-N 3.33Å; V24-M26 PolarHBondContact O-N 3.31Å; V24-I27 PolarHBondContact O-N 3.01Å; V24-Q28 WeakPolarHBondContact O-CB 3.49Å; V24-Q28 PolarHBondContact O-N 2.9Å
25F75.3Confident72Confident130 Ų13099.7 Ų99.757%0.5755%0.554SS**Hα-helixtrans-60.9-41177-82.1-66.3000112.5V21 F22 Q28 Y29V21-F25 HydrophobicContact CG1-CD2 3.64Å; V21-F25 HydrophobicContact CG1-CE2 3.45Å; V21-F25 VanDerWaalsContact CG1-CE2 3.45Å; V21-F25 WeakPolarHBondContact O-CD2 3.49Å; V21-F25 PolarHBondContact O-N 2.85Å; F22-F25 PolarHBondContact O-N 3.47Å; F25-Q28 PolarHBondContact O-N 3.21Å; F25-Y29 WeakPolarHBondContact O-CB 3.24Å; F25-Y29 PolarHBondContact O-N 2.91Å
26M72.6Confident70.8Confident106 Ų106102.2 Ų102.252%0.52257%0.568SS.*Hα-helixtrans-65.6-39.1176.8-70.8-63.3-73.900112.2F22 G23 V24 Y29 A30F22-M26 HydrophobicContact CD1-CG 3.92Å; F22-M26 HydrophobicContact CE1-CG 3.55Å; F22-M26 HydrophobicContact CE1-SD 4.12Å; F22-M26 HydrophobicContact CE2-CG 4.35Å; F22-M26 HydrophobicContact CE2-SD 4.39Å; F22-M26 HydrophobicContact CG-CG 4.46Å; F22-M26 HydrophobicContact CZ-CG 3.79Å; F22-M26 HydrophobicContact CZ-SD 3.8Å; F22-M26 WeakPolarHBondContact O-CB 3.4Å; F22-M26 VanDerWaalsContact O-CG 3.27Å; F22-M26 WeakPolarHBondContact O-CG 3.26Å; F22-M26 PolarHBondContact O-N 3.46Å; G23-M26 PolarHBondContact O-N 3.23Å; V24-M26 VanDerWaalsContact C-N 3.33Å; V24-M26 PolarHBondContact O-N 3.31Å; M26-Y29 PolarHBondContact O-N 2.95Å; M26-A30 VanDerWaalsContact O-CB 3.24Å; M26-A30 WeakPolarHBondContact O-CB 3.39Å; M26-A30 PolarHBondContact O-N 3.36Å
27I67.3Low69.5Low92 Ų9299.4 Ų99.447%0.47256%0.556SS.*Hα-helixtrans-66.4-40174.9-69.6166.5000110.7G23 V24 Y29 A30 C31G23-I27 VanDerWaalsContact O-CG1 3.25Å; G23-I27 WeakPolarHBondContact O-CG1 3.36Å; G23-I27 PolarHBondContact O-N 3.4Å; V24-I27 PolarHBondContact O-N 3.01Å; I27-Y29 VanDerWaalsContact C-N 3.35Å; I27-A30 PolarHBondContact O-N 3.17Å; I27-C31 WeakPolarHBondContact O-CB 3.47Å; I27-C31 PolarHBondContact O-N 2.9Å
28Q67.9Low68.1Low122 Ų122102.1 Ų102.157%0.5757%0.566SS**Hα-helixtrans-70.8-31.5179.9-144.5165.54.400112.3V24 F25V24-Q28 WeakPolarHBondContact O-CB 3.49Å; V24-Q28 PolarHBondContact O-N 2.9Å; F25-Q28 PolarHBondContact O-N 3.21Å
29Y69.7Low66.7Low208 Ų208101.3 Ų101.382%0.81656%0.563SS**Hα-helixtrans-77-36.7174.1-149.1-89.4000112.4F25 M26 I27F25-Y29 WeakPolarHBondContact O-CB 3.24Å; F25-Y29 PolarHBondContact O-N 2.91Å; M26-Y29 PolarHBondContact O-N 2.95Å; I27-Y29 VanDerWaalsContact C-N 3.35Å
30A64.1Low65.3Low67 Ų67102.8 Ų102.855%0.55457%0.568SS**Hα-helixtrans-78.1-28178.200000113.3M26 I27M26-A30 VanDerWaalsContact O-CB 3.24Å; M26-A30 WeakPolarHBondContact O-CB 3.39Å; M26-A30 PolarHBondContact O-N 3.36Å; I27-A30 PolarHBondContact O-N 3.17Å
31C64.8Low63.8Low38 Ų38107.9 Ų107.926%0.25758%0.581SS.*  trans-133.576.3-178.4-74.30000111.1I27 S33 C37I27-C31 WeakPolarHBondContact O-CB 3.47Å; I27-C31 PolarHBondContact O-N 2.9Å; C31-S33 VanDerWaalsContact C-N 3.27Å; C31-S33 PolarHBondContact O-N 2.84Å; C31-C37 HydrophobicContact CB-CB 3.82Å; C31-C37 WeakPolarHBondContact CB-SG 3.43Å; C31-C37 WeakPolarHBondContact SG-CB 3.3Å; C31-C37 CovalentContact SG-SG 2.04Å; C31-C37 PolarHBondContact SG-SG 2.87Å
32P58.2Low62Low112 Ų112112.4 Ų112.473%0.72760%0.598SS**  trans-79.92.8-173.330.4-34.4000114.9
33S47.5Very low60.1Low79 Ų79110.6 Ų110.655%0.55259%0.594SS**SBendtrans-131.5140.5176.470.20000111.1C31 S35C31-S33 VanDerWaalsContact C-N 3.27Å; C31-S33 PolarHBondContact O-N 2.84Å; S33-S35 PolarHBondContact O-N 3.19Å
34S58.4Low58.5Low138 Ų138111.3 Ų111.397%0.96560%0.602SS**SBendtrans-73.930.1-169.756.40000114.9
35S55.6Low56.9Low82 Ų82110.2 Ų110.257%0.57360%0.602SS**SBendtrans-143.5108.1176.851.20000110S33S33-S35 PolarHBondContact O-N 3.19Å
36E56Low55.1Low187 Ų187113.8 Ų113.887%0.87461%0.611SS**  trans79.382.9163.6-53.1-169.3169.600117.3
37C55.8Low53.3Low40 Ų40117.4 Ų117.427%0.2763%0.625SS.*  trans-101.299.1167.6-158.50000109.5C31 I39 L40C31-C37 HydrophobicContact CB-CB 3.82Å; C31-C37 WeakPolarHBondContact CB-SG 3.43Å; C31-C37 WeakPolarHBondContact SG-CB 3.3Å; C31-C37 CovalentContact SG-SG 2.04Å; C31-C37 PolarHBondContact SG-SG 2.87Å; C37-I39 PolarHBondContact O-N 3.49Å; C37-L40 PolarHBondContact O-N 3.41Å
38Q54.3Low51.9Low166 Ų166118.6 Ų118.678%0.77664%0.636SS**THydrogen-bonded Turntrans-64.4-19.9-176.3-76.5178.4-20.700114.2L40 H41Q38-L40 PolarHBondContact O-N 2.89Å; Q38-H41 PolarHBondContact O-N 3.28Å
39I52.6Low50.5Low112 Ų112120.6 Ų120.657%0.57465%0.65SS**Hα-helixtrans-70.6-30.3-176.2-62174.7000112.1C37 H41C37-I39 PolarHBondContact O-N 3.49Å; I39-H41 VanDerWaalsContact C-N 3.32Å; I39-H41 PolarHBondContact O-N 3.08Å
40L52.3Low48.8Very low110 Ų110114.6 Ų114.658%0.57665%0.651SS**Hα-helixtrans-76.6-20.4179.7-122.5138.9000112.9C37 Q38 G44C37-L40 PolarHBondContact O-N 3.41Å; Q38-L40 PolarHBondContact O-N 2.89Å; L40-G44 PolarHBondContact O-N 3Å
41H49.6Very low47.1Very low166 Ų166115.5 Ų115.577%0.76967%0.667SS**Hα-helixtrans-75.1-28.6177.4-124-80.8000112.7Q38 I39Q38-H41 PolarHBondContact O-N 3.28Å; I39-H41 VanDerWaalsContact C-N 3.32Å; I39-H41 PolarHBondContact O-N 3.08Å
42Q43.8Very low45.4Very low157 Ų157117.3 Ų117.373%0.73469%0.692SS**Hα-helixtrans-78.6-31.1177.5-83.3-178.7-24.300113A45Q42-A45 PolarHBondContact O-N 2.92Å
43L43.2Very low44.6Very low95 Ų95118.7 Ų118.750%0.49770%0.701SS.*Hα-helixtrans-75.2-28.1177.1-75.2164.2000112.9A45 W46 F47L43-A45 PolarHBondContact O-N 3.44Å; L43-W46 PolarHBondContact O-N 2.94Å; L43-F47 WeakPolarHBondContact O-CD2 3.41Å
44G43.4Very low43.8Very low45 Ų45118.2 Ų118.246%0.46471%0.709SS.*THydrogen-bonded Turntrans-66.4-23174.200000114.3L40 W46L40-G44 PolarHBondContact O-N 3Å; G44-W46 VanDerWaalsContact C-N 3.33Å; G44-W46 PolarHBondContact O-N 3.31Å
45A43.7Very low42.5Very low63 Ų63119 Ų11952%0.52170%0.701SS.*THydrogen-bonded Turntrans-78-13.4-179.900000113.9Q42 L43Q42-A45 PolarHBondContact O-N 2.92Å; L43-A45 PolarHBondContact O-N 3.44Å
46W35.6Very low41.3Very low205 Ų205127.2 Ų127.278%0.77772%0.719SS**SBendtrans-92.5-15.7177.9-88.3-9.6000114.6L43 G44L43-W46 PolarHBondContact O-N 2.94Å; G44-W46 VanDerWaalsContact C-N 3.33Å; G44-W46 PolarHBondContact O-N 3.31Å
47F35.9Very low40.3Very low182 Ų182125.3 Ų125.380%0.79871%0.713SS**SBendtrans-93.62-179.5-74.1-78.4000114.6L43L43-F47 WeakPolarHBondContact O-CD2 3.41Å
48T37.4Very low39Very low117 Ų117126.2 Ų126.272%0.71873%0.729SS**  trans-102.644.1177.7600000113.2
49L39.6Very low38Very low164 Ų164127.5 Ų127.586%0.85974%0.735SS**  trans-117.882.7169.2-101.6132.7000109
50G32.6Very low37Very low82 Ų82126.9 Ų126.985%0.84574%0.741SS**SBendtrans173.985.5174.200000115.4
51G28.1Very low36.2Very low86 Ų86131.4 Ų131.489%0.88776%0.759SS**  trans112.5116.3149.200000118.2
52G29.3Very low35.6Very low75 Ų75128.9 Ų128.977%0.77375%0.751SS**  trans118.6124.815300000116.5
53P42.2Very low35.4Very low141 Ų141125.3 Ų125.392%0.91676%0.757SS**  trans-89.4133.2-169.335.1-31.1000112.3
54G29.8Very low35.5Very low70 Ų70125.8 Ų125.872%0.72276%0.759SS**  trans176.7104.9170.200000114.4
55I32.1Very low36.1Very low154 Ų154132.9 Ų132.979%0.7978%0.78SS**  trans77.184.8164.4-44.7176.1000114.5I57I55-I57 HydrophobicContact CG2-CG1 4.03Å; I55-I57 PolarHBondContact O-N 3.43Å
56R30.2Very low37.4Very low254 Ų254139 Ų13996%0.95880%0.795SS**  trans-62.696.7155.3-72.9-177.7175.6-175.4-1.9108.5G58R56-G58 PolarHBondContact O-N 2.94Å
57I34.5Very low39.7Very low148 Ų148131.9 Ų131.976%0.75977%0.772SS**  trans-74.5102.4153.2-58.9-178.2000104.4I55 E59I55-I57 HydrophobicContact CG2-CG1 4.03Å; I55-I57 PolarHBondContact O-N 3.43Å; I57-E59 PolarHBondContact O-N 3.2Å; I57-E59 VanDerWaalsContact O-N 3.11Å
58G28.9Very low42Very low58 Ų58127.4 Ų127.460%0.59876%0.761SS**  trans-57.6116.5169.800000108.4R56 S60R56-G58 PolarHBondContact O-N 2.94Å; G58-S60 PolarHBondContact O-N 3.48Å
59E33.9Very low44.3Very low193 Ų193122.5 Ų122.590%0.90273%0.73SS**  trans-63.885.8157-82.4-177.2135.700107.4I57 Q61I57-E59 PolarHBondContact O-N 3.2Å; I57-E59 VanDerWaalsContact O-N 3.11Å; E59-Q61 PolarHBondContact O-N 2.96Å
60S30.8Very low46.4Very low100 Ų100120 Ų12070%0.69972%0.716SS**  trans-66.3104.7151.3510000106.5G58 D62G58-S60 PolarHBondContact O-N 3.48Å; S60-D62 PolarHBondContact O-N 3.37Å
61Q36.6Very low48.9Very low204 Ų204119.9 Ų119.995%0.95371%0.707SS**  trans-55.187.9150.9-82.6176.7-25.200107.3E59E59-Q61 PolarHBondContact O-N 2.96Å
62D36.8Very low51.6Low114 Ų114118 Ų11861%0.6168%0.675SS**  trans-119.4121.7166.9-161.312.6000106S60 L64S60-D62 PolarHBondContact O-N 3.37Å; D62-L64 HydrophobicContact CB-CD1 4.3Å; D62-L64 PolarHBondContact O-N 3.03Å; D62-L64 WeakPolarHBondContact OD2-CD1 3.39Å
63G38.9Very low53.9Low82 Ų82115.6 Ų115.685%0.84564%0.644SS**  trans-69.447.5-174.500000113.8Q65G63-Q65 PolarHBondContact O-N 2.9Å
64L45.7Very low55.2Low104 Ų104111.4 Ų111.455%0.54563%0.627SS.*  trans-78.1103166.4-86.7119.4000108.1D62 K66D62-L64 HydrophobicContact CB-CD1 4.3Å; D62-L64 PolarHBondContact O-N 3.03Å; D62-L64 WeakPolarHBondContact OD2-CD1 3.39Å; L64-K66 PolarHBondContact O-N 3.3Å
65Q55.4Low56.7Low194 Ų194111.2 Ų111.291%0.90762%0.619SS**  trans-42.3112.8163-85.1170.6-2200109G63 D67G63-Q65 PolarHBondContact O-N 2.9Å; Q65-D67 PolarHBondContact O-N 3.47Å
66K72.1Confident58.2Low193 Ų193104.6 Ų104.684%0.83959%0.585SS**  trans-58.9128.1173.6-112.8175.5178171.90107.2L64 P68L64-K66 PolarHBondContact O-N 3.3Å; K66-P68 WeakPolarHBondContact O-CD 3.32Å; K66-P68 VanDerWaalsContact O-N 3.08Å
67D82.3Confident59.7Low55 Ų5596.9 Ų96.929%0.29458%0.576SS.*  trans-53113.5177.3179.2-18.4000110.3Q65 Y69 I70 R378Q65-D67 PolarHBondContact O-N 3.47Å; D67-Y69 PolarHBondContact O-N 3.48Å; D67-Y69 VanDerWaalsContact O-N 3.08Å; D67-Y69 PolarHBondContact OD1-N 3.38Å; D67-I70 HydrophobicContact CB-CB 4.38Å; D67-I70 WeakPolarHBondContact O-CB 3.37Å; D67-I70 WeakPolarHBondContact O-CG2 3.27Å; D67-I70 PolarHBondContact O-N 3.42Å; D67-I70 VanDerWaalsContact O-N 3.16Å; D67-R378 IonicContact OD1-CZ 2.75Å; D67-R378 IonicContact OD1-NH1 2.67Å; D67-R378 PolarHBondContact OD1-NH1 2.03Å; D67-R378 IonicContact OD1-NH2 3.25Å; D67-R378 PolarHBondContact OD1-NH2 3.21Å; D67-R378 IonicContact OD2-CZ 2.67Å; D67-R378 VanDerWaalsContact OD2-CZ 3.25Å; D67-R378 IonicContact OD2-NH1 3.82Å; D67-R378 PolarHBondContact OD2-NH1 2.75Å; D67-R378 IonicContact OD2-NH2 3.27Å; D67-R378 PolarHBondContact OD2-NH2 3.36Å
68P84.4Confident61.2Low88 Ų88101 Ų10157%0.57158%0.582SS**THydrogen-bonded Turntrans-72.4-3.9-171.630.5-36000113.3K66 R313K66-P68 WeakPolarHBondContact O-CD 3.32Å; K66-P68 VanDerWaalsContact O-N 3.08Å; P68-R313 PolarHBondContact O-NH2 3.49Å
69Y86.6Confident63.7Low14 Ų14100.2 Ų100.26%0.05556%0.562CS.*THydrogen-bonded Turntrans-111.57.4178.4-60.2-72.2000112.8D67 A71 E72 R313 Q316 Y317 E320D67-Y69 PolarHBondContact O-N 3.48Å; D67-Y69 VanDerWaalsContact O-N 3.08Å; D67-Y69 PolarHBondContact OD1-N 3.38Å; Y69-A71 VanDerWaalsContact C-N 3.25Å; Y69-A71 PolarHBondContact O-N 2.92Å; Y69-E72 WeakPolarHBondContact O-CB 3.29Å; Y69-E72 PolarHBondContact O-N 3.26Å; Y69-R313 WeakPolarHBondContact CE1-O 3.44Å; Y69-Q316 PolarHBondContact OH-NE2 2.97Å; Y69-Y317 HydrophobicContact CD1-CD2 4.31Å; Y69-Y317 HydrophobicContact CD1-CG 4.49Å; Y69-Y317 AromaticContact CD2-CD2 3.46Å; Y69-Y317 HydrophobicContact CD2-CD2 3.46Å; Y69-Y317 VanDerWaalsContact CD2-CD2 3.46Å; Y69-Y317 HydrophobicContact CD2-CE2 4.12Å; Y69-Y317 HydrophobicContact CD2-CG 4.38Å; Y69-Y317 HydrophobicContact CE1-CD2 4.39Å; Y69-Y317 HydrophobicContact CE1-CG 4.5Å; Y69-Y317 AromaticContact CE2-CD2 3.54Å; Y69-Y317 HydrophobicContact CE2-CD2 3.54Å; Y69-Y317 HydrophobicContact CE2-CE2 4.44Å; Y69-Y317 HydrophobicContact CE2-CG 4.37Å; Y69-Y317 AromaticContact CG-CD2 3.85Å; Y69-Y317 HydrophobicContact CG-CD2 3.85Å; Y69-Y317 HydrophobicContact CG-CG 4.42Å; Y69-E320 PolarHBondContact OH-OE2 2.62Å
70I84.3Confident66.1Low112 Ų11296.5 Ų96.557%0.57455%0.552SS**Hα-helixtrans-59.5-34.5-179.8-162.4166.4000113.1D67 E72 D73D67-I70 HydrophobicContact CB-CB 4.38Å; D67-I70 WeakPolarHBondContact O-CB 3.37Å; D67-I70 WeakPolarHBondContact O-CG2 3.27Å; D67-I70 PolarHBondContact O-N 3.42Å; D67-I70 VanDerWaalsContact O-N 3.16Å; I70-E72 PolarHBondContact O-N 3.4Å; I70-D73 WeakPolarHBondContact O-CB 3.43Å; I70-D73 PolarHBondContact O-N 3.39Å
71A83.3Confident69Low79 Ų7994.9 Ų94.965%0.65354%0.539SS*.Hα-helixtrans-64.9-30.2176.300000112.2Y69 D73Y69-A71 VanDerWaalsContact C-N 3.25Å; Y69-A71 PolarHBondContact O-N 2.92Å; A71-D73 VanDerWaalsContact C-N 3.29Å; A71-D73 PolarHBondContact O-N 3.42Å
72E84.9Confident71.7Confident46 Ų4692.2 Ų92.222%0.21552%0.52CS..Hα-helixtrans-76.5-18.1-178.1-60.2-58.214200113Y69 I70 R313 K314 F374Y69-E72 WeakPolarHBondContact O-CB 3.29Å; Y69-E72 PolarHBondContact O-N 3.26Å; I70-E72 PolarHBondContact O-N 3.4Å; E72-R313 HydrophobicContact CG-CB 4Å; E72-K314 HydrophobicContact CB-CG 4.33Å; E72-K314 HydrophobicContact CG-CG 4.43Å; E72-K314 PolarHBondContact O-NZ 2.93Å; E72-K314 IonicContact OE2-NZ 3.6Å; E72-K314 PolarHBondContact OE2-NZ 3.17Å; E72-F374 HydrophobicContact CB-CE1 4.09Å; E72-F374 HydrophobicContact CB-CZ 3.71Å
73D79.1Confident74.5Confident24 Ų2490.4 Ų90.413%0.12851%0.507CS..Hα-helixtrans-71.9-33.6178.6-66.7-43000112.5I70 A71 A75 L76 R378 R382I70-D73 WeakPolarHBondContact O-CB 3.43Å; I70-D73 PolarHBondContact O-N 3.39Å; A71-D73 VanDerWaalsContact C-N 3.29Å; A71-D73 PolarHBondContact O-N 3.42Å; D73-A75 VanDerWaalsContact C-N 3.29Å; D73-A75 PolarHBondContact O-N 2.96Å; D73-L76 WeakPolarHBondContact O-CB 3.47Å; D73-L76 PolarHBondContact O-N 2.91Å; D73-L76 VanDerWaalsContact O-N 3.14Å; D73-R378 IonicContact OD1-CZ 3.75Å; D73-R378 IonicContact OD1-NE 2.62Å; D73-R378 PolarHBondContact OD1-NE 3.32Å; D73-R378 IonicContact OD1-NH2 3.89Å; D73-R378 PolarHBondContact OD1-NH2 2.96Å; D73-R378 IonicContact OD2-CZ 3.32Å; D73-R378 IonicContact OD2-NE 3Å; D73-R378 IonicContact OD2-NH2 3.28Å; D73-R378 PolarHBondContact OD2-NH2 3.4Å; D73-R382 VanDerWaalsContact CG-NH2 3.33Å; D73-R382 IonicContact OD1-CZ 3.5Å; D73-R382 IonicContact OD1-NH1 3.47Å; D73-R382 PolarHBondContact OD1-NH1 3.38Å; D73-R382 IonicContact OD1-NH2 2.79Å; D73-R382 PolarHBondContact OD1-NH2 3.25Å; D73-R382 IonicContact OD2-CZ 3.45Å; D73-R382 IonicContact OD2-NH1 2.69Å; D73-R382 PolarHBondContact OD2-NH1 2.96Å; D73-R382 IonicContact OD2-NH2 3.54Å
74G69.2Low77.2Confident54 Ų5494.3 Ų94.356%0.55751%0.509SS*.Hα-helixtrans-63.3-35.9179.900000112.6L76 A77G74-L76 PolarHBondContact O-N 2.9Å; G74-A77 PolarHBondContact O-N 3.29Å
75A61.8Low79.7Confident66 Ų6690 Ų9055%0.54549%0.486SS..G310 helixtrans-65.9-21177.400000113.3D73D73-A75 VanDerWaalsContact C-N 3.29Å; D73-A75 PolarHBondContact O-N 2.96Å
76L63.7Low81.7Confident15 Ų1584.5 Ų84.58%0.07947%0.465CS..G310 helixtrans-82.3-18.1-180-68.7176.6000114D73 G74 R78 F79 L371 F374 Q375D73-L76 WeakPolarHBondContact O-CB 3.47Å; D73-L76 PolarHBondContact O-N 2.91Å; D73-L76 VanDerWaalsContact O-N 3.14Å; G74-L76 PolarHBondContact O-N 2.9Å; L76-R78 PolarHBondContact O-N 3.21Å; L76-R78 VanDerWaalsContact O-N 3.08Å; L76-F79 PolarHBondContact O-N 3.43Å; L76-F79 VanDerWaalsContact O-N 3.17Å; L76-L371 HydrophobicContact CD2-CD2 4.35Å; L76-F374 HydrophobicContact CD1-CD1 3.44Å; L76-F374 VanDerWaalsContact CD1-CD1 3.44Å; L76-F374 HydrophobicContact CD1-CE1 3.51Å; L76-F374 HydrophobicContact CD2-CD1 4.01Å; L76-F374 HydrophobicContact CG-CD1 4.03Å; L76-F374 HydrophobicContact CG-CE1 4.13Å; L76-Q375 HydrophobicContact CB-CG 4.13Å; L76-Q375 HydrophobicContact CD1-CB 4.34Å; L76-Q375 HydrophobicContact CD1-CG 3.4Å; L76-Q375 VanDerWaalsContact CD1-CG 3.4Å; L76-Q375 HydrophobicContact CD2-CG 3.56Å; L76-Q375 HydrophobicContact CG-CG 3.87Å; L76-Q375 PolarHBondContact O-NE2 2.97Å
77A60.3Low82.7Confident92 Ų9279.6 Ų79.676%0.7646%0.455SS*.G310 helixtrans-64.4-15.5-176.300000113.7G74G74-A77 PolarHBondContact O-N 3.29Å
78R66.4Low83.3Confident235 Ų23580.4 Ų80.489%0.88747%0.469SS*.G310 helixtrans-112.4-1.2179.2-60.7-177.4-173.3158.81.9113.9L76 V80L76-R78 PolarHBondContact O-N 3.21Å; L76-R78 VanDerWaalsContact O-N 3.08Å; R78-V80 PolarHBondContact O-N 3.32Å
79F80.9Confident83.9Confident40 Ų4077 Ų7718%0.17545%0.446CS..  trans-79123.7179.6170.9-101.2000109.9L76 P81 D368 L371 Q372L76-F79 PolarHBondContact O-N 3.43Å; L76-F79 VanDerWaalsContact O-N 3.17Å; F79-P81 HydrophobicContact CD1-CG 4.45Å; F79-P81 HydrophobicContact CE1-CG 4.02Å; F79-D368 WeakPolarHBondContact CZ-OD1 3.41Å; F79-L371 HydrophobicContact CD1-CB 4.18Å; F79-L371 HydrophobicContact CD2-CB 4.02Å; F79-L371 HydrophobicContact CD2-CD1 3.4Å; F79-L371 VanDerWaalsContact CD2-CD1 3.4Å; F79-L371 HydrophobicContact CD2-CG 4.36Å; F79-L371 HydrophobicContact CE1-CB 3.84Å; F79-L371 HydrophobicContact CE2-CB 3.7Å; F79-L371 HydrophobicContact CE2-CD1 3.47Å; F79-L371 VanDerWaalsContact CE2-CD1 3.47Å; F79-L371 HydrophobicContact CE2-CG 4.21Å; F79-L371 HydrophobicContact CG-CB 4.22Å; F79-L371 HydrophobicContact CG-CD1 4.15Å; F79-L371 HydrophobicContact CZ-CB 3.57Å; F79-L371 HydrophobicContact CZ-CD1 4.25Å; F79-Q372 HydrophobicContact CE1-CG 3.71Å; F79-Q372 HydrophobicContact CZ-CG 4.08Å
80V85.4Confident84.3Confident116 Ų11677.3 Ų77.370%0.70345%0.449SS*.  trans-108.4114.5176.5-177.80000108.2R78 R82R78-V80 PolarHBondContact O-N 3.32Å; V80-R82 PolarHBondContact O-N 2.79Å
81P91.1Very high84.7Confident66 Ų6675.1 Ų75.143%0.42944%0.438SS..  trans-51.4133173.6-31.438.5000112.4F79 D368 Q372F79-P81 HydrophobicContact CD1-CG 4.45Å; F79-P81 HydrophobicContact CE1-CG 4.02Å; P81-D368 VanDerWaalsContact CA-OD1 3.31Å; P81-D368 WeakPolarHBondContact CA-OD1 3.34Å; P81-Q372 HydrophobicContact CB-CG 4.35Å; P81-Q372 HydrophobicContact CG-CG 4.25Å
82R93.2Very high85.1Confident148 Ų14874 Ų7456%0.55842%0.417SS*.  trans-99-35.9175.3-71.7-171.5177.2174.6-1112.9V80 E364 D368V80-R82 PolarHBondContact O-N 2.79Å; R82-E364 IonicContact CZ-OE1 2.89Å; R82-E364 IonicContact NH1-OE1 3.9Å; R82-E364 PolarHBondContact NH1-OE1 2.96Å; R82-E364 IonicContact NH1-OE2 3.79Å; R82-E364 PolarHBondContact NH1-OE2 3.36Å; R82-D368 PolarHBondContact N-OD1 3.2Å; R82-D368 PolarHBondContact N-OD2 3.21Å
83F95.2Very high85.4Confident75 Ų7577.9 Ų77.933%0.32944%0.435SS..SBendtrans-112.3147.5-177.9-58.8-85.1000110.3F85 Y365 D368 Q372F83-F85 HydrophobicContact CB-CD2 4.36Å; F83-F85 HydrophobicContact CB-CE1 4.33Å; F83-F85 HydrophobicContact CB-CE2 3.7Å; F83-F85 HydrophobicContact CB-CZ 3.68Å; F83-F85 HydrophobicContact CD2-CZ 4.48Å; F83-F85 HydrophobicContact CG-CZ 4.3Å; F83-Y365 HydrophobicContact CD1-CD2 4.31Å; F83-Y365 HydrophobicContact CD2-CD2 4.19Å; F83-Y365 HydrophobicContact CE1-CD2 4.34Å; F83-Y365 HydrophobicContact CE2-CD2 4.24Å; F83-Y365 HydrophobicContact CG-CD2 4.24Å; F83-Y365 HydrophobicContact CZ-CD2 4.31Å; F83-D368 WeakPolarHBondContact CA-OD2 3.27Å; F83-D368 WeakPolarHBondContact CB-OD2 3.1Å; F83-D368 HydrophobicContact CD2-CB 3.88Å; F83-D368 VanDerWaalsContact CD2-OD2 3.28Å; F83-D368 WeakPolarHBondContact CD2-OD2 2.97Å; F83-D368 HydrophobicContact CE2-CB 4.47Å; F83-D368 PolarHBondContact N-OD2 3.41Å; F83-Q372 PolarHBondContact O-NE2 3.1Å
84N95.7Very high86.2Confident164 Ų16477.7 Ų77.788%0.87744%0.435SS*.  trans-93.1101176.5-170.59000109.9
85F97.6Very high87.3Confident15 Ų1582.2 Ų82.27%0.06645%0.447CS..  trans-93.5142.5177.5-67.2-64000111.4F83 D89 L90 Y365 D368 L369F83-F85 HydrophobicContact CB-CD2 4.36Å; F83-F85 HydrophobicContact CB-CE1 4.33Å; F83-F85 HydrophobicContact CB-CE2 3.7Å; F83-F85 HydrophobicContact CB-CZ 3.68Å; F83-F85 HydrophobicContact CD2-CZ 4.48Å; F83-F85 HydrophobicContact CG-CZ 4.3Å; F85-D89 HydrophobicContact CB-CB 4Å; F85-D89 HydrophobicContact CD1-CB 4.29Å; F85-L90 HydrophobicContact CB-CD1 4.29Å; F85-L90 HydrophobicContact CB-CD2 3.66Å; F85-L90 HydrophobicContact CB-CG 3.86Å; F85-L90 HydrophobicContact CD2-CD2 4.23Å; F85-L90 HydrophobicContact CG-CD2 4.21Å; F85-Y365 HydrophobicContact CE1-CD2 4.35Å; F85-Y365 HydrophobicContact CE1-CE1 4.38Å; F85-Y365 AromaticContact CE1-CE2 3.52Å; F85-Y365 HydrophobicContact CE1-CE2 3.52Å; F85-Y365 AromaticContact CE1-CZ 3.55Å; F85-Y365 HydrophobicContact CZ-CD2 4.03Å; F85-Y365 AromaticContact CZ-CE2 3.66Å; F85-Y365 HydrophobicContact CZ-CE2 3.66Å; F85-Y365 AromaticContact CZ-CZ 3.93Å; F85-D368 HydrophobicContact CE2-CB 4.38Å; F85-D368 WeakPolarHBondContact CE2-OD2 3.39Å; F85-L369 HydrophobicContact CB-CD1 4.47Å; F85-L369 HydrophobicContact CD1-CD1 3.87Å; F85-L369 HydrophobicContact CD2-CB 4.33Å; F85-L369 HydrophobicContact CD2-CD1 3.89Å; F85-L369 HydrophobicContact CE1-CB 4.24Å; F85-L369 HydrophobicContact CE1-CD1 4.03Å; F85-L369 HydrophobicContact CE1-CG 4.49Å; F85-L369 VanDerWaalsContact CE2-CA 3.45Å; F85-L369 HydrophobicContact CE2-CB 3.67Å; F85-L369 HydrophobicContact CE2-CD1 4.06Å; F85-L369 HydrophobicContact CE2-CG 4.46Å; F85-L369 HydrophobicContact CG-CD1 3.8Å; F85-L369 HydrophobicContact CZ-CB 3.63Å; F85-L369 HydrophobicContact CZ-CD1 4.14Å; F85-L369 HydrophobicContact CZ-CG 4.34Å
86T97.4Very high89Confident78 Ų7880.1 Ų80.148%0.47943%0.425SS..  trans-71160.6175.668.40000110.7A88 D89 L90T86-A88 PolarHBondContact O-N 2.69Å; T86-A88 PolarHBondContact OG1-N 3.47Å; T86-D89 WeakPolarHBondContact CB-OD2 3.36Å; T86-D89 PolarHBondContact N-OD2 2.85Å; T86-D89 WeakPolarHBondContact O-CA 3.39Å; T86-D89 WeakPolarHBondContact O-CB 3.33Å; T86-D89 PolarHBondContact O-N 3.26Å; T86-D89 PolarHBondContact OG1-N 2.9Å; T86-D89 VanDerWaalsContact OG1-N 3.15Å; T86-D89 PolarHBondContact OG1-OD2 3.28Å; T86-L90 WeakPolarHBondContact O-CG 3.47Å; T86-L90 PolarHBondContact O-N 3.14Å; T86-L90 VanDerWaalsContact O-N 3.16Å
87S94.7Very high90.5Very high90 Ų9083.2 Ų83.263%0.62944%0.442SS*.Hα-helixtrans-57.5-32.7171.8-54.30000112.1D89 L90 N91S87-D89 VanDerWaalsContact C-N 3.27Å; S87-D89 PolarHBondContact O-N 3.36Å; S87-L90 PolarHBondContact O-N 3.48Å; S87-N91 VanDerWaalsContact O-CB 3.31Å; S87-N91 WeakPolarHBondContact O-CB 3.34Å; S87-N91 PolarHBondContact O-N 3.45Å; S87-N91 PolarHBondContact O-ND2 3.39Å
88A94.2Very high92.2Very high71 Ų7180.2 Ų80.259%0.58741%0.413SS*.Hα-helixtrans-70.6-18.7174.300000113T86 R92T86-A88 PolarHBondContact O-N 2.69Å; T86-A88 PolarHBondContact OG1-N 3.47Å; A88-R92 PolarHBondContact O-NH1 2.75Å; A88-R92 PolarHBondContact O-NH2 2.67Å
89D96.2Very high93.5Very high17 Ų1773.9 Ų73.99%0.09139%0.392CS..Hα-helixtrans-85.5-31.2173.1-62.7-51.6000111.9F85 T86 S87 K301 R373F85-D89 HydrophobicContact CB-CB 4Å; F85-D89 HydrophobicContact CD1-CB 4.29Å; T86-D89 WeakPolarHBondContact CB-OD2 3.36Å; T86-D89 PolarHBondContact N-OD2 2.85Å; T86-D89 WeakPolarHBondContact O-CA 3.39Å; T86-D89 WeakPolarHBondContact O-CB 3.33Å; T86-D89 PolarHBondContact O-N 3.26Å; T86-D89 PolarHBondContact OG1-N 2.9Å; T86-D89 VanDerWaalsContact OG1-N 3.15Å; T86-D89 PolarHBondContact OG1-OD2 3.28Å; S87-D89 VanDerWaalsContact C-N 3.27Å; S87-D89 PolarHBondContact O-N 3.36Å; D89-K301 HydrophobicContact CB-CD 4.31Å; D89-K301 HydrophobicContact CB-CG 4.45Å; D89-K301 WeakPolarHBondContact OD1-CD 3.43Å; D89-K301 WeakPolarHBondContact OD1-CE 3.35Å; D89-K301 IonicContact OD1-NZ 3.69Å; D89-K301 PolarHBondContact OD1-NZ 2.94Å; D89-K301 IonicContact OD2-NZ 2.83Å; D89-R373 PolarHBondContact O-NE 3.31Å; D89-R373 PolarHBondContact O-NH2 3.41Å
90L96.6Very high94Very high21 Ų2172.6 Ų72.611%0.1139%0.39CS..Hα-helixtrans-88.1-32-175.4-60.5-179000113.6F85 T86 S87 R92 L369 Q372 R373 V376F85-L90 HydrophobicContact CB-CD1 4.29Å; F85-L90 HydrophobicContact CB-CD2 3.66Å; F85-L90 HydrophobicContact CB-CG 3.86Å; F85-L90 HydrophobicContact CD2-CD2 4.23Å; F85-L90 HydrophobicContact CG-CD2 4.21Å; T86-L90 WeakPolarHBondContact O-CG 3.47Å; T86-L90 PolarHBondContact O-N 3.14Å; T86-L90 VanDerWaalsContact O-N 3.16Å; S87-L90 PolarHBondContact O-N 3.48Å; L90-R92 PolarHBondContact O-N 3.36Å; L90-L369 HydrophobicContact CD2-CD1 3.91Å; L90-Q372 HydrophobicContact CD1-CB 4.46Å; L90-Q372 HydrophobicContact CD2-CB 3.57Å; L90-R373 HydrophobicContact CD2-CG 4.17Å; L90-R373 WeakPolarHBondContact O-CG 3.39Å; L90-V376 HydrophobicContact CB-CG2 4.31Å; L90-V376 HydrophobicContact CD1-CG2 3.78Å
91N92.7Very high94.2Very high65 Ų6568.9 Ų68.935%0.34837%0.366SS..  trans-89.8105.8177.3-62.3-32.8000109.3S87 V376 Q380S87-N91 VanDerWaalsContact O-CB 3.31Å; S87-N91 WeakPolarHBondContact O-CB 3.34Å; S87-N91 PolarHBondContact O-N 3.45Å; S87-N91 PolarHBondContact O-ND2 3.39Å; N91-V376 WeakPolarHBondContact OD1-CG1 3.23Å; N91-Q380 PolarHBondContact OD1-NE2 3.14Å
92R91.5Very high94.4Very high55 Ų5566.2 Ų66.221%0.20835%0.348CS..  trans-115.799171-72.5-75.3171.9-79.8-1.7107.6A88 L90 K301 M303 T322A88-R92 PolarHBondContact O-NH1 2.75Å; A88-R92 PolarHBondContact O-NH2 2.67Å; L90-R92 PolarHBondContact O-N 3.36Å; R92-K301 PolarHBondContact NH2-O 3.49Å; R92-M303 PolarHBondContact NE-O 2.92Å; R92-T322 HydrophobicContact CB-CG2 4.29Å
93E91.3Very high94.6Very high128 Ų12859.2 Ų59.260%0.59832%0.322SS*.  trans-124.6129169.5-67.3-176173.200106.3R321E93-R321 IonicContact OE1-NE 3.7Å; E93-R321 IonicContact OE1-NH2 3.71Å
94V94.2Very high94.8Very high21 Ų2155.6 Ų55.613%0.12731%0.306CS..  trans-119.7125-178.9177.20000106.9F96 Y194 A304 T322 F323V94-F96 HydrophobicContact CG1-CB 4.12Å; V94-F96 PolarHBondContact O-N 2.95Å; V94-Y194 HydrophobicContact CB-CE1 4.47Å; V94-Y194 HydrophobicContact CG1-CD1 3.78Å; V94-Y194 HydrophobicContact CG1-CD2 3.98Å; V94-Y194 HydrophobicContact CG1-CE1 3.34Å; V94-Y194 HydrophobicContact CG1-CE2 3.54Å; V94-Y194 HydrophobicContact CG1-CG 4.08Å; V94-Y194 HydrophobicContact CG2-CD1 4.25Å; V94-Y194 HydrophobicContact CG2-CE1 4.27Å; V94-A304 HydrophobicContact CG2-CB 4.17Å; V94-T322 HydrophobicContact CB-CG2 4.47Å; V94-T322 WeakPolarHBondContact CB-O 3.32Å; V94-T322 HydrophobicContact CG2-CG2 3.89Å; V94-T322 PolarHBondContact N-O 3.41Å; V94-F323 HydrophobicContact CB-CD1 4.28Å; V94-F323 HydrophobicContact CB-CE1 4.45Å; V94-F323 HydrophobicContact CG1-CD1 4.34Å; V94-F323 HydrophobicContact CG1-CE1 4.41Å; V94-F323 HydrophobicContact CG2-CE1 4.47Å
95D94.2Very high94.9Very high149 Ų14947.8 Ų47.880%0.79726%0.264SS*.  trans-76.172.9169.4-173.124.1000109.1N97D95-N97 PolarHBondContact O-N 3.46Å
96F96.6Very high95Very high21 Ų2147.7 Ų47.79%0.09226%0.264CS..  trans-75.4108.6-173.5177.1-110.4000110.8V94 I98 D102 I104 W151 Y194 F323 L325V94-F96 HydrophobicContact CG1-CB 4.12Å; V94-F96 PolarHBondContact O-N 2.95Å; F96-I98 HydrophobicContact CD1-CB 4.48Å; F96-I98 HydrophobicContact CE1-CB 3.77Å; F96-I98 HydrophobicContact CE1-CD1 4.44Å; F96-I98 HydrophobicContact CE1-CG1 4.12Å; F96-I98 HydrophobicContact CZ-CB 4.2Å; F96-I98 HydrophobicContact CZ-CG1 4.29Å; F96-D102 HydrophobicContact CD2-CB 3.77Å; F96-D102 HydrophobicContact CE2-CB 3.71Å; F96-I104 HydrophobicContact CD2-CD1 4.45Å; F96-I104 HydrophobicContact CD2-CG1 4.29Å; F96-I104 HydrophobicContact CE1-CD1 4.27Å; F96-I104 HydrophobicContact CE2-CD1 4.07Å; F96-I104 HydrophobicContact CE2-CG1 3.78Å; F96-I104 HydrophobicContact CZ-CD1 3.97Å; F96-I104 HydrophobicContact CZ-CG1 4.09Å; F96-W151 HydrophobicContact CE1-CE3 4.45Å; F96-W151 AromaticContact CZ-CE3 3.94Å; F96-W151 HydrophobicContact CZ-CE3 3.94Å; F96-Y194 AromaticContact CD2-CD2 3.88Å; F96-Y194 HydrophobicContact CD2-CD2 3.88Å; F96-Y194 AromaticContact CD2-CE2 3.95Å; F96-Y194 HydrophobicContact CD2-CE2 3.95Å; F96-Y194 HydrophobicContact CE2-CD2 4.39Å; F96-F323 HydrophobicContact CB-CB 4.32Å; F96-F323 HydrophobicContact CB-CD1 3.94Å; F96-F323 HydrophobicContact CD2-CD1 4.3Å; F96-F323 HydrophobicContact CG-CD1 4.06Å; F96-L325 HydrophobicContact CD1-CD1 4.11Å; F96-L325 HydrophobicContact CD1-CG 4.49Å; F96-L325 HydrophobicContact CE1-CD1 4.17Å
97N95.3Very high95.1Very high80 Ų8044 Ų4443%0.42824%0.241SC..  trans-99.291.4178.8-174.4-0000111.5D95 K99 G100 D102D95-N97 PolarHBondContact O-N 3.46Å; N97-K99 PolarHBondContact O-N 2.88Å; N97-K99 PolarHBondContact OD1-N 3.25Å; N97-K99 VanDerWaalsContact OD1-N 3.13Å; N97-G100 VanDerWaalsContact CG-N 3.32Å; N97-G100 PolarHBondContact O-N 3.46Å; N97-G100 PolarHBondContact OD1-N 3.24Å; N97-D102 PolarHBondContact N-OD2 3.2Å
98I95.3Very high95.3Very high29 Ų2940.1 Ų40.115%0.14921%0.213CC..THydrogen-bonded Turntrans-59.8-28.5177.2-161.5172.1000113.3F96 L127 R144 W151F96-I98 HydrophobicContact CD1-CB 4.48Å; F96-I98 HydrophobicContact CE1-CB 3.77Å; F96-I98 HydrophobicContact CE1-CD1 4.44Å; F96-I98 HydrophobicContact CE1-CG1 4.12Å; F96-I98 HydrophobicContact CZ-CB 4.2Å; F96-I98 HydrophobicContact CZ-CG1 4.29Å; I98-L127 HydrophobicContact CD1-CD2 3.73Å; I98-R144 WeakPolarHBondContact O-CD 3.3Å; I98-R144 WeakPolarHBondContact O-CG 3.42Å; I98-R144 PolarHBondContact O-NH1 2.98Å; I98-W151 HydrophobicContact CD1-CD2 3.84Å; I98-W151 HydrophobicContact CD1-CE3 4.46Å; I98-W151 HydrophobicContact CD1-CG 3.86Å; I98-W151 HydrophobicContact CG1-CB 3.9Å; I98-W151 HydrophobicContact CG1-CD2 4.09Å; I98-W151 HydrophobicContact CG1-CG 3.68Å
99K93.8Very high95.5Very high102 Ų10236.8 Ų36.844%0.44319%0.185SC..THydrogen-bonded Turntrans-81.7-23.7177.4-62.4-173.4-178.3-171.20112.7N97 E128 P145 K147N97-K99 PolarHBondContact O-N 2.88Å; N97-K99 PolarHBondContact OD1-N 3.25Å; N97-K99 VanDerWaalsContact OD1-N 3.13Å; K99-E128 WeakPolarHBondContact CE-OE2 3.2Å; K99-E128 IonicContact NZ-OE1 3.88Å; K99-E128 PolarHBondContact NZ-OE1 2.04Å; K99-E128 IonicContact NZ-OE2 3.31Å; K99-E128 PolarHBondContact NZ-OE2 2.9Å; K99-P145 HydrophobicContact CG-CB 4.44Å; K99-P145 HydrophobicContact CG-CG 4.28Å; K99-K147 PolarHBondContact O-NZ 2.76Å
100G91.4Very high95.6Very high13 Ų1336.1 Ų36.113%0.13418%0.182CC..THydrogen-bonded Turntrans-74.6-137.4174.300000111.9N97 R144 K147N97-G100 VanDerWaalsContact CG-N 3.32Å; N97-G100 PolarHBondContact O-N 3.46Å; N97-G100 PolarHBondContact OD1-N 3.24Å; G100-R144 WeakPolarHBondContact O-CD 3.44Å; G100-R144 PolarHBondContact O-NE 3.48Å; G100-R144 PolarHBondContact O-NH1 2.91Å; G100-K147 PolarHBondContact O-NZ 2.82Å
101D90.7Very high95.6Very high39 Ų3936.9 Ų36.921%0.20918%0.184CC..THydrogen-bonded Turntrans-119.87.5-173.3-53.7-54.2000113.1R144 K147 R191D101-R144 PolarHBondContact O-NH2 3.5Å; D101-K147 IonicContact OD1-NZ 3.55Å; D101-K147 PolarHBondContact OD1-NZ 2.99Å; D101-R191 HydrophobicContact CB-CG 4.13Å
102D95.3Very high95.9Very high10 Ų1033.8 Ų33.85%0.05317%0.167CC..  trans-68.3139-179.6-69.3-7.5000112.3F96 N97 R144 N192 Y194F96-D102 HydrophobicContact CD2-CB 3.77Å; F96-D102 HydrophobicContact CE2-CB 3.71Å; N97-D102 PolarHBondContact N-OD2 3.2Å; D102-R144 VanDerWaalsContact O-CZ 3.29Å; D102-R144 PolarHBondContact O-NH1 3.19Å; D102-R144 PolarHBondContact O-NH2 3.5Å; D102-N192 WeakPolarHBondContact OD1-CB 3.17Å; D102-N192 PolarHBondContact OD1-ND2 3.25Å; D102-Y194 HydrophobicContact CB-CD2 4.32Å; D102-Y194 HydrophobicContact CB-CE2 3.76Å
103V97.3Very high96.1Very high0 Ų032.6 Ų32.60%017%0.172CC..EExtended strand (participates in β ladder)trans-129.7125.3-178.2-179.50000110.3V105 W151 F153 M179 N192 Y193 Y194V103-V105 HydrophobicContact CG1-CG2 4.15Å; V103-W151 WeakPolarHBondContact CA-O 3.31Å; V103-F153 HydrophobicContact CG1-CB 4.11Å; V103-M179 HydrophobicContact CB-CE 4.42Å; V103-M179 HydrophobicContact CG1-CE 3.83Å; V103-M179 HydrophobicContact CG2-CE 3.63Å; V103-N192 PolarHBondContact N-O 2.87Å; V103-Y193 HydrophobicContact CB-CD1 3.88Å; V103-Y193 HydrophobicContact CB-CE1 4.19Å; V103-Y193 HydrophobicContact CG1-CD1 4.25Å; V103-Y193 HydrophobicContact CG2-CD1 4.44Å; V103-Y193 HydrophobicContact CG2-CE1 4.26Å; V103-Y193 CarbonylContact O-C 3.56Å; V103-Y193 WeakPolarHBondContact O-CA 3.49Å; V103-Y194 PolarHBondContact O-N 2.86Å
104I98.6Very high96.3Very high0 Ų026.5 Ų26.50%014%0.144CC..EExtended strand (participates in β ladder)trans-82.1129.9167.4-67.9174.8000108.7F96 W151 L152 F153 Y194 I196 F319 F323F96-I104 HydrophobicContact CD2-CD1 4.45Å; F96-I104 HydrophobicContact CD2-CG1 4.29Å; F96-I104 HydrophobicContact CE1-CD1 4.27Å; F96-I104 HydrophobicContact CE2-CD1 4.07Å; F96-I104 HydrophobicContact CE2-CG1 3.78Å; F96-I104 HydrophobicContact CZ-CD1 3.97Å; F96-I104 HydrophobicContact CZ-CG1 4.09Å; I104-W151 HydrophobicContact CD1-CZ3 4.27Å; I104-W151 PolarHBondContact N-O 2.89Å; I104-L152 HydrophobicContact CB-CD1 3.91Å; I104-L152 HydrophobicContact CG2-CD1 3.75Å; I104-F153 PolarHBondContact O-N 3.37Å; I104-Y194 WeakPolarHBondContact CA-O 3.25Å; I104-I196 HydrophobicContact CG2-CD1 3.48Å; I104-I196 VanDerWaalsContact CG2-CD1 3.48Å; I104-I196 HydrophobicContact CG2-CG1 3.92Å; I104-I196 HydrophobicContact CG2-CG2 4.39Å; I104-F319 HydrophobicContact CD1-CZ 4.32Å; I104-F323 HydrophobicContact CD1-CD1 3.87Å; I104-F323 HydrophobicContact CD1-CD2 4.41Å; I104-F323 HydrophobicContact CD1-CE1 3.9Å; I104-F323 HydrophobicContact CD1-CE2 4.42Å; I104-F323 HydrophobicContact CD1-CG 4.14Å; I104-F323 HydrophobicContact CD1-CZ 4.18Å; I104-F323 HydrophobicContact CG1-CD1 4.29Å; I104-F323 HydrophobicContact CG1-CE1 3.9Å; I104-F323 HydrophobicContact CG1-CZ 4.25Å
105V98.8Very high96.4Very high0 Ų027.7 Ų27.70%015%0.151CC..EExtended strand (participates in β ladder)trans-115.5110.7179.4-174.70000109.3V103 L107 F153 L171 V175 Y193 Y194 Y195 I196V103-V105 HydrophobicContact CG1-CG2 4.15Å; V105-L107 PolarHBondContact O-N 3.41Å; V105-F153 HydrophobicContact CG1-CB 4.38Å; V105-F153 HydrophobicContact CG1-CD1 4.08Å; V105-F153 HydrophobicContact CG2-CB 4.22Å; V105-L171 HydrophobicContact CG1-CD1 4.34Å; V105-V175 HydrophobicContact CG1-CG2 4.07Å; V105-V175 HydrophobicContact CG2-CG1 3.95Å; V105-Y193 HydrophobicContact CG2-CD1 4.03Å; V105-Y194 PolarHBondContact N-O 2.97Å; V105-Y195 HydrophobicContact CB-CD1 3.89Å; V105-Y195 HydrophobicContact CB-CE1 3.96Å; V105-Y195 HydrophobicContact CB-CG 4.27Å; V105-Y195 HydrophobicContact CG1-CD1 3.8Å; V105-Y195 HydrophobicContact CG1-CE1 3.58Å; V105-Y195 HydrophobicContact CG2-CE1 4.43Å; V105-Y195 WeakPolarHBondContact O-CA 3.43Å; V105-I196 PolarHBondContact O-N 3.41Å
106F98.9Very high96.5Very high12 Ų1223.5 Ų23.55%0.05313%0.131CC..EExtended strand (participates in β ladder)trans-93.1103.6-179.4178.4-144.7000112H108 G114 F117 L121 F153 I196 I198F106-H108 HydrophobicContact CD1-CB 4.44Å; F106-H108 HydrophobicContact CE1-CB 4.01Å; F106-H108 HydrophobicContact CE2-CB 4.48Å; F106-H108 HydrophobicContact CZ-CB 4.03Å; F106-H108 PolarHBondContact O-N 3.48Å; F106-G114 WeakPolarHBondContact CE1-O 3.41Å; F106-F117 HydrophobicContact CD2-CD1 4.31Å; F106-F117 HydrophobicContact CD2-CE1 4.37Å; F106-F117 HydrophobicContact CE1-CD1 4.14Å; F106-F117 AromaticContact CE2-CD1 3.83Å; F106-F117 HydrophobicContact CE2-CD1 3.83Å; F106-F117 HydrophobicContact CE2-CE1 4.26Å; F106-F117 AromaticContact CZ-CD1 3.74Å; F106-F117 HydrophobicContact CZ-CD1 3.74Å; F106-L121 HydrophobicContact CB-CD1 4.08Å; F106-L121 HydrophobicContact CD1-CD1 4.02Å; F106-L121 HydrophobicContact CG-CD1 4.07Å; F106-F153 PolarHBondContact N-O 3.19Å; F106-I196 HydrophobicContact CB-CD1 4.39Å; F106-I196 HydrophobicContact CB-CG1 4.06Å; F106-I196 HydrophobicContact CD2-CG1 4.05Å; F106-I196 HydrophobicContact CG-CG1 4.43Å; F106-I198 HydrophobicContact CE2-CG1 4.17Å; F106-I198 HydrophobicContact CZ-CG1 4.38Å
107L98.9Very high96.5Very high0 Ų022.7 Ų22.70%013%0.127CC..EExtended strand (participates in β ladder)trans-77103.5170.4-169.7169000109.1V105 I109 W168 L171 I196 T197 L269 M303V105-L107 PolarHBondContact O-N 3.41Å; L107-I109 HydrophobicContact CD2-CD1 4.06Å; L107-I109 HydrophobicContact CD2-CG1 3.43Å; L107-I109 VanDerWaalsContact CD2-CG1 3.43Å; L107-W168 HydrophobicContact CD1-CB 3.85Å; L107-L171 HydrophobicContact CB-CD1 3.69Å; L107-L171 HydrophobicContact CD1-CD1 4.16Å; L107-L171 HydrophobicContact CG-CD1 3.7Å; L107-I196 PolarHBondContact N-O 2.92Å; L107-T197 WeakPolarHBondContact O-CB 3.38Å; L107-T197 PolarHBondContact O-OG1 3.3Å; L107-L269 HydrophobicContact CD1-CD2 4.11Å; L107-M303 HydrophobicContact CD1-CE 4.06Å
108H98.8Very high96.7Very high10 Ų1018.9 Ų18.95%0.04611%0.107CC..  trans-94.3100.3-177-179.4-173.9000111.2F106 G114 W160 H165F106-H108 HydrophobicContact CD1-CB 4.44Å; F106-H108 HydrophobicContact CE1-CB 4.01Å; F106-H108 HydrophobicContact CE2-CB 4.48Å; F106-H108 HydrophobicContact CZ-CB 4.03Å; F106-H108 PolarHBondContact O-N 3.48Å; H108-G114 WeakPolarHBondContact NE2-CA 3.36Å; H108-W160 HydrophobicContact CB-CH2 4.32Å; H108-W160 AromaticContact ND1-CH2 3.93Å; H108-H165 AromaticContact CD2-CE1 3.96Å; H108-H165 AromaticContact CE1-CE1 3.72Å; H108-H165 AromaticContact CG-CE1 3.86Å; H108-H165 AromaticContact CG-ND1 3.99Å; H108-H165 AromaticContact ND1-CE1 3.7Å; H108-H165 AromaticContact NE2-CE1 3.88Å; H108-H165 PolarHBondContact O-ND1 2.91Å
109I98.9Very high96.7Very high0 Ų022.2 Ų22.20%012%0.118CC..  trans-76.2138.7171.9-57.9168000110L107 K111 T112 L199 R264 Q265 M268 L269L107-I109 HydrophobicContact CD2-CD1 4.06Å; L107-I109 HydrophobicContact CD2-CG1 3.43Å; L107-I109 VanDerWaalsContact CD2-CG1 3.43Å; I109-K111 PolarHBondContact O-N 2.92Å; I109-T112 HydrophobicContact CB-CG2 3.92Å; I109-T112 HydrophobicContact CG2-CG2 3.94Å; I109-T112 PolarHBondContact O-OG1 3.34Å; I109-L199 HydrophobicContact CD1-CD2 3.71Å; I109-R264 HydrophobicContact CG2-CG 4.01Å; I109-Q265 HydrophobicContact CD1-CB 4.4Å; I109-Q265 HydrophobicContact CD1-CG 4.33Å; I109-Q265 HydrophobicContact CG2-CG 4.08Å; I109-M268 HydrophobicContact CB-SD 4.46Å; I109-M268 HydrophobicContact CG1-CB 4.24Å; I109-M268 HydrophobicContact CG1-CE 4.35Å; I109-M268 HydrophobicContact CG1-SD 4.41Å; I109-M268 HydrophobicContact CG2-SD 3.93Å; I109-L269 HydrophobicContact CD1-CD1 4.21Å; I109-L269 HydrophobicContact CD1-CD2 4.25Å; I109-L269 HydrophobicContact CD1-CG 3.97Å
110Q98.6Very high97Very high4 Ų418.3 Ų18.32%0.01910%0.101CC..THydrogen-bonded Turntrans-56.8133.5179.6-65.881.6-11.800111T112 H165 W219 R264 M268Q110-T112 VanDerWaalsContact C-N 3.31Å; Q110-T112 PolarHBondContact O-N 3.08Å; Q110-H165 VanDerWaalsContact NE2-CG 3.34Å; Q110-W219 HydrophobicContact CB-CH2 4.24Å; Q110-W219 HydrophobicContact CB-CZ2 4.03Å; Q110-W219 HydrophobicContact CG-CD2 3.88Å; Q110-W219 HydrophobicContact CG-CE3 4.29Å; Q110-W219 HydrophobicContact CG-CG 4.37Å; Q110-W219 HydrophobicContact CG-CH2 4.15Å; Q110-W219 HydrophobicContact CG-CZ2 3.69Å; Q110-W219 HydrophobicContact CG-CZ3 4.41Å; Q110-R264 VanDerWaalsContact CD-NH1 3.27Å; Q110-M268 PolarHBondContact OE1-SD 3.5Å
111K97.6Very high97.3Very high37 Ų3717.8 Ų17.816%0.16110%0.095CC..THydrogen-bonded Turntrans6820.1169.3-43.4-51.1-55-1790116.4I109 R200 R205 S208 E209 H212 W219I109-K111 PolarHBondContact O-N 2.92Å; K111-R200 VanDerWaalsContact O-CD 3.23Å; K111-R200 WeakPolarHBondContact O-CD 3.09Å; K111-R200 PolarHBondContact O-NH1 3.35Å; K111-R205 HydrophobicContact CB-CG 4.21Å; K111-S208 VanDerWaalsContact CE-O 3.3Å; K111-S208 WeakPolarHBondContact CE-O 3.21Å; K111-S208 WeakPolarHBondContact CE-OG 3.47Å; K111-E209 HydrophobicContact CG-CB 3.76Å; K111-E209 HydrophobicContact CG-CG 4.25Å; K111-H212 HydrophobicContact CD-CB 4.16Å; K111-H212 PolarHBondContact NZ-ND1 3.17Å; K111-W219 HydrophobicContact CD-CH2 4.17Å; K111-W219 HydrophobicContact CD-CZ2 4.15Å; K111-W219 HydrophobicContact CG-CH2 4.48Å
112T97.8Very high97.7Very high0 Ų016.2 Ų16.20%09%0.087CC..SBendtrans-95.923.5172.963.10000113.4I109 Q110 G114 I198 R200 R205 T309I109-T112 HydrophobicContact CB-CG2 3.92Å; I109-T112 HydrophobicContact CG2-CG2 3.94Å; I109-T112 PolarHBondContact O-OG1 3.34Å; Q110-T112 VanDerWaalsContact C-N 3.31Å; Q110-T112 PolarHBondContact O-N 3.08Å; T112-G114 PolarHBondContact O-N 2.92Å; T112-I198 WeakPolarHBondContact CB-O 3.33Å; T112-I198 WeakPolarHBondContact CG2-O 3.36Å; T112-I198 WeakPolarHBondContact O-CG2 3.11Å; T112-I198 PolarHBondContact OG1-O 2.93Å; T112-R200 HydrophobicContact CG2-CB 4.12Å; T112-R205 HydrophobicContact CG2-CG 4.18Å; T112-T309 PolarHBondContact O-OG1 2.96Å
113G96Very high97.8Very high29 Ų2922.4 Ų22.430%0.29911%0.11SC..SBendtrans71.710-176.100000114.6T115 T116 F117G113-T115 PolarHBondContact O-N 2.92Å; G113-T115 VanDerWaalsContact O-N 3.13Å; G113-T116 PolarHBondContact O-N 3.44Å; G113-F117 PolarHBondContact O-N 2.97Å; G113-F117 VanDerWaalsContact O-N 3.15Å
114G95.6Very high97.8Very high1 Ų122.6 Ų22.61%0.0111%0.111CC..Hα-helixtrans-63.2-19.5-176.900000115.5F106 H108 T112 G118F106-G114 WeakPolarHBondContact CE1-O 3.41Å; H108-G114 WeakPolarHBondContact NE2-CA 3.36Å; T112-G114 PolarHBondContact O-N 2.92Å; G114-G118 WeakPolarHBondContact O-CA 3.48Å; G114-G118 PolarHBondContact O-N 2.62Å
115T95.1Very high97.8Very high45 Ų4523 Ų2328%0.27611%0.113SC..Hα-helixtrans-63.5-45.5168.1-650000111.4G113 R119 R155 F156G113-T115 PolarHBondContact O-N 2.92Å; G113-T115 VanDerWaalsContact O-N 3.13Å; T115-R119 VanDerWaalsContact CG2-CZ 3.41Å; T115-R119 VanDerWaalsContact O-CG 3.31Å; T115-R119 WeakPolarHBondContact O-CG 3.19Å; T115-R119 PolarHBondContact O-N 3.43Å; T115-R119 VanDerWaalsContact O-N 3.16Å; T115-R155 PolarHBondContact OG1-NH1 3.02Å; T115-F156 HydrophobicContact CG2-CZ 4.18Å; T115-F156 WeakPolarHBondContact O-CE2 3.32Å
116T96.4Very high97.7Very high61 Ų6128.8 Ų28.837%0.37414%0.14SC..Hα-helixtrans-67.9-49.9178.4-570000110.3G113 G118 R119 H120G113-T116 PolarHBondContact O-N 3.44Å; T116-G118 PolarHBondContact O-N 3.43Å; T116-R119 WeakPolarHBondContact O-CB 3.34Å; T116-R119 PolarHBondContact O-N 3.44Å; T116-R119 VanDerWaalsContact O-N 3.11Å; T116-H120 PolarHBondContact O-CD2 3.25Å; T116-H120 PolarHBondContact O-N 3.16Å; T116-H120 VanDerWaalsContact O-N 3.07Å
117F98.2Very high97.6Very high4 Ų429.2 Ų29.22%0.01814%0.142CC..Hα-helixtrans-60.8-44.2178.9-175.1-107.7000112.6F106 G113 R119 H120 L121 I196 I198 F305 T315 F319 F331F106-F117 HydrophobicContact CD2-CD1 4.31Å; F106-F117 HydrophobicContact CD2-CE1 4.37Å; F106-F117 HydrophobicContact CE1-CD1 4.14Å; F106-F117 AromaticContact CE2-CD1 3.83Å; F106-F117 HydrophobicContact CE2-CD1 3.83Å; F106-F117 HydrophobicContact CE2-CE1 4.26Å; F106-F117 AromaticContact CZ-CD1 3.74Å; F106-F117 HydrophobicContact CZ-CD1 3.74Å; G113-F117 PolarHBondContact O-N 2.97Å; G113-F117 VanDerWaalsContact O-N 3.15Å; F117-R119 VanDerWaalsContact C-N 3.27Å; F117-R119 PolarHBondContact O-N 3.32Å; F117-H120 WeakPolarHBondContact O-CA 3.36Å; F117-H120 WeakPolarHBondContact O-CB 3.26Å; F117-H120 PolarHBondContact O-N 3.22Å; F117-L121 HydrophobicContact CD1-CD1 4.16Å; F117-L121 HydrophobicContact CD1-CG 4.35Å; F117-L121 HydrophobicContact CE1-CD1 3.84Å; F117-L121 HydrophobicContact CE1-CD2 4.05Å; F117-L121 HydrophobicContact CE1-CG 4.06Å; F117-L121 HydrophobicContact CZ-CD2 3.93Å; F117-L121 HydrophobicContact CZ-CG 4.37Å; F117-L121 PolarHBondContact O-N 3.16Å; F117-I196 HydrophobicContact CE1-CD1 3.81Å; F117-I196 HydrophobicContact CZ-CD1 4.2Å; F117-I198 HydrophobicContact CB-CD1 4.23Å; F117-I198 HydrophobicContact CB-CG1 3.84Å; F117-I198 HydrophobicContact CD1-CD1 3.7Å; F117-I198 HydrophobicContact CD1-CG1 3.53Å; F117-I198 HydrophobicContact CD2-CD1 3.76Å; F117-I198 HydrophobicContact CD2-CG1 4.27Å; F117-I198 HydrophobicContact CE1-CD1 3.91Å; F117-I198 HydrophobicContact CE1-CG1 4.12Å; F117-I198 HydrophobicContact CE2-CD1 3.98Å; F117-I198 HydrophobicContact CG-CD1 3.61Å; F117-I198 HydrophobicContact CG-CG1 3.61Å; F117-I198 HydrophobicContact CZ-CD1 4.05Å; F117-F305 HydrophobicContact CE2-CE1 4.27Å; F117-F305 HydrophobicContact CZ-CD1 4.45Å; F117-F305 AromaticContact CZ-CE1 3.82Å; F117-F305 HydrophobicContact CZ-CE1 3.82Å; F117-T315 HydrophobicContact CD2-CG2 4.39Å; F117-T315 HydrophobicContact CE2-CG2 4.2Å; F117-F319 HydrophobicContact CE2-CD2 4.44Å; F117-F319 AromaticContact CZ-CD2 3.85Å; F117-F319 HydrophobicContact CZ-CD2 3.85Å; F117-F319 HydrophobicContact CZ-CE2 4.15Å; F117-F331 AromaticContact CD2-CE2 3.87Å; F117-F331 HydrophobicContact CD2-CE2 3.87Å; F117-F331 HydrophobicContact CD2-CZ 4.19Å; F117-F331 HydrophobicContact CE2-CE2 4.08Å; F117-F331 HydrophobicContact CE2-CZ 4.25Å
118G97.9Very high97.4Very high0 Ų035.9 Ų35.90%017%0.174CC..Hα-helixtrans-60.9-33.6175.900000113.3G114 T116 L121 V122G114-G118 WeakPolarHBondContact O-CA 3.48Å; G114-G118 PolarHBondContact O-N 2.62Å; T116-G118 PolarHBondContact O-N 3.43Å; G118-L121 PolarHBondContact O-N 2.97Å; G118-V122 PolarHBondContact O-N 3Å
119R97.2Very high97.3Very high100 Ų10039 Ų3938%0.37719%0.185SC..Hα-helixtrans-67.9-39.2172.7-73.7175.2-167.3142.2-5.8111.3T115 T116 F117 L121 V122 R123 F156T115-R119 VanDerWaalsContact CG2-CZ 3.41Å; T115-R119 VanDerWaalsContact O-CG 3.31Å; T115-R119 WeakPolarHBondContact O-CG 3.19Å; T115-R119 PolarHBondContact O-N 3.43Å; T115-R119 VanDerWaalsContact O-N 3.16Å; T116-R119 WeakPolarHBondContact O-CB 3.34Å; T116-R119 PolarHBondContact O-N 3.44Å; T116-R119 VanDerWaalsContact O-N 3.11Å; F117-R119 VanDerWaalsContact C-N 3.27Å; F117-R119 PolarHBondContact O-N 3.32Å; R119-L121 VanDerWaalsContact C-N 3.29Å; R119-L121 PolarHBondContact O-N 3.08Å; R119-V122 PolarHBondContact O-N 3.46Å; R119-R123 WeakPolarHBondContact O-CB 3.48Å; R119-R123 PolarHBondContact O-N 3.45Å; R119-F156 HydrophobicContact CG-CD2 4.35Å; R119-F156 HydrophobicContact CG-CE2 3.85Å; R119-F156 HydrophobicContact CG-CZ 4.38Å
120H98.3Very high97.2Very high20 Ų2043 Ų439%0.09321%0.211CC..Hα-helixtrans-59.3-41.3173.8-70-58.1000111.7T116 F117 V122 N124 F327 F331T116-H120 PolarHBondContact O-CD2 3.25Å; T116-H120 PolarHBondContact O-N 3.16Å; T116-H120 VanDerWaalsContact O-N 3.07Å; F117-H120 WeakPolarHBondContact O-CA 3.36Å; F117-H120 WeakPolarHBondContact O-CB 3.26Å; F117-H120 PolarHBondContact O-N 3.22Å; H120-V122 VanDerWaalsContact C-N 3.29Å; H120-V122 PolarHBondContact O-N 2.88Å; H120-N124 HydrophobicContact CB-CB 4.09Å; H120-N124 PolarHBondContact ND1-ND2 3.21Å; H120-N124 WeakPolarHBondContact O-CA 3.13Å; H120-N124 WeakPolarHBondContact O-CB 3.05Å; H120-N124 PolarHBondContact O-N 2.98Å; H120-F327 HydrophobicContact CB-CD1 4.21Å; H120-F327 HydrophobicContact CB-CE1 3.79Å; H120-F331 HydrophobicContact CB-CE1 3.66Å; H120-F331 HydrophobicContact CB-CZ 3.65Å; H120-F331 AromaticContact CD2-CD1 3.75Å; H120-F331 AromaticContact CD2-CE1 3.46Å; H120-F331 VanDerWaalsContact CD2-CE1 3.46Å; H120-F331 WeakPolarHBondContact CD2-CE1 3.37Å; H120-F331 AromaticContact CD2-CE2 3.86Å; H120-F331 AromaticContact CD2-CZ 3.51Å; H120-F331 AromaticContact CE1-CD1 3.65Å; H120-F331 AromaticContact CE1-CE1 3.85Å; H120-F331 AromaticContact CG-CD1 3.9Å; H120-F331 AromaticContact CG-CE1 3.31Å; H120-F331 AromaticContact CG-CZ 3.59Å; H120-F331 AromaticContact ND1-CD1 3.83Å; H120-F331 AromaticContact ND1-CE1 3.57Å; H120-F331 AromaticContact NE2-CD1 3.62Å; H120-F331 AromaticContact NE2-CE1 3.83Å; H120-F331 AromaticContact NE2-CG 3.87Å
121L98.5Very high97.2Very high1 Ų143.6 Ų43.61%0.00522%0.215CC..Hα-helixtrans-61-34179.1-63.3178.6000113.9F106 F117 G118 R119 I125 L152 I196 F319F106-L121 HydrophobicContact CB-CD1 4.08Å; F106-L121 HydrophobicContact CD1-CD1 4.02Å; F106-L121 HydrophobicContact CG-CD1 4.07Å; F117-L121 HydrophobicContact CD1-CD1 4.16Å; F117-L121 HydrophobicContact CD1-CG 4.35Å; F117-L121 HydrophobicContact CE1-CD1 3.84Å; F117-L121 HydrophobicContact CE1-CD2 4.05Å; F117-L121 HydrophobicContact CE1-CG 4.06Å; F117-L121 HydrophobicContact CZ-CD2 3.93Å; F117-L121 HydrophobicContact CZ-CG 4.37Å; F117-L121 PolarHBondContact O-N 3.16Å; G118-L121 PolarHBondContact O-N 2.97Å; R119-L121 VanDerWaalsContact C-N 3.29Å; R119-L121 PolarHBondContact O-N 3.08Å; L121-I125 HydrophobicContact CD2-CD1 4.11Å; L121-L152 HydrophobicContact CB-CD2 3.99Å; L121-L152 HydrophobicContact CD1-CD1 4.25Å; L121-I196 HydrophobicContact CD1-CD1 4.01Å; L121-I196 HydrophobicContact CD2-CD1 4.35Å; L121-F319 HydrophobicContact CD2-CD2 4.48Å; L121-F319 HydrophobicContact CD2-CE1 4.4Å; L121-F319 HydrophobicContact CD2-CE2 3.58Å; L121-F319 HydrophobicContact CD2-CZ 3.53Å
122V98.2Very high97.2Very high7 Ų745.8 Ų45.84%0.04223%0.226CC..Hα-helixtrans-102.5-13.7-175.8-55.10000114.1G118 R119 H120 C131 C140 L152 F156G118-V122 PolarHBondContact O-N 3Å; R119-V122 PolarHBondContact O-N 3.46Å; H120-V122 VanDerWaalsContact C-N 3.29Å; H120-V122 PolarHBondContact O-N 2.88Å; V122-C131 HydrophobicContact CB-CB 4.44Å; V122-C131 WeakPolarHBondContact O-CB 3.25Å; V122-C140 HydrophobicContact CB-CB 4.33Å; V122-L152 HydrophobicContact CG1-CD2 3.6Å; V122-F156 HydrophobicContact CG1-CB 4.01Å; V122-F156 HydrophobicContact CG2-CB 4.04Å
123R97.3Very high97.1Very high140 Ų14047.7 Ų47.753%0.52824%0.239SC..Hα-helixtrans-127-16.5-176.1-59.4-170.4176.2175.8-5.1115.4R119R119-R123 WeakPolarHBondContact O-CB 3.48Å; R119-R123 PolarHBondContact O-N 3.45Å
124N97.9Very high96.9Very high4 Ų451.2 Ų51.22%0.02125%0.248CC..SBendtrans-122.14.2-166.9-162.237.8000113.3H120 F327 I328 A329H120-N124 HydrophobicContact CB-CB 4.09Å; H120-N124 PolarHBondContact ND1-ND2 3.21Å; H120-N124 WeakPolarHBondContact O-CA 3.13Å; H120-N124 WeakPolarHBondContact O-CB 3.05Å; H120-N124 PolarHBondContact O-N 2.98Å; N124-F327 HydrophobicContact CB-CD1 4.03Å; N124-F327 CarbonylContact O-C 3.58Å; N124-F327 WeakPolarHBondContact O-CA 3.38Å; N124-F327 WeakPolarHBondContact O-CB 3.46Å; N124-F327 VanDerWaalsContact O-CD1 3.29Å; N124-F327 WeakPolarHBondContact O-CD1 3.4Å; N124-I328 PolarHBondContact O-N 3.05Å; N124-A329 PolarHBondContact ND2-O 2.86Å; N124-A329 WeakPolarHBondContact OD1-CB 3.33Å; N124-A329 PolarHBondContact OD1-N 3.2Å
125I98Very high96.6Very high9 Ų956.1 Ų56.15%0.04629%0.288CS..BIsolated β-bridgetrans-90.6132.7174.8-58.7179000108.8L121 L127 W151 F319 L325 F327L121-I125 HydrophobicContact CD2-CD1 4.11Å; I125-L127 HydrophobicContact CB-CD1 4.44Å; I125-L127 HydrophobicContact CB-CD2 4.43Å; I125-L127 HydrophobicContact CB-CG 4.14Å; I125-L127 HydrophobicContact CG2-CD1 4.48Å; I125-L127 HydrophobicContact CG2-CD2 3.6Å; I125-L127 HydrophobicContact CG2-CG 3.79Å; I125-L127 PolarHBondContact O-N 3.49Å; I125-W151 HydrophobicContact CD1-CH2 4.21Å; I125-F319 HydrophobicContact CD1-CE1 3.94Å; I125-F319 HydrophobicContact CD1-CZ 4.03Å; I125-L325 HydrophobicContact CD1-CD1 4.48Å; I125-L325 HydrophobicContact CG2-CB 4.2Å; I125-L325 HydrophobicContact CG2-CD1 4.25Å; I125-L325 HydrophobicContact CG2-CD2 4.4Å; I125-F327 HydrophobicContact CD1-CE1 4.13Å; I125-F327 HydrophobicContact CG1-CD1 3.76Å; I125-F327 HydrophobicContact CG1-CE1 3.46Å; I125-F327 VanDerWaalsContact CG1-CE1 3.46Å; I125-F327 HydrophobicContact CG1-CZ 4.23Å
126Q97.6Very high96.2Very high120 Ų12058.2 Ų58.256%0.56132%0.319SS*.  trans-70.2108.8170.8-173.967.933.700109.1Q326 I328Q126-Q326 PolarHBondContact N-O 3.04Å; Q126-I328 HydrophobicContact CB-CG1 4.27Å
127L96.9Very high95.8Very high21 Ų2160.3 Ų60.311%0.1132%0.324CS..  trans-127.7147.3-176.7-63.8175.8000110.8I98 I125 R129 W151 L325I98-L127 HydrophobicContact CD1-CD2 3.73Å; I125-L127 HydrophobicContact CB-CD1 4.44Å; I125-L127 HydrophobicContact CB-CD2 4.43Å; I125-L127 HydrophobicContact CB-CG 4.14Å; I125-L127 HydrophobicContact CG2-CD1 4.48Å; I125-L127 HydrophobicContact CG2-CD2 3.6Å; I125-L127 HydrophobicContact CG2-CG 3.79Å; I125-L127 PolarHBondContact O-N 3.49Å; L127-R129 WeakPolarHBondContact CB-O 3.24Å; L127-R129 PolarHBondContact O-N 3.31Å; L127-W151 HydrophobicContact CD1-CH2 4.22Å; L127-W151 HydrophobicContact CD1-CZ2 3.51Å; L127-L325 HydrophobicContact CD2-CD2 4.31Å
128E95.6Very high95.4Very high141 Ų14168.4 Ų68.466%0.65936%0.36SS*.SBendtrans-57-40.8169.2179.3-177.5146.400111.2K99 P145K99-E128 WeakPolarHBondContact CE-OE2 3.2Å; K99-E128 IonicContact NZ-OE1 3.88Å; K99-E128 PolarHBondContact NZ-OE1 2.04Å; K99-E128 IonicContact NZ-OE2 3.31Å; K99-E128 PolarHBondContact NZ-OE2 2.9Å; E128-P145 HydrophobicContact CB-CG 4.34Å
129R96.1Very high95.3Very high74 Ų7473.4 Ų73.428%0.27938%0.381SS..SBendtrans-121.6103.9169.9-174.6-178.6-179.2178.83.9109.3L127 E132 R144 P145 K147L127-R129 WeakPolarHBondContact CB-O 3.24Å; L127-R129 PolarHBondContact O-N 3.31Å; R129-E132 IonicContact CZ-OE1 3Å; R129-E132 IonicContact NE-OE1 3.87Å; R129-E132 IonicContact NH2-OE1 3.72Å; R129-E132 PolarHBondContact NH2-OE1 3.24Å; R129-R144 PolarHBondContact NH1-O 2.88Å; R129-P145 HydrophobicContact CB-CG 4.16Å; R129-K147 PolarHBondContact NH1-O 3.16Å
130P97.2Very high95.3Very high84 Ų8468.9 Ų68.955%0.54537%0.365SS..  trans-61.9158.3173.8-23.334.6000112.4
131C97.7Very high95.2Very high17 Ų1770.4 Ų70.412%0.11538%0.375CS..  trans-69.4140.8169.9-570000110.8V122 C133 C140 T141 C142V122-C131 HydrophobicContact CB-CB 4.44Å; V122-C131 WeakPolarHBondContact O-CB 3.25Å; C131-C133 PolarHBondContact O-N 3.42Å; C131-C140 HydrophobicContact CB-CB 4.24Å; C131-T141 WeakPolarHBondContact CA-O 3.45Å; C131-C142 HydrophobicContact CB-CB 4.06Å; C131-C142 WeakPolarHBondContact CB-SG 3.44Å; C131-C142 VanDerWaalsContact SG-CA 3.52Å; C131-C142 WeakPolarHBondContact SG-CB 3.48Å; C131-C142 CovalentContact SG-SG 2.05Å; C131-C142 PolarHBondContact SG-SG 2.97Å
132E97.2Very high95.2Very high83 Ų8370.4 Ų70.439%0.38838%0.376SS..BIsolated β-bridgetrans-87.3106.3177-64.9161.3-151.600108.9R129 C140 T141R129-E132 IonicContact CZ-OE1 3Å; R129-E132 IonicContact NE-OE1 3.87Å; R129-E132 IonicContact NH2-OE1 3.72Å; R129-E132 PolarHBondContact NH2-OE1 3.24Å; E132-C140 CarbonylContact O-C 3.55Å; E132-C140 VanDerWaalsContact O-CA 3.3Å; E132-C140 WeakPolarHBondContact O-CA 3.46Å; E132-T141 PolarHBondContact N-O 3.4Å; E132-T141 PolarHBondContact O-N 2.97Å
133C96Very high95.1Very high41 Ų4171.7 Ų71.728%0.27738%0.382SS..  trans-114.2106-179-67.20000110.7C131 C140C131-C133 PolarHBondContact O-N 3.42Å; C133-C140 HydrophobicContact CB-CB 4.01Å; C133-C140 WeakPolarHBondContact CB-SG 3.49Å; C133-C140 WeakPolarHBondContact SG-CB 3.43Å; C133-C140 CovalentContact SG-SG 2.03Å; C133-C140 PolarHBondContact SG-SG 3.47Å
134H92.2Very high95Very high102 Ų10265 Ų6547%0.47236%0.357SS..  trans-85.3142.4177.7-57.9-72.6000112.4G136 Q137H134-G136 PolarHBondContact O-N 2.85Å; H134-Q137 HydrophobicContact CB-CB 4.44Å; H134-Q137 HydrophobicContact CB-CG 4.13Å; H134-Q137 WeakPolarHBondContact O-CB 3.27Å; H134-Q137 PolarHBondContact O-N 3.44Å; H134-Q137 VanDerWaalsContact O-N 3.09Å
135A88.7Confident94.9Very high105 Ų10565.8 Ų65.887%0.86836%0.362SS*.THydrogen-bonded Turntrans-56.5139.3173.600000110.8Q137A135-Q137 PolarHBondContact O-N 2.92Å
136G86.3Confident94.5Very high89 Ų8969.4 Ų69.492%0.91840%0.402SS*.THydrogen-bonded Turntrans79.9-19.3-174.800000115.2H134H134-G136 PolarHBondContact O-N 2.85Å
137Q88.9Confident94.1Very high105 Ų10567.3 Ų67.349%0.49139%0.391SS..  trans-86.8129.7175.1-62.9-172.4-1.800111.3H134 A135 K139H134-Q137 HydrophobicContact CB-CB 4.44Å; H134-Q137 HydrophobicContact CB-CG 4.13Å; H134-Q137 WeakPolarHBondContact O-CB 3.27Å; H134-Q137 PolarHBondContact O-N 3.44Å; H134-Q137 VanDerWaalsContact O-N 3.09Å; A135-Q137 PolarHBondContact O-N 2.92Å; Q137-K139 VanDerWaalsContact C-N 3.28Å
138K89.3Confident93.8Very high174 Ų17475.9 Ų75.976%0.75743%0.427SS*.SBendtrans-76.6-16.1175-68.8179.7179.9170.60112.8F156K138-F156 VanDerWaalsContact O-CD1 3.24Å; K138-F156 WeakPolarHBondContact O-CD1 3.37Å
139K95.9Very high93.6Very high105 Ų10571.5 Ų71.546%0.45741%0.407SS..  trans-117.6132.7-175.3-167.9-17677.3171.70108.9Q137 S157Q137-K139 VanDerWaalsContact C-N 3.28Å; K139-S157 WeakPolarHBondContact CD-O 3.27Å; K139-S157 WeakPolarHBondContact CG-O 3.44Å
140C97.2Very high93.6Very high4 Ų469.2 Ų69.23%0.02740%0.401CS..  trans-100.1157172.6-54.20000110.5V122 C131 E132 C133 F156 S157V122-C140 HydrophobicContact CB-CB 4.33Å; C131-C140 HydrophobicContact CB-CB 4.24Å; E132-C140 CarbonylContact O-C 3.55Å; E132-C140 VanDerWaalsContact O-CA 3.3Å; E132-C140 WeakPolarHBondContact O-CA 3.46Å; C133-C140 HydrophobicContact CB-CB 4.01Å; C133-C140 WeakPolarHBondContact CB-SG 3.49Å; C133-C140 WeakPolarHBondContact SG-CB 3.43Å; C133-C140 CovalentContact SG-SG 2.03Å; C133-C140 PolarHBondContact SG-SG 3.47Å; C140-F156 WeakPolarHBondContact CB-O 3.5Å; C140-F156 PolarHBondContact N-O 3.4Å; C140-S157 WeakPolarHBondContact O-CA 3.06Å
141T97.3Very high93.5Very high52 Ų5265.2 Ų65.232%0.31938%0.375SS..BIsolated β-bridgetrans-99.2102.3176.7-63.70000109C131 E132 L143C131-T141 WeakPolarHBondContact CA-O 3.45Å; E132-T141 PolarHBondContact N-O 3.4Å; E132-T141 PolarHBondContact O-N 2.97Å; T141-L143 HydrophobicContact CG2-CD1 3.69Å; T141-L143 HydrophobicContact CG2-CD2 4.1Å; T141-L143 HydrophobicContact CG2-CG 3.55Å
142C97.4Very high93.6Very high2 Ų264.4 Ų64.41%0.01437%0.37CS..  trans-102.772.7-176.2-69.20000111.6C131 T150 W151 L152C131-C142 HydrophobicContact CB-CB 4.06Å; C131-C142 WeakPolarHBondContact CB-SG 3.44Å; C131-C142 VanDerWaalsContact SG-CA 3.52Å; C131-C142 WeakPolarHBondContact SG-CB 3.48Å; C131-C142 CovalentContact SG-SG 2.05Å; C131-C142 PolarHBondContact SG-SG 2.97Å; C142-T150 VanDerWaalsContact O-CA 3.3Å; C142-T150 WeakPolarHBondContact O-CA 3.31Å; C142-T150 PolarHBondContact O-OG1 2.94Å; C142-T150 VanDerWaalsContact O-OG1 3.12Å; C142-W151 HydrophobicContact CB-CZ2 4.3Å; C142-W151 PolarHBondContact O-N 3.26Å; C142-W151 PolarHBondContact O-NE1 2.94Å; C142-L152 HydrophobicContact CB-CB 4.35Å
143L96.6Very high93.6Very high33 Ų3360.9 Ų60.917%0.17335%0.353CS..BIsolated β-bridgetrans-86.9151-176-58.9177.7000112.2T141 E149T141-L143 HydrophobicContact CG2-CD1 3.69Å; T141-L143 HydrophobicContact CG2-CD2 4.1Å; T141-L143 HydrophobicContact CG2-CG 3.55Å; L143-E149 CarbonylContact C-O 3.56Å; L143-E149 VanDerWaalsContact CA-O 3.3Å; L143-E149 WeakPolarHBondContact CA-O 3.28Å
144R95.7Very high93.7Very high0 Ų059 Ų590%034%0.341CS..PPolyproline II helixtrans-63.9152.2171.2-57.9177.8-173.8-74.4-0.6110.8I98 G100 D101 D102 R129 G146 K147 E149 W151I98-R144 WeakPolarHBondContact O-CD 3.3Å; I98-R144 WeakPolarHBondContact O-CG 3.42Å; I98-R144 PolarHBondContact O-NH1 2.98Å; G100-R144 WeakPolarHBondContact O-CD 3.44Å; G100-R144 PolarHBondContact O-NE 3.48Å; G100-R144 PolarHBondContact O-NH1 2.91Å; D101-R144 PolarHBondContact O-NH2 3.5Å; D102-R144 VanDerWaalsContact O-CZ 3.29Å; D102-R144 PolarHBondContact O-NH1 3.19Å; D102-R144 PolarHBondContact O-NH2 3.5Å; R129-R144 PolarHBondContact NH1-O 2.88Å; R144-G146 PolarHBondContact O-N 2.87Å; R144-K147 HydrophobicContact CB-CB 4.17Å; R144-K147 PolarHBondContact O-N 3.29Å; R144-E149 WeakPolarHBondContact CG-O 3.33Å; R144-E149 PolarHBondContact N-O 3.46Å; R144-E149 IonicContact NE-OE2 3.63Å; R144-W151 HydrophobicContact CG-CB 4.09Å
145P94.6Very high94Very high20 Ų2057.6 Ų57.613%0.1333%0.331CS..THydrogen-bonded Turntrans-57.7125.4168-22.633.7000110.6K99 E128 R129 K147K99-P145 HydrophobicContact CG-CB 4.44Å; K99-P145 HydrophobicContact CG-CG 4.28Å; E128-P145 HydrophobicContact CB-CG 4.34Å; R129-P145 HydrophobicContact CB-CG 4.16Å; P145-K147 VanDerWaalsContact C-N 3.27Å; P145-K147 PolarHBondContact O-N 3.45Å
146G89.8Confident94.5Very high86 Ų8653.6 Ų53.689%0.88729%0.294SS*.THydrogen-bonded Turntrans74.2-1.5177.500000117.1R144R144-G146 PolarHBondContact O-N 2.87Å
147K90.2Very high95Very high76 Ų7649.8 Ų49.833%0.3325%0.253SS..SBendtrans-125162.6176.3-58.3175.3173178.10111.8K99 G100 D101 R129 R144 P145 E149K99-K147 PolarHBondContact O-NZ 2.76Å; G100-K147 PolarHBondContact O-NZ 2.82Å; D101-K147 IonicContact OD1-NZ 3.55Å; D101-K147 PolarHBondContact OD1-NZ 2.99Å; R129-K147 PolarHBondContact NH1-O 3.16Å; R144-K147 HydrophobicContact CB-CB 4.17Å; R144-K147 PolarHBondContact O-N 3.29Å; P145-K147 VanDerWaalsContact C-N 3.27Å; P145-K147 PolarHBondContact O-N 3.45Å; K147-E149 VanDerWaalsContact C-N 3.34Å
148K90.3Very high95.4Very high200 Ų20046.1 Ų46.187%0.8724%0.238SC*.SBendtrans-96.221.8173-64.7-174.3-179.7179.50113.1
149E91.7Very high95.7Very high50 Ų5038.5 Ų38.523%0.23421%0.21CC..SBendtrans-103.7148-179.6-59.5-175.8138.100111L143 R144 K147 R191L143-E149 CarbonylContact C-O 3.56Å; L143-E149 VanDerWaalsContact CA-O 3.3Å; L143-E149 WeakPolarHBondContact CA-O 3.28Å; R144-E149 WeakPolarHBondContact CG-O 3.33Å; R144-E149 PolarHBondContact N-O 3.46Å; R144-E149 IonicContact NE-OE2 3.63Å; K147-E149 VanDerWaalsContact C-N 3.34Å; E149-R191 IonicContact OE1-NH2 3.45Å; E149-R191 PolarHBondContact OE1-NH2 3.02Å; E149-R191 IonicContact OE2-NH2 3.22Å
150T94.9Very high95.8Very high26 Ų2637.6 Ų37.616%0.1620%0.203CC..BIsolated β-bridgetrans-86.3139.9175.7-170.80000111.4C142 L152 T158 M179C142-T150 VanDerWaalsContact O-CA 3.3Å; C142-T150 WeakPolarHBondContact O-CA 3.31Å; C142-T150 PolarHBondContact O-OG1 2.94Å; C142-T150 VanDerWaalsContact O-OG1 3.12Å; T150-L152 PolarHBondContact OG1-N 3.36Å; T150-L152 PolarHBondContact OG1-O 2.92Å; T150-T158 HydrophobicContact CG2-CG2 3.87Å; T150-M179 HydrophobicContact CG2-CE 3.38Å; T150-M179 HydrophobicContact CG2-SD 3.81Å; T150-M179 WeakPolarHBondContact O-CE 3.31Å
151W96.7Very high95.8Very high0 Ų039.5 Ų39.50%022%0.217CC..SBendtrans-97.6-9.2173.461.1-93.7000112.7F96 I98 V103 I104 I125 L127 C142 R144F96-W151 HydrophobicContact CE1-CE3 4.45Å; F96-W151 AromaticContact CZ-CE3 3.94Å; F96-W151 HydrophobicContact CZ-CE3 3.94Å; I98-W151 HydrophobicContact CD1-CD2 3.84Å; I98-W151 HydrophobicContact CD1-CE3 4.46Å; I98-W151 HydrophobicContact CD1-CG 3.86Å; I98-W151 HydrophobicContact CG1-CB 3.9Å; I98-W151 HydrophobicContact CG1-CD2 4.09Å; I98-W151 HydrophobicContact CG1-CG 3.68Å; V103-W151 WeakPolarHBondContact CA-O 3.31Å; I104-W151 HydrophobicContact CD1-CZ3 4.27Å; I104-W151 PolarHBondContact N-O 2.89Å; I125-W151 HydrophobicContact CD1-CH2 4.21Å; L127-W151 HydrophobicContact CD1-CH2 4.22Å; L127-W151 HydrophobicContact CD1-CZ2 3.51Å; C142-W151 HydrophobicContact CB-CZ2 4.3Å; C142-W151 PolarHBondContact O-N 3.26Å; C142-W151 PolarHBondContact O-NE1 2.94Å; R144-W151 HydrophobicContact CG-CB 4.09Å
152L98.3Very high95.8Very high0 Ų037.5 Ų37.50%020%0.204CC..EExtended strand (participates in β ladder)trans-122.9130.4-179-176.364.7000109.9I104 L121 V122 C142 T150 S157I104-L152 HydrophobicContact CB-CD1 3.91Å; I104-L152 HydrophobicContact CG2-CD1 3.75Å; L121-L152 HydrophobicContact CB-CD2 3.99Å; L121-L152 HydrophobicContact CD1-CD1 4.25Å; V122-L152 HydrophobicContact CG1-CD2 3.6Å; C142-L152 HydrophobicContact CB-CB 4.35Å; T150-L152 PolarHBondContact OG1-N 3.36Å; T150-L152 PolarHBondContact OG1-O 2.92Å; L152-S157 PolarHBondContact O-OG 2.96Å
153F98.5Very high95.8Very high8 Ų837.7 Ų37.74%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-110.2107.6168.4-168.7-77.9000108.9V103 I104 V105 F106 T158 C162 L171 V175 R178 M179V103-F153 HydrophobicContact CG1-CB 4.11Å; I104-F153 PolarHBondContact O-N 3.37Å; V105-F153 HydrophobicContact CG1-CB 4.38Å; V105-F153 HydrophobicContact CG1-CD1 4.08Å; V105-F153 HydrophobicContact CG2-CB 4.22Å; F106-F153 PolarHBondContact N-O 3.19Å; F153-T158 HydrophobicContact CD2-CG2 3.84Å; F153-T158 HydrophobicContact CE2-CG2 4.32Å; F153-T158 HydrophobicContact CG-CG2 4.36Å; F153-C162 HydrophobicContact CZ-CB 4.23Å; F153-C162 VanDerWaalsContact CZ-SG 3.56Å; F153-L171 HydrophobicContact CD1-CD2 4.35Å; F153-L171 HydrophobicContact CE1-CD2 3.78Å; F153-V175 HydrophobicContact CD1-CG2 3.92Å; F153-V175 HydrophobicContact CD2-CG1 4.26Å; F153-V175 HydrophobicContact CD2-CG2 4.34Å; F153-V175 HydrophobicContact CE1-CG2 3.77Å; F153-V175 HydrophobicContact CE2-CG2 4.19Å; F153-V175 HydrophobicContact CG-CG1 4.35Å; F153-V175 HydrophobicContact CG-CG2 4.22Å; F153-V175 HydrophobicContact CZ-CG2 3.91Å; F153-R178 HydrophobicContact CE2-CB 4.43Å; F153-M179 HydrophobicContact CD2-CG 4.04Å; F153-M179 HydrophobicContact CD2-SD 3.82Å
154S98.5Very high95.9Very high3 Ų337.8 Ų37.82%0.02121%0.207CC..SBendtrans-161.3165.2-17776.60000111.3F156 S157 T158 G159S154-F156 PolarHBondContact O-N 3Å; S154-F156 VanDerWaalsContact O-N 3.08Å; S154-F156 PolarHBondContact OG-N 3.24Å; S154-S157 PolarHBondContact N-OG 3.42Å; S154-S157 PolarHBondContact O-N 2.88Å; S154-S157 PolarHBondContact O-OG 2.65Å; S154-S157 PolarHBondContact OG-N 3.46Å; S154-S157 PolarHBondContact OG-OG 3.45Å; S154-T158 PolarHBondContact N-OG1 3.44Å; S154-T158 PolarHBondContact O-N 3.36Å; S154-T158 PolarHBondContact O-OG1 3.42Å; S154-G159 PolarHBondContact O-N 3.34Å
155R98.1Very high96Very high72 Ų7238.5 Ų38.527%0.27221%0.211SC..THydrogen-bonded Turntrans-45.9-41.6171.9176.8-170177.5-170.5-1.2113.2T115 G159 W160T115-R155 PolarHBondContact OG1-NH1 3.02Å; R155-G159 VanDerWaalsContact O-CA 3.29Å; R155-G159 WeakPolarHBondContact O-CA 3.42Å; R155-G159 PolarHBondContact O-N 3.02Å; R155-W160 HydrophobicContact CB-CD2 4.5Å; R155-W160 HydrophobicContact CB-CH2 3.97Å; R155-W160 HydrophobicContact CB-CZ2 3.91Å; R155-W160 HydrophobicContact CB-CZ3 4.26Å; R155-W160 VanDerWaalsContact CD-CZ2 3.49Å; R155-W160 HydrophobicContact CG-CD2 4.4Å; R155-W160 HydrophobicContact CG-CH2 4.19Å; R155-W160 HydrophobicContact CG-CZ2 3.6Å
156F98Very high96.2Very high21 Ų2137.8 Ų37.89%0.09221%0.206CC..THydrogen-bonded Turntrans-95.34.3-173.8-61.9-45.2000113.9T115 R119 V122 K138 C140 S154T115-F156 HydrophobicContact CG2-CZ 4.18Å; T115-F156 WeakPolarHBondContact O-CE2 3.32Å; R119-F156 HydrophobicContact CG-CD2 4.35Å; R119-F156 HydrophobicContact CG-CE2 3.85Å; R119-F156 HydrophobicContact CG-CZ 4.38Å; V122-F156 HydrophobicContact CG1-CB 4.01Å; V122-F156 HydrophobicContact CG2-CB 4.04Å; K138-F156 VanDerWaalsContact O-CD1 3.24Å; K138-F156 WeakPolarHBondContact O-CD1 3.37Å; C140-F156 WeakPolarHBondContact CB-O 3.5Å; C140-F156 PolarHBondContact N-O 3.4Å; S154-F156 PolarHBondContact O-N 3Å; S154-F156 VanDerWaalsContact O-N 3.08Å; S154-F156 PolarHBondContact OG-N 3.24Å
157S97.3Very high96.6Very high8 Ų833.9 Ų33.96%0.05617%0.165CC..THydrogen-bonded Turntrans-120.4-59176.453.10000111.7K139 C140 L152 S154K139-S157 WeakPolarHBondContact CD-O 3.27Å; K139-S157 WeakPolarHBondContact CG-O 3.44Å; C140-S157 WeakPolarHBondContact O-CA 3.06Å; L152-S157 PolarHBondContact O-OG 2.96Å; S154-S157 PolarHBondContact N-OG 3.42Å; S154-S157 PolarHBondContact O-N 2.88Å; S154-S157 PolarHBondContact O-OG 2.65Å; S154-S157 PolarHBondContact OG-N 3.46Å; S154-S157 PolarHBondContact OG-OG 3.45Å
158T96.9Very high97Very high28 Ų2832.2 Ų32.217%0.17216%0.157CC..THydrogen-bonded Turntrans-96.6-18.1179.251.80000112.5T150 F153 S154 S161T150-T158 HydrophobicContact CG2-CG2 3.87Å; F153-T158 HydrophobicContact CD2-CG2 3.84Å; F153-T158 HydrophobicContact CE2-CG2 4.32Å; F153-T158 HydrophobicContact CG-CG2 4.36Å; S154-T158 PolarHBondContact N-OG1 3.44Å; S154-T158 PolarHBondContact O-N 3.36Å; S154-T158 PolarHBondContact O-OG1 3.42Å; T158-S161 PolarHBondContact O-OG 2.65Å
159G96.9Very high97.4Very high15 Ų1522.8 Ų22.816%0.15512%0.116CC..  trans86.4-153.6-172.900000111.1S154 R155 S161S154-G159 PolarHBondContact O-N 3.34Å; R155-G159 VanDerWaalsContact O-CA 3.29Å; R155-G159 WeakPolarHBondContact O-CA 3.42Å; R155-G159 PolarHBondContact O-N 3.02Å; G159-S161 VanDerWaalsContact C-N 3.3Å; G159-S161 PolarHBondContact O-N 3.41Å
160W97.1Very high97.7Very high86 Ų8620.7 Ų20.733%0.32611%0.106SC..SBendtrans-95.548.8177.4-63122.6000111.4H108 R155 C162 G163 L164 H165H108-W160 HydrophobicContact CB-CH2 4.32Å; H108-W160 AromaticContact ND1-CH2 3.93Å; R155-W160 HydrophobicContact CB-CD2 4.5Å; R155-W160 HydrophobicContact CB-CH2 3.97Å; R155-W160 HydrophobicContact CB-CZ2 3.91Å; R155-W160 HydrophobicContact CB-CZ3 4.26Å; R155-W160 VanDerWaalsContact CD-CZ2 3.49Å; R155-W160 HydrophobicContact CG-CD2 4.4Å; R155-W160 HydrophobicContact CG-CH2 4.19Å; R155-W160 HydrophobicContact CG-CZ2 3.6Å; W160-C162 PolarHBondContact O-N 3.43Å; W160-C162 VanDerWaalsContact O-N 3.12Å; W160-G163 PolarHBondContact O-N 3.39Å; W160-L164 HydrophobicContact CD2-CD1 3.94Å; W160-L164 VanDerWaalsContact CE2-CD1 3.44Å; W160-L164 HydrophobicContact CG-CD1 4.09Å; W160-L164 HydrophobicContact CZ2-CD1 3.8Å; W160-L164 VanDerWaalsContact NE1-CD1 3.32Å; W160-H165 HydrophobicContact CH2-CB 4.32Å; W160-H165 AromaticContact CH2-CD2 3.82Å; W160-H165 AromaticContact CH2-CE1 3.76Å; W160-H165 AromaticContact CH2-CG 3.66Å; W160-H165 AromaticContact CH2-ND1 3.63Å; W160-H165 AromaticContact CH2-NE2 3.89Å; W160-H165 AromaticContact CZ2-CD2 3.86Å; W160-H165 AromaticContact CZ2-NE2 3.83Å; W160-H165 VanDerWaalsContact CZ3-CA 3.42Å; W160-H165 HydrophobicContact CZ3-CB 4.43Å
161S96.5Very high97.9Very high44 Ų4419.8 Ų19.831%0.30810%0.101SC..THydrogen-bonded Turntrans-62.9-20.3-172.2-47.60000114.4T158 G159 R178T158-S161 PolarHBondContact O-OG 2.65Å; G159-S161 VanDerWaalsContact C-N 3.3Å; G159-S161 PolarHBondContact O-N 3.41Å; S161-R178 PolarHBondContact O-NE 3Å
162C97.7Very high97.9Very high9 Ų921.5 Ų21.56%0.06111%0.111CC..THydrogen-bonded Turntrans-111.513.8177-68.90000113.3F153 W160 A166 L171 C174F153-C162 HydrophobicContact CZ-CB 4.23Å; F153-C162 VanDerWaalsContact CZ-SG 3.56Å; W160-C162 PolarHBondContact O-N 3.43Å; W160-C162 VanDerWaalsContact O-N 3.12Å; C162-A166 HydrophobicContact CB-CB 4.1Å; C162-A166 WeakPolarHBondContact O-CB 3.49Å; C162-L171 HydrophobicContact CB-CD2 4.1Å; C162-C174 WeakPolarHBondContact CA-SG 3.45Å; C162-C174 HydrophobicContact CB-CB 3.59Å; C162-C174 WeakPolarHBondContact CB-SG 3.48Å; C162-C174 WeakPolarHBondContact SG-CB 3.42Å; C162-C174 CovalentContact SG-SG 2.03Å; C162-C174 PolarHBondContact SG-SG 3Å
163G97.1Very high97.8Very high6 Ų627.5 Ų27.56%0.06214%0.139CC..  trans113.5150.6-174.900000112.8W160 H165 A166W160-G163 PolarHBondContact O-N 3.39Å; G163-H165 PolarHBondContact O-N 2.86Å; G163-A166 PolarHBondContact O-N 2.9Å
164L98.3Very high97.7Very high35 Ų3528.3 Ų28.318%0.18315%0.145CC..THydrogen-bonded Turntrans-64.6120.1175.7172.862.2000109.2W160 A166 W219 A221 S222W160-L164 HydrophobicContact CD2-CD1 3.94Å; W160-L164 VanDerWaalsContact CE2-CD1 3.44Å; W160-L164 HydrophobicContact CG-CD1 4.09Å; W160-L164 HydrophobicContact CZ2-CD1 3.8Å; W160-L164 VanDerWaalsContact NE1-CD1 3.32Å; L164-A166 PolarHBondContact O-N 2.7Å; L164-W219 HydrophobicContact CD2-CB 4Å; L164-W219 HydrophobicContact CD2-CG 4.49Å; L164-A221 HydrophobicContact CD2-CB 4.2Å; L164-S222 PolarHBondContact O-OG 2.78Å
165H98.4Very high97.6Very high15 Ų1528.2 Ų28.27%0.06914%0.144CC..THydrogen-bonded Turntrans53.142.1-175-75-83000113.2H108 Q110 W160 G163 D167 W219 M268H108-H165 AromaticContact CD2-CE1 3.96Å; H108-H165 AromaticContact CE1-CE1 3.72Å; H108-H165 AromaticContact CG-CE1 3.86Å; H108-H165 AromaticContact CG-ND1 3.99Å; H108-H165 AromaticContact ND1-CE1 3.7Å; H108-H165 AromaticContact NE2-CE1 3.88Å; H108-H165 PolarHBondContact O-ND1 2.91Å; Q110-H165 VanDerWaalsContact NE2-CG 3.34Å; W160-H165 HydrophobicContact CH2-CB 4.32Å; W160-H165 AromaticContact CH2-CD2 3.82Å; W160-H165 AromaticContact CH2-CE1 3.76Å; W160-H165 AromaticContact CH2-CG 3.66Å; W160-H165 AromaticContact CH2-ND1 3.63Å; W160-H165 AromaticContact CH2-NE2 3.89Å; W160-H165 AromaticContact CZ2-CD2 3.86Å; W160-H165 AromaticContact CZ2-NE2 3.83Å; W160-H165 VanDerWaalsContact CZ3-CA 3.42Å; W160-H165 HydrophobicContact CZ3-CB 4.43Å; G163-H165 PolarHBondContact O-N 2.86Å; H165-D167 PolarHBondContact O-N 2.8Å; H165-W219 AromaticContact CD2-CD1 3.46Å; H165-W219 VanDerWaalsContact CD2-CD1 3.46Å; H165-W219 AromaticContact CD2-NE1 3.62Å; H165-W219 AromaticContact NE2-CD1 3.81Å; H165-W219 AromaticContact NE2-NE1 3.47Å; H165-W219 PolarHBondContact NE2-NE1 3.28Å; H165-M268 HydrophobicContact CB-CE 4.33Å; H165-M268 WeakPolarHBondContact O-CE 3.45Å
166A98.6Very high97.4Very high5 Ų526.7 Ų26.74%0.04114%0.144CC..  trans-48.3126.8177.300000111.8C162 G163 L164 E170 L171C162-A166 HydrophobicContact CB-CB 4.1Å; C162-A166 WeakPolarHBondContact O-CB 3.49Å; G163-A166 PolarHBondContact O-N 2.9Å; L164-A166 PolarHBondContact O-N 2.7Å; A166-E170 VanDerWaalsContact CA-OE2 3.27Å; A166-E170 WeakPolarHBondContact CA-OE2 3.49Å; A166-E170 HydrophobicContact CB-CB 3.93Å; A166-L171 HydrophobicContact CB-CD2 3.73Å; A166-L171 HydrophobicContact CB-CG 3.82Å; A166-L171 WeakPolarHBondContact O-CD1 3.14Å
167D98.8Very high97Very high4 Ų430 Ų302%0.02117%0.17CC..  trans-84.6-175.6-178.270.730.4000113.2H165 T169 E170 L171 M268H165-D167 PolarHBondContact O-N 2.8Å; D167-T169 VanDerWaalsContact C-N 3.27Å; D167-T169 PolarHBondContact O-N 2.62Å; D167-T169 WeakPolarHBondContact OD1-CA 3.47Å; D167-T169 VanDerWaalsContact OD1-CB 3.3Å; D167-T169 WeakPolarHBondContact OD1-CB 3.36Å; D167-T169 PolarHBondContact OD1-N 2.9Å; D167-E170 PolarHBondContact N-OE2 3.15Å; D167-E170 VanDerWaalsContact N-OE2 3.11Å; D167-E170 PolarHBondContact O-N 3.02Å; D167-E170 PolarHBondContact OD1-N 3.44Å; D167-L171 WeakPolarHBondContact O-CB 3.39Å; D167-L171 VanDerWaalsContact O-CG 3.27Å; D167-L171 WeakPolarHBondContact O-CG 3.19Å; D167-L171 PolarHBondContact O-N 2.89Å; D167-M268 HydrophobicContact CB-CB 3.85Å; D167-M268 HydrophobicContact CB-CE 4.13Å; D167-M268 HydrophobicContact CB-CG 3.98Å; D167-M268 WeakPolarHBondContact CB-O 3.45Å
168W98.8Very high96.7Very high41 Ų4137.3 Ų37.316%0.15520%0.196CC..Hα-helixtrans-59.2-40.3-179.6-178.994000111.8L107 T172 M268 D271 N299L107-W168 HydrophobicContact CD1-CB 3.85Å; W168-T172 HydrophobicContact CD2-CG2 3.99Å; W168-T172 HydrophobicContact CG-CG2 4.32Å; W168-T172 HydrophobicContact CH2-CG2 4.5Å; W168-T172 HydrophobicContact CZ2-CG2 3.99Å; W168-T172 WeakPolarHBondContact O-CB 3.41Å; W168-T172 VanDerWaalsContact O-CG2 3.26Å; W168-T172 WeakPolarHBondContact O-CG2 3.33Å; W168-T172 PolarHBondContact O-N 3.48Å; W168-T172 VanDerWaalsContact O-N 3.08Å; W168-T172 PolarHBondContact O-OG1 3Å; W168-M268 WeakPolarHBondContact CB-O 3.46Å; W168-M268 PolarHBondContact N-O 3.26Å; W168-D271 HydrophobicContact CE3-CB 3.82Å; W168-D271 HydrophobicContact CH2-CB 3.77Å; W168-D271 VanDerWaalsContact CZ3-CA 3.43Å; W168-D271 HydrophobicContact CZ3-CB 3.19Å; W168-N299 WeakPolarHBondContact CZ2-ND2 3.39Å
169T98.7Very high96.3Very high2 Ų236.9 Ų36.91%0.01219%0.192CC..Hα-helixtrans-66.5-45.9179.8-57.90000109.6D167 T172 H173 C226 A270 L272D167-T169 VanDerWaalsContact C-N 3.27Å; D167-T169 PolarHBondContact O-N 2.62Å; D167-T169 WeakPolarHBondContact OD1-CA 3.47Å; D167-T169 VanDerWaalsContact OD1-CB 3.3Å; D167-T169 WeakPolarHBondContact OD1-CB 3.36Å; D167-T169 PolarHBondContact OD1-N 2.9Å; T169-T172 PolarHBondContact O-OG1 2.84Å; T169-H173 PolarHBondContact O-ND1 3.49Å; T169-C226 HydrophobicContact CG2-CB 4.23Å; T169-A270 PolarHBondContact OG1-O 3.21Å; T169-A270 VanDerWaalsContact OG1-O 3.09Å; T169-L272 HydrophobicContact CG2-CB 4.46Å; T169-L272 PolarHBondContact OG1-N 2.86Å
170E98.6Very high95.5Very high7 Ų739.3 Ų39.33%0.03320%0.202CC..Hα-helixtrans-66.3-47.3179.2-68.2179112.200112.3A166 D167 C174 H224 V225A166-E170 VanDerWaalsContact CA-OE2 3.27Å; A166-E170 WeakPolarHBondContact CA-OE2 3.49Å; A166-E170 HydrophobicContact CB-CB 3.93Å; D167-E170 PolarHBondContact N-OE2 3.15Å; D167-E170 VanDerWaalsContact N-OE2 3.11Å; D167-E170 PolarHBondContact O-N 3.02Å; D167-E170 PolarHBondContact OD1-N 3.44Å; E170-C174 WeakPolarHBondContact O-CB 3.1Å; E170-C174 PolarHBondContact O-N 2.98Å; E170-H224 WeakPolarHBondContact OE1-CA 3.38Å; E170-H224 PolarHBondContact OE1-N 2.92Å; E170-V225 HydrophobicContact CG-CB 4.19Å; E170-V225 VanDerWaalsContact CG-O 3.29Å; E170-V225 WeakPolarHBondContact CG-O 3.5Å; E170-V225 PolarHBondContact OE1-N 3.44Å
171L98.4Very high93.8Very high7 Ų737.4 Ų37.44%0.03720%0.201CC..Hα-helixtrans-68.1-43.3-175.1-70.4171.6000112.5V105 L107 F153 C162 A166 D167 H173 C174 V175 Y195V105-L171 HydrophobicContact CG1-CD1 4.34Å; L107-L171 HydrophobicContact CB-CD1 3.69Å; L107-L171 HydrophobicContact CD1-CD1 4.16Å; L107-L171 HydrophobicContact CG-CD1 3.7Å; F153-L171 HydrophobicContact CD1-CD2 4.35Å; F153-L171 HydrophobicContact CE1-CD2 3.78Å; C162-L171 HydrophobicContact CB-CD2 4.1Å; A166-L171 HydrophobicContact CB-CD2 3.73Å; A166-L171 HydrophobicContact CB-CG 3.82Å; A166-L171 WeakPolarHBondContact O-CD1 3.14Å; D167-L171 WeakPolarHBondContact O-CB 3.39Å; D167-L171 VanDerWaalsContact O-CG 3.27Å; D167-L171 WeakPolarHBondContact O-CG 3.19Å; D167-L171 PolarHBondContact O-N 2.89Å; L171-H173 VanDerWaalsContact C-N 3.26Å; L171-H173 PolarHBondContact O-N 3.06Å; L171-C174 PolarHBondContact O-N 3.36Å; L171-V175 HydrophobicContact CB-CG2 4.13Å; L171-V175 HydrophobicContact CD2-CG2 3.77Å; L171-V175 VanDerWaalsContact O-CB 3.3Å; L171-V175 WeakPolarHBondContact O-CB 3.14Å; L171-V175 VanDerWaalsContact O-CG2 3.27Å; L171-V175 WeakPolarHBondContact O-CG2 3.28Å; L171-V175 PolarHBondContact O-N 3.47Å; L171-Y195 HydrophobicContact CB-CE1 3.93Å; L171-Y195 PolarHBondContact O-OH 3.33Å
172T97.3Very high91.7Very high36 Ų3646.5 Ų46.522%0.22123%0.229CC..Hα-helixtrans-64.5-31.8-178.152.70000112.6W168 T169 Y195W168-T172 HydrophobicContact CD2-CG2 3.99Å; W168-T172 HydrophobicContact CG-CG2 4.32Å; W168-T172 HydrophobicContact CH2-CG2 4.5Å; W168-T172 HydrophobicContact CZ2-CG2 3.99Å; W168-T172 WeakPolarHBondContact O-CB 3.41Å; W168-T172 VanDerWaalsContact O-CG2 3.26Å; W168-T172 WeakPolarHBondContact O-CG2 3.33Å; W168-T172 PolarHBondContact O-N 3.48Å; W168-T172 VanDerWaalsContact O-N 3.08Å; W168-T172 PolarHBondContact O-OG1 3Å; T169-T172 PolarHBondContact O-OG1 2.84Å; T172-Y195 WeakPolarHBondContact CA-OH 3.44Å; T172-Y195 HydrophobicContact CG2-CE1 4.2Å
173H95.7Very high89.5Confident126 Ų12654.8 Ų54.858%0.58327%0.267SS*.Hα-helixtrans-84-30.5175.6-68.788.8000113.3T169 L171T169-H173 PolarHBondContact O-ND1 3.49Å; L171-H173 VanDerWaalsContact C-N 3.26Å; L171-H173 PolarHBondContact O-N 3.06Å
174C96.4Very high87.4Confident25 Ų2555.3 Ų55.317%0.16927%0.271CS..Hα-helixtrans-94.4-42.7-173172.70000114.2C162 E170 L171 S177 R178C162-C174 WeakPolarHBondContact CA-SG 3.45Å; C162-C174 HydrophobicContact CB-CB 3.59Å; C162-C174 WeakPolarHBondContact CB-SG 3.48Å; C162-C174 WeakPolarHBondContact SG-CB 3.42Å; C162-C174 CovalentContact SG-SG 2.03Å; C162-C174 PolarHBondContact SG-SG 3Å; E170-C174 WeakPolarHBondContact O-CB 3.1Å; E170-C174 PolarHBondContact O-N 2.98Å; L171-C174 PolarHBondContact O-N 3.36Å; C174-S177 PolarHBondContact O-N 2.63Å; C174-S177 PolarHBondContact O-OG 2.91Å; C174-R178 WeakPolarHBondContact O-CG 3.4Å; C174-R178 PolarHBondContact O-N 3.36Å
175V96.1Very high85.3Confident0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-59.1-44.9-168.71710000113.1V105 F153 L171 S177 R178 M179 Y193V105-V175 HydrophobicContact CG1-CG2 4.07Å; V105-V175 HydrophobicContact CG2-CG1 3.95Å; F153-V175 HydrophobicContact CD1-CG2 3.92Å; F153-V175 HydrophobicContact CD2-CG1 4.26Å; F153-V175 HydrophobicContact CD2-CG2 4.34Å; F153-V175 HydrophobicContact CE1-CG2 3.77Å; F153-V175 HydrophobicContact CE2-CG2 4.19Å; F153-V175 HydrophobicContact CG-CG1 4.35Å; F153-V175 HydrophobicContact CG-CG2 4.22Å; F153-V175 HydrophobicContact CZ-CG2 3.91Å; L171-V175 HydrophobicContact CB-CG2 4.13Å; L171-V175 HydrophobicContact CD2-CG2 3.77Å; L171-V175 VanDerWaalsContact O-CB 3.3Å; L171-V175 WeakPolarHBondContact O-CB 3.14Å; L171-V175 VanDerWaalsContact O-CG2 3.27Å; L171-V175 WeakPolarHBondContact O-CG2 3.28Å; L171-V175 PolarHBondContact O-N 3.47Å; V175-S177 VanDerWaalsContact C-N 3.35Å; V175-S177 PolarHBondContact O-N 3.2Å; V175-R178 PolarHBondContact O-N 3.49Å; V175-R178 VanDerWaalsContact O-N 3.1Å; V175-M179 HydrophobicContact CG1-CG 3.89Å; V175-M179 WeakPolarHBondContact O-CB 3.44Å; V175-M179 WeakPolarHBondContact O-CG 3.43Å; V175-M179 PolarHBondContact O-N 2.82Å; V175-Y193 HydrophobicContact CG1-CD1 3.78Å; V175-Y193 HydrophobicContact CG1-CE1 3.78Å
176P93Very high83.2Confident40 Ų4069.8 Ų69.826%0.2633%0.334SS..Hα-helixtrans-55.4-49.3177.9-26.736000112.5R178 M179 D180 Y193P176-R178 PolarHBondContact O-N 2.85Å; P176-R178 VanDerWaalsContact O-N 3.16Å; P176-M179 PolarHBondContact O-N 2.81Å; P176-D180 WeakPolarHBondContact O-CB 3.39Å; P176-D180 PolarHBondContact O-N 2.87Å; P176-Y193 WeakPolarHBondContact CA-OH 3.39Å; P176-Y193 HydrophobicContact CB-CE2 4.11Å; P176-Y193 HydrophobicContact CG-CD2 4.44Å; P176-Y193 HydrophobicContact CG-CE2 3.95Å
177S90.8Very high81Confident91 Ų9177.4 Ų77.464%0.63637%0.374SS*.Hα-helixtrans-62-26.6179770000114.6C174 V175C174-S177 PolarHBondContact O-N 2.63Å; C174-S177 PolarHBondContact O-OG 2.91Å; V175-S177 VanDerWaalsContact C-N 3.35Å; V175-S177 PolarHBondContact O-N 3.2Å
178R91.1Very high79Confident161 Ų16182.7 Ų82.761%0.60840%0.399SS*.Hα-helixtrans-87.4-31.4-179.5-71-62.4-166.6176.8-1.3112.9F153 S161 C174 V175 P176F153-R178 HydrophobicContact CE2-CB 4.43Å; S161-R178 PolarHBondContact O-NE 3Å; C174-R178 WeakPolarHBondContact O-CG 3.4Å; C174-R178 PolarHBondContact O-N 3.36Å; V175-R178 PolarHBondContact O-N 3.49Å; V175-R178 VanDerWaalsContact O-N 3.1Å; P176-R178 PolarHBondContact O-N 2.85Å; P176-R178 VanDerWaalsContact O-N 3.16Å
179M87.9Confident77.2Confident20 Ų2085.6 Ų85.610%0.09942%0.423CS..Hα-helixtrans-89.4-38.5-175.7-72.2-59.8-7000111.1V103 T150 F153 V175 P176 S181 R191 Y193V103-M179 HydrophobicContact CB-CE 4.42Å; V103-M179 HydrophobicContact CG1-CE 3.83Å; V103-M179 HydrophobicContact CG2-CE 3.63Å; T150-M179 HydrophobicContact CG2-CE 3.38Å; T150-M179 HydrophobicContact CG2-SD 3.81Å; T150-M179 WeakPolarHBondContact O-CE 3.31Å; F153-M179 HydrophobicContact CD2-CG 4.04Å; F153-M179 HydrophobicContact CD2-SD 3.82Å; V175-M179 HydrophobicContact CG1-CG 3.89Å; V175-M179 WeakPolarHBondContact O-CB 3.44Å; V175-M179 WeakPolarHBondContact O-CG 3.43Å; V175-M179 PolarHBondContact O-N 2.82Å; P176-M179 PolarHBondContact O-N 2.81Å; M179-S181 PolarHBondContact O-N 3.11Å; M179-R191 VanDerWaalsContact C-NH1 3.29Å; M179-R191 VanDerWaalsContact O-CZ 3.3Å; M179-R191 PolarHBondContact O-NH1 3.4Å; M179-Y193 HydrophobicContact CB-CE1 3.99Å; M179-Y193 HydrophobicContact CG-CE1 4.18Å
180D80.3Confident75.9Confident66 Ų6690.5 Ų90.535%0.35346%0.457SS..SBendtrans-70.9120.5-178.1-62.5-19.2000110P176 R191 Y193P176-D180 WeakPolarHBondContact O-CB 3.39Å; P176-D180 PolarHBondContact O-N 2.87Å; D180-R191 WeakPolarHBondContact OD1-CD 3.48Å; D180-R191 IonicContact OD1-NE 3.55Å; D180-Y193 PolarHBondContact OD1-OH 3.42Å
181S62.5Low75.3Confident45 Ų4591 Ų9132%0.31546%0.459SS..  trans-71.1146.6175.766.60000109.4M179 E183 A184M179-S181 PolarHBondContact O-N 3.11Å; S181-E183 PolarHBondContact O-N 3.16Å; S181-A184 WeakPolarHBondContact O-CB 3.25Å; S181-A184 PolarHBondContact O-N 3.05Å; S181-A184 PolarHBondContact OG-N 2.92Å
182R52.1Low75Confident236 Ų23694.4 Ų94.489%0.89148%0.477SS*.THydrogen-bonded Turntrans-56.5-19.6175.5-70.3-178.4173.6-179.4-3113.3
183E51.2Low75Confident183 Ų18395 Ų9586%0.85548%0.476SS*.THydrogen-bonded Turntrans-85-22.9177.4-68.8178163.700113.5S181 Q185S181-E183 PolarHBondContact O-N 3.16Å; E183-Q185 PolarHBondContact O-N 3.3Å
184A53.2Low75.1Confident17 Ų1791.2 Ų91.214%0.1446%0.456CS..G310 helixtrans-74.5-10.2-178.200000113.8S181 K186S181-A184 WeakPolarHBondContact O-CB 3.25Å; S181-A184 PolarHBondContact O-N 3.05Å; S181-A184 PolarHBondContact OG-N 2.92Å; A184-K186 VanDerWaalsContact C-N 3.27Å; A184-K186 PolarHBondContact O-N 3.47Å; A184-K186 VanDerWaalsContact O-N 3.16Å
185Q53Low75.2Confident163 Ų16391.5 Ų91.576%0.76245%0.454SS*.G310 helixtrans-74-6.4-166.4-119.5158.4-4.200115.8E183E183-Q185 PolarHBondContact O-N 3.3Å
186K54.7Low75.4Confident190 Ų19091.5 Ų91.583%0.82645%0.454SS*.G310 helixtrans-107.7-20.6-174.1-82.5-175.1176.7179.90116.7A184A184-K186 VanDerWaalsContact C-N 3.27Å; A184-K186 PolarHBondContact O-N 3.47Å; A184-K186 VanDerWaalsContact O-N 3.16Å
187N53.4Low75.7Confident165 Ų16589.6 Ų89.688%0.88244%0.442SS*.THydrogen-bonded Turntrans-159.69.3-174.7-85.9-32.7000116.3
188Q56.7Low76Confident115 Ų11585.4 Ų85.454%0.53741%0.412SS..PPolyproline II helixtrans-101.2145-179.7-77.3-174.9-10.500112.7
189P59.3Low76.4Confident102 Ų10277.8 Ų77.866%0.66238%0.384SS*.PPolyproline II helixtrans-60.7148172.725.8-32.5000110.8R191P189-R191 PolarHBondContact O-N 3.03Å
190S71.4Confident76.9Confident105 Ų10577.8 Ų77.873%0.73438%0.383SS*.PPolyproline II helixtrans-58.6135.6177.467.10000110.7
191R86.2Confident77.7Confident19 Ų1976.9 Ų76.97%0.07238%0.378CS..PPolyproline II helixtrans-61.9140.7174.5-60.5-167.9170.8175.41.7110.9D101 E149 M179 D180 P189 Y193D101-R191 HydrophobicContact CB-CG 4.13Å; E149-R191 IonicContact OE1-NH2 3.45Å; E149-R191 PolarHBondContact OE1-NH2 3.02Å; E149-R191 IonicContact OE2-NH2 3.22Å; M179-R191 VanDerWaalsContact C-NH1 3.29Å; M179-R191 VanDerWaalsContact O-CZ 3.3Å; M179-R191 PolarHBondContact O-NH1 3.4Å; D180-R191 WeakPolarHBondContact OD1-CD 3.48Å; D180-R191 IonicContact OD1-NE 3.55Å; P189-R191 PolarHBondContact O-N 3.03Å; R191-Y193 HydrophobicContact CB-CE1 4.3Å; R191-Y193 HydrophobicContact CB-CE2 4.14Å
192N93.6Very high79.4Confident78 Ų7874.8 Ų74.842%0.41736%0.363SS..PPolyproline II helixtrans-84124171.2-57.6-52.6000109.7D102 V103 Y194D102-N192 WeakPolarHBondContact OD1-CB 3.17Å; D102-N192 PolarHBondContact OD1-ND2 3.25Å; V103-N192 PolarHBondContact N-O 2.87Å; N192-Y194 HydrophobicContact CB-CE1 4.33Å; N192-Y194 HydrophobicContact CB-CE2 3.97Å
193Y96.8Very high81.6Confident48 Ų4864 Ų6419%0.18832%0.323CS..EExtended strand (participates in β ladder)trans-104.8112.1175.3-58.6-76.3000110.7V103 V105 V175 P176 M179 D180 R191 Y195V103-Y193 HydrophobicContact CB-CD1 3.88Å; V103-Y193 HydrophobicContact CB-CE1 4.19Å; V103-Y193 HydrophobicContact CG1-CD1 4.25Å; V103-Y193 HydrophobicContact CG2-CD1 4.44Å; V103-Y193 HydrophobicContact CG2-CE1 4.26Å; V103-Y193 CarbonylContact O-C 3.56Å; V103-Y193 WeakPolarHBondContact O-CA 3.49Å; V105-Y193 HydrophobicContact CG2-CD1 4.03Å; V175-Y193 HydrophobicContact CG1-CD1 3.78Å; V175-Y193 HydrophobicContact CG1-CE1 3.78Å; P176-Y193 WeakPolarHBondContact CA-OH 3.39Å; P176-Y193 HydrophobicContact CB-CE2 4.11Å; P176-Y193 HydrophobicContact CG-CD2 4.44Å; P176-Y193 HydrophobicContact CG-CE2 3.95Å; M179-Y193 HydrophobicContact CB-CE1 3.99Å; M179-Y193 HydrophobicContact CG-CE1 4.18Å; D180-Y193 PolarHBondContact OD1-OH 3.42Å; R191-Y193 HydrophobicContact CB-CE1 4.3Å; R191-Y193 HydrophobicContact CB-CE2 4.14Å; Y193-Y195 PolarHBondContact O-N 3.16Å
194Y98.4Very high83.7Confident46 Ų4657.1 Ų57.118%0.1830%0.295CS..EExtended strand (participates in β ladder)trans-96.393.9177.9-59.5-61.2000110.2V94 F96 D102 V103 I104 V105 N192 A304 F323V94-Y194 HydrophobicContact CB-CE1 4.47Å; V94-Y194 HydrophobicContact CG1-CD1 3.78Å; V94-Y194 HydrophobicContact CG1-CD2 3.98Å; V94-Y194 HydrophobicContact CG1-CE1 3.34Å; V94-Y194 HydrophobicContact CG1-CE2 3.54Å; V94-Y194 HydrophobicContact CG1-CG 4.08Å; V94-Y194 HydrophobicContact CG2-CD1 4.25Å; V94-Y194 HydrophobicContact CG2-CE1 4.27Å; F96-Y194 AromaticContact CD2-CD2 3.88Å; F96-Y194 HydrophobicContact CD2-CD2 3.88Å; F96-Y194 AromaticContact CD2-CE2 3.95Å; F96-Y194 HydrophobicContact CD2-CE2 3.95Å; F96-Y194 HydrophobicContact CE2-CD2 4.39Å; D102-Y194 HydrophobicContact CB-CD2 4.32Å; D102-Y194 HydrophobicContact CB-CE2 3.76Å; V103-Y194 PolarHBondContact O-N 2.86Å; I104-Y194 WeakPolarHBondContact CA-O 3.25Å; V105-Y194 PolarHBondContact N-O 2.97Å; N192-Y194 HydrophobicContact CB-CE1 4.33Å; N192-Y194 HydrophobicContact CB-CE2 3.97Å; Y194-A304 HydrophobicContact CD1-CB 4.08Å; Y194-A304 HydrophobicContact CG-CB 4.31Å; Y194-F323 HydrophobicContact CD2-CE1 4.37Å; Y194-F323 HydrophobicContact CG-CE1 4.12Å
195Y98.8Very high85.9Confident32 Ų3256.3 Ų56.313%0.12529%0.289CS..EExtended strand (participates in β ladder)trans-69.4134.5177.1-72.4-95.1000111.2V105 L171 T172 Y193 M303 A304V105-Y195 HydrophobicContact CB-CD1 3.89Å; V105-Y195 HydrophobicContact CB-CE1 3.96Å; V105-Y195 HydrophobicContact CB-CG 4.27Å; V105-Y195 HydrophobicContact CG1-CD1 3.8Å; V105-Y195 HydrophobicContact CG1-CE1 3.58Å; V105-Y195 HydrophobicContact CG2-CE1 4.43Å; V105-Y195 WeakPolarHBondContact O-CA 3.43Å; L171-Y195 HydrophobicContact CB-CE1 3.93Å; L171-Y195 PolarHBondContact O-OH 3.33Å; T172-Y195 WeakPolarHBondContact CA-OH 3.44Å; T172-Y195 HydrophobicContact CG2-CE1 4.2Å; Y193-Y195 PolarHBondContact O-N 3.16Å; Y195-M303 WeakPolarHBondContact O-CB 3.41Å; Y195-A304 PolarHBondContact O-N 3.04Å; Y195-A304 VanDerWaalsContact O-N 3.1Å
196I98.9Very high88Confident0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-135.9154.4175.169.2174.7000112I104 V105 F106 L107 F117 L121 A304 F305 F319 F323I104-I196 HydrophobicContact CG2-CD1 3.48Å; I104-I196 VanDerWaalsContact CG2-CD1 3.48Å; I104-I196 HydrophobicContact CG2-CG1 3.92Å; I104-I196 HydrophobicContact CG2-CG2 4.39Å; V105-I196 PolarHBondContact O-N 3.41Å; F106-I196 HydrophobicContact CB-CD1 4.39Å; F106-I196 HydrophobicContact CB-CG1 4.06Å; F106-I196 HydrophobicContact CD2-CG1 4.05Å; F106-I196 HydrophobicContact CG-CG1 4.43Å; L107-I196 PolarHBondContact N-O 2.92Å; F117-I196 HydrophobicContact CE1-CD1 3.81Å; F117-I196 HydrophobicContact CZ-CD1 4.2Å; L121-I196 HydrophobicContact CD1-CD1 4.01Å; L121-I196 HydrophobicContact CD2-CD1 4.35Å; I196-A304 HydrophobicContact CG2-CB 4.49Å; I196-F305 WeakPolarHBondContact CA-O 3.49Å; I196-F305 HydrophobicContact CB-CD1 4.19Å; I196-F305 WeakPolarHBondContact CB-O 3.42Å; I196-F305 HydrophobicContact CG2-CB 3.8Å; I196-F305 HydrophobicContact CG2-CD1 4.21Å; I196-F319 HydrophobicContact CD1-CE2 3.92Å; I196-F323 HydrophobicContact CG2-CE2 3.94Å; I196-F323 HydrophobicContact CG2-CZ 3.66Å
197T98.9Very high90.1Very high0 Ų040 Ų400%022%0.216CC..EExtended strand (participates in β ladder)trans-150173175.1-1620000112.5L107 L199 L269 L300 M303 F305 F306 G307L107-T197 WeakPolarHBondContact O-CB 3.38Å; L107-T197 PolarHBondContact O-OG1 3.3Å; T197-L199 HydrophobicContact CG2-CD2 4.37Å; T197-L199 HydrophobicContact CG2-CG 4.46Å; T197-L269 HydrophobicContact CG2-CD2 4.16Å; T197-L300 HydrophobicContact CG2-CD1 3.73Å; T197-M303 HydrophobicContact CG2-CE 4.42Å; T197-M303 HydrophobicContact CG2-SD 3.73Å; T197-F305 PolarHBondContact N-O 3.04Å; T197-F306 HydrophobicContact CG2-CB 3.81Å; T197-F306 CarbonylContact O-C 3.59Å; T197-F306 WeakPolarHBondContact O-CA 3.43Å; T197-G307 PolarHBondContact O-N 2.77Å
198I98.8Very high92.1Very high3 Ų332.7 Ų32.72%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-126.8133.9169.8-54.5-66.8000108.4F106 T112 F117 G307 T315F106-I198 HydrophobicContact CE2-CG1 4.17Å; F106-I198 HydrophobicContact CZ-CG1 4.38Å; T112-I198 WeakPolarHBondContact CB-O 3.33Å; T112-I198 WeakPolarHBondContact CG2-O 3.36Å; T112-I198 WeakPolarHBondContact O-CG2 3.11Å; T112-I198 PolarHBondContact OG1-O 2.93Å; F117-I198 HydrophobicContact CB-CD1 4.23Å; F117-I198 HydrophobicContact CB-CG1 3.84Å; F117-I198 HydrophobicContact CD1-CD1 3.7Å; F117-I198 HydrophobicContact CD1-CG1 3.53Å; F117-I198 HydrophobicContact CD2-CD1 3.76Å; F117-I198 HydrophobicContact CD2-CG1 4.27Å; F117-I198 HydrophobicContact CE1-CD1 3.91Å; F117-I198 HydrophobicContact CE1-CG1 4.12Å; F117-I198 HydrophobicContact CE2-CD1 3.98Å; F117-I198 HydrophobicContact CG-CD1 3.61Å; F117-I198 HydrophobicContact CG-CG1 3.61Å; F117-I198 HydrophobicContact CZ-CD1 4.05Å; I198-G307 WeakPolarHBondContact CA-O 3.3Å; I198-T315 HydrophobicContact CD1-CG2 4.06Å
199L98.9Very high94.1Very high1 Ų127.3 Ų27.31%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-109.4167174.8-57179.4000112.1I109 T197 Q265 L269 L300 G307 L308 T309 Y363 A366I109-L199 HydrophobicContact CD1-CD2 3.71Å; T197-L199 HydrophobicContact CG2-CD2 4.37Å; T197-L199 HydrophobicContact CG2-CG 4.46Å; L199-Q265 HydrophobicContact CD2-CB 4.24Å; L199-Q265 HydrophobicContact CD2-CG 4.17Å; L199-L269 HydrophobicContact CD1-CD1 4.46Å; L199-L269 HydrophobicContact CD2-CD1 3.81Å; L199-L300 HydrophobicContact CD1-CD1 3.97Å; L199-L300 HydrophobicContact CD1-CD2 3.57Å; L199-L300 HydrophobicContact CD1-CG 4.44Å; L199-G307 PolarHBondContact N-O 3.11Å; L199-L308 HydrophobicContact CB-CD2 3.84Å; L199-T309 PolarHBondContact O-N 2.78Å; L199-T309 PolarHBondContact O-OG1 3.4Å; L199-Y363 HydrophobicContact CB-CD2 4.36Å; L199-A366 HydrophobicContact CD1-CB 3.61Å
200R98.2Very high95.9Very high19 Ų1923.2 Ų23.27%0.07212%0.124CC..  trans-148.1150.5179.4-171.5174.3-174.2-1751.9110.2K111 T112 R205 S208 Q265 T309 E310 T337 Y363K111-R200 VanDerWaalsContact O-CD 3.23Å; K111-R200 WeakPolarHBondContact O-CD 3.09Å; K111-R200 PolarHBondContact O-NH1 3.35Å; T112-R200 HydrophobicContact CG2-CB 4.12Å; R200-R205 HydrophobicContact CB-CB 4.06Å; R200-R205 HydrophobicContact CB-CG 4.37Å; R200-R205 HydrophobicContact CG-CB 4.17Å; R200-S208 PolarHBondContact NH1-OG 3.15Å; R200-Q265 PolarHBondContact O-NE2 3.32Å; R200-Q265 PolarHBondContact O-OE1 3.29Å; R200-T309 WeakPolarHBondContact CB-OG1 3.03Å; R200-T309 HydrophobicContact CG-CG2 4.31Å; R200-E310 WeakPolarHBondContact CG-OE1 3.3Å; R200-T337 PolarHBondContact NH2-OG1 2.87Å; R200-Y363 VanDerWaalsContact C-CD2 3.44Å; R200-Y363 VanDerWaalsContact O-CD2 3.31Å; R200-Y363 WeakPolarHBondContact O-CD2 3.49Å
201D97.6Very high97.1Very high47 Ų4721.9 Ų21.925%0.25110%0.103SC..  trans-45.1124.9170165.5-105.7000109.9V203 S204 R205 E310 Y363D201-V203 VanDerWaalsContact C-N 3.31Å; D201-V203 PolarHBondContact O-N 3.08Å; D201-V203 PolarHBondContact OD1-N 2.83Å; D201-S204 PolarHBondContact O-N 3.44Å; D201-S204 VanDerWaalsContact OD1-CB 3.31Å; D201-S204 WeakPolarHBondContact OD1-CB 3.44Å; D201-S204 PolarHBondContact OD1-N 2.85Å; D201-S204 PolarHBondContact OD1-OG 2.88Å; D201-R205 VanDerWaalsContact O-CB 3.3Å; D201-R205 WeakPolarHBondContact O-CB 3.41Å; D201-R205 PolarHBondContact O-N 3.45Å; D201-E310 WeakPolarHBondContact CB-OE1 3.27Å; D201-E310 PolarHBondContact N-OE1 2.95Å; D201-Y363 HydrophobicContact CB-CE1 4.25Å
202P98.3Very high97.6Very high2 Ų223.5 Ų23.51%0.01311%0.111CC..Hα-helixtrans-59.2-37.5-170.5-30.237.7000114.2R205 Y206 N356 D359 V360 Y363P202-R205 PolarHBondContact O-N 3.14Å; P202-Y206 WeakPolarHBondContact O-CB 3.5Å; P202-Y206 PolarHBondContact O-N 2.69Å; P202-N356 HydrophobicContact CB-CB 4.17Å; P202-D359 HydrophobicContact CB-CB 3.88Å; P202-D359 VanDerWaalsContact CG-C 3.45Å; P202-D359 HydrophobicContact CG-CB 3.82Å; P202-D359 VanDerWaalsContact CG-O 3.29Å; P202-D359 WeakPolarHBondContact CG-O 3.42Å; P202-V360 HydrophobicContact CB-CG2 4.17Å; P202-V360 HydrophobicContact CG-CG2 4.1Å; P202-Y363 HydrophobicContact CG-CG 4.44Å
203V97.1Very high97.7Very high8 Ų820.2 Ų20.25%0.0489%0.094CC..Hα-helixtrans-66.4-50179179.50000109.7D201 R205 Y206 L207 I352 R353D201-V203 VanDerWaalsContact C-N 3.31Å; D201-V203 PolarHBondContact O-N 3.08Å; D201-V203 PolarHBondContact OD1-N 2.83Å; V203-R205 VanDerWaalsContact C-N 3.32Å; V203-R205 PolarHBondContact O-N 3.44Å; V203-Y206 PolarHBondContact O-N 3.49Å; V203-L207 HydrophobicContact CG1-CD1 4.02Å; V203-L207 WeakPolarHBondContact O-CG 3.39Å; V203-L207 PolarHBondContact O-N 2.96Å; V203-I352 HydrophobicContact CB-CG2 4.34Å; V203-I352 HydrophobicContact CG1-CG2 4.19Å; V203-I352 HydrophobicContact CG2-CG2 4.19Å; V203-R353 HydrophobicContact CG2-CG 3.5Å
204S96.3Very high97.7Very high39 Ų3920.5 Ų20.527%0.27310%0.097SC..Hα-helixtrans-61-40.3178-58.70000112.4D201 S208 A339D201-S204 PolarHBondContact O-N 3.44Å; D201-S204 VanDerWaalsContact OD1-CB 3.31Å; D201-S204 WeakPolarHBondContact OD1-CB 3.44Å; D201-S204 PolarHBondContact OD1-N 2.85Å; D201-S204 PolarHBondContact OD1-OG 2.88Å; S204-S208 VanDerWaalsContact O-CB 3.27Å; S204-S208 WeakPolarHBondContact O-CB 3.07Å; S204-S208 PolarHBondContact O-N 3.42Å; S204-A339 VanDerWaalsContact O-CB 3.31Å; S204-A339 WeakPolarHBondContact O-CB 3.27Å
205R98Very high97.5Very high0 Ų023.2 Ų23.20%011%0.107CC..Hα-helixtrans-65.5-46.6176.3-171-144.462.869.44.7111.4K111 T112 R200 D201 P202 V203 S208 E209 A261 D359K111-R205 HydrophobicContact CB-CG 4.21Å; T112-R205 HydrophobicContact CG2-CG 4.18Å; R200-R205 HydrophobicContact CB-CB 4.06Å; R200-R205 HydrophobicContact CB-CG 4.37Å; R200-R205 HydrophobicContact CG-CB 4.17Å; D201-R205 VanDerWaalsContact O-CB 3.3Å; D201-R205 WeakPolarHBondContact O-CB 3.41Å; D201-R205 PolarHBondContact O-N 3.45Å; P202-R205 PolarHBondContact O-N 3.14Å; V203-R205 VanDerWaalsContact C-N 3.32Å; V203-R205 PolarHBondContact O-N 3.44Å; R205-S208 WeakPolarHBondContact O-CB 3.41Å; R205-S208 PolarHBondContact O-N 2.98Å; R205-E209 IonicContact CZ-OE2 3.67Å; R205-E209 IonicContact NH1-OE2 3.43Å; R205-E209 PolarHBondContact NH1-OE2 3.38Å; R205-E209 PolarHBondContact O-N 3.36Å; R205-A261 PolarHBondContact NH2-O 2.94Å; R205-D359 IonicContact NE-OD2 2.73Å
206Y98.4Very high97.4Very high0 Ų022.9 Ų22.90%011%0.113CC..Hα-helixtrans-62.5-48.1179.8-170.3-90.5000111.8P202 V203 S208 E209 W210 F253 M254 A261 N262 I352 N356P202-Y206 WeakPolarHBondContact O-CB 3.5Å; P202-Y206 PolarHBondContact O-N 2.69Å; V203-Y206 PolarHBondContact O-N 3.49Å; Y206-S208 VanDerWaalsContact C-N 3.3Å; Y206-S208 PolarHBondContact O-N 3.28Å; Y206-E209 WeakPolarHBondContact O-CA 3.22Å; Y206-E209 WeakPolarHBondContact O-CB 3.49Å; Y206-E209 PolarHBondContact O-N 2.85Å; Y206-W210 PolarHBondContact O-N 3.48Å; Y206-F253 HydrophobicContact CD1-CD1 4.38Å; Y206-F253 HydrophobicContact CD1-CE1 4.12Å; Y206-F253 HydrophobicContact CD2-CE1 4.36Å; Y206-F253 AromaticContact CE1-CD1 3.52Å; Y206-F253 HydrophobicContact CE1-CD1 3.52Å; Y206-F253 AromaticContact CE1-CE1 3.57Å; Y206-F253 HydrophobicContact CE1-CE1 3.57Å; Y206-F253 HydrophobicContact CE2-CD1 4.4Å; Y206-F253 AromaticContact CE2-CE1 3.84Å; Y206-F253 HydrophobicContact CE2-CE1 3.84Å; Y206-F253 HydrophobicContact CG-CE1 4.49Å; Y206-F253 AromaticContact CZ-CD1 3.54Å; Y206-F253 AromaticContact CZ-CE1 3.41Å; Y206-F253 VanDerWaalsContact CZ-CE1 3.41Å; Y206-F253 WeakPolarHBondContact OH-CD1 3.29Å; Y206-F253 PolarHBondContact OH-O 3.36Å; Y206-M254 HydrophobicContact CE1-CG 4.02Å; Y206-A261 HydrophobicContact CD2-CB 3.87Å; Y206-A261 HydrophobicContact CE2-CB 3.6Å; Y206-N262 VanDerWaalsContact CE2-OD1 3.22Å; Y206-N262 WeakPolarHBondContact CE2-OD1 3.3Å; Y206-N262 PolarHBondContact OH-OD1 3.37Å; Y206-I352 HydrophobicContact CD1-CD1 4.33Å; Y206-I352 HydrophobicContact CD1-CG1 4.12Å; Y206-I352 HydrophobicContact CD1-CG2 3.7Å; Y206-I352 HydrophobicContact CE1-CG1 4.23Å; Y206-I352 HydrophobicContact CE1-CG2 4.4Å; Y206-I352 HydrophobicContact CG-CG2 3.87Å; Y206-N356 WeakPolarHBondContact CD2-ND2 3.4Å
207L97.4Very high97.2Very high10 Ų1023.6 Ų23.65%0.05212%0.119CC..Hα-helixtrans-62.2-37.8175.3-69.1172.9000112.1V203 E209 W210 R211 L250 A339 V344 I352V203-L207 HydrophobicContact CG1-CD1 4.02Å; V203-L207 WeakPolarHBondContact O-CG 3.39Å; V203-L207 PolarHBondContact O-N 2.96Å; L207-E209 VanDerWaalsContact C-N 3.28Å; L207-E209 PolarHBondContact O-N 3.42Å; L207-W210 HydrophobicContact CD2-CE3 4.18Å; L207-R211 WeakPolarHBondContact O-CG 3.49Å; L207-R211 PolarHBondContact O-N 2.83Å; L207-L250 HydrophobicContact CD2-CD1 4.01Å; L207-L250 HydrophobicContact CD2-CD2 4Å; L207-A339 HydrophobicContact CB-CB 4.31Å; L207-V344 HydrophobicContact CD1-CG2 3.8Å; L207-V344 HydrophobicContact CD2-CG2 3.89Å; L207-I352 HydrophobicContact CD2-CD1 3.64Å; L207-I352 HydrophobicContact CG-CD1 4.09Å
208S96.5Very high97Very high12 Ų1225.5 Ų25.58%0.08413%0.13CC..Hα-helixtrans-64.6-34174.3-165.60000112.5K111 R200 S204 R205 Y206 H212K111-S208 VanDerWaalsContact CE-O 3.3Å; K111-S208 WeakPolarHBondContact CE-O 3.21Å; K111-S208 WeakPolarHBondContact CE-OG 3.47Å; R200-S208 PolarHBondContact NH1-OG 3.15Å; S204-S208 VanDerWaalsContact O-CB 3.27Å; S204-S208 WeakPolarHBondContact O-CB 3.07Å; S204-S208 PolarHBondContact O-N 3.42Å; R205-S208 WeakPolarHBondContact O-CB 3.41Å; R205-S208 PolarHBondContact O-N 2.98Å; Y206-S208 VanDerWaalsContact C-N 3.3Å; Y206-S208 PolarHBondContact O-N 3.28Å; S208-H212 PolarHBondContact O-N 3.44Å
209E98.2Very high96.9Very high3 Ų327.1 Ų27.11%0.01414%0.137CC..Hα-helixtrans-71-50.3175.6-170.7163.8152.300111.4K111 R205 Y206 L207 R211 H212 V213 W219 F253 A261 R264K111-E209 HydrophobicContact CG-CB 3.76Å; K111-E209 HydrophobicContact CG-CG 4.25Å; R205-E209 IonicContact CZ-OE2 3.67Å; R205-E209 IonicContact NH1-OE2 3.43Å; R205-E209 PolarHBondContact NH1-OE2 3.38Å; R205-E209 PolarHBondContact O-N 3.36Å; Y206-E209 WeakPolarHBondContact O-CA 3.22Å; Y206-E209 WeakPolarHBondContact O-CB 3.49Å; Y206-E209 PolarHBondContact O-N 2.85Å; L207-E209 VanDerWaalsContact C-N 3.28Å; L207-E209 PolarHBondContact O-N 3.42Å; E209-R211 VanDerWaalsContact C-N 3.32Å; E209-R211 PolarHBondContact O-N 3.21Å; E209-H212 CarbonylContact O-C 3.54Å; E209-H212 WeakPolarHBondContact O-CA 3.15Å; E209-H212 VanDerWaalsContact O-CB 3.31Å; E209-H212 WeakPolarHBondContact O-CB 3.4Å; E209-H212 PolarHBondContact O-N 2.65Å; E209-V213 HydrophobicContact CG-CG2 4.19Å; E209-V213 WeakPolarHBondContact O-CG2 3.27Å; E209-V213 PolarHBondContact O-N 2.97Å; E209-W219 HydrophobicContact CG-CH2 3.85Å; E209-W219 HydrophobicContact CG-CZ3 3.81Å; E209-F253 HydrophobicContact CG-CZ 4.19Å; E209-A261 HydrophobicContact CG-CB 4.26Å; E209-A261 WeakPolarHBondContact OE1-CA 3.45Å; E209-A261 VanDerWaalsContact OE1-CB 3.29Å; E209-A261 WeakPolarHBondContact OE1-CB 3.41Å; E209-R264 VanDerWaalsContact CD-NE 3.34Å; E209-R264 IonicContact OE1-CZ 3.69Å; E209-R264 VanDerWaalsContact OE1-CZ 3.31Å; E209-R264 IonicContact OE1-NE 3Å; E209-R264 PolarHBondContact OE1-NE 2.75Å; E209-R264 VanDerWaalsContact OE1-NE 3.11Å; E209-R264 IonicContact OE1-NH2 3.66Å; E209-R264 PolarHBondContact OE1-NH2 3.2Å; E209-R264 WeakPolarHBondContact OE2-CD 3.03Å; E209-R264 IonicContact OE2-CZ 2.88Å; E209-R264 IonicContact OE2-NE 2.8Å; E209-R264 PolarHBondContact OE2-NE 3.05Å; E209-R264 IonicContact OE2-NH2 2.65Å
210W97.6Very high96.7Very high15 Ų1533.2 Ų33.26%0.05716%0.163CC..Hα-helixtrans-50.2-52173.7164.455.4000111.4Y206 L207 H212 V213 Q214 C248 L250 F253 V342Y206-W210 PolarHBondContact O-N 3.48Å; L207-W210 HydrophobicContact CD2-CE3 4.18Å; W210-H212 PolarHBondContact O-N 3.47Å; W210-H212 VanDerWaalsContact O-N 3.11Å; W210-V213 PolarHBondContact O-N 3.13Å; W210-V213 VanDerWaalsContact O-N 3.08Å; W210-Q214 VanDerWaalsContact O-CB 3.31Å; W210-Q214 WeakPolarHBondContact O-CB 3.22Å; W210-Q214 PolarHBondContact O-N 3.1Å; W210-C248 PolarHBondContact NE1-O 2.84Å; W210-L250 HydrophobicContact CB-CD1 4.33Å; W210-L250 HydrophobicContact CD2-CB 4.07Å; W210-L250 HydrophobicContact CD2-CD1 3.81Å; W210-L250 HydrophobicContact CD2-CG 4.47Å; W210-L250 HydrophobicContact CE3-CB 4.33Å; W210-L250 HydrophobicContact CE3-CD1 3.94Å; W210-L250 HydrophobicContact CG-CD1 3.96Å; W210-L250 HydrophobicContact CH2-CB 3.96Å; W210-L250 HydrophobicContact CZ2-CB 3.71Å; W210-L250 HydrophobicContact CZ3-CB 4.27Å; W210-L250 HydrophobicContact CZ3-CD2 4.4Å; W210-F253 HydrophobicContact CB-CD1 3.71Å; W210-F253 HydrophobicContact CB-CD2 4.45Å; W210-F253 HydrophobicContact CB-CE1 3.78Å; W210-F253 HydrophobicContact CB-CG 4.04Å; W210-F253 HydrophobicContact CB-CZ 4.2Å; W210-F253 AromaticContact CD1-CG 3.78Å; W210-F253 HydrophobicContact CG-CB 4.4Å; W210-F253 HydrophobicContact CG-CD1 4.25Å; W210-F253 HydrophobicContact CG-CG 4.21Å; W210-V342 HydrophobicContact CZ3-CG1 3.84Å; W210-V342 HydrophobicContact CZ3-CG2 4.18Å
211R96.2Very high96.5Very high78 Ų7835.7 Ų35.729%0.29419%0.187SC..Hα-helixtrans-62.2-22.4177.2-70.3-59.9-165.1-179-0.9113.8L207 E209 R215 V342L207-R211 WeakPolarHBondContact O-CG 3.49Å; L207-R211 PolarHBondContact O-N 2.83Å; E209-R211 VanDerWaalsContact C-N 3.32Å; E209-R211 PolarHBondContact O-N 3.21Å; R211-R215 VanDerWaalsContact C-NH1 3.28Å; R211-R215 WeakPolarHBondContact O-CG 3.2Å; R211-R215 PolarHBondContact O-NH1 2.78Å; R211-V342 HydrophobicContact CG-CG2 4.14Å
212H95.9Very high96.5Very high52 Ų5234.2 Ų34.224%0.24118%0.181CC..Hα-helixtrans-80.9-40.3174.2-154.2176.1000111.9K111 S208 E209 W210 R215 A217 W219K111-H212 HydrophobicContact CD-CB 4.16Å; K111-H212 PolarHBondContact NZ-ND1 3.17Å; S208-H212 PolarHBondContact O-N 3.44Å; E209-H212 CarbonylContact O-C 3.54Å; E209-H212 WeakPolarHBondContact O-CA 3.15Å; E209-H212 VanDerWaalsContact O-CB 3.31Å; E209-H212 WeakPolarHBondContact O-CB 3.4Å; E209-H212 PolarHBondContact O-N 2.65Å; W210-H212 PolarHBondContact O-N 3.47Å; W210-H212 VanDerWaalsContact O-N 3.11Å; H212-R215 VanDerWaalsContact CA-CZ 3.47Å; H212-R215 PolarHBondContact CD2-NE 3.39Å; H212-R215 PolarHBondContact CD2-NH2 3.16Å; H212-R215 VanDerWaalsContact CG-NH2 3.28Å; H212-R215 PolarHBondContact NE2-NH2 2.91Å; H212-R215 WeakPolarHBondContact O-CG 3.4Å; H212-R215 PolarHBondContact O-N 2.9Å; H212-A217 HydrophobicContact CB-CB 4.15Å; H212-A217 WeakPolarHBondContact CD2-CB 3.31Å; H212-A217 WeakPolarHBondContact O-CB 3.31Å; H212-A217 PolarHBondContact O-N 2.97Å; H212-W219 HydrophobicContact CB-CH2 4.27Å; H212-W219 AromaticContact ND1-CH2 3.89Å; H212-W219 AromaticContact ND1-CZ2 3.5Å
213V97Very high96.5Very high9 Ų938 Ų386%0.05520%0.2CC..Hα-helixtrans-68.3-43.1177.6172.60000110.8E209 W210 R215 G216 A217 W219 W245 F253E209-V213 HydrophobicContact CG-CG2 4.19Å; E209-V213 WeakPolarHBondContact O-CG2 3.27Å; E209-V213 PolarHBondContact O-N 2.97Å; W210-V213 PolarHBondContact O-N 3.13Å; W210-V213 VanDerWaalsContact O-N 3.08Å; V213-R215 PolarHBondContact O-N 2.75Å; V213-G216 PolarHBondContact O-N 2.87Å; V213-A217 WeakPolarHBondContact CA-O 3.33Å; V213-A217 WeakPolarHBondContact CG2-O 3.32Å; V213-W219 HydrophobicContact CG2-CH2 4.49Å; V213-W219 HydrophobicContact CG2-CZ3 3.9Å; V213-W245 HydrophobicContact CG1-CB 3.65Å; V213-W245 HydrophobicContact CG1-CD2 4.2Å; V213-W245 HydrophobicContact CG1-CE3 3.77Å; V213-W245 HydrophobicContact CG1-CG 4.2Å; V213-F253 HydrophobicContact CB-CE2 3.97Å; V213-F253 HydrophobicContact CG1-CD2 4.28Å; V213-F253 HydrophobicContact CG1-CE2 4Å; V213-F253 HydrophobicContact CG2-CE2 3.92Å; V213-F253 HydrophobicContact CG2-CZ 4.47Å
214Q96.1Very high96.5Very high54 Ų5438.9 Ų38.925%0.25220%0.204SC..THydrogen-bonded Turntrans-55.3-21.8174.6-175.9176.16100113.6W210 S246 G247 C248W210-Q214 VanDerWaalsContact O-CB 3.31Å; W210-Q214 WeakPolarHBondContact O-CB 3.22Å; W210-Q214 PolarHBondContact O-N 3.1Å; Q214-S246 WeakPolarHBondContact O-CA 3.39Å; Q214-G247 PolarHBondContact O-N 2.87Å; Q214-C248 PolarHBondContact NE2-O 2.92Å
215R95.1Very high96.6Very high104 Ų10439.3 Ų39.339%0.39221%0.205SC..THydrogen-bonded Turntrans-106.918.6176.265.7179.2-176.1-105.69.4113.8R211 H212 V213 R338R211-R215 VanDerWaalsContact C-NH1 3.28Å; R211-R215 WeakPolarHBondContact O-CG 3.2Å; R211-R215 PolarHBondContact O-NH1 2.78Å; H212-R215 VanDerWaalsContact CA-CZ 3.47Å; H212-R215 PolarHBondContact CD2-NE 3.39Å; H212-R215 PolarHBondContact CD2-NH2 3.16Å; H212-R215 VanDerWaalsContact CG-NH2 3.28Å; H212-R215 PolarHBondContact NE2-NH2 2.91Å; H212-R215 WeakPolarHBondContact O-CG 3.4Å; H212-R215 PolarHBondContact O-N 2.9Å; V213-R215 PolarHBondContact O-N 2.75Å; R215-R338 VanDerWaalsContact NH1-NH1 3.1Å
216G95.2Very high96.6Very high25 Ų2539.5 Ų39.526%0.25821%0.206SC..THydrogen-bonded Turntrans100.46.8171.400000116.4V213 T218 S246V213-G216 PolarHBondContact O-N 2.87Å; G216-T218 PolarHBondContact O-N 3.32Å; G216-S246 WeakPolarHBondContact CA-OG 3.33Å; G216-S246 PolarHBondContact N-OG 2.68Å
217A95.9Very high96.5Very high15 Ų1544.6 Ų44.612%0.12423%0.234CC..  trans-74.3130.1172.800000111.3H212 V213 W219H212-A217 HydrophobicContact CB-CB 4.15Å; H212-A217 WeakPolarHBondContact CD2-CB 3.31Å; H212-A217 WeakPolarHBondContact O-CB 3.31Å; H212-A217 PolarHBondContact O-N 2.97Å; V213-A217 WeakPolarHBondContact CA-O 3.33Å; V213-A217 WeakPolarHBondContact CG2-O 3.32Å; A217-W219 HydrophobicContact CB-CH2 4.2Å; A217-W219 HydrophobicContact CB-CZ2 4.24Å; A217-W219 HydrophobicContact CB-CZ3 4.45Å
218T95.3Very high96.4Very high39 Ų3947.8 Ų47.824%0.23927%0.268CS..  trans-122.5-35.1177.756.40000112.8G216 K220 Y240 D244G216-T218 PolarHBondContact O-N 3.32Å; T218-K220 PolarHBondContact O-N 2.92Å; T218-K220 WeakPolarHBondContact OG1-CG 2.93Å; T218-K220 PolarHBondContact OG1-N 2.91Å; T218-Y240 VanDerWaalsContact CB-OH 3.29Å; T218-Y240 WeakPolarHBondContact CB-OH 3.16Å; T218-Y240 HydrophobicContact CG2-CE1 4.35Å; T218-Y240 HydrophobicContact CG2-CE2 4.23Å; T218-Y240 WeakPolarHBondContact CG2-OH 3.43Å; T218-D244 HydrophobicContact CG2-CB 3.4Å
219W96.3Very high96.4Very high38 Ų3852.8 Ų52.814%0.14429%0.285CS..  trans5228.9-164.9-51.6-80.6000113.4Q110 K111 L164 H165 E209 H212 V213 A217 A221 S222Q110-W219 HydrophobicContact CB-CH2 4.24Å; Q110-W219 HydrophobicContact CB-CZ2 4.03Å; Q110-W219 HydrophobicContact CG-CD2 3.88Å; Q110-W219 HydrophobicContact CG-CE3 4.29Å; Q110-W219 HydrophobicContact CG-CG 4.37Å; Q110-W219 HydrophobicContact CG-CH2 4.15Å; Q110-W219 HydrophobicContact CG-CZ2 3.69Å; Q110-W219 HydrophobicContact CG-CZ3 4.41Å; K111-W219 HydrophobicContact CD-CH2 4.17Å; K111-W219 HydrophobicContact CD-CZ2 4.15Å; K111-W219 HydrophobicContact CG-CH2 4.48Å; L164-W219 HydrophobicContact CD2-CB 4Å; L164-W219 HydrophobicContact CD2-CG 4.49Å; H165-W219 AromaticContact CD2-CD1 3.46Å; H165-W219 VanDerWaalsContact CD2-CD1 3.46Å; H165-W219 AromaticContact CD2-NE1 3.62Å; H165-W219 AromaticContact NE2-CD1 3.81Å; H165-W219 AromaticContact NE2-NE1 3.47Å; H165-W219 PolarHBondContact NE2-NE1 3.28Å; E209-W219 HydrophobicContact CG-CH2 3.85Å; E209-W219 HydrophobicContact CG-CZ3 3.81Å; H212-W219 HydrophobicContact CB-CH2 4.27Å; H212-W219 AromaticContact ND1-CH2 3.89Å; H212-W219 AromaticContact ND1-CZ2 3.5Å; V213-W219 HydrophobicContact CG2-CH2 4.49Å; V213-W219 HydrophobicContact CG2-CZ3 3.9Å; A217-W219 HydrophobicContact CB-CH2 4.2Å; A217-W219 HydrophobicContact CB-CZ2 4.24Å; A217-W219 HydrophobicContact CB-CZ3 4.45Å; W219-A221 PolarHBondContact O-N 3.38Å; W219-S222 WeakPolarHBondContact O-CB 3.46Å; W219-S222 PolarHBondContact O-N 3.22Å; W219-S222 PolarHBondContact O-OG 3.39Å
220K93.8Very high96.4Very high128 Ų12855.5 Ų55.556%0.55731%0.305SS*.THydrogen-bonded Turntrans-61.1-14.1-17768.3-174.7179.9-176.20115.3T218 S222 D243T218-K220 PolarHBondContact O-N 2.92Å; T218-K220 WeakPolarHBondContact OG1-CG 2.93Å; T218-K220 PolarHBondContact OG1-N 2.91Å; K220-S222 VanDerWaalsContact C-N 3.32Å; K220-D243 PolarHBondContact NZ-O 2.83Å; K220-D243 IonicContact NZ-OD1 3.2Å; K220-D243 PolarHBondContact NZ-OD1 3.15Å
221A95.4Very high96.4Very high71 Ų7156 Ų5659%0.58731%0.31SS*.THydrogen-bonded Turntrans-88.47.7174.100000113.8L164 W219L164-A221 HydrophobicContact CD2-CB 4.2Å; W219-A221 PolarHBondContact O-N 3.38Å
222S97.4Very high96.3Very high16 Ų1655.6 Ų55.611%0.11232%0.316CS..  trans-67.6137.1171.2-51.40000109.1L164 W219 K220 H224L164-S222 PolarHBondContact O-OG 2.78Å; W219-S222 WeakPolarHBondContact O-CB 3.46Å; W219-S222 PolarHBondContact O-N 3.22Å; W219-S222 PolarHBondContact O-OG 3.39Å; K220-S222 VanDerWaalsContact C-N 3.32Å; S222-H224 WeakPolarHBondContact CB-NE2 3.46Å
223L97.3Very high96.2Very high81 Ų8160.3 Ų60.342%0.42434%0.342SS..  trans-83.8-33.4-173.1-54.9175.9000111.9V225 S230L223-V225 HydrophobicContact CB-CG2 3.72Å; L223-V225 HydrophobicContact CD1-CG2 4.46Å; L223-V225 PolarHBondContact O-N 2.9Å; L223-S230 VanDerWaalsContact O-CB 3.27Å; L223-S230 WeakPolarHBondContact O-CB 3.29Å; L223-S230 PolarHBondContact O-OG 3.01Å
224H98Very high96Very high28 Ų2864.8 Ų64.813%0.1337%0.374CS..  trans56.238.4-178.3-63.7-48.4000111.7E170 S222 C226 P231 Y278E170-H224 WeakPolarHBondContact OE1-CA 3.38Å; E170-H224 PolarHBondContact OE1-N 2.92Å; S222-H224 WeakPolarHBondContact CB-NE2 3.46Å; H224-C226 PolarHBondContact O-N 2.79Å; H224-P231 HydrophobicContact CB-CG 3.78Å; H224-P231 VanDerWaalsContact O-CD 3.23Å; H224-P231 WeakPolarHBondContact O-CD 3.35Å; H224-Y278 HydrophobicContact CB-CE2 3.78Å; H224-Y278 WeakPolarHBondContact CB-OH 3.41Å; H224-Y278 PolarHBondContact ND1-OH 3.13Å; H224-Y278 VanDerWaalsContact O-CE2 3.27Å; H224-Y278 WeakPolarHBondContact O-CE2 3.46Å
225V97.8Very high96Very high47 Ų4764.1 Ų64.129%0.28537%0.371SS..  trans-68.9125.4-176176.30000110.2E170 L223 R229E170-V225 HydrophobicContact CG-CB 4.19Å; E170-V225 VanDerWaalsContact CG-O 3.29Å; E170-V225 WeakPolarHBondContact CG-O 3.5Å; E170-V225 PolarHBondContact OE1-N 3.44Å; L223-V225 HydrophobicContact CB-CG2 3.72Å; L223-V225 HydrophobicContact CD1-CG2 4.46Å; L223-V225 PolarHBondContact O-N 2.9Å; V225-R229 WeakPolarHBondContact CA-O 3.34Å
226C98.1Very high96Very high4 Ų460.8 Ų60.83%0.02736%0.361CS..BIsolated β-bridgetrans-143.9139.1171.8179.90000108.1T169 H224 G228 R229 C277 Y278T169-C226 HydrophobicContact CG2-CB 4.23Å; H224-C226 PolarHBondContact O-N 2.79Å; C226-G228 PolarHBondContact O-N 2.89Å; C226-G228 VanDerWaalsContact O-N 3.14Å; C226-R229 PolarHBondContact N-O 3.06Å; C226-R229 PolarHBondContact O-N 2.92Å; C226-R229 VanDerWaalsContact O-N 3.17Å; C226-C277 HydrophobicContact CB-CB 3.57Å; C226-C277 WeakPolarHBondContact CB-SG 3.47Å; C226-C277 WeakPolarHBondContact SG-CA 3.4Å; C226-C277 WeakPolarHBondContact SG-CB 3.29Å; C226-C277 CovalentContact SG-SG 2.03Å; C226-C277 PolarHBondContact SG-SG 3.07Å; C226-Y278 HydrophobicContact CB-CE2 4.43Å
227D96.3Very high96Very high108 Ų10861.9 Ų61.958%0.57836%0.364SS*.THydrogen-bonded Turntrans48.439.8-172.8-63.4-11.2000113.7R229 S273 C277D227-R229 VanDerWaalsContact C-N 3.34Å; D227-R229 PolarHBondContact O-N 3.43Å; D227-S273 VanDerWaalsContact OD1-CB 3.27Å; D227-S273 WeakPolarHBondContact OD1-CB 3.39Å; D227-C277 PolarHBondContact OD2-SG 3.37Å; D227-C277 VanDerWaalsContact OD2-SG 3.33Å
228G95.3Very high95.9Very high76 Ų7664 Ų6478%0.78438%0.378SS*.THydrogen-bonded Turntrans79.14.8174.500000116C226C226-G228 PolarHBondContact O-N 2.89Å; C226-G228 VanDerWaalsContact O-N 3.14Å
229R97Very high96Very high117 Ų11763.3 Ų63.344%0.44237%0.374SS..BIsolated β-bridgetrans-138.4158.9177.767.1174.6-174.586.5-4.3113.5V225 C226 D227 E235V225-R229 WeakPolarHBondContact CA-O 3.34Å; C226-R229 PolarHBondContact N-O 3.06Å; C226-R229 PolarHBondContact O-N 2.92Å; C226-R229 VanDerWaalsContact O-N 3.17Å; D227-R229 VanDerWaalsContact C-N 3.34Å; D227-R229 PolarHBondContact O-N 3.43Å; R229-E235 IonicContact CZ-OE1 2.68Å; R229-E235 IonicContact CZ-OE2 2.69Å; R229-E235 IonicContact NH1-OE1 3.46Å; R229-E235 PolarHBondContact NH1-OE1 3.26Å; R229-E235 IonicContact NH1-OE2 2.77Å; R229-E235 PolarHBondContact NH1-OE2 2.89Å; R229-E235 IonicContact NH2-OE1 2.84Å; R229-E235 PolarHBondContact NH2-OE1 3.49Å; R229-E235 IonicContact NH2-OE2 3.93Å
230S97.6Very high95.9Very high60 Ų6063.2 Ų63.242%0.4237%0.374SS..PPolyproline II helixtrans-79.1153.1167.1-67.30000111.2L223L223-S230 VanDerWaalsContact O-CB 3.27Å; L223-S230 WeakPolarHBondContact O-CB 3.29Å; L223-S230 PolarHBondContact O-OG 3.01Å
231P97.2Very high95.6Very high27 Ų2763.1 Ų63.118%0.17539%0.386CS..PPolyproline II helixtrans-68.3151.317528.9-35.6000111.4H224 E235 L236 Y278H224-P231 HydrophobicContact CB-CG 3.78Å; H224-P231 VanDerWaalsContact O-CD 3.23Å; H224-P231 WeakPolarHBondContact O-CD 3.35Å; P231-E235 VanDerWaalsContact CA-OE2 3.26Å; P231-E235 WeakPolarHBondContact CA-OE2 3.28Å; P231-E235 HydrophobicContact CB-CB 4.03Å; P231-L236 HydrophobicContact CB-CB 4.08Å; P231-L236 HydrophobicContact CG-CB 4.1Å; P231-L236 HydrophobicContact CG-CD1 3.89Å; P231-Y278 HydrophobicContact CB-CD2 3.85Å; P231-Y278 HydrophobicContact CB-CG 3.96Å; P231-Y278 HydrophobicContact CG-CD2 3.94Å; P231-Y278 HydrophobicContact CG-CE2 4.26Å; P231-Y278 HydrophobicContact CG-CG 4.27Å
232T95.3Very high95.4Very high68 Ų6863.1 Ų63.142%0.41739%0.393SS..PPolyproline II helixtrans-76.6166.4169.668.90000110.9S234 E235 L236T232-S234 PolarHBondContact O-N 3Å; T232-S234 PolarHBondContact OG1-N 3.47Å; T232-S234 PolarHBondContact OG1-OG 3.23Å; T232-E235 PolarHBondContact N-OE2 3.49Å; T232-E235 PolarHBondContact O-N 2.87Å; T232-E235 VanDerWaalsContact O-N 3.11Å; T232-E235 WeakPolarHBondContact OG1-CG 3.39Å; T232-E235 PolarHBondContact OG1-N 3.45Å; T232-L236 PolarHBondContact O-N 2.86Å
233L92.6Very high95.1Very high151 Ų15168.2 Ų68.279%0.79142%0.419SS*.THydrogen-bonded Turntrans-63.3-21.6172.9-66.6175.3000113.3L236 P237L233-L236 CarbonylContact O-C 3.46Å; L233-P237 WeakPolarHBondContact O-CA 3.49Å
234S93.3Very high95Very high103 Ų10367.5 Ų67.572%0.7242%0.415SS*.THydrogen-bonded Turntrans-79.1-32.117460.90000112.3T232T232-S234 PolarHBondContact O-N 3Å; T232-S234 PolarHBondContact OG1-N 3.47Å; T232-S234 PolarHBondContact OG1-OG 3.23Å
235E95.2Very high94.9Very high41 Ų4167.7 Ų67.719%0.19242%0.415CS..THydrogen-bonded Turntrans-78-32.2175-68.4171.2143.800111.8R229 P231 T232R229-E235 IonicContact CZ-OE1 2.68Å; R229-E235 IonicContact CZ-OE2 2.69Å; R229-E235 IonicContact NH1-OE1 3.46Å; R229-E235 PolarHBondContact NH1-OE1 3.26Å; R229-E235 IonicContact NH1-OE2 2.77Å; R229-E235 PolarHBondContact NH1-OE2 2.89Å; R229-E235 IonicContact NH2-OE1 2.84Å; R229-E235 PolarHBondContact NH2-OE1 3.49Å; R229-E235 IonicContact NH2-OE2 3.93Å; P231-E235 VanDerWaalsContact CA-OE2 3.26Å; P231-E235 WeakPolarHBondContact CA-OE2 3.28Å; P231-E235 HydrophobicContact CB-CB 4.03Å; T232-E235 PolarHBondContact N-OE2 3.49Å; T232-E235 PolarHBondContact O-N 2.87Å; T232-E235 VanDerWaalsContact O-N 3.11Å; T232-E235 WeakPolarHBondContact OG1-CG 3.39Å; T232-E235 PolarHBondContact OG1-N 3.45Å
236L95.4Very high94.9Very high33 Ų3368.3 Ų68.317%0.17342%0.421CS..SBendtrans-137.384.3179.4-158.1163.9000111.1P231 T232 L233 L260 Y278P231-L236 HydrophobicContact CB-CB 4.08Å; P231-L236 HydrophobicContact CG-CB 4.1Å; P231-L236 HydrophobicContact CG-CD1 3.89Å; T232-L236 PolarHBondContact O-N 2.86Å; L233-L236 CarbonylContact O-C 3.46Å; L236-L260 HydrophobicContact CD1-CD1 4.21Å; L236-L260 HydrophobicContact CD1-CD2 4.1Å; L236-L260 HydrophobicContact CD2-CD1 4.05Å; L236-L260 HydrophobicContact CD2-CD2 4.44Å; L236-L260 HydrophobicContact CD2-CG 4.32Å; L236-L260 HydrophobicContact CG-CD2 4.31Å; L236-Y278 HydrophobicContact CD1-CD1 3.86Å; L236-Y278 HydrophobicContact CD1-CE1 3.8Å
237P95.4Very high94.7Very high49 Ų4970.9 Ų70.932%0.31845%0.449SS..  trans-68.9157.9177.2-19.633.1000113.9L233 Y258L233-P237 WeakPolarHBondContact O-CA 3.49Å; P237-Y258 HydrophobicContact CB-CD1 4.06Å; P237-Y258 HydrophobicContact CB-CD2 4Å; P237-Y258 HydrophobicContact CB-CE1 4.35Å; P237-Y258 HydrophobicContact CB-CE2 4.25Å; P237-Y258 HydrophobicContact CB-CG 3.92Å; P237-Y258 HydrophobicContact CG-CD1 4.39Å; P237-Y258 HydrophobicContact CG-CG 4.32Å; P237-Y258 WeakPolarHBondContact O-CD2 3.38Å
238S94.4Very high94.7Very high60 Ų6065.9 Ų65.942%0.4242%0.422SS..  trans-93.9141.1179.1179.50000113.1Y240 Y258S238-Y240 VanDerWaalsContact C-N 3.27Å; S238-Y240 PolarHBondContact O-N 3.43Å; S238-Y240 PolarHBondContact OG-N 2.97Å; S238-Y240 PolarHBondContact OG-O 3.46Å; S238-Y258 WeakPolarHBondContact O-CE2 3.45Å; S238-Y258 PolarHBondContact O-OH 3.17Å; S238-Y258 VanDerWaalsContact O-OH 3.13Å
239C96.6Very high94.8Very high23 Ų2364.4 Ų64.416%0.15540%0.4CS..SBendtrans-83-6.4-177.1-69.40000114W245 C256 Y258 N259C239-W245 HydrophobicContact CB-CD2 4.09Å; C239-W245 HydrophobicContact CB-CE3 3.66Å; C239-W245 HydrophobicContact CB-CH2 3.32Å; C239-W245 HydrophobicContact CB-CZ2 3.74Å; C239-W245 HydrophobicContact CB-CZ3 3.26Å; C239-C256 HydrophobicContact CB-CB 3.86Å; C239-C256 WeakPolarHBondContact CB-SG 3.44Å; C239-C256 WeakPolarHBondContact SG-CB 3.47Å; C239-C256 CovalentContact SG-SG 2.04Å; C239-C256 PolarHBondContact SG-SG 3.17Å; C239-Y258 HydrophobicContact CB-CE2 3.9Å; C239-Y258 VanDerWaalsContact N-CE2 3.31Å; C239-Y258 VanDerWaalsContact SG-CD2 3.59Å; C239-Y258 WeakPolarHBondContact SG-CE2 3.35Å; C239-N259 VanDerWaalsContact SG-CA 3.5Å
240Y94Very high94.8Very high37 Ų3760.1 Ų60.115%0.14539%0.386CS..SBendtrans-138.4141.1-175.453.1-88.2000109T218 S238 D244 W245T218-Y240 VanDerWaalsContact CB-OH 3.29Å; T218-Y240 WeakPolarHBondContact CB-OH 3.16Å; T218-Y240 HydrophobicContact CG2-CE1 4.35Å; T218-Y240 HydrophobicContact CG2-CE2 4.23Å; T218-Y240 WeakPolarHBondContact CG2-OH 3.43Å; S238-Y240 VanDerWaalsContact C-N 3.27Å; S238-Y240 PolarHBondContact O-N 3.43Å; S238-Y240 PolarHBondContact OG-N 2.97Å; S238-Y240 PolarHBondContact OG-O 3.46Å; Y240-D244 VanDerWaalsContact CD2-O 3.22Å; Y240-D244 WeakPolarHBondContact CD2-O 3.35Å; Y240-W245 HydrophobicContact CD1-CB 3.54Å; Y240-W245 HydrophobicContact CD1-CD2 4.11Å; Y240-W245 HydrophobicContact CD1-CE3 4.19Å; Y240-W245 AromaticContact CD1-CG 3.87Å; Y240-W245 HydrophobicContact CD1-CG 3.87Å; Y240-W245 HydrophobicContact CE1-CB 4.29Å; Y240-W245 HydrophobicContact CG-CB 3.71Å; Y240-W245 HydrophobicContact CG-CG 4.03Å
241P87.6Confident94.7Very high125 Ų12562.1 Ų62.181%0.81239%0.388SS*.SBendtrans-73.6146.316532.2-32.5000109.6
242G91.1Very high94.8Very high71 Ų7165.9 Ų65.973%0.73240%0.404SS*.SBendtrans81.5-142.7173.100000114.9
243D92.6Very high94.9Very high123 Ų12362.6 Ų62.666%0.65838%0.384SS*.SBendtrans-84.8-37.8-163.6-86.7-44000115.2K220K220-D243 PolarHBondContact NZ-O 2.83Å; K220-D243 IonicContact NZ-OD1 3.2Å; K220-D243 PolarHBondContact NZ-OD1 3.15Å
244D94.8Very high95.1Very high66 Ų6655.8 Ų55.835%0.35335%0.348SS..  trans-154.4-179.7-18067.844.8000112.8T218 Y240 S246T218-D244 HydrophobicContact CG2-CB 3.4Å; Y240-D244 VanDerWaalsContact CD2-O 3.22Å; Y240-D244 WeakPolarHBondContact CD2-O 3.35Å; D244-S246 WeakPolarHBondContact OD1-CB 3.39Å; D244-S246 PolarHBondContact OD1-N 3.1Å; D244-S246 PolarHBondContact OD1-OG 3.38Å; D244-S246 PolarHBondContact OD2-OG 3.38Å
245W96Very high95.4Very high32 Ų3254.9 Ų54.912%0.12134%0.335CS..  trans-112.835.8180-1517.2000112V213 C239 Y240 C248 E252 F253 C256V213-W245 HydrophobicContact CG1-CB 3.65Å; V213-W245 HydrophobicContact CG1-CD2 4.2Å; V213-W245 HydrophobicContact CG1-CE3 3.77Å; V213-W245 HydrophobicContact CG1-CG 4.2Å; C239-W245 HydrophobicContact CB-CD2 4.09Å; C239-W245 HydrophobicContact CB-CE3 3.66Å; C239-W245 HydrophobicContact CB-CH2 3.32Å; C239-W245 HydrophobicContact CB-CZ2 3.74Å; C239-W245 HydrophobicContact CB-CZ3 3.26Å; Y240-W245 HydrophobicContact CD1-CB 3.54Å; Y240-W245 HydrophobicContact CD1-CD2 4.11Å; Y240-W245 HydrophobicContact CD1-CE3 4.19Å; Y240-W245 AromaticContact CD1-CG 3.87Å; Y240-W245 HydrophobicContact CD1-CG 3.87Å; Y240-W245 HydrophobicContact CE1-CB 4.29Å; Y240-W245 HydrophobicContact CG-CB 3.71Å; Y240-W245 HydrophobicContact CG-CG 4.03Å; W245-C248 HydrophobicContact CD2-CB 4.11Å; W245-C248 HydrophobicContact CG-CB 3.9Å; W245-C248 WeakPolarHBondContact O-CB 3.39Å; W245-C248 PolarHBondContact O-N 3.02Å; W245-C248 PolarHBondContact O-SG 3.27Å; W245-E252 HydrophobicContact CZ2-CB 4.46Å; W245-E252 WeakPolarHBondContact CZ2-O 3.47Å; W245-F253 AromaticContact CE3-CD2 3.92Å; W245-F253 HydrophobicContact CE3-CD2 3.92Å; W245-F253 HydrophobicContact CE3-CE2 4.24Å; W245-F253 HydrophobicContact CH2-CB 4.42Å; W245-F253 AromaticContact CH2-CD2 3.95Å; W245-F253 HydrophobicContact CH2-CD2 3.95Å; W245-F253 HydrophobicContact CH2-CG 4.49Å; W245-F253 AromaticContact CZ3-CD2 3.46Å; W245-F253 HydrophobicContact CZ3-CD2 3.46Å; W245-F253 VanDerWaalsContact CZ3-CD2 3.46Å; W245-F253 AromaticContact CZ3-CE2 3.87Å; W245-F253 HydrophobicContact CZ3-CE2 3.87Å; W245-F253 HydrophobicContact CZ3-CG 4.39Å; W245-C256 HydrophobicContact CH2-CB 3.62Å; W245-C256 HydrophobicContact CZ2-CB 4.23Å
246S96.4Very high95.5Very high60 Ų6053.4 Ų53.442%0.4233%0.329SS..THydrogen-bonded Turntrans-59.6142.3178.6-63.30000111.3Q214 G216 D244 C248Q214-S246 WeakPolarHBondContact O-CA 3.39Å; G216-S246 WeakPolarHBondContact CA-OG 3.33Å; G216-S246 PolarHBondContact N-OG 2.68Å; D244-S246 WeakPolarHBondContact OD1-CB 3.39Å; D244-S246 PolarHBondContact OD1-N 3.1Å; D244-S246 PolarHBondContact OD1-OG 3.38Å; D244-S246 PolarHBondContact OD2-OG 3.38Å; S246-C248 PolarHBondContact O-N 3.07Å
247G95.4Very high95.5Very high58 Ų5857 Ų5760%0.59835%0.354SS*.THydrogen-bonded Turntrans78-6.8179.500000115.6Q214 S249Q214-G247 PolarHBondContact O-N 2.87Å; G247-S249 PolarHBondContact O-N 2.89Å
248C96.4Very high95.5Very high4 Ų459.1 Ų59.13%0.02736%0.357CS..  trans-54.6134.9-178.964.80000112.7W210 Q214 W245 S246W210-C248 PolarHBondContact NE1-O 2.84Å; Q214-C248 PolarHBondContact NE2-O 2.92Å; W245-C248 HydrophobicContact CD2-CB 4.11Å; W245-C248 HydrophobicContact CG-CB 3.9Å; W245-C248 WeakPolarHBondContact O-CB 3.39Å; W245-C248 PolarHBondContact O-N 3.02Å; W245-C248 PolarHBondContact O-SG 3.27Å; S246-C248 PolarHBondContact O-N 3.07Å
249S96.5Very high95.6Very high45 Ų4556.9 Ų56.932%0.31534%0.34SS..  trans-69.6161.2171.567.30000110.7G247 Q251 E252 F253G247-S249 PolarHBondContact O-N 2.89Å; S249-Q251 PolarHBondContact O-N 3.47Å; S249-E252 WeakPolarHBondContact CB-OE2 3.3Å; S249-E252 PolarHBondContact N-OE2 3.32Å; S249-E252 VanDerWaalsContact OG-CD 3.3Å; S249-E252 VanDerWaalsContact OG-CG 3.27Å; S249-E252 WeakPolarHBondContact OG-CG 3.5Å; S249-E252 PolarHBondContact OG-N 3.2Å; S249-E252 VanDerWaalsContact OG-N 3.15Å; S249-E252 PolarHBondContact OG-OE2 2.85Å; S249-F253 WeakPolarHBondContact O-CB 3.47Å; S249-F253 PolarHBondContact O-N 2.89Å; S249-F253 VanDerWaalsContact O-N 3.08Å
250L96.6Very high95.7Very high26 Ų2657.7 Ų57.714%0.13634%0.342CS..Hα-helixtrans-62.2-33.5174.1179.857.9000111.1L207 W210 F253 M254 V344 T348L207-L250 HydrophobicContact CD2-CD1 4.01Å; L207-L250 HydrophobicContact CD2-CD2 4Å; W210-L250 HydrophobicContact CB-CD1 4.33Å; W210-L250 HydrophobicContact CD2-CB 4.07Å; W210-L250 HydrophobicContact CD2-CD1 3.81Å; W210-L250 HydrophobicContact CD2-CG 4.47Å; W210-L250 HydrophobicContact CE3-CB 4.33Å; W210-L250 HydrophobicContact CE3-CD1 3.94Å; W210-L250 HydrophobicContact CG-CD1 3.96Å; W210-L250 HydrophobicContact CH2-CB 3.96Å; W210-L250 HydrophobicContact CZ2-CB 3.71Å; W210-L250 HydrophobicContact CZ3-CB 4.27Å; W210-L250 HydrophobicContact CZ3-CD2 4.4Å; L250-F253 PolarHBondContact O-N 3.36Å; L250-M254 HydrophobicContact CD1-CG 4.22Å; L250-M254 HydrophobicContact CD1-SD 4.39Å; L250-M254 HydrophobicContact CG-CE 4.06Å; L250-M254 HydrophobicContact CG-CG 4.49Å; L250-M254 HydrophobicContact CG-SD 4.25Å; L250-M254 VanDerWaalsContact O-CG 3.3Å; L250-M254 WeakPolarHBondContact O-CG 3.35Å; L250-M254 PolarHBondContact O-N 2.86Å; L250-V344 HydrophobicContact CD2-CG1 4.46Å; L250-V344 HydrophobicContact CD2-CG2 4.5Å; L250-T348 HydrophobicContact CD2-CG2 3.85Å
251Q96.8Very high95.9Very high103 Ų10356 Ų5648%0.48134%0.336SS..Hα-helixtrans-64.7-52.9178.9-170.259.145.600111.4S249 F253 M254 D255S249-Q251 PolarHBondContact O-N 3.47Å; Q251-F253 PolarHBondContact O-N 2.81Å; Q251-M254 PolarHBondContact O-N 3.19Å; Q251-D255 WeakPolarHBondContact CG-OD2 3.41Å; Q251-D255 PolarHBondContact NE2-OD1 3.28Å; Q251-D255 PolarHBondContact NE2-OD2 3.31Å; Q251-D255 WeakPolarHBondContact O-CB 3.42Å; Q251-D255 PolarHBondContact O-N 3.26Å
252E97.5Very high96.5Very high105 Ų10550.9 Ų50.949%0.49130%0.302SS..Hα-helixtrans-57.7-38.6175.5-69161.2135.900111.7W245 S249 M254 D255 C256W245-E252 HydrophobicContact CZ2-CB 4.46Å; W245-E252 WeakPolarHBondContact CZ2-O 3.47Å; S249-E252 WeakPolarHBondContact CB-OE2 3.3Å; S249-E252 PolarHBondContact N-OE2 3.32Å; S249-E252 VanDerWaalsContact OG-CD 3.3Å; S249-E252 VanDerWaalsContact OG-CG 3.27Å; S249-E252 WeakPolarHBondContact OG-CG 3.5Å; S249-E252 PolarHBondContact OG-N 3.2Å; S249-E252 VanDerWaalsContact OG-N 3.15Å; S249-E252 PolarHBondContact OG-OE2 2.85Å; E252-M254 PolarHBondContact O-N 3.21Å; E252-D255 PolarHBondContact O-N 2.92Å; E252-C256 PolarHBondContact O-N 2.92Å
253F98Very high96.8Very high0 Ų048 Ų480%027%0.269CS..Hα-helixtrans-62.6-41176.6-168.1-100.5000112.6Y206 E209 W210 V213 W245 S249 L250 Q251 N259 A261Y206-F253 HydrophobicContact CD1-CD1 4.38Å; Y206-F253 HydrophobicContact CD1-CE1 4.12Å; Y206-F253 HydrophobicContact CD2-CE1 4.36Å; Y206-F253 AromaticContact CE1-CD1 3.52Å; Y206-F253 HydrophobicContact CE1-CD1 3.52Å; Y206-F253 AromaticContact CE1-CE1 3.57Å; Y206-F253 HydrophobicContact CE1-CE1 3.57Å; Y206-F253 HydrophobicContact CE2-CD1 4.4Å; Y206-F253 AromaticContact CE2-CE1 3.84Å; Y206-F253 HydrophobicContact CE2-CE1 3.84Å; Y206-F253 HydrophobicContact CG-CE1 4.49Å; Y206-F253 AromaticContact CZ-CD1 3.54Å; Y206-F253 AromaticContact CZ-CE1 3.41Å; Y206-F253 VanDerWaalsContact CZ-CE1 3.41Å; Y206-F253 WeakPolarHBondContact OH-CD1 3.29Å; Y206-F253 PolarHBondContact OH-O 3.36Å; E209-F253 HydrophobicContact CG-CZ 4.19Å; W210-F253 HydrophobicContact CB-CD1 3.71Å; W210-F253 HydrophobicContact CB-CD2 4.45Å; W210-F253 HydrophobicContact CB-CE1 3.78Å; W210-F253 HydrophobicContact CB-CG 4.04Å; W210-F253 HydrophobicContact CB-CZ 4.2Å; W210-F253 AromaticContact CD1-CG 3.78Å; W210-F253 HydrophobicContact CG-CB 4.4Å; W210-F253 HydrophobicContact CG-CD1 4.25Å; W210-F253 HydrophobicContact CG-CG 4.21Å; V213-F253 HydrophobicContact CB-CE2 3.97Å; V213-F253 HydrophobicContact CG1-CD2 4.28Å; V213-F253 HydrophobicContact CG1-CE2 4Å; V213-F253 HydrophobicContact CG2-CE2 3.92Å; V213-F253 HydrophobicContact CG2-CZ 4.47Å; W245-F253 AromaticContact CE3-CD2 3.92Å; W245-F253 HydrophobicContact CE3-CD2 3.92Å; W245-F253 HydrophobicContact CE3-CE2 4.24Å; W245-F253 HydrophobicContact CH2-CB 4.42Å; W245-F253 AromaticContact CH2-CD2 3.95Å; W245-F253 HydrophobicContact CH2-CD2 3.95Å; W245-F253 HydrophobicContact CH2-CG 4.49Å; W245-F253 AromaticContact CZ3-CD2 3.46Å; W245-F253 HydrophobicContact CZ3-CD2 3.46Å; W245-F253 VanDerWaalsContact CZ3-CD2 3.46Å; W245-F253 AromaticContact CZ3-CE2 3.87Å; W245-F253 HydrophobicContact CZ3-CE2 3.87Å; W245-F253 HydrophobicContact CZ3-CG 4.39Å; S249-F253 WeakPolarHBondContact O-CB 3.47Å; S249-F253 PolarHBondContact O-N 2.89Å; S249-F253 VanDerWaalsContact O-N 3.08Å; L250-F253 PolarHBondContact O-N 3.36Å; Q251-F253 PolarHBondContact O-N 2.81Å; F253-N259 WeakPolarHBondContact CD2-ND2 3.4Å; F253-N259 WeakPolarHBondContact CE1-ND2 3.19Å; F253-N259 VanDerWaalsContact CE2-ND2 3.3Å; F253-N259 WeakPolarHBondContact CE2-ND2 3.49Å; F253-N259 VanDerWaalsContact CZ-ND2 3.31Å; F253-N259 WeakPolarHBondContact CZ-ND2 3.34Å; F253-N259 PolarHBondContact O-ND2 3.44Å; F253-A261 HydrophobicContact CE1-CB 3.7Å; F253-A261 HydrophobicContact CZ-CB 3.45Å; F253-A261 VanDerWaalsContact CZ-CB 3.45Å
254M98.1Very high97.1Very high7 Ų742.5 Ų42.53%0.03424%0.239CC..Hα-helixtrans-75-31.4177.9-73.2-175-53.200113.6Y206 L250 Q251 E252 T348 R351 I352 L355Y206-M254 HydrophobicContact CE1-CG 4.02Å; L250-M254 HydrophobicContact CD1-CG 4.22Å; L250-M254 HydrophobicContact CD1-SD 4.39Å; L250-M254 HydrophobicContact CG-CE 4.06Å; L250-M254 HydrophobicContact CG-CG 4.49Å; L250-M254 HydrophobicContact CG-SD 4.25Å; L250-M254 VanDerWaalsContact O-CG 3.3Å; L250-M254 WeakPolarHBondContact O-CG 3.35Å; L250-M254 PolarHBondContact O-N 2.86Å; Q251-M254 PolarHBondContact O-N 3.19Å; E252-M254 PolarHBondContact O-N 3.21Å; M254-T348 HydrophobicContact CE-CG2 4Å; M254-T348 HydrophobicContact SD-CG2 4.08Å; M254-R351 HydrophobicContact SD-CG 4.2Å; M254-I352 HydrophobicContact CG-CG1 4.49Å; M254-I352 HydrophobicContact SD-CD1 4.36Å; M254-I352 HydrophobicContact SD-CG1 3.69Å; M254-L355 HydrophobicContact CB-CD1 3.76Å; M254-L355 HydrophobicContact CG-CD1 3.82Å; M254-L355 HydrophobicContact SD-CD1 4.47Å
255D97.9Very high97.3Very high85 Ų8539.5 Ų39.546%0.45522%0.223SC..Hα-helixtrans-81.3-17.4-172.7-71.2-18.6000113.3Q251 E252 P257Q251-D255 WeakPolarHBondContact CG-OD2 3.41Å; Q251-D255 PolarHBondContact NE2-OD1 3.28Å; Q251-D255 PolarHBondContact NE2-OD2 3.31Å; Q251-D255 WeakPolarHBondContact O-CB 3.42Å; Q251-D255 PolarHBondContact O-N 3.26Å; E252-D255 PolarHBondContact O-N 2.92Å; D255-P257 VanDerWaalsContact O-CD 3.22Å; D255-P257 WeakPolarHBondContact O-CD 3.4Å
256C97.6Very high97.4Very high9 Ų938 Ų386%0.06122%0.217CC..  trans-69.6113.7174.2-179.70000111.4C239 W245 E252 Y258 N259C239-C256 HydrophobicContact CB-CB 3.86Å; C239-C256 WeakPolarHBondContact CB-SG 3.44Å; C239-C256 WeakPolarHBondContact SG-CB 3.47Å; C239-C256 CovalentContact SG-SG 2.04Å; C239-C256 PolarHBondContact SG-SG 3.17Å; W245-C256 HydrophobicContact CH2-CB 3.62Å; W245-C256 HydrophobicContact CZ2-CB 4.23Å; E252-C256 PolarHBondContact O-N 2.92Å; C256-Y258 VanDerWaalsContact C-N 3.31Å; C256-Y258 PolarHBondContact O-N 3.47Å; C256-Y258 WeakPolarHBondContact SG-CD2 3.34Å; C256-Y258 WeakPolarHBondContact SG-CE2 3.38Å; C256-N259 HydrophobicContact CB-CB 4.09Å; C256-N259 WeakPolarHBondContact O-CB 3.05Å; C256-N259 PolarHBondContact O-N 2.95Å
257P95.5Very high97.6Very high108 Ų10836 Ų3670%0.70120%0.201SC*.THydrogen-bonded Turntrans-70.5-26.5-174.125.8-31.6000113.3D255D255-P257 VanDerWaalsContact O-CD 3.22Å; D255-P257 WeakPolarHBondContact O-CD 3.4Å
258Y94.7Very high97.7Very high95 Ų9533.4 Ų33.437%0.37317%0.173SC..THydrogen-bonded Turntrans-100.418.8-179.247.6-98.4000112.2P237 S238 C239 C256 L260P237-Y258 HydrophobicContact CB-CD1 4.06Å; P237-Y258 HydrophobicContact CB-CD2 4Å; P237-Y258 HydrophobicContact CB-CE1 4.35Å; P237-Y258 HydrophobicContact CB-CE2 4.25Å; P237-Y258 HydrophobicContact CB-CG 3.92Å; P237-Y258 HydrophobicContact CG-CD1 4.39Å; P237-Y258 HydrophobicContact CG-CG 4.32Å; P237-Y258 WeakPolarHBondContact O-CD2 3.38Å; S238-Y258 WeakPolarHBondContact O-CE2 3.45Å; S238-Y258 PolarHBondContact O-OH 3.17Å; S238-Y258 VanDerWaalsContact O-OH 3.13Å; C239-Y258 HydrophobicContact CB-CE2 3.9Å; C239-Y258 VanDerWaalsContact N-CE2 3.31Å; C239-Y258 VanDerWaalsContact SG-CD2 3.59Å; C239-Y258 WeakPolarHBondContact SG-CE2 3.35Å; C256-Y258 VanDerWaalsContact C-N 3.31Å; C256-Y258 PolarHBondContact O-N 3.47Å; C256-Y258 WeakPolarHBondContact SG-CD2 3.34Å; C256-Y258 WeakPolarHBondContact SG-CE2 3.38Å; Y258-L260 PolarHBondContact O-N 3.46Å; Y258-L260 VanDerWaalsContact O-N 3.14Å
259N98.1Very high97.9Very high13 Ų1333.2 Ų33.27%0.0717%0.172CC..  trans-64.3113.3175.1-172-12.9000111.4C239 F253 C256 A261 N262C239-N259 VanDerWaalsContact SG-CA 3.5Å; F253-N259 WeakPolarHBondContact CD2-ND2 3.4Å; F253-N259 WeakPolarHBondContact CE1-ND2 3.19Å; F253-N259 VanDerWaalsContact CE2-ND2 3.3Å; F253-N259 WeakPolarHBondContact CE2-ND2 3.49Å; F253-N259 VanDerWaalsContact CZ-ND2 3.31Å; F253-N259 WeakPolarHBondContact CZ-ND2 3.34Å; F253-N259 PolarHBondContact O-ND2 3.44Å; C256-N259 HydrophobicContact CB-CB 4.09Å; C256-N259 WeakPolarHBondContact O-CB 3.05Å; C256-N259 PolarHBondContact O-N 2.95Å; N259-A261 PolarHBondContact O-N 2.96Å; N259-A261 WeakPolarHBondContact OD1-CB 3.22Å; N259-A261 PolarHBondContact OD1-N 3.4Å; N259-N262 WeakPolarHBondContact O-CB 3.37Å; N259-N262 PolarHBondContact O-N 3.18Å
260L98.3Very high98Very high40 Ų4031.1 Ų31.121%0.20916%0.157CC..THydrogen-bonded Turntrans-63.3-10.2178.3-69-178.7000114.3L236 Y258 R264 R267L236-L260 HydrophobicContact CD1-CD1 4.21Å; L236-L260 HydrophobicContact CD1-CD2 4.1Å; L236-L260 HydrophobicContact CD2-CD1 4.05Å; L236-L260 HydrophobicContact CD2-CD2 4.44Å; L236-L260 HydrophobicContact CD2-CG 4.32Å; L236-L260 HydrophobicContact CG-CD2 4.31Å; Y258-L260 PolarHBondContact O-N 3.46Å; Y258-L260 VanDerWaalsContact O-N 3.14Å; L260-R264 PolarHBondContact O-NH2 3.47Å; L260-R267 VanDerWaalsContact O-CZ 3.28Å; L260-R267 PolarHBondContact O-NH1 3.28Å; L260-R267 PolarHBondContact O-NH2 3.11Å
261A98.6Very high98.1Very high0 Ų031.1 Ų31.10%016%0.157CC..THydrogen-bonded Turntrans-65.9-28.9168.700000112.1R205 Y206 E209 F253 N259 N263 N356R205-A261 PolarHBondContact NH2-O 2.94Å; Y206-A261 HydrophobicContact CD2-CB 3.87Å; Y206-A261 HydrophobicContact CE2-CB 3.6Å; E209-A261 HydrophobicContact CG-CB 4.26Å; E209-A261 WeakPolarHBondContact OE1-CA 3.45Å; E209-A261 VanDerWaalsContact OE1-CB 3.29Å; E209-A261 WeakPolarHBondContact OE1-CB 3.41Å; F253-A261 HydrophobicContact CE1-CB 3.7Å; F253-A261 HydrophobicContact CZ-CB 3.45Å; F253-A261 VanDerWaalsContact CZ-CB 3.45Å; N259-A261 PolarHBondContact O-N 2.96Å; N259-A261 WeakPolarHBondContact OD1-CB 3.22Å; N259-A261 PolarHBondContact OD1-N 3.4Å; A261-N263 PolarHBondContact O-N 2.85Å; A261-N356 PolarHBondContact O-OD1 2.65Å
262N98.6Very high98.1Very high19 Ų1926.2 Ų26.210%0.10213%0.134CC..THydrogen-bonded Turntrans-65.6126.9178.4-62.5-18.5000109.8Y206 N259 R264 R267Y206-N262 VanDerWaalsContact CE2-OD1 3.22Å; Y206-N262 WeakPolarHBondContact CE2-OD1 3.3Å; Y206-N262 PolarHBondContact OH-OD1 3.37Å; N259-N262 WeakPolarHBondContact O-CB 3.37Å; N259-N262 PolarHBondContact O-N 3.18Å; N262-R264 PolarHBondContact O-N 2.95Å; N262-R264 VanDerWaalsContact O-N 3.07Å; N262-R267 PolarHBondContact O-NH1 3.4Å
263N98.8Very high98.2Very high9 Ų923 Ų235%0.04812%0.123CC..THydrogen-bonded Turntrans4936.8178.3-58.5-60.6000113.7A261 Q265 T266 R267 W289 L355 N356 R357 W358 D359A261-N263 PolarHBondContact O-N 2.85Å; N263-Q265 PolarHBondContact O-N 2.89Å; N263-T266 PolarHBondContact O-N 2.94Å; N263-R267 WeakPolarHBondContact O-CB 3.15Å; N263-R267 PolarHBondContact O-N 2.93Å; N263-W289 HydrophobicContact CB-CE3 4.27Å; N263-W289 HydrophobicContact CB-CH2 3.46Å; N263-W289 VanDerWaalsContact CB-CH2 3.46Å; N263-W289 HydrophobicContact CB-CZ2 4.19Å; N263-W289 HydrophobicContact CB-CZ3 3.49Å; N263-W289 VanDerWaalsContact CB-CZ3 3.49Å; N263-L355 PolarHBondContact ND2-O 2.86Å; N263-N356 PolarHBondContact N-OD1 2.72Å; N263-N356 VanDerWaalsContact N-OD1 3.11Å; N263-N356 WeakPolarHBondContact OD1-CA 3.38Å; N263-N356 PolarHBondContact OD1-O 2.92Å; N263-R357 PolarHBondContact OD1-N 3.31Å; N263-W358 HydrophobicContact CB-CB 4.34Å; N263-W358 WeakPolarHBondContact OD1-CB 3.3Å; N263-W358 PolarHBondContact OD1-N 2.94Å; N263-D359 VanDerWaalsContact CA-CG 3.5Å; N263-D359 VanDerWaalsContact CA-OD1 3.23Å; N263-D359 WeakPolarHBondContact CA-OD1 3.05Å; N263-D359 PolarHBondContact OD1-N 2.79Å
264R98.9Very high98.2Very high9 Ų926.7 Ų26.73%0.03414%0.143CC..Hα-helixtrans-59.7-43.9-174.1177.6177.2-72.6-72.4-2.4112.1I109 Q110 E209 L260 N262 T266 M268 D359I109-R264 HydrophobicContact CG2-CG 4.01Å; Q110-R264 VanDerWaalsContact CD-NH1 3.27Å; E209-R264 VanDerWaalsContact CD-NE 3.34Å; E209-R264 IonicContact OE1-CZ 3.69Å; E209-R264 VanDerWaalsContact OE1-CZ 3.31Å; E209-R264 IonicContact OE1-NE 3Å; E209-R264 PolarHBondContact OE1-NE 2.75Å; E209-R264 VanDerWaalsContact OE1-NE 3.11Å; E209-R264 IonicContact OE1-NH2 3.66Å; E209-R264 PolarHBondContact OE1-NH2 3.2Å; E209-R264 WeakPolarHBondContact OE2-CD 3.03Å; E209-R264 IonicContact OE2-CZ 2.88Å; E209-R264 IonicContact OE2-NE 2.8Å; E209-R264 PolarHBondContact OE2-NE 3.05Å; E209-R264 IonicContact OE2-NH2 2.65Å; L260-R264 PolarHBondContact O-NH2 3.47Å; N262-R264 PolarHBondContact O-N 2.95Å; N262-R264 VanDerWaalsContact O-N 3.07Å; R264-T266 VanDerWaalsContact C-N 3.35Å; R264-M268 HydrophobicContact CG-CG 4.15Å; R264-M268 HydrophobicContact CG-SD 3.55Å; R264-M268 VanDerWaalsContact CG-SD 3.55Å; R264-M268 VanDerWaalsContact O-CB 3.29Å; R264-M268 WeakPolarHBondContact O-CB 3.44Å; R264-M268 VanDerWaalsContact O-CG 3.27Å; R264-M268 WeakPolarHBondContact O-CG 3.23Å; R264-M268 PolarHBondContact O-N 2.87Å; R264-D359 PolarHBondContact N-OD2 3.11Å
265Q98.9Very high98.1Very high2 Ų226.4 Ų26.41%0.00914%0.141CC..Hα-helixtrans-66.2-42.1-176.3-65.1175.4109.800110.8I109 L199 R200 N263 M268 L269 D359 L362I109-Q265 HydrophobicContact CD1-CB 4.4Å; I109-Q265 HydrophobicContact CD1-CG 4.33Å; I109-Q265 HydrophobicContact CG2-CG 4.08Å; L199-Q265 HydrophobicContact CD2-CB 4.24Å; L199-Q265 HydrophobicContact CD2-CG 4.17Å; R200-Q265 PolarHBondContact O-NE2 3.32Å; R200-Q265 PolarHBondContact O-OE1 3.29Å; N263-Q265 PolarHBondContact O-N 2.89Å; Q265-M268 PolarHBondContact O-N 3.04Å; Q265-L269 VanDerWaalsContact O-CB 3.31Å; Q265-L269 WeakPolarHBondContact O-CB 3.31Å; Q265-L269 VanDerWaalsContact O-CG 3.28Å; Q265-L269 WeakPolarHBondContact O-CG 3.27Å; Q265-L269 PolarHBondContact O-N 3.4Å; Q265-L269 VanDerWaalsContact O-N 3.08Å; Q265-D359 WeakPolarHBondContact CB-OD2 3.34Å; Q265-D359 PolarHBondContact N-OD1 3.08Å; Q265-D359 VanDerWaalsContact N-OD1 3.11Å; Q265-D359 PolarHBondContact N-OD2 2.75Å; Q265-D359 PolarHBondContact NE2-OD2 3.18Å; Q265-L362 HydrophobicContact CB-CD2 4.12Å
266T98.9Very high98.1Very high0 Ų023.9 Ų23.90%014%0.135CC..Hα-helixtrans-62.2-52.9176.4-51.80000110.8N263 R264 M268 L269 A270 W289 L292 L293 A296 W358 D359N263-T266 PolarHBondContact O-N 2.94Å; R264-T266 VanDerWaalsContact C-N 3.35Å; T266-M268 VanDerWaalsContact C-N 3.33Å; T266-M268 PolarHBondContact O-N 3.32Å; T266-L269 PolarHBondContact O-N 2.97Å; T266-A270 WeakPolarHBondContact O-CB 3.36Å; T266-A270 PolarHBondContact O-N 2.95Å; T266-W289 HydrophobicContact CG2-CE3 4.48Å; T266-W289 HydrophobicContact CG2-CZ3 4.42Å; T266-L292 HydrophobicContact CG2-CB 4.37Å; T266-L293 HydrophobicContact CG2-CB 4.3Å; T266-L293 HydrophobicContact CG2-CD1 4.2Å; T266-A296 HydrophobicContact CG2-CB 4.1Å; T266-W358 HydrophobicContact CG2-CB 4.25Å; T266-W358 VanDerWaalsContact OG1-C 3.29Å; T266-W358 PolarHBondContact OG1-O 3.03Å; T266-D359 WeakPolarHBondContact CB-OD1 3.43Å; T266-D359 PolarHBondContact N-OD1 2.7Å; T266-D359 WeakPolarHBondContact OG1-CA 3.41Å; T266-D359 PolarHBondContact OG1-N 3.38Å; T266-D359 PolarHBondContact OG1-OD1 2.79Å
267R98.8Very high98.1Very high19 Ų1923.8 Ų23.87%0.07213%0.134CC..Hα-helixtrans-57.9-44.9178.7-174.1-174.464.9-109-2111.9L260 N262 N263 L269 L272 W289L260-R267 VanDerWaalsContact O-CZ 3.28Å; L260-R267 PolarHBondContact O-NH1 3.28Å; L260-R267 PolarHBondContact O-NH2 3.11Å; N262-R267 PolarHBondContact O-NH1 3.4Å; N263-R267 WeakPolarHBondContact O-CB 3.15Å; N263-R267 PolarHBondContact O-N 2.93Å; R267-L269 VanDerWaalsContact C-N 3.31Å; R267-L269 PolarHBondContact O-N 2.83Å; R267-L272 HydrophobicContact CG-CD1 4.37Å; R267-L272 HydrophobicContact CG-CD2 3.88Å; R267-W289 HydrophobicContact CB-CH2 4.49Å
268M98.9Very high98.1Very high4 Ų419.5 Ų19.52%0.0210%0.104CC..Hα-helixtrans-77.9-13.3-175.1-69.3-17668.700114.5I109 Q110 H165 D167 W168 R264 Q265 T266I109-M268 HydrophobicContact CB-SD 4.46Å; I109-M268 HydrophobicContact CG1-CB 4.24Å; I109-M268 HydrophobicContact CG1-CE 4.35Å; I109-M268 HydrophobicContact CG1-SD 4.41Å; I109-M268 HydrophobicContact CG2-SD 3.93Å; Q110-M268 PolarHBondContact OE1-SD 3.5Å; H165-M268 HydrophobicContact CB-CE 4.33Å; H165-M268 WeakPolarHBondContact O-CE 3.45Å; D167-M268 HydrophobicContact CB-CB 3.85Å; D167-M268 HydrophobicContact CB-CE 4.13Å; D167-M268 HydrophobicContact CB-CG 3.98Å; D167-M268 WeakPolarHBondContact CB-O 3.45Å; W168-M268 WeakPolarHBondContact CB-O 3.46Å; W168-M268 PolarHBondContact N-O 3.26Å; R264-M268 HydrophobicContact CG-CG 4.15Å; R264-M268 HydrophobicContact CG-SD 3.55Å; R264-M268 VanDerWaalsContact CG-SD 3.55Å; R264-M268 VanDerWaalsContact O-CB 3.29Å; R264-M268 WeakPolarHBondContact O-CB 3.44Å; R264-M268 VanDerWaalsContact O-CG 3.27Å; R264-M268 WeakPolarHBondContact O-CG 3.23Å; R264-M268 PolarHBondContact O-N 2.87Å; Q265-M268 PolarHBondContact O-N 3.04Å; T266-M268 VanDerWaalsContact C-N 3.33Å; T266-M268 PolarHBondContact O-N 3.32Å
269L98.9Very high98.1Very high0 Ų018.2 Ų18.20%010%0.104CC..Hα-helixtrans-100.4-18.5175.8-72.9172.8000113.2L107 I109 T197 L199 Q265 T266 R267 A296 N299 L300 M303 L362L107-L269 HydrophobicContact CD1-CD2 4.11Å; I109-L269 HydrophobicContact CD1-CD1 4.21Å; I109-L269 HydrophobicContact CD1-CD2 4.25Å; I109-L269 HydrophobicContact CD1-CG 3.97Å; T197-L269 HydrophobicContact CG2-CD2 4.16Å; L199-L269 HydrophobicContact CD1-CD1 4.46Å; L199-L269 HydrophobicContact CD2-CD1 3.81Å; Q265-L269 VanDerWaalsContact O-CB 3.31Å; Q265-L269 WeakPolarHBondContact O-CB 3.31Å; Q265-L269 VanDerWaalsContact O-CG 3.28Å; Q265-L269 WeakPolarHBondContact O-CG 3.27Å; Q265-L269 PolarHBondContact O-N 3.4Å; Q265-L269 VanDerWaalsContact O-N 3.08Å; T266-L269 PolarHBondContact O-N 2.97Å; R267-L269 VanDerWaalsContact C-N 3.31Å; R267-L269 PolarHBondContact O-N 2.83Å; L269-A296 HydrophobicContact CB-CB 3.86Å; L269-N299 WeakPolarHBondContact O-CB 3.48Å; L269-N299 PolarHBondContact O-ND2 2.83Å; L269-L300 HydrophobicContact CD1-CB 4.45Å; L269-L300 HydrophobicContact CD1-CD1 4.11Å; L269-M303 HydrophobicContact CD2-CE 3.49Å; L269-M303 VanDerWaalsContact CD2-CE 3.49Å; L269-M303 HydrophobicContact CD2-SD 4.45Å; L269-L362 HydrophobicContact CD1-CD2 3.91Å
270A98.9Very high97.8Very high0 Ų022.2 Ų22.20%013%0.129CC..SBendtrans-77.8155.4178.600000112.1T169 T266 L272 L292 A296T169-A270 PolarHBondContact OG1-O 3.21Å; T169-A270 VanDerWaalsContact OG1-O 3.09Å; T266-A270 WeakPolarHBondContact O-CB 3.36Å; T266-A270 PolarHBondContact O-N 2.95Å; A270-L272 HydrophobicContact CB-CD2 4.47Å; A270-L272 PolarHBondContact O-N 2.87Å; A270-L292 HydrophobicContact CB-CB 4.16Å; A270-L292 HydrophobicContact CB-CD2 3.57Å; A270-L292 HydrophobicContact CB-CG 4.5Å; A270-L292 WeakPolarHBondContact CB-O 3.4Å; A270-A296 HydrophobicContact CB-CB 4.31Å
271D98.7Very high97.5Very high26 Ų2625.5 Ų25.514%0.13916%0.155CC..  trans-75109.9157.5-169.4-16000109.7W168 S273 L274 S295W168-D271 HydrophobicContact CE3-CB 3.82Å; W168-D271 HydrophobicContact CH2-CB 3.77Å; W168-D271 VanDerWaalsContact CZ3-CA 3.43Å; W168-D271 HydrophobicContact CZ3-CB 3.19Å; D271-S273 VanDerWaalsContact C-N 3.31Å; D271-S273 VanDerWaalsContact CG-OG 3.24Å; D271-S273 WeakPolarHBondContact OD1-CB 3.41Å; D271-S273 PolarHBondContact OD1-N 2.94Å; D271-S273 PolarHBondContact OD1-OG 3.23Å; D271-S273 PolarHBondContact OD2-OG 3.01Å; D271-L274 HydrophobicContact CB-CD1 3.84Å; D271-L274 HydrophobicContact CB-CG 3.86Å; D271-S295 WeakPolarHBondContact CB-OG 3.28Å; D271-S295 PolarHBondContact N-OG 3.36Å
272L98.5Very high97.1Very high1 Ų128.1 Ų28.11%0.00518%0.177CC..SBendtrans-76.5-19.2-179-59.9-175.4000112.6T169 R267 A270 L274 V275 C277 Y278 L292T169-L272 HydrophobicContact CG2-CB 4.46Å; T169-L272 PolarHBondContact OG1-N 2.86Å; R267-L272 HydrophobicContact CG-CD1 4.37Å; R267-L272 HydrophobicContact CG-CD2 3.88Å; A270-L272 HydrophobicContact CB-CD2 4.47Å; A270-L272 PolarHBondContact O-N 2.87Å; L272-L274 PolarHBondContact O-N 3.44Å; L272-V275 VanDerWaalsContact O-CG2 3.28Å; L272-V275 WeakPolarHBondContact O-CG2 3.34Å; L272-V275 PolarHBondContact O-N 3.27Å; L272-C277 VanDerWaalsContact O-CA 3.32Å; L272-C277 WeakPolarHBondContact O-CA 3.37Å; L272-C277 PolarHBondContact O-N 3.05Å; L272-Y278 HydrophobicContact CD1-CE1 4.3Å; L272-Y278 HydrophobicContact CD1-CE2 4.02Å; L272-Y278 WeakPolarHBondContact CD1-OH 3.49Å; L272-L292 HydrophobicContact CD2-CD2 3.57Å
273S97.9Very high96.9Very high37 Ų3729.7 Ų29.726%0.25918%0.184SC..G310 helixtrans-63.3-31.2177.971.10000111.6D227 D271 V275 G276D227-S273 VanDerWaalsContact OD1-CB 3.27Å; D227-S273 WeakPolarHBondContact OD1-CB 3.39Å; D271-S273 VanDerWaalsContact C-N 3.31Å; D271-S273 VanDerWaalsContact CG-OG 3.24Å; D271-S273 WeakPolarHBondContact OD1-CB 3.41Å; D271-S273 PolarHBondContact OD1-N 2.94Å; D271-S273 PolarHBondContact OD1-OG 3.23Å; D271-S273 PolarHBondContact OD2-OG 3.01Å; S273-V275 PolarHBondContact O-N 3.23Å; S273-G276 PolarHBondContact O-N 3.27Å; S273-G276 VanDerWaalsContact O-N 3.13Å
274L98Very high96.8Very high78 Ų7831.3 Ų31.341%0.40820%0.202SC..G310 helixtrans-59.4-19.3178.3-61.3179.6000114.1D271 L272 V291 S295D271-L274 HydrophobicContact CB-CD1 3.84Å; D271-L274 HydrophobicContact CB-CG 3.86Å; L272-L274 PolarHBondContact O-N 3.44Å; L274-V291 HydrophobicContact CB-CG1 3.87Å; L274-V291 HydrophobicContact CD1-CG1 4.36Å; L274-S295 WeakPolarHBondContact CD1-OG 3.31Å
275V97.5Very high96.6Very high1 Ų137.3 Ų37.31%0.00623%0.231CC..G310 helixtrans-12219-177.1-61.20000112.7L272 S273 M283 R288 V291 L292L272-V275 VanDerWaalsContact O-CG2 3.28Å; L272-V275 WeakPolarHBondContact O-CG2 3.34Å; L272-V275 PolarHBondContact O-N 3.27Å; S273-V275 PolarHBondContact O-N 3.23Å; V275-M283 HydrophobicContact CB-SD 3.86Å; V275-M283 HydrophobicContact CG1-CE 4.46Å; V275-M283 HydrophobicContact CG1-SD 3.72Å; V275-R288 HydrophobicContact CB-CG 4Å; V275-R288 HydrophobicContact CG1-CG 4.11Å; V275-R288 HydrophobicContact CG2-CG 4.32Å; V275-R288 PolarHBondContact O-NH1 3.44Å; V275-V291 HydrophobicContact CG1-CB 3.85Å; V275-V291 HydrophobicContact CG1-CG1 3.67Å; V275-L292 HydrophobicContact CG1-CD2 4.2Å; V275-L292 HydrophobicContact CG1-CG 4.08Å; V275-L292 HydrophobicContact CG2-CD1 4.37Å; V275-L292 HydrophobicContact CG2-CD2 3.69Å; V275-L292 HydrophobicContact CG2-CG 4.1Å
276G96.8Very high96.4Very high31 Ų3141.7 Ų41.732%0.3226%0.255SS..THydrogen-bonded Turntrans70.437.9-177.500000113.1S273 Y278 N279S273-G276 PolarHBondContact O-N 3.27Å; S273-G276 VanDerWaalsContact O-N 3.13Å; G276-Y278 PolarHBondContact O-N 3.26Å; G276-N279 WeakPolarHBondContact O-CB 3.42Å; G276-N279 PolarHBondContact O-N 3.46Å; G276-N279 VanDerWaalsContact O-N 3.12Å
277C97.4Very high96.3Very high7 Ų747.5 Ų47.55%0.04728%0.282CS..THydrogen-bonded Turntrans54.9-131.5178.4-61.50000111.8C226 D227 L272 N279 R288C226-C277 HydrophobicContact CB-CB 3.57Å; C226-C277 WeakPolarHBondContact CB-SG 3.47Å; C226-C277 WeakPolarHBondContact SG-CA 3.4Å; C226-C277 WeakPolarHBondContact SG-CB 3.29Å; C226-C277 CovalentContact SG-SG 2.03Å; C226-C277 PolarHBondContact SG-SG 3.07Å; D227-C277 PolarHBondContact OD2-SG 3.37Å; D227-C277 VanDerWaalsContact OD2-SG 3.33Å; L272-C277 VanDerWaalsContact O-CA 3.32Å; L272-C277 WeakPolarHBondContact O-CA 3.37Å; L272-C277 PolarHBondContact O-N 3.05Å; C277-N279 VanDerWaalsContact C-N 3.3Å; C277-N279 PolarHBondContact O-N 3.15Å; C277-R288 VanDerWaalsContact O-CZ 3.32Å; C277-R288 PolarHBondContact O-NH1 2.05Å; C277-R288 VanDerWaalsContact O-NH1 3.1Å; C277-R288 PolarHBondContact O-NH2 3.46Å
278Y96.6Very high96.2Very high18 Ų1847.6 Ų47.67%0.07128%0.282CS..THydrogen-bonded Turntrans-85.44.7-179.3-64.1-86.7000113.8H224 C226 P231 L236 L272 G276 V280H224-Y278 HydrophobicContact CB-CE2 3.78Å; H224-Y278 WeakPolarHBondContact CB-OH 3.41Å; H224-Y278 PolarHBondContact ND1-OH 3.13Å; H224-Y278 VanDerWaalsContact O-CE2 3.27Å; H224-Y278 WeakPolarHBondContact O-CE2 3.46Å; C226-Y278 HydrophobicContact CB-CE2 4.43Å; P231-Y278 HydrophobicContact CB-CD2 3.85Å; P231-Y278 HydrophobicContact CB-CG 3.96Å; P231-Y278 HydrophobicContact CG-CD2 3.94Å; P231-Y278 HydrophobicContact CG-CE2 4.26Å; P231-Y278 HydrophobicContact CG-CG 4.27Å; L236-Y278 HydrophobicContact CD1-CD1 3.86Å; L236-Y278 HydrophobicContact CD1-CE1 3.8Å; L272-Y278 HydrophobicContact CD1-CE1 4.3Å; L272-Y278 HydrophobicContact CD1-CE2 4.02Å; L272-Y278 WeakPolarHBondContact CD1-OH 3.49Å; G276-Y278 PolarHBondContact O-N 3.26Å; Y278-V280 PolarHBondContact O-N 3.41Å
279N94.9Very high96.2Very high68 Ų6849.1 Ų49.136%0.36429%0.288SS..  trans-76.794174.6-177.64.9000110.6G276 C277 S281 A282G276-N279 WeakPolarHBondContact O-CB 3.42Å; G276-N279 PolarHBondContact O-N 3.46Å; G276-N279 VanDerWaalsContact O-N 3.12Å; C277-N279 VanDerWaalsContact C-N 3.3Å; C277-N279 PolarHBondContact O-N 3.15Å; N279-S281 PolarHBondContact O-N 2.96Å; N279-S281 WeakPolarHBondContact OD1-CB 3.32Å; N279-S281 PolarHBondContact OD1-N 2.83Å; N279-A282 WeakPolarHBondContact O-CB 3.37Å; N279-A282 PolarHBondContact O-N 3.07Å
280V91.3Very high96.1Very high98 Ų9851.1 Ų51.159%0.59430%0.304SS*.G310 helixtrans-67.2-13.5179.1-61.80000113.9Y278 A282Y278-V280 PolarHBondContact O-N 3.41Å; V280-A282 VanDerWaalsContact C-N 3.31Å
281S92.4Very high96.1Very high108 Ų10853.3 Ų53.376%0.75532%0.317SS*.G310 helixtrans-84.5-5.3178.7-54.70000113.3N279 M283N279-S281 PolarHBondContact O-N 2.96Å; N279-S281 WeakPolarHBondContact OD1-CB 3.32Å; N279-S281 PolarHBondContact OD1-N 2.83Å; S281-M283 VanDerWaalsContact C-N 3.32Å; S281-M283 PolarHBondContact O-N 3.11Å
282A89.2Confident96.1Very high55 Ų5552.1 Ų52.146%0.45531%0.311SS..G310 helixtrans-70.7-25.9-176.200000113.7N279 V280N279-A282 WeakPolarHBondContact O-CB 3.37Å; N279-A282 PolarHBondContact O-N 3.07Å; V280-A282 VanDerWaalsContact C-N 3.31Å
283M94.6Very high96.1Very high53 Ų5352.3 Ų52.326%0.26131%0.312SS..SBendtrans-162.6166.2-177.950.1174.657.300110.8V275 S281 R288V275-M283 HydrophobicContact CB-SD 3.86Å; V275-M283 HydrophobicContact CG1-CE 4.46Å; V275-M283 HydrophobicContact CG1-SD 3.72Å; S281-M283 VanDerWaalsContact C-N 3.32Å; S281-M283 PolarHBondContact O-N 3.11Å; M283-R288 HydrophobicContact CG-CB 3.89Å; M283-R288 HydrophobicContact CG-CG 4.4Å; M283-R288 VanDerWaalsContact SD-CA 3.54Å; M283-R288 HydrophobicContact SD-CB 3.83Å; M283-R288 HydrophobicContact SD-CG 4.26Å
284G96.4Very high96.2Very high42 Ų4254.9 Ų54.943%0.43332%0.323SS..  trans-63.1149179.500000112.7D286 E287 R288G284-D286 PolarHBondContact O-N 2.9Å; G284-E287 PolarHBondContact O-N 3.3Å; G284-R288 WeakPolarHBondContact O-CB 3.32Å; G284-R288 PolarHBondContact O-N 3.41Å
285E94.2Very high96.2Very high135 Ų13551.2 Ų51.263%0.63130%0.303SS*.Hα-helixtrans-59.2-47.4-174.2-179.4178.2-178.600113.1R288 W289E285-R288 WeakPolarHBondContact O-CB 3.43Å; E285-R288 PolarHBondContact O-N 3.42Å; E285-W289 PolarHBondContact O-N 3.06Å
286D94.8Very high96.3Very high95 Ų9551.1 Ų51.151%0.50830%0.303SS..Hα-helixtrans-66.9-40.7-179.3-74.9-40.4000112.1G284 W289 A290 R357G284-D286 PolarHBondContact O-N 2.9Å; D286-W289 PolarHBondContact O-N 3.31Å; D286-A290 WeakPolarHBondContact O-CB 3.38Å; D286-A290 PolarHBondContact O-N 3.04Å; D286-R357 IonicContact OD1-CZ 2.7Å; D286-R357 VanDerWaalsContact OD1-CZ 3.28Å; D286-R357 IonicContact OD1-NH1 2.79Å; D286-R357 PolarHBondContact OD1-NH1 2.92Å; D286-R357 IonicContact OD1-NH2 3.11Å; D286-R357 PolarHBondContact OD1-NH2 3.29Å
287E96.8Very high96.4Very high121 Ų12150.8 Ų50.857%0.56529%0.293SS*.Hα-helixtrans-62-47.9175.4-179.1-178.8-166.800110.9G284 W289 A290 V291G284-E287 PolarHBondContact O-N 3.3Å; E287-W289 VanDerWaalsContact C-N 3.33Å; E287-W289 PolarHBondContact O-N 3.16Å; E287-A290 PolarHBondContact O-N 3.36Å; E287-V291 WeakPolarHBondContact O-CG2 3.15Å; E287-V291 PolarHBondContact O-N 2.94Å
288R97.7Very high96.4Very high22 Ų2257 Ų578%0.08332%0.315CS..Hα-helixtrans-52.9-51.5175.8178.9175.6172.486.610.5111.5V275 C277 M283 G284 E285 V291 L292V275-R288 HydrophobicContact CB-CG 4Å; V275-R288 HydrophobicContact CG1-CG 4.11Å; V275-R288 HydrophobicContact CG2-CG 4.32Å; V275-R288 PolarHBondContact O-NH1 3.44Å; C277-R288 VanDerWaalsContact O-CZ 3.32Å; C277-R288 PolarHBondContact O-NH1 2.05Å; C277-R288 VanDerWaalsContact O-NH1 3.1Å; C277-R288 PolarHBondContact O-NH2 3.46Å; M283-R288 HydrophobicContact CG-CB 3.89Å; M283-R288 HydrophobicContact CG-CG 4.4Å; M283-R288 VanDerWaalsContact SD-CA 3.54Å; M283-R288 HydrophobicContact SD-CB 3.83Å; M283-R288 HydrophobicContact SD-CG 4.26Å; G284-R288 WeakPolarHBondContact O-CB 3.32Å; G284-R288 PolarHBondContact O-N 3.41Å; E285-R288 WeakPolarHBondContact O-CB 3.43Å; E285-R288 PolarHBondContact O-N 3.42Å; R288-V291 PolarHBondContact O-N 3Å; R288-L292 HydrophobicContact CG-CD1 4.24Å; R288-L292 WeakPolarHBondContact O-CG 3.26Å; R288-L292 PolarHBondContact O-N 2.67Å
289W97.9Very high96.5Very high36 Ų3657.3 Ų57.314%0.13632%0.318CS..Hα-helixtrans-71.6-31.1-177.7-79.1114.2000113.5N263 T266 R267 E285 D286 E287 L292 L293 W358N263-W289 HydrophobicContact CB-CE3 4.27Å; N263-W289 HydrophobicContact CB-CH2 3.46Å; N263-W289 VanDerWaalsContact CB-CH2 3.46Å; N263-W289 HydrophobicContact CB-CZ2 4.19Å; N263-W289 HydrophobicContact CB-CZ3 3.49Å; N263-W289 VanDerWaalsContact CB-CZ3 3.49Å; T266-W289 HydrophobicContact CG2-CE3 4.48Å; T266-W289 HydrophobicContact CG2-CZ3 4.42Å; R267-W289 HydrophobicContact CB-CH2 4.49Å; E285-W289 PolarHBondContact O-N 3.06Å; D286-W289 PolarHBondContact O-N 3.31Å; E287-W289 VanDerWaalsContact C-N 3.33Å; E287-W289 PolarHBondContact O-N 3.16Å; W289-L292 HydrophobicContact CD2-CD1 4.2Å; W289-L292 HydrophobicContact CE3-CB 4.24Å; W289-L292 HydrophobicContact CE3-CD1 3.7Å; W289-L292 HydrophobicContact CH2-CD1 4.48Å; W289-L292 HydrophobicContact CZ3-CD1 3.86Å; W289-L292 PolarHBondContact O-N 3.06Å; W289-L293 WeakPolarHBondContact O-CB 3.46Å; W289-L293 PolarHBondContact O-N 3.13Å; W289-W358 HydrophobicContact CB-CD2 3.81Å; W289-W358 HydrophobicContact CB-CG 4.05Å; W289-W358 HydrophobicContact CB-CH2 4.32Å; W289-W358 HydrophobicContact CB-CZ2 3.48Å; W289-W358 VanDerWaalsContact CB-CZ2 3.48Å; W289-W358 AromaticContact CD1-NE1 3.48Å; W289-W358 AromaticContact CD2-CD1 3.41Å; W289-W358 VanDerWaalsContact CD2-CD1 3.41Å; W289-W358 HydrophobicContact CD2-CG 4.23Å; W289-W358 AromaticContact CD2-NE1 3.65Å; W289-W358 HydrophobicContact CE3-CB 4.33Å; W289-W358 AromaticContact CE3-CD1 3.62Å; W289-W358 HydrophobicContact CE3-CG 4.08Å; W289-W358 AromaticContact CG-CD1 3.42Å; W289-W358 VanDerWaalsContact CG-CD1 3.42Å; W289-W358 HydrophobicContact CG-CD2 4.45Å; W289-W358 AromaticContact CG-CE2 3.78Å; W289-W358 HydrophobicContact CG-CG 4.25Å; W289-W358 HydrophobicContact CG-CZ2 4.37Å; W289-W358 AromaticContact CG-NE1 3.09Å
290A98Very high96.7Very high41 Ų4154 Ų5434%0.33930%0.301SS..Hα-helixtrans-61.3-46.1172.100000111.1D286 E287 L292 L293 D294D286-A290 WeakPolarHBondContact O-CB 3.38Å; D286-A290 PolarHBondContact O-N 3.04Å; E287-A290 PolarHBondContact O-N 3.36Å; A290-L292 PolarHBondContact O-N 2.94Å; A290-L293 PolarHBondContact O-N 3.41Å; A290-D294 PolarHBondContact O-N 2.95Å
291V98.5Very high97.1Very high47 Ų4752.2 Ų52.229%0.28529%0.285SS..Hα-helixtrans-60.8-44.6175.3174.80000111.3L274 V275 E287 R288 D294 S295L274-V291 HydrophobicContact CB-CG1 3.87Å; L274-V291 HydrophobicContact CD1-CG1 4.36Å; V275-V291 HydrophobicContact CG1-CB 3.85Å; V275-V291 HydrophobicContact CG1-CG1 3.67Å; E287-V291 WeakPolarHBondContact O-CG2 3.15Å; E287-V291 PolarHBondContact O-N 2.94Å; R288-V291 PolarHBondContact O-N 3Å; V291-D294 PolarHBondContact O-N 3.03Å; V291-S295 VanDerWaalsContact O-CB 3.29Å; V291-S295 WeakPolarHBondContact O-CB 3.46Å; V291-S295 PolarHBondContact O-N 3.29Å
292L98.8Very high97.3Very high1 Ų149.8 Ų49.81%0.00528%0.277CS..Hα-helixtrans-62.5-42.8177.2-71.7175.1000112.1T266 A270 L272 V275 R288 W289 A290 S295 A296T266-L292 HydrophobicContact CG2-CB 4.37Å; A270-L292 HydrophobicContact CB-CB 4.16Å; A270-L292 HydrophobicContact CB-CD2 3.57Å; A270-L292 HydrophobicContact CB-CG 4.5Å; A270-L292 WeakPolarHBondContact CB-O 3.4Å; L272-L292 HydrophobicContact CD2-CD2 3.57Å; V275-L292 HydrophobicContact CG1-CD2 4.2Å; V275-L292 HydrophobicContact CG1-CG 4.08Å; V275-L292 HydrophobicContact CG2-CD1 4.37Å; V275-L292 HydrophobicContact CG2-CD2 3.69Å; V275-L292 HydrophobicContact CG2-CG 4.1Å; R288-L292 HydrophobicContact CG-CD1 4.24Å; R288-L292 WeakPolarHBondContact O-CG 3.26Å; R288-L292 PolarHBondContact O-N 2.67Å; W289-L292 HydrophobicContact CD2-CD1 4.2Å; W289-L292 HydrophobicContact CE3-CB 4.24Å; W289-L292 HydrophobicContact CE3-CD1 3.7Å; W289-L292 HydrophobicContact CH2-CD1 4.48Å; W289-L292 HydrophobicContact CZ3-CD1 3.86Å; W289-L292 PolarHBondContact O-N 3.06Å; A290-L292 PolarHBondContact O-N 2.94Å; L292-S295 PolarHBondContact O-N 3.46Å; L292-A296 WeakPolarHBondContact O-CB 3.27Å; L292-A296 PolarHBondContact O-N 3.38Å
293L98.9Very high97.8Very high4 Ų447.5 Ų47.52%0.02126%0.257CS..Hα-helixtrans-63.8-46.5178.6-18067.1000111.6T266 W289 A290 S295 A296 K297 W358 E361 L362T266-L293 HydrophobicContact CG2-CB 4.3Å; T266-L293 HydrophobicContact CG2-CD1 4.2Å; W289-L293 WeakPolarHBondContact O-CB 3.46Å; W289-L293 PolarHBondContact O-N 3.13Å; A290-L293 PolarHBondContact O-N 3.41Å; L293-S295 VanDerWaalsContact C-N 3.3Å; L293-S295 PolarHBondContact O-N 3.22Å; L293-A296 PolarHBondContact O-N 3.42Å; L293-K297 HydrophobicContact CD1-CD 4.49Å; L293-K297 HydrophobicContact CD1-CG 4.36Å; L293-K297 HydrophobicContact CG-CD 4.2Å; L293-K297 HydrophobicContact CG-CG 4.47Å; L293-K297 WeakPolarHBondContact O-CB 3.46Å; L293-K297 WeakPolarHBondContact O-CG 3.32Å; L293-K297 PolarHBondContact O-N 2.95Å; L293-W358 HydrophobicContact CB-CE3 4.44Å; L293-W358 HydrophobicContact CD2-CE3 3.94Å; L293-W358 HydrophobicContact CD2-CZ3 4.26Å; L293-E361 HydrophobicContact CD1-CB 4.5Å; L293-E361 HydrophobicContact CD2-CB 4.07Å; L293-E361 HydrophobicContact CD2-CG 3.94Å; L293-E361 VanDerWaalsContact CD2-OE1 3.22Å; L293-E361 WeakPolarHBondContact CD2-OE1 3.24Å; L293-E361 WeakPolarHBondContact CD2-OE2 3.3Å; L293-L362 HydrophobicContact CD1-CB 3.76Å; L293-L362 HydrophobicContact CD1-CD1 4.49Å
294D98.8Very high97.9Very high92 Ų9245.5 Ų45.549%0.49225%0.249SC..Hα-helixtrans-63-39.8178.2-80.9-9.9000111.5A290 V291 R298A290-D294 PolarHBondContact O-N 2.95Å; V291-D294 PolarHBondContact O-N 3.03Å; D294-R298 VanDerWaalsContact O-CB 3.28Å; D294-R298 WeakPolarHBondContact O-CB 3.23Å; D294-R298 PolarHBondContact O-N 3.4Å
295S98.9Very high98Very high0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-61.2-49.7172.7-168.10000111.6D271 L274 V291 L292 L293 K297 R298 N299D271-S295 WeakPolarHBondContact CB-OG 3.28Å; D271-S295 PolarHBondContact N-OG 3.36Å; L274-S295 WeakPolarHBondContact CD1-OG 3.31Å; V291-S295 VanDerWaalsContact O-CB 3.29Å; V291-S295 WeakPolarHBondContact O-CB 3.46Å; V291-S295 PolarHBondContact O-N 3.29Å; L292-S295 PolarHBondContact O-N 3.46Å; L293-S295 VanDerWaalsContact C-N 3.3Å; L293-S295 PolarHBondContact O-N 3.22Å; S295-K297 PolarHBondContact O-N 3.4Å; S295-R298 PolarHBondContact O-N 3.45Å; S295-N299 WeakPolarHBondContact O-CB 3.16Å; S295-N299 PolarHBondContact O-N 3.02Å; S295-N299 PolarHBondContact O-ND2 2.84Å
296A98.9Very high98.3Very high0 Ų037.3 Ų37.30%020%0.199CC..Hα-helixtrans-60.9-44.4178.700000112.7T266 L269 A270 L292 L293 N299 L300 L362T266-A296 HydrophobicContact CG2-CB 4.1Å; L269-A296 HydrophobicContact CB-CB 3.86Å; A270-A296 HydrophobicContact CB-CB 4.31Å; L292-A296 WeakPolarHBondContact O-CB 3.27Å; L292-A296 PolarHBondContact O-N 3.38Å; L293-A296 PolarHBondContact O-N 3.42Å; A296-N299 PolarHBondContact O-N 2.98Å; A296-L300 WeakPolarHBondContact O-CB 3.29Å; A296-L300 PolarHBondContact O-N 3.36Å; A296-L362 HydrophobicContact CB-CD1 4.09Å; A296-L362 HydrophobicContact CB-CD2 4.16Å
297K98.9Very high98.5Very high24 Ų2432.8 Ų32.810%0.10418%0.175CC..Hα-helixtrans-60.4-45.8175.3-74.3175.1-179164.90111L293 S295 K301 E361 L362 Y365L293-K297 HydrophobicContact CD1-CD 4.49Å; L293-K297 HydrophobicContact CD1-CG 4.36Å; L293-K297 HydrophobicContact CG-CD 4.2Å; L293-K297 HydrophobicContact CG-CG 4.47Å; L293-K297 WeakPolarHBondContact O-CB 3.46Å; L293-K297 WeakPolarHBondContact O-CG 3.32Å; L293-K297 PolarHBondContact O-N 2.95Å; S295-K297 PolarHBondContact O-N 3.4Å; K297-K301 WeakPolarHBondContact O-CB 3.47Å; K297-K301 PolarHBondContact O-N 3.03Å; K297-E361 IonicContact NZ-OE1 3.73Å; K297-E361 PolarHBondContact NZ-OE1 3.4Å; K297-L362 HydrophobicContact CG-CD1 3.93Å; K297-Y365 HydrophobicContact CB-CD1 4.16Å; K297-Y365 HydrophobicContact CB-CE1 3.88Å; K297-Y365 HydrophobicContact CD-CD1 4.41Å; K297-Y365 HydrophobicContact CD-CD2 4.16Å; K297-Y365 HydrophobicContact CD-CE2 4.41Å; K297-Y365 HydrophobicContact CD-CG 4.14Å; K297-Y365 HydrophobicContact CG-CD1 3.8Å; K297-Y365 HydrophobicContact CG-CD2 4.43Å; K297-Y365 HydrophobicContact CG-CE1 4.04Å; K297-Y365 HydrophobicContact CG-CG 3.99Å
298R98.8Very high98.5Very high137 Ų13727 Ų2752%0.51715%0.148SC..Hα-helixtrans-63.1-47.9179.6-162.5-170.8-45.2113.84.5111.5D294 S295 K301 G302D294-R298 VanDerWaalsContact O-CB 3.28Å; D294-R298 WeakPolarHBondContact O-CB 3.23Å; D294-R298 PolarHBondContact O-N 3.4Å; S295-R298 PolarHBondContact O-N 3.45Å; R298-K301 PolarHBondContact O-N 2.85Å; R298-G302 PolarHBondContact O-N 3Å
299N98.8Very high98.5Very high24 Ų2426.9 Ų26.913%0.12815%0.15CC..Hα-helixtrans-64.1-48.7179.9-69.4-12.4000111.2W168 L269 S295 A296 K301 G302 M303W168-N299 WeakPolarHBondContact CZ2-ND2 3.39Å; L269-N299 WeakPolarHBondContact O-CB 3.48Å; L269-N299 PolarHBondContact O-ND2 2.83Å; S295-N299 WeakPolarHBondContact O-CB 3.16Å; S295-N299 PolarHBondContact O-N 3.02Å; S295-N299 PolarHBondContact O-ND2 2.84Å; A296-N299 PolarHBondContact O-N 2.98Å; N299-K301 PolarHBondContact O-N 3.43Å; N299-G302 CarbonylContact O-C 3.17Å; N299-G302 PolarHBondContact O-N 3.4Å; N299-G302 VanDerWaalsContact O-N 3.14Å; N299-M303 WeakPolarHBondContact O-CG 3.41Å; N299-M303 PolarHBondContact O-N 3.18Å
300L98.8Very high98.4Very high0 Ų027.8 Ų27.80%016%0.155CC..Hα-helixtrans-60.2-42.8177.5-176.969.9000112.3T197 L199 L269 A296 G302 M303 F306 L362 A366T197-L300 HydrophobicContact CG2-CD1 3.73Å; L199-L300 HydrophobicContact CD1-CD1 3.97Å; L199-L300 HydrophobicContact CD1-CD2 3.57Å; L199-L300 HydrophobicContact CD1-CG 4.44Å; L269-L300 HydrophobicContact CD1-CB 4.45Å; L269-L300 HydrophobicContact CD1-CD1 4.11Å; A296-L300 WeakPolarHBondContact O-CB 3.29Å; A296-L300 PolarHBondContact O-N 3.36Å; L300-G302 VanDerWaalsContact C-N 3.29Å; L300-G302 PolarHBondContact O-N 3.21Å; L300-M303 HydrophobicContact CD1-SD 4.24Å; L300-M303 WeakPolarHBondContact O-CB 3.38Å; L300-M303 PolarHBondContact O-N 3.28Å; L300-F306 HydrophobicContact CD1-CB 3.83Å; L300-F306 HydrophobicContact CD1-CD1 3.74Å; L300-F306 HydrophobicContact CD1-CD2 4.13Å; L300-F306 HydrophobicContact CD1-CE1 4.34Å; L300-F306 HydrophobicContact CD1-CG 3.63Å; L300-F306 HydrophobicContact CD2-CE1 4.46Å; L300-F306 HydrophobicContact CD2-CE2 4.47Å; L300-F306 HydrophobicContact CD2-CZ 4.38Å; L300-F306 HydrophobicContact CG-CD1 3.91Å; L300-F306 HydrophobicContact CG-CE1 4.03Å; L300-F306 HydrophobicContact CG-CG 4.22Å; L300-F306 HydrophobicContact CG-CZ 4.43Å; L300-L362 HydrophobicContact CD2-CD1 4.2Å; L300-A366 HydrophobicContact CD2-CB 3.57Å
301K98.4Very high98.3Very high59 Ų5928.8 Ų28.826%0.25715%0.151SC..Hα-helixtrans-63.3-37.5176.2-172.9-178.677.7143.60112D89 R92 K297 R298 N299 Y365 L369 R373D89-K301 HydrophobicContact CB-CD 4.31Å; D89-K301 HydrophobicContact CB-CG 4.45Å; D89-K301 WeakPolarHBondContact OD1-CD 3.43Å; D89-K301 WeakPolarHBondContact OD1-CE 3.35Å; D89-K301 IonicContact OD1-NZ 3.69Å; D89-K301 PolarHBondContact OD1-NZ 2.94Å; D89-K301 IonicContact OD2-NZ 2.83Å; R92-K301 PolarHBondContact NH2-O 3.49Å; K297-K301 WeakPolarHBondContact O-CB 3.47Å; K297-K301 PolarHBondContact O-N 3.03Å; R298-K301 PolarHBondContact O-N 2.85Å; N299-K301 PolarHBondContact O-N 3.43Å; K301-Y365 WeakPolarHBondContact CD-OH 3.33Å; K301-L369 HydrophobicContact CB-CD2 4.21Å; K301-L369 HydrophobicContact CG-CD2 4.07Å; K301-R373 PolarHBondContact O-NH2 3.13Å
302G97.7Very high98.2Very high58 Ų5827.6 Ų27.660%0.59814%0.142SC*.Hα-helixtrans-75.8-19.1178.800000114.9R298 N299 L300R298-G302 PolarHBondContact O-N 3Å; N299-G302 CarbonylContact O-C 3.17Å; N299-G302 PolarHBondContact O-N 3.4Å; N299-G302 VanDerWaalsContact O-N 3.14Å; L300-G302 VanDerWaalsContact C-N 3.29Å; L300-G302 PolarHBondContact O-N 3.21Å
303M98.5Very high98Very high6 Ų629.7 Ų29.73%0.0315%0.15CC..SBendtrans-57.8149173.6-74.4-175.4-178.300111.6R92 L107 Y195 T197 L269 N299 L300 F305R92-M303 PolarHBondContact NE-O 2.92Å; L107-M303 HydrophobicContact CD1-CE 4.06Å; Y195-M303 WeakPolarHBondContact O-CB 3.41Å; T197-M303 HydrophobicContact CG2-CE 4.42Å; T197-M303 HydrophobicContact CG2-SD 3.73Å; L269-M303 HydrophobicContact CD2-CE 3.49Å; L269-M303 VanDerWaalsContact CD2-CE 3.49Å; L269-M303 HydrophobicContact CD2-SD 4.45Å; N299-M303 WeakPolarHBondContact O-CG 3.41Å; N299-M303 PolarHBondContact O-N 3.18Å; L300-M303 HydrophobicContact CD1-SD 4.24Å; L300-M303 WeakPolarHBondContact O-CB 3.38Å; L300-M303 PolarHBondContact O-N 3.28Å; M303-F305 VanDerWaalsContact C-N 3.27Å; M303-F305 PolarHBondContact O-N 3.35Å
304A98.3Very high97.9Very high11 Ų1129.7 Ų29.79%0.09115%0.15CC..SBendtrans-59.3-44.3175.500000110.3V94 Y194 Y195 I196 T322 F323V94-A304 HydrophobicContact CG2-CB 4.17Å; Y194-A304 HydrophobicContact CD1-CB 4.08Å; Y194-A304 HydrophobicContact CG-CB 4.31Å; Y195-A304 PolarHBondContact O-N 3.04Å; Y195-A304 VanDerWaalsContact O-N 3.1Å; I196-A304 HydrophobicContact CG2-CB 4.49Å; A304-T322 WeakPolarHBondContact O-CG2 3.3Å; A304-F323 HydrophobicContact CB-CE1 4.17Å; A304-F323 HydrophobicContact CB-CZ 3.79Å
305F98.7Very high97.9Very high4 Ų425.4 Ų25.42%0.01813%0.127CC..EExtended strand (participates in β ladder)trans-152.2149.2-179.3167.5-96.3000111.3F117 I196 T197 M303 T315 L318 F319 T322 F323F117-F305 HydrophobicContact CE2-CE1 4.27Å; F117-F305 HydrophobicContact CZ-CD1 4.45Å; F117-F305 AromaticContact CZ-CE1 3.82Å; F117-F305 HydrophobicContact CZ-CE1 3.82Å; I196-F305 WeakPolarHBondContact CA-O 3.49Å; I196-F305 HydrophobicContact CB-CD1 4.19Å; I196-F305 WeakPolarHBondContact CB-O 3.42Å; I196-F305 HydrophobicContact CG2-CB 3.8Å; I196-F305 HydrophobicContact CG2-CD1 4.21Å; T197-F305 PolarHBondContact N-O 3.04Å; M303-F305 VanDerWaalsContact C-N 3.27Å; M303-F305 PolarHBondContact O-N 3.35Å; F305-T315 HydrophobicContact CE1-CG2 4.44Å; F305-T315 HydrophobicContact CZ-CG2 3.87Å; F305-T315 WeakPolarHBondContact CZ-O 3.4Å; F305-L318 HydrophobicContact CD2-CB 4.15Å; F305-L318 HydrophobicContact CE2-CB 3.59Å; F305-F319 HydrophobicContact CD1-CB 4.42Å; F305-F319 AromaticContact CD1-CD2 3.77Å; F305-F319 HydrophobicContact CD1-CD2 3.77Å; F305-F319 HydrophobicContact CD2-CB 4.34Å; F305-F319 HydrophobicContact CE1-CB 4.04Å; F305-F319 AromaticContact CE1-CD2 3.88Å; F305-F319 HydrophobicContact CE1-CD2 3.88Å; F305-F319 HydrophobicContact CE1-CG 4.47Å; F305-F319 HydrophobicContact CE2-CB 3.96Å; F305-F319 VanDerWaalsContact CE2-N 3.31Å; F305-F319 HydrophobicContact CG-CD2 4.29Å; F305-F319 HydrophobicContact CZ-CB 3.78Å; F305-F319 HydrophobicContact CZ-CD2 4.48Å; F305-T322 HydrophobicContact CB-CG2 4.22Å; F305-F323 HydrophobicContact CB-CE2 3.77Å; F305-F323 HydrophobicContact CB-CZ 4.27Å; F305-F323 HydrophobicContact CG-CE2 4.41Å
306F98.9Very high97.9Very high2 Ų225.7 Ų25.71%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-143.4151.6160.469.1-89.7000110.4T197 L300 L308 A366 L369 F370 R373T197-F306 HydrophobicContact CG2-CB 3.81Å; T197-F306 CarbonylContact O-C 3.59Å; T197-F306 WeakPolarHBondContact O-CA 3.43Å; L300-F306 HydrophobicContact CD1-CB 3.83Å; L300-F306 HydrophobicContact CD1-CD1 3.74Å; L300-F306 HydrophobicContact CD1-CD2 4.13Å; L300-F306 HydrophobicContact CD1-CE1 4.34Å; L300-F306 HydrophobicContact CD1-CG 3.63Å; L300-F306 HydrophobicContact CD2-CE1 4.46Å; L300-F306 HydrophobicContact CD2-CE2 4.47Å; L300-F306 HydrophobicContact CD2-CZ 4.38Å; L300-F306 HydrophobicContact CG-CD1 3.91Å; L300-F306 HydrophobicContact CG-CE1 4.03Å; L300-F306 HydrophobicContact CG-CG 4.22Å; L300-F306 HydrophobicContact CG-CZ 4.43Å; F306-L308 HydrophobicContact CD2-CD2 4.41Å; F306-L308 HydrophobicContact CE2-CD2 4.28Å; F306-A366 HydrophobicContact CE2-CB 3.98Å; F306-A366 WeakPolarHBondContact CE2-O 3Å; F306-A366 HydrophobicContact CZ-CB 4.34Å; F306-A366 WeakPolarHBondContact CZ-O 3.27Å; F306-L369 HydrophobicContact CE1-CD2 3.83Å; F306-L369 HydrophobicContact CE1-CG 4.23Å; F306-L369 HydrophobicContact CZ-CB 4.3Å; F306-L369 HydrophobicContact CZ-CD2 4.05Å; F306-L369 HydrophobicContact CZ-CG 4.13Å; F306-F370 HydrophobicContact CD2-CD2 4.43Å; F306-F370 HydrophobicContact CE2-CB 3.81Å; F306-F370 HydrophobicContact CE2-CD2 4.18Å; F306-F370 HydrophobicContact CE2-CG 4.43Å; F306-F370 HydrophobicContact CZ-CB 4.04Å; F306-F370 WeakPolarHBondContact O-CD2 3.49Å; F306-F370 WeakPolarHBondContact O-CE2 3.22Å; F306-R373 VanDerWaalsContact CE1-NH1 3.33Å
307G98.7Very high97.8Very high0 Ų026.1 Ų26.10%013%0.13CC..EExtended strand (participates in β ladder)trans-113.3168.2177.700000113.1T197 I198 L199T197-G307 PolarHBondContact O-N 2.77Å; I198-G307 WeakPolarHBondContact CA-O 3.3Å; L199-G307 PolarHBondContact N-O 3.11Å
308L98.5Very high97.8Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-124.7132.5175.7-61.8-177.5000109.6L199 F306 E310 Y311 T315 Y363 R367 F370L199-L308 HydrophobicContact CB-CD2 3.84Å; F306-L308 HydrophobicContact CD2-CD2 4.41Å; F306-L308 HydrophobicContact CE2-CD2 4.28Å; L308-E310 PolarHBondContact O-N 3.38Å; L308-E310 VanDerWaalsContact O-N 3.16Å; L308-Y311 HydrophobicContact CB-CD2 3.7Å; L308-Y311 HydrophobicContact CD1-CD2 3.72Å; L308-Y311 HydrophobicContact CD1-CE2 3.91Å; L308-Y311 HydrophobicContact CG-CD2 4.35Å; L308-Y311 CarbonylContact O-C 3.56Å; L308-Y311 PolarHBondContact O-N 3.11Å; L308-T315 PolarHBondContact N-OG1 3.2Å; L308-T315 VanDerWaalsContact N-OG1 3.16Å; L308-T315 PolarHBondContact O-OG1 2.94Å; L308-Y363 HydrophobicContact CD2-CE2 3.94Å; L308-R367 HydrophobicContact CD1-CB 4.18Å; L308-R367 HydrophobicContact CD1-CG 4.22Å; L308-F370 HydrophobicContact CD1-CB 3.81Å; L308-F370 HydrophobicContact CD1-CD1 3.54Å; L308-F370 HydrophobicContact CD1-CD2 4.46Å; L308-F370 HydrophobicContact CD1-CE1 4.2Å; L308-F370 HydrophobicContact CD1-CG 3.69Å; L308-F370 HydrophobicContact CG-CB 4.25Å; L308-F370 HydrophobicContact CG-CD1 3.99Å; L308-F370 HydrophobicContact CG-CD2 4.16Å; L308-F370 HydrophobicContact CG-CE1 4.37Å; L308-F370 HydrophobicContact CG-CG 3.88Å
309T97.4Very high97.8Very high18 Ų1819 Ų1911%0.1110%0.103CC..THydrogen-bonded Turntrans-58.1-33.7-175.3-55.60000112.2T112 L199 R200 Y311 Q312 Q333T112-T309 PolarHBondContact O-OG1 2.96Å; L199-T309 PolarHBondContact O-N 2.78Å; L199-T309 PolarHBondContact O-OG1 3.4Å; R200-T309 WeakPolarHBondContact CB-OG1 3.03Å; R200-T309 HydrophobicContact CG-CG2 4.31Å; T309-Y311 VanDerWaalsContact C-N 3.26Å; T309-Y311 PolarHBondContact O-N 3.48Å; T309-Q312 PolarHBondContact O-NE2 3.42Å; T309-Q333 PolarHBondContact O-NE2 3.12Å
310E94.9Very high97.7Very high55 Ų5519.2 Ų19.226%0.25710%0.103SC..THydrogen-bonded Turntrans-76.9-9-177.9-58.177.1-169.100113.5R200 D201 L308 Q333 Y363R200-E310 WeakPolarHBondContact CG-OE1 3.3Å; D201-E310 WeakPolarHBondContact CB-OE1 3.27Å; D201-E310 PolarHBondContact N-OE1 2.95Å; L308-E310 PolarHBondContact O-N 3.38Å; L308-E310 VanDerWaalsContact O-N 3.16Å; E310-Q333 PolarHBondContact O-OE1 3.49Å; E310-Y363 PolarHBondContact OE1-OH 3.48Å; E310-Y363 PolarHBondContact OE2-OH 3.08Å
311Y95.7Very high97.6Very high63 Ų6321.5 Ų21.525%0.24711%0.112CC..  trans-133.261.2-173.5-56.3-78.2000111.5L308 T309 R313 K314 T315 R367 F370 L371L308-Y311 HydrophobicContact CB-CD2 3.7Å; L308-Y311 HydrophobicContact CD1-CD2 3.72Å; L308-Y311 HydrophobicContact CD1-CE2 3.91Å; L308-Y311 HydrophobicContact CG-CD2 4.35Å; L308-Y311 CarbonylContact O-C 3.56Å; L308-Y311 PolarHBondContact O-N 3.11Å; T309-Y311 VanDerWaalsContact C-N 3.26Å; T309-Y311 PolarHBondContact O-N 3.48Å; Y311-R313 PolarHBondContact O-N 3.08Å; Y311-K314 HydrophobicContact CD1-CD 4.17Å; Y311-K314 PolarHBondContact O-N 3.43Å; Y311-T315 VanDerWaalsContact O-CB 3.25Å; Y311-T315 WeakPolarHBondContact O-CB 3.18Å; Y311-T315 PolarHBondContact O-N 2.92Å; Y311-T315 PolarHBondContact O-OG1 3.28Å; Y311-R367 HydrophobicContact CE2-CG 4.33Å; Y311-F370 HydrophobicContact CD2-CE1 4.34Å; Y311-F370 HydrophobicContact CG-CE1 4.25Å; Y311-L371 HydrophobicContact CD1-CD2 4.49Å; Y311-L371 HydrophobicContact CE1-CD2 4.28Å
312Q96.2Very high97.6Very high21 Ų2119 Ų1910%0.09810%0.102CC..Hα-helixtrans-58.8-46.4-173.3-69.5-61.3-43.200113.5T309 T315 Q316 F331T309-Q312 PolarHBondContact O-NE2 3.42Å; Q312-T315 WeakPolarHBondContact O-CB 3.03Å; Q312-T315 PolarHBondContact O-N 3.27Å; Q312-Q316 PolarHBondContact O-N 2.89Å; Q312-F331 HydrophobicContact CB-CB 4.03Å; Q312-F331 WeakPolarHBondContact O-CD2 3.3Å
313R95.9Very high97.6Very high46 Ų4616.4 Ų16.417%0.1747%0.074CC..Hα-helixtrans-67.5-39179.2-67.8-67.9-66.7158.4-6.1113P68 Y69 E72 Y311 T315 Q316 Y317 F331P68-R313 PolarHBondContact O-NH2 3.49Å; Y69-R313 WeakPolarHBondContact CE1-O 3.44Å; E72-R313 HydrophobicContact CG-CB 4Å; Y311-R313 PolarHBondContact O-N 3.08Å; R313-T315 VanDerWaalsContact C-N 3.34Å; R313-Q316 WeakPolarHBondContact O-CB 3.47Å; R313-Q316 PolarHBondContact O-N 3.43Å; R313-Y317 PolarHBondContact O-N 2.88Å; R313-F331 WeakPolarHBondContact CD-O 3.31Å
314K96.8Very high97.6Very high4 Ų423 Ų232%0.01711%0.109CC..Hα-helixtrans-67.7-36.4174.3-60-173.9169.6680111.7E72 Y311 Y317 L318 F370 L371 F374E72-K314 HydrophobicContact CB-CG 4.33Å; E72-K314 HydrophobicContact CG-CG 4.43Å; E72-K314 PolarHBondContact O-NZ 2.93Å; E72-K314 IonicContact OE2-NZ 3.6Å; E72-K314 PolarHBondContact OE2-NZ 3.17Å; Y311-K314 HydrophobicContact CD1-CD 4.17Å; Y311-K314 PolarHBondContact O-N 3.43Å; K314-Y317 PolarHBondContact O-N 3.39Å; K314-L318 WeakPolarHBondContact O-CB 3.38Å; K314-L318 PolarHBondContact O-N 3.28Å; K314-F370 HydrophobicContact CB-CE1 3.81Å; K314-F370 HydrophobicContact CB-CZ 3.88Å; K314-F370 HydrophobicContact CD-CE1 4.48Å; K314-L371 HydrophobicContact CD-CD2 4Å; K314-F374 HydrophobicContact CB-CD2 3.79Å; K314-F374 HydrophobicContact CB-CE2 3.95Å; K314-F374 HydrophobicContact CB-CG 4.21Å; K314-F374 HydrophobicContact CB-CZ 4.48Å; K314-F374 HydrophobicContact CD-CD1 3.75Å; K314-F374 HydrophobicContact CD-CD2 4.35Å; K314-F374 HydrophobicContact CD-CE1 3.91Å; K314-F374 HydrophobicContact CD-CE2 4.49Å; K314-F374 HydrophobicContact CD-CG 4.02Å; K314-F374 HydrophobicContact CD-CZ 4.3Å; K314-F374 HydrophobicContact CG-CD1 4.11Å; K314-F374 HydrophobicContact CG-CD2 3.95Å; K314-F374 HydrophobicContact CG-CE1 3.95Å; K314-F374 HydrophobicContact CG-CE2 3.79Å; K314-F374 HydrophobicContact CG-CG 4.13Å; K314-F374 HydrophobicContact CG-CZ 3.81Å
315T98.3Very high97.5Very high1 Ų123.7 Ų23.71%0.00611%0.111CC..Hα-helixtrans-61.9-46.6174.8-69.20000110.1F117 I198 F305 L308 Y311 Q312 R313 F319 F331F117-T315 HydrophobicContact CD2-CG2 4.39Å; F117-T315 HydrophobicContact CE2-CG2 4.2Å; I198-T315 HydrophobicContact CD1-CG2 4.06Å; F305-T315 HydrophobicContact CE1-CG2 4.44Å; F305-T315 HydrophobicContact CZ-CG2 3.87Å; F305-T315 WeakPolarHBondContact CZ-O 3.4Å; L308-T315 PolarHBondContact N-OG1 3.2Å; L308-T315 VanDerWaalsContact N-OG1 3.16Å; L308-T315 PolarHBondContact O-OG1 2.94Å; Y311-T315 VanDerWaalsContact O-CB 3.25Å; Y311-T315 WeakPolarHBondContact O-CB 3.18Å; Y311-T315 PolarHBondContact O-N 2.92Å; Y311-T315 PolarHBondContact O-OG1 3.28Å; Q312-T315 WeakPolarHBondContact O-CB 3.03Å; Q312-T315 PolarHBondContact O-N 3.27Å; R313-T315 VanDerWaalsContact C-N 3.34Å; T315-F319 WeakPolarHBondContact O-CB 3.46Å; T315-F319 PolarHBondContact O-N 2.89Å; T315-F331 HydrophobicContact CG2-CE2 4.26Å
316Q98.3Very high97.4Very high7 Ų729.9 Ų29.93%0.03314%0.14CC..Hα-helixtrans-55.7-56.3172.8-174.9-176.8-19.600111.2Y69 Q312 R313 L318 F319 E320 F327 F331Y69-Q316 PolarHBondContact OH-NE2 2.97Å; Q312-Q316 PolarHBondContact O-N 2.89Å; R313-Q316 WeakPolarHBondContact O-CB 3.47Å; R313-Q316 PolarHBondContact O-N 3.43Å; Q316-L318 PolarHBondContact O-N 3.49Å; Q316-F319 PolarHBondContact O-N 2.8Å; Q316-F319 VanDerWaalsContact O-N 3.16Å; Q316-E320 HydrophobicContact CG-CG 4.27Å; Q316-E320 PolarHBondContact NE2-OE1 3.06Å; Q316-E320 WeakPolarHBondContact O-CG 3.45Å; Q316-E320 PolarHBondContact O-N 3.37Å; Q316-F327 HydrophobicContact CG-CB 4.47Å; Q316-F327 HydrophobicContact CG-CD2 3.54Å; Q316-F327 HydrophobicContact CG-CE2 4.12Å; Q316-F327 HydrophobicContact CG-CG 4.33Å; Q316-F331 HydrophobicContact CB-CB 4.33Å; Q316-F331 HydrophobicContact CB-CD1 4.16Å; Q316-F331 HydrophobicContact CB-CD2 3.89Å; Q316-F331 HydrophobicContact CB-CE1 4.44Å; Q316-F331 HydrophobicContact CB-CE2 4.19Å; Q316-F331 HydrophobicContact CB-CG 3.87Å; Q316-F331 HydrophobicContact CB-CZ 4.46Å; Q316-F331 HydrophobicContact CG-CD1 4.08Å; Q316-F331 HydrophobicContact CG-CE1 4.21Å; Q316-F331 HydrophobicContact CG-CG 4.3Å
317Y97.9Very high97.4Very high8 Ų830.5 Ų30.53%0.03114%0.143CC..Hα-helixtrans-53.9-49.3-178.2175.4-96.9000113Y69 R313 K314 E320 R321 F374 A377 R378 E381Y69-Y317 HydrophobicContact CD1-CD2 4.31Å; Y69-Y317 HydrophobicContact CD1-CG 4.49Å; Y69-Y317 AromaticContact CD2-CD2 3.46Å; Y69-Y317 HydrophobicContact CD2-CD2 3.46Å; Y69-Y317 VanDerWaalsContact CD2-CD2 3.46Å; Y69-Y317 HydrophobicContact CD2-CE2 4.12Å; Y69-Y317 HydrophobicContact CD2-CG 4.38Å; Y69-Y317 HydrophobicContact CE1-CD2 4.39Å; Y69-Y317 HydrophobicContact CE1-CG 4.5Å; Y69-Y317 AromaticContact CE2-CD2 3.54Å; Y69-Y317 HydrophobicContact CE2-CD2 3.54Å; Y69-Y317 HydrophobicContact CE2-CE2 4.44Å; Y69-Y317 HydrophobicContact CE2-CG 4.37Å; Y69-Y317 AromaticContact CG-CD2 3.85Å; Y69-Y317 HydrophobicContact CG-CD2 3.85Å; Y69-Y317 HydrophobicContact CG-CG 4.42Å; R313-Y317 PolarHBondContact O-N 2.88Å; K314-Y317 PolarHBondContact O-N 3.39Å; Y317-E320 PolarHBondContact O-N 3.01Å; Y317-R321 WeakPolarHBondContact O-CB 3.32Å; Y317-R321 PolarHBondContact O-N 2.95Å; Y317-R321 PolarHBondContact OH-NH1 3.35Å; Y317-R321 VanDerWaalsContact OH-NH1 3.16Å; Y317-F374 AromaticContact CD1-CD2 3.47Å; Y317-F374 HydrophobicContact CD1-CD2 3.47Å; Y317-F374 VanDerWaalsContact CD1-CD2 3.47Å; Y317-F374 AromaticContact CD1-CE2 3.41Å; Y317-F374 HydrophobicContact CD1-CE2 3.41Å; Y317-F374 VanDerWaalsContact CD1-CE2 3.41Å; Y317-F374 HydrophobicContact CE1-CD2 4.09Å; Y317-F374 HydrophobicContact CE1-CE2 4.08Å; Y317-F374 HydrophobicContact CG-CD2 4.2Å; Y317-F374 AromaticContact CG-CE2 3.72Å; Y317-F374 HydrophobicContact CG-CE2 3.72Å; Y317-A377 HydrophobicContact CE1-CB 3.76Å; Y317-A377 PolarHBondContact OH-O 3.33Å; Y317-R378 HydrophobicContact CE1-CG 3.89Å; Y317-R378 WeakPolarHBondContact OH-CD 2.98Å; Y317-E381 VanDerWaalsContact CE2-OE2 3.26Å; Y317-E381 WeakPolarHBondContact CE2-OE2 3.38Å; Y317-E381 PolarHBondContact OH-OE2 2.68Å
318L98.3Very high97.3Very high12 Ų1235.6 Ų35.66%0.06317%0.169CC..Hα-helixtrans-67.7-36.5-178.1-80.3178.8000111.7F305 K314 Q316 T322 F370 R373 F374 A377F305-L318 HydrophobicContact CD2-CB 4.15Å; F305-L318 HydrophobicContact CE2-CB 3.59Å; K314-L318 WeakPolarHBondContact O-CB 3.38Å; K314-L318 PolarHBondContact O-N 3.28Å; Q316-L318 PolarHBondContact O-N 3.49Å; L318-T322 VanDerWaalsContact O-CB 3.25Å; L318-T322 WeakPolarHBondContact O-CB 3.28Å; L318-T322 PolarHBondContact O-N 3.29Å; L318-T322 PolarHBondContact O-OG1 3.38Å; L318-F370 HydrophobicContact CD1-CD2 3.78Å; L318-F370 HydrophobicContact CD1-CE2 3.54Å; L318-F370 HydrophobicContact CD1-CG 4.38Å; L318-F370 HydrophobicContact CD1-CZ 3.96Å; L318-R373 HydrophobicContact CD1-CB 4.16Å; L318-R373 HydrophobicContact CD2-CB 4.29Å; L318-F374 HydrophobicContact CD1-CB 4.03Å; L318-F374 HydrophobicContact CG-CB 4.32Å; L318-F374 HydrophobicContact CG-CD2 4.23Å; L318-A377 HydrophobicContact CD2-CB 4.18Å
319F98.6Very high97.2Very high0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-63.6-50.6174.4-179.2-82.1000111.1I104 F117 L121 I125 I196 F305 T315 Q316 R321 T322 F323 L325 F327I104-F319 HydrophobicContact CD1-CZ 4.32Å; F117-F319 HydrophobicContact CE2-CD2 4.44Å; F117-F319 AromaticContact CZ-CD2 3.85Å; F117-F319 HydrophobicContact CZ-CD2 3.85Å; F117-F319 HydrophobicContact CZ-CE2 4.15Å; L121-F319 HydrophobicContact CD2-CD2 4.48Å; L121-F319 HydrophobicContact CD2-CE1 4.4Å; L121-F319 HydrophobicContact CD2-CE2 3.58Å; L121-F319 HydrophobicContact CD2-CZ 3.53Å; I125-F319 HydrophobicContact CD1-CE1 3.94Å; I125-F319 HydrophobicContact CD1-CZ 4.03Å; I196-F319 HydrophobicContact CD1-CE2 3.92Å; F305-F319 HydrophobicContact CD1-CB 4.42Å; F305-F319 AromaticContact CD1-CD2 3.77Å; F305-F319 HydrophobicContact CD1-CD2 3.77Å; F305-F319 HydrophobicContact CD2-CB 4.34Å; F305-F319 HydrophobicContact CE1-CB 4.04Å; F305-F319 AromaticContact CE1-CD2 3.88Å; F305-F319 HydrophobicContact CE1-CD2 3.88Å; F305-F319 HydrophobicContact CE1-CG 4.47Å; F305-F319 HydrophobicContact CE2-CB 3.96Å; F305-F319 VanDerWaalsContact CE2-N 3.31Å; F305-F319 HydrophobicContact CG-CD2 4.29Å; F305-F319 HydrophobicContact CZ-CB 3.78Å; F305-F319 HydrophobicContact CZ-CD2 4.48Å; T315-F319 WeakPolarHBondContact O-CB 3.46Å; T315-F319 PolarHBondContact O-N 2.89Å; Q316-F319 PolarHBondContact O-N 2.8Å; Q316-F319 VanDerWaalsContact O-N 3.16Å; F319-R321 VanDerWaalsContact C-N 3.3Å; F319-R321 PolarHBondContact O-N 3.28Å; F319-T322 PolarHBondContact O-N 3.3Å; F319-F323 HydrophobicContact CD1-CD2 4.34Å; F319-F323 AromaticContact CD2-CD2 3.82Å; F319-F323 HydrophobicContact CD2-CD2 3.82Å; F319-F323 AromaticContact CD2-CE2 3.85Å; F319-F323 HydrophobicContact CD2-CE2 3.85Å; F319-F323 HydrophobicContact CE1-CD2 4.19Å; F319-F323 AromaticContact CE2-CD2 3.65Å; F319-F323 HydrophobicContact CE2-CD2 3.65Å; F319-F323 AromaticContact CE2-CE2 3.67Å; F319-F323 HydrophobicContact CE2-CE2 3.67Å; F319-F323 HydrophobicContact CG-CD2 4.17Å; F319-F323 AromaticContact CZ-CD2 3.85Å; F319-F323 HydrophobicContact CZ-CD2 3.85Å; F319-F323 HydrophobicContact CZ-CE2 4.28Å; F319-F323 PolarHBondContact O-N 3.39Å; F319-F323 VanDerWaalsContact O-N 3.11Å; F319-L325 HydrophobicContact CE1-CB 4.42Å; F319-L325 HydrophobicContact CE1-CD1 4.14Å; F319-L325 HydrophobicContact CZ-CD1 4.46Å; F319-F327 HydrophobicContact CB-CE2 4.09Å; F319-F327 HydrophobicContact CD1-CD2 4.41Å; F319-F327 AromaticContact CD1-CE2 3.3Å; F319-F327 HydrophobicContact CD1-CE2 3.3Å; F319-F327 AromaticContact CD1-CZ 3.38Å; F319-F327 HydrophobicContact CD1-CZ 3.38Å; F319-F327 AromaticContact CE1-CE2 3.96Å; F319-F327 HydrophobicContact CE1-CE2 3.96Å; F319-F327 AromaticContact CE1-CZ 3.63Å; F319-F327 HydrophobicContact CE1-CZ 3.63Å; F319-F327 AromaticContact CG-CE2 3.88Å; F319-F327 HydrophobicContact CG-CE2 3.88Å; F319-F327 AromaticContact CG-CZ 3.94Å; F319-F327 HydrophobicContact CG-CZ 3.94Å; F319-F327 HydrophobicContact CZ-CZ 4.37Å
320E97.8Very high97.1Very high29 Ų2939.7 Ų39.714%0.13620%0.198CC..Hα-helixtrans-54.5-48.2179.7-72.5178.9163.700110.9Y69 Q316 Y317 N324 L325 F327Y69-E320 PolarHBondContact OH-OE2 2.62Å; Q316-E320 HydrophobicContact CG-CG 4.27Å; Q316-E320 PolarHBondContact NE2-OE1 3.06Å; Q316-E320 WeakPolarHBondContact O-CG 3.45Å; Q316-E320 PolarHBondContact O-N 3.37Å; Y317-E320 PolarHBondContact O-N 3.01Å; E320-N324 CarbonylContact O-C 3.39Å; E320-N324 WeakPolarHBondContact O-CA 3.41Å; E320-N324 PolarHBondContact O-N 2.92Å; E320-L325 CarbonylContact C-O 3.6Å; E320-L325 WeakPolarHBondContact CA-O 3.39Å; E320-L325 WeakPolarHBondContact CB-O 3.06Å; E320-L325 WeakPolarHBondContact CG-O 3.22Å; E320-L325 PolarHBondContact O-N 2.89Å; E320-F327 HydrophobicContact CG-CD2 3.64Å; E320-F327 HydrophobicContact CG-CE2 4.1Å; E320-F327 WeakPolarHBondContact OE1-CD2 3.37Å; E320-F327 PolarHBondContact OE1-N 3.38Å
321R96.6Very high97.2Very high48 Ų4837.2 Ų37.218%0.18119%0.187CC..Hα-helixtrans-67.8-41.1178.6-169.2-178.6-178109.56.3113.2E93 Y317 F319 F323 A377E93-R321 IonicContact OE1-NE 3.7Å; E93-R321 IonicContact OE1-NH2 3.71Å; Y317-R321 WeakPolarHBondContact O-CB 3.32Å; Y317-R321 PolarHBondContact O-N 2.95Å; Y317-R321 PolarHBondContact OH-NH1 3.35Å; Y317-R321 VanDerWaalsContact OH-NH1 3.16Å; F319-R321 VanDerWaalsContact C-N 3.3Å; F319-R321 PolarHBondContact O-N 3.28Å; R321-F323 PolarHBondContact O-N 2.82Å; R321-A377 PolarHBondContact NH1-O 3.34Å
322T98.1Very high97.1Very high6 Ų638.6 Ų38.64%0.03720%0.201CC..Hα-helixtrans-62.5-44.3-176.9-60.70000111R92 V94 A304 F305 L318 F319R92-T322 HydrophobicContact CB-CG2 4.29Å; V94-T322 HydrophobicContact CB-CG2 4.47Å; V94-T322 WeakPolarHBondContact CB-O 3.32Å; V94-T322 HydrophobicContact CG2-CG2 3.89Å; V94-T322 PolarHBondContact N-O 3.41Å; A304-T322 WeakPolarHBondContact O-CG2 3.3Å; F305-T322 HydrophobicContact CB-CG2 4.22Å; L318-T322 VanDerWaalsContact O-CB 3.25Å; L318-T322 WeakPolarHBondContact O-CB 3.28Å; L318-T322 PolarHBondContact O-N 3.29Å; L318-T322 PolarHBondContact O-OG1 3.38Å; F319-T322 PolarHBondContact O-N 3.3Å
323F98.2Very high96.9Very high3 Ų341 Ų411%0.01321%0.213CC..Hα-helixtrans-101.61.3-174.9-64.6-74.6000113.7V94 F96 I104 Y194 I196 A304 F305 F319 R321 L325V94-F323 HydrophobicContact CB-CD1 4.28Å; V94-F323 HydrophobicContact CB-CE1 4.45Å; V94-F323 HydrophobicContact CG1-CD1 4.34Å; V94-F323 HydrophobicContact CG1-CE1 4.41Å; V94-F323 HydrophobicContact CG2-CE1 4.47Å; F96-F323 HydrophobicContact CB-CB 4.32Å; F96-F323 HydrophobicContact CB-CD1 3.94Å; F96-F323 HydrophobicContact CD2-CD1 4.3Å; F96-F323 HydrophobicContact CG-CD1 4.06Å; I104-F323 HydrophobicContact CD1-CD1 3.87Å; I104-F323 HydrophobicContact CD1-CD2 4.41Å; I104-F323 HydrophobicContact CD1-CE1 3.9Å; I104-F323 HydrophobicContact CD1-CE2 4.42Å; I104-F323 HydrophobicContact CD1-CG 4.14Å; I104-F323 HydrophobicContact CD1-CZ 4.18Å; I104-F323 HydrophobicContact CG1-CD1 4.29Å; I104-F323 HydrophobicContact CG1-CE1 3.9Å; I104-F323 HydrophobicContact CG1-CZ 4.25Å; Y194-F323 HydrophobicContact CD2-CE1 4.37Å; Y194-F323 HydrophobicContact CG-CE1 4.12Å; I196-F323 HydrophobicContact CG2-CE2 3.94Å; I196-F323 HydrophobicContact CG2-CZ 3.66Å; A304-F323 HydrophobicContact CB-CE1 4.17Å; A304-F323 HydrophobicContact CB-CZ 3.79Å; F305-F323 HydrophobicContact CB-CE2 3.77Å; F305-F323 HydrophobicContact CB-CZ 4.27Å; F305-F323 HydrophobicContact CG-CE2 4.41Å; F319-F323 HydrophobicContact CD1-CD2 4.34Å; F319-F323 AromaticContact CD2-CD2 3.82Å; F319-F323 HydrophobicContact CD2-CD2 3.82Å; F319-F323 AromaticContact CD2-CE2 3.85Å; F319-F323 HydrophobicContact CD2-CE2 3.85Å; F319-F323 HydrophobicContact CE1-CD2 4.19Å; F319-F323 AromaticContact CE2-CD2 3.65Å; F319-F323 HydrophobicContact CE2-CD2 3.65Å; F319-F323 AromaticContact CE2-CE2 3.67Å; F319-F323 HydrophobicContact CE2-CE2 3.67Å; F319-F323 HydrophobicContact CG-CD2 4.17Å; F319-F323 AromaticContact CZ-CD2 3.85Å; F319-F323 HydrophobicContact CZ-CD2 3.85Å; F319-F323 HydrophobicContact CZ-CE2 4.28Å; F319-F323 PolarHBondContact O-N 3.39Å; F319-F323 VanDerWaalsContact O-N 3.11Å; R321-F323 PolarHBondContact O-N 2.82Å; F323-L325 HydrophobicContact CB-CB 4.43Å; F323-L325 HydrophobicContact CB-CD1 3.85Å; F323-L325 HydrophobicContact CB-CG 3.96Å; F323-L325 PolarHBondContact O-N 3.21Å
324N96.9Very high96.3Very high145 Ų14543.7 Ų43.778%0.77523%0.23SC*.THydrogen-bonded Turntrans49.844.1-170.5-168.140.5000112.6E320E320-N324 CarbonylContact O-C 3.39Å; E320-N324 WeakPolarHBondContact O-CA 3.41Å; E320-N324 PolarHBondContact O-N 2.92Å
325L96.8Very high95.2Very high25 Ų2549 Ų4913%0.13126%0.259CS..  trans-114.5165.7176.8-67.2174.7000109.4F96 I125 L127 F319 E320 F323F96-L325 HydrophobicContact CD1-CD1 4.11Å; F96-L325 HydrophobicContact CD1-CG 4.49Å; F96-L325 HydrophobicContact CE1-CD1 4.17Å; I125-L325 HydrophobicContact CD1-CD1 4.48Å; I125-L325 HydrophobicContact CG2-CB 4.2Å; I125-L325 HydrophobicContact CG2-CD1 4.25Å; I125-L325 HydrophobicContact CG2-CD2 4.4Å; L127-L325 HydrophobicContact CD2-CD2 4.31Å; F319-L325 HydrophobicContact CE1-CB 4.42Å; F319-L325 HydrophobicContact CE1-CD1 4.14Å; F319-L325 HydrophobicContact CZ-CD1 4.46Å; E320-L325 CarbonylContact C-O 3.6Å; E320-L325 WeakPolarHBondContact CA-O 3.39Å; E320-L325 WeakPolarHBondContact CB-O 3.06Å; E320-L325 WeakPolarHBondContact CG-O 3.22Å; E320-L325 PolarHBondContact O-N 2.89Å; F323-L325 HydrophobicContact CB-CB 4.43Å; F323-L325 HydrophobicContact CB-CD1 3.85Å; F323-L325 HydrophobicContact CB-CG 3.96Å; F323-L325 PolarHBondContact O-N 3.21Å
326Q97.1Very high93.7Very high134 Ų13452.7 Ų52.763%0.62630%0.297SS*.  trans-130.6141.1176.5-66.9-177-3.900110.2Q126Q126-Q326 PolarHBondContact N-O 3.04Å
327F97.9Very high92.6Very high16 Ų1654.4 Ų54.47%0.0731%0.308CS..BIsolated β-bridgetrans-87.1145.6168.2-66.7-83.7000111H120 N124 I125 Q316 F319 E320 F331H120-F327 HydrophobicContact CB-CD1 4.21Å; H120-F327 HydrophobicContact CB-CE1 3.79Å; N124-F327 HydrophobicContact CB-CD1 4.03Å; N124-F327 CarbonylContact O-C 3.58Å; N124-F327 WeakPolarHBondContact O-CA 3.38Å; N124-F327 WeakPolarHBondContact O-CB 3.46Å; N124-F327 VanDerWaalsContact O-CD1 3.29Å; N124-F327 WeakPolarHBondContact O-CD1 3.4Å; I125-F327 HydrophobicContact CD1-CE1 4.13Å; I125-F327 HydrophobicContact CG1-CD1 3.76Å; I125-F327 HydrophobicContact CG1-CE1 3.46Å; I125-F327 VanDerWaalsContact CG1-CE1 3.46Å; I125-F327 HydrophobicContact CG1-CZ 4.23Å; Q316-F327 HydrophobicContact CG-CB 4.47Å; Q316-F327 HydrophobicContact CG-CD2 3.54Å; Q316-F327 HydrophobicContact CG-CE2 4.12Å; Q316-F327 HydrophobicContact CG-CG 4.33Å; F319-F327 HydrophobicContact CB-CE2 4.09Å; F319-F327 HydrophobicContact CD1-CD2 4.41Å; F319-F327 AromaticContact CD1-CE2 3.3Å; F319-F327 HydrophobicContact CD1-CE2 3.3Å; F319-F327 AromaticContact CD1-CZ 3.38Å; F319-F327 HydrophobicContact CD1-CZ 3.38Å; F319-F327 AromaticContact CE1-CE2 3.96Å; F319-F327 HydrophobicContact CE1-CE2 3.96Å; F319-F327 AromaticContact CE1-CZ 3.63Å; F319-F327 HydrophobicContact CE1-CZ 3.63Å; F319-F327 AromaticContact CG-CE2 3.88Å; F319-F327 HydrophobicContact CG-CE2 3.88Å; F319-F327 AromaticContact CG-CZ 3.94Å; F319-F327 HydrophobicContact CG-CZ 3.94Å; F319-F327 HydrophobicContact CZ-CZ 4.37Å; E320-F327 HydrophobicContact CG-CD2 3.64Å; E320-F327 HydrophobicContact CG-CE2 4.1Å; E320-F327 WeakPolarHBondContact OE1-CD2 3.37Å; E320-F327 PolarHBondContact OE1-N 3.38Å; F327-F331 HydrophobicContact CB-CE1 4.35Å; F327-F331 AromaticContact CD1-CE1 3.64Å; F327-F331 HydrophobicContact CD1-CE1 3.64Å; F327-F331 HydrophobicContact CD1-CZ 4.09Å; F327-F331 AromaticContact CD2-CE1 3.84Å; F327-F331 HydrophobicContact CD2-CE1 3.84Å; F327-F331 HydrophobicContact CD2-CZ 4.08Å; F327-F331 AromaticContact CE1-CE1 3.77Å; F327-F331 HydrophobicContact CE1-CE1 3.77Å; F327-F331 AromaticContact CE1-CZ 3.74Å; F327-F331 HydrophobicContact CE1-CZ 3.74Å; F327-F331 AromaticContact CE2-CE1 3.93Å; F327-F331 HydrophobicContact CE2-CE1 3.93Å; F327-F331 AromaticContact CE2-CZ 3.68Å; F327-F331 HydrophobicContact CE2-CZ 3.68Å; F327-F331 AromaticContact CG-CE1 3.67Å; F327-F331 HydrophobicContact CG-CE1 3.67Å; F327-F331 HydrophobicContact CG-CZ 4.26Å; F327-F331 AromaticContact CZ-CE1 3.91Å; F327-F331 HydrophobicContact CZ-CE1 3.91Å; F327-F331 AromaticContact CZ-CZ 3.51Å; F327-F331 HydrophobicContact CZ-CZ 3.51Å
328I97.1Very high91.4Very high106 Ų10660.4 Ų60.454%0.54433%0.33SS..SBendtrans-70.4-54.3-179.6-55.4168.7000109.6N124 Q126N124-I328 PolarHBondContact O-N 3.05Å; Q126-I328 HydrophobicContact CB-CG1 4.27Å
329A96.3Very high90.1Very high25 Ų2560.1 Ų60.121%0.20733%0.33CS..SBendtrans-105.5143.8177.700000111.7N124 Y447N124-A329 PolarHBondContact ND2-O 2.86Å; N124-A329 WeakPolarHBondContact OD1-CB 3.33Å; N124-A329 PolarHBondContact OD1-N 3.2Å; A329-Y447 HydrophobicContact CB-CE1 4.43Å
330P96.5Very high88.6Confident79 Ų7963.5 Ų63.551%0.51335%0.353SS..  trans-65.5142.2176.129.1-35.6000111.7
331F96.3Very high87.3Confident4 Ų466.2 Ų66.22%0.01838%0.376CS..  trans-67.7139.1172.7-71.617.1000110.1F117 H120 Q312 R313 T315 Q316 F327F117-F331 AromaticContact CD2-CE2 3.87Å; F117-F331 HydrophobicContact CD2-CE2 3.87Å; F117-F331 HydrophobicContact CD2-CZ 4.19Å; F117-F331 HydrophobicContact CE2-CE2 4.08Å; F117-F331 HydrophobicContact CE2-CZ 4.25Å; H120-F331 HydrophobicContact CB-CE1 3.66Å; H120-F331 HydrophobicContact CB-CZ 3.65Å; H120-F331 AromaticContact CD2-CD1 3.75Å; H120-F331 AromaticContact CD2-CE1 3.46Å; H120-F331 VanDerWaalsContact CD2-CE1 3.46Å; H120-F331 WeakPolarHBondContact CD2-CE1 3.37Å; H120-F331 AromaticContact CD2-CE2 3.86Å; H120-F331 AromaticContact CD2-CZ 3.51Å; H120-F331 AromaticContact CE1-CD1 3.65Å; H120-F331 AromaticContact CE1-CE1 3.85Å; H120-F331 AromaticContact CG-CD1 3.9Å; H120-F331 AromaticContact CG-CE1 3.31Å; H120-F331 AromaticContact CG-CZ 3.59Å; H120-F331 AromaticContact ND1-CD1 3.83Å; H120-F331 AromaticContact ND1-CE1 3.57Å; H120-F331 AromaticContact NE2-CD1 3.62Å; H120-F331 AromaticContact NE2-CE1 3.83Å; H120-F331 AromaticContact NE2-CG 3.87Å; Q312-F331 HydrophobicContact CB-CB 4.03Å; Q312-F331 WeakPolarHBondContact O-CD2 3.3Å; R313-F331 WeakPolarHBondContact CD-O 3.31Å; T315-F331 HydrophobicContact CG2-CE2 4.26Å; Q316-F331 HydrophobicContact CB-CB 4.33Å; Q316-F331 HydrophobicContact CB-CD1 4.16Å; Q316-F331 HydrophobicContact CB-CD2 3.89Å; Q316-F331 HydrophobicContact CB-CE1 4.44Å; Q316-F331 HydrophobicContact CB-CE2 4.19Å; Q316-F331 HydrophobicContact CB-CG 3.87Å; Q316-F331 HydrophobicContact CB-CZ 4.46Å; Q316-F331 HydrophobicContact CG-CD1 4.08Å; Q316-F331 HydrophobicContact CG-CE1 4.21Å; Q316-F331 HydrophobicContact CG-CG 4.3Å; F327-F331 HydrophobicContact CB-CE1 4.35Å; F327-F331 AromaticContact CD1-CE1 3.64Å; F327-F331 HydrophobicContact CD1-CE1 3.64Å; F327-F331 HydrophobicContact CD1-CZ 4.09Å; F327-F331 AromaticContact CD2-CE1 3.84Å; F327-F331 HydrophobicContact CD2-CE1 3.84Å; F327-F331 HydrophobicContact CD2-CZ 4.08Å; F327-F331 AromaticContact CE1-CE1 3.77Å; F327-F331 HydrophobicContact CE1-CE1 3.77Å; F327-F331 AromaticContact CE1-CZ 3.74Å; F327-F331 HydrophobicContact CE1-CZ 3.74Å; F327-F331 AromaticContact CE2-CE1 3.93Å; F327-F331 HydrophobicContact CE2-CE1 3.93Å; F327-F331 AromaticContact CE2-CZ 3.68Å; F327-F331 HydrophobicContact CE2-CZ 3.68Å; F327-F331 AromaticContact CG-CE1 3.67Å; F327-F331 HydrophobicContact CG-CE1 3.67Å; F327-F331 HydrophobicContact CG-CZ 4.26Å; F327-F331 AromaticContact CZ-CE1 3.91Å; F327-F331 HydrophobicContact CZ-CE1 3.91Å; F327-F331 AromaticContact CZ-CZ 3.51Å; F327-F331 HydrophobicContact CZ-CZ 3.51Å
332T92.9Very high86.3Confident91 Ų9164.9 Ų64.956%0.55837%0.373SS*.  trans-106.5136.2-179.754.90000111L334T332-L334 PolarHBondContact O-N 3.38Å
333Q91.8Very high85.4Confident71 Ų7173.8 Ų73.833%0.33241%0.414SS..  trans-83.2111.7177-172.364.946.700109.5T309 E310 N335T309-Q333 PolarHBondContact O-NE2 3.12Å; E310-Q333 PolarHBondContact O-OE1 3.49Å; Q333-N335 VanDerWaalsContact CG-OD1 3.27Å; Q333-N335 WeakPolarHBondContact CG-OD1 3.47Å; Q333-N335 PolarHBondContact NE2-OD1 2.9Å; Q333-N335 VanDerWaalsContact NE2-OD1 3.15Å
334L83.4Confident84.7Confident104 Ų10474.4 Ų74.455%0.54542%0.418SS..  trans-103.693.7176.8-62.4177.2000109.8T332 T337T332-L334 PolarHBondContact O-N 3.38Å; L334-T337 WeakPolarHBondContact O-CG2 3.41Å
335N73.8Confident84.5Confident115 Ų11571.6 Ų71.662%0.61541%0.408SS*.  trans-80.6-25.4-179.7-68.3-24.6000112.9Q333 T337 S340Q333-N335 VanDerWaalsContact CG-OD1 3.27Å; Q333-N335 WeakPolarHBondContact CG-OD1 3.47Å; Q333-N335 PolarHBondContact NE2-OD1 2.9Å; Q333-N335 VanDerWaalsContact NE2-OD1 3.15Å; N335-T337 VanDerWaalsContact C-N 3.25Å; N335-T337 PolarHBondContact O-N 3.37Å; N335-S340 WeakPolarHBondContact O-CB 3.33Å; N335-S340 PolarHBondContact O-OG 2.83Å
336G68Low84.4Confident79 Ų7974.6 Ų74.681%0.81443%0.431SS*.  trans-7567.5175.500000112.8
337T73.4Confident84.3Confident42 Ų4275.7 Ų75.726%0.25844%0.436SS..  trans-94.1159.2178.372.40000111.6R200 L334 N335 A339 S340 S341R200-T337 PolarHBondContact NH2-OG1 2.87Å; L334-T337 WeakPolarHBondContact O-CG2 3.41Å; N335-T337 VanDerWaalsContact C-N 3.25Å; N335-T337 PolarHBondContact O-N 3.37Å; T337-A339 PolarHBondContact O-N 3.44Å; T337-A339 PolarHBondContact OG1-N 3.26Å; T337-S340 PolarHBondContact N-OG 2.03Å; T337-S340 PolarHBondContact O-N 3.42Å; T337-S340 PolarHBondContact O-OG 3.41Å; T337-S340 PolarHBondContact OG1-N 2.91Å; T337-S341 PolarHBondContact O-N 3.34Å; T337-S341 VanDerWaalsContact O-N 3.13Å
338R72.8Confident84.2Confident134 Ų13476.5 Ų76.551%0.50644%0.443SS..THydrogen-bonded Turntrans-57.4-16172.3-63-172.4-170.6-179.74.5114.4R215 S341 V342R215-R338 VanDerWaalsContact NH1-NH1 3.1Å; R338-S341 PolarHBondContact O-OG 3.42Å; R338-S341 VanDerWaalsContact O-OG 3.06Å; R338-V342 WeakPolarHBondContact O-CG2 3.27Å
339A71.3Confident84.1Confident6 Ų674.3 Ų74.35%0.0543%0.43CS..THydrogen-bonded Turntrans-83.7-37.9173.600000111.8S204 L207 T337 S341 V342S204-A339 VanDerWaalsContact O-CB 3.31Å; S204-A339 WeakPolarHBondContact O-CB 3.27Å; L207-A339 HydrophobicContact CB-CB 4.31Å; T337-A339 PolarHBondContact O-N 3.44Å; T337-A339 PolarHBondContact OG1-N 3.26Å; A339-S341 VanDerWaalsContact C-N 3.26Å; A339-S341 PolarHBondContact O-N 3.03Å; A339-V342 PolarHBondContact O-N 3.01Å
340S66.9Low84.1Confident71 Ų7178.5 Ų78.550%0.49745%0.445SS..THydrogen-bonded Turntrans-74.2-18.5177.661.40000112.7N335 T337 V342N335-S340 WeakPolarHBondContact O-CB 3.33Å; N335-S340 PolarHBondContact O-OG 2.83Å; T337-S340 PolarHBondContact N-OG 2.03Å; T337-S340 PolarHBondContact O-N 3.42Å; T337-S340 PolarHBondContact O-OG 3.41Å; T337-S340 PolarHBondContact OG1-N 2.91Å; S340-V342 PolarHBondContact O-N 3.01Å
341S71.2Confident84.2Confident87 Ų8780.4 Ų80.461%0.60844%0.442SS*.THydrogen-bonded Turntrans-78.7-2171.868.60000113.7T337 R338 A339T337-S341 PolarHBondContact O-N 3.34Å; T337-S341 VanDerWaalsContact O-N 3.13Å; R338-S341 PolarHBondContact O-OG 3.42Å; R338-S341 VanDerWaalsContact O-OG 3.06Å; A339-S341 VanDerWaalsContact C-N 3.26Å; A339-S341 PolarHBondContact O-N 3.03Å
342V75.3Confident84.3Confident20 Ų2080.2 Ų80.212%0.12144%0.441CS..  trans-98.7104.8175.2-167.90000108W210 R211 R338 A339 S340 V344W210-V342 HydrophobicContact CZ3-CG1 3.84Å; W210-V342 HydrophobicContact CZ3-CG2 4.18Å; R211-V342 HydrophobicContact CG-CG2 4.14Å; R338-V342 WeakPolarHBondContact O-CG2 3.27Å; A339-V342 PolarHBondContact O-N 3.01Å; S340-V342 PolarHBondContact O-N 3.01Å; V342-V344 HydrophobicContact CB-CG2 4.07Å; V342-V344 HydrophobicContact CG1-CG2 3.36Å; V342-V344 PolarHBondContact O-N 3.44Å
343E78.6Confident84.6Confident193 Ų19381 Ų8190%0.90243%0.434SS*.  trans-72.7112.6165.1-68.8-173.7177.100108.4
344V85.4Confident84.9Confident15 Ų1583.2 Ų83.29%0.09145%0.445CS..  trans-115.9126.4-178.3-179.10000108.2L207 L250 V342 T348 Q349L207-V344 HydrophobicContact CD1-CG2 3.8Å; L207-V344 HydrophobicContact CD2-CG2 3.89Å; L250-V344 HydrophobicContact CD2-CG1 4.46Å; L250-V344 HydrophobicContact CD2-CG2 4.5Å; V342-V344 HydrophobicContact CB-CG2 4.07Å; V342-V344 HydrophobicContact CG1-CG2 3.36Å; V342-V344 PolarHBondContact O-N 3.44Å; V344-T348 VanDerWaalsContact CG1-CB 3.41Å; V344-T348 HydrophobicContact CG1-CG2 3.4Å; V344-T348 VanDerWaalsContact CG1-CG2 3.4Å; V344-Q349 HydrophobicContact CB-CG 4.1Å; V344-Q349 HydrophobicContact CG1-CG 3.95Å; V344-Q349 PolarHBondContact O-NE2 2.98Å
345P92.5Very high85.6Confident86 Ų8679.8 Ų79.856%0.55843%0.427SS*.  trans-53.5148.1176.6-25.634000112.1E347 T348 Q349P345-E347 PolarHBondContact O-N 3.02Å; P345-T348 PolarHBondContact O-N 3.35Å; P345-Q349 PolarHBondContact O-N 2.85Å
346S93Very high86.8Confident89 Ų8974.3 Ų74.362%0.62240%0.397SS*.Hα-helixtrans-55.1-37.6-177.7-58.80000113.1Q349 Q350S346-Q349 PolarHBondContact O-N 3.22Å; S346-Q350 WeakPolarHBondContact O-CG 3.42Å; S346-Q350 PolarHBondContact O-N 3.47Å
347E95.3Very high88.2Confident156 Ų15675.5 Ų75.573%0.72938%0.377SS*.Hα-helixtrans-62.4-47.2175.8-176179.9-177.500111.8P345 Q349 Q350 R351P345-E347 PolarHBondContact O-N 3.02Å; E347-Q349 VanDerWaalsContact C-N 3.31Å; E347-Q349 PolarHBondContact O-N 3.31Å; E347-Q350 WeakPolarHBondContact O-CB 3.3Å; E347-Q350 PolarHBondContact O-N 2.95Å; E347-Q350 VanDerWaalsContact O-N 3.11Å; E347-R351 PolarHBondContact O-N 3.35Å
348T95.8Very high89.4Confident34 Ų3474.9 Ų74.921%0.20937%0.37CS..Hα-helixtrans-63.5-37.5175.9-50.90000111.4L250 M254 V344 P345 Q350 R351 I352L250-T348 HydrophobicContact CD2-CG2 3.85Å; M254-T348 HydrophobicContact CE-CG2 4Å; M254-T348 HydrophobicContact SD-CG2 4.08Å; V344-T348 VanDerWaalsContact CG1-CB 3.41Å; V344-T348 HydrophobicContact CG1-CG2 3.4Å; V344-T348 VanDerWaalsContact CG1-CG2 3.4Å; P345-T348 PolarHBondContact O-N 3.35Å; T348-Q350 VanDerWaalsContact C-N 3.34Å; T348-Q350 PolarHBondContact O-N 3.09Å; T348-R351 PolarHBondContact O-N 2.71Å; T348-I352 HydrophobicContact CG2-CD1 4.3Å; T348-I352 WeakPolarHBondContact O-CG1 3.22Å; T348-I352 PolarHBondContact O-N 3.39Å
349Q95.3Very high90.7Very high60 Ų6068.5 Ų68.528%0.2835%0.346SS..Hα-helixtrans-63-39.4172.9-64.9-176.73300112.2V344 P345 S346 E347 I352 R353V344-Q349 HydrophobicContact CB-CG 4.1Å; V344-Q349 HydrophobicContact CG1-CG 3.95Å; V344-Q349 PolarHBondContact O-NE2 2.98Å; P345-Q349 PolarHBondContact O-N 2.85Å; S346-Q349 PolarHBondContact O-N 3.22Å; E347-Q349 VanDerWaalsContact C-N 3.31Å; E347-Q349 PolarHBondContact O-N 3.31Å; Q349-I352 PolarHBondContact O-N 2.61Å; Q349-R353 WeakPolarHBondContact O-CG 3.18Å; Q349-R353 PolarHBondContact O-N 2.88Å
350Q97.4Very high92Very high113 Ų11370.1 Ų70.153%0.52836%0.355SS..Hα-helixtrans-63.7-42.6174.6-72.1173.1-5.400111.3S346 E347 T348 I352 R353 Q354S346-Q350 WeakPolarHBondContact O-CG 3.42Å; S346-Q350 PolarHBondContact O-N 3.47Å; E347-Q350 WeakPolarHBondContact O-CB 3.3Å; E347-Q350 PolarHBondContact O-N 2.95Å; E347-Q350 VanDerWaalsContact O-N 3.11Å; T348-Q350 VanDerWaalsContact C-N 3.34Å; T348-Q350 PolarHBondContact O-N 3.09Å; Q350-I352 PolarHBondContact O-N 2.78Å; Q350-R353 WeakPolarHBondContact O-CB 3.34Å; Q350-R353 PolarHBondContact O-N 3.08Å; Q350-R353 VanDerWaalsContact O-N 3.17Å; Q350-Q354 WeakPolarHBondContact O-CG 3.42Å; Q350-Q354 PolarHBondContact O-N 2.86Å
351R98Very high93.5Very high118 Ų11870.6 Ų70.645%0.44535%0.35SS..Hα-helixtrans-59.6-44.6174.5-176.559.3174.4-166.5-1.9112.1M254 E347 T348 R353 Q354 L355M254-R351 HydrophobicContact SD-CG 4.2Å; E347-R351 PolarHBondContact O-N 3.35Å; T348-R351 PolarHBondContact O-N 2.71Å; R351-R353 VanDerWaalsContact C-N 3.33Å; R351-R353 PolarHBondContact O-N 3.34Å; R351-Q354 WeakPolarHBondContact O-CB 3.29Å; R351-Q354 PolarHBondContact O-N 3.07Å; R351-L355 WeakPolarHBondContact O-CG 3.41Å; R351-L355 PolarHBondContact O-N 2.85Å
352I98.3Very high94.8Very high0 Ų066.5 Ų66.50%032%0.321CS..Hα-helixtrans-61.7-41.4175.3-66.8166.8000111V203 Y206 L207 M254 T348 Q349 Q350 Q354 L355 N356V203-I352 HydrophobicContact CB-CG2 4.34Å; V203-I352 HydrophobicContact CG1-CG2 4.19Å; V203-I352 HydrophobicContact CG2-CG2 4.19Å; Y206-I352 HydrophobicContact CD1-CD1 4.33Å; Y206-I352 HydrophobicContact CD1-CG1 4.12Å; Y206-I352 HydrophobicContact CD1-CG2 3.7Å; Y206-I352 HydrophobicContact CE1-CG1 4.23Å; Y206-I352 HydrophobicContact CE1-CG2 4.4Å; Y206-I352 HydrophobicContact CG-CG2 3.87Å; L207-I352 HydrophobicContact CD2-CD1 3.64Å; L207-I352 HydrophobicContact CG-CD1 4.09Å; M254-I352 HydrophobicContact CG-CG1 4.49Å; M254-I352 HydrophobicContact SD-CD1 4.36Å; M254-I352 HydrophobicContact SD-CG1 3.69Å; T348-I352 HydrophobicContact CG2-CD1 4.3Å; T348-I352 WeakPolarHBondContact O-CG1 3.22Å; T348-I352 PolarHBondContact O-N 3.39Å; Q349-I352 PolarHBondContact O-N 2.61Å; Q350-I352 PolarHBondContact O-N 2.78Å; I352-Q354 VanDerWaalsContact C-N 3.32Å; I352-Q354 PolarHBondContact O-N 2.96Å; I352-L355 PolarHBondContact O-N 3.33Å; I352-N356 WeakPolarHBondContact O-CB 3.13Å; I352-N356 PolarHBondContact O-N 3.16Å; I352-N356 PolarHBondContact O-ND2 2.96Å
353R98.3Very high95.9Very high107 Ų10766.1 Ų66.140%0.40432%0.317SS..Hα-helixtrans-61.3-39.4174.6-73.4-177.1-172.4100.84.3112V203 Q349 Q350 R351 N356 R357 V360V203-R353 HydrophobicContact CG2-CG 3.5Å; Q349-R353 WeakPolarHBondContact O-CG 3.18Å; Q349-R353 PolarHBondContact O-N 2.88Å; Q350-R353 WeakPolarHBondContact O-CB 3.34Å; Q350-R353 PolarHBondContact O-N 3.08Å; Q350-R353 VanDerWaalsContact O-N 3.17Å; R351-R353 VanDerWaalsContact C-N 3.33Å; R351-R353 PolarHBondContact O-N 3.34Å; R353-N356 CarbonylContact O-C 3.49Å; R353-N356 PolarHBondContact O-N 2.87Å; R353-R357 VanDerWaalsContact O-CA 3.3Å; R353-R357 WeakPolarHBondContact O-CA 3.3Å; R353-R357 PolarHBondContact O-N 3.24Å; R353-V360 HydrophobicContact CB-CG2 4.37Å; R353-V360 HydrophobicContact CG-CG2 4.35Å
354Q98.2Very high96.9Very high119 Ų11960.2 Ų60.256%0.55629%0.29SS*.Hα-helixtrans-64.9-47.2176.5-70.2168.7-1.800111.8Q350 R351 I352 N356 R357Q350-Q354 WeakPolarHBondContact O-CG 3.42Å; Q350-Q354 PolarHBondContact O-N 2.86Å; R351-Q354 WeakPolarHBondContact O-CB 3.29Å; R351-Q354 PolarHBondContact O-N 3.07Å; I352-Q354 VanDerWaalsContact C-N 3.32Å; I352-Q354 PolarHBondContact O-N 2.96Å; Q354-N356 PolarHBondContact O-N 3.11Å; Q354-R357 WeakPolarHBondContact O-CB 3.31Å; Q354-R357 PolarHBondContact O-N 3.28Å
355L98.4Very high97.5Very high32 Ų3260.8 Ų60.817%0.16829%0.29CS..Hα-helixtrans-59.7-27.6175.4-69.8172.4000112.6M254 N263 R351 I352M254-L355 HydrophobicContact CB-CD1 3.76Å; M254-L355 HydrophobicContact CG-CD1 3.82Å; M254-L355 HydrophobicContact SD-CD1 4.47Å; N263-L355 PolarHBondContact ND2-O 2.86Å; R351-L355 WeakPolarHBondContact O-CG 3.41Å; R351-L355 PolarHBondContact O-N 2.85Å; I352-L355 PolarHBondContact O-N 3.33Å
356N98.8Very high97.8Very high0 Ų056.7 Ų56.70%026%0.264CS..THydrogen-bonded Turntrans-113.628.8-178.7-65.1-88.7000112.5P202 Y206 A261 N263 I352 R353 Q354 W358 D359 V360P202-N356 HydrophobicContact CB-CB 4.17Å; Y206-N356 WeakPolarHBondContact CD2-ND2 3.4Å; A261-N356 PolarHBondContact O-OD1 2.65Å; N263-N356 PolarHBondContact N-OD1 2.72Å; N263-N356 VanDerWaalsContact N-OD1 3.11Å; N263-N356 WeakPolarHBondContact OD1-CA 3.38Å; N263-N356 PolarHBondContact OD1-O 2.92Å; I352-N356 WeakPolarHBondContact O-CB 3.13Å; I352-N356 PolarHBondContact O-N 3.16Å; I352-N356 PolarHBondContact O-ND2 2.96Å; R353-N356 CarbonylContact O-C 3.49Å; R353-N356 PolarHBondContact O-N 2.87Å; Q354-N356 PolarHBondContact O-N 3.11Å; N356-W358 PolarHBondContact O-N 2.91Å; N356-W358 VanDerWaalsContact O-N 3.15Å; N356-D359 HydrophobicContact CB-CB 4.16Å; N356-D359 WeakPolarHBondContact O-CB 3.42Å; N356-D359 PolarHBondContact O-N 3.24Å; N356-V360 WeakPolarHBondContact O-CG2 3.39Å; N356-V360 PolarHBondContact O-N 3.1Å
357R98.6Very high98Very high103 Ų10356 Ų5639%0.38925%0.248SC..Hα-helixtrans-55.2-36.8-172.764.5177.9170.9159-0.8113.4N263 D286 R353 Q354 V360 E361N263-R357 PolarHBondContact OD1-N 3.31Å; D286-R357 IonicContact OD1-CZ 2.7Å; D286-R357 VanDerWaalsContact OD1-CZ 3.28Å; D286-R357 IonicContact OD1-NH1 2.79Å; D286-R357 PolarHBondContact OD1-NH1 2.92Å; D286-R357 IonicContact OD1-NH2 3.11Å; D286-R357 PolarHBondContact OD1-NH2 3.29Å; R353-R357 VanDerWaalsContact O-CA 3.3Å; R353-R357 WeakPolarHBondContact O-CA 3.3Å; R353-R357 PolarHBondContact O-N 3.24Å; Q354-R357 WeakPolarHBondContact O-CB 3.31Å; Q354-R357 PolarHBondContact O-N 3.28Å; R357-V360 WeakPolarHBondContact O-CB 3.31Å; R357-V360 PolarHBondContact O-N 2.89Å; R357-E361 PolarHBondContact O-N 3.33Å; R357-E361 VanDerWaalsContact O-N 3.1Å
358W98.7Very high98.2Very high30 Ų3048.8 Ų48.811%0.11421%0.214CC..Hα-helixtrans-76.7-37.1-179.3-53.3117.9000111.6N263 T266 W289 L293 N356 V360 E361 L362N263-W358 HydrophobicContact CB-CB 4.34Å; N263-W358 WeakPolarHBondContact OD1-CB 3.3Å; N263-W358 PolarHBondContact OD1-N 2.94Å; T266-W358 HydrophobicContact CG2-CB 4.25Å; T266-W358 VanDerWaalsContact OG1-C 3.29Å; T266-W358 PolarHBondContact OG1-O 3.03Å; W289-W358 HydrophobicContact CB-CD2 3.81Å; W289-W358 HydrophobicContact CB-CG 4.05Å; W289-W358 HydrophobicContact CB-CH2 4.32Å; W289-W358 HydrophobicContact CB-CZ2 3.48Å; W289-W358 VanDerWaalsContact CB-CZ2 3.48Å; W289-W358 AromaticContact CD1-NE1 3.48Å; W289-W358 AromaticContact CD2-CD1 3.41Å; W289-W358 VanDerWaalsContact CD2-CD1 3.41Å; W289-W358 HydrophobicContact CD2-CG 4.23Å; W289-W358 AromaticContact CD2-NE1 3.65Å; W289-W358 HydrophobicContact CE3-CB 4.33Å; W289-W358 AromaticContact CE3-CD1 3.62Å; W289-W358 HydrophobicContact CE3-CG 4.08Å; W289-W358 AromaticContact CG-CD1 3.42Å; W289-W358 VanDerWaalsContact CG-CD1 3.42Å; W289-W358 HydrophobicContact CG-CD2 4.45Å; W289-W358 AromaticContact CG-CE2 3.78Å; W289-W358 HydrophobicContact CG-CG 4.25Å; W289-W358 HydrophobicContact CG-CZ2 4.37Å; W289-W358 AromaticContact CG-NE1 3.09Å; L293-W358 HydrophobicContact CB-CE3 4.44Å; L293-W358 HydrophobicContact CD2-CE3 3.94Å; L293-W358 HydrophobicContact CD2-CZ3 4.26Å; N356-W358 PolarHBondContact O-N 2.91Å; N356-W358 VanDerWaalsContact O-N 3.15Å; W358-V360 VanDerWaalsContact C-N 3.3Å; W358-V360 PolarHBondContact O-N 3.29Å; W358-E361 PolarHBondContact O-N 2.83Å; W358-L362 WeakPolarHBondContact O-CB 3.4Å; W358-L362 PolarHBondContact O-N 3.42Å
359D98.9Very high98.3Very high0 Ų047.1 Ų47.10%020%0.204CC..Hα-helixtrans-63.9-35.5169.9-94.227.5000112P202 R205 N263 R264 Q265 T266 N356 Y363P202-D359 HydrophobicContact CB-CB 3.88Å; P202-D359 VanDerWaalsContact CG-C 3.45Å; P202-D359 HydrophobicContact CG-CB 3.82Å; P202-D359 VanDerWaalsContact CG-O 3.29Å; P202-D359 WeakPolarHBondContact CG-O 3.42Å; R205-D359 IonicContact NE-OD2 2.73Å; N263-D359 VanDerWaalsContact CA-CG 3.5Å; N263-D359 VanDerWaalsContact CA-OD1 3.23Å; N263-D359 WeakPolarHBondContact CA-OD1 3.05Å; N263-D359 PolarHBondContact OD1-N 2.79Å; R264-D359 PolarHBondContact N-OD2 3.11Å; Q265-D359 WeakPolarHBondContact CB-OD2 3.34Å; Q265-D359 PolarHBondContact N-OD1 3.08Å; Q265-D359 VanDerWaalsContact N-OD1 3.11Å; Q265-D359 PolarHBondContact N-OD2 2.75Å; Q265-D359 PolarHBondContact NE2-OD2 3.18Å; T266-D359 WeakPolarHBondContact CB-OD1 3.43Å; T266-D359 PolarHBondContact N-OD1 2.7Å; T266-D359 WeakPolarHBondContact OG1-CA 3.41Å; T266-D359 PolarHBondContact OG1-N 3.38Å; T266-D359 PolarHBondContact OG1-OD1 2.79Å; N356-D359 HydrophobicContact CB-CB 4.16Å; N356-D359 WeakPolarHBondContact O-CB 3.42Å; N356-D359 PolarHBondContact O-N 3.24Å; D359-Y363 WeakPolarHBondContact O-CB 3.16Å; D359-Y363 PolarHBondContact O-N 3.47Å
360V98.8Very high98.4Very high40 Ų4044.3 Ų44.324%0.24219%0.191CC..Hα-helixtrans-61.9-50.7174.2171.60000110P202 R353 N356 R357 W358 L362 Y363 E364P202-V360 HydrophobicContact CB-CG2 4.17Å; P202-V360 HydrophobicContact CG-CG2 4.1Å; R353-V360 HydrophobicContact CB-CG2 4.37Å; R353-V360 HydrophobicContact CG-CG2 4.35Å; N356-V360 WeakPolarHBondContact O-CG2 3.39Å; N356-V360 PolarHBondContact O-N 3.1Å; R357-V360 WeakPolarHBondContact O-CB 3.31Å; R357-V360 PolarHBondContact O-N 2.89Å; W358-V360 VanDerWaalsContact C-N 3.3Å; W358-V360 PolarHBondContact O-N 3.29Å; V360-L362 PolarHBondContact O-N 3.36Å; V360-Y363 PolarHBondContact O-N 3.06Å; V360-E364 WeakPolarHBondContact O-CG 2.99Å; V360-E364 PolarHBondContact O-N 3.04Å
361E98.6Very high98.4Very high80 Ų8039.4 Ų39.437%0.37417%0.168SC..Hα-helixtrans-63.9-42.2179-162.8-177144.800112.4L293 K297 R357 W358 Y363 E364 Y365L293-E361 HydrophobicContact CD1-CB 4.5Å; L293-E361 HydrophobicContact CD2-CB 4.07Å; L293-E361 HydrophobicContact CD2-CG 3.94Å; L293-E361 VanDerWaalsContact CD2-OE1 3.22Å; L293-E361 WeakPolarHBondContact CD2-OE1 3.24Å; L293-E361 WeakPolarHBondContact CD2-OE2 3.3Å; K297-E361 IonicContact NZ-OE1 3.73Å; K297-E361 PolarHBondContact NZ-OE1 3.4Å; R357-E361 PolarHBondContact O-N 3.33Å; R357-E361 VanDerWaalsContact O-N 3.1Å; W358-E361 PolarHBondContact O-N 2.83Å; E361-Y363 PolarHBondContact O-N 2.98Å; E361-E364 PolarHBondContact O-N 3.49Å; E361-Y365 WeakPolarHBondContact O-CB 3.31Å; E361-Y365 PolarHBondContact O-N 3.05Å; E361-Y365 VanDerWaalsContact O-N 3.08Å
362L98.9Very high98.4Very high1 Ų134.7 Ų34.71%0.00515%0.151CC..Hα-helixtrans-60.7-44.7174.7179.264.1000111.7Q265 L269 L293 A296 K297 L300 W358 V360 Y365 A366Q265-L362 HydrophobicContact CB-CD2 4.12Å; L269-L362 HydrophobicContact CD1-CD2 3.91Å; L293-L362 HydrophobicContact CD1-CB 3.76Å; L293-L362 HydrophobicContact CD1-CD1 4.49Å; A296-L362 HydrophobicContact CB-CD1 4.09Å; A296-L362 HydrophobicContact CB-CD2 4.16Å; K297-L362 HydrophobicContact CG-CD1 3.93Å; L300-L362 HydrophobicContact CD2-CD1 4.2Å; W358-L362 WeakPolarHBondContact O-CB 3.4Å; W358-L362 PolarHBondContact O-N 3.42Å; V360-L362 PolarHBondContact O-N 3.36Å; L362-Y365 WeakPolarHBondContact O-CB 3.32Å; L362-Y365 PolarHBondContact O-N 3.04Å; L362-A366 VanDerWaalsContact O-CB 3.27Å; L362-A366 WeakPolarHBondContact O-CB 3.37Å; L362-A366 PolarHBondContact O-N 3.08Å
363Y98.8Very high98.3Very high13 Ų1335.1 Ų35.15%0.05115%0.153CC..Hα-helixtrans-69.2-37.1-178.6-175.2-94.9000111.8L199 R200 D201 P202 L308 E310 D359 V360 E361 A366 R367L199-Y363 HydrophobicContact CB-CD2 4.36Å; R200-Y363 VanDerWaalsContact C-CD2 3.44Å; R200-Y363 VanDerWaalsContact O-CD2 3.31Å; R200-Y363 WeakPolarHBondContact O-CD2 3.49Å; D201-Y363 HydrophobicContact CB-CE1 4.25Å; P202-Y363 HydrophobicContact CG-CG 4.44Å; L308-Y363 HydrophobicContact CD2-CE2 3.94Å; E310-Y363 PolarHBondContact OE1-OH 3.48Å; E310-Y363 PolarHBondContact OE2-OH 3.08Å; D359-Y363 WeakPolarHBondContact O-CB 3.16Å; D359-Y363 PolarHBondContact O-N 3.47Å; V360-Y363 PolarHBondContact O-N 3.06Å; E361-Y363 PolarHBondContact O-N 2.98Å; Y363-A366 PolarHBondContact O-N 2.84Å; Y363-R367 HydrophobicContact CE1-CB 4.4Å; Y363-R367 WeakPolarHBondContact O-CB 3.4Å; Y363-R367 PolarHBondContact O-N 2.84Å
364E98.3Very high98.2Very high69 Ų6930 Ų3032%0.32213%0.134SC..Hα-helixtrans-61.2-45.1173-72.4-160.9144.900111.9R82 V360 E361 D368R82-E364 IonicContact CZ-OE1 2.89Å; R82-E364 IonicContact NH1-OE1 3.9Å; R82-E364 PolarHBondContact NH1-OE1 2.96Å; R82-E364 IonicContact NH1-OE2 3.79Å; R82-E364 PolarHBondContact NH1-OE2 3.36Å; V360-E364 WeakPolarHBondContact O-CG 2.99Å; V360-E364 PolarHBondContact O-N 3.04Å; E361-E364 PolarHBondContact O-N 3.49Å; E364-D368 WeakPolarHBondContact O-CB 3.43Å; E364-D368 PolarHBondContact O-N 3.23Å
365Y98.8Very high98Very high26 Ų2626.1 Ų26.110%0.10212%0.115CC..Hα-helixtrans-60.5-48.2173.7177.6-92.5000112.1F83 F85 K297 K301 E361 L362 R367 D368 L369F83-Y365 HydrophobicContact CD1-CD2 4.31Å; F83-Y365 HydrophobicContact CD2-CD2 4.19Å; F83-Y365 HydrophobicContact CE1-CD2 4.34Å; F83-Y365 HydrophobicContact CE2-CD2 4.24Å; F83-Y365 HydrophobicContact CG-CD2 4.24Å; F83-Y365 HydrophobicContact CZ-CD2 4.31Å; F85-Y365 HydrophobicContact CE1-CD2 4.35Å; F85-Y365 HydrophobicContact CE1-CE1 4.38Å; F85-Y365 AromaticContact CE1-CE2 3.52Å; F85-Y365 HydrophobicContact CE1-CE2 3.52Å; F85-Y365 AromaticContact CE1-CZ 3.55Å; F85-Y365 HydrophobicContact CZ-CD2 4.03Å; F85-Y365 AromaticContact CZ-CE2 3.66Å; F85-Y365 HydrophobicContact CZ-CE2 3.66Å; F85-Y365 AromaticContact CZ-CZ 3.93Å; K297-Y365 HydrophobicContact CB-CD1 4.16Å; K297-Y365 HydrophobicContact CB-CE1 3.88Å; K297-Y365 HydrophobicContact CD-CD1 4.41Å; K297-Y365 HydrophobicContact CD-CD2 4.16Å; K297-Y365 HydrophobicContact CD-CE2 4.41Å; K297-Y365 HydrophobicContact CD-CG 4.14Å; K297-Y365 HydrophobicContact CG-CD1 3.8Å; K297-Y365 HydrophobicContact CG-CD2 4.43Å; K297-Y365 HydrophobicContact CG-CE1 4.04Å; K297-Y365 HydrophobicContact CG-CG 3.99Å; K301-Y365 WeakPolarHBondContact CD-OH 3.33Å; E361-Y365 WeakPolarHBondContact O-CB 3.31Å; E361-Y365 PolarHBondContact O-N 3.05Å; E361-Y365 VanDerWaalsContact O-N 3.08Å; L362-Y365 WeakPolarHBondContact O-CB 3.32Å; L362-Y365 PolarHBondContact O-N 3.04Å; Y365-R367 PolarHBondContact O-N 3.32Å; Y365-D368 PolarHBondContact O-N 2.85Å; Y365-L369 HydrophobicContact CE1-CD2 4.35Å; Y365-L369 WeakPolarHBondContact O-CB 3.45Å; Y365-L369 PolarHBondContact O-N 3.09Å
366A98.8Very high97.8Very high0 Ų026.1 Ų26.10%012%0.117CC..Hα-helixtrans-63.4-42.3-179.500000112.2L199 L300 F306 L362 Y363 L369 F370L199-A366 HydrophobicContact CD1-CB 3.61Å; L300-A366 HydrophobicContact CD2-CB 3.57Å; F306-A366 HydrophobicContact CE2-CB 3.98Å; F306-A366 WeakPolarHBondContact CE2-O 3Å; F306-A366 HydrophobicContact CZ-CB 4.34Å; F306-A366 WeakPolarHBondContact CZ-O 3.27Å; L362-A366 VanDerWaalsContact O-CB 3.27Å; L362-A366 WeakPolarHBondContact O-CB 3.37Å; L362-A366 PolarHBondContact O-N 3.08Å; Y363-A366 PolarHBondContact O-N 2.84Å; A366-L369 PolarHBondContact O-N 3.22Å; A366-F370 WeakPolarHBondContact O-CB 3.27Å; A366-F370 PolarHBondContact O-N 3.11Å
367R98.2Very high97.6Very high75 Ų7526.5 Ų26.528%0.28312%0.12SC..Hα-helixtrans-63.5-44.2177.2-174.8-175.865.4-167.3-6.2111.5L308 Y311 Y363 Y365 F370 L371L308-R367 HydrophobicContact CD1-CB 4.18Å; L308-R367 HydrophobicContact CD1-CG 4.22Å; Y311-R367 HydrophobicContact CE2-CG 4.33Å; Y363-R367 HydrophobicContact CE1-CB 4.4Å; Y363-R367 WeakPolarHBondContact O-CB 3.4Å; Y363-R367 PolarHBondContact O-N 2.84Å; Y365-R367 PolarHBondContact O-N 3.32Å; R367-F370 PolarHBondContact O-N 2.8Å; R367-L371 HydrophobicContact CG-CD1 3.89Å; R367-L371 HydrophobicContact CG-CG 4.43Å; R367-L371 WeakPolarHBondContact O-CB 3.5Å; R367-L371 WeakPolarHBondContact O-CG 3.29Å; R367-L371 PolarHBondContact O-N 2.76Å
368D98Very high97.3Very high4 Ų421.6 Ų21.62%0.02110%0.101CC..Hα-helixtrans-61.9-50.3177.4-169.552.6000111.2F79 P81 R82 F83 F85 E364 Y365 F370 L371 Q372F79-D368 WeakPolarHBondContact CZ-OD1 3.41Å; P81-D368 VanDerWaalsContact CA-OD1 3.31Å; P81-D368 WeakPolarHBondContact CA-OD1 3.34Å; R82-D368 PolarHBondContact N-OD1 3.2Å; R82-D368 PolarHBondContact N-OD2 3.21Å; F83-D368 WeakPolarHBondContact CA-OD2 3.27Å; F83-D368 WeakPolarHBondContact CB-OD2 3.1Å; F83-D368 HydrophobicContact CD2-CB 3.88Å; F83-D368 VanDerWaalsContact CD2-OD2 3.28Å; F83-D368 WeakPolarHBondContact CD2-OD2 2.97Å; F83-D368 HydrophobicContact CE2-CB 4.47Å; F83-D368 PolarHBondContact N-OD2 3.41Å; F85-D368 HydrophobicContact CE2-CB 4.38Å; F85-D368 WeakPolarHBondContact CE2-OD2 3.39Å; E364-D368 WeakPolarHBondContact O-CB 3.43Å; E364-D368 PolarHBondContact O-N 3.23Å; Y365-D368 PolarHBondContact O-N 2.85Å; D368-F370 PolarHBondContact O-N 2.78Å; D368-L371 PolarHBondContact O-N 3.4Å; D368-Q372 VanDerWaalsContact CG-NE2 3.34Å; D368-Q372 WeakPolarHBondContact O-CB 3.45Å; D368-Q372 VanDerWaalsContact O-CG 3.32Å; D368-Q372 WeakPolarHBondContact O-CG 3.43Å; D368-Q372 PolarHBondContact O-N 3.09Å; D368-Q372 PolarHBondContact OD1-NE2 2.76Å; D368-Q372 PolarHBondContact OD2-NE2 3.21Å
369L98.6Very high96.9Very high0 Ų026.1 Ų26.10%012%0.124CC..Hα-helixtrans-58.1-46.7176.5178.356.3000112.2F85 L90 K301 F306 Y365 A366 Q372 R373F85-L369 HydrophobicContact CB-CD1 4.47Å; F85-L369 HydrophobicContact CD1-CD1 3.87Å; F85-L369 HydrophobicContact CD2-CB 4.33Å; F85-L369 HydrophobicContact CD2-CD1 3.89Å; F85-L369 HydrophobicContact CE1-CB 4.24Å; F85-L369 HydrophobicContact CE1-CD1 4.03Å; F85-L369 HydrophobicContact CE1-CG 4.49Å; F85-L369 VanDerWaalsContact CE2-CA 3.45Å; F85-L369 HydrophobicContact CE2-CB 3.67Å; F85-L369 HydrophobicContact CE2-CD1 4.06Å; F85-L369 HydrophobicContact CE2-CG 4.46Å; F85-L369 HydrophobicContact CG-CD1 3.8Å; F85-L369 HydrophobicContact CZ-CB 3.63Å; F85-L369 HydrophobicContact CZ-CD1 4.14Å; F85-L369 HydrophobicContact CZ-CG 4.34Å; L90-L369 HydrophobicContact CD2-CD1 3.91Å; K301-L369 HydrophobicContact CB-CD2 4.21Å; K301-L369 HydrophobicContact CG-CD2 4.07Å; F306-L369 HydrophobicContact CE1-CD2 3.83Å; F306-L369 HydrophobicContact CE1-CG 4.23Å; F306-L369 HydrophobicContact CZ-CB 4.3Å; F306-L369 HydrophobicContact CZ-CD2 4.05Å; F306-L369 HydrophobicContact CZ-CG 4.13Å; Y365-L369 HydrophobicContact CE1-CD2 4.35Å; Y365-L369 WeakPolarHBondContact O-CB 3.45Å; Y365-L369 PolarHBondContact O-N 3.09Å; A366-L369 PolarHBondContact O-N 3.22Å; L369-Q372 PolarHBondContact O-N 3.09Å; L369-R373 HydrophobicContact CD1-CG 4.2Å; L369-R373 WeakPolarHBondContact O-CB 3.36Å; L369-R373 VanDerWaalsContact O-CG 3.28Å; L369-R373 WeakPolarHBondContact O-CG 2.97Å; L369-R373 PolarHBondContact O-N 2.9Å
370F98.2Very high96.6Very high1 Ų128.8 Ų28.80%0.00414%0.136CC..Hα-helixtrans-63-46.3-178.3178.3-94000112.4F306 L308 Y311 K314 L318 A366 R367 D368 R373 F374F306-F370 HydrophobicContact CD2-CD2 4.43Å; F306-F370 HydrophobicContact CE2-CB 3.81Å; F306-F370 HydrophobicContact CE2-CD2 4.18Å; F306-F370 HydrophobicContact CE2-CG 4.43Å; F306-F370 HydrophobicContact CZ-CB 4.04Å; F306-F370 WeakPolarHBondContact O-CD2 3.49Å; F306-F370 WeakPolarHBondContact O-CE2 3.22Å; L308-F370 HydrophobicContact CD1-CB 3.81Å; L308-F370 HydrophobicContact CD1-CD1 3.54Å; L308-F370 HydrophobicContact CD1-CD2 4.46Å; L308-F370 HydrophobicContact CD1-CE1 4.2Å; L308-F370 HydrophobicContact CD1-CG 3.69Å; L308-F370 HydrophobicContact CG-CB 4.25Å; L308-F370 HydrophobicContact CG-CD1 3.99Å; L308-F370 HydrophobicContact CG-CD2 4.16Å; L308-F370 HydrophobicContact CG-CE1 4.37Å; L308-F370 HydrophobicContact CG-CG 3.88Å; Y311-F370 HydrophobicContact CD2-CE1 4.34Å; Y311-F370 HydrophobicContact CG-CE1 4.25Å; K314-F370 HydrophobicContact CB-CE1 3.81Å; K314-F370 HydrophobicContact CB-CZ 3.88Å; K314-F370 HydrophobicContact CD-CE1 4.48Å; L318-F370 HydrophobicContact CD1-CD2 3.78Å; L318-F370 HydrophobicContact CD1-CE2 3.54Å; L318-F370 HydrophobicContact CD1-CG 4.38Å; L318-F370 HydrophobicContact CD1-CZ 3.96Å; A366-F370 WeakPolarHBondContact O-CB 3.27Å; A366-F370 PolarHBondContact O-N 3.11Å; R367-F370 PolarHBondContact O-N 2.8Å; D368-F370 PolarHBondContact O-N 2.78Å; F370-R373 WeakPolarHBondContact O-CB 3.01Å; F370-R373 PolarHBondContact O-N 3.12Å; F370-F374 PolarHBondContact O-N 3.33Å
371L97Very high96.3Very high10 Ų1030 Ų305%0.05214%0.139CC..Hα-helixtrans-69.7-36.7-179.8-68.8175.6000111.5L76 F79 Y311 K314 R367 D368 F374 Q375L76-L371 HydrophobicContact CD2-CD2 4.35Å; F79-L371 HydrophobicContact CD1-CB 4.18Å; F79-L371 HydrophobicContact CD2-CB 4.02Å; F79-L371 HydrophobicContact CD2-CD1 3.4Å; F79-L371 VanDerWaalsContact CD2-CD1 3.4Å; F79-L371 HydrophobicContact CD2-CG 4.36Å; F79-L371 HydrophobicContact CE1-CB 3.84Å; F79-L371 HydrophobicContact CE2-CB 3.7Å; F79-L371 HydrophobicContact CE2-CD1 3.47Å; F79-L371 VanDerWaalsContact CE2-CD1 3.47Å; F79-L371 HydrophobicContact CE2-CG 4.21Å; F79-L371 HydrophobicContact CG-CB 4.22Å; F79-L371 HydrophobicContact CG-CD1 4.15Å; F79-L371 HydrophobicContact CZ-CB 3.57Å; F79-L371 HydrophobicContact CZ-CD1 4.25Å; Y311-L371 HydrophobicContact CD1-CD2 4.49Å; Y311-L371 HydrophobicContact CE1-CD2 4.28Å; K314-L371 HydrophobicContact CD-CD2 4Å; R367-L371 HydrophobicContact CG-CD1 3.89Å; R367-L371 HydrophobicContact CG-CG 4.43Å; R367-L371 WeakPolarHBondContact O-CB 3.5Å; R367-L371 WeakPolarHBondContact O-CG 3.29Å; R367-L371 PolarHBondContact O-N 2.76Å; D368-L371 PolarHBondContact O-N 3.4Å; L371-F374 PolarHBondContact O-N 2.03Å; L371-Q375 WeakPolarHBondContact O-CG 3.07Å; L371-Q375 PolarHBondContact O-N 3.16Å
372Q96.8Very high95.9Very high18 Ų1830.2 Ų30.28%0.08414%0.136CC..Hα-helixtrans-64.3-43.7171.6-71.2-172.250.700112.1F79 P81 F83 L90 D368 L369 F374 Q375 V376F79-Q372 HydrophobicContact CE1-CG 3.71Å; F79-Q372 HydrophobicContact CZ-CG 4.08Å; P81-Q372 HydrophobicContact CB-CG 4.35Å; P81-Q372 HydrophobicContact CG-CG 4.25Å; F83-Q372 PolarHBondContact O-NE2 3.1Å; L90-Q372 HydrophobicContact CD1-CB 4.46Å; L90-Q372 HydrophobicContact CD2-CB 3.57Å; D368-Q372 VanDerWaalsContact CG-NE2 3.34Å; D368-Q372 WeakPolarHBondContact O-CB 3.45Å; D368-Q372 VanDerWaalsContact O-CG 3.32Å; D368-Q372 WeakPolarHBondContact O-CG 3.43Å; D368-Q372 PolarHBondContact O-N 3.09Å; D368-Q372 PolarHBondContact OD1-NE2 2.76Å; D368-Q372 PolarHBondContact OD2-NE2 3.21Å; L369-Q372 PolarHBondContact O-N 3.09Å; Q372-F374 VanDerWaalsContact C-N 3.32Å; Q372-F374 PolarHBondContact O-N 3.5Å; Q372-Q375 PolarHBondContact O-N 3.46Å; Q372-V376 WeakPolarHBondContact O-CG2 3.45Å; Q372-V376 PolarHBondContact O-N 3.23Å
373R97.4Very high95.5Very high10 Ų1038.3 Ų38.34%0.03817%0.167CC..Hα-helixtrans-55.2-48.2173.1-78.8179172.9177.32.3111.2D89 L90 K301 F306 L318 L369 F370 V376 A377D89-R373 PolarHBondContact O-NE 3.31Å; D89-R373 PolarHBondContact O-NH2 3.41Å; L90-R373 HydrophobicContact CD2-CG 4.17Å; L90-R373 WeakPolarHBondContact O-CG 3.39Å; K301-R373 PolarHBondContact O-NH2 3.13Å; F306-R373 VanDerWaalsContact CE1-NH1 3.33Å; L318-R373 HydrophobicContact CD1-CB 4.16Å; L318-R373 HydrophobicContact CD2-CB 4.29Å; L369-R373 HydrophobicContact CD1-CG 4.2Å; L369-R373 WeakPolarHBondContact O-CB 3.36Å; L369-R373 VanDerWaalsContact O-CG 3.28Å; L369-R373 WeakPolarHBondContact O-CG 2.97Å; L369-R373 PolarHBondContact O-N 2.9Å; F370-R373 WeakPolarHBondContact O-CB 3.01Å; F370-R373 PolarHBondContact O-N 3.12Å; R373-V376 PolarHBondContact O-N 3.38Å; R373-A377 VanDerWaalsContact O-CB 3.27Å; R373-A377 WeakPolarHBondContact O-CB 3.36Å; R373-A377 PolarHBondContact O-N 3.4Å
374F96Very high95.2Very high0 Ų041.7 Ų41.70%018%0.183CC..Hα-helixtrans-60.8-46.9177.4-177.2-102.3000111.7E72 L76 K314 Y317 L318 F370 L371 Q372 A377 R378E72-F374 HydrophobicContact CB-CE1 4.09Å; E72-F374 HydrophobicContact CB-CZ 3.71Å; L76-F374 HydrophobicContact CD1-CD1 3.44Å; L76-F374 VanDerWaalsContact CD1-CD1 3.44Å; L76-F374 HydrophobicContact CD1-CE1 3.51Å; L76-F374 HydrophobicContact CD2-CD1 4.01Å; L76-F374 HydrophobicContact CG-CD1 4.03Å; L76-F374 HydrophobicContact CG-CE1 4.13Å; K314-F374 HydrophobicContact CB-CD2 3.79Å; K314-F374 HydrophobicContact CB-CE2 3.95Å; K314-F374 HydrophobicContact CB-CG 4.21Å; K314-F374 HydrophobicContact CB-CZ 4.48Å; K314-F374 HydrophobicContact CD-CD1 3.75Å; K314-F374 HydrophobicContact CD-CD2 4.35Å; K314-F374 HydrophobicContact CD-CE1 3.91Å; K314-F374 HydrophobicContact CD-CE2 4.49Å; K314-F374 HydrophobicContact CD-CG 4.02Å; K314-F374 HydrophobicContact CD-CZ 4.3Å; K314-F374 HydrophobicContact CG-CD1 4.11Å; K314-F374 HydrophobicContact CG-CD2 3.95Å; K314-F374 HydrophobicContact CG-CE1 3.95Å; K314-F374 HydrophobicContact CG-CE2 3.79Å; K314-F374 HydrophobicContact CG-CG 4.13Å; K314-F374 HydrophobicContact CG-CZ 3.81Å; Y317-F374 AromaticContact CD1-CD2 3.47Å; Y317-F374 HydrophobicContact CD1-CD2 3.47Å; Y317-F374 VanDerWaalsContact CD1-CD2 3.47Å; Y317-F374 AromaticContact CD1-CE2 3.41Å; Y317-F374 HydrophobicContact CD1-CE2 3.41Å; Y317-F374 VanDerWaalsContact CD1-CE2 3.41Å; Y317-F374 HydrophobicContact CE1-CD2 4.09Å; Y317-F374 HydrophobicContact CE1-CE2 4.08Å; Y317-F374 HydrophobicContact CG-CD2 4.2Å; Y317-F374 AromaticContact CG-CE2 3.72Å; Y317-F374 HydrophobicContact CG-CE2 3.72Å; L318-F374 HydrophobicContact CD1-CB 4.03Å; L318-F374 HydrophobicContact CG-CB 4.32Å; L318-F374 HydrophobicContact CG-CD2 4.23Å; F370-F374 PolarHBondContact O-N 3.33Å; L371-F374 PolarHBondContact O-N 2.03Å; Q372-F374 VanDerWaalsContact C-N 3.32Å; Q372-F374 PolarHBondContact O-N 3.5Å; F374-A377 PolarHBondContact O-N 3Å; F374-R378 HydrophobicContact CD1-CG 4.22Å; F374-R378 HydrophobicContact CD2-CG 4.29Å; F374-R378 HydrophobicContact CE1-CG 3.86Å; F374-R378 HydrophobicContact CE2-CG 3.92Å; F374-R378 HydrophobicContact CG-CG 4.41Å; F374-R378 HydrophobicContact CZ-CG 3.67Å; F374-R378 WeakPolarHBondContact O-CB 3.36Å; F374-R378 WeakPolarHBondContact O-CG 3.38Å; F374-R378 PolarHBondContact O-N 2.96Å
375Q93.6Very high94.8Very high36 Ų3640.3 Ų40.317%0.16818%0.183CC..Hα-helixtrans-58.4-50.9177.4-78.5-179.3-15.500112.4L76 L371 Q372 R378 Q379L76-Q375 HydrophobicContact CB-CG 4.13Å; L76-Q375 HydrophobicContact CD1-CB 4.34Å; L76-Q375 HydrophobicContact CD1-CG 3.4Å; L76-Q375 VanDerWaalsContact CD1-CG 3.4Å; L76-Q375 HydrophobicContact CD2-CG 3.56Å; L76-Q375 HydrophobicContact CG-CG 3.87Å; L76-Q375 PolarHBondContact O-NE2 2.97Å; L371-Q375 WeakPolarHBondContact O-CG 3.07Å; L371-Q375 PolarHBondContact O-N 3.16Å; Q372-Q375 PolarHBondContact O-N 3.46Å; Q375-R378 PolarHBondContact O-N 2.67Å; Q375-Q379 WeakPolarHBondContact O-CB 3.45Å; Q375-Q379 VanDerWaalsContact O-CG 3.29Å; Q375-Q379 WeakPolarHBondContact O-CG 3.34Å; Q375-Q379 PolarHBondContact O-N 3.26Å
376V93.8Very high94.4Very high33 Ų3347 Ų4720%0.221%0.209CC..Hα-helixtrans-61.7-47.9-178.9169.20000110.8L90 N91 Q372 R373 R378 Q379 Q380L90-V376 HydrophobicContact CB-CG2 4.31Å; L90-V376 HydrophobicContact CD1-CG2 3.78Å; N91-V376 WeakPolarHBondContact OD1-CG1 3.23Å; Q372-V376 WeakPolarHBondContact O-CG2 3.45Å; Q372-V376 PolarHBondContact O-N 3.23Å; R373-V376 PolarHBondContact O-N 3.38Å; V376-R378 PolarHBondContact O-N 3.29Å; V376-Q379 PolarHBondContact O-N 2.97Å; V376-Q380 HydrophobicContact CG1-CG 4.37Å; V376-Q380 VanDerWaalsContact CG1-NE2 3.35Å; V376-Q380 WeakPolarHBondContact O-CB 3.12Å; V376-Q380 VanDerWaalsContact O-CG 3.31Å; V376-Q380 WeakPolarHBondContact O-CG 3.44Å; V376-Q380 PolarHBondContact O-N 3.42Å
377A94.3Very high94.2Very high8 Ų850.7 Ų50.77%0.06623%0.226CC..Hα-helixtrans-58-46.2177.500000112Y317 L318 R321 R373 F374 Q379 Q380 E381Y317-A377 HydrophobicContact CE1-CB 3.76Å; Y317-A377 PolarHBondContact OH-O 3.33Å; L318-A377 HydrophobicContact CD2-CB 4.18Å; R321-A377 PolarHBondContact NH1-O 3.34Å; R373-A377 VanDerWaalsContact O-CB 3.27Å; R373-A377 WeakPolarHBondContact O-CB 3.36Å; R373-A377 PolarHBondContact O-N 3.4Å; F374-A377 PolarHBondContact O-N 3Å; A377-Q379 PolarHBondContact O-N 2.71Å; A377-Q380 PolarHBondContact O-N 2.9Å; A377-E381 WeakPolarHBondContact O-CB 3.5Å; A377-E381 PolarHBondContact O-N 3.22Å
378R92.6Very high93.9Very high0 Ų055.6 Ų55.60%024%0.244CC..Hα-helixtrans-65.3-35.5177.5-71.3-68.7-64160-6.3113D67 D73 Y317 F374 Q375 V376 E381 R382D67-R378 IonicContact OD1-CZ 2.75Å; D67-R378 IonicContact OD1-NH1 2.67Å; D67-R378 PolarHBondContact OD1-NH1 2.03Å; D67-R378 IonicContact OD1-NH2 3.25Å; D67-R378 PolarHBondContact OD1-NH2 3.21Å; D67-R378 IonicContact OD2-CZ 2.67Å; D67-R378 VanDerWaalsContact OD2-CZ 3.25Å; D67-R378 IonicContact OD2-NH1 3.82Å; D67-R378 PolarHBondContact OD2-NH1 2.75Å; D67-R378 IonicContact OD2-NH2 3.27Å; D67-R378 PolarHBondContact OD2-NH2 3.36Å; D73-R378 IonicContact OD1-CZ 3.75Å; D73-R378 IonicContact OD1-NE 2.62Å; D73-R378 PolarHBondContact OD1-NE 3.32Å; D73-R378 IonicContact OD1-NH2 3.89Å; D73-R378 PolarHBondContact OD1-NH2 2.96Å; D73-R378 IonicContact OD2-CZ 3.32Å; D73-R378 IonicContact OD2-NE 3Å; D73-R378 IonicContact OD2-NH2 3.28Å; D73-R378 PolarHBondContact OD2-NH2 3.4Å; Y317-R378 HydrophobicContact CE1-CG 3.89Å; Y317-R378 WeakPolarHBondContact OH-CD 2.98Å; F374-R378 HydrophobicContact CD1-CG 4.22Å; F374-R378 HydrophobicContact CD2-CG 4.29Å; F374-R378 HydrophobicContact CE1-CG 3.86Å; F374-R378 HydrophobicContact CE2-CG 3.92Å; F374-R378 HydrophobicContact CG-CG 4.41Å; F374-R378 HydrophobicContact CZ-CG 3.67Å; F374-R378 WeakPolarHBondContact O-CB 3.36Å; F374-R378 WeakPolarHBondContact O-CG 3.38Å; F374-R378 PolarHBondContact O-N 2.96Å; Q375-R378 PolarHBondContact O-N 2.67Å; V376-R378 PolarHBondContact O-N 3.29Å; R378-E381 IonicContact CZ-OE2 3.8Å; R378-E381 IonicContact NH1-OE2 2.9Å; R378-E381 PolarHBondContact NH1-OE2 3.39Å; R378-R382 WeakPolarHBondContact O-CG 3.05Å; R378-R382 PolarHBondContact O-N 2.87Å; R378-R382 PolarHBondContact O-NE 3.12Å
379Q91.3Very high93.6Very high125 Ų12562.3 Ų62.358%0.58427%0.269SS*.Hα-helixtrans-69-43.2175.3-74.2176.16.600111.4Q375 V376 A377 R382 R383Q375-Q379 WeakPolarHBondContact O-CB 3.45Å; Q375-Q379 VanDerWaalsContact O-CG 3.29Å; Q375-Q379 WeakPolarHBondContact O-CG 3.34Å; Q375-Q379 PolarHBondContact O-N 3.26Å; V376-Q379 PolarHBondContact O-N 2.97Å; A377-Q379 PolarHBondContact O-N 2.71Å; Q379-R382 PolarHBondContact O-N 2.86Å; Q379-R383 WeakPolarHBondContact O-CB 3.29Å; Q379-R383 PolarHBondContact O-N 3.37Å
380Q92.2Very high93.3Very high56 Ų5667.4 Ų67.426%0.26229%0.293SS..Hα-helixtrans-61.9-46176.3-73171.4-4.500111.7N91 V376 A377 R382 R383 Q384N91-Q380 PolarHBondContact OD1-NE2 3.14Å; V376-Q380 HydrophobicContact CG1-CG 4.37Å; V376-Q380 VanDerWaalsContact CG1-NE2 3.35Å; V376-Q380 WeakPolarHBondContact O-CB 3.12Å; V376-Q380 VanDerWaalsContact O-CG 3.31Å; V376-Q380 WeakPolarHBondContact O-CG 3.44Å; V376-Q380 PolarHBondContact O-N 3.42Å; A377-Q380 PolarHBondContact O-N 2.9Å; Q380-R382 PolarHBondContact O-N 3.29Å; Q380-R383 PolarHBondContact O-N 2.04Å; Q380-Q384 WeakPolarHBondContact O-CG 3.27Å; Q380-Q384 PolarHBondContact O-N 2.77Å
381E91.6Very high93Very high66 Ų6672.5 Ų72.531%0.30832%0.317SS..Hα-helixtrans-55.6-49.4175.8-169.1173.5-159.400112Y317 A377 R378 R383 Q384 A385Y317-E381 VanDerWaalsContact CE2-OE2 3.26Å; Y317-E381 WeakPolarHBondContact CE2-OE2 3.38Å; Y317-E381 PolarHBondContact OH-OE2 2.68Å; A377-E381 WeakPolarHBondContact O-CB 3.5Å; A377-E381 PolarHBondContact O-N 3.22Å; R378-E381 IonicContact CZ-OE2 3.8Å; R378-E381 IonicContact NH1-OE2 2.9Å; R378-E381 PolarHBondContact NH1-OE2 3.39Å; E381-R383 VanDerWaalsContact C-N 3.32Å; E381-R383 PolarHBondContact O-N 3.08Å; E381-Q384 PolarHBondContact O-N 3.37Å; E381-A385 WeakPolarHBondContact O-CB 3.45Å; E381-A385 PolarHBondContact O-N 2.67Å
382R89.9Confident92.7Very high83 Ų8377.7 Ų77.731%0.31334%0.341SS..Hα-helixtrans-63-39.5178.8-77.7-174.6-94.5-130.3-6.3112.2D73 R378 Q379 Q380 A385 R386D73-R382 VanDerWaalsContact CG-NH2 3.33Å; D73-R382 IonicContact OD1-CZ 3.5Å; D73-R382 IonicContact OD1-NH1 3.47Å; D73-R382 PolarHBondContact OD1-NH1 3.38Å; D73-R382 IonicContact OD1-NH2 2.79Å; D73-R382 PolarHBondContact OD1-NH2 3.25Å; D73-R382 IonicContact OD2-CZ 3.45Å; D73-R382 IonicContact OD2-NH1 2.69Å; D73-R382 PolarHBondContact OD2-NH1 2.96Å; D73-R382 IonicContact OD2-NH2 3.54Å; R378-R382 WeakPolarHBondContact O-CG 3.05Å; R378-R382 PolarHBondContact O-N 2.87Å; R378-R382 PolarHBondContact O-NE 3.12Å; Q379-R382 PolarHBondContact O-N 2.86Å; Q380-R382 PolarHBondContact O-N 3.29Å; R382-A385 PolarHBondContact O-N 3.29Å; R382-R386 WeakPolarHBondContact O-CB 3.26Å; R382-R386 VanDerWaalsContact O-CG 3.24Å; R382-R386 WeakPolarHBondContact O-CG 3.38Å; R382-R386 PolarHBondContact O-N 3.03Å
383R91.7Very high92.4Very high172 Ų17285.7 Ų85.765%0.64937%0.37SS*.Hα-helixtrans-62.6-49.4175.9-178.8178.3171.2178.81110.8Q379 Q380 E381 A385 R386 E387Q379-R383 WeakPolarHBondContact O-CB 3.29Å; Q379-R383 PolarHBondContact O-N 3.37Å; Q380-R383 PolarHBondContact O-N 2.04Å; E381-R383 VanDerWaalsContact C-N 3.32Å; E381-R383 PolarHBondContact O-N 3.08Å; R383-A385 VanDerWaalsContact C-N 3.34Å; R383-A385 PolarHBondContact O-N 3.15Å; R383-R386 WeakPolarHBondContact O-CB 3.2Å; R383-R386 PolarHBondContact O-N 2.77Å; R383-E387 WeakPolarHBondContact CG-OE1 3.18Å; R383-E387 IonicContact CZ-OE1 3.77Å; R383-E387 IonicContact NE-OE1 2.94Å; R383-E387 PolarHBondContact NE-OE1 2.73Å; R383-E387 IonicContact NH2-OE1 3.72Å; R383-E387 WeakPolarHBondContact O-CG 3.36Å; R383-E387 PolarHBondContact O-N 3.22Å
384Q91.7Very high92Very high84 Ų8494 Ų9439%0.39340%0.402SS..Hα-helixtrans-60.1-42.9176.9-70.3172.7-7.500111.8Q380 E381 R386 E387 R388Q380-Q384 WeakPolarHBondContact O-CG 3.27Å; Q380-Q384 PolarHBondContact O-N 2.77Å; E381-Q384 PolarHBondContact O-N 3.37Å; Q384-R386 PolarHBondContact O-N 3.2Å; Q384-E387 PolarHBondContact O-N 3.01Å; Q384-R388 WeakPolarHBondContact O-CG 3.49Å; Q384-R388 PolarHBondContact O-N 3.4Å
385A90.1Very high91.6Very high39 Ų39103.1 Ų103.132%0.32244%0.436SS..Hα-helixtrans-62.9-40.6176.500000112.4E381 R382 R383 R389E381-A385 WeakPolarHBondContact O-CB 3.45Å; E381-A385 PolarHBondContact O-N 2.67Å; R382-A385 PolarHBondContact O-N 3.29Å; R383-A385 VanDerWaalsContact C-N 3.34Å; R383-A385 PolarHBondContact O-N 3.15Å; A385-R389 VanDerWaalsContact O-CG 3.3Å; A385-R389 WeakPolarHBondContact O-CG 3.42Å; A385-R389 PolarHBondContact O-N 2.84Å
386R91.6Very high91.3Very high168 Ų168105.6 Ų105.663%0.63445%0.45SS*.Hα-helixtrans-63.4-45.1174.2-73.7170.7-176.3-1721.8111.4R382 R383 Q384 R389 Q390R382-R386 WeakPolarHBondContact O-CB 3.26Å; R382-R386 VanDerWaalsContact O-CG 3.24Å; R382-R386 WeakPolarHBondContact O-CG 3.38Å; R382-R386 PolarHBondContact O-N 3.03Å; R383-R386 WeakPolarHBondContact O-CB 3.2Å; R383-R386 PolarHBondContact O-N 2.77Å; Q384-R386 PolarHBondContact O-N 3.2Å; R386-R389 PolarHBondContact O-N 2.97Å; R386-Q390 WeakPolarHBondContact O-CG 3.27Å; R386-Q390 PolarHBondContact O-N 3.33Å
387E93.4Very high90.7Very high77 Ų77113.4 Ų113.436%0.3648%0.476SS..Hα-helixtrans-62-44.4178-72.3170.8-17300111.3R383 Q384 Q390 Q391R383-E387 WeakPolarHBondContact CG-OE1 3.18Å; R383-E387 IonicContact CZ-OE1 3.77Å; R383-E387 IonicContact NE-OE1 2.94Å; R383-E387 PolarHBondContact NE-OE1 2.73Å; R383-E387 IonicContact NH2-OE1 3.72Å; R383-E387 WeakPolarHBondContact O-CG 3.36Å; R383-E387 PolarHBondContact O-N 3.22Å; Q384-E387 PolarHBondContact O-N 3.01Å; E387-Q390 PolarHBondContact O-N 3.05Å; E387-Q391 WeakPolarHBondContact O-CG 3.13Å; E387-Q391 PolarHBondContact O-N 3.28Å
388R92.1Very high89.8Confident178 Ų178115.1 Ų115.167%0.67249%0.494SS*.Hα-helixtrans-58.8-48.5174.4-72.6177.5-173.8-173.33.6112.1Q384 Q390 Q391 E392Q384-R388 WeakPolarHBondContact O-CG 3.49Å; Q384-R388 PolarHBondContact O-N 3.4Å; R388-Q390 VanDerWaalsContact C-N 3.3Å; R388-Q390 PolarHBondContact O-N 3.48Å; R388-Q391 PolarHBondContact O-N 2.85Å; R388-E392 WeakPolarHBondContact O-CB 3.42Å; R388-E392 PolarHBondContact O-N 3.29Å
389R91.1Very high88.6Confident144 Ų144123.9 Ų123.954%0.54353%0.528SS..Hα-helixtrans-60.6-38.1176.5-72.1174.7-175.1-177.32.7112.2A385 R386 R393A385-R389 VanDerWaalsContact O-CG 3.3Å; A385-R389 WeakPolarHBondContact O-CG 3.42Å; A385-R389 PolarHBondContact O-N 2.84Å; R386-R389 PolarHBondContact O-N 2.97Å; R389-R393 WeakPolarHBondContact O-CB 3.29Å; R389-R393 VanDerWaalsContact O-CG 3.25Å; R389-R393 WeakPolarHBondContact O-CG 3.23Å; R389-R393 PolarHBondContact O-N 3.03Å
390Q92.4Very high87.1Confident108 Ų108124.6 Ų124.651%0.50553%0.529SS..Hα-helixtrans-67.4-43.2175.9-73.7179.516.100111.9R386 E387 R388 R393 R394R386-Q390 WeakPolarHBondContact O-CG 3.27Å; R386-Q390 PolarHBondContact O-N 3.33Å; E387-Q390 PolarHBondContact O-N 3.05Å; R388-Q390 VanDerWaalsContact C-N 3.3Å; R388-Q390 PolarHBondContact O-N 3.48Å; Q390-R393 PolarHBondContact O-N 3.47Å; Q390-R394 WeakPolarHBondContact O-CG 3.47Å; Q390-R394 PolarHBondContact O-N 2.99Å
391Q91.5Very high85.5Confident107 Ų107126.2 Ų126.250%0.555%0.546SS..Hα-helixtrans-62.7-42.4176.2-72177.83.300111.6E387 R388 R394 R395E387-Q391 WeakPolarHBondContact O-CG 3.13Å; E387-Q391 PolarHBondContact O-N 3.28Å; R388-Q391 PolarHBondContact O-N 2.85Å; Q391-R394 WeakPolarHBondContact O-CB 3.22Å; Q391-R394 PolarHBondContact O-N 3.17Å; Q391-R395 WeakPolarHBondContact O-CG 3.04Å; Q391-R395 PolarHBondContact O-N 3.35Å
392E90.9Very high83.9Confident120 Ų120126.4 Ų126.456%0.56156%0.559SS**Hα-helixtrans-63-45.1176.4-172.2173.3-163.200111.9R388 R394 R395 L396R388-E392 WeakPolarHBondContact O-CB 3.42Å; R388-E392 PolarHBondContact O-N 3.29Å; E392-R394 VanDerWaalsContact C-N 3.3Å; E392-R394 PolarHBondContact O-N 3.14Å; E392-R395 PolarHBondContact O-N 3.06Å; E392-R395 VanDerWaalsContact O-N 3.17Å; E392-L396 HydrophobicContact CG-CD1 4.38Å; E392-L396 WeakPolarHBondContact O-CG 3.33Å; E392-L396 PolarHBondContact O-N 2.93Å
393R90.5Very high82.3Confident186 Ų186130.2 Ų130.270%0.70258%0.578SS**Hα-helixtrans-58.9-39.4173.1-75.4175.6177.7-150-1.6112.5R389 Q390 R397R389-R393 WeakPolarHBondContact O-CB 3.29Å; R389-R393 VanDerWaalsContact O-CG 3.25Å; R389-R393 WeakPolarHBondContact O-CG 3.23Å; R389-R393 PolarHBondContact O-N 3.03Å; Q390-R393 PolarHBondContact O-N 3.47Å; R393-R397 WeakPolarHBondContact O-CG 3.14Å; R393-R397 PolarHBondContact O-N 3.39Å; R393-R397 VanDerWaalsContact O-N 3.07Å
394R90Very high80.5Confident183 Ų183129.8 Ų129.869%0.69158%0.583SS**Hα-helixtrans-65.4-44.2174.8-73.4177.4-177.5-1732111.6Q390 Q391 E392 R397 G398Q390-R394 WeakPolarHBondContact O-CG 3.47Å; Q390-R394 PolarHBondContact O-N 2.99Å; Q391-R394 WeakPolarHBondContact O-CB 3.22Å; Q391-R394 PolarHBondContact O-N 3.17Å; E392-R394 VanDerWaalsContact C-N 3.3Å; E392-R394 PolarHBondContact O-N 3.14Å; R394-R397 PolarHBondContact O-N 2.71Å; R394-G398 PolarHBondContact O-N 2.94Å
395R87.9Confident78.6Confident192 Ų192129 Ų12973%0.72560%0.599SS**Hα-helixtrans-60.5-45176.5-74.5178.7177.6175.8-0111.9Q391 E392 G398 R399Q391-R395 WeakPolarHBondContact O-CG 3.04Å; Q391-R395 PolarHBondContact O-N 3.35Å; E392-R395 PolarHBondContact O-N 3.06Å; E392-R395 VanDerWaalsContact O-N 3.17Å; R395-G398 PolarHBondContact O-N 3.44Å; R395-R399 PolarHBondContact O-N 3.32Å
396L85.9Confident76.6Confident88 Ų88138 Ų13846%0.46162%0.624SS.*Hα-helixtrans-62.5-47.4177.3-70.7169.8000111.5E392 G398 R399 F400E392-L396 HydrophobicContact CG-CD1 4.38Å; E392-L396 WeakPolarHBondContact O-CG 3.33Å; E392-L396 PolarHBondContact O-N 2.93Å; L396-G398 PolarHBondContact O-N 3.31Å; L396-R399 PolarHBondContact O-N 3.01Å; L396-R399 VanDerWaalsContact O-N 3.14Å; L396-F400 VanDerWaalsContact O-CD2 3.22Å; L396-F400 WeakPolarHBondContact O-CD2 3.43Å; L396-F400 PolarHBondContact O-N 2.92Å
397R82.6Confident74.3Confident198 Ų198140.8 Ų140.875%0.74764%0.635SS**Hα-helixtrans-58.4-43.2176-76.4-178.8175.6-172.1-2112.8R393 R394 R399 F400 S401R393-R397 WeakPolarHBondContact O-CG 3.14Å; R393-R397 PolarHBondContact O-N 3.39Å; R393-R397 VanDerWaalsContact O-N 3.07Å; R394-R397 PolarHBondContact O-N 2.71Å; R397-R399 VanDerWaalsContact C-N 3.33Å; R397-R399 PolarHBondContact O-N 3.32Å; R397-F400 PolarHBondContact O-N 3.13Å; R397-S401 PolarHBondContact O-N 3.45Å; R397-S401 VanDerWaalsContact O-N 3.09Å
398G75Confident72.1Confident44 Ų44143.1 Ų143.145%0.45466%0.656SS.*Hα-helixtrans-62.3-37.5175.400000113.2R394 R395 L396 S401 A402R394-G398 PolarHBondContact O-N 2.94Å; R395-G398 PolarHBondContact O-N 3.44Å; L396-G398 PolarHBondContact O-N 3.31Å; G398-S401 PolarHBondContact O-N 3.23Å; G398-A402 PolarHBondContact O-N 2.73Å
399R67.9Low69.7Low184 Ų184145.4 Ų145.469%0.69467%0.665SS**Hα-helixtrans-69.2-34.1177.3-140.9174.1-172.8-177.31.6112.6R395 L396 R397 K403R395-R399 PolarHBondContact O-N 3.32Å; L396-R399 PolarHBondContact O-N 3.01Å; L396-R399 VanDerWaalsContact O-N 3.14Å; R397-R399 VanDerWaalsContact C-N 3.33Å; R397-R399 PolarHBondContact O-N 3.32Å; R399-K403 PolarHBondContact O-N 3.11Å
400F58.8Low67.4Low140 Ų140144.9 Ų144.961%0.61468%0.68SS**Hα-helixtrans-70.3-39.9173.6-83.8-76.7000112.6L396 R397 K403 Q404L396-F400 VanDerWaalsContact O-CD2 3.22Å; L396-F400 WeakPolarHBondContact O-CD2 3.43Å; L396-F400 PolarHBondContact O-N 2.92Å; R397-F400 PolarHBondContact O-N 3.13Å; F400-K403 PolarHBondContact O-N 3.21Å; F400-Q404 PolarHBondContact O-N 2.78Å; F400-Q404 VanDerWaalsContact O-N 3.17Å
401S59Low64.8Low89 Ų89146.2 Ų146.262%0.62270%0.696SS**Hα-helixtrans-63.9-38.4172.7-72.40000112.8R397 G398 Q404 G405R397-S401 PolarHBondContact O-N 3.45Å; R397-S401 VanDerWaalsContact O-N 3.09Å; G398-S401 PolarHBondContact O-N 3.23Å; S401-Q404 PolarHBondContact O-N 2.67Å; S401-G405 PolarHBondContact O-N 2.88Å
402A58.3Low62.3Low71 Ų71149.9 Ų149.959%0.58771%0.713SS**Hα-helixtrans-68.8-31.7176.700000113.6G398G398-A402 PolarHBondContact O-N 2.73Å
403K56.5Low59.7Low162 Ų162150.8 Ų150.870%0.70473%0.727SS**Hα-helixtrans-76.4-31.1176.3-83.1-172.8174.3-174.10113.4R399 F400 G405 R406R399-K403 PolarHBondContact O-N 3.11Å; F400-K403 PolarHBondContact O-N 3.21Å; K403-G405 VanDerWaalsContact C-N 3.28Å; K403-G405 PolarHBondContact O-N 2.77Å; K403-R406 PolarHBondContact O-N 3.46Å
404Q54.3Low56.9Low163 Ų163148.6 Ų148.676%0.76273%0.734SS**Hα-helixtrans-72.4-19.8175.1-78.7-176.5-11.100113.4F400 S401 R406F400-Q404 PolarHBondContact O-N 2.78Å; F400-Q404 VanDerWaalsContact O-N 3.17Å; S401-Q404 PolarHBondContact O-N 2.67Å; Q404-R406 VanDerWaalsContact C-N 3.32Å; Q404-R406 PolarHBondContact O-N 3.37Å
405G51.5Low54.3Low69 Ų69151.3 Ų151.371%0.71174%0.744SS**THydrogen-bonded Turntrans-77.7-4.9174.600000115.7S401 K403S401-G405 PolarHBondContact O-N 2.88Å; K403-G405 VanDerWaalsContact C-N 3.28Å; K403-G405 PolarHBondContact O-N 2.77Å
406R47.5Very low51.6Low227 Ų227147.6 Ų147.686%0.85775%0.748SS**  trans-116.866.2175.8-81.3-175.1174.3-177.5-1.5111.1K403 Q404K403-R406 PolarHBondContact O-N 3.46Å; Q404-R406 VanDerWaalsContact C-N 3.32Å; Q404-R406 PolarHBondContact O-N 3.37Å
407R44.3Very low49Very low227 Ų227150 Ų15086%0.85777%0.766SS**  trans-105.6114.4154.6-87.8-174.9171.5-177.3-2.7107.4R409R407-R409 PolarHBondContact O-N 3.23Å
408P46.3Very low46.6Very low126 Ų126150 Ų15082%0.81878%0.775SS**  trans-63.6133.1168.7-10.825.7000108.4
409R42.3Very low44.6Very low226 Ų226156.5 Ų156.585%0.85379%0.793SS**  trans-61.5140.3166.1-80.3179.8172.9178.5-2.9108.5R407 T411R407-R409 PolarHBondContact O-N 3.23Å; R409-T411 PolarHBondContact O-N 2.92Å; R409-T411 VanDerWaalsContact O-N 3.14Å
410P41.6Very low42.8Very low132 Ų132160 Ų16086%0.85781%0.807SS**  trans-72.3108.1172.329.4-29.7000108.3
411T39Very low41.4Very low136 Ų136164.9 Ų164.983%0.83482%0.821SS**  trans-87.3139.4165.523.60000110R409R409-T411 PolarHBondContact O-N 2.92Å; R409-T411 VanDerWaalsContact O-N 3.14Å
412E38.1Very low40Very low184 Ų184164.3 Ų164.386%0.8682%0.822SS**  trans-54.6146.1-172.6-74.3162.9129.800114.9T414E412-T414 PolarHBondContact O-N 3.2Å
413T37Very low38.7Very low139 Ų139170 Ų17085%0.85384%0.836SS**  trans-45126.5165-3.60000112.5
414T31.2Very low37.4Very low140 Ų140169 Ų16986%0.85984%0.839SS**  trans-132.1121.2149.4-190000108.8E412E412-T414 PolarHBondContact O-N 3.2Å
415R36.3Very low36.1Very low240 Ų240166 Ų16691%0.90684%0.836SS**  trans-71.5134.1172.8-82.7174163.4167.1-6109.5
416S30.2Very low35.1Very low115 Ų115169.2 Ų169.280%0.80484%0.836SS**  trans-153.8120140.959.30000110.3
417T32.3Very low34.2Very low137 Ų137166.7 Ų166.784%0.8483%0.834SS**  trans-50.7139.8162.5310000113
418E31.5Very low33.5Very low198 Ų198161.5 Ų161.593%0.92583%0.832SS**  trans-165.1135.9130.9-114.7174.2171.600112.3
419E32.4Very low32.6Very low181 Ų181163.9 Ų163.985%0.84683%0.833SS**  trans-73.7150.2176.1-60.9168.3130.300111.4
420R31.6Very low31.9Very low259 Ų259160 Ų16098%0.97783%0.834SS**  -173.3156.1126.8-102.3167.5-163.4-161.26.3113.9
421R28.6Very low31.2Very low241 Ų241160.3 Ų160.391%0.90983%0.827SS**  trans-85.8151.2-161.2-107.1175.3172.6158.1-4.5114.8
422A30Very low30.7Very low77 Ų77160.9 Ų160.964%0.63683%0.825SS**  85.8134.2126.600000122.6
423E30.3Very low30.1Very low190 Ų190155.9 Ų155.989%0.88881%0.81SS**  trans69152.5148.3-72.7167.7-174.700119
424D28.4Very low29.5Very low143 Ų143155.5 Ų155.577%0.76580%0.802SS**  cis-173145-31.6-177.420.8000102.9
425S28.4Very low29.3Very low99 Ų99157.8 Ų157.869%0.69280%0.796SS**  trans148.5108.6150.455.10000115.3
426L29.4Very low28.8Very low137 Ų137154.5 Ų154.572%0.71778%0.783SS**  60.2109.5126.3-73.7135.6000121.8
427E28Very low28.6Very low173 Ų173155.2 Ų155.281%0.80878%0.778SS**  61.2113124.3-70.7-179.1169.600120.9
428S29.7Very low28.5Very low119 Ų119155 Ų15583%0.83278%0.776SS**  -155.9129.395.643.40000111.4
429E28.6Very low28.3Very low176 Ų176152.7 Ų152.782%0.82277%0.77SS**  trans-54.9151.6160.1-63.2-178.313100109.6
430V27.4Very low28.3Very low145 Ų145153.9 Ų153.988%0.87978%0.776SS**  -148.3129.378.6173.50000110.9
431L27.7Very low28.2Very low138 Ų138148.6 Ų148.672%0.72377%0.767SS**  trans-91.4150.4172.1-100161.7000111.3
432L26.7Very low28.3Very low148 Ų148142 Ų14278%0.77576%0.758SS**  trans66.8152.3143.6-77.9157.7000116.4
433S25.4Very low28.5Very low79 Ų79144.7 Ų144.755%0.55277%0.767SS**  cis179.6158.8-2.7-165.20000104.1
434D25.8Very low28.6Very low130 Ų130144 Ų14470%0.69577%0.765SS**  trans25.3126.3136.8-69-16.4000118.3
435W27.4Very low28.7Very low189 Ų189145.8 Ų145.872%0.71677%0.769SS**  172.7158.452.8-115.416.3000110.8
436W25.5Very low28.9Very low170 Ų170147.4 Ų147.464%0.64477%0.77SS**  trans81.9125150.3-60.7131.4000125.8
437D26Very low29.3Very low130 Ų130147.5 Ų147.570%0.69576%0.762SS**  44.6115.9126.6-65.3-23.4000120.7
438V28.8Very low29.5Very low132 Ų132145.6 Ų145.680%0.876%0.762SS**  trans-148.4110.1135.3-176.50000110.7
439D27.8Very low29.6Very low151 Ų151142.7 Ų142.781%0.80775%0.752SS**  trans57.185.9143.5-56.1-28.3000122.2
440E32.4Very low29.8Very low205 Ų205140.9 Ų140.996%0.95875%0.748SS**  trans-82.592.4139.3-76-173.5142.800109.7
441N29.8Very low30.1Very low149 Ų149139.2 Ų139.280%0.79774%0.737SS**  trans-168.689.6148.1-154.414.1000112.5
442S30Very low30.1Very low103 Ų103141.8 Ų141.872%0.7275%0.746SS**SBendtrans-176104152.2177.50000108.5
443T34.8Very low30.3Very low133 Ų133142.3 Ų142.382%0.81674%0.744SS**SBendtrans165-4.5149.336.60000113.3E445T443-E445 PolarHBondContact O-N 2.85Å
444M33.3Very low30.4Very low174 Ų174152.3 Ų152.386%0.85777%0.77SS**G310 helixtrans-77.2-18-177.6-168167.6-82.100114.5
445E29.7Very low30.7Very low181 Ų181153.4 Ų153.485%0.84677%0.774SS**G310 helixtrans-89.5-6.3-171.4-73-171.9151.500116.3T443T443-E445 PolarHBondContact O-N 2.85Å
446D32.9Very low30.8Very low134 Ų134151.5 Ų151.572%0.71778%0.777SS**G310 helixtrans-97.93.4-177.2-148.816.1000114.2
447Y38.8Very low31.1Very low139 Ų139150.5 Ų150.555%0.54578%0.784SS.*SBendtrans-94-14.7-175.5-153.6-98.7000114.6A329A329-Y447 HydrophobicContact CB-CE1 4.43Å
448T32.2Very low31.4Very low132 Ų132151.7 Ų151.781%0.8179%0.789SS**SBendtrans-95.7-6.6-177.526.20000114.8
449G31.3Very low31.6Very low59 Ų59152.9 Ų152.961%0.60879%0.788SS**SBendtrans-95.9-14.5-171.600000117.9
450N31.8Very low31.9Very low138 Ų138153.1 Ų153.174%0.73879%0.787SS**SBendtrans-124.225.8-162.5-84.3-35.3000116.2
451V34.4Very low31.8Very low110 Ų110149.4 Ų149.467%0.66778%0.775SS**SBendtrans-98.8-6.2175-171.30000112.9
452E28.4Very low32Very low191 Ų191149.4 Ų149.489%0.89377%0.773SS**SBendtrans-104.12.5-172.8-71.1-150.114200117.8
453Q29.6Very low32.2Very low159 Ų159153.3 Ų153.374%0.74378%0.778SS**  trans-129.6143.2168.4-92.4173.2-16.100110.8
454W28.6Very low31.9Very low289 Ų289155.1 Ų155.1100%1.09577%0.774SS**  trans99.50176.1-46.3104.6000117.9

Retrieved 454 of 454 residues in 652.6 ms (Link to these results)

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