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Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A

Catalytic subunit of the oligosaccharyl transferase (OST) complex that catalyzes the initial transfer of a defined glycan (Glc(3)Man(9)GlcNAc(2) in eukaryotes) from the lipid carrier dolichol-pyrophosphate to an asparagine residue within an Asn-X-Ser/Thr consensus motif in nascent polypeptide chains, the first step in protein N-glycosylation1,2,3,4,5,6. N-glycosylation occurs cotranslationally and the complex associates with the Sec61 complex at the channel-forming translocon complex that mediates protein translocation across the endoplasmic reticulum (ER)7,8,9,10,11,12. All subunits are required for a maximal enzyme activity13,14,15. This subunit contains the active site and the acceptor peptide and donor lipid-linked oligosaccharide (LLO) binding pockets16. STT3A is present in the majority of OST complexes and mediates cotranslational N-glycosylation of most sites on target proteins, while STT3B-containing complexes are required for efficient post-translational glycosylation and mediate glycosylation of sites that have been skipped by STT3A17,18,19. STT3A-containing OST-A complex is also required to prevent hyperglycosylation of some target proteins by preventing glycosylation of facultative sites before folding of target proteins is completed20.

AlphaFold DB , UniProt , Accession P46977, Species HUMAN (Homo sapiens, Human), Gene STT3A, Length 705 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
1M35.3Very low53.2Low244 Ų244155.4 Ų155.4100%1.20276%0.76SS**  01100-70.1161.9149.800106.1
2T35.7Very low55.7Low126 Ų126154.5 Ų154.577%0.77375%0.754SS**  cis-145.3120.66-0.60000103.8F4T2-F4 PolarHBondContact O-N 2.74Å
3K38Very low58Low217 Ų217152.8 Ų152.894%0.94374%0.74SS**  trans-71.691.9179.8-76.6179.8175.31770109G5K3-G5 PolarHBondContact O-N 3.06Å
4F44.9Very low60Low193 Ų193147.8 Ų147.885%0.84672%0.715SS**  trans-73.9108.4160.7-99.5-85.3000108.2T2 F6T2-F4 PolarHBondContact O-N 2.74Å; F4-F6 PolarHBondContact O-N 3.48Å
5G43.9Very low61.9Low80 Ų80141.8 Ų141.883%0.82569%0.688SS**  trans-73.953.8-171.900000115K3 L7K3-G5 PolarHBondContact O-N 3.06Å; G5-L7 PolarHBondContact O-N 3.42Å
6F47.2Very low63.6Low178 Ų178138.3 Ų138.378%0.78168%0.678SS**  trans-89.7100.2170.8-118.9-100.1000110.2F4F4-F6 PolarHBondContact O-N 3.48Å
7L54.8Low65.3Low91 Ų91135 Ų13548%0.47666%0.663SS.*  trans67.2112.1165.6-64.8148.5000117.2G5 L9 Q14 L17G5-L7 PolarHBondContact O-N 3.42Å; L7-L9 HydrophobicContact CB-CB 4.39Å; L7-L9 HydrophobicContact CB-CD1 3.68Å; L7-L9 HydrophobicContact CB-CG 3.95Å; L7-L9 HydrophobicContact CD1-CD1 3.96Å; L7-L9 HydrophobicContact CD2-CD1 3.91Å; L7-L9 HydrophobicContact CD2-CG 4.36Å; L7-L9 HydrophobicContact CG-CD1 4.06Å; L7-L9 PolarHBondContact O-N 3.04Å; L7-Q14 PolarHBondContact O-NE2 3.19Å; L7-L17 HydrophobicContact CD1-CD2 4.07Å
8R58.2Low66.7Low269 Ų269133.1 Ų133.1100%1.01566%0.655SS**  trans-66.348.8162.9-72-174.8176.7-179.5-0112.3
9L67.9Low68.1Low57 Ų57128.7 Ų128.730%0.29863%0.632SS.*  trans-89146.7175.1-76.3165.3000109.5L7 K13 Q14 L17L7-L9 HydrophobicContact CB-CB 4.39Å; L7-L9 HydrophobicContact CB-CD1 3.68Å; L7-L9 HydrophobicContact CB-CG 3.95Å; L7-L9 HydrophobicContact CD1-CD1 3.96Å; L7-L9 HydrophobicContact CD2-CD1 3.91Å; L7-L9 HydrophobicContact CD2-CG 4.36Å; L7-L9 HydrophobicContact CG-CD1 4.06Å; L7-L9 PolarHBondContact O-N 3.04Å; L9-K13 HydrophobicContact CB-CB 4.08Å; L9-K13 HydrophobicContact CD2-CB 3.98Å; L9-K13 HydrophobicContact CD2-CD 3.73Å; L9-Q14 HydrophobicContact CB-CG 3.75Å; L9-L17 HydrophobicContact CD1-CD2 4.14Å
10S78.3Confident69.3Low68 Ų68128.1 Ų128.148%0.47663%0.631SS.*  trans-55.1148.1167.7174.70000109.9E12 K13 Q14S10-E12 PolarHBondContact O-N 3.43Å; S10-K13 WeakPolarHBondContact O-CA 3.42Å; S10-K13 WeakPolarHBondContact O-CB 3.38Å; S10-K13 PolarHBondContact O-N 3.01Å; S10-Q14 PolarHBondContact O-N 3.07Å
11Y80.9Confident70.4Confident186 Ų186125.9 Ų125.973%0.72962%0.622SS**Hα-helixtrans-51.3-40.7178.7-178.6-97.3000112.3K13 Q14 D15Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.1Å; Y11-Q14 PolarHBondContact O-N 3.1Å; Y11-D15 WeakPolarHBondContact O-CB 3.34Å; Y11-D15 PolarHBondContact O-N 3.4Å
12E83.4Confident73.2Confident145 Ų145117 Ų11768%0.67858%0.578SS**Hα-helixtrans-63.8-37.3176.3-64179.5167.800113S10 T16S10-E12 PolarHBondContact O-N 3.43Å; E12-T16 WeakPolarHBondContact O-CB 3.1Å; E12-T16 PolarHBondContact O-N 2.76Å; E12-T16 PolarHBondContact O-OG1 3.34Å
13K85.2Confident76Confident133 Ų133112.2 Ų112.258%0.57855%0.548SS*.Hα-helixtrans-71.4-37.1176.4-68-173.4-180-1770110.9L9 S10 Y11 L17L9-K13 HydrophobicContact CB-CB 4.08Å; L9-K13 HydrophobicContact CD2-CB 3.98Å; L9-K13 HydrophobicContact CD2-CD 3.73Å; S10-K13 WeakPolarHBondContact O-CA 3.42Å; S10-K13 WeakPolarHBondContact O-CB 3.38Å; S10-K13 PolarHBondContact O-N 3.01Å; Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.1Å; K13-L17 VanDerWaalsContact O-CB 3.24Å; K13-L17 WeakPolarHBondContact O-CB 3.49Å; K13-L17 PolarHBondContact O-N 2.96Å
14Q85.7Confident78.6Confident82 Ų82104.6 Ų104.638%0.38352%0.522SS..Hα-helixtrans-64.6-45.6174.8-68.8-179.6-23.800111.3L7 L9 S10 Y11 L17 L18L7-Q14 PolarHBondContact O-NE2 3.19Å; L9-Q14 HydrophobicContact CB-CG 3.75Å; S10-Q14 PolarHBondContact O-N 3.07Å; Y11-Q14 PolarHBondContact O-N 3.1Å; Q14-L17 PolarHBondContact O-N 3.37Å; Q14-L18 WeakPolarHBondContact O-CB 3.32Å; Q14-L18 PolarHBondContact O-N 3.05Å
15D88.8Confident81Confident58 Ų58101.1 Ų101.131%0.3151%0.51SS..Hα-helixtrans-62.5-42.7176173.455.6000112Y11 L18 K19Y11-D15 WeakPolarHBondContact O-CB 3.34Å; Y11-D15 PolarHBondContact O-N 3.4Å; D15-L18 PolarHBondContact O-N 3Å; D15-K19 VanDerWaalsContact CG-NZ 3.28Å; D15-K19 WeakPolarHBondContact O-CB 3.46Å; D15-K19 VanDerWaalsContact O-CG 3.3Å; D15-K19 WeakPolarHBondContact O-CG 3.38Å; D15-K19 PolarHBondContact O-N 3.12Å; D15-K19 WeakPolarHBondContact OD1-CE 3.39Å; D15-K19 IonicContact OD1-NZ 2.66Å; D15-K19 PolarHBondContact OD1-NZ 2.93Å; D15-K19 WeakPolarHBondContact OD2-CE 3.37Å; D15-K19 IonicContact OD2-NZ 3.04Å; D15-K19 PolarHBondContact OD2-NZ 2.77Å
16T89.8Confident83.4Confident86 Ų8697.7 Ų97.753%0.52847%0.473SS..Hα-helixtrans-64.7-43.4175.5-56.60000111.9E12 L18 K19 L20E12-T16 WeakPolarHBondContact O-CB 3.1Å; E12-T16 PolarHBondContact O-N 2.76Å; E12-T16 PolarHBondContact O-OG1 3.34Å; T16-L18 VanDerWaalsContact C-N 3.35Å; T16-K19 PolarHBondContact O-N 3.1Å; T16-L20 WeakPolarHBondContact O-CB 3.21Å; T16-L20 PolarHBondContact O-N 2.94Å
17L91.4Very high85.6Confident82 Ų8290 Ų9043%0.42944%0.442SS..Hα-helixtrans-62.1-43.5177.1-178.966.4000111.2L7 L9 K13 Q14 L20 L21L7-L17 HydrophobicContact CD1-CD2 4.07Å; L9-L17 HydrophobicContact CD1-CD2 4.14Å; K13-L17 VanDerWaalsContact O-CB 3.24Å; K13-L17 WeakPolarHBondContact O-CB 3.49Å; K13-L17 PolarHBondContact O-N 2.96Å; Q14-L17 PolarHBondContact O-N 3.37Å; L17-L20 PolarHBondContact O-N 2.88Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 PolarHBondContact O-N 3.47Å
18L91.5Very high87.5Confident100 Ų10090.4 Ų90.452%0.52445%0.449SS..Hα-helixtrans-62.7-45.5177.6-176.464.8000111.4Q14 D15 T16 L20 L21 I22Q14-L18 WeakPolarHBondContact O-CB 3.32Å; Q14-L18 PolarHBondContact O-N 3.05Å; D15-L18 PolarHBondContact O-N 3Å; T16-L18 VanDerWaalsContact C-N 3.35Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-L20 PolarHBondContact O-N 3.27Å; L18-L21 PolarHBondContact O-N 3.42Å; L18-I22 HydrophobicContact CD1-CD1 4.07Å; L18-I22 HydrophobicContact CD1-CG1 4.39Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 VanDerWaalsContact O-CG1 3.29Å; L18-I22 WeakPolarHBondContact O-CG1 3.2Å; L18-I22 PolarHBondContact O-N 3.14Å
19K92.5Very high89.2Confident51 Ų5181 Ų8122%0.22242%0.418CS..Hα-helixtrans-58.3-45.7175.2-75.9164.8179.9167.30111.8D15 T16 I22 L23 L145D15-K19 VanDerWaalsContact CG-NZ 3.28Å; D15-K19 WeakPolarHBondContact O-CB 3.46Å; D15-K19 VanDerWaalsContact O-CG 3.3Å; D15-K19 WeakPolarHBondContact O-CG 3.38Å; D15-K19 PolarHBondContact O-N 3.12Å; D15-K19 WeakPolarHBondContact OD1-CE 3.39Å; D15-K19 IonicContact OD1-NZ 2.66Å; D15-K19 PolarHBondContact OD1-NZ 2.93Å; D15-K19 WeakPolarHBondContact OD2-CE 3.37Å; D15-K19 IonicContact OD2-NZ 3.04Å; D15-K19 PolarHBondContact OD2-NZ 2.77Å; T16-K19 PolarHBondContact O-N 3.1Å; K19-I22 PolarHBondContact O-N 3.32Å; K19-L23 WeakPolarHBondContact O-CB 3.38Å; K19-L23 VanDerWaalsContact O-CG 3.27Å; K19-L23 WeakPolarHBondContact O-CG 3.39Å; K19-L23 PolarHBondContact O-N 3.47Å; K19-L145 HydrophobicContact CG-CD1 4.13Å
20L92.1Very high90.5Very high115 Ų11578.3 Ų78.360%0.60240%0.404SS*.Hα-helixtrans-65.3-40.7179.7-172.4145.8000111.6T16 L17 L18 L23 S24T16-L20 WeakPolarHBondContact O-CB 3.21Å; T16-L20 PolarHBondContact O-N 2.94Å; L17-L20 PolarHBondContact O-N 2.88Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-L20 PolarHBondContact O-N 3.27Å; L20-L23 PolarHBondContact O-N 2.79Å; L20-S24 WeakPolarHBondContact O-CB 3.34Å; L20-S24 PolarHBondContact O-N 2.93Å; L20-S24 PolarHBondContact O-OG 2.91Å
21L93.7Very high91.2Very high83 Ų8378.4 Ų78.444%0.43540%0.396SS..Hα-helixtrans-66.3-43.1177.5-176.6144.4000112.2L17 L18 S24 M25L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 PolarHBondContact O-N 3.47Å; L18-L21 PolarHBondContact O-N 3.42Å; L21-S24 WeakPolarHBondContact CA-OG 3.18Å; L21-S24 PolarHBondContact O-N 3.49Å; L21-S24 PolarHBondContact O-OG 2.84Å; L21-M25 HydrophobicContact CD2-CG 4.39Å; L21-M25 HydrophobicContact CD2-SD 3.51Å; L21-M25 VanDerWaalsContact CD2-SD 3.51Å; L21-M25 HydrophobicContact CG-SD 4.3Å; L21-M25 WeakPolarHBondContact O-CB 3.23Å; L21-M25 VanDerWaalsContact O-CG 3.25Å; L21-M25 WeakPolarHBondContact O-CG 3.42Å; L21-M25 PolarHBondContact O-N 3.46Å
22I93.6Very high91.8Very high56 Ų5672 Ų7229%0.28738%0.379SS..Hα-helixtrans-64.6-42.6176.8-67.3167000110.4L18 K19 M25 A26 L145L18-I22 HydrophobicContact CD1-CD1 4.07Å; L18-I22 HydrophobicContact CD1-CG1 4.39Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 VanDerWaalsContact O-CG1 3.29Å; L18-I22 WeakPolarHBondContact O-CG1 3.2Å; L18-I22 PolarHBondContact O-N 3.14Å; K19-I22 PolarHBondContact O-N 3.32Å; I22-M25 PolarHBondContact O-N 2.94Å; I22-A26 VanDerWaalsContact O-CB 3.3Å; I22-A26 WeakPolarHBondContact O-CB 3.23Å; I22-A26 PolarHBondContact O-N 3.34Å; I22-L145 HydrophobicContact CB-CD2 4.26Å; I22-L145 HydrophobicContact CD1-CD1 4.02Å; I22-L145 HydrophobicContact CG2-CB 4.4Å; I22-L145 HydrophobicContact CG2-CD2 3.98Å
23L93.4Very high92.3Very high26 Ų2665.6 Ų65.614%0.13635%0.35CS..Hα-helixtrans-67.3-40178.5-72.6171000112.5K19 L20 A26 A27 Y132 L145 A148K19-L23 WeakPolarHBondContact O-CB 3.38Å; K19-L23 VanDerWaalsContact O-CG 3.27Å; K19-L23 WeakPolarHBondContact O-CG 3.39Å; K19-L23 PolarHBondContact O-N 3.47Å; L20-L23 PolarHBondContact O-N 2.79Å; L23-A26 PolarHBondContact O-N 2.83Å; L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 3.46Å; L23-Y132 HydrophobicContact CD1-CD1 3.74Å; L23-Y132 HydrophobicContact CD1-CD2 4.32Å; L23-Y132 HydrophobicContact CD1-CE1 3.74Å; L23-Y132 HydrophobicContact CD1-CE2 4.38Å; L23-Y132 HydrophobicContact CD1-CG 4.03Å; L23-Y132 HydrophobicContact CD2-CD1 4.17Å; L23-Y132 HydrophobicContact CD2-CD2 3.95Å; L23-Y132 HydrophobicContact CD2-CG 3.68Å; L23-Y132 HydrophobicContact CG-CG 4.47Å; L23-L145 HydrophobicContact CD1-CD2 4.31Å; L23-L145 HydrophobicContact CD2-CD2 3.88Å; L23-L145 HydrophobicContact CG-CD2 3.73Å; L23-A148 HydrophobicContact CD2-CB 4.05Å
24S93.7Very high92.7Very high57 Ų5759.3 Ų59.340%0.39932%0.322SS..Hα-helixtrans-66.8-42.1176.265.50000111.3L20 L21 A27 V28L20-S24 WeakPolarHBondContact O-CB 3.34Å; L20-S24 PolarHBondContact O-N 2.93Å; L20-S24 PolarHBondContact O-OG 2.91Å; L21-S24 WeakPolarHBondContact CA-OG 3.18Å; L21-S24 PolarHBondContact O-N 3.49Å; L21-S24 PolarHBondContact O-OG 2.84Å; S24-A27 PolarHBondContact O-N 3.27Å; S24-V28 VanDerWaalsContact O-CG2 3.3Å; S24-V28 WeakPolarHBondContact O-CG2 3.46Å; S24-V28 PolarHBondContact O-N 2.99Å
25M94.8Very high93.1Very high121 Ų12157 Ų5760%0.59631%0.312SS*.Hα-helixtrans-61.8-43.5173.4-73.8-179.369.300112L21 I22 A27 V28 L29L21-M25 HydrophobicContact CD2-CG 4.39Å; L21-M25 HydrophobicContact CD2-SD 3.51Å; L21-M25 VanDerWaalsContact CD2-SD 3.51Å; L21-M25 HydrophobicContact CG-SD 4.3Å; L21-M25 WeakPolarHBondContact O-CB 3.23Å; L21-M25 VanDerWaalsContact O-CG 3.25Å; L21-M25 WeakPolarHBondContact O-CG 3.42Å; L21-M25 PolarHBondContact O-N 3.46Å; I22-M25 PolarHBondContact O-N 2.94Å; M25-A27 VanDerWaalsContact C-N 3.35Å; M25-A27 PolarHBondContact O-N 2.89Å; M25-V28 PolarHBondContact O-N 2.64Å; M25-L29 VanDerWaalsContact O-CB 3.23Å; M25-L29 WeakPolarHBondContact O-CB 3.39Å; M25-L29 PolarHBondContact O-N 2.82Å
26A94.2Very high93.2Very high7 Ų756.8 Ų56.86%0.05831%0.309CS..Hα-helixtrans-63.7-40177.300000111.9I22 L23 L29 S30 T128 A152I22-A26 VanDerWaalsContact O-CB 3.3Å; I22-A26 WeakPolarHBondContact O-CB 3.23Å; I22-A26 PolarHBondContact O-N 3.34Å; L23-A26 PolarHBondContact O-N 2.83Å; A26-L29 PolarHBondContact O-N 2.82Å; A26-S30 WeakPolarHBondContact O-CB 3.46Å; A26-S30 PolarHBondContact O-N 3.43Å; A26-T128 HydrophobicContact CB-CG2 3.84Å; A26-A152 WeakPolarHBondContact O-CB 3.48Å
27A94.1Very high93.1Very high16 Ų1652.7 Ų52.713%0.13228%0.284CS..Hα-helixtrans-64.1-46.1174.700000111.9L23 S24 M25 L29 S30 F31 S125L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 3.46Å; S24-A27 PolarHBondContact O-N 3.27Å; M25-A27 VanDerWaalsContact C-N 3.35Å; M25-A27 PolarHBondContact O-N 2.89Å; A27-L29 VanDerWaalsContact C-N 3.34Å; A27-L29 PolarHBondContact O-N 3.35Å; A27-S30 WeakPolarHBondContact O-CB 3.42Å; A27-S30 PolarHBondContact O-N 2.93Å; A27-F31 PolarHBondContact O-N 3.43Å; A27-S125 PolarHBondContact O-OG 3.3Å
28V95.1Very high93Very high100 Ų10050 Ų5061%0.60627%0.271SS*.Hα-helixtrans-64.5-39.3176.8172.50000111.6S24 M25 S30 F31 S32S24-V28 VanDerWaalsContact O-CG2 3.3Å; S24-V28 WeakPolarHBondContact O-CG2 3.46Å; S24-V28 PolarHBondContact O-N 2.99Å; M25-V28 PolarHBondContact O-N 2.64Å; V28-S30 VanDerWaalsContact C-N 3.33Å; V28-F31 PolarHBondContact O-N 3.34Å; V28-S32 WeakPolarHBondContact O-CB 3.45Å; V28-S32 PolarHBondContact O-N 3.46Å; V28-S32 PolarHBondContact O-OG 3.04Å
29L93.8Very high92.9Very high72 Ų7251.8 Ų51.838%0.37728%0.28SS..Hα-helixtrans-63.2-42.1174.6-175.964000111.1M25 A26 A27 F31 S32 T33 V153M25-L29 VanDerWaalsContact O-CB 3.23Å; M25-L29 WeakPolarHBondContact O-CB 3.39Å; M25-L29 PolarHBondContact O-N 2.82Å; A26-L29 PolarHBondContact O-N 2.82Å; A27-L29 VanDerWaalsContact C-N 3.34Å; A27-L29 PolarHBondContact O-N 3.35Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 3.11Å; L29-S32 WeakPolarHBondContact CA-OG 3.31Å; L29-S32 PolarHBondContact O-N 3.12Å; L29-S32 PolarHBondContact O-OG 2.82Å; L29-T33 HydrophobicContact CD1-CG2 3.97Å; L29-T33 HydrophobicContact CG-CG2 4.3Å; L29-T33 WeakPolarHBondContact O-CB 3.32Å; L29-T33 VanDerWaalsContact O-CG2 3.3Å; L29-T33 WeakPolarHBondContact O-CG2 3.43Å; L29-T33 PolarHBondContact O-N 2.94Å; L29-T33 PolarHBondContact O-OG1 2.79Å; L29-V153 HydrophobicContact CD2-CG1 3.58Å; L29-V153 HydrophobicContact CG-CG1 3.86Å
30S93.8Very high92.5Very high0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-60.8-41176.4-168.20000112A26 A27 V28 T33 R34 S124A26-S30 WeakPolarHBondContact O-CB 3.46Å; A26-S30 PolarHBondContact O-N 3.43Å; A27-S30 WeakPolarHBondContact O-CB 3.42Å; A27-S30 PolarHBondContact O-N 2.93Å; V28-S30 VanDerWaalsContact C-N 3.33Å; S30-T33 PolarHBondContact O-OG1 3.36Å; S30-R34 WeakPolarHBondContact O-CD 3.39Å; S30-R34 PolarHBondContact O-NH1 3.04Å; S30-R34 PolarHBondContact OG-NH1 2.84Å; S30-S124 PolarHBondContact OG-OG 2.94Å
31F94.3Very high92.1Very high70 Ų7049.4 Ų49.431%0.30726%0.263SS..Hα-helixtrans-67.4-51.9175.3-170.4-89.2000112.1A27 V28 L29 T33 R34 L35 F118 P121A27-F31 PolarHBondContact O-N 3.43Å; V28-F31 PolarHBondContact O-N 3.34Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 3.11Å; F31-T33 PolarHBondContact O-N 3.27Å; F31-R34 PolarHBondContact O-N 2.92Å; F31-L35 HydrophobicContact CD1-CD1 3.96Å; F31-L35 HydrophobicContact CD1-CD2 4.48Å; F31-L35 HydrophobicContact CD1-CG 4.41Å; F31-L35 HydrophobicContact CE1-CD1 3.78Å; F31-L35 HydrophobicContact CE1-CD2 4Å; F31-L35 HydrophobicContact CE1-CG 4.3Å; F31-L35 HydrophobicContact CZ-CD2 4.4Å; F31-F118 HydrophobicContact CZ-CD1 4.35Å; F31-P121 HydrophobicContact CD2-CB 3.49Å; F31-P121 VanDerWaalsContact CD2-CB 3.49Å; F31-P121 HydrophobicContact CE2-CB 3.62Å; F31-P121 HydrophobicContact CG-CB 4.15Å; F31-P121 HydrophobicContact CZ-CB 4.37Å
32S93.8Very high91.8Very high53 Ų5350.1 Ų50.137%0.37126%0.264SS..Hα-helixtrans-65.1-38.5-173.252.50000114.1V28 L29 R34 L35V28-S32 WeakPolarHBondContact O-CB 3.45Å; V28-S32 PolarHBondContact O-N 3.46Å; V28-S32 PolarHBondContact O-OG 3.04Å; L29-S32 WeakPolarHBondContact CA-OG 3.31Å; L29-S32 PolarHBondContact O-N 3.12Å; L29-S32 PolarHBondContact O-OG 2.82Å; S32-R34 PolarHBondContact O-N 3.34Å; S32-R34 VanDerWaalsContact O-N 3.15Å; S32-L35 PolarHBondContact O-N 3.47Å
33T92.7Very high91.6Very high10 Ų1049.2 Ų49.26%0.06126%0.262CS..THydrogen-bonded Turntrans-62.1-20.9178.447.90000113.7L29 S30 F31 F36 V153 T479L29-T33 HydrophobicContact CD1-CG2 3.97Å; L29-T33 HydrophobicContact CG-CG2 4.3Å; L29-T33 WeakPolarHBondContact O-CB 3.32Å; L29-T33 VanDerWaalsContact O-CG2 3.3Å; L29-T33 WeakPolarHBondContact O-CG2 3.43Å; L29-T33 PolarHBondContact O-N 2.94Å; L29-T33 PolarHBondContact O-OG1 2.79Å; S30-T33 PolarHBondContact O-OG1 3.36Å; F31-T33 PolarHBondContact O-N 3.27Å; T33-F36 WeakPolarHBondContact O-CD2 3.43Å; T33-F36 WeakPolarHBondContact O-CE2 3.36Å; T33-V153 HydrophobicContact CG2-CG1 4.33Å; T33-T479 VanDerWaalsContact O-CG2 3.24Å; T33-T479 WeakPolarHBondContact O-CG2 3.1Å
34R94.2Very high91.2Very high0 Ų048.9 Ų48.90%026%0.261CS..THydrogen-bonded Turntrans-920.1-178.7-72.5162.7172.473.63.8114.1S30 F31 S32 P121 S124 A152 I158 S161 A163S30-R34 WeakPolarHBondContact O-CD 3.39Å; S30-R34 PolarHBondContact O-NH1 3.04Å; S30-R34 PolarHBondContact OG-NH1 2.84Å; F31-R34 PolarHBondContact O-N 2.92Å; S32-R34 PolarHBondContact O-N 3.34Å; S32-R34 VanDerWaalsContact O-N 3.15Å; R34-P121 HydrophobicContact CB-CB 4.34Å; R34-P121 HydrophobicContact CB-CG 4.01Å; R34-S124 PolarHBondContact NE-OG 2.92Å; R34-S124 PolarHBondContact NH1-OG 2.86Å; R34-S124 PolarHBondContact NH2-OG 2.98Å; R34-A152 PolarHBondContact NH1-O 3.09Å; R34-I158 HydrophobicContact CG-CG2 4.45Å; R34-I158 VanDerWaalsContact NH2-CG1 3.3Å; R34-S161 WeakPolarHBondContact CD-O 3.3Å; R34-S161 PolarHBondContact NE-OG 3.39Å; R34-S161 PolarHBondContact NH2-OG 3.29Å; R34-A163 VanDerWaalsContact O-CB 3.26Å; R34-A163 WeakPolarHBondContact O-CB 3.31Å; R34-A163 PolarHBondContact O-N 3.26Å
35L93.8Very high91Very high33 Ų3346.4 Ų46.417%0.17324%0.244CC..  trans-92.3-3.4-173.5-59.8179.3000114.5F31 S32 A37 V38 L39 F118 A163F31-L35 HydrophobicContact CD1-CD1 3.96Å; F31-L35 HydrophobicContact CD1-CD2 4.48Å; F31-L35 HydrophobicContact CD1-CG 4.41Å; F31-L35 HydrophobicContact CE1-CD1 3.78Å; F31-L35 HydrophobicContact CE1-CD2 4Å; F31-L35 HydrophobicContact CE1-CG 4.3Å; F31-L35 HydrophobicContact CZ-CD2 4.4Å; S32-L35 PolarHBondContact O-N 3.47Å; L35-A37 VanDerWaalsContact C-N 3.28Å; L35-A37 PolarHBondContact O-N 3.45Å; L35-V38 PolarHBondContact O-N 3.27Å; L35-V38 VanDerWaalsContact O-N 3.15Å; L35-L39 HydrophobicContact CB-CD1 4.17Å; L35-L39 HydrophobicContact CB-CG 4.32Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 3.46Å; L35-F118 HydrophobicContact CD2-CD1 4.11Å; L35-F118 HydrophobicContact CD2-CE1 3.9Å; L35-A163 HydrophobicContact CD2-CB 4.07Å
36F91.1Very high90.5Very high54 Ų5441.1 Ų41.124%0.23722%0.218CC..Hα-helixtrans-57.6-37.9-174.8-73.8-71.5000113.6T33 L39 R40 T476 T479 S484T33-F36 WeakPolarHBondContact O-CD2 3.43Å; T33-F36 WeakPolarHBondContact O-CE2 3.36Å; F36-L39 PolarHBondContact O-N 3.32Å; F36-R40 WeakPolarHBondContact O-CB 3.45Å; F36-R40 VanDerWaalsContact O-CG 3.26Å; F36-R40 WeakPolarHBondContact O-CG 3.29Å; F36-R40 PolarHBondContact O-N 2.94Å; F36-T476 HydrophobicContact CE2-CG2 4.43Å; F36-T476 HydrophobicContact CZ-CG2 4.12Å; F36-T479 HydrophobicContact CD2-CG2 3.92Å; F36-T479 HydrophobicContact CE2-CG2 4.3Å; F36-S484 WeakPolarHBondContact CB-OG 3.28Å
37A87.3Confident90.1Very high1 Ų144.4 Ų44.41%0.00823%0.232CC..Hα-helixtrans-64.4-45.7177.700000111.6L35 L39 R40 F41 H46 V162L35-A37 VanDerWaalsContact C-N 3.28Å; L35-A37 PolarHBondContact O-N 3.45Å; A37-L39 PolarHBondContact O-N 2.81Å; A37-R40 PolarHBondContact O-N 3.36Å; A37-F41 WeakPolarHBondContact O-CB 3.35Å; A37-F41 WeakPolarHBondContact O-CD2 3.36Å; A37-F41 PolarHBondContact O-N 3.08Å; A37-H46 WeakPolarHBondContact CB-NE2 3.26Å; A37-V162 HydrophobicContact CB-CG1 3.93Å
38V89.5Confident89.7Confident26 Ų2645.9 Ų45.916%0.15824%0.235CC..Hα-helixtrans-67.8-36.1178.8178.30000112L35 V117 F118 A163L35-V38 PolarHBondContact O-N 3.27Å; L35-V38 VanDerWaalsContact O-N 3.15Å; V38-V117 HydrophobicContact CG2-CG1 3.97Å; V38-F118 HydrophobicContact CG1-CE1 4.38Å; V38-F118 HydrophobicContact CG1-CZ 4.25Å; V38-A163 HydrophobicContact CG2-CB 3.61Å
39L88.6Confident89.5Confident137 Ų13743.4 Ų43.472%0.71722%0.219SC*.Hα-helixtrans-73.7-33179.2-70.8172.9000113.3L35 F36 A37L35-L39 HydrophobicContact CB-CD1 4.17Å; L35-L39 HydrophobicContact CB-CG 4.32Å; L35-L39 WeakPolarHBondContact O-CG 3.25Å; L35-L39 PolarHBondContact O-N 3.46Å; F36-L39 PolarHBondContact O-N 3.32Å; A37-L39 PolarHBondContact O-N 2.81Å
40R85Confident89.4Confident75 Ų7540 Ų4028%0.28320%0.201SC..Hα-helixtrans-84.5-32-179-73.1173.9172.4-162.3-3.5112.8F36 A37 S480 E481F36-R40 WeakPolarHBondContact O-CB 3.45Å; F36-R40 VanDerWaalsContact O-CG 3.26Å; F36-R40 WeakPolarHBondContact O-CG 3.29Å; F36-R40 PolarHBondContact O-N 2.94Å; A37-R40 PolarHBondContact O-N 3.36Å; R40-S480 PolarHBondContact NH1-O 3.34Å; R40-S480 PolarHBondContact NH2-O 2.8Å; R40-S480 PolarHBondContact NH2-OG 3.22Å; R40-E481 IonicContact CZ-OE1 2.8Å; R40-E481 IonicContact NH1-OE1 2.67Å; R40-E481 IonicContact NH2-OE1 3.11Å; R40-E481 PolarHBondContact NH2-OE1 2.88Å
41F84.4Confident89.3Confident41 Ų4140.8 Ų40.818%0.1820%0.204CC..SBendtrans-121.4-126.8-175.8-57.6-81.8000109.2A37 P486 V489A37-F41 WeakPolarHBondContact O-CB 3.35Å; A37-F41 WeakPolarHBondContact O-CD2 3.36Å; A37-F41 PolarHBondContact O-N 3.08Å; F41-P486 HydrophobicContact CB-CG 4.43Å; F41-P486 HydrophobicContact CD1-CG 4.02Å; F41-P486 VanDerWaalsContact CD2-CD 3.44Å; F41-P486 HydrophobicContact CD2-CG 3.64Å; F41-P486 HydrophobicContact CE1-CG 4.12Å; F41-P486 HydrophobicContact CE2-CG 3.77Å; F41-P486 HydrophobicContact CG-CG 3.78Å; F41-P486 HydrophobicContact CZ-CG 4Å; F41-V489 HydrophobicContact CD1-CG1 4.37Å
42E86.7Confident89.3Confident98 Ų9837.9 Ų37.946%0.45819%0.191SC..  trans-121.8161.1-179.2-66.3171.2-166.400109.8V44 R506E42-V44 HydrophobicContact CB-CG1 3.92Å; E42-V44 HydrophobicContact CB-CG2 4.48Å; E42-V44 PolarHBondContact O-N 2.97Å; E42-R506 IonicContact OE1-NH1 2.89Å; E42-R506 IonicContact OE1-NH2 2.66Å; E42-R506 IonicContact OE2-CZ 3.17Å; E42-R506 IonicContact OE2-NH1 3.41Å; E42-R506 PolarHBondContact OE2-NH1 3.09Å; E42-R506 IonicContact OE2-NH2 3.8Å
43S88.3Confident89.3Confident36 Ų3635.7 Ų35.725%0.25218%0.175SC..SBendtrans-73.972.8169.260.90000110.3
44V86Confident89.3Confident19 Ų1937.1 Ų37.112%0.11518%0.18CC..  trans-117.3159.2177.7-64.60000110.6E42 H46 G164E42-V44 HydrophobicContact CB-CG1 3.92Å; E42-V44 HydrophobicContact CB-CG2 4.48Å; E42-V44 PolarHBondContact O-N 2.97Å; V44-H46 PolarHBondContact O-CE1 3.45Å; V44-G164 WeakPolarHBondContact O-CA 3.19Å
45I89.8Confident89.3Confident6 Ų638.9 Ų38.93%0.03119%0.186CC..  trans-71.9145.1173.4-66.7165.9000108.2P50 Y51 Y54 V117 G164 I488I45-P50 HydrophobicContact CG2-CB 3.35Å; I45-Y51 HydrophobicContact CB-CE1 4.29Å; I45-Y51 HydrophobicContact CG2-CD2 4.37Å; I45-Y51 HydrophobicContact CG2-CE1 4.46Å; I45-Y51 HydrophobicContact CG2-CE2 4.21Å; I45-Y51 PolarHBondContact O-OH 3.05Å; I45-Y51 VanDerWaalsContact O-OH 3.07Å; I45-Y54 HydrophobicContact CD1-CD1 3.63Å; I45-Y54 HydrophobicContact CD1-CD2 3.59Å; I45-Y54 HydrophobicContact CD1-CE1 4.35Å; I45-Y54 HydrophobicContact CD1-CE2 4.33Å; I45-Y54 HydrophobicContact CD1-CG 3.18Å; I45-V117 HydrophobicContact CG1-CG2 4.33Å; I45-G164 WeakPolarHBondContact CA-O 3.45Å; I45-I488 WeakPolarHBondContact O-CD1 3.43Å
46H84.7Confident89.2Confident10 Ų1037.3 Ų37.35%0.04618%0.178CC..  trans-115.1165.7178.7-56.5-37000110.2A37 V44 P50 A163 G164 P486A37-H46 WeakPolarHBondContact CB-NE2 3.26Å; V44-H46 PolarHBondContact O-CE1 3.45Å; H46-P50 WeakPolarHBondContact O-CB 3.16Å; H46-P50 WeakPolarHBondContact O-CD 3.49Å; H46-P50 WeakPolarHBondContact O-CG 3.39Å; H46-A163 PolarHBondContact CD2-O 2.73Å; H46-A163 VanDerWaalsContact CD2-O 3.31Å; H46-A163 PolarHBondContact NE2-O 2.86Å; H46-G164 PolarHBondContact N-O 3.06Å; H46-P486 WeakPolarHBondContact ND1-CB 3.33Å
47E85.2Confident89.4Confident75 Ų7534.7 Ų34.735%0.3517%0.167SC..SBendtrans64.9178-178.6-62.4-61.8154.300114.2P50 Y51 S487E47-P50 HydrophobicContact CB-CG 4.19Å; E47-Y51 WeakPolarHBondContact O-CD2 3.21Å; E47-Y51 WeakPolarHBondContact O-CE2 3.42Å; E47-S487 VanDerWaalsContact CA-OG 3.32Å; E47-S487 WeakPolarHBondContact CA-OG 3.43Å; E47-S487 PolarHBondContact N-OG 3.39Å
48F86.8Confident89.7Confident48 Ų4839.8 Ų39.821%0.21119%0.186CC..SBendtrans-86.1-49.5-178.1-55.3-83.5000112.1Y51 D527 Y528 Y530 Q531 N544F48-Y51 PolarHBondContact O-N 2.9Å; F48-D527 WeakPolarHBondContact CD1-O 3.45Å; F48-Y528 HydrophobicContact CD1-CD1 4.46Å; F48-Y528 AromaticContact CE1-CD1 3.85Å; F48-Y528 HydrophobicContact CE1-CD1 3.85Å; F48-Y528 HydrophobicContact CE1-CE1 4.19Å; F48-Y530 WeakPolarHBondContact O-CB 2.91Å; F48-Q531 VanDerWaalsContact CD1-CD 3.45Å; F48-Q531 HydrophobicContact CD1-CG 4.01Å; F48-N544 VanDerWaalsContact CB-ND2 3.34Å; F48-N544 WeakPolarHBondContact CB-ND2 3.37Å
49D89.3Confident89.8Confident48 Ų4841 Ų4126%0.25719%0.189SC..Hα-helixtrans-58-42.5-177-69.1-19000114.7Y51 F52D49-Y51 PolarHBondContact O-N 2.84Å; D49-Y51 VanDerWaalsContact O-N 3.09Å; D49-F52 PolarHBondContact O-N 3.19Å; D49-F52 VanDerWaalsContact O-N 3.17Å
50P92.2Very high90.1Very high0 Ų034.8 Ų34.80%016%0.156CC..Hα-helixtrans-61.5-20.7-177.7-33.444.3000115.7I45 H46 E47 N53 Y54 Y166 D167I45-P50 HydrophobicContact CG2-CB 3.35Å; H46-P50 WeakPolarHBondContact O-CB 3.16Å; H46-P50 WeakPolarHBondContact O-CD 3.49Å; H46-P50 WeakPolarHBondContact O-CG 3.39Å; E47-P50 HydrophobicContact CB-CG 4.19Å; P50-N53 PolarHBondContact O-N 2.85Å; P50-Y54 WeakPolarHBondContact O-CB 3.37Å; P50-Y54 PolarHBondContact O-N 2.99Å; P50-Y166 WeakPolarHBondContact CA-O 3.2Å; P50-Y166 WeakPolarHBondContact CB-O 3.26Å; P50-D167 HydrophobicContact CG-CB 4.29Å
51Y92.1Very high90.4Very high16 Ų1632.1 Ų32.16%0.06315%0.15CC..Hα-helixtrans-65.6-37.8176.5-81.4-75.6000113I45 E47 F48 D49 Y54 R55 I488 Q531 A534 M535I45-Y51 HydrophobicContact CB-CE1 4.29Å; I45-Y51 HydrophobicContact CG2-CD2 4.37Å; I45-Y51 HydrophobicContact CG2-CE1 4.46Å; I45-Y51 HydrophobicContact CG2-CE2 4.21Å; I45-Y51 PolarHBondContact O-OH 3.05Å; I45-Y51 VanDerWaalsContact O-OH 3.07Å; E47-Y51 WeakPolarHBondContact O-CD2 3.21Å; E47-Y51 WeakPolarHBondContact O-CE2 3.42Å; F48-Y51 PolarHBondContact O-N 2.9Å; D49-Y51 PolarHBondContact O-N 2.84Å; D49-Y51 VanDerWaalsContact O-N 3.09Å; Y51-Y54 PolarHBondContact O-N 3.07Å; Y51-R55 WeakPolarHBondContact O-CB 3.03Å; Y51-R55 PolarHBondContact O-N 2.7Å; Y51-I488 HydrophobicContact CE2-CD1 3.81Å; Y51-I488 HydrophobicContact CE2-CG1 4.08Å; Y51-I488 WeakPolarHBondContact OH-CD1 3.26Å; Y51-I488 WeakPolarHBondContact OH-CG1 3.3Å; Y51-Q531 HydrophobicContact CD2-CG 3.69Å; Y51-Q531 HydrophobicContact CE2-CG 4.03Å; Y51-Q531 HydrophobicContact CG-CG 4.31Å; Y51-A534 HydrophobicContact CD1-CB 3.71Å; Y51-A534 HydrophobicContact CG-CB 4.15Å; Y51-M535 HydrophobicContact CD1-CE 4.35Å; Y51-M535 HydrophobicContact CD1-CG 4.47Å; Y51-M535 HydrophobicContact CE1-CE 3.35Å; Y51-M535 HydrophobicContact CE1-CG 4.12Å; Y51-M535 HydrophobicContact CE2-CE 4.02Å; Y51-M535 WeakPolarHBondContact OH-CE 3.39Å
52F93.1Very high90.7Very high10 Ų1035.8 Ų35.84%0.04417%0.168CC..Hα-helixtrans-66.2-46173.8175.1-105.5000111.6D49 Y54 R55 T56 I84 I88 Y530D49-F52 PolarHBondContact O-N 3.19Å; D49-F52 VanDerWaalsContact O-N 3.17Å; F52-Y54 VanDerWaalsContact C-N 3.28Å; F52-Y54 PolarHBondContact O-N 2.84Å; F52-R55 PolarHBondContact O-N 3.49Å; F52-T56 HydrophobicContact CD1-CG2 4.39Å; F52-T56 HydrophobicContact CD2-CG2 4.19Å; F52-T56 HydrophobicContact CE1-CG2 4.05Å; F52-T56 HydrophobicContact CE2-CG2 3.8Å; F52-T56 HydrophobicContact CG-CG2 4.46Å; F52-T56 HydrophobicContact CZ-CG2 3.73Å; F52-T56 WeakPolarHBondContact O-CB 3.49Å; F52-T56 VanDerWaalsContact O-CG2 3.26Å; F52-T56 WeakPolarHBondContact O-CG2 3.5Å; F52-T56 PolarHBondContact O-N 2.87Å; F52-T56 PolarHBondContact O-OG1 3.25Å; F52-I84 HydrophobicContact CE2-CD1 3.72Å; F52-I84 HydrophobicContact CZ-CD1 3.87Å; F52-I88 HydrophobicContact CD1-CD1 4.34Å; F52-I88 HydrophobicContact CE1-CD1 3.37Å; F52-I88 HydrophobicContact CE1-CG1 3.9Å; F52-I88 HydrophobicContact CZ-CD1 3.73Å; F52-I88 HydrophobicContact CZ-CG1 4.41Å; F52-Y530 HydrophobicContact CB-CD1 3.53Å; F52-Y530 HydrophobicContact CB-CD2 3.64Å; F52-Y530 HydrophobicContact CB-CE1 3.53Å; F52-Y530 HydrophobicContact CB-CE2 3.64Å; F52-Y530 HydrophobicContact CB-CG 3.59Å; F52-Y530 HydrophobicContact CD1-CE1 4.32Å; F52-Y530 AromaticContact CD2-CD1 3.94Å; F52-Y530 HydrophobicContact CD2-CD1 3.94Å; F52-Y530 AromaticContact CD2-CE1 3.48Å; F52-Y530 HydrophobicContact CD2-CE1 3.48Å; F52-Y530 VanDerWaalsContact CD2-CE1 3.48Å; F52-Y530 HydrophobicContact CE2-CE1 4.27Å; F52-Y530 AromaticContact CG-CD1 3.98Å; F52-Y530 HydrophobicContact CG-CD1 3.98Å; F52-Y530 AromaticContact CG-CE1 3.52Å; F52-Y530 HydrophobicContact CG-CE1 3.52Å; F52-Y530 HydrophobicContact CG-CE2 4.13Å; F52-Y530 HydrophobicContact CG-CG 4.48Å; F52-Y530 AromaticContact CG-CZ 3.61Å
53N94Very high90.9Very high6 Ų635.2 Ų35.23%0.03217%0.165CC..Hα-helixtrans-60.2-41177.4-64.3-24.2000110.7P50 T56 T57 L92 M93 Y166P50-N53 PolarHBondContact O-N 2.85Å; N53-T56 VanDerWaalsContact C-OG1 3.31Å; N53-T56 VanDerWaalsContact CA-OG1 3.31Å; N53-T56 WeakPolarHBondContact CA-OG1 3.43Å; N53-T56 PolarHBondContact O-OG1 2.83Å; N53-T57 WeakPolarHBondContact O-CB 3.39Å; N53-T57 PolarHBondContact O-N 2.93Å; N53-T57 PolarHBondContact O-OG1 3.04Å; N53-L92 HydrophobicContact CB-CD2 3.96Å; N53-M93 HydrophobicContact CB-CE 4.07Å; N53-M93 VanDerWaalsContact OD1-CE 3.28Å; N53-M93 WeakPolarHBondContact OD1-CE 3.46Å; N53-Y166 HydrophobicContact CB-CD1 3.48Å; N53-Y166 VanDerWaalsContact CB-CD1 3.48Å; N53-Y166 HydrophobicContact CB-CE1 3.52Å; N53-Y166 PolarHBondContact ND2-O 3.39Å
54Y93.5Very high91.1Very high40 Ų4034.8 Ų34.816%0.15717%0.167CC..Hα-helixtrans-67.5-44.5176.5168.5-110.3000113.1I45 P50 Y51 F52 T56 T57 R58 I112 R113 C116I45-Y54 HydrophobicContact CD1-CD1 3.63Å; I45-Y54 HydrophobicContact CD1-CD2 3.59Å; I45-Y54 HydrophobicContact CD1-CE1 4.35Å; I45-Y54 HydrophobicContact CD1-CE2 4.33Å; I45-Y54 HydrophobicContact CD1-CG 3.18Å; P50-Y54 WeakPolarHBondContact O-CB 3.37Å; P50-Y54 PolarHBondContact O-N 2.99Å; Y51-Y54 PolarHBondContact O-N 3.07Å; F52-Y54 VanDerWaalsContact C-N 3.28Å; F52-Y54 PolarHBondContact O-N 2.84Å; Y54-T56 VanDerWaalsContact C-N 3.3Å; Y54-T56 PolarHBondContact O-N 3.45Å; Y54-T57 PolarHBondContact O-N 3.2Å; Y54-R58 WeakPolarHBondContact O-CB 3.3Å; Y54-R58 PolarHBondContact O-N 2.9Å; Y54-I112 HydrophobicContact CE2-CG2 4.27Å; Y54-R113 HydrophobicContact CE2-CB 3.84Å; Y54-R113 HydrophobicContact CE2-CG 4.26Å; Y54-C116 HydrophobicContact CD2-CB 4.39Å
55R93.4Very high91.3Very high37 Ų3738.6 Ų38.614%0.1418%0.182CC..Hα-helixtrans-58.9-44.2177.3-179.8177.5173.2-132.1-4.8111.3Y51 F52 R58 F59 W71 D73Y51-R55 WeakPolarHBondContact O-CB 3.03Å; Y51-R55 PolarHBondContact O-N 2.7Å; F52-R55 PolarHBondContact O-N 3.49Å; R55-R58 PolarHBondContact O-N 3.27Å; R55-F59 PolarHBondContact O-N 3.33Å; R55-W71 HydrophobicContact CG-CH2 4.48Å; R55-D73 IonicContact CZ-OD1 3.51Å; R55-D73 IonicContact CZ-OD2 3.51Å; R55-D73 IonicContact NH1-OD1 3.8Å; R55-D73 IonicContact NH1-OD2 3.89Å; R55-D73 PolarHBondContact NH1-OD2 2.86Å; R55-D73 VanDerWaalsContact NH2-CG 3.29Å; R55-D73 IonicContact NH2-OD1 3.28Å; R55-D73 PolarHBondContact NH2-OD1 3.48Å; R55-D73 IonicContact NH2-OD2 3.22Å; R55-D73 PolarHBondContact NH2-OD2 3.49Å
56T93Very high91.3Very high0 Ų047.2 Ų47.20%022%0.215CC..Hα-helixtrans-67.7-41.2178.152.20000112.2F52 N53 Y54 F59 L60 W71 I84 I88F52-T56 HydrophobicContact CD1-CG2 4.39Å; F52-T56 HydrophobicContact CD2-CG2 4.19Å; F52-T56 HydrophobicContact CE1-CG2 4.05Å; F52-T56 HydrophobicContact CE2-CG2 3.8Å; F52-T56 HydrophobicContact CG-CG2 4.46Å; F52-T56 HydrophobicContact CZ-CG2 3.73Å; F52-T56 WeakPolarHBondContact O-CB 3.49Å; F52-T56 VanDerWaalsContact O-CG2 3.26Å; F52-T56 WeakPolarHBondContact O-CG2 3.5Å; F52-T56 PolarHBondContact O-N 2.87Å; F52-T56 PolarHBondContact O-OG1 3.25Å; N53-T56 VanDerWaalsContact C-OG1 3.31Å; N53-T56 VanDerWaalsContact CA-OG1 3.31Å; N53-T56 WeakPolarHBondContact CA-OG1 3.43Å; N53-T56 PolarHBondContact O-OG1 2.83Å; Y54-T56 VanDerWaalsContact C-N 3.3Å; Y54-T56 PolarHBondContact O-N 3.45Å; T56-F59 PolarHBondContact O-N 3.26Å; T56-L60 WeakPolarHBondContact O-CB 3.29Å; T56-L60 PolarHBondContact O-N 2.97Å; T56-W71 HydrophobicContact CG2-CH2 4.44Å; T56-W71 HydrophobicContact CG2-CZ3 3.73Å; T56-I84 HydrophobicContact CG2-CG2 4.04Å; T56-I88 HydrophobicContact CG2-CD1 3.74Å
57T94.2Very high91.6Very high0 Ų052.6 Ų52.60%024%0.238CC..Hα-helixtrans-64.5-40.2173.8-65.10000112.5N53 Y54 L60 A61 M93 I112 Y166N53-T57 WeakPolarHBondContact O-CB 3.39Å; N53-T57 PolarHBondContact O-N 2.93Å; N53-T57 PolarHBondContact O-OG1 3.04Å; Y54-T57 PolarHBondContact O-N 3.2Å; T57-L60 PolarHBondContact O-N 2.94Å; T57-A61 WeakPolarHBondContact O-CB 3.43Å; T57-A61 PolarHBondContact O-N 2.95Å; T57-M93 WeakPolarHBondContact OG1-CA 3.44Å; T57-M93 WeakPolarHBondContact OG1-CB 3.33Å; T57-M93 VanDerWaalsContact OG1-CG 3.27Å; T57-M93 WeakPolarHBondContact OG1-CG 3.14Å; T57-I112 HydrophobicContact CG2-CD1 3.9Å; T57-I112 HydrophobicContact CG2-CG1 4.02Å; T57-Y166 PolarHBondContact OG1-OH 2.87Å
58R93.3Very high91.9Very high108 Ų10849.1 Ų49.141%0.40822%0.222SC..Hα-helixtrans-61.4-47.9175.1-178.9179.7175-170.9-4.1111Y54 R55 L60 A61 E62Y54-R58 WeakPolarHBondContact O-CB 3.3Å; Y54-R58 PolarHBondContact O-N 2.9Å; R55-R58 PolarHBondContact O-N 3.27Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-L60 PolarHBondContact O-N 3.24Å; R58-A61 PolarHBondContact O-N 3.47Å; R58-E62 HydrophobicContact CG-CG 4.48Å; R58-E62 WeakPolarHBondContact CG-OE1 3.5Å; R58-E62 IonicContact CZ-OE1 3.23Å; R58-E62 IonicContact NE-OE1 3.54Å; R58-E62 PolarHBondContact NE-OE1 3.39Å; R58-E62 IonicContact NE-OE2 2.88Å; R58-E62 IonicContact NH2-OE1 3.73Å; R58-E62 PolarHBondContact NH2-OE1 2.99Å; R58-E62 WeakPolarHBondContact O-CG 3.41Å; R58-E62 PolarHBondContact O-N 3.16Å
59F92.9Very high92.1Very high50 Ų5050.3 Ų50.322%0.21923%0.228CC..Hα-helixtrans-59.6-42.7175.9-171.8-93.4000111.9R55 T56 A61 E62 E63 K67 F68 W71R55-F59 PolarHBondContact O-N 3.33Å; T56-F59 PolarHBondContact O-N 3.26Å; F59-A61 VanDerWaalsContact C-N 3.34Å; F59-A61 PolarHBondContact O-N 3.26Å; F59-E62 PolarHBondContact O-N 2.83Å; F59-E63 HydrophobicContact CD1-CB 4.41Å; F59-E63 HydrophobicContact CD2-CG 4.08Å; F59-E63 HydrophobicContact CE1-CB 4.13Å; F59-E63 HydrophobicContact CE1-CG 4.35Å; F59-E63 HydrophobicContact CE2-CB 4.42Å; F59-E63 HydrophobicContact CE2-CG 3.75Å; F59-E63 HydrophobicContact CZ-CB 4.13Å; F59-E63 HydrophobicContact CZ-CG 3.9Å; F59-E63 WeakPolarHBondContact O-CB 3.36Å; F59-E63 PolarHBondContact O-N 2.93Å; F59-K67 HydrophobicContact CE1-CB 4.41Å; F59-F68 HydrophobicContact CD1-CB 4.34Å; F59-F68 HydrophobicContact CD1-CD2 4.31Å; F59-W71 HydrophobicContact CB-CE3 4.46Å; F59-W71 HydrophobicContact CB-CZ3 4.21Å; F59-W71 AromaticContact CD1-CD2 3.93Å; F59-W71 HydrophobicContact CD1-CD2 3.93Å; F59-W71 AromaticContact CD1-CE3 3.79Å; F59-W71 HydrophobicContact CD1-CE3 3.79Å; F59-W71 HydrophobicContact CD1-CG 4.25Å; F59-W71 HydrophobicContact CD1-CZ3 4.37Å; F59-W71 HydrophobicContact CE1-CB 3.91Å; F59-W71 AromaticContact CE1-CD2 3.88Å; F59-W71 HydrophobicContact CE1-CD2 3.88Å; F59-W71 HydrophobicContact CE1-CE3 4.19Å; F59-W71 AromaticContact CE1-CG 3.72Å; F59-W71 HydrophobicContact CE1-CG 3.72Å; F59-W71 HydrophobicContact CE2-CD2 4.49Å; F59-W71 HydrophobicContact CG-CD2 4.25Å; F59-W71 HydrophobicContact CG-CE3 4.09Å; F59-W71 HydrophobicContact CG-CZ3 4.26Å; F59-W71 HydrophobicContact CZ-CB 4.42Å; F59-W71 AromaticContact CZ-CD1 3.93Å; F59-W71 HydrophobicContact CZ-CD2 4.17Å; F59-W71 AromaticContact CZ-CG 3.93Å; F59-W71 HydrophobicContact CZ-CG 3.93Å
60L93.6Very high92.2Very high7 Ų754.1 Ų54.14%0.03725%0.249CC..Hα-helixtrans-61.1-40.3176177.265.1000112.6T56 T57 R58 G64 F65 F68 M93 I94 A97T56-L60 WeakPolarHBondContact O-CB 3.29Å; T56-L60 PolarHBondContact O-N 2.97Å; T57-L60 PolarHBondContact O-N 2.94Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-L60 PolarHBondContact O-N 3.24Å; L60-G64 VanDerWaalsContact O-CA 3.26Å; L60-G64 WeakPolarHBondContact O-CA 3.46Å; L60-G64 PolarHBondContact O-N 3.45Å; L60-G64 VanDerWaalsContact O-N 3.1Å; L60-F65 HydrophobicContact CD1-CB 4.24Å; L60-F65 HydrophobicContact CD1-CD2 4.12Å; L60-F68 HydrophobicContact CB-CB 4.32Å; L60-F68 HydrophobicContact CB-CD2 4.04Å; L60-F68 HydrophobicContact CB-CG 4.12Å; L60-F68 HydrophobicContact CD1-CB 3.62Å; L60-F68 HydrophobicContact CD1-CD1 3.9Å; L60-F68 HydrophobicContact CD1-CG 3.75Å; L60-F68 HydrophobicContact CG-CG 4.44Å; L60-M93 HydrophobicContact CD2-CB 3.82Å; L60-I94 HydrophobicContact CD2-CG1 4.31Å; L60-A97 HydrophobicContact CD2-CB 3.7Å; L60-A97 HydrophobicContact CG-CB 4Å
61A91.4Very high92.2Very high19 Ų1955.4 Ų55.416%0.15725%0.253CS..Hα-helixtrans-72.4-34-179.800000113.1T57 R58 F59 Y100 I112T57-A61 WeakPolarHBondContact O-CB 3.43Å; T57-A61 PolarHBondContact O-N 2.95Å; R58-A61 PolarHBondContact O-N 3.47Å; F59-A61 VanDerWaalsContact C-N 3.34Å; F59-A61 PolarHBondContact O-N 3.26Å; A61-Y100 HydrophobicContact CB-CD1 4.25Å; A61-Y100 HydrophobicContact CB-CE1 4.25Å; A61-I112 HydrophobicContact CB-CD1 4.33Å; A61-I112 HydrophobicContact CB-CG1 4.37Å
62E91.3Very high92.2Very high119 Ų11960 Ų6056%0.55627%0.274SS*.Hα-helixtrans-84-47-178.7-69.9173.7178.400112.4R58 F59R58-E62 HydrophobicContact CG-CG 4.48Å; R58-E62 WeakPolarHBondContact CG-OE1 3.5Å; R58-E62 IonicContact CZ-OE1 3.23Å; R58-E62 IonicContact NE-OE1 3.54Å; R58-E62 PolarHBondContact NE-OE1 3.39Å; R58-E62 IonicContact NE-OE2 2.88Å; R58-E62 IonicContact NH2-OE1 3.73Å; R58-E62 PolarHBondContact NH2-OE1 2.99Å; R58-E62 WeakPolarHBondContact O-CG 3.41Å; R58-E62 PolarHBondContact O-N 3.16Å; F59-E62 PolarHBondContact O-N 2.83Å
63E91.3Very high92.1Very high85 Ų8559.5 Ų59.540%0.39727%0.272SS..Hα-helixtrans-98.9-19.1-171.3-67.9-65.7153.500113.7F59 K67F59-E63 HydrophobicContact CD1-CB 4.41Å; F59-E63 HydrophobicContact CD2-CG 4.08Å; F59-E63 HydrophobicContact CE1-CB 4.13Å; F59-E63 HydrophobicContact CE1-CG 4.35Å; F59-E63 HydrophobicContact CE2-CB 4.42Å; F59-E63 HydrophobicContact CE2-CG 3.75Å; F59-E63 HydrophobicContact CZ-CB 4.13Å; F59-E63 HydrophobicContact CZ-CG 3.9Å; F59-E63 WeakPolarHBondContact O-CB 3.36Å; F59-E63 PolarHBondContact O-N 2.93Å; E63-K67 HydrophobicContact CB-CB 4Å; E63-K67 HydrophobicContact CB-CD 3.82Å; E63-K67 HydrophobicContact CG-CD 4.43Å; E63-K67 WeakPolarHBondContact O-CD 3.24Å; E63-K67 WeakPolarHBondContact OE2-CD 3.43Å; E63-K67 WeakPolarHBondContact OE2-CE 3.31Å; E63-K67 IonicContact OE2-NZ 3.81Å; E63-K67 PolarHBondContact OE2-NZ 2.97Å
64G91.5Very high92Very high27 Ų2764.2 Ų64.228%0.27830%0.297SS..  trans88.2173.1-179.800000115L60 F68L60-G64 VanDerWaalsContact O-CA 3.26Å; L60-G64 WeakPolarHBondContact O-CA 3.46Å; L60-G64 PolarHBondContact O-N 3.45Å; L60-G64 VanDerWaalsContact O-N 3.1Å; G64-F68 WeakPolarHBondContact O-CB 3.41Å; G64-F68 PolarHBondContact O-N 3.4Å; G64-F68 VanDerWaalsContact O-N 3.1Å
65F90.2Very high91.9Very high99 Ų9966 Ų6643%0.43430%0.303SS..Hα-helixtrans-65.1-44.6-166.7-177.7-101.1000115.1L60 K67 F68 H69 I94L60-F65 HydrophobicContact CD1-CB 4.24Å; L60-F65 HydrophobicContact CD1-CD2 4.12Å; F65-K67 PolarHBondContact O-N 3.12Å; F65-F68 WeakPolarHBondContact O-CB 3.41Å; F65-F68 PolarHBondContact O-N 2.9Å; F65-H69 PolarHBondContact O-N 2.84Å; F65-I94 HydrophobicContact CD2-CG1 4.46Å; F65-I94 HydrophobicContact CE2-CD1 3.81Å; F65-I94 HydrophobicContact CE2-CG1 4.16Å
66Y91.2Very high91.7Very high188 Ų18864.2 Ų64.274%0.73730%0.297SS*.Hα-helixtrans-68.5-36.6-176.6-68.7-74.5000112.7H69 N70Y66-H69 PolarHBondContact O-N 3.41Å; Y66-N70 PolarHBondContact O-N 3.25Å; Y66-N70 PolarHBondContact O-ND2 3.43Å
67K91.3Very high91.7Very high122 Ų12264.2 Ų64.253%0.5330%0.297SS..Hα-helixtrans-67.7-41.7173.9-74.3-175.7176.1174.20110.9F59 E63 F65 H69 N70 W71F59-K67 HydrophobicContact CE1-CB 4.41Å; E63-K67 HydrophobicContact CB-CB 4Å; E63-K67 HydrophobicContact CB-CD 3.82Å; E63-K67 HydrophobicContact CG-CD 4.43Å; E63-K67 WeakPolarHBondContact O-CD 3.24Å; E63-K67 WeakPolarHBondContact OE2-CD 3.43Å; E63-K67 WeakPolarHBondContact OE2-CE 3.31Å; E63-K67 IonicContact OE2-NZ 3.81Å; E63-K67 PolarHBondContact OE2-NZ 2.97Å; F65-K67 PolarHBondContact O-N 3.12Å; K67-H69 PolarHBondContact O-N 3.22Å; K67-N70 CarbonylContact O-C 3.57Å; K67-N70 PolarHBondContact O-N 3.06Å; K67-W71 WeakPolarHBondContact O-CB 3.16Å; K67-W71 PolarHBondContact O-N 3.45Å
68F91.4Very high91.6Very high3 Ų367 Ų671%0.01331%0.307CS..Hα-helixtrans-58.8-44.7173.3172.6-100.8000112.7F59 L60 G64 F65 N70 W71 I84 I88 P90F59-F68 HydrophobicContact CD1-CB 4.34Å; F59-F68 HydrophobicContact CD1-CD2 4.31Å; L60-F68 HydrophobicContact CB-CB 4.32Å; L60-F68 HydrophobicContact CB-CD2 4.04Å; L60-F68 HydrophobicContact CB-CG 4.12Å; L60-F68 HydrophobicContact CD1-CB 3.62Å; L60-F68 HydrophobicContact CD1-CD1 3.9Å; L60-F68 HydrophobicContact CD1-CG 3.75Å; L60-F68 HydrophobicContact CG-CG 4.44Å; G64-F68 WeakPolarHBondContact O-CB 3.41Å; G64-F68 PolarHBondContact O-N 3.4Å; G64-F68 VanDerWaalsContact O-N 3.1Å; F65-F68 WeakPolarHBondContact O-CB 3.41Å; F65-F68 PolarHBondContact O-N 2.9Å; F68-N70 VanDerWaalsContact C-N 3.32Å; F68-N70 PolarHBondContact O-N 3.46Å; F68-W71 HydrophobicContact CD2-CE3 4.4Å; F68-W71 VanDerWaalsContact O-CB 3.3Å; F68-W71 WeakPolarHBondContact O-CB 3.35Å; F68-W71 PolarHBondContact O-N 3.1Å; F68-I84 HydrophobicContact CE2-CG2 4.13Å; F68-I88 HydrophobicContact CZ-CD1 4.49Å; F68-I88 HydrophobicContact CZ-CG2 4.06Å; F68-P90 HydrophobicContact CE1-CB 4.16Å
69H89.6Confident91.5Very high73 Ų7365.8 Ų65.834%0.33831%0.314SS..Hα-helixtrans-64.4-36.2-179.9-168.177.6000112.9F65 Y66 K67 W71 G85 S255F65-H69 PolarHBondContact O-N 2.84Å; Y66-H69 PolarHBondContact O-N 3.41Å; K67-H69 PolarHBondContact O-N 3.22Å; H69-W71 VanDerWaalsContact C-N 3.35Å; H69-G85 WeakPolarHBondContact O-CA 3.43Å; H69-S255 PolarHBondContact CE1-OG 2.85Å
70N91.8Very high91.5Very high127 Ų12767.1 Ų67.168%0.67932%0.323SS*.THydrogen-bonded Turntrans-95.714.9179.1-64.2-32.8000113Y66 K67 F68 F72Y66-N70 PolarHBondContact O-N 3.25Å; Y66-N70 PolarHBondContact O-ND2 3.43Å; K67-N70 CarbonylContact O-C 3.57Å; K67-N70 PolarHBondContact O-N 3.06Å; F68-N70 VanDerWaalsContact C-N 3.32Å; F68-N70 PolarHBondContact O-N 3.46Å; N70-F72 PolarHBondContact O-N 3.36Å
71W92.2Very high91.4Very high27 Ų2767.2 Ų67.210%0.10233%0.326CS..  trans-73.9116.4-174.2-177.826.2000111.4R55 T56 F59 K67 F68 H69 D73 I84R55-W71 HydrophobicContact CG-CH2 4.48Å; T56-W71 HydrophobicContact CG2-CH2 4.44Å; T56-W71 HydrophobicContact CG2-CZ3 3.73Å; F59-W71 HydrophobicContact CB-CE3 4.46Å; F59-W71 HydrophobicContact CB-CZ3 4.21Å; F59-W71 AromaticContact CD1-CD2 3.93Å; F59-W71 HydrophobicContact CD1-CD2 3.93Å; F59-W71 AromaticContact CD1-CE3 3.79Å; F59-W71 HydrophobicContact CD1-CE3 3.79Å; F59-W71 HydrophobicContact CD1-CG 4.25Å; F59-W71 HydrophobicContact CD1-CZ3 4.37Å; F59-W71 HydrophobicContact CE1-CB 3.91Å; F59-W71 AromaticContact CE1-CD2 3.88Å; F59-W71 HydrophobicContact CE1-CD2 3.88Å; F59-W71 HydrophobicContact CE1-CE3 4.19Å; F59-W71 AromaticContact CE1-CG 3.72Å; F59-W71 HydrophobicContact CE1-CG 3.72Å; F59-W71 HydrophobicContact CE2-CD2 4.49Å; F59-W71 HydrophobicContact CG-CD2 4.25Å; F59-W71 HydrophobicContact CG-CE3 4.09Å; F59-W71 HydrophobicContact CG-CZ3 4.26Å; F59-W71 HydrophobicContact CZ-CB 4.42Å; F59-W71 AromaticContact CZ-CD1 3.93Å; F59-W71 HydrophobicContact CZ-CD2 4.17Å; F59-W71 AromaticContact CZ-CG 3.93Å; F59-W71 HydrophobicContact CZ-CG 3.93Å; K67-W71 WeakPolarHBondContact O-CB 3.16Å; K67-W71 PolarHBondContact O-N 3.45Å; F68-W71 HydrophobicContact CD2-CE3 4.4Å; F68-W71 VanDerWaalsContact O-CB 3.3Å; F68-W71 WeakPolarHBondContact O-CB 3.35Å; F68-W71 PolarHBondContact O-N 3.1Å; H69-W71 VanDerWaalsContact C-N 3.35Å; W71-D73 HydrophobicContact CZ2-CB 3.86Å; W71-I84 HydrophobicContact CB-CB 4.38Å; W71-I84 HydrophobicContact CD2-CB 4.14Å; W71-I84 HydrophobicContact CD2-CG1 3.8Å; W71-I84 HydrophobicContact CE3-CB 3.73Å; W71-I84 HydrophobicContact CE3-CG1 3.59Å; W71-I84 HydrophobicContact CE3-CG2 3.66Å; W71-I84 HydrophobicContact CG-CB 4.47Å; W71-I84 HydrophobicContact CG-CG1 4.36Å; W71-I84 HydrophobicContact CH2-CG1 4.28Å; W71-I84 HydrophobicContact CZ2-CG1 4.48Å; W71-I84 HydrophobicContact CZ3-CB 4.29Å; W71-I84 HydrophobicContact CZ3-CD1 4.49Å; W71-I84 HydrophobicContact CZ3-CG1 3.86Å; W71-I84 HydrophobicContact CZ3-CG2 3.97Å; W71-I84 PolarHBondContact O-N 2.86Å
72F92.7Very high91.4Very high112 Ų11266.8 Ų66.849%0.49132%0.32SS..EExtended strand (participates in β ladder)trans-97.4115.7163.9-178.3-103.5000108.7N70 D74 I83N70-F72 PolarHBondContact O-N 3.36Å; F72-D74 HydrophobicContact CE1-CB 4.4Å; F72-I83 HydrophobicContact CD2-CG1 3.84Å; F72-I83 HydrophobicContact CE2-CG1 4.27Å
73D91.3Very high91.5Very high1 Ų166.1 Ų66.11%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-90.6106.9178.7-17321.6000109.8R55 W71 R75 A76 G81 R82 I84R55-D73 IonicContact CZ-OD1 3.51Å; R55-D73 IonicContact CZ-OD2 3.51Å; R55-D73 IonicContact NH1-OD1 3.8Å; R55-D73 IonicContact NH1-OD2 3.89Å; R55-D73 PolarHBondContact NH1-OD2 2.86Å; R55-D73 VanDerWaalsContact NH2-CG 3.29Å; R55-D73 IonicContact NH2-OD1 3.28Å; R55-D73 PolarHBondContact NH2-OD1 3.48Å; R55-D73 IonicContact NH2-OD2 3.22Å; R55-D73 PolarHBondContact NH2-OD2 3.49Å; W71-D73 HydrophobicContact CZ2-CB 3.86Å; D73-R75 VanDerWaalsContact C-N 3.31Å; D73-R75 PolarHBondContact OD1-N 3.04Å; D73-A76 WeakPolarHBondContact OD2-CB 3.39Å; D73-G81 WeakPolarHBondContact O-CA 3.27Å; D73-R82 PolarHBondContact N-O 3.32Å; D73-R82 PolarHBondContact O-N 3.17Å; D73-I84 HydrophobicContact CB-CD1 4Å; D73-I84 HydrophobicContact CB-CG1 3.77Å
74D90.8Very high91.4Very high104 Ų10462 Ų6256%0.55630%0.3SS*.SBendtrans-81.5-10.7176.862-16.2000112.8F72F72-D74 HydrophobicContact CE1-CB 4.4Å
75R90.9Very high91.2Very high77 Ų7761.1 Ų61.129%0.29129%0.291SS..SBendtrans-88.5-11.5180-56.4-171.6179.8-156.7-11.7113.8D73 T533 N537 T539 I540D73-R75 VanDerWaalsContact C-N 3.31Å; D73-R75 PolarHBondContact OD1-N 3.04Å; R75-T533 HydrophobicContact CB-CG2 4.35Å; R75-N537 VanDerWaalsContact NH1-CG 3.28Å; R75-N537 PolarHBondContact NH1-ND2 2.83Å; R75-N537 PolarHBondContact NH1-OD1 2.67Å; R75-T539 CarbonylContact O-C 3.58Å; R75-T539 VanDerWaalsContact O-CA 3.24Å; R75-T539 WeakPolarHBondContact O-CA 3.49Å; R75-I540 PolarHBondContact O-N 3.49Å
76A90.8Very high91.2Very high0 Ų057.7 Ų57.70%028%0.283CS..SBendtrans-115.1149.3177.600000110.5D73 Y78 G81 I540D73-A76 WeakPolarHBondContact OD2-CB 3.39Å; A76-Y78 PolarHBondContact O-N 2.81Å; A76-G81 VanDerWaalsContact O-CA 3.24Å; A76-G81 WeakPolarHBondContact O-CA 3.45Å; A76-I540 HydrophobicContact CB-CD1 4.43Å; A76-I540 HydrophobicContact CB-CG1 4.34Å
77W92.6Very high91.1Very high0 Ų050.9 Ų50.90%026%0.261CS..SBendtrans57.842.2179.4-70.188.7000114P79 L80 G81 I540 L541 V542 D543 N545 W547 N548 H551 I552W77-P79 CarbonylContact O-C 3.49Å; W77-L80 HydrophobicContact CB-CB 4.46Å; W77-L80 HydrophobicContact CE3-CD1 4.41Å; W77-L80 WeakPolarHBondContact O-CA 3.17Å; W77-L80 WeakPolarHBondContact O-CB 3.26Å; W77-L80 PolarHBondContact O-N 3.21Å; W77-G81 PolarHBondContact O-N 2.99Å; W77-I540 PolarHBondContact N-O 3.08Å; W77-L541 WeakPolarHBondContact CA-O 3.17Å; W77-V542 HydrophobicContact CZ3-CG1 4.45Å; W77-D543 HydrophobicContact CZ2-CB 4.07Å; W77-N545 WeakPolarHBondContact CZ2-O 3.43Å; W77-W547 HydrophobicContact CB-CZ2 4.25Å; W77-W547 AromaticContact CD1-NE1 3.39Å; W77-W547 AromaticContact CD2-CE2 3.72Å; W77-W547 AromaticContact CD2-CZ2 3.95Å; W77-W547 HydrophobicContact CD2-CZ2 3.95Å; W77-W547 AromaticContact CD2-NE1 3.14Å; W77-W547 AromaticContact CE2-CD1 3.5Å; W77-W547 AromaticContact CE2-NE1 3.06Å; W77-W547 AromaticContact CE3-CE2 3.97Å; W77-W547 AromaticContact CE3-CZ2 4Å; W77-W547 HydrophobicContact CE3-CZ2 4Å; W77-W547 AromaticContact CE3-NE1 3.8Å; W77-W547 HydrophobicContact CG-CZ2 4.03Å; W77-W547 AromaticContact CG-NE1 3.4Å; W77-W547 AromaticContact CZ2-CD1 3.74Å; W77-W547 AromaticContact CZ2-NE1 3.72Å; W77-W547 AromaticContact NE1-CD1 3.6Å; W77-W547 AromaticContact NE1-NE1 3.14Å; W77-W547 VanDerWaalsContact NE1-NE1 3.14Å; W77-N548 HydrophobicContact CE3-CB 4.37Å; W77-N548 HydrophobicContact CH2-CB 4.44Å; W77-N548 HydrophobicContact CZ3-CB 3.82Å; W77-H551 AromaticContact CE3-CD2 3.75Å; W77-H551 HydrophobicContact CZ3-CB 4.03Å; W77-H551 AromaticContact CZ3-CD2 3.91Å; W77-I552 HydrophobicContact CH2-CD1 4.02Å; W77-I552 HydrophobicContact CH2-CG1 3.87Å; W77-I552 HydrophobicContact CZ3-CG1 4.39Å
78Y92.1Very high91Very high58 Ų5845.6 Ų45.623%0.22724%0.238CC..THydrogen-bonded Turntrans-59.9132.8174.3-175.4-93.1000110.6A76 K521 T539 I540 H551 L573 D574A76-Y78 PolarHBondContact O-N 2.81Å; Y78-K521 HydrophobicContact CD1-CG 4.22Å; Y78-K521 HydrophobicContact CE1-CG 4.38Å; Y78-K521 HydrophobicContact CG-CG 4.34Å; Y78-T539 HydrophobicContact CD2-CG2 4.17Å; Y78-T539 HydrophobicContact CG-CG2 4.13Å; Y78-I540 PolarHBondContact N-O 3.48Å; Y78-H551 PolarHBondContact O-NE2 3.06Å; Y78-L573 WeakPolarHBondContact CE1-O 2.88Å; Y78-D574 HydrophobicContact CE1-CB 4.03Å; Y78-D574 PolarHBondContact OH-OD2 2.71Å
79P90.8Very high91.1Very high83 Ų8347.1 Ų47.154%0.53925%0.245SC..THydrogen-bonded Turncis-94.55.96.237-36.8000115.8W77W77-P79 CarbonylContact O-C 3.49Å
80L91.8Very high91.2Very high79 Ų7944.7 Ų44.741%0.41424%0.235SC..THydrogen-bonded Turntrans-76.3-39.4-173.9-60.7156000113.3W77 W547W77-L80 HydrophobicContact CB-CB 4.46Å; W77-L80 HydrophobicContact CE3-CD1 4.41Å; W77-L80 WeakPolarHBondContact O-CA 3.17Å; W77-L80 WeakPolarHBondContact O-CB 3.26Å; W77-L80 PolarHBondContact O-N 3.21Å; L80-W547 HydrophobicContact CB-CH2 4.31Å; L80-W547 HydrophobicContact CB-CZ2 4.36Å; L80-W547 HydrophobicContact CD1-CH2 3.84Å; L80-W547 HydrophobicContact CD1-CZ2 4.05Å
81G91.7Very high91.2Very high9 Ų938.7 Ų38.79%0.09320%0.203CC..  trans73.9168.9-167.100000113.2D73 A76 W77D73-G81 WeakPolarHBondContact O-CA 3.27Å; A76-G81 VanDerWaalsContact O-CA 3.24Å; A76-G81 WeakPolarHBondContact O-CA 3.45Å; W77-G81 PolarHBondContact O-N 2.99Å
82R92.6Very high91.3Very high10 Ų1037.5 Ų37.54%0.03820%0.199CC..EExtended strand (participates in β ladder)trans-129.1124.9177.1-175.4179.1173.2176.5-3.6111.7D73 I84 T87 Y530 D543 N545D73-R82 PolarHBondContact N-O 3.32Å; D73-R82 PolarHBondContact O-N 3.17Å; R82-I84 HydrophobicContact CB-CD1 4.36Å; R82-I84 HydrophobicContact CG-CD1 3.95Å; R82-I84 PolarHBondContact O-N 3.34Å; R82-T87 PolarHBondContact NE-OG1 2.93Å; R82-T87 VanDerWaalsContact NE-OG1 3.09Å; R82-T87 PolarHBondContact NH2-O 3.41Å; R82-T87 VanDerWaalsContact NH2-O 3.14Å; R82-Y530 PolarHBondContact NH1-OH 3.14Å; R82-Y530 VanDerWaalsContact NH1-OH 3.14Å; R82-D543 IonicContact NH1-OD2 3.92Å; R82-N545 VanDerWaalsContact CZ-ND2 3.34Å; R82-N545 PolarHBondContact NH2-ND2 3.29Å; R82-N545 VanDerWaalsContact NH2-ND2 3.13Å
83I92.3Very high91.4Very high104 Ų10432.1 Ų32.153%0.53318%0.175SC..EExtended strand (participates in β ladder)trans-78.5102.6172-56.6166000108.5F72 T87F72-I83 HydrophobicContact CD2-CG1 3.84Å; F72-I83 HydrophobicContact CE2-CG1 4.27Å; I83-T87 WeakPolarHBondContact O-CB 3.31Å; I83-T87 VanDerWaalsContact O-CG2 3.31Å; I83-T87 WeakPolarHBondContact O-CG2 3.18Å; I83-T87 PolarHBondContact O-N 2.81Å; I83-T87 PolarHBondContact O-OG1 3.42Å
84I90.5Very high91.5Very high0 Ų035.3 Ų35.30%019%0.191CC..THydrogen-bonded Turntrans-70.1-52.2-171-61.2-64.3000111.4F52 T56 F68 W71 D73 R82 G86 T87 I88F52-I84 HydrophobicContact CE2-CD1 3.72Å; F52-I84 HydrophobicContact CZ-CD1 3.87Å; T56-I84 HydrophobicContact CG2-CG2 4.04Å; F68-I84 HydrophobicContact CE2-CG2 4.13Å; W71-I84 HydrophobicContact CB-CB 4.38Å; W71-I84 HydrophobicContact CD2-CB 4.14Å; W71-I84 HydrophobicContact CD2-CG1 3.8Å; W71-I84 HydrophobicContact CE3-CB 3.73Å; W71-I84 HydrophobicContact CE3-CG1 3.59Å; W71-I84 HydrophobicContact CE3-CG2 3.66Å; W71-I84 HydrophobicContact CG-CB 4.47Å; W71-I84 HydrophobicContact CG-CG1 4.36Å; W71-I84 HydrophobicContact CH2-CG1 4.28Å; W71-I84 HydrophobicContact CZ2-CG1 4.48Å; W71-I84 HydrophobicContact CZ3-CB 4.29Å; W71-I84 HydrophobicContact CZ3-CD1 4.49Å; W71-I84 HydrophobicContact CZ3-CG1 3.86Å; W71-I84 HydrophobicContact CZ3-CG2 3.97Å; W71-I84 PolarHBondContact O-N 2.86Å; D73-I84 HydrophobicContact CB-CD1 4Å; D73-I84 HydrophobicContact CB-CG1 3.77Å; R82-I84 HydrophobicContact CB-CD1 4.36Å; R82-I84 HydrophobicContact CG-CD1 3.95Å; R82-I84 PolarHBondContact O-N 3.34Å; I84-G86 PolarHBondContact O-N 3.37Å; I84-G86 VanDerWaalsContact O-N 3.09Å; I84-T87 CarbonylContact O-C 3.59Å; I84-T87 PolarHBondContact O-N 2.83Å; I84-I88 HydrophobicContact CG2-CB 4.49Å; I84-I88 HydrophobicContact CG2-CD1 4.17Å; I84-I88 HydrophobicContact CG2-CG2 4.2Å; I84-I88 WeakPolarHBondContact O-CB 3.3Å; I84-I88 WeakPolarHBondContact O-CG2 3.36Å; I84-I88 PolarHBondContact O-N 2.9Å
85G87Confident91.7Very high8 Ų831.3 Ų31.38%0.08217%0.171CC..THydrogen-bonded Turntrans-61.9-23.1-175.800000114.7H69H69-G85 WeakPolarHBondContact O-CA 3.43Å
86G88.9Confident91.8Very high27 Ų2727.6 Ų27.628%0.27816%0.157SC..THydrogen-bonded Turntrans-92.2-13.5174.700000114.9I84 F256I84-G86 PolarHBondContact O-N 3.37Å; I84-G86 VanDerWaalsContact O-N 3.09Å; G86-F256 WeakPolarHBondContact O-CA 3.31Å; G86-F256 VanDerWaalsContact O-CD2 3.32Å; G86-F256 WeakPolarHBondContact O-CD2 3.27Å
87T89.1Confident91.9Very high45 Ų4527.9 Ų27.928%0.27616%0.159SC..SBendtrans-123.223.4-173.766.10000113.5R82 I83 I84R82-T87 PolarHBondContact NE-OG1 2.93Å; R82-T87 VanDerWaalsContact NE-OG1 3.09Å; R82-T87 PolarHBondContact NH2-O 3.41Å; R82-T87 VanDerWaalsContact NH2-O 3.14Å; I83-T87 WeakPolarHBondContact O-CB 3.31Å; I83-T87 VanDerWaalsContact O-CG2 3.31Å; I83-T87 WeakPolarHBondContact O-CG2 3.18Å; I83-T87 PolarHBondContact O-N 2.81Å; I83-T87 PolarHBondContact O-OG1 3.42Å; I84-T87 CarbonylContact O-C 3.59Å; I84-T87 PolarHBondContact O-N 2.83Å
88I90.9Very high92Very high10 Ų1030.2 Ų30.25%0.05118%0.179CC..SBendtrans-137.9151.3-177.8-156.8169.9000112F52 T56 F68 I84 P90 M93F52-I88 HydrophobicContact CD1-CD1 4.34Å; F52-I88 HydrophobicContact CE1-CD1 3.37Å; F52-I88 HydrophobicContact CE1-CG1 3.9Å; F52-I88 HydrophobicContact CZ-CD1 3.73Å; F52-I88 HydrophobicContact CZ-CG1 4.41Å; T56-I88 HydrophobicContact CG2-CD1 3.74Å; F68-I88 HydrophobicContact CZ-CD1 4.49Å; F68-I88 HydrophobicContact CZ-CG2 4.06Å; I84-I88 HydrophobicContact CG2-CB 4.49Å; I84-I88 HydrophobicContact CG2-CD1 4.17Å; I84-I88 HydrophobicContact CG2-CG2 4.2Å; I84-I88 WeakPolarHBondContact O-CB 3.3Å; I84-I88 WeakPolarHBondContact O-CG2 3.36Å; I84-I88 PolarHBondContact O-N 2.9Å; I88-P90 WeakPolarHBondContact O-CD 3.18Å; I88-M93 HydrophobicContact CD1-CE 3.32Å; I88-M93 HydrophobicContact CD1-SD 3.97Å; I88-M93 HydrophobicContact CG1-CE 3.83Å; I88-M93 HydrophobicContact CG1-SD 4.34Å
89Y92.4Very high92Very high36 Ų3629.7 Ų29.714%0.14118%0.179CC..  trans-88.1107.9166.4-72.7-67.7000109.1G91 V206 S207 G210 Y212 F256 V257Y89-G91 VanDerWaalsContact C-N 3.28Å; Y89-G91 PolarHBondContact O-N 3.39Å; Y89-V206 WeakPolarHBondContact CD1-O 3.47Å; Y89-V206 WeakPolarHBondContact CE1-O 3.2Å; Y89-S207 CarbonylContact C-O 3.12Å; Y89-S207 VanDerWaalsContact C-O 3.23Å; Y89-S207 WeakPolarHBondContact CB-O 3.34Å; Y89-G210 WeakPolarHBondContact OH-CA 3.44Å; Y89-Y212 HydrophobicContact CE1-CE1 4.37Å; Y89-F256 HydrophobicContact CD1-CD1 4.24Å; Y89-F256 HydrophobicContact CD2-CD1 4.24Å; Y89-F256 HydrophobicContact CD2-CE1 4.31Å; Y89-F256 AromaticContact CE1-CD1 3.68Å; Y89-F256 HydrophobicContact CE1-CD1 3.68Å; Y89-F256 HydrophobicContact CE1-CE1 4.25Å; Y89-F256 AromaticContact CE2-CD1 3.67Å; Y89-F256 HydrophobicContact CE2-CD1 3.67Å; Y89-F256 AromaticContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CE2-CE1 3.49Å; Y89-F256 VanDerWaalsContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CG-CD1 4.49Å; Y89-F256 AromaticContact CZ-CD1 3.35Å; Y89-F256 AromaticContact CZ-CE1 3.45Å; Y89-F256 VanDerWaalsContact CZ-CE1 3.45Å; Y89-F256 VanDerWaalsContact OH-CE1 3.32Å; Y89-F256 WeakPolarHBondContact OH-CE1 3.22Å; Y89-V257 HydrophobicContact CE1-CG2 4.22Å
90P92.6Very high92.2Very high21 Ų2128.1 Ų28.114%0.13616%0.163CC..THydrogen-bonded Turntrans-80.2-5.4-167.734-38.5000114.1F68 I88 L92 M93 I94F68-P90 HydrophobicContact CE1-CB 4.16Å; I88-P90 WeakPolarHBondContact O-CD 3.18Å; P90-L92 PolarHBondContact O-N 3.5Å; P90-M93 PolarHBondContact O-N 3.24Å; P90-I94 HydrophobicContact CB-CD1 3.79Å; P90-I94 HydrophobicContact CB-CG1 4.31Å; P90-I94 HydrophobicContact CG-CD1 4.2Å; P90-I94 WeakPolarHBondContact O-CB 3.07Å; P90-I94 WeakPolarHBondContact O-CG1 3.15Å; P90-I94 PolarHBondContact O-N 3.38Å
91G92Very high92.1Very high1 Ų129 Ų291%0.0117%0.165CC..Hα-helixtrans-62.7-40.3-170.900000113.6Y89 T95 S207Y89-G91 VanDerWaalsContact C-N 3.28Å; Y89-G91 PolarHBondContact O-N 3.39Å; G91-T95 VanDerWaalsContact O-CB 3.31Å; G91-T95 WeakPolarHBondContact O-CB 3.37Å; G91-T95 PolarHBondContact O-N 3.27Å; G91-T95 VanDerWaalsContact O-N 3.09Å; G91-T95 PolarHBondContact O-OG1 3.15Å; G91-S207 VanDerWaalsContact CA-O 3.3Å; G91-S207 WeakPolarHBondContact CA-O 3.41Å; G91-S207 PolarHBondContact N-O 3.23Å
92L93.6Very high92.2Very high2 Ų232.4 Ų32.41%0.0118%0.183CC..Hα-helixtrans-63.9-48.1177.618065.2000111.6N53 P90 S96 L119 Y166 I171N53-L92 HydrophobicContact CB-CD2 3.96Å; P90-L92 PolarHBondContact O-N 3.5Å; L92-S96 WeakPolarHBondContact O-CB 3.38Å; L92-S96 PolarHBondContact O-N 2.93Å; L92-S96 VanDerWaalsContact O-N 3.1Å; L92-S96 PolarHBondContact O-OG 3.25Å; L92-L119 HydrophobicContact CD1-CD2 3.59Å; L92-Y166 HydrophobicContact CD1-CD2 4.16Å; L92-Y166 HydrophobicContact CD1-CE2 3.61Å; L92-Y166 HydrophobicContact CD2-CD1 4.2Å; L92-Y166 HydrophobicContact CD2-CD2 4.41Å; L92-Y166 HydrophobicContact CD2-CE1 3.89Å; L92-Y166 HydrophobicContact CD2-CE2 4.13Å; L92-Y166 HydrophobicContact CD2-CG 4.45Å; L92-Y166 HydrophobicContact CG-CD2 4.47Å; L92-Y166 HydrophobicContact CG-CE1 4.1Å; L92-Y166 HydrophobicContact CG-CE2 3.79Å; L92-Y166 PolarHBondContact O-OH 2.91Å; L92-I171 HydrophobicContact CB-CD1 4.43Å; L92-I171 HydrophobicContact CD1-CD1 3.55Å; L92-I171 HydrophobicContact CD1-CG1 3.96Å
93M94Very high92.2Very high0 Ų034 Ų340%019%0.192CC..Hα-helixtrans-67.3-46.6-177.6-53.581.7-171.700111.4N53 T57 L60 I88 P90 T95 S96 A97N53-M93 HydrophobicContact CB-CE 4.07Å; N53-M93 VanDerWaalsContact OD1-CE 3.28Å; N53-M93 WeakPolarHBondContact OD1-CE 3.46Å; T57-M93 WeakPolarHBondContact OG1-CA 3.44Å; T57-M93 WeakPolarHBondContact OG1-CB 3.33Å; T57-M93 VanDerWaalsContact OG1-CG 3.27Å; T57-M93 WeakPolarHBondContact OG1-CG 3.14Å; L60-M93 HydrophobicContact CD2-CB 3.82Å; I88-M93 HydrophobicContact CD1-CE 3.32Å; I88-M93 HydrophobicContact CD1-SD 3.97Å; I88-M93 HydrophobicContact CG1-CE 3.83Å; I88-M93 HydrophobicContact CG1-SD 4.34Å; P90-M93 PolarHBondContact O-N 3.24Å; M93-T95 PolarHBondContact O-N 3.14Å; M93-S96 PolarHBondContact O-N 2.71Å; M93-A97 WeakPolarHBondContact O-CB 3.41Å; M93-A97 PolarHBondContact O-N 2.94Å
94I93.8Very high92.1Very high67 Ų6732.2 Ų32.234%0.34418%0.182SC..Hα-helixtrans-60.3-46.1178.2-67.1167.4000110.7L60 F65 P90 S96 A97 A98L60-I94 HydrophobicContact CD2-CG1 4.31Å; F65-I94 HydrophobicContact CD2-CG1 4.46Å; F65-I94 HydrophobicContact CE2-CD1 3.81Å; F65-I94 HydrophobicContact CE2-CG1 4.16Å; P90-I94 HydrophobicContact CB-CD1 3.79Å; P90-I94 HydrophobicContact CB-CG1 4.31Å; P90-I94 HydrophobicContact CG-CD1 4.2Å; P90-I94 WeakPolarHBondContact O-CB 3.07Å; P90-I94 WeakPolarHBondContact O-CG1 3.15Å; P90-I94 PolarHBondContact O-N 3.38Å; I94-S96 VanDerWaalsContact C-N 3.28Å; I94-S96 PolarHBondContact O-N 3.09Å; I94-A97 PolarHBondContact O-N 3.47Å; I94-A98 VanDerWaalsContact O-CB 3.23Å; I94-A98 WeakPolarHBondContact O-CB 3.5Å; I94-A98 PolarHBondContact O-N 3.44Å
95T94.5Very high92.2Very high20 Ų2039.8 Ų39.812%0.12322%0.215CC..Hα-helixtrans-60.9-40.2178.8-68.40000111.5G91 M93 A98 I99 F123 I171 Y204G91-T95 VanDerWaalsContact O-CB 3.31Å; G91-T95 WeakPolarHBondContact O-CB 3.37Å; G91-T95 PolarHBondContact O-N 3.27Å; G91-T95 VanDerWaalsContact O-N 3.09Å; G91-T95 PolarHBondContact O-OG1 3.15Å; M93-T95 PolarHBondContact O-N 3.14Å; T95-A98 PolarHBondContact O-N 3.15Å; T95-I99 HydrophobicContact CG2-CD1 4.09Å; T95-I99 VanDerWaalsContact O-CG1 3.3Å; T95-I99 WeakPolarHBondContact O-CG1 3.33Å; T95-I99 PolarHBondContact O-N 3.02Å; T95-F123 HydrophobicContact CG2-CE2 3.72Å; T95-F123 HydrophobicContact CG2-CZ 3.53Å; T95-I171 HydrophobicContact CG2-CD1 3.94Å; T95-Y204 WeakPolarHBondContact OG1-CE2 3.49Å; T95-Y204 PolarHBondContact OG1-OH 3.41Å
96S93.9Very high92.5Very high0 Ų045.7 Ų45.70%024%0.238CC..Hα-helixtrans-71.3-44.1-179.4-52.50000112L92 M93 I94 A98 I99 Y100 L119 Y166L92-S96 WeakPolarHBondContact O-CB 3.38Å; L92-S96 PolarHBondContact O-N 2.93Å; L92-S96 VanDerWaalsContact O-N 3.1Å; L92-S96 PolarHBondContact O-OG 3.25Å; M93-S96 PolarHBondContact O-N 2.71Å; I94-S96 VanDerWaalsContact C-N 3.28Å; I94-S96 PolarHBondContact O-N 3.09Å; S96-A98 VanDerWaalsContact C-N 3.33Å; S96-A98 PolarHBondContact O-N 3.32Å; S96-I99 PolarHBondContact O-N 3.29Å; S96-Y100 WeakPolarHBondContact O-CB 3.4Å; S96-Y100 PolarHBondContact O-N 3.11Å; S96-L119 WeakPolarHBondContact OG-CD2 3.36Å; S96-Y166 WeakPolarHBondContact CB-OH 3.34Å; S96-Y166 VanDerWaalsContact OG-CE2 3.3Å; S96-Y166 WeakPolarHBondContact OG-CE2 3.48Å; S96-Y166 PolarHBondContact OG-OH 2.66Å
97A93.1Very high92.6Very high5 Ų552.5 Ų52.54%0.04126%0.263CS..Hα-helixtrans-63.1-39.8174.600000111.5L60 M93 I94 Y100 H101L60-A97 HydrophobicContact CD2-CB 3.7Å; L60-A97 HydrophobicContact CG-CB 4Å; M93-A97 WeakPolarHBondContact O-CB 3.41Å; M93-A97 PolarHBondContact O-N 2.94Å; I94-A97 PolarHBondContact O-N 3.47Å; A97-Y100 WeakPolarHBondContact O-CB 3.42Å; A97-Y100 PolarHBondContact O-N 3.38Å; A97-H101 PolarHBondContact O-CD2 3.14Å; A97-H101 PolarHBondContact O-N 3.08Å
98A93.7Very high92.6Very high50 Ų5054.5 Ų54.541%0.41327%0.271SS..Hα-helixtrans-62-45.6175.200000111.7I94 T95 S96 Y100 H101 V102I94-A98 VanDerWaalsContact O-CB 3.23Å; I94-A98 WeakPolarHBondContact O-CB 3.5Å; I94-A98 PolarHBondContact O-N 3.44Å; T95-A98 PolarHBondContact O-N 3.15Å; S96-A98 VanDerWaalsContact C-N 3.33Å; S96-A98 PolarHBondContact O-N 3.32Å; A98-Y100 VanDerWaalsContact C-N 3.34Å; A98-Y100 PolarHBondContact O-N 3.19Å; A98-H101 PolarHBondContact O-N 3.34Å; A98-V102 WeakPolarHBondContact O-CB 3.37Å; A98-V102 WeakPolarHBondContact O-CG2 3.28Å; A98-V102 PolarHBondContact O-N 3.42Å
99I93.6Very high92.6Very high46 Ų4659.8 Ų59.824%0.23630%0.304CS..Hα-helixtrans-61.5-44.4175.3-69.6165.2000110.6T95 S96 V102 L103 V115 L119 L122 F123T95-I99 HydrophobicContact CG2-CD1 4.09Å; T95-I99 VanDerWaalsContact O-CG1 3.3Å; T95-I99 WeakPolarHBondContact O-CG1 3.33Å; T95-I99 PolarHBondContact O-N 3.02Å; S96-I99 PolarHBondContact O-N 3.29Å; I99-V102 PolarHBondContact O-N 3.31Å; I99-L103 HydrophobicContact CG2-CD1 3.78Å; I99-L103 HydrophobicContact CG2-CG 4.37Å; I99-L103 WeakPolarHBondContact O-CB 3.44Å; I99-L103 VanDerWaalsContact O-CG 3.29Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 2.89Å; I99-V115 HydrophobicContact CB-CG1 4.19Å; I99-V115 HydrophobicContact CG2-CG1 3.87Å; I99-L119 HydrophobicContact CD1-CD1 3.45Å; I99-L119 VanDerWaalsContact CD1-CD1 3.45Å; I99-L122 HydrophobicContact CD1-CD2 4.38Å; I99-F123 HydrophobicContact CD1-CE2 4.42Å
100Y93.3Very high92.5Very high50 Ų5060.6 Ų60.620%0.19631%0.31CS..Hα-helixtrans-58.6-49.3177173.2-100.8000112.2A61 S96 A97 A98 V102 L103 H104 I110 I112 V115A61-Y100 HydrophobicContact CB-CD1 4.25Å; A61-Y100 HydrophobicContact CB-CE1 4.25Å; S96-Y100 WeakPolarHBondContact O-CB 3.4Å; S96-Y100 PolarHBondContact O-N 3.11Å; A97-Y100 WeakPolarHBondContact O-CB 3.42Å; A97-Y100 PolarHBondContact O-N 3.38Å; A98-Y100 VanDerWaalsContact C-N 3.34Å; A98-Y100 PolarHBondContact O-N 3.19Å; Y100-V102 PolarHBondContact O-N 2.89Å; Y100-L103 PolarHBondContact O-N 3.37Å; Y100-H104 AromaticContact CD2-CD2 3.73Å; Y100-H104 AromaticContact CE1-CD2 3.9Å; Y100-H104 AromaticContact CE2-CD2 3.34Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.46Å; Y100-H104 AromaticContact CE2-NE2 3.2Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.33Å; Y100-H104 AromaticContact CZ-CD2 3.43Å; Y100-H104 VanDerWaalsContact CZ-CD2 3.43Å; Y100-H104 AromaticContact CZ-NE2 3.32Å; Y100-H104 VanDerWaalsContact CZ-NE2 3.32Å; Y100-H104 WeakPolarHBondContact O-CB 3.23Å; Y100-H104 PolarHBondContact O-CD2 3.24Å; Y100-H104 PolarHBondContact O-N 2.96Å; Y100-H104 PolarHBondContact OH-NE2 3.07Å; Y100-I110 VanDerWaalsContact CE2-O 3.22Å; Y100-I110 WeakPolarHBondContact CE2-O 3.4Å; Y100-I112 HydrophobicContact CD1-CD1 4.39Å; Y100-I112 HydrophobicContact CD2-CB 4.17Å; Y100-I112 HydrophobicContact CD2-CD1 3.88Å; Y100-I112 HydrophobicContact CE2-CB 4.17Å; Y100-I112 HydrophobicContact CG-CD1 3.74Å; Y100-V115 HydrophobicContact CD2-CG2 4.38Å
101H91.8Very high92.4Very high99 Ų9963.1 Ų63.146%0.45832%0.322SS..Hα-helixtrans-65.5-36.7178-69.6-52.8000112.8A97 A98 H104 F105A97-H101 PolarHBondContact O-CD2 3.14Å; A97-H101 PolarHBondContact O-N 3.08Å; A98-H101 PolarHBondContact O-N 3.34Å; H101-H104 PolarHBondContact O-N 3.29Å; H101-F105 WeakPolarHBondContact O-CB 3.41Å; H101-F105 PolarHBondContact O-N 3.46Å
102V93.1Very high92.4Very high79 Ų7963.6 Ų63.648%0.47932%0.324SS..Hα-helixtrans-64.8-42.9174.61700000110.9A98 I99 Y100 F105 F106A98-V102 WeakPolarHBondContact O-CB 3.37Å; A98-V102 WeakPolarHBondContact O-CG2 3.28Å; A98-V102 PolarHBondContact O-N 3.42Å; I99-V102 PolarHBondContact O-N 3.31Å; Y100-V102 PolarHBondContact O-N 2.89Å; V102-F105 WeakPolarHBondContact O-CB 3.43Å; V102-F105 PolarHBondContact O-N 3.15Å; V102-F106 HydrophobicContact CG1-CD2 4.01Å; V102-F106 HydrophobicContact CG1-CE2 3.74Å; V102-F106 WeakPolarHBondContact O-CD2 3.41Å; V102-F106 PolarHBondContact O-N 3.05Å
103L92.6Very high92.4Very high44 Ų4468.1 Ų68.123%0.2334%0.342CS..Hα-helixtrans-65-42.2176.8-71.3168.1000111.9I99 Y100 F105 F106 H107 I108 I110 V115I99-L103 HydrophobicContact CG2-CD1 3.78Å; I99-L103 HydrophobicContact CG2-CG 4.37Å; I99-L103 WeakPolarHBondContact O-CB 3.44Å; I99-L103 VanDerWaalsContact O-CG 3.29Å; I99-L103 WeakPolarHBondContact O-CG 3.38Å; I99-L103 PolarHBondContact O-N 2.89Å; Y100-L103 PolarHBondContact O-N 3.37Å; L103-F105 VanDerWaalsContact C-N 3.32Å; L103-F105 PolarHBondContact O-N 3.38Å; L103-F106 CarbonylContact O-C 3.57Å; L103-F106 PolarHBondContact O-N 3.26Å; L103-F106 VanDerWaalsContact O-N 3.15Å; L103-H107 PolarHBondContact O-N 3.48Å; L103-I108 CarbonylContact C-O 3.58Å; L103-I108 HydrophobicContact CD2-CD1 4.27Å; L103-I108 PolarHBondContact O-N 2.97Å; L103-I110 HydrophobicContact CD1-CD1 3.97Å; L103-I110 HydrophobicContact CD2-CD1 4.45Å; L103-V115 HydrophobicContact CD1-CG2 4.26Å
104H90.5Very high92.3Very high67 Ų6770.4 Ų70.431%0.3135%0.353SS..Hα-helixtrans-64.2-35.3173.7-93-88.6000112.8Y100 H101 F106 H107Y100-H104 AromaticContact CD2-CD2 3.73Å; Y100-H104 AromaticContact CE1-CD2 3.9Å; Y100-H104 AromaticContact CE2-CD2 3.34Å; Y100-H104 WeakPolarHBondContact CE2-CD2 3.46Å; Y100-H104 AromaticContact CE2-NE2 3.2Å; Y100-H104 WeakPolarHBondContact CE2-NE2 3.33Å; Y100-H104 AromaticContact CZ-CD2 3.43Å; Y100-H104 VanDerWaalsContact CZ-CD2 3.43Å; Y100-H104 AromaticContact CZ-NE2 3.32Å; Y100-H104 VanDerWaalsContact CZ-NE2 3.32Å; Y100-H104 WeakPolarHBondContact O-CB 3.23Å; Y100-H104 PolarHBondContact O-CD2 3.24Å; Y100-H104 PolarHBondContact O-N 2.96Å; Y100-H104 PolarHBondContact OH-NE2 3.07Å; H101-H104 PolarHBondContact O-N 3.29Å; H104-F106 VanDerWaalsContact C-N 3.27Å; H104-F106 PolarHBondContact O-N 3.34Å; H104-H107 WeakPolarHBondContact O-CA 3.41Å; H104-H107 PolarHBondContact O-N 3.35Å
105F92.1Very high92.3Very high158 Ų15867.7 Ų67.769%0.69334%0.34SS*.Hα-helixtrans-61.6-36.1173.1179-96.9000111.9H101 V102 L103 H107H101-F105 WeakPolarHBondContact O-CB 3.41Å; H101-F105 PolarHBondContact O-N 3.46Å; V102-F105 WeakPolarHBondContact O-CB 3.43Å; V102-F105 PolarHBondContact O-N 3.15Å; L103-F105 VanDerWaalsContact C-N 3.32Å; L103-F105 PolarHBondContact O-N 3.38Å; F105-H107 PolarHBondContact O-N 3.16Å; F105-H107 PolarHBondContact O-ND1 3.31Å
106F93.2Very high92.3Very high132 Ų13266.8 Ų66.858%0.57934%0.335SS*.THydrogen-bonded Turntrans-81.511.7171.9-67.9-65.5000114.1V102 L103 H104 I108V102-F106 HydrophobicContact CG1-CD2 4.01Å; V102-F106 HydrophobicContact CG1-CE2 3.74Å; V102-F106 WeakPolarHBondContact O-CD2 3.41Å; V102-F106 PolarHBondContact O-N 3.05Å; L103-F106 CarbonylContact O-C 3.57Å; L103-F106 PolarHBondContact O-N 3.26Å; L103-F106 VanDerWaalsContact O-N 3.15Å; H104-F106 VanDerWaalsContact C-N 3.27Å; H104-F106 PolarHBondContact O-N 3.34Å; F106-I108 HydrophobicContact CB-CD1 4.42Å; F106-I108 HydrophobicContact CB-CG1 4.28Å; F106-I108 PolarHBondContact O-N 3.46Å
107H90Very high92.2Very high170 Ų17066.9 Ų66.979%0.78734%0.335SS*.THydrogen-bonded Turntrans59.823.5-178.7-58.572.1000114.2L103 H104 F105 T109L103-H107 PolarHBondContact O-N 3.48Å; H104-H107 WeakPolarHBondContact O-CA 3.41Å; H104-H107 PolarHBondContact O-N 3.35Å; F105-H107 PolarHBondContact O-N 3.16Å; F105-H107 PolarHBondContact O-ND1 3.31Å; H107-T109 PolarHBondContact O-N 3.48Å
108I91Very high92.3Very high87 Ų8770 Ų7045%0.44635%0.348SS..  trans-92.395.7172.4-51.3179000107.4L103 F106 I110L103-I108 CarbonylContact C-O 3.58Å; L103-I108 HydrophobicContact CD2-CD1 4.27Å; L103-I108 PolarHBondContact O-N 2.97Å; F106-I108 HydrophobicContact CB-CD1 4.42Å; F106-I108 HydrophobicContact CB-CG1 4.28Å; F106-I108 PolarHBondContact O-N 3.46Å; I108-I110 HydrophobicContact CG2-CD1 3.49Å; I108-I110 VanDerWaalsContact CG2-CD1 3.49Å; I108-I110 HydrophobicContact CG2-CG1 3.84Å; I108-I110 PolarHBondContact O-N 3.31Å
109T89.6Confident92.3Very high121 Ų12167.9 Ų67.974%0.74233%0.329SS*.  trans-76.685.8-177.456.40000110.9H107H107-T109 PolarHBondContact O-N 3.48Å
110I89.5Confident92.4Very high54 Ų5466 Ų6628%0.27732%0.321SS..  trans-105.2131.5176.7-70.8159.9000109Y100 L103 I108 N114 V115Y100-I110 VanDerWaalsContact CE2-O 3.22Å; Y100-I110 WeakPolarHBondContact CE2-O 3.4Å; L103-I110 HydrophobicContact CD1-CD1 3.97Å; L103-I110 HydrophobicContact CD2-CD1 4.45Å; I108-I110 HydrophobicContact CG2-CD1 3.49Å; I108-I110 VanDerWaalsContact CG2-CD1 3.49Å; I108-I110 HydrophobicContact CG2-CG1 3.84Å; I108-I110 PolarHBondContact O-N 3.31Å; I110-N114 HydrophobicContact CG2-CB 3.75Å; I110-V115 HydrophobicContact CG2-CG2 3.93Å
111D91.8Very high92.4Very high74 Ų7463.6 Ų63.640%0.39631%0.312SS..  trans-60139.4173.4-178.530000111.8R113 N114 V115D111-R113 PolarHBondContact O-N 3.05Å; D111-R113 VanDerWaalsContact O-N 3.1Å; D111-R113 VanDerWaalsContact OD2-CB 3.22Å; D111-R113 WeakPolarHBondContact OD2-CB 3.34Å; D111-R113 IonicContact OD2-NE 3.94Å; D111-N114 WeakPolarHBondContact O-CB 3.35Å; D111-N114 PolarHBondContact O-N 3.25Å; D111-V115 PolarHBondContact O-N 3.49Å
112I92Very high92.6Very high10 Ų1061.9 Ų61.95%0.05131%0.305CS..Hα-helixtrans-57.3-31-177.6-173.261.2000112Y54 T57 A61 Y100 N114 V115 C116Y54-I112 HydrophobicContact CE2-CG2 4.27Å; T57-I112 HydrophobicContact CG2-CD1 3.9Å; T57-I112 HydrophobicContact CG2-CG1 4.02Å; A61-I112 HydrophobicContact CB-CD1 4.33Å; A61-I112 HydrophobicContact CB-CG1 4.37Å; Y100-I112 HydrophobicContact CD1-CD1 4.39Å; Y100-I112 HydrophobicContact CD2-CB 4.17Å; Y100-I112 HydrophobicContact CD2-CD1 3.88Å; Y100-I112 HydrophobicContact CE2-CB 4.17Å; Y100-I112 HydrophobicContact CG-CD1 3.74Å; I112-N114 VanDerWaalsContact C-N 3.35Å; I112-N114 PolarHBondContact O-N 3.34Å; I112-V115 HydrophobicContact CD1-CB 4.5Å; I112-V115 PolarHBondContact O-N 3.44Å; I112-C116 PolarHBondContact O-N 3.04Å; I112-C116 PolarHBondContact O-SG 3Å
113R92.5Very high92.7Very high98 Ų9858.7 Ų58.737%0.3729%0.285SS..Hα-helixtrans-58.4-44.4174.3-175.9-18056.8166.63.1112Y54 D111 V115 C116 V117Y54-R113 HydrophobicContact CE2-CB 3.84Å; Y54-R113 HydrophobicContact CE2-CG 4.26Å; D111-R113 PolarHBondContact O-N 3.05Å; D111-R113 VanDerWaalsContact O-N 3.1Å; D111-R113 VanDerWaalsContact OD2-CB 3.22Å; D111-R113 WeakPolarHBondContact OD2-CB 3.34Å; D111-R113 IonicContact OD2-NE 3.94Å; R113-V115 VanDerWaalsContact C-N 3.32Å; R113-V115 PolarHBondContact O-N 2.92Å; R113-C116 WeakPolarHBondContact O-CB 3.49Å; R113-C116 PolarHBondContact O-N 3.29Å; R113-V117 HydrophobicContact CG-CG2 4.47Å; R113-V117 VanDerWaalsContact O-CG2 3.31Å; R113-V117 WeakPolarHBondContact O-CG2 3.35Å; R113-V117 PolarHBondContact O-N 3.5Å
114N93.2Very high92.8Very high47 Ų4756.6 Ų56.625%0.25127%0.274SS..Hα-helixtrans-67.2-36.7-179.4-69.6-19.3000111.2I110 D111 I112 C116 V117 F118I110-N114 HydrophobicContact CG2-CB 3.75Å; D111-N114 WeakPolarHBondContact O-CB 3.35Å; D111-N114 PolarHBondContact O-N 3.25Å; I112-N114 VanDerWaalsContact C-N 3.35Å; I112-N114 PolarHBondContact O-N 3.34Å; N114-C116 VanDerWaalsContact C-N 3.32Å; N114-C116 PolarHBondContact O-N 3.23Å; N114-V117 PolarHBondContact O-N 3.13Å; N114-F118 HydrophobicContact CB-CD2 4.49Å; N114-F118 WeakPolarHBondContact O-CD2 3.3Å; N114-F118 PolarHBondContact O-N 3.11Å; N114-F118 VanDerWaalsContact O-N 3.08Å
115V93.3Very high93Very high11 Ų1154 Ų547%0.06726%0.264CS..Hα-helixtrans-60.5-44.7173.1-178.80000110.4I99 Y100 L103 I110 D111 I112 R113 L119I99-V115 HydrophobicContact CB-CG1 4.19Å; I99-V115 HydrophobicContact CG2-CG1 3.87Å; Y100-V115 HydrophobicContact CD2-CG2 4.38Å; L103-V115 HydrophobicContact CD1-CG2 4.26Å; I110-V115 HydrophobicContact CG2-CG2 3.93Å; D111-V115 PolarHBondContact O-N 3.49Å; I112-V115 HydrophobicContact CD1-CB 4.5Å; I112-V115 PolarHBondContact O-N 3.44Å; R113-V115 VanDerWaalsContact C-N 3.32Å; R113-V115 PolarHBondContact O-N 2.92Å; V115-L119 WeakPolarHBondContact O-CB 3.28Å; V115-L119 PolarHBondContact O-N 3.11Å; V115-L119 VanDerWaalsContact O-N 3.15Å
116C94.1Very high93.2Very high1 Ų150.7 Ų50.71%0.00725%0.249CC..Hα-helixtrans-64.2-43.7178.2-61.30000112.1Y54 I112 R113 N114 F118 L119 Y166Y54-C116 HydrophobicContact CD2-CB 4.39Å; I112-C116 PolarHBondContact O-N 3.04Å; I112-C116 PolarHBondContact O-SG 3Å; R113-C116 WeakPolarHBondContact O-CB 3.49Å; R113-C116 PolarHBondContact O-N 3.29Å; N114-C116 VanDerWaalsContact C-N 3.32Å; N114-C116 PolarHBondContact O-N 3.23Å; C116-F118 PolarHBondContact O-N 3.48Å; C116-L119 PolarHBondContact O-N 2.85Å; C116-Y166 HydrophobicContact CB-CD1 4.12Å; C116-Y166 HydrophobicContact CB-CD2 3.76Å; C116-Y166 HydrophobicContact CB-CE1 4.32Å; C116-Y166 HydrophobicContact CB-CE2 3.95Å; C116-Y166 HydrophobicContact CB-CG 3.83Å; C116-Y166 VanDerWaalsContact O-CD2 3.24Å; C116-Y166 WeakPolarHBondContact O-CD2 3.34Å
117V93.2Very high93.3Very high1 Ų144.4 Ų44.41%0.00622%0.221CC..Hα-helixtrans-63.3-42.2-179.4169.30000112.1V38 I45 R113 N114 A163 G164V38-V117 HydrophobicContact CG2-CG1 3.97Å; I45-V117 HydrophobicContact CG1-CG2 4.33Å; R113-V117 HydrophobicContact CG-CG2 4.47Å; R113-V117 VanDerWaalsContact O-CG2 3.31Å; R113-V117 WeakPolarHBondContact O-CG2 3.35Å; R113-V117 PolarHBondContact O-N 3.5Å; N114-V117 PolarHBondContact O-N 3.13Å; V117-A163 WeakPolarHBondContact O-CA 3.34Å; V117-G164 PolarHBondContact O-N 3.27Å
118F94.5Very high93.6Very high72 Ų7236.3 Ų36.332%0.31618%0.184SC..Hα-helixtrans-92.61.6-175.9-64.2-61.1000114.7F31 L35 V38 N114 C116 P121 L122F31-F118 HydrophobicContact CZ-CD1 4.35Å; L35-F118 HydrophobicContact CD2-CD1 4.11Å; L35-F118 HydrophobicContact CD2-CE1 3.9Å; V38-F118 HydrophobicContact CG1-CE1 4.38Å; V38-F118 HydrophobicContact CG1-CZ 4.25Å; N114-F118 HydrophobicContact CB-CD2 4.49Å; N114-F118 WeakPolarHBondContact O-CD2 3.3Å; N114-F118 PolarHBondContact O-N 3.11Å; N114-F118 VanDerWaalsContact O-N 3.08Å; C116-F118 PolarHBondContact O-N 3.48Å; F118-P121 WeakPolarHBondContact O-CD 3.46Å; F118-L122 PolarHBondContact O-N 2.79Å
119L94.1Very high93.8Very high4 Ų435.2 Ų35.22%0.02118%0.179CC..Hα-helixtrans-65.4-47.1-177.7-166.476.4000112.9L92 S96 I99 V115 C116 L122 F123 Y166 I171L92-L119 HydrophobicContact CD1-CD2 3.59Å; S96-L119 WeakPolarHBondContact OG-CD2 3.36Å; I99-L119 HydrophobicContact CD1-CD1 3.45Å; I99-L119 VanDerWaalsContact CD1-CD1 3.45Å; V115-L119 WeakPolarHBondContact O-CB 3.28Å; V115-L119 PolarHBondContact O-N 3.11Å; V115-L119 VanDerWaalsContact O-N 3.15Å; C116-L119 PolarHBondContact O-N 2.85Å; L119-L122 WeakPolarHBondContact O-CB 3.36Å; L119-L122 PolarHBondContact O-N 3.4Å; L119-F123 HydrophobicContact CD1-CD2 3.92Å; L119-F123 HydrophobicContact CD1-CE2 3.72Å; L119-F123 HydrophobicContact CG-CD2 3.85Å; L119-F123 HydrophobicContact CG-CE2 4.07Å; L119-F123 PolarHBondContact O-N 3.41Å; L119-Y166 HydrophobicContact CB-CD2 4.4Å; L119-Y166 HydrophobicContact CB-CE2 4.41Å; L119-Y166 HydrophobicContact CD2-CD2 4.26Å; L119-Y166 HydrophobicContact CD2-CE2 3.67Å; L119-I171 HydrophobicContact CD2-CD1 3.94Å; L119-I171 HydrophobicContact CD2-CG1 4.18Å
120A94.2Very high94.1Very high7 Ų730.1 Ų30.16%0.05815%0.147CC..Hα-helixtrans-62.8-45.1-177.800000112.7L122 F123 S124A120-L122 VanDerWaalsContact C-N 3.31Å; A120-L122 PolarHBondContact O-N 3.35Å; A120-F123 PolarHBondContact O-N 2.78Å; A120-S124 WeakPolarHBondContact O-CB 3.42Å; A120-S124 PolarHBondContact O-N 3.33Å
121P94.7Very high94.4Very high0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-57.2-39170.7-27.333.5000114.4F31 R34 F118 S124 S125 A163F31-P121 HydrophobicContact CD2-CB 3.49Å; F31-P121 VanDerWaalsContact CD2-CB 3.49Å; F31-P121 HydrophobicContact CE2-CB 3.62Å; F31-P121 HydrophobicContact CG-CB 4.15Å; F31-P121 HydrophobicContact CZ-CB 4.37Å; R34-P121 HydrophobicContact CB-CB 4.34Å; R34-P121 HydrophobicContact CB-CG 4.01Å; F118-P121 WeakPolarHBondContact O-CD 3.46Å; P121-S124 PolarHBondContact O-N 3.04Å; P121-S125 PolarHBondContact O-N 3.23Å; P121-S125 PolarHBondContact O-OG 3.4Å; P121-S125 VanDerWaalsContact O-OG 3.07Å; P121-A163 HydrophobicContact CG-CB 3.75Å
122L95.1Very high94.7Very high62 Ų6224.7 Ų24.733%0.32512%0.118SC..Hα-helixtrans-64.3-49.7176.4179.165.9000111.3I99 F118 L119 A120 S124 S125 F126I99-L122 HydrophobicContact CD1-CD2 4.38Å; F118-L122 PolarHBondContact O-N 2.79Å; L119-L122 WeakPolarHBondContact O-CB 3.36Å; L119-L122 PolarHBondContact O-N 3.4Å; A120-L122 VanDerWaalsContact C-N 3.31Å; A120-L122 PolarHBondContact O-N 3.35Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 3.45Å; L122-S125 VanDerWaalsContact O-CB 3.29Å; L122-S125 WeakPolarHBondContact O-CB 3.46Å; L122-S125 PolarHBondContact O-N 3.28Å; L122-S125 VanDerWaalsContact O-N 3.11Å; L122-F126 HydrophobicContact CD1-CE2 4.15Å; L122-F126 HydrophobicContact CD1-CZ 3.96Å; L122-F126 HydrophobicContact CD2-CE2 4.38Å; L122-F126 HydrophobicContact CG-CE2 3.9Å; L122-F126 HydrophobicContact CG-CZ 4.23Å; L122-F126 PolarHBondContact O-N 2.99Å
123F95.4Very high94.8Very high13 Ų1327.4 Ų27.46%0.05713%0.13CC..Hα-helixtrans-67.8-27.9178.6-89.5-94.3000113.2T95 I99 L119 A120 S125 F126 T127 G170 I171 F174T95-F123 HydrophobicContact CG2-CE2 3.72Å; T95-F123 HydrophobicContact CG2-CZ 3.53Å; I99-F123 HydrophobicContact CD1-CE2 4.42Å; L119-F123 HydrophobicContact CD1-CD2 3.92Å; L119-F123 HydrophobicContact CD1-CE2 3.72Å; L119-F123 HydrophobicContact CG-CD2 3.85Å; L119-F123 HydrophobicContact CG-CE2 4.07Å; L119-F123 PolarHBondContact O-N 3.41Å; A120-F123 PolarHBondContact O-N 2.78Å; F123-S125 VanDerWaalsContact C-N 3.29Å; F123-S125 PolarHBondContact O-N 2.81Å; F123-F126 HydrophobicContact CD1-CD2 4.42Å; F123-F126 PolarHBondContact O-N 2.94Å; F123-T127 WeakPolarHBondContact O-CB 3.46Å; F123-T127 PolarHBondContact O-N 3.43Å; F123-T127 PolarHBondContact O-OG1 3.25Å; F123-G170 WeakPolarHBondContact CB-O 3.27Å; F123-I171 HydrophobicContact CD1-CB 4.38Å; F123-I171 HydrophobicContact CD1-CG1 4.05Å; F123-I171 HydrophobicContact CD1-CG2 4.3Å; F123-I171 HydrophobicContact CD2-CG1 4.12Å; F123-I171 HydrophobicContact CE1-CG1 4.15Å; F123-I171 HydrophobicContact CE1-CG2 4.13Å; F123-I171 HydrophobicContact CE2-CD1 4.41Å; F123-I171 HydrophobicContact CE2-CG1 4.22Å; F123-I171 HydrophobicContact CG-CG1 4.03Å; F123-I171 HydrophobicContact CZ-CD1 4.33Å; F123-I171 HydrophobicContact CZ-CG1 4.25Å; F123-F174 HydrophobicContact CD1-CB 3.98Å; F123-F174 AromaticContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CE1 4.34Å; F123-F174 AromaticContact CD1-CG 3.87Å; F123-F174 HydrophobicContact CD1-CG 3.87Å; F123-F174 AromaticContact CE1-CD1 3.66Å; F123-F174 HydrophobicContact CE1-CD1 3.66Å; F123-F174 AromaticContact CE1-CE1 3.97Å; F123-F174 HydrophobicContact CE1-CE1 3.97Å; F123-F174 HydrophobicContact CE1-CG 4.32Å
124S94.4Very high95Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-63.8-36.4170.8-176.10000112.4S30 R34 A120 P121 L122 T127 T128 Y157S30-S124 PolarHBondContact OG-OG 2.94Å; R34-S124 PolarHBondContact NE-OG 2.92Å; R34-S124 PolarHBondContact NH1-OG 2.86Å; R34-S124 PolarHBondContact NH2-OG 2.98Å; A120-S124 WeakPolarHBondContact O-CB 3.42Å; A120-S124 PolarHBondContact O-N 3.33Å; P121-S124 PolarHBondContact O-N 3.04Å; L122-S124 VanDerWaalsContact C-N 3.29Å; L122-S124 PolarHBondContact O-N 3.45Å; S124-T127 WeakPolarHBondContact O-CB 3.31Å; S124-T127 PolarHBondContact O-N 3.38Å; S124-T128 PolarHBondContact O-N 2.71Å; S124-T128 PolarHBondContact O-OG1 2.9Å; S124-T128 VanDerWaalsContact O-OG1 3.05Å; S124-Y157 VanDerWaalsContact OG-CE1 3.29Å; S124-Y157 WeakPolarHBondContact OG-CE1 3.25Å
125S95.2Very high95.1Very high13 Ų1320.5 Ų20.59%0.09110%0.101CC..Hα-helixtrans-65.4-40.9174.7-56.10000111A27 P121 L122 F123 T128 I129A27-S125 PolarHBondContact O-OG 3.3Å; P121-S125 PolarHBondContact O-N 3.23Å; P121-S125 PolarHBondContact O-OG 3.4Å; P121-S125 VanDerWaalsContact O-OG 3.07Å; L122-S125 VanDerWaalsContact O-CB 3.29Å; L122-S125 WeakPolarHBondContact O-CB 3.46Å; L122-S125 PolarHBondContact O-N 3.28Å; L122-S125 VanDerWaalsContact O-N 3.11Å; F123-S125 VanDerWaalsContact C-N 3.29Å; F123-S125 PolarHBondContact O-N 2.81Å; S125-T128 WeakPolarHBondContact O-CB 3.18Å; S125-T128 PolarHBondContact O-N 2.97Å; S125-I129 PolarHBondContact O-N 2.87Å
126F95.8Very high95.1Very high87 Ų8724.6 Ų24.638%0.38212%0.117SC..Hα-helixtrans-68-36.5172.7-60.5-34.9000112.9L122 F123 T128 I129 V130 F174L122-F126 HydrophobicContact CD1-CE2 4.15Å; L122-F126 HydrophobicContact CD1-CZ 3.96Å; L122-F126 HydrophobicContact CD2-CE2 4.38Å; L122-F126 HydrophobicContact CG-CE2 3.9Å; L122-F126 HydrophobicContact CG-CZ 4.23Å; L122-F126 PolarHBondContact O-N 2.99Å; F123-F126 HydrophobicContact CD1-CD2 4.42Å; F123-F126 PolarHBondContact O-N 2.94Å; F126-T128 VanDerWaalsContact C-N 3.27Å; F126-T128 PolarHBondContact O-N 3.42Å; F126-I129 HydrophobicContact CD1-CD1 4.47Å; F126-I129 PolarHBondContact O-N 3.32Å; F126-I129 VanDerWaalsContact O-N 3.15Å; F126-V130 WeakPolarHBondContact O-CG2 3.31Å; F126-V130 PolarHBondContact O-N 3.24Å; F126-F174 HydrophobicContact CB-CD2 3.67Å; F126-F174 HydrophobicContact CB-CE2 3.57Å; F126-F174 HydrophobicContact CB-CZ 4.41Å
127T96.2Very high95.1Very high0 Ų027 Ų270%013%0.128CC..Hα-helixtrans-58.8-40.7174.7-59.40000111F123 S124 I129 V130 T131 I151 Y157 I173 F174 L177F123-T127 WeakPolarHBondContact O-CB 3.46Å; F123-T127 PolarHBondContact O-N 3.43Å; F123-T127 PolarHBondContact O-OG1 3.25Å; S124-T127 WeakPolarHBondContact O-CB 3.31Å; S124-T127 PolarHBondContact O-N 3.38Å; T127-I129 PolarHBondContact O-N 3.42Å; T127-V130 PolarHBondContact O-N 3.38Å; T127-T131 WeakPolarHBondContact O-CB 3.41Å; T127-T131 PolarHBondContact O-N 2.75Å; T127-T131 PolarHBondContact O-OG1 3.5Å; T127-I151 HydrophobicContact CG2-CD1 3.85Å; T127-Y157 HydrophobicContact CG2-CE1 4.11Å; T127-Y157 PolarHBondContact OG1-OH 3.49Å; T127-I173 HydrophobicContact CG2-CG2 3.94Å; T127-F174 WeakPolarHBondContact OG1-CB 3.4Å; T127-L177 HydrophobicContact CG2-CD1 3.73Å
128T95.8Very high95Very high1 Ų127.3 Ų27.31%0.00613%0.13CC..Hα-helixtrans-58.9-45.5174.9-60.70000111.8A26 S124 S125 F126 T131 Y132 A148 A152A26-T128 HydrophobicContact CB-CG2 3.84Å; S124-T128 PolarHBondContact O-N 2.71Å; S124-T128 PolarHBondContact O-OG1 2.9Å; S124-T128 VanDerWaalsContact O-OG1 3.05Å; S125-T128 WeakPolarHBondContact O-CB 3.18Å; S125-T128 PolarHBondContact O-N 2.97Å; F126-T128 VanDerWaalsContact C-N 3.27Å; F126-T128 PolarHBondContact O-N 3.42Å; T128-T131 PolarHBondContact O-N 3.49Å; T128-Y132 PolarHBondContact O-N 3.38Å; T128-Y132 VanDerWaalsContact O-N 3.16Å; T128-A148 HydrophobicContact CG2-CB 3.83Å; T128-A148 WeakPolarHBondContact CG2-O 3.13Å; T128-A152 HydrophobicContact CG2-CB 4.44Å
129I95.7Very high94.7Very high64 Ų6426.4 Ų26.433%0.32813%0.126SC..Hα-helixtrans-66.5-44.1178.8-63.1168.9000111.3S125 F126 T127 T131 Y132 H133S125-I129 PolarHBondContact O-N 2.87Å; F126-I129 HydrophobicContact CD1-CD1 4.47Å; F126-I129 PolarHBondContact O-N 3.32Å; F126-I129 VanDerWaalsContact O-N 3.15Å; T127-I129 PolarHBondContact O-N 3.42Å; I129-T131 VanDerWaalsContact C-N 3.33Å; I129-T131 PolarHBondContact O-N 2.91Å; I129-Y132 WeakPolarHBondContact O-CB 3.38Å; I129-Y132 PolarHBondContact O-N 3.44Å; I129-H133 PolarHBondContact O-CD2 3.29Å; I129-H133 PolarHBondContact O-N 3.37Å
130V95.8Very high94.6Very high13 Ų1329 Ų298%0.07914%0.14CC..Hα-helixtrans-65.4-38.5178.61750000111.2F126 T127 Y132 H133 L134 F174 L177 L178F126-V130 WeakPolarHBondContact O-CG2 3.31Å; F126-V130 PolarHBondContact O-N 3.24Å; T127-V130 PolarHBondContact O-N 3.38Å; V130-Y132 VanDerWaalsContact C-N 3.33Å; V130-Y132 PolarHBondContact O-N 2.86Å; V130-H133 PolarHBondContact O-N 2.85Å; V130-H133 VanDerWaalsContact O-N 3.15Å; V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-L134 PolarHBondContact O-N 2.89Å; V130-F174 HydrophobicContact CG2-CD2 3.88Å; V130-F174 HydrophobicContact CG2-CE2 3.48Å; V130-F174 VanDerWaalsContact CG2-CE2 3.48Å; V130-F174 HydrophobicContact CG2-CZ 4.5Å; V130-L177 HydrophobicContact CG1-CB 3.76Å; V130-L178 HydrophobicContact CG1-CB 4.3Å; V130-L178 HydrophobicContact CG2-CD1 4.3Å
131T96.4Very high94.5Very high0 Ų029.6 Ų29.60%015%0.145CC..Hα-helixtrans-61.9-40.2176.8-57.30000111.9T127 T128 I129 T135 A147 I151 L177 I416T127-T131 WeakPolarHBondContact O-CB 3.41Å; T127-T131 PolarHBondContact O-N 2.75Å; T127-T131 PolarHBondContact O-OG1 3.5Å; T128-T131 PolarHBondContact O-N 3.49Å; I129-T131 VanDerWaalsContact C-N 3.33Å; I129-T131 PolarHBondContact O-N 2.91Å; T131-T135 WeakPolarHBondContact O-CB 3.41Å; T131-T135 PolarHBondContact O-N 3.43Å; T131-T135 PolarHBondContact O-OG1 2.93Å; T131-A147 HydrophobicContact CG2-CB 4.01Å; T131-I151 HydrophobicContact CG2-CB 4.5Å; T131-I151 HydrophobicContact CG2-CD1 4.28Å; T131-I151 HydrophobicContact CG2-CG2 4.05Å; T131-I151 WeakPolarHBondContact OG1-CD1 3.26Å; T131-L177 VanDerWaalsContact OG1-CD1 3.24Å; T131-L177 WeakPolarHBondContact OG1-CD1 3.31Å; T131-I416 HydrophobicContact CG2-CG1 3.95Å
132Y96.5Very high94.4Very high14 Ų1431.1 Ų31.16%0.05516%0.161CC..Hα-helixtrans-57.3-50.3171.6165.1-105.2000111.4L23 T128 I129 V130 T135 K136 G144 L145L23-Y132 HydrophobicContact CD1-CD1 3.74Å; L23-Y132 HydrophobicContact CD1-CD2 4.32Å; L23-Y132 HydrophobicContact CD1-CE1 3.74Å; L23-Y132 HydrophobicContact CD1-CE2 4.38Å; L23-Y132 HydrophobicContact CD1-CG 4.03Å; L23-Y132 HydrophobicContact CD2-CD1 4.17Å; L23-Y132 HydrophobicContact CD2-CD2 3.95Å; L23-Y132 HydrophobicContact CD2-CG 3.68Å; L23-Y132 HydrophobicContact CG-CG 4.47Å; T128-Y132 PolarHBondContact O-N 3.38Å; T128-Y132 VanDerWaalsContact O-N 3.16Å; I129-Y132 WeakPolarHBondContact O-CB 3.38Å; I129-Y132 PolarHBondContact O-N 3.44Å; V130-Y132 VanDerWaalsContact C-N 3.33Å; V130-Y132 PolarHBondContact O-N 2.86Å; Y132-T135 PolarHBondContact O-N 3.01Å; Y132-K136 HydrophobicContact CE1-CD 4.32Å; Y132-K136 WeakPolarHBondContact O-CB 3.44Å; Y132-K136 PolarHBondContact O-N 2.8Å; Y132-G144 VanDerWaalsContact CD2-C 3.47Å; Y132-L145 HydrophobicContact CD2-CD2 3.92Å; Y132-L145 HydrophobicContact CD2-CG 4.27Å; Y132-L145 HydrophobicContact CE2-CD2 3.79Å; Y132-L145 HydrophobicContact CE2-CG 3.99Å
133H95.2Very high94.3Very high68 Ų6828.2 Ų28.232%0.31515%0.145SC..Hα-helixtrans-64.4-43.1-179-78-66.3000112.8I129 V130 E137 Y181I129-H133 PolarHBondContact O-CD2 3.29Å; I129-H133 PolarHBondContact O-N 3.37Å; V130-H133 PolarHBondContact O-N 2.85Å; V130-H133 VanDerWaalsContact O-N 3.15Å; H133-E137 WeakPolarHBondContact O-CG 3.42Å; H133-E137 PolarHBondContact O-N 3.31Å; H133-Y181 HydrophobicContact CB-CD2 4.06Å; H133-Y181 HydrophobicContact CB-CE1 4.41Å; H133-Y181 HydrophobicContact CB-CE2 3.84Å; H133-Y181 HydrophobicContact CB-CG 4.46Å
134L95.3Very high94.3Very high0 Ų027.6 Ų27.60%014%0.143CC..Hα-helixtrans-60.1-49.1176.1178.458.8000111.2V130 E137 L177 I184 I416V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-L134 PolarHBondContact O-N 2.89Å; L134-E137 WeakPolarHBondContact O-CB 3.2Å; L134-E137 PolarHBondContact O-N 2.85Å; L134-L177 HydrophobicContact CD2-CD2 3.96Å; L134-I184 HydrophobicContact CD1-CD1 3.59Å; L134-I416 HydrophobicContact CD2-CD1 3.58Å; L134-I416 HydrophobicContact CG-CD1 4.27Å
135T95.3Very high94.3Very high0 Ų028.8 Ų28.80%015%0.149CC..Hα-helixtrans-70.7-35.8-177-51.80000112.3T131 Y132 E137 L138 K139 A143 A147 I416 I420T131-T135 WeakPolarHBondContact O-CB 3.41Å; T131-T135 PolarHBondContact O-N 3.43Å; T131-T135 PolarHBondContact O-OG1 2.93Å; Y132-T135 PolarHBondContact O-N 3.01Å; T135-E137 PolarHBondContact O-N 3.47Å; T135-L138 WeakPolarHBondContact O-CB 3.41Å; T135-L138 PolarHBondContact O-N 2.87Å; T135-K139 PolarHBondContact O-N 3.29Å; T135-A143 HydrophobicContact CG2-CB 3.95Å; T135-A147 HydrophobicContact CG2-CB 3.93Å; T135-A147 WeakPolarHBondContact OG1-CB 3.22Å; T135-I416 HydrophobicContact CG2-CG2 4.25Å; T135-I420 HydrophobicContact CG2-CG1 4.19Å
136K94.5Very high94.3Very high96 Ų9630 Ų3042%0.41715%0.154SC..Hα-helixtrans-57.4-34.9173.4179.3-177.8175-176.80111.6Y132 L138Y132-K136 HydrophobicContact CE1-CD 4.32Å; Y132-K136 WeakPolarHBondContact O-CB 3.44Å; Y132-K136 PolarHBondContact O-N 2.8Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.42Å
137E93.1Very high94.3Very high52 Ų5225.9 Ų25.924%0.24314%0.136CC..Hα-helixtrans-70-24.4174.7-70-63.9156.400112.8H133 L134 T135 Y181 I184 K188H133-E137 WeakPolarHBondContact O-CG 3.42Å; H133-E137 PolarHBondContact O-N 3.31Å; L134-E137 WeakPolarHBondContact O-CB 3.2Å; L134-E137 PolarHBondContact O-N 2.85Å; T135-E137 PolarHBondContact O-N 3.47Å; E137-Y181 HydrophobicContact CG-CD2 4.21Å; E137-Y181 HydrophobicContact CG-CE2 3.9Å; E137-I184 HydrophobicContact CB-CG2 4.3Å; E137-K188 WeakPolarHBondContact O-CE 3.32Å; E137-K188 PolarHBondContact O-NZ 2.99Å; E137-K188 IonicContact OE2-NZ 2.82Å; E137-K188 PolarHBondContact OE2-NZ 2.91Å
138L91.5Very high94.2Very high7 Ų726 Ų264%0.03714%0.137CC..Hα-helixtrans-84.1-33.1-176.7-59.6169.7000113.4T135 K136 I184 A385 R386 I389 I416 I420T135-L138 WeakPolarHBondContact O-CB 3.41Å; T135-L138 PolarHBondContact O-N 2.87Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.42Å; L138-I184 HydrophobicContact CD2-CD1 3.92Å; L138-A385 HydrophobicContact CD2-CB 4.04Å; L138-R386 PolarHBondContact O-NE 3.41Å; L138-R386 VanDerWaalsContact O-NE 3.15Å; L138-R386 PolarHBondContact O-NH2 2.67Å; L138-R386 VanDerWaalsContact O-NH2 3.16Å; L138-I389 HydrophobicContact CD1-CB 4.46Å; L138-I389 HydrophobicContact CD1-CD1 4.04Å; L138-I389 HydrophobicContact CD1-CG1 3.59Å; L138-I389 HydrophobicContact CD1-CG2 4.44Å; L138-I389 HydrophobicContact CD2-CG1 3.57Å; L138-I389 HydrophobicContact CG-CG1 4.21Å; L138-I416 HydrophobicContact CD1-CG2 3.5Å; L138-I420 HydrophobicContact CB-CD1 4.07Å; L138-I420 HydrophobicContact CD1-CD1 4.01Å
139K88.8Confident94.2Very high54 Ų5428 Ų2824%0.23515%0.154CC..SBendtrans-143-85.2-174.5-170.3-172.8173.5-168.70112.3T135 A143 I420 S423 Q424T135-K139 PolarHBondContact O-N 3.29Å; K139-A143 HydrophobicContact CB-CB 4.35Å; K139-A143 HydrophobicContact CD-CB 4.11Å; K139-I420 HydrophobicContact CB-CG1 4.49Å; K139-I420 HydrophobicContact CD-CG2 4.15Å; K139-I420 PolarHBondContact NZ-O 2.91Å; K139-S423 PolarHBondContact NZ-OG 3.44Å; K139-Q424 VanDerWaalsContact NZ-CA 3.26Å
140D91.7Very high94.1Very high58 Ų5825.2 Ų25.231%0.3114%0.139SC..  trans-154167-171.172.6-56.7000111G142 A143 G144 S423D140-G142 VanDerWaalsContact C-N 3.25Å; D140-G142 PolarHBondContact O-N 3.48Å; D140-G142 WeakPolarHBondContact OD2-CA 3.42Å; D140-G142 PolarHBondContact OD2-N 3.3Å; D140-G142 VanDerWaalsContact OD2-N 3.09Å; D140-A143 PolarHBondContact O-N 3.11Å; D140-A143 VanDerWaalsContact OD1-CB 3.24Å; D140-A143 WeakPolarHBondContact OD1-CB 3.31Å; D140-A143 PolarHBondContact OD1-N 2.98Å; D140-G144 PolarHBondContact O-N 3.14Å; D140-S423 PolarHBondContact OD1-OG 3.3Å
141A92.4Very high94.1Very high20 Ų2024.6 Ų24.617%0.16514%0.136CC..Hα-helixtrans-64.2-30.118000000112.7G144 L145A141-G144 PolarHBondContact O-N 3.09Å; A141-L145 WeakPolarHBondContact O-CG 3.19Å; A141-L145 PolarHBondContact O-N 2.87Å
142G92.2Very high94Very high32 Ų3224.6 Ų24.633%0.3314%0.136SC..Hα-helixtrans-65.1-46.3177.900000112.2D140 G144 L145 L146D140-G142 VanDerWaalsContact C-N 3.25Å; D140-G142 PolarHBondContact O-N 3.48Å; D140-G142 WeakPolarHBondContact OD2-CA 3.42Å; D140-G142 PolarHBondContact OD2-N 3.3Å; D140-G142 VanDerWaalsContact OD2-N 3.09Å; G142-G144 VanDerWaalsContact C-N 3.25Å; G142-G144 PolarHBondContact O-N 2.9Å; G142-L145 PolarHBondContact O-N 2.9Å; G142-L146 PolarHBondContact O-N 3.41Å
143A93.8Very high93.9Very high0 Ų024.1 Ų24.10%013%0.134CC..Hα-helixtrans-60.1-37.6172.200000112.2T135 K139 D140 L146 A147 I420T135-A143 HydrophobicContact CG2-CB 3.95Å; K139-A143 HydrophobicContact CB-CB 4.35Å; K139-A143 HydrophobicContact CD-CB 4.11Å; D140-A143 PolarHBondContact O-N 3.11Å; D140-A143 VanDerWaalsContact OD1-CB 3.24Å; D140-A143 WeakPolarHBondContact OD1-CB 3.31Å; D140-A143 PolarHBondContact OD1-N 2.98Å; A143-L146 PolarHBondContact O-N 3.21Å; A143-A147 WeakPolarHBondContact O-CB 3.22Å; A143-A147 PolarHBondContact O-N 2.9Å; A143-I420 HydrophobicContact CB-CG1 4.17Å
144G94.9Very high93.9Very high0 Ų020.9 Ų20.90%012%0.119CC..Hα-helixtrans-63.8-42.5177.100000113.9Y132 D140 A141 G142 A147 A148Y132-G144 VanDerWaalsContact CD2-C 3.47Å; D140-G144 PolarHBondContact O-N 3.14Å; A141-G144 PolarHBondContact O-N 3.09Å; G142-G144 VanDerWaalsContact C-N 3.25Å; G142-G144 PolarHBondContact O-N 2.9Å; G144-A147 PolarHBondContact O-N 2.94Å; G144-A148 WeakPolarHBondContact O-CB 3.47Å; G144-A148 PolarHBondContact O-N 3.48Å
145L95Very high93.8Very high26 Ų2620.9 Ų20.914%0.13612%0.119CC..Hα-helixtrans-66-40.5178.1-69176000111.4K19 I22 L23 Y132 A141 G142 A148 A149K19-L145 HydrophobicContact CG-CD1 4.13Å; I22-L145 HydrophobicContact CB-CD2 4.26Å; I22-L145 HydrophobicContact CD1-CD1 4.02Å; I22-L145 HydrophobicContact CG2-CB 4.4Å; I22-L145 HydrophobicContact CG2-CD2 3.98Å; L23-L145 HydrophobicContact CD1-CD2 4.31Å; L23-L145 HydrophobicContact CD2-CD2 3.88Å; L23-L145 HydrophobicContact CG-CD2 3.73Å; Y132-L145 HydrophobicContact CD2-CD2 3.92Å; Y132-L145 HydrophobicContact CD2-CG 4.27Å; Y132-L145 HydrophobicContact CE2-CD2 3.79Å; Y132-L145 HydrophobicContact CE2-CG 3.99Å; A141-L145 WeakPolarHBondContact O-CG 3.19Å; A141-L145 PolarHBondContact O-N 2.87Å; G142-L145 PolarHBondContact O-N 2.9Å; L145-A148 PolarHBondContact O-N 2.94Å; L145-A149 PolarHBondContact O-N 3.36Å
146L94.3Very high93.6Very high39 Ų3921 Ų2120%0.20412%0.12CC..Hα-helixtrans-63.6-46.1175.6-74.2169.8000111.8G142 A143 A148 A149 M150 V422 L426G142-L146 PolarHBondContact O-N 3.41Å; A143-L146 PolarHBondContact O-N 3.21Å; L146-A148 VanDerWaalsContact C-N 3.3Å; L146-A148 PolarHBondContact O-N 2.82Å; L146-A149 PolarHBondContact O-N 2.74Å; L146-M150 WeakPolarHBondContact O-CB 3.13Å; L146-M150 VanDerWaalsContact O-CG 3.26Å; L146-M150 WeakPolarHBondContact O-CG 3.28Å; L146-M150 PolarHBondContact O-N 2.9Å; L146-V422 HydrophobicContact CD1-CB 4.32Å; L146-V422 HydrophobicContact CD1-CG1 3.94Å; L146-L426 HydrophobicContact CD1-CD1 4.22Å
147A95.4Very high93.5Very high0 Ų016.4 Ų16.40%010%0.1CC..Hα-helixtrans-62-39177.500000112T131 T135 A143 G144 M150 I151T131-A147 HydrophobicContact CG2-CB 4.01Å; T135-A147 HydrophobicContact CG2-CB 3.93Å; T135-A147 WeakPolarHBondContact OG1-CB 3.22Å; A143-A147 WeakPolarHBondContact O-CB 3.22Å; A143-A147 PolarHBondContact O-N 2.9Å; G144-A147 PolarHBondContact O-N 2.94Å; A147-M150 PolarHBondContact O-N 3.33Å; A147-I151 WeakPolarHBondContact O-CG2 3.5Å; A147-I151 PolarHBondContact O-N 3.49Å
148A95.8Very high93.6Very high1 Ų114 Ų141%0.0089%0.088CC..Hα-helixtrans-64.5-43.6174.600000112.4L23 T128 G144 L145 L146 I151 A152L23-A148 HydrophobicContact CD2-CB 4.05Å; T128-A148 HydrophobicContact CG2-CB 3.83Å; T128-A148 WeakPolarHBondContact CG2-O 3.13Å; G144-A148 WeakPolarHBondContact O-CB 3.47Å; G144-A148 PolarHBondContact O-N 3.48Å; L145-A148 PolarHBondContact O-N 2.94Å; L146-A148 VanDerWaalsContact C-N 3.3Å; L146-A148 PolarHBondContact O-N 2.82Å; A148-I151 WeakPolarHBondContact O-CG2 3.25Å; A148-A152 WeakPolarHBondContact O-CB 3.43Å; A148-A152 PolarHBondContact O-N 3.24Å
149A94.6Very high93.5Very high44 Ų4415.2 Ų15.236%0.36410%0.098SC..Hα-helixtrans-65.2-38.9175.800000112.3L145 L146L145-A149 PolarHBondContact O-N 3.36Å; L146-A149 PolarHBondContact O-N 2.74Å
150M94.6Very high93.6Very high6 Ų615.2 Ų15.23%0.0310%0.097CC..Hα-helixtrans-67-45.9179.4-72.2171.8-179.800112.5L146 A147 A152 V153 V154 L367 C415 V422 L468 Y471L146-M150 WeakPolarHBondContact O-CB 3.13Å; L146-M150 VanDerWaalsContact O-CG 3.26Å; L146-M150 WeakPolarHBondContact O-CG 3.28Å; L146-M150 PolarHBondContact O-N 2.9Å; A147-M150 PolarHBondContact O-N 3.33Å; M150-A152 VanDerWaalsContact C-N 3.29Å; M150-A152 PolarHBondContact O-N 2.99Å; M150-V153 PolarHBondContact O-N 3.33Å; M150-V154 PolarHBondContact O-N 3.42Å; M150-V154 VanDerWaalsContact O-N 3.16Å; M150-L367 HydrophobicContact CB-CD2 4.39Å; M150-L367 HydrophobicContact CG-CD2 4.26Å; M150-L367 HydrophobicContact SD-CD2 3.72Å; M150-C415 HydrophobicContact CB-CB 4.17Å; M150-V422 HydrophobicContact CE-CB 4.23Å; M150-V422 HydrophobicContact CE-CG2 3.89Å; M150-L468 HydrophobicContact CE-CD2 3.83Å; M150-Y471 HydrophobicContact CG-CE1 4.46Å; M150-Y471 PolarHBondContact O-OH 3.5Å; M150-Y471 VanDerWaalsContact O-OH 3.07Å
151I95Very high93.6Very high0 Ų012.5 Ų12.50%08%0.082CC..Hα-helixtrans-70.5-26.3-179.4-161.2170000112.6T127 T131 A147 A148 V153 V154 Y157 L177 P412 C415T127-I151 HydrophobicContact CG2-CD1 3.85Å; T131-I151 HydrophobicContact CG2-CB 4.5Å; T131-I151 HydrophobicContact CG2-CD1 4.28Å; T131-I151 HydrophobicContact CG2-CG2 4.05Å; T131-I151 WeakPolarHBondContact OG1-CD1 3.26Å; A147-I151 WeakPolarHBondContact O-CG2 3.5Å; A147-I151 PolarHBondContact O-N 3.49Å; A148-I151 WeakPolarHBondContact O-CG2 3.25Å; I151-V153 PolarHBondContact O-N 3.13Å; I151-V154 HydrophobicContact CG1-CG1 4.16Å; I151-Y157 HydrophobicContact CG1-CD1 4.39Å; I151-L177 HydrophobicContact CD1-CD1 4.02Å; I151-P412 HydrophobicContact CD1-CB 4.01Å; I151-P412 HydrophobicContact CD1-CG 4.26Å; I151-C415 HydrophobicContact CB-CB 4.15Å
152A94.8Very high93.7Very high0 Ų011.8 Ų11.80%08%0.075CC..Hα-helixtrans-58.4-36.9177.600000112A26 R34 T128 A148 M150A26-A152 WeakPolarHBondContact O-CB 3.48Å; R34-A152 PolarHBondContact NH1-O 3.09Å; T128-A152 HydrophobicContact CG2-CB 4.44Å; A148-A152 WeakPolarHBondContact O-CB 3.43Å; A148-A152 PolarHBondContact O-N 3.24Å; M150-A152 VanDerWaalsContact C-N 3.29Å; M150-A152 PolarHBondContact O-N 2.99Å
153V94.5Very high93.7Very high4 Ų410.2 Ų10.22%0.0246%0.06CC..Hα-helixtrans-111.7-2.1-174.3-57.70000114.5L29 T33 M150 I151 P155 I158 Y471 S475L29-V153 HydrophobicContact CD2-CG1 3.58Å; L29-V153 HydrophobicContact CG-CG1 3.86Å; T33-V153 HydrophobicContact CG2-CG1 4.33Å; M150-V153 PolarHBondContact O-N 3.33Å; I151-V153 PolarHBondContact O-N 3.13Å; V153-P155 VanDerWaalsContact O-CD 3.28Å; V153-P155 WeakPolarHBondContact O-CD 3.24Å; V153-I158 VanDerWaalsContact O-CD1 3.24Å; V153-I158 WeakPolarHBondContact O-CD1 3.35Å; V153-Y471 HydrophobicContact CG2-CD1 4.29Å; V153-Y471 HydrophobicContact CG2-CE1 3.53Å; V153-S475 VanDerWaalsContact O-CB 3.27Å; V153-S475 WeakPolarHBondContact O-CB 3.27Å
154V94.4Very high93.5Very high0 Ų010.2 Ų10.20%06%0.06CC..  trans-63.9120.6-172.267.70000112.6M150 I151 G156 Y157 I158 L364 L367 A411 Y471M150-V154 PolarHBondContact O-N 3.42Å; M150-V154 VanDerWaalsContact O-N 3.16Å; I151-V154 HydrophobicContact CG1-CG1 4.16Å; V154-G156 VanDerWaalsContact C-N 3.32Å; V154-G156 PolarHBondContact O-N 3.42Å; V154-Y157 PolarHBondContact O-N 3.34Å; V154-Y157 VanDerWaalsContact O-N 3.17Å; V154-I158 WeakPolarHBondContact O-CG1 3.43Å; V154-I158 PolarHBondContact O-N 3.28Å; V154-I158 VanDerWaalsContact O-N 3.08Å; V154-L364 HydrophobicContact CG2-CD2 3.91Å; V154-L367 HydrophobicContact CG2-CD1 3.81Å; V154-A411 HydrophobicContact CG1-CB 4.44Å; V154-A411 HydrophobicContact CG2-CB 4.46Å; V154-Y471 WeakPolarHBondContact CA-OH 3.13Å; V154-Y471 WeakPolarHBondContact CB-OH 3.06Å
155P93.4Very high93.3Very high0 Ų010.6 Ų10.60%06%0.062CC..Hα-helixtrans-58.7-38.5-178.1-28.235.4000114.2V153 Y157 I158 S159 D363 V478 Y483V153-P155 VanDerWaalsContact O-CD 3.28Å; V153-P155 WeakPolarHBondContact O-CD 3.24Å; P155-Y157 PolarHBondContact O-N 3.17Å; P155-I158 PolarHBondContact O-N 3.16Å; P155-S159 PolarHBondContact O-N 2.76Å; P155-D363 VanDerWaalsContact CD-O 3.31Å; P155-D363 WeakPolarHBondContact CD-O 3.44Å; P155-V478 HydrophobicContact CB-CB 4.33Å; P155-V478 HydrophobicContact CB-CG1 3.75Å; P155-V478 HydrophobicContact CG-CB 4.2Å; P155-V478 HydrophobicContact CG-CG1 4.15Å; P155-Y483 HydrophobicContact CB-CE2 3.96Å
156G90.9Very high93.2Very high1 Ų19.5 Ų9.51%0.016%0.056CC..Hα-helixtrans-57.1-32.7178.200000114V154 S159 D363V154-G156 VanDerWaalsContact C-N 3.32Å; V154-G156 PolarHBondContact O-N 3.42Å; G156-S159 PolarHBondContact O-OG 3.4Å; G156-D363 PolarHBondContact N-O 3.23Å
157Y93.7Very high93Very high1 Ų18 Ų80%0.0045%0.048CC..Hα-helixtrans-85.5-35.5172.9179.8-136.2000112.4S124 T127 I151 V154 P155 S159 S161 I173 L408S124-Y157 VanDerWaalsContact OG-CE1 3.29Å; S124-Y157 WeakPolarHBondContact OG-CE1 3.25Å; T127-Y157 HydrophobicContact CG2-CE1 4.11Å; T127-Y157 PolarHBondContact OG1-OH 3.49Å; I151-Y157 HydrophobicContact CG1-CD1 4.39Å; V154-Y157 PolarHBondContact O-N 3.34Å; V154-Y157 VanDerWaalsContact O-N 3.17Å; P155-Y157 PolarHBondContact O-N 3.17Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 3.06Å; Y157-S161 WeakPolarHBondContact O-CB 3.33Å; Y157-S161 PolarHBondContact O-N 2.87Å; Y157-S161 PolarHBondContact O-OG 3.49Å; Y157-I173 HydrophobicContact CD2-CB 4.34Å; Y157-I173 HydrophobicContact CD2-CG1 4.09Å; Y157-I173 HydrophobicContact CD2-CG2 4.24Å; Y157-I173 HydrophobicContact CE2-CB 3.71Å; Y157-I173 HydrophobicContact CE2-CG1 3.77Å; Y157-I173 HydrophobicContact CE2-CG2 3.91Å; Y157-L408 HydrophobicContact CD2-CD1 3.87Å
158I93.5Very high92.9Very high0 Ų09.2 Ų9.20%06%0.055CC..Hα-helixtrans-60.9-37.5179.3-70.3170.4000111.4R34 V153 V154 P155 R160 S161 V162 T479R34-I158 HydrophobicContact CG-CG2 4.45Å; R34-I158 VanDerWaalsContact NH2-CG1 3.3Å; V153-I158 VanDerWaalsContact O-CD1 3.24Å; V153-I158 WeakPolarHBondContact O-CD1 3.35Å; V154-I158 WeakPolarHBondContact O-CG1 3.43Å; V154-I158 PolarHBondContact O-N 3.28Å; V154-I158 VanDerWaalsContact O-N 3.08Å; P155-I158 PolarHBondContact O-N 3.16Å; I158-R160 PolarHBondContact O-N 3.31Å; I158-S161 WeakPolarHBondContact CA-OG 3.47Å; I158-S161 CarbonylContact O-C 3.44Å; I158-S161 PolarHBondContact O-N 3.36Å; I158-V162 HydrophobicContact CG2-CG2 3.85Å; I158-V162 WeakPolarHBondContact O-CG2 3.46Å; I158-V162 PolarHBondContact O-N 3.46Å; I158-T479 HydrophobicContact CD1-CG2 4.42Å; I158-T479 WeakPolarHBondContact CD1-OG1 3.2Å; I158-T479 HydrophobicContact CG2-CG2 3.59Å
159S90.5Very high92.6Very high34 Ų349.2 Ų9.224%0.2386%0.055CC..THydrogen-bonded Turntrans-45.7-36.3-178.9680000115.1P155 G156 Y157 Y483P155-S159 PolarHBondContact O-N 2.76Å; G156-S159 PolarHBondContact O-OG 3.4Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 3.06Å; S159-Y483 VanDerWaalsContact CB-CE1 3.43Å
160R89.9Confident92.1Very high54 Ų547.2 Ų7.220%0.2044%0.039CC..THydrogen-bonded Turntrans-116.914.1178.4-62.8-69.5176147.6-5.2113.6I158 D167 E169 E351 L408I158-R160 PolarHBondContact O-N 3.31Å; R160-D167 IonicContact NH1-OD2 3.83Å; R160-E169 HydrophobicContact CB-CB 4.16Å; R160-E351 IonicContact CZ-OE1 3.48Å; R160-E351 VanDerWaalsContact CZ-OE1 3.26Å; R160-E351 IonicContact NH1-OE1 3.71Å; R160-E351 PolarHBondContact NH1-OE1 3.34Å; R160-E351 IonicContact NH2-OE1 2.86Å; R160-E351 PolarHBondContact NH2-OE1 3.29Å; R160-L408 HydrophobicContact CB-CD1 4.1Å
161S93.3Very high92.1Very high0 Ų07 Ų70%04%0.037CC..THydrogen-bonded Turntrans-127.811.6176.962.80000114.2R34 Y157 I158R34-S161 WeakPolarHBondContact CD-O 3.3Å; R34-S161 PolarHBondContact NE-OG 3.39Å; R34-S161 PolarHBondContact NH2-OG 3.29Å; Y157-S161 WeakPolarHBondContact O-CB 3.33Å; Y157-S161 PolarHBondContact O-N 2.87Å; Y157-S161 PolarHBondContact O-OG 3.49Å; I158-S161 WeakPolarHBondContact CA-OG 3.47Å; I158-S161 CarbonylContact O-C 3.44Å; I158-S161 PolarHBondContact O-N 3.36Å
162V92.8Very high92Very high5 Ų57 Ų73%0.034%0.037CC..SBendtrans-58.4145.8170.5-175.80000110.3A37 I158 G164 S165A37-V162 HydrophobicContact CB-CG1 3.93Å; I158-V162 HydrophobicContact CG2-CG2 3.85Å; I158-V162 WeakPolarHBondContact O-CG2 3.46Å; I158-V162 PolarHBondContact O-N 3.46Å; V162-G164 PolarHBondContact O-N 2.93Å; V162-S165 WeakPolarHBondContact O-CB 3.09Å; V162-S165 PolarHBondContact O-N 2.62Å
163A92.6Very high92Very high0 Ų07 Ų70%04%0.037CC..THydrogen-bonded Turntrans-57.2130.4172.900000110.4R34 L35 V38 H46 V117 P121R34-A163 VanDerWaalsContact O-CB 3.26Å; R34-A163 WeakPolarHBondContact O-CB 3.31Å; R34-A163 PolarHBondContact O-N 3.26Å; L35-A163 HydrophobicContact CD2-CB 4.07Å; V38-A163 HydrophobicContact CG2-CB 3.61Å; H46-A163 PolarHBondContact CD2-O 2.73Å; H46-A163 VanDerWaalsContact CD2-O 3.31Å; H46-A163 PolarHBondContact NE2-O 2.86Å; V117-A163 WeakPolarHBondContact O-CA 3.34Å; P121-A163 HydrophobicContact CG-CB 3.75Å
164G89.2Confident92Very high0 Ų08.2 Ų8.20%04%0.042CC..THydrogen-bonded Turntrans98.4-22.1-173.400000114.5V44 I45 H46 V117 V162 Y166V44-G164 WeakPolarHBondContact O-CA 3.19Å; I45-G164 WeakPolarHBondContact CA-O 3.45Å; H46-G164 PolarHBondContact N-O 3.06Å; V117-G164 PolarHBondContact O-N 3.27Å; V162-G164 PolarHBondContact O-N 2.93Å; G164-Y166 VanDerWaalsContact C-N 3.31Å; G164-Y166 PolarHBondContact O-N 3.08Å
165S90.4Very high92.1Very high8 Ų88.2 Ų8.26%0.0564%0.042CC..  trans-80.675.2173.4-177.80000110.7V162 D167V162-S165 WeakPolarHBondContact O-CB 3.09Å; V162-S165 PolarHBondContact O-N 2.62Å; S165-D167 PolarHBondContact O-N 2.89Å
166Y92.9Very high92.2Very high3 Ų38.2 Ų8.21%0.0124%0.042CC..  trans-78.464178.8-174.4-113000112P50 N53 T57 L92 S96 C116 L119 G164P50-Y166 WeakPolarHBondContact CA-O 3.2Å; P50-Y166 WeakPolarHBondContact CB-O 3.26Å; N53-Y166 HydrophobicContact CB-CD1 3.48Å; N53-Y166 VanDerWaalsContact CB-CD1 3.48Å; N53-Y166 HydrophobicContact CB-CE1 3.52Å; N53-Y166 PolarHBondContact ND2-O 3.39Å; T57-Y166 PolarHBondContact OG1-OH 2.87Å; L92-Y166 HydrophobicContact CD1-CD2 4.16Å; L92-Y166 HydrophobicContact CD1-CE2 3.61Å; L92-Y166 HydrophobicContact CD2-CD1 4.2Å; L92-Y166 HydrophobicContact CD2-CD2 4.41Å; L92-Y166 HydrophobicContact CD2-CE1 3.89Å; L92-Y166 HydrophobicContact CD2-CE2 4.13Å; L92-Y166 HydrophobicContact CD2-CG 4.45Å; L92-Y166 HydrophobicContact CG-CD2 4.47Å; L92-Y166 HydrophobicContact CG-CE1 4.1Å; L92-Y166 HydrophobicContact CG-CE2 3.79Å; L92-Y166 PolarHBondContact O-OH 2.91Å; S96-Y166 WeakPolarHBondContact CB-OH 3.34Å; S96-Y166 VanDerWaalsContact OG-CE2 3.3Å; S96-Y166 WeakPolarHBondContact OG-CE2 3.48Å; S96-Y166 PolarHBondContact OG-OH 2.66Å; C116-Y166 HydrophobicContact CB-CD1 4.12Å; C116-Y166 HydrophobicContact CB-CD2 3.76Å; C116-Y166 HydrophobicContact CB-CE1 4.32Å; C116-Y166 HydrophobicContact CB-CE2 3.95Å; C116-Y166 HydrophobicContact CB-CG 3.83Å; C116-Y166 VanDerWaalsContact O-CD2 3.24Å; C116-Y166 WeakPolarHBondContact O-CD2 3.34Å; L119-Y166 HydrophobicContact CB-CD2 4.4Å; L119-Y166 HydrophobicContact CB-CE2 4.41Å; L119-Y166 HydrophobicContact CD2-CD2 4.26Å; L119-Y166 HydrophobicContact CD2-CE2 3.67Å; G164-Y166 VanDerWaalsContact C-N 3.31Å; G164-Y166 PolarHBondContact O-N 3.08Å
167D92.1Very high92.4Very high7 Ų78.1 Ų8.14%0.0374%0.042CC..  trans-109.3161.8178.6-152.1-4.6000111.8P50 R160 S165 E169 G170P50-D167 HydrophobicContact CG-CB 4.29Å; R160-D167 IonicContact NH1-OD2 3.83Å; S165-D167 PolarHBondContact O-N 2.89Å; D167-E169 PolarHBondContact O-N 3.28Å; D167-G170 PolarHBondContact O-N 3.17Å
168N91.9Very high92.5Very high25 Ų259.8 Ų9.813%0.1345%0.05CC..THydrogen-bonded Turntrans-60.9-32.8-174.4-66.4-51.8000112.4G170 I171 A172 S208 W209N168-G170 PolarHBondContact O-N 3Å; N168-I171 PolarHBondContact O-N 2.98Å; N168-A172 WeakPolarHBondContact O-CB 3.37Å; N168-A172 PolarHBondContact O-N 3.43Å; N168-S208 WeakPolarHBondContact CB-O 3.35Å; N168-S208 PolarHBondContact OD1-O 2.77Å; N168-W209 HydrophobicContact CB-CB 4.45Å
169E89.1Confident92.7Very high2 Ų29.8 Ų9.81%0.0095%0.05CC..Hα-helixtrans-53.9-34177.7-78.974.9-175.800113.1R160 D167 I171 A172 I173 W209 R405 L408R160-E169 HydrophobicContact CB-CB 4.16Å; D167-E169 PolarHBondContact O-N 3.28Å; E169-I171 VanDerWaalsContact C-N 3.28Å; E169-I171 PolarHBondContact O-N 2.6Å; E169-A172 PolarHBondContact O-N 2.87Å; E169-I173 PolarHBondContact O-N 3.29Å; E169-W209 PolarHBondContact OE1-NE1 3.18Å; E169-R405 IonicContact OE1-CZ 2.77Å; E169-R405 VanDerWaalsContact OE1-CZ 3.28Å; E169-R405 IonicContact OE1-NE 3.61Å; E169-R405 PolarHBondContact OE1-NE 3.07Å; E169-R405 VanDerWaalsContact OE1-NE 3.08Å; E169-R405 IonicContact OE1-NH2 3.21Å; E169-R405 PolarHBondContact OE1-NH2 3.11Å; E169-R405 IonicContact OE2-NH2 2.61Å; E169-L408 HydrophobicContact CB-CD2 3.62Å; E169-L408 HydrophobicContact CG-CD2 3.32Å
170G85.6Confident92.9Very high2 Ų28.1 Ų8.12%0.0214%0.039CC..Hα-helixtrans-59.4-38.7-178.500000112.7F123 D167 N168F123-G170 WeakPolarHBondContact CB-O 3.27Å; D167-G170 PolarHBondContact O-N 3.17Å; N168-G170 PolarHBondContact O-N 3Å
171I92.9Very high93.2Very high0 Ų06.8 Ų6.80%03%0.034CC..Hα-helixtrans-89.5-36.3174.1-65.1-177.3000111.2L92 T95 L119 F123 N168 E169 I173 F174 C175 Y204 S208L92-I171 HydrophobicContact CB-CD1 4.43Å; L92-I171 HydrophobicContact CD1-CD1 3.55Å; L92-I171 HydrophobicContact CD1-CG1 3.96Å; T95-I171 HydrophobicContact CG2-CD1 3.94Å; L119-I171 HydrophobicContact CD2-CD1 3.94Å; L119-I171 HydrophobicContact CD2-CG1 4.18Å; F123-I171 HydrophobicContact CD1-CB 4.38Å; F123-I171 HydrophobicContact CD1-CG1 4.05Å; F123-I171 HydrophobicContact CD1-CG2 4.3Å; F123-I171 HydrophobicContact CD2-CG1 4.12Å; F123-I171 HydrophobicContact CE1-CG1 4.15Å; F123-I171 HydrophobicContact CE1-CG2 4.13Å; F123-I171 HydrophobicContact CE2-CD1 4.41Å; F123-I171 HydrophobicContact CE2-CG1 4.22Å; F123-I171 HydrophobicContact CG-CG1 4.03Å; F123-I171 HydrophobicContact CZ-CD1 4.33Å; F123-I171 HydrophobicContact CZ-CG1 4.25Å; N168-I171 PolarHBondContact O-N 2.98Å; E169-I171 VanDerWaalsContact C-N 3.28Å; E169-I171 PolarHBondContact O-N 2.6Å; I171-I173 VanDerWaalsContact C-N 3.31Å; I171-I173 PolarHBondContact O-N 3.49Å; I171-F174 WeakPolarHBondContact O-CB 3.45Å; I171-F174 PolarHBondContact O-N 2.9Å; I171-F174 VanDerWaalsContact O-N 3.08Å; I171-C175 WeakPolarHBondContact CG2-SG 2.86Å; I171-C175 PolarHBondContact O-N 3.28Å; I171-C175 PolarHBondContact O-SG 3.44Å; I171-C175 VanDerWaalsContact O-SG 3.36Å; I171-Y204 HydrophobicContact CG2-CE1 3.99Å; I171-Y204 WeakPolarHBondContact CG2-OH 3.43Å; I171-S208 WeakPolarHBondContact CG2-OG 3.27Å
172A93.7Very high93.4Very high0 Ų08.2 Ų8.20%04%0.041CC..Hα-helixtrans-57.6-40.8-17000000113.5N168 E169 F174 C175 M176 M205 W209N168-A172 WeakPolarHBondContact O-CB 3.37Å; N168-A172 PolarHBondContact O-N 3.43Å; E169-A172 PolarHBondContact O-N 2.87Å; A172-F174 PolarHBondContact O-N 3.09Å; A172-C175 PolarHBondContact O-N 2.94Å; A172-M176 VanDerWaalsContact O-CB 3.32Å; A172-M176 WeakPolarHBondContact O-CB 3.38Å; A172-M176 PolarHBondContact O-N 3.06Å; A172-M205 HydrophobicContact CB-CE 4.46Å; A172-M205 HydrophobicContact CB-SD 4.34Å; A172-W209 HydrophobicContact CB-CB 3.54Å; A172-W209 HydrophobicContact CB-CD2 3.86Å; A172-W209 HydrophobicContact CB-CE3 3.64Å; A172-W209 HydrophobicContact CB-CG 3.84Å
173I94.4Very high93.5Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-66.1-38.8179.5-60-57000111.7T127 Y157 E169 I171 M176 L177 L408 P412T127-I173 HydrophobicContact CG2-CG2 3.94Å; Y157-I173 HydrophobicContact CD2-CB 4.34Å; Y157-I173 HydrophobicContact CD2-CG1 4.09Å; Y157-I173 HydrophobicContact CD2-CG2 4.24Å; Y157-I173 HydrophobicContact CE2-CB 3.71Å; Y157-I173 HydrophobicContact CE2-CG1 3.77Å; Y157-I173 HydrophobicContact CE2-CG2 3.91Å; E169-I173 PolarHBondContact O-N 3.29Å; I171-I173 VanDerWaalsContact C-N 3.31Å; I171-I173 PolarHBondContact O-N 3.49Å; I173-M176 HydrophobicContact CD1-CE 3.65Å; I173-M176 HydrophobicContact CG2-CE 4.46Å; I173-M176 PolarHBondContact O-N 2.94Å; I173-L177 HydrophobicContact CG2-CD1 4.39Å; I173-L177 WeakPolarHBondContact O-CG 3.44Å; I173-L177 PolarHBondContact O-N 3.26Å; I173-L408 HydrophobicContact CD1-CD2 3.75Å; I173-L408 HydrophobicContact CD1-CG 3.76Å; I173-L408 HydrophobicContact CG1-CD1 4.44Å; I173-L408 HydrophobicContact CG1-CD2 3.83Å; I173-L408 HydrophobicContact CG1-CG 3.9Å; I173-P412 HydrophobicContact CG2-CG 3.72Å
174F95.6Very high93.6Very high30 Ų308.1 Ų8.113%0.1324%0.04CC..Hα-helixtrans-59.9-50171.8166.8-102.4000111.1F123 F126 T127 V130 I171 A172 M176 L177 L178 Y204F123-F174 HydrophobicContact CD1-CB 3.98Å; F123-F174 AromaticContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CD1 3.67Å; F123-F174 HydrophobicContact CD1-CE1 4.34Å; F123-F174 AromaticContact CD1-CG 3.87Å; F123-F174 HydrophobicContact CD1-CG 3.87Å; F123-F174 AromaticContact CE1-CD1 3.66Å; F123-F174 HydrophobicContact CE1-CD1 3.66Å; F123-F174 AromaticContact CE1-CE1 3.97Å; F123-F174 HydrophobicContact CE1-CE1 3.97Å; F123-F174 HydrophobicContact CE1-CG 4.32Å; F126-F174 HydrophobicContact CB-CD2 3.67Å; F126-F174 HydrophobicContact CB-CE2 3.57Å; F126-F174 HydrophobicContact CB-CZ 4.41Å; T127-F174 WeakPolarHBondContact OG1-CB 3.4Å; V130-F174 HydrophobicContact CG2-CD2 3.88Å; V130-F174 HydrophobicContact CG2-CE2 3.48Å; V130-F174 VanDerWaalsContact CG2-CE2 3.48Å; V130-F174 HydrophobicContact CG2-CZ 4.5Å; I171-F174 WeakPolarHBondContact O-CB 3.45Å; I171-F174 PolarHBondContact O-N 2.9Å; I171-F174 VanDerWaalsContact O-N 3.08Å; A172-F174 PolarHBondContact O-N 3.09Å; F174-M176 VanDerWaalsContact C-N 3.33Å; F174-M176 PolarHBondContact O-N 3.23Å; F174-L177 PolarHBondContact O-N 3.3Å; F174-L178 HydrophobicContact CE1-CD2 4.09Å; F174-L178 HydrophobicContact CZ-CD2 4.03Å; F174-L178 VanDerWaalsContact O-CB 3.24Å; F174-L178 WeakPolarHBondContact O-CB 3.29Å; F174-L178 PolarHBondContact O-N 3.3Å; F174-Y204 HydrophobicContact CD1-CE1 4.31Å; F174-Y204 HydrophobicContact CE1-CE1 4.18Å
175C95.3Very high93.9Very high0 Ų010 Ų100%05%0.049CC..Hα-helixtrans-61.2-41.1179.9-62.90000112.6I171 A172 L178 T179 Y204 M205I171-C175 WeakPolarHBondContact CG2-SG 2.86Å; I171-C175 PolarHBondContact O-N 3.28Å; I171-C175 PolarHBondContact O-SG 3.44Å; I171-C175 VanDerWaalsContact O-SG 3.36Å; A172-C175 PolarHBondContact O-N 2.94Å; C175-L178 PolarHBondContact O-N 3.4Å; C175-T179 WeakPolarHBondContact O-CB 3.4Å; C175-T179 PolarHBondContact O-N 2.87Å; C175-T179 PolarHBondContact O-OG1 2.7Å; C175-Y204 HydrophobicContact CB-CD1 4.35Å; C175-Y204 WeakPolarHBondContact SG-CD1 2.93Å; C175-Y204 WeakPolarHBondContact SG-CE1 3.4Å; C175-M205 HydrophobicContact CB-CB 3.9Å; C175-M205 HydrophobicContact CB-CG 4.41Å; C175-M205 HydrophobicContact CB-SD 3.7Å
176M95.5Very high94.1Very high0 Ų09.7 Ų9.70%05%0.046CC..Hα-helixtrans-61.4-53177.7177.4177.168.700111.4A172 I173 F174 L178 T179 Y180 M205 L215 Y392 V409 P412A172-M176 VanDerWaalsContact O-CB 3.32Å; A172-M176 WeakPolarHBondContact O-CB 3.38Å; A172-M176 PolarHBondContact O-N 3.06Å; I173-M176 HydrophobicContact CD1-CE 3.65Å; I173-M176 HydrophobicContact CG2-CE 4.46Å; I173-M176 PolarHBondContact O-N 2.94Å; F174-M176 VanDerWaalsContact C-N 3.33Å; F174-M176 PolarHBondContact O-N 3.23Å; M176-L178 VanDerWaalsContact C-N 3.3Å; M176-L178 PolarHBondContact O-N 2.88Å; M176-T179 PolarHBondContact O-N 3.01Å; M176-Y180 HydrophobicContact CG-CD2 4.02Å; M176-Y180 HydrophobicContact CG-CE2 3.48Å; M176-Y180 VanDerWaalsContact CG-CE2 3.48Å; M176-Y180 PolarHBondContact O-N 3.3Å; M176-Y180 HydrophobicContact SD-CE2 4.06Å; M176-M205 HydrophobicContact CB-CE 4.27Å; M176-M205 HydrophobicContact CB-SD 4.3Å; M176-L215 HydrophobicContact CB-CD1 4.39Å; M176-L215 HydrophobicContact CG-CD1 3.89Å; M176-L215 HydrophobicContact CG-CG 4.41Å; M176-L215 HydrophobicContact SD-CD1 4.32Å; M176-Y392 WeakPolarHBondContact CE-OH 3.41Å; M176-V409 HydrophobicContact CE-CG1 4.33Å; M176-V409 HydrophobicContact SD-CG1 4.05Å; M176-P412 HydrophobicContact CE-CG 4.28Å
177L95.5Very high94.2Very high0 Ų09.8 Ų9.80%05%0.047CC..Hα-helixtrans-66-34.9179.2-64.2-176.9000112.3T127 V130 T131 L134 I151 I173 F174 T179 Y180 Y181 P412 I416T127-L177 HydrophobicContact CG2-CD1 3.73Å; V130-L177 HydrophobicContact CG1-CB 3.76Å; T131-L177 VanDerWaalsContact OG1-CD1 3.24Å; T131-L177 WeakPolarHBondContact OG1-CD1 3.31Å; L134-L177 HydrophobicContact CD2-CD2 3.96Å; I151-L177 HydrophobicContact CD1-CD1 4.02Å; I173-L177 HydrophobicContact CG2-CD1 4.39Å; I173-L177 WeakPolarHBondContact O-CG 3.44Å; I173-L177 PolarHBondContact O-N 3.26Å; F174-L177 PolarHBondContact O-N 3.3Å; L177-T179 VanDerWaalsContact C-N 3.34Å; L177-Y180 PolarHBondContact O-N 3.16Å; L177-Y181 WeakPolarHBondContact O-CB 3.32Å; L177-Y181 PolarHBondContact O-N 3.26Å; L177-P412 HydrophobicContact CD1-CB 3.99Å; L177-P412 HydrophobicContact CD1-CG 4.46Å; L177-P412 HydrophobicContact CD2-CB 3.78Å; L177-P412 HydrophobicContact CG-CB 4.32Å; L177-I416 HydrophobicContact CD2-CD1 4.47Å
178L96.3Very high94.2Very high35 Ų3513.3 Ų13.318%0.1836%0.062CC..Hα-helixtrans-63.3-43.9175.6-178.165.4000110.5V130 F174 C175 M176 Y181 M182 A201V130-L178 HydrophobicContact CG1-CB 4.3Å; V130-L178 HydrophobicContact CG2-CD1 4.3Å; F174-L178 HydrophobicContact CE1-CD2 4.09Å; F174-L178 HydrophobicContact CZ-CD2 4.03Å; F174-L178 VanDerWaalsContact O-CB 3.24Å; F174-L178 WeakPolarHBondContact O-CB 3.29Å; F174-L178 PolarHBondContact O-N 3.3Å; C175-L178 PolarHBondContact O-N 3.4Å; M176-L178 VanDerWaalsContact C-N 3.3Å; M176-L178 PolarHBondContact O-N 2.88Å; L178-Y181 PolarHBondContact O-N 3.4Å; L178-M182 HydrophobicContact CD1-CE 3.84Å; L178-M182 VanDerWaalsContact O-CG 3.28Å; L178-M182 WeakPolarHBondContact O-CG 3.37Å; L178-M182 PolarHBondContact O-N 3.24Å; L178-A201 HydrophobicContact CD2-CB 4.2Å; L178-A201 HydrophobicContact CG-CB 4.13Å
179T96.6Very high94.2Very high0 Ų015.4 Ų15.40%08%0.076CC..Hα-helixtrans-62.8-45.2176.9-560000110.9C175 M176 L177 Y181 M182 W183 A201 Y202 L215C175-T179 WeakPolarHBondContact O-CB 3.4Å; C175-T179 PolarHBondContact O-N 2.87Å; C175-T179 PolarHBondContact O-OG1 2.7Å; M176-T179 PolarHBondContact O-N 3.01Å; L177-T179 VanDerWaalsContact C-N 3.34Å; T179-Y181 PolarHBondContact O-N 3.25Å; T179-M182 PolarHBondContact O-N 3.19Å; T179-W183 VanDerWaalsContact O-CB 3.27Å; T179-W183 WeakPolarHBondContact O-CB 3.45Å; T179-W183 PolarHBondContact O-N 3.17Å; T179-A201 PolarHBondContact OG1-O 3.26Å; T179-Y202 PolarHBondContact OG1-N 2.84Å; T179-L215 HydrophobicContact CG2-CD2 3.83Å
180Y95.7Very high94.3Very high0 Ų016.2 Ų16.20%09%0.085CC..Hα-helixtrans-64.9-38.7176.9-65.5-22.7000113.5M176 L177 W183 I184 F214 L215 L218 F388 Y392M176-Y180 HydrophobicContact CG-CD2 4.02Å; M176-Y180 HydrophobicContact CG-CE2 3.48Å; M176-Y180 VanDerWaalsContact CG-CE2 3.48Å; M176-Y180 PolarHBondContact O-N 3.3Å; M176-Y180 HydrophobicContact SD-CE2 4.06Å; L177-Y180 PolarHBondContact O-N 3.16Å; Y180-W183 PolarHBondContact O-N 3.2Å; Y180-I184 WeakPolarHBondContact O-CG1 3.41Å; Y180-I184 PolarHBondContact O-N 3.35Å; Y180-F214 VanDerWaalsContact OH-CD1 3.26Å; Y180-F214 WeakPolarHBondContact OH-CD1 3.34Å; Y180-F214 WeakPolarHBondContact OH-CE1 3.3Å; Y180-L215 HydrophobicContact CE1-CB 4.4Å; Y180-L215 HydrophobicContact CE1-CD2 4.4Å; Y180-L215 HydrophobicContact CE1-CG 3.76Å; Y180-L218 HydrophobicContact CE1-CD2 4.16Å; Y180-L218 HydrophobicContact CE2-CD2 4.45Å; Y180-L218 WeakPolarHBondContact OH-CD2 3.45Å; Y180-F388 AromaticContact CD1-CE1 3.9Å; Y180-F388 HydrophobicContact CD1-CE1 3.9Å; Y180-F388 HydrophobicContact CD1-CE2 4.45Å; Y180-F388 AromaticContact CD1-CZ 3.38Å; Y180-F388 HydrophobicContact CD1-CZ 3.38Å; Y180-F388 HydrophobicContact CD2-CE1 4.23Å; Y180-F388 HydrophobicContact CD2-CZ 4.33Å; Y180-F388 HydrophobicContact CE1-CE1 4.42Å; Y180-F388 AromaticContact CE1-CZ 3.61Å; Y180-F388 HydrophobicContact CE1-CZ 3.61Å; Y180-F388 AromaticContact CG-CE1 3.79Å; Y180-F388 HydrophobicContact CG-CE1 3.79Å; Y180-F388 AromaticContact CG-CZ 3.77Å; Y180-F388 HydrophobicContact CG-CZ 3.77Å; Y180-Y392 HydrophobicContact CD2-CD1 4.34Å; Y180-Y392 HydrophobicContact CD2-CE1 4.01Å; Y180-Y392 HydrophobicContact CE2-CD1 4.19Å; Y180-Y392 HydrophobicContact CE2-CD2 4.21Å; Y180-Y392 AromaticContact CE2-CE1 3.84Å; Y180-Y392 HydrophobicContact CE2-CE1 3.84Å; Y180-Y392 AromaticContact CE2-CE2 3.92Å; Y180-Y392 HydrophobicContact CE2-CE2 3.92Å; Y180-Y392 HydrophobicContact CE2-CG 4.37Å; Y180-Y392 AromaticContact CE2-CZ 3.73Å
181Y96.1Very high94.6Very high26 Ų2618.2 Ų18.210%0.10210%0.098CC..Hα-helixtrans-61.8-48.2174.1166-115.8000111.4H133 E137 L177 L178 T179 W183 I184 K185H133-Y181 HydrophobicContact CB-CD2 4.06Å; H133-Y181 HydrophobicContact CB-CE1 4.41Å; H133-Y181 HydrophobicContact CB-CE2 3.84Å; H133-Y181 HydrophobicContact CB-CG 4.46Å; E137-Y181 HydrophobicContact CG-CD2 4.21Å; E137-Y181 HydrophobicContact CG-CE2 3.9Å; L177-Y181 WeakPolarHBondContact O-CB 3.32Å; L177-Y181 PolarHBondContact O-N 3.26Å; L178-Y181 PolarHBondContact O-N 3.4Å; T179-Y181 PolarHBondContact O-N 3.25Å; Y181-W183 VanDerWaalsContact C-N 3.33Å; Y181-W183 PolarHBondContact O-N 3.16Å; Y181-I184 PolarHBondContact O-N 3.05Å; Y181-K185 HydrophobicContact CE2-CD 4.27Å; Y181-K185 WeakPolarHBondContact O-CB 3.49Å; Y181-K185 PolarHBondContact O-N 3.05Å; Y181-K185 PolarHBondContact OH-NZ 3.05Å
182M96.1Very high94.7Very high30 Ų3023.2 Ų23.215%0.14812%0.124CC..Hα-helixtrans-65.7-36.9178.4-64.1-60.2177.200111.8L178 T179 K185 A186 W194 K197 C198L178-M182 HydrophobicContact CD1-CE 3.84Å; L178-M182 VanDerWaalsContact O-CG 3.28Å; L178-M182 WeakPolarHBondContact O-CG 3.37Å; L178-M182 PolarHBondContact O-N 3.24Å; T179-M182 PolarHBondContact O-N 3.19Å; M182-K185 PolarHBondContact O-N 3.06Å; M182-A186 WeakPolarHBondContact O-CB 3.49Å; M182-A186 PolarHBondContact O-N 3.02Å; M182-W194 HydrophobicContact CE-CZ3 4.35Å; M182-W194 HydrophobicContact SD-CE3 3.68Å; M182-W194 HydrophobicContact SD-CZ3 3.58Å; M182-W194 VanDerWaalsContact SD-CZ3 3.58Å; M182-K197 HydrophobicContact SD-CB 4.36Å; M182-C198 HydrophobicContact CB-CB 3.78Å
183W96.4Very high94.8Very high0 Ų026.5 Ų26.50%015%0.146CC..Hα-helixtrans-61.4-53.4174.9172.8-115.2000112.1T179 Y180 Y181 K185 A186 V187 I219 H222 V223 A239 Y240 V243 F388T179-W183 VanDerWaalsContact O-CB 3.27Å; T179-W183 WeakPolarHBondContact O-CB 3.45Å; T179-W183 PolarHBondContact O-N 3.17Å; Y180-W183 PolarHBondContact O-N 3.2Å; Y181-W183 VanDerWaalsContact C-N 3.33Å; Y181-W183 PolarHBondContact O-N 3.16Å; W183-K185 PolarHBondContact O-N 3.3Å; W183-A186 WeakPolarHBondContact O-CB 3.3Å; W183-A186 PolarHBondContact O-N 2.83Å; W183-A186 VanDerWaalsContact O-N 3.09Å; W183-V187 HydrophobicContact CD2-CG2 4Å; W183-V187 HydrophobicContact CE3-CG2 4.36Å; W183-V187 HydrophobicContact CH2-CG2 3.96Å; W183-V187 HydrophobicContact CZ2-CG2 3.55Å; W183-V187 HydrophobicContact CZ3-CG2 4.35Å; W183-V187 WeakPolarHBondContact O-CG2 3.44Å; W183-V187 PolarHBondContact O-N 3.26Å; W183-I219 HydrophobicContact CD2-CG1 4.43Å; W183-I219 HydrophobicContact CD2-CG2 4.04Å; W183-I219 HydrophobicContact CE3-CG2 4.11Å; W183-I219 HydrophobicContact CG-CG1 4.43Å; W183-I219 HydrophobicContact CH2-CG2 3.77Å; W183-I219 HydrophobicContact CZ2-CG2 3.68Å; W183-I219 HydrophobicContact CZ3-CG2 3.98Å; W183-H222 AromaticContact CE2-ND1 3.76Å; W183-H222 AromaticContact CZ2-ND1 3.69Å; W183-H222 AromaticContact NE1-CE1 3.67Å; W183-H222 AromaticContact NE1-ND1 3.23Å; W183-H222 PolarHBondContact NE1-ND1 3.41Å; W183-V223 HydrophobicContact CH2-CG2 3.98Å; W183-V223 HydrophobicContact CZ2-CG2 3.83Å; W183-A239 HydrophobicContact CZ3-CB 4.23Å; W183-Y240 AromaticContact CH2-CD2 3.97Å; W183-Y240 HydrophobicContact CH2-CD2 3.97Å; W183-Y240 HydrophobicContact CH2-CG 4.47Å; W183-V243 HydrophobicContact CE3-CG2 4.08Å; W183-V243 HydrophobicContact CZ3-CB 4.29Å; W183-V243 HydrophobicContact CZ3-CG2 4.03Å; W183-F388 AromaticContact CD1-CD2 3.91Å; W183-F388 AromaticContact CD1-CE2 3.79Å; W183-F388 AromaticContact NE1-CD2 3.79Å; W183-F388 AromaticContact NE1-CE2 3.93Å
184I95Very high94.9Very high3 Ų329.4 Ų29.42%0.01516%0.157CC..Hα-helixtrans-60-39.1179.3-69-179.4000110.6L134 E137 L138 Y180 Y181 V187 K188 A385 F388 I389L134-I184 HydrophobicContact CD1-CD1 3.59Å; E137-I184 HydrophobicContact CB-CG2 4.3Å; L138-I184 HydrophobicContact CD2-CD1 3.92Å; Y180-I184 WeakPolarHBondContact O-CG1 3.41Å; Y180-I184 PolarHBondContact O-N 3.35Å; Y181-I184 PolarHBondContact O-N 3.05Å; I184-V187 PolarHBondContact O-N 2.95Å; I184-K188 HydrophobicContact CG2-CD 4.38Å; I184-K188 WeakPolarHBondContact O-CG 3.18Å; I184-K188 PolarHBondContact O-N 2.64Å; I184-A385 HydrophobicContact CG2-CB 3.67Å; I184-F388 HydrophobicContact CD1-CD1 3.78Å; I184-F388 HydrophobicContact CD1-CE1 4.4Å; I184-F388 HydrophobicContact CG1-CD1 4.05Å; I184-F388 HydrophobicContact CG1-CG 4.49Å; I184-I389 HydrophobicContact CD1-CD1 4.43Å; I184-I389 HydrophobicContact CD1-CG1 4.4Å
185K94.4Very high94.9Very high40 Ų4028 Ų2817%0.17415%0.151CC..Hα-helixtrans-66.9-39.3176.9-162.5165.9-170.5177.20112.5Y181 M182 W183 T189 W194Y181-K185 HydrophobicContact CE2-CD 4.27Å; Y181-K185 WeakPolarHBondContact O-CB 3.49Å; Y181-K185 PolarHBondContact O-N 3.05Å; Y181-K185 PolarHBondContact OH-NZ 3.05Å; M182-K185 PolarHBondContact O-N 3.06Å; W183-K185 PolarHBondContact O-N 3.3Å; K185-T189 WeakPolarHBondContact O-CB 3.24Å; K185-T189 WeakPolarHBondContact O-CG2 3.27Å; K185-T189 PolarHBondContact O-N 3.29Å; K185-T189 PolarHBondContact O-OG1 3.28Å; K185-W194 HydrophobicContact CD-CD2 3.73Å; K185-W194 HydrophobicContact CD-CE3 3.66Å; K185-W194 HydrophobicContact CD-CH2 3.79Å; K185-W194 HydrophobicContact CD-CZ2 3.82Å; K185-W194 HydrophobicContact CD-CZ3 3.69Å; K185-W194 VanDerWaalsContact CE-CH2 3.49Å; K185-W194 HydrophobicContact CG-CD2 3.88Å; K185-W194 HydrophobicContact CG-CE3 4.18Å; K185-W194 HydrophobicContact CG-CG 4.15Å; K185-W194 VanDerWaalsContact NZ-CZ2 3.27Å
186A95.1Very high94.9Very high0 Ų029.4 Ų29.40%016%0.163CC..Hα-helixtrans-63.1-44.7173.800000111.5M182 W183 K188 T189 G190 W194 A195 A239M182-A186 WeakPolarHBondContact O-CB 3.49Å; M182-A186 PolarHBondContact O-N 3.02Å; W183-A186 WeakPolarHBondContact O-CB 3.3Å; W183-A186 PolarHBondContact O-N 2.83Å; W183-A186 VanDerWaalsContact O-N 3.09Å; A186-K188 PolarHBondContact O-N 3.09Å; A186-T189 PolarHBondContact O-N 3.45Å; A186-G190 WeakPolarHBondContact O-CA 3.47Å; A186-G190 PolarHBondContact O-N 3.36Å; A186-W194 HydrophobicContact CB-CB 3.91Å; A186-A195 HydrophobicContact CB-CB 4.26Å; A186-A239 HydrophobicContact CB-CB 4.13Å
187V94.4Very high95Very high5 Ų533.8 Ų33.83%0.0318%0.182CC..Hα-helixtrans-61.6-45.4177.8170.60000111.7W183 I184 I236 D384W183-V187 HydrophobicContact CD2-CG2 4Å; W183-V187 HydrophobicContact CE3-CG2 4.36Å; W183-V187 HydrophobicContact CH2-CG2 3.96Å; W183-V187 HydrophobicContact CZ2-CG2 3.55Å; W183-V187 HydrophobicContact CZ3-CG2 4.35Å; W183-V187 WeakPolarHBondContact O-CG2 3.44Å; W183-V187 PolarHBondContact O-N 3.26Å; I184-V187 PolarHBondContact O-N 2.95Å; V187-I236 HydrophobicContact CG1-CG1 4.02Å; V187-D384 HydrophobicContact CG1-CB 4.3Å
188K92.8Very high95Very high81 Ų8133.8 Ų33.835%0.35218%0.182SC..Hα-helixtrans-65.8-44.8179.3-76.1-177.9172.2-167.30113.4E137 I184 A186E137-K188 WeakPolarHBondContact O-CE 3.32Å; E137-K188 PolarHBondContact O-NZ 2.99Å; E137-K188 IonicContact OE2-NZ 2.82Å; E137-K188 PolarHBondContact OE2-NZ 2.91Å; I184-K188 HydrophobicContact CG2-CD 4.38Å; I184-K188 WeakPolarHBondContact O-CG 3.18Å; I184-K188 PolarHBondContact O-N 2.64Å; A186-K188 PolarHBondContact O-N 3.09Å
189T92Very high95Very high69 Ų6932.1 Ų32.142%0.42317%0.173SC..Hα-helixtrans-84.5-28.2-174580000113.1K185 A186 S191K185-T189 WeakPolarHBondContact O-CB 3.24Å; K185-T189 WeakPolarHBondContact O-CG2 3.27Å; K185-T189 PolarHBondContact O-N 3.29Å; K185-T189 PolarHBondContact O-OG1 3.28Å; A186-T189 PolarHBondContact O-N 3.45Å; T189-S191 PolarHBondContact O-N 2.96Å; T189-S191 PolarHBondContact OG1-N 3.49Å
190G91Very high95Very high19 Ų1937 Ų3720%0.19620%0.199CC..  trans66.418.3-170.300000113.7A186A186-G190 WeakPolarHBondContact O-CA 3.47Å; A186-G190 PolarHBondContact O-N 3.36Å
191S92.8Very high95Very high44 Ų4437.4 Ų37.431%0.30820%0.202SC..  trans-88.5131-176.6-176.40000112.1T189 C193 W194 A195T189-S191 PolarHBondContact O-N 2.96Å; T189-S191 PolarHBondContact OG1-N 3.49Å; S191-C193 PolarHBondContact O-N 3.35Å; S191-C193 PolarHBondContact OG-N 3.29Å; S191-W194 PolarHBondContact O-N 2.99Å; S191-A195 PolarHBondContact O-N 3.31Å; S191-A195 VanDerWaalsContact O-N 3.16Å
192I94.6Very high95Very high106 Ų10636.5 Ų36.554%0.54420%0.199SC..Hα-helixtrans-58.5-34.8172-60.5173000111W194 A195 A196 V238 T242I192-W194 PolarHBondContact O-N 2.86Å; I192-A195 PolarHBondContact O-N 3.01Å; I192-A196 WeakPolarHBondContact O-CB 3.43Å; I192-A196 PolarHBondContact O-N 3.17Å; I192-V238 HydrophobicContact CD1-CG1 4.37Å; I192-V238 HydrophobicContact CG1-CG1 3.57Å; I192-T242 HydrophobicContact CG2-CG2 4.06Å
193C95.9Very high95Very high69 Ų6938 Ų3847%0.46621%0.205SC..Hα-helixtrans-63.1-43.8179.7-178.30000112S191 A195 A196 K197S191-C193 PolarHBondContact O-N 3.35Å; S191-C193 PolarHBondContact OG-N 3.29Å; C193-A195 VanDerWaalsContact C-N 3.35Å; C193-A196 PolarHBondContact O-N 3.23Å; C193-K197 WeakPolarHBondContact O-CG 3.36Å; C193-K197 PolarHBondContact O-N 3.46Å
194W96Very high95Very high60 Ų6040.6 Ų40.623%0.22722%0.215CC..Hα-helixtrans-68.7-36.3176.2-72116.4000111.5M182 K185 A186 S191 I192 K197 C198M182-W194 HydrophobicContact CE-CZ3 4.35Å; M182-W194 HydrophobicContact SD-CE3 3.68Å; M182-W194 HydrophobicContact SD-CZ3 3.58Å; M182-W194 VanDerWaalsContact SD-CZ3 3.58Å; K185-W194 HydrophobicContact CD-CD2 3.73Å; K185-W194 HydrophobicContact CD-CE3 3.66Å; K185-W194 HydrophobicContact CD-CH2 3.79Å; K185-W194 HydrophobicContact CD-CZ2 3.82Å; K185-W194 HydrophobicContact CD-CZ3 3.69Å; K185-W194 VanDerWaalsContact CE-CH2 3.49Å; K185-W194 HydrophobicContact CG-CD2 3.88Å; K185-W194 HydrophobicContact CG-CE3 4.18Å; K185-W194 HydrophobicContact CG-CG 4.15Å; K185-W194 VanDerWaalsContact NZ-CZ2 3.27Å; A186-W194 HydrophobicContact CB-CB 3.91Å; S191-W194 PolarHBondContact O-N 2.99Å; I192-W194 PolarHBondContact O-N 2.86Å; W194-K197 HydrophobicContact CE3-CD 4.04Å; W194-K197 HydrophobicContact CZ3-CD 4.04Å; W194-K197 PolarHBondContact O-N 2.85Å; W194-C198 WeakPolarHBondContact O-CB 3.32Å; W194-C198 PolarHBondContact O-N 3.15Å
195A95.2Very high95Very high0 Ų040.4 Ų40.40%021%0.214CC..Hα-helixtrans-64.4-41.817400000112.5A186 S191 I192 C193 C198 A199 T242 V243A186-A195 HydrophobicContact CB-CB 4.26Å; S191-A195 PolarHBondContact O-N 3.31Å; S191-A195 VanDerWaalsContact O-N 3.16Å; I192-A195 PolarHBondContact O-N 3.01Å; C193-A195 VanDerWaalsContact C-N 3.35Å; A195-C198 VanDerWaalsContact O-CB 3.31Å; A195-C198 WeakPolarHBondContact O-CB 3.47Å; A195-C198 PolarHBondContact O-N 3.21Å; A195-A199 PolarHBondContact O-N 2.93Å; A195-T242 HydrophobicContact CB-CG2 3.72Å; A195-V243 HydrophobicContact CB-CG2 3.99Å; A195-V243 WeakPolarHBondContact O-CG2 3.29Å
196A96.5Very high95Very high30 Ų3038.5 Ų38.525%0.24821%0.206CC..Hα-helixtrans-64.7-41.6175.200000112I192 C193 C198 A199 L200 L246I192-A196 WeakPolarHBondContact O-CB 3.43Å; I192-A196 PolarHBondContact O-N 3.17Å; C193-A196 PolarHBondContact O-N 3.23Å; A196-C198 VanDerWaalsContact C-N 3.29Å; A196-C198 PolarHBondContact O-N 3.26Å; A196-A199 WeakPolarHBondContact O-CB 3.48Å; A196-A199 PolarHBondContact O-N 3.44Å; A196-L200 WeakPolarHBondContact O-CG 3.14Å; A196-L200 PolarHBondContact O-N 3.32Å; A196-L246 HydrophobicContact CB-CD1 4.06Å
197K96.1Very high95Very high92 Ų9239 Ų3940%0.421%0.209SC..Hα-helixtrans-62.2-37172.5-72.2178.2-177.4-179.70112.3M182 C193 W194 L200 A201M182-K197 HydrophobicContact SD-CB 4.36Å; C193-K197 WeakPolarHBondContact O-CG 3.36Å; C193-K197 PolarHBondContact O-N 3.46Å; W194-K197 HydrophobicContact CE3-CD 4.04Å; W194-K197 HydrophobicContact CZ3-CD 4.04Å; W194-K197 PolarHBondContact O-N 2.85Å; K197-L200 PolarHBondContact O-N 3.38Å; K197-A201 WeakPolarHBondContact O-CB 3.39Å; K197-A201 PolarHBondContact O-N 3.09Å
198C96.5Very high94.9Very high0 Ų038.8 Ų38.80%021%0.207CC..Hα-helixtrans-63.5-42.4172.8-174.50000111.6M182 W194 A195 A196 L200 A201 Y202 V243M182-C198 HydrophobicContact CB-CB 3.78Å; W194-C198 WeakPolarHBondContact O-CB 3.32Å; W194-C198 PolarHBondContact O-N 3.15Å; A195-C198 VanDerWaalsContact O-CB 3.31Å; A195-C198 WeakPolarHBondContact O-CB 3.47Å; A195-C198 PolarHBondContact O-N 3.21Å; A196-C198 VanDerWaalsContact C-N 3.29Å; A196-C198 PolarHBondContact O-N 3.26Å; C198-L200 VanDerWaalsContact C-N 3.35Å; C198-L200 PolarHBondContact O-N 3.23Å; C198-A201 PolarHBondContact O-N 3.24Å; C198-Y202 WeakPolarHBondContact O-CB 3.47Å; C198-Y202 PolarHBondContact O-N 2.72Å; C198-V243 HydrophobicContact CB-CG2 3.93Å
199A96.3Very high94.9Very high1 Ų136.2 Ų36.21%0.00820%0.195CC..Hα-helixtrans-64.1-37.7176.200000112.5A195 A196 Y202 F203 L246A195-A199 PolarHBondContact O-N 2.93Å; A196-A199 WeakPolarHBondContact O-CB 3.48Å; A196-A199 PolarHBondContact O-N 3.44Å; A199-Y202 PolarHBondContact O-N 2.94Å; A199-F203 PolarHBondContact O-N 2.95Å; A199-L246 HydrophobicContact CB-CB 3.65Å; A199-L246 HydrophobicContact CB-CD1 4.49Å
200L96.3Very high94.7Very high103 Ų10333.9 Ų33.954%0.53919%0.185SC..Hα-helixtrans-67.2-41.4173.6-69.2172.7000112.5A196 K197 C198 Y202 F203 Y204 L250A196-L200 WeakPolarHBondContact O-CG 3.14Å; A196-L200 PolarHBondContact O-N 3.32Å; K197-L200 PolarHBondContact O-N 3.38Å; C198-L200 VanDerWaalsContact C-N 3.35Å; C198-L200 PolarHBondContact O-N 3.23Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; L200-F203 WeakPolarHBondContact O-CB 3.45Å; L200-F203 PolarHBondContact O-N 3.37Å; L200-Y204 PolarHBondContact O-N 3.17Å; L200-L250 HydrophobicContact CD2-CD1 4.14Å
201A95.7Very high94.5Very high8 Ų833.5 Ų33.57%0.06618%0.182CC..Hα-helixtrans-63.7-39.3174.200000111.5L178 T179 K197 C198 Y204 M205L178-A201 HydrophobicContact CD2-CB 4.2Å; L178-A201 HydrophobicContact CG-CB 4.13Å; T179-A201 PolarHBondContact OG1-O 3.26Å; K197-A201 WeakPolarHBondContact O-CB 3.39Å; K197-A201 PolarHBondContact O-N 3.09Å; C198-A201 PolarHBondContact O-N 3.24Å; A201-Y204 PolarHBondContact O-N 2.9Å; A201-M205 PolarHBondContact O-N 3.39Å
202Y96.1Very high94.5Very high6 Ų631.5 Ų31.52%0.02417%0.167CC..Hα-helixtrans-64.1-42.9173176-105.7000111.9T179 C198 A199 L200 Y204 M205 V206 Y212 L215 I216T179-Y202 PolarHBondContact OG1-N 2.84Å; C198-Y202 WeakPolarHBondContact O-CB 3.47Å; C198-Y202 PolarHBondContact O-N 2.72Å; A199-Y202 PolarHBondContact O-N 2.94Å; L200-Y202 VanDerWaalsContact C-N 3.31Å; Y202-Y204 VanDerWaalsContact C-N 3.29Å; Y202-Y204 PolarHBondContact O-N 3Å; Y202-M205 WeakPolarHBondContact O-CA 3.29Å; Y202-M205 WeakPolarHBondContact O-CB 3.28Å; Y202-M205 PolarHBondContact O-N 3.35Å; Y202-M205 VanDerWaalsContact O-N 3.09Å; Y202-V206 HydrophobicContact CD1-CG2 4.04Å; Y202-V206 HydrophobicContact CD2-CG2 4.31Å; Y202-V206 HydrophobicContact CE1-CG2 3.64Å; Y202-V206 HydrophobicContact CE2-CG2 3.93Å; Y202-V206 HydrophobicContact CG-CG2 4.36Å; Y202-V206 VanDerWaalsContact O-CG2 3.24Å; Y202-V206 WeakPolarHBondContact O-CG2 3.34Å; Y202-V206 PolarHBondContact O-N 3Å; Y202-Y212 HydrophobicContact CE2-CD2 4.4Å; Y202-Y212 WeakPolarHBondContact OH-CD2 3.25Å; Y202-L215 HydrophobicContact CD2-CB 4.38Å; Y202-L215 HydrophobicContact CD2-CD2 4.3Å; Y202-L215 HydrophobicContact CE2-CB 4.3Å; Y202-I216 HydrophobicContact CE2-CB 4.19Å; Y202-I216 WeakPolarHBondContact OH-CB 3.13Å
203F96Very high94.4Very high63 Ų6326.8 Ų26.828%0.27614%0.143SC..Hα-helixtrans-57.8-42173.2171.6-112.2000112.2A199 L200 M205 V206 S207 L250 Q253 I254A199-F203 PolarHBondContact O-N 2.95Å; L200-F203 WeakPolarHBondContact O-CB 3.45Å; L200-F203 PolarHBondContact O-N 3.37Å; F203-M205 VanDerWaalsContact C-N 3.34Å; F203-V206 PolarHBondContact O-N 2.61Å; F203-S207 PolarHBondContact O-N 3.34Å; F203-L250 HydrophobicContact CB-CB 3.92Å; F203-L250 HydrophobicContact CB-CD1 4.1Å; F203-L250 HydrophobicContact CD2-CB 3.76Å; F203-L250 VanDerWaalsContact CD2-O 3.29Å; F203-L250 WeakPolarHBondContact CD2-O 3.46Å; F203-L250 WeakPolarHBondContact CE2-O 3.07Å; F203-L250 HydrophobicContact CG-CB 4.02Å; F203-Q253 HydrophobicContact CE2-CB 4.44Å; F203-I254 HydrophobicContact CE2-CD1 3.68Å; F203-I254 HydrophobicContact CE2-CG1 4.06Å; F203-I254 HydrophobicContact CZ-CD1 4.08Å
204Y95.7Very high94.2Very high53 Ų5325.2 Ų25.221%0.20813%0.129CC..Hα-helixtrans-65.4-37174.9-173.7-132.8000112.3T95 I171 F174 C175 L200 A201 Y202 S207 S208T95-Y204 WeakPolarHBondContact OG1-CE2 3.49Å; T95-Y204 PolarHBondContact OG1-OH 3.41Å; I171-Y204 HydrophobicContact CG2-CE1 3.99Å; I171-Y204 WeakPolarHBondContact CG2-OH 3.43Å; F174-Y204 HydrophobicContact CD1-CE1 4.31Å; F174-Y204 HydrophobicContact CE1-CE1 4.18Å; C175-Y204 HydrophobicContact CB-CD1 4.35Å; C175-Y204 WeakPolarHBondContact SG-CD1 2.93Å; C175-Y204 WeakPolarHBondContact SG-CE1 3.4Å; L200-Y204 PolarHBondContact O-N 3.17Å; A201-Y204 PolarHBondContact O-N 2.9Å; Y202-Y204 VanDerWaalsContact C-N 3.29Å; Y202-Y204 PolarHBondContact O-N 3Å; Y204-S207 PolarHBondContact O-N 3.44Å; Y204-S207 PolarHBondContact O-OG 3.24Å; Y204-S208 PolarHBondContact O-N 3.06Å; Y204-S208 VanDerWaalsContact O-N 3.13Å; Y204-S208 PolarHBondContact O-OG 3.22Å
205M95.4Very high94Very high0 Ų022.4 Ų22.40%012%0.118CC..Hα-helixtrans-62.4-47.1171.6179.466.1178.200112.3A172 C175 M176 A201 Y202 F203 S207 S208 W209 L215A172-M205 HydrophobicContact CB-CE 4.46Å; A172-M205 HydrophobicContact CB-SD 4.34Å; C175-M205 HydrophobicContact CB-CB 3.9Å; C175-M205 HydrophobicContact CB-CG 4.41Å; C175-M205 HydrophobicContact CB-SD 3.7Å; M176-M205 HydrophobicContact CB-CE 4.27Å; M176-M205 HydrophobicContact CB-SD 4.3Å; A201-M205 PolarHBondContact O-N 3.39Å; Y202-M205 WeakPolarHBondContact O-CA 3.29Å; Y202-M205 WeakPolarHBondContact O-CB 3.28Å; Y202-M205 PolarHBondContact O-N 3.35Å; Y202-M205 VanDerWaalsContact O-N 3.09Å; F203-M205 VanDerWaalsContact C-N 3.34Å; M205-S207 VanDerWaalsContact C-N 3.25Å; M205-S207 PolarHBondContact O-N 3.34Å; M205-S208 PolarHBondContact O-N 3.39Å; M205-S208 VanDerWaalsContact O-N 3.11Å; M205-W209 HydrophobicContact CE-CD2 4.47Å; M205-W209 HydrophobicContact CE-CE3 3.46Å; M205-W209 VanDerWaalsContact CE-CE3 3.46Å; M205-W209 HydrophobicContact CE-CZ3 4.08Å; M205-W209 PolarHBondContact O-N 2.72Å; M205-L215 HydrophobicContact CB-CD2 4.37Å; M205-L215 HydrophobicContact CE-CD1 3.77Å; M205-L215 HydrophobicContact CG-CD1 4.42Å; M205-L215 HydrophobicContact CG-CD2 3.87Å
206V95.2Very high93.9Very high0 Ų023.1 Ų23.10%012%0.122CC..Hα-helixtrans-61-36.7179176.10000111Y89 Y202 F203 Y212 I254 V257Y89-V206 WeakPolarHBondContact CD1-O 3.47Å; Y89-V206 WeakPolarHBondContact CE1-O 3.2Å; Y202-V206 HydrophobicContact CD1-CG2 4.04Å; Y202-V206 HydrophobicContact CD2-CG2 4.31Å; Y202-V206 HydrophobicContact CE1-CG2 3.64Å; Y202-V206 HydrophobicContact CE2-CG2 3.93Å; Y202-V206 HydrophobicContact CG-CG2 4.36Å; Y202-V206 VanDerWaalsContact O-CG2 3.24Å; Y202-V206 WeakPolarHBondContact O-CG2 3.34Å; Y202-V206 PolarHBondContact O-N 3Å; F203-V206 PolarHBondContact O-N 2.61Å; V206-Y212 HydrophobicContact CB-CG 4.29Å; V206-Y212 HydrophobicContact CG1-CD1 4.39Å; V206-Y212 HydrophobicContact CG1-CD2 4.49Å; V206-Y212 HydrophobicContact CG1-CG 4.37Å; V206-Y212 HydrophobicContact CG2-CD1 4.49Å; V206-Y212 HydrophobicContact CG2-CD2 3.73Å; V206-Y212 HydrophobicContact CG2-CE2 4.45Å; V206-Y212 HydrophobicContact CG2-CG 3.73Å; V206-I254 HydrophobicContact CG1-CG1 4.13Å; V206-V257 HydrophobicContact CG1-CG2 3.82Å
207S93.8Very high93.7Very high10 Ų1024 Ų247%0.0712%0.122CC..Hα-helixtrans-74.9-24.2177.3740000113.2Y89 G91 F203 Y204 M205Y89-S207 CarbonylContact C-O 3.12Å; Y89-S207 VanDerWaalsContact C-O 3.23Å; Y89-S207 WeakPolarHBondContact CB-O 3.34Å; G91-S207 VanDerWaalsContact CA-O 3.3Å; G91-S207 WeakPolarHBondContact CA-O 3.41Å; G91-S207 PolarHBondContact N-O 3.23Å; F203-S207 PolarHBondContact O-N 3.34Å; Y204-S207 PolarHBondContact O-N 3.44Å; Y204-S207 PolarHBondContact O-OG 3.24Å; M205-S207 VanDerWaalsContact C-N 3.25Å; M205-S207 PolarHBondContact O-N 3.34Å
208S92.7Very high93.6Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-90.1-43.3-179.3-60.80000114.6N168 I171 Y204 M205N168-S208 WeakPolarHBondContact CB-O 3.35Å; N168-S208 PolarHBondContact OD1-O 2.77Å; I171-S208 WeakPolarHBondContact CG2-OG 3.27Å; Y204-S208 PolarHBondContact O-N 3.06Å; Y204-S208 VanDerWaalsContact O-N 3.13Å; Y204-S208 PolarHBondContact O-OG 3.22Å; M205-S208 PolarHBondContact O-N 3.39Å; M205-S208 VanDerWaalsContact O-N 3.11Å
209W92.3Very high93.5Very high27 Ų2720 Ų2010%0.10211%0.105CC..  trans-151.3142-170.2-174.754.6000113.8N168 E169 A172 M205 G211 Y212 V409N168-W209 HydrophobicContact CB-CB 4.45Å; E169-W209 PolarHBondContact OE1-NE1 3.18Å; A172-W209 HydrophobicContact CB-CB 3.54Å; A172-W209 HydrophobicContact CB-CD2 3.86Å; A172-W209 HydrophobicContact CB-CE3 3.64Å; A172-W209 HydrophobicContact CB-CG 3.84Å; M205-W209 HydrophobicContact CE-CD2 4.47Å; M205-W209 HydrophobicContact CE-CE3 3.46Å; M205-W209 VanDerWaalsContact CE-CE3 3.46Å; M205-W209 HydrophobicContact CE-CZ3 4.08Å; M205-W209 PolarHBondContact O-N 2.72Å; W209-G211 VanDerWaalsContact CE3-CA 3.46Å; W209-G211 PolarHBondContact O-N 3.36Å; W209-Y212 WeakPolarHBondContact O-CD1 3.46Å; W209-Y212 PolarHBondContact O-N 3.42Å; W209-V409 HydrophobicContact CH2-CG2 3.82Å; W209-V409 HydrophobicContact CZ3-CG2 4.15Å
210G88.1Confident93.3Very high20 Ų2020 Ų2021%0.20611%0.105CC..THydrogen-bonded Turntrans-61.3-13.6176.100000115.2Y89 Y212 V213Y89-G210 WeakPolarHBondContact OH-CA 3.44Å; G210-Y212 WeakPolarHBondContact O-CD1 3.39Å; G210-Y212 PolarHBondContact O-N 3.03Å; G210-Y212 VanDerWaalsContact O-N 3.08Å; G210-V213 PolarHBondContact O-N 3.44Å
211G86.9Confident93.2Very high12 Ų1218.3 Ų18.312%0.12410%0.096CC..THydrogen-bonded Turntrans-692173.500000114.9W209 V213 F214W209-G211 VanDerWaalsContact CE3-CA 3.46Å; W209-G211 PolarHBondContact O-N 3.36Å; G211-V213 PolarHBondContact O-N 2.65Å; G211-F214 VanDerWaalsContact O-CB 3.28Å; G211-F214 WeakPolarHBondContact O-CB 3.4Å; G211-F214 PolarHBondContact O-N 2.88Å
212Y93.5Very high93.1Very high2 Ų218 Ų181%0.0089%0.094CC..Hα-helixtrans-56.3-27.3169.478.5-90.1000112.7Y89 Y202 V206 W209 G210 F214 L215 I216 V257 H267Y89-Y212 HydrophobicContact CE1-CE1 4.37Å; Y202-Y212 HydrophobicContact CE2-CD2 4.4Å; Y202-Y212 WeakPolarHBondContact OH-CD2 3.25Å; V206-Y212 HydrophobicContact CB-CG 4.29Å; V206-Y212 HydrophobicContact CG1-CD1 4.39Å; V206-Y212 HydrophobicContact CG1-CD2 4.49Å; V206-Y212 HydrophobicContact CG1-CG 4.37Å; V206-Y212 HydrophobicContact CG2-CD1 4.49Å; V206-Y212 HydrophobicContact CG2-CD2 3.73Å; V206-Y212 HydrophobicContact CG2-CE2 4.45Å; V206-Y212 HydrophobicContact CG2-CG 3.73Å; W209-Y212 WeakPolarHBondContact O-CD1 3.46Å; W209-Y212 PolarHBondContact O-N 3.42Å; G210-Y212 WeakPolarHBondContact O-CD1 3.39Å; G210-Y212 PolarHBondContact O-N 3.03Å; G210-Y212 VanDerWaalsContact O-N 3.08Å; Y212-F214 PolarHBondContact O-N 3.15Å; Y212-L215 PolarHBondContact O-N 2.79Å; Y212-I216 PolarHBondContact O-N 2.96Å; Y212-V257 HydrophobicContact CE1-CG2 4.15Å; Y212-H267 AromaticContact CE2-CE1 3.97Å; Y212-H267 AromaticContact CE2-NE2 3.26Å; Y212-H267 VanDerWaalsContact CE2-NE2 3.26Å; Y212-H267 WeakPolarHBondContact CE2-NE2 3.38Å; Y212-H267 AromaticContact CZ-NE2 3.9Å
213V91.8Very high93Very high6 Ų617.8 Ų17.84%0.0369%0.093CC..Hα-helixtrans-57.9-31.8173.6-179.90000111.6G210 G211 I216 N217 E266 F330G210-V213 PolarHBondContact O-N 3.44Å; G211-V213 PolarHBondContact O-N 2.65Å; V213-I216 WeakPolarHBondContact O-CG2 3.49Å; V213-N217 WeakPolarHBondContact O-CB 3.24Å; V213-N217 PolarHBondContact O-N 3.43Å; V213-N217 PolarHBondContact O-ND2 3.28Å; V213-E266 HydrophobicContact CG1-CB 4.05Å; V213-F330 HydrophobicContact CB-CE1 4.16Å; V213-F330 HydrophobicContact CB-CZ 3.83Å; V213-F330 HydrophobicContact CG1-CE1 3.83Å; V213-F330 HydrophobicContact CG1-CE2 4.45Å; V213-F330 HydrophobicContact CG1-CZ 3.77Å; V213-F330 HydrophobicContact CG2-CE2 4.45Å; V213-F330 HydrophobicContact CG2-CZ 3.92Å
214F91.7Very high92.7Very high37 Ų3717.4 Ų17.416%0.1629%0.093CC..Hα-helixtrans-67.9-42.6174.6-178.6-106.4000111.7Y180 G211 Y212 N217 L218 Y392 S396 F399 V409Y180-F214 VanDerWaalsContact OH-CD1 3.26Å; Y180-F214 WeakPolarHBondContact OH-CD1 3.34Å; Y180-F214 WeakPolarHBondContact OH-CE1 3.3Å; G211-F214 VanDerWaalsContact O-CB 3.28Å; G211-F214 WeakPolarHBondContact O-CB 3.4Å; G211-F214 PolarHBondContact O-N 2.88Å; Y212-F214 PolarHBondContact O-N 3.15Å; F214-N217 PolarHBondContact O-N 3.49Å; F214-L218 HydrophobicContact CE1-CD2 3.98Å; F214-L218 HydrophobicContact CZ-CD2 4.16Å; F214-L218 VanDerWaalsContact O-CB 3.27Å; F214-L218 WeakPolarHBondContact O-CB 3.33Å; F214-L218 PolarHBondContact O-N 3.1Å; F214-Y392 AromaticContact CE1-CD2 3.76Å; F214-Y392 HydrophobicContact CE1-CD2 3.76Å; F214-Y392 AromaticContact CE1-CE2 3.61Å; F214-Y392 HydrophobicContact CE1-CE2 3.61Å; F214-Y392 AromaticContact CZ-CD2 3.88Å; F214-Y392 HydrophobicContact CZ-CD2 3.88Å; F214-Y392 HydrophobicContact CZ-CE2 4.02Å; F214-S396 WeakPolarHBondContact CZ-OG 3.37Å; F214-F399 HydrophobicContact CD2-CD2 4.27Å; F214-F399 HydrophobicContact CD2-CE2 4.25Å; F214-F399 AromaticContact CE2-CD2 3.87Å; F214-F399 HydrophobicContact CE2-CD2 3.87Å; F214-F399 HydrophobicContact CE2-CE2 4.02Å; F214-V409 HydrophobicContact CD1-CG1 4.05Å; F214-V409 HydrophobicContact CE1-CG1 3.74Å; F214-V409 HydrophobicContact CZ-CG1 4.14Å
215L93Very high92.6Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-67.1-45.6-179.9-76.367000111.5M176 T179 Y180 Y202 M205 Y212 N217 L218 I219M176-L215 HydrophobicContact CB-CD1 4.39Å; M176-L215 HydrophobicContact CG-CD1 3.89Å; M176-L215 HydrophobicContact CG-CG 4.41Å; M176-L215 HydrophobicContact SD-CD1 4.32Å; T179-L215 HydrophobicContact CG2-CD2 3.83Å; Y180-L215 HydrophobicContact CE1-CB 4.4Å; Y180-L215 HydrophobicContact CE1-CD2 4.4Å; Y180-L215 HydrophobicContact CE1-CG 3.76Å; Y202-L215 HydrophobicContact CD2-CB 4.38Å; Y202-L215 HydrophobicContact CD2-CD2 4.3Å; Y202-L215 HydrophobicContact CE2-CB 4.3Å; M205-L215 HydrophobicContact CB-CD2 4.37Å; M205-L215 HydrophobicContact CE-CD1 3.77Å; M205-L215 HydrophobicContact CG-CD1 4.42Å; M205-L215 HydrophobicContact CG-CD2 3.87Å; Y212-L215 PolarHBondContact O-N 2.79Å; L215-N217 PolarHBondContact O-N 3.23Å; L215-L218 PolarHBondContact O-N 3.49Å; L215-I219 WeakPolarHBondContact O-CG1 3.5Å; L215-I219 PolarHBondContact O-N 3.02Å
216I91.6Very high92.4Very high15 Ų1516.8 Ų16.88%0.07710%0.095CC..Hα-helixtrans-70.4-16-178.1-161.455000112.5Y202 Y212 V213 P220 A270Y202-I216 HydrophobicContact CE2-CB 4.19Å; Y202-I216 WeakPolarHBondContact OH-CB 3.13Å; Y212-I216 PolarHBondContact O-N 2.96Å; V213-I216 WeakPolarHBondContact O-CG2 3.49Å; I216-P220 WeakPolarHBondContact O-CD 3.13Å; I216-P220 WeakPolarHBondContact O-CG 3.33Å; I216-A270 HydrophobicContact CD1-CB 3.91Å; I216-A270 HydrophobicContact CG1-CB 3.83Å
217N92.6Very high92Very high48 Ų4818 Ų1826%0.25710%0.101SC..Hα-helixtrans-93.5-34170.9-78-57.9000112.6V213 F214 L215 L221 E266 A269V213-N217 WeakPolarHBondContact O-CB 3.24Å; V213-N217 PolarHBondContact O-N 3.43Å; V213-N217 PolarHBondContact O-ND2 3.28Å; F214-N217 PolarHBondContact O-N 3.49Å; L215-N217 PolarHBondContact O-N 3.23Å; N217-L221 VanDerWaalsContact O-CB 3.23Å; N217-L221 WeakPolarHBondContact O-CB 3.19Å; N217-L221 PolarHBondContact O-N 3.05Å; N217-L221 VanDerWaalsContact O-N 3.13Å; N217-E266 PolarHBondContact ND2-O 2.88Å; N217-E266 PolarHBondContact OD1-O 2.99Å; N217-A269 WeakPolarHBondContact OD1-CB 3.36Å
218L94Very high91.7Very high5 Ų524.2 Ų24.23%0.02613%0.132CC..Hα-helixtrans-72.3-39.1179.2-17167.2000113.1Y180 F214 L215 L221 H222 F388 M391 Y392 T395Y180-L218 HydrophobicContact CE1-CD2 4.16Å; Y180-L218 HydrophobicContact CE2-CD2 4.45Å; Y180-L218 WeakPolarHBondContact OH-CD2 3.45Å; F214-L218 HydrophobicContact CE1-CD2 3.98Å; F214-L218 HydrophobicContact CZ-CD2 4.16Å; F214-L218 VanDerWaalsContact O-CB 3.27Å; F214-L218 WeakPolarHBondContact O-CB 3.33Å; F214-L218 PolarHBondContact O-N 3.1Å; L215-L218 PolarHBondContact O-N 3.49Å; L218-L221 HydrophobicContact CD1-CD2 4.5Å; L218-L221 PolarHBondContact O-N 3.09Å; L218-H222 WeakPolarHBondContact O-CB 3.22Å; L218-H222 PolarHBondContact O-N 3.36Å; L218-F388 HydrophobicContact CD2-CE2 4.07Å; L218-F388 HydrophobicContact CD2-CZ 3.87Å; L218-F388 HydrophobicContact CG-CE2 4.08Å; L218-F388 HydrophobicContact CG-CZ 4.39Å; L218-M391 HydrophobicContact CD1-CB 4.18Å; L218-Y392 HydrophobicContact CD2-CD2 3.81Å; L218-Y392 HydrophobicContact CD2-CG 4.05Å; L218-T395 HydrophobicContact CD1-CG2 4.3Å
219I94.3Very high91.5Very high5 Ų527.6 Ų27.63%0.02615%0.154CC..Hα-helixtrans-63.7-49179.5-69169.7000111.4W183 L215 H222 V223 Y240W183-I219 HydrophobicContact CD2-CG1 4.43Å; W183-I219 HydrophobicContact CD2-CG2 4.04Å; W183-I219 HydrophobicContact CE3-CG2 4.11Å; W183-I219 HydrophobicContact CG-CG1 4.43Å; W183-I219 HydrophobicContact CH2-CG2 3.77Å; W183-I219 HydrophobicContact CZ2-CG2 3.68Å; W183-I219 HydrophobicContact CZ3-CG2 3.98Å; L215-I219 WeakPolarHBondContact O-CG1 3.5Å; L215-I219 PolarHBondContact O-N 3.02Å; I219-H222 WeakPolarHBondContact O-CB 3.18Å; I219-H222 PolarHBondContact O-N 3.41Å; I219-V223 PolarHBondContact O-N 3.48Å; I219-V223 VanDerWaalsContact O-N 3.11Å; I219-Y240 HydrophobicContact CG2-CD2 3.99Å; I219-Y240 HydrophobicContact CG2-CE2 4.04Å
220P93.1Very high91.1Very high1 Ų129.6 Ų29.61%0.00618%0.182CC..Hα-helixtrans-63.8-40.5173.5-23.534.4000113.2I216 H222 V223 L224 Y240 A270 V273I216-P220 WeakPolarHBondContact O-CD 3.13Å; I216-P220 WeakPolarHBondContact O-CG 3.33Å; P220-H222 PolarHBondContact O-N 3.39Å; P220-V223 PolarHBondContact O-N 2.86Å; P220-V223 VanDerWaalsContact O-N 3.11Å; P220-L224 WeakPolarHBondContact O-CB 3.39Å; P220-L224 PolarHBondContact O-N 3.16Å; P220-Y240 HydrophobicContact CB-CE2 4.21Å; P220-Y240 WeakPolarHBondContact CB-OH 3.18Å; P220-Y240 HydrophobicContact CG-CE2 4.01Å; P220-Y240 WeakPolarHBondContact CG-OH 3.43Å; P220-A270 HydrophobicContact CG-CB 3.64Å; P220-V273 HydrophobicContact CB-CB 3.83Å; P220-V273 HydrophobicContact CB-CG1 4.14Å; P220-V273 HydrophobicContact CB-CG2 3.74Å
221L92.9Very high91Very high67 Ų6733.1 Ų33.135%0.35119%0.189SC..Hα-helixtrans-57.1-40.1174.9-17963.7000110.7N217 L218 L224 V225 M391 T395N217-L221 VanDerWaalsContact O-CB 3.23Å; N217-L221 WeakPolarHBondContact O-CB 3.19Å; N217-L221 PolarHBondContact O-N 3.05Å; N217-L221 VanDerWaalsContact O-N 3.13Å; L218-L221 HydrophobicContact CD1-CD2 4.5Å; L218-L221 PolarHBondContact O-N 3.09Å; L221-L224 PolarHBondContact O-N 3Å; L221-V225 WeakPolarHBondContact O-CG2 3.44Å; L221-V225 PolarHBondContact O-N 3.43Å; L221-M391 HydrophobicContact CD2-SD 4.46Å; L221-M391 HydrophobicContact CG-SD 4.02Å; L221-T395 HydrophobicContact CD2-CG2 4.1Å
222H94.5Very high90.9Very high2 Ų234 Ų341%0.00919%0.189CC..Hα-helixtrans-63.1-44.6175168.6-115.7000113.5W183 L218 I219 P220 L224 V225 L226 D384 F388 M391W183-H222 AromaticContact CE2-ND1 3.76Å; W183-H222 AromaticContact CZ2-ND1 3.69Å; W183-H222 AromaticContact NE1-CE1 3.67Å; W183-H222 AromaticContact NE1-ND1 3.23Å; W183-H222 PolarHBondContact NE1-ND1 3.41Å; L218-H222 WeakPolarHBondContact O-CB 3.22Å; L218-H222 PolarHBondContact O-N 3.36Å; I219-H222 WeakPolarHBondContact O-CB 3.18Å; I219-H222 PolarHBondContact O-N 3.41Å; P220-H222 PolarHBondContact O-N 3.39Å; H222-L224 VanDerWaalsContact C-N 3.32Å; H222-L224 PolarHBondContact O-N 3.32Å; H222-V225 PolarHBondContact O-N 2.8Å; H222-L226 WeakPolarHBondContact CE1-CD1 3.37Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.4Å; H222-L226 VanDerWaalsContact O-CG 3.3Å; H222-L226 WeakPolarHBondContact O-CG 3.4Å; H222-L226 PolarHBondContact O-N 3.41Å; H222-D384 PolarHBondContact NE2-O 3.16Å; H222-F388 HydrophobicContact CB-CD2 3.75Å; H222-F388 HydrophobicContact CB-CE2 4.38Å; H222-F388 AromaticContact CD2-CD2 3.95Å; H222-F388 AromaticContact CG-CD2 3.6Å; H222-F388 AromaticContact ND1-CD2 3.85Å; H222-M391 HydrophobicContact CB-CE 3.52Å; H222-M391 HydrophobicContact CB-SD 4.45Å; H222-M391 WeakPolarHBondContact CD2-CE 3.3Å
223V93.3Very high90.7Very high0 Ų035.8 Ų35.80%020%0.203CC..Hα-helixtrans-64.5-39.2176.2174.80000111.3W183 I219 P220 L226 M227 F232 I236 Y240 V273W183-V223 HydrophobicContact CH2-CG2 3.98Å; W183-V223 HydrophobicContact CZ2-CG2 3.83Å; I219-V223 PolarHBondContact O-N 3.48Å; I219-V223 VanDerWaalsContact O-N 3.11Å; P220-V223 PolarHBondContact O-N 2.86Å; P220-V223 VanDerWaalsContact O-N 3.11Å; V223-L226 WeakPolarHBondContact O-CB 3.49Å; V223-L226 PolarHBondContact O-N 3.1Å; V223-M227 HydrophobicContact CG1-CE 3.9Å; V223-M227 WeakPolarHBondContact O-CG 3.28Å; V223-M227 PolarHBondContact O-N 3.47Å; V223-F232 HydrophobicContact CG1-CE2 4.16Å; V223-I236 HydrophobicContact CG1-CG2 4.2Å; V223-I236 HydrophobicContact CG2-CG2 4.11Å; V223-Y240 HydrophobicContact CB-CD2 4.34Å; V223-Y240 HydrophobicContact CG1-CG 4.38Å; V223-Y240 HydrophobicContact CG2-CD2 3.56Å; V223-Y240 HydrophobicContact CG2-CE2 4.2Å; V223-Y240 HydrophobicContact CG2-CG 3.85Å; V223-V273 HydrophobicContact CB-CG1 4.01Å; V223-V273 HydrophobicContact CG1-CG1 3.88Å
224L91.5Very high90.6Very high56 Ų5642.4 Ų42.429%0.29323%0.233SC..Hα-helixtrans-61.9-45.5176.2-175.667.6000111.7P220 L221 H222 L226 M227 L228 V273 L276P220-L224 WeakPolarHBondContact O-CB 3.39Å; P220-L224 PolarHBondContact O-N 3.16Å; L221-L224 PolarHBondContact O-N 3Å; H222-L224 VanDerWaalsContact C-N 3.32Å; H222-L224 PolarHBondContact O-N 3.32Å; L224-L226 VanDerWaalsContact C-N 3.31Å; L224-L226 PolarHBondContact O-N 3.03Å; L224-M227 WeakPolarHBondContact O-CB 3.26Å; L224-M227 PolarHBondContact O-N 3.41Å; L224-M227 VanDerWaalsContact O-N 3.16Å; L224-L228 HydrophobicContact CG-CD1 4.41Å; L224-L228 WeakPolarHBondContact O-CG 3.35Å; L224-L228 PolarHBondContact O-N 3.41Å; L224-V273 HydrophobicContact CB-CG2 4.28Å; L224-L276 HydrophobicContact CD1-CD1 4.15Å
225V91.7Very high90.7Very high40 Ų4047.8 Ų47.824%0.24225%0.252CS..Hα-helixtrans-65.5-35.8176.1172.60000111.5L221 H222 M227 L228 T229 I387 M391L221-V225 WeakPolarHBondContact O-CG2 3.44Å; L221-V225 PolarHBondContact O-N 3.43Å; H222-V225 PolarHBondContact O-N 2.8Å; V225-M227 VanDerWaalsContact C-N 3.31Å; V225-M227 PolarHBondContact O-N 2.99Å; V225-L228 PolarHBondContact O-N 2.82Å; V225-T229 HydrophobicContact CG1-CG2 4.22Å; V225-T229 WeakPolarHBondContact O-CB 3.35Å; V225-T229 VanDerWaalsContact O-CG2 3.31Å; V225-T229 WeakPolarHBondContact O-CG2 3.01Å; V225-T229 PolarHBondContact O-N 2.99Å; V225-T229 PolarHBondContact O-OG1 2.96Å; V225-I387 HydrophobicContact CG1-CG2 3.75Å; V225-M391 HydrophobicContact CB-CE 4.22Å; V225-M391 HydrophobicContact CB-SD 3.81Å; V225-M391 HydrophobicContact CG1-CE 4.5Å; V225-M391 HydrophobicContact CG1-SD 4.29Å; V225-M391 HydrophobicContact CG2-SD 3.5Å; V225-M391 WeakPolarHBondContact CG2-SD 3.49Å
226L91.8Very high90.7Very high0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-64.3-35.2172.9-71.2172.2000112.5H222 V223 L224 T229 G230 R231 F232 I236 D384 I387H222-L226 WeakPolarHBondContact CE1-CD1 3.37Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.4Å; H222-L226 VanDerWaalsContact O-CG 3.3Å; H222-L226 WeakPolarHBondContact O-CG 3.4Å; H222-L226 PolarHBondContact O-N 3.41Å; V223-L226 WeakPolarHBondContact O-CB 3.49Å; V223-L226 PolarHBondContact O-N 3.1Å; L224-L226 VanDerWaalsContact C-N 3.31Å; L224-L226 PolarHBondContact O-N 3.03Å; L226-T229 WeakPolarHBondContact CA-OG1 3.11Å; L226-T229 PolarHBondContact O-OG1 2.95Å; L226-G230 PolarHBondContact O-N 3Å; L226-R231 HydrophobicContact CD2-CB 4.11Å; L226-R231 CarbonylContact O-C 3.59Å; L226-R231 PolarHBondContact O-N 3.43Å; L226-F232 PolarHBondContact O-N 2.98Å; L226-I236 HydrophobicContact CB-CD1 4.4Å; L226-I236 HydrophobicContact CD1-CD1 3.74Å; L226-I236 HydrophobicContact CD1-CG1 4.17Å; L226-I236 HydrophobicContact CD1-CG2 4.28Å; L226-D384 HydrophobicContact CD2-CB 4.01Å; L226-I387 HydrophobicContact CD2-CD1 3.98Å
227M87.2Confident90.8Very high26 Ų2649.6 Ų49.613%0.12826%0.258CS..Hα-helixtrans-65.9-49171.2-68.8174.3176.900111.7V223 L224 V225 T229 G230 F232 C277V223-M227 HydrophobicContact CG1-CE 3.9Å; V223-M227 WeakPolarHBondContact O-CG 3.28Å; V223-M227 PolarHBondContact O-N 3.47Å; L224-M227 WeakPolarHBondContact O-CB 3.26Å; L224-M227 PolarHBondContact O-N 3.41Å; L224-M227 VanDerWaalsContact O-N 3.16Å; V225-M227 VanDerWaalsContact C-N 3.31Å; V225-M227 PolarHBondContact O-N 2.99Å; M227-T229 VanDerWaalsContact C-N 3.29Å; M227-T229 PolarHBondContact O-N 3.49Å; M227-G230 PolarHBondContact O-N 3.25Å; M227-F232 HydrophobicContact CE-CD2 3.88Å; M227-F232 HydrophobicContact CE-CE2 3.49Å; M227-F232 VanDerWaalsContact CE-CE2 3.49Å; M227-F232 HydrophobicContact CE-CZ 3.86Å; M227-F232 HydrophobicContact CG-CB 4.14Å; M227-F232 HydrophobicContact CG-CD2 3.68Å; M227-F232 HydrophobicContact CG-CE2 4.29Å; M227-F232 HydrophobicContact CG-CG 4Å; M227-C277 HydrophobicContact CE-CB 4.03Å; M227-C277 WeakPolarHBondContact CE-SG 3.21Å
228L87.6Confident90.9Very high139 Ų13948.5 Ų48.573%0.72825%0.253SS*.Hα-helixtrans-63.7-33-179-68.3174.2000113.1L224 V225 G230L224-L228 HydrophobicContact CG-CD1 4.41Å; L224-L228 WeakPolarHBondContact O-CG 3.35Å; L224-L228 PolarHBondContact O-N 3.41Å; V225-L228 PolarHBondContact O-N 2.82Å; L228-G230 PolarHBondContact O-N 3.34Å
229T87.6Confident90.9Very high72 Ų7248.3 Ų48.344%0.44225%0.252SS..THydrogen-bonded Turntrans-81.71.2176.454.70000113.6V225 L226 M227 R231V225-T229 HydrophobicContact CG1-CG2 4.22Å; V225-T229 WeakPolarHBondContact O-CB 3.35Å; V225-T229 VanDerWaalsContact O-CG2 3.31Å; V225-T229 WeakPolarHBondContact O-CG2 3.01Å; V225-T229 PolarHBondContact O-N 2.99Å; V225-T229 PolarHBondContact O-OG1 2.96Å; L226-T229 WeakPolarHBondContact CA-OG1 3.11Å; L226-T229 PolarHBondContact O-OG1 2.95Å; M227-T229 VanDerWaalsContact C-N 3.29Å; M227-T229 PolarHBondContact O-N 3.49Å; T229-R231 PolarHBondContact O-N 3.38Å
230G83.7Confident90.9Very high68 Ų6848.2 Ų48.270%0.70125%0.252SS*.THydrogen-bonded Turntrans69.418.2-179.100000114.2L226 M227 L228L226-G230 PolarHBondContact O-N 3Å; M227-G230 PolarHBondContact O-N 3.25Å; L228-G230 PolarHBondContact O-N 3.34Å
231R86.2Confident91Very high95 Ų9548.9 Ų48.936%0.35826%0.256SS..  trans-98.39.3-178.9-67-175.9173.7-134.24113.3L226 T229 S233 I236 L382 D384L226-R231 HydrophobicContact CD2-CB 4.11Å; L226-R231 CarbonylContact O-C 3.59Å; L226-R231 PolarHBondContact O-N 3.43Å; T229-R231 PolarHBondContact O-N 3.38Å; R231-S233 PolarHBondContact O-N 3.49Å; R231-I236 VanDerWaalsContact O-CD1 3.29Å; R231-I236 WeakPolarHBondContact O-CD1 2.99Å; R231-L382 PolarHBondContact NH1-O 2.83Å; R231-L382 PolarHBondContact NH2-O 2.88Å; R231-D384 IonicContact NH1-OD1 3.47Å
232F86Confident91.1Very high29 Ų2947 Ų4713%0.12725%0.247CC..  trans-65.2123178.8-169.5-106.6000110.6V223 L226 M227 I236 Y237 H280V223-F232 HydrophobicContact CG1-CE2 4.16Å; L226-F232 PolarHBondContact O-N 2.98Å; M227-F232 HydrophobicContact CE-CD2 3.88Å; M227-F232 HydrophobicContact CE-CE2 3.49Å; M227-F232 VanDerWaalsContact CE-CE2 3.49Å; M227-F232 HydrophobicContact CE-CZ 3.86Å; M227-F232 HydrophobicContact CG-CB 4.14Å; M227-F232 HydrophobicContact CG-CD2 3.68Å; M227-F232 HydrophobicContact CG-CE2 4.29Å; M227-F232 HydrophobicContact CG-CG 4Å; F232-I236 HydrophobicContact CD2-CB 4.36Å; F232-I236 HydrophobicContact CD2-CG2 4.02Å; F232-I236 HydrophobicContact CE2-CB 4.35Å; F232-I236 HydrophobicContact CE2-CG2 3.9Å; F232-Y237 HydrophobicContact CZ-CD2 4.11Å; F232-Y237 HydrophobicContact CZ-CG 4.44Å; F232-H280 AromaticContact CD1-CE1 3.69Å; F232-H280 AromaticContact CD1-ND1 3.45Å; F232-H280 WeakPolarHBondContact CD1-ND1 3.22Å; F232-H280 HydrophobicContact CE1-CB 4.5Å; F232-H280 AromaticContact CE1-ND1 3.82Å
233S88.3Confident91.2Very high41 Ų4147.3 Ų47.329%0.28725%0.249SC..  trans-127.8159.8-17870.70000110.5R231 R235 I236 Y237R231-S233 PolarHBondContact O-N 3.49Å; S233-R235 PolarHBondContact O-N 3.02Å; S233-I236 WeakPolarHBondContact O-CB 3.4Å; S233-I236 PolarHBondContact O-N 3.32Å; S233-Y237 PolarHBondContact O-N 3.49Å; S233-Y237 VanDerWaalsContact O-N 3.12Å
234H90.1Very high91.2Very high145 Ų14548.5 Ų48.567%0.67125%0.254SS*.Hα-helixtrans-55.6-27.9176-171.5-84.4000112.7Y237 V238H234-Y237 PolarHBondContact O-N 3.24Å; H234-V238 VanDerWaalsContact CE1-CG2 3.41Å; H234-V238 WeakPolarHBondContact CE1-CG2 3.44Å; H234-V238 WeakPolarHBondContact O-CG2 3.43Å; H234-V238 PolarHBondContact O-N 2.87Å
235R93.5Very high91.4Very high150 Ų15048.5 Ų48.557%0.56626%0.258SS*.Hα-helixtrans-64.6-44.1175.8-59.8-178.9-173.1172.44.9111.8S233 A239S233-R235 PolarHBondContact O-N 3.02Å; R235-A239 WeakPolarHBondContact O-CB 3.48Å; R235-A239 PolarHBondContact O-N 3.43Å
236I92.8Very high91.6Very high0 Ų050.1 Ų50.10%027%0.265CS..Hα-helixtrans-67.2-42178.6-64.6155.2000109.9V187 V223 L226 R231 F232 S233 A239 Y240V187-I236 HydrophobicContact CG1-CG1 4.02Å; V223-I236 HydrophobicContact CG1-CG2 4.2Å; V223-I236 HydrophobicContact CG2-CG2 4.11Å; L226-I236 HydrophobicContact CB-CD1 4.4Å; L226-I236 HydrophobicContact CD1-CD1 3.74Å; L226-I236 HydrophobicContact CD1-CG1 4.17Å; L226-I236 HydrophobicContact CD1-CG2 4.28Å; R231-I236 VanDerWaalsContact O-CD1 3.29Å; R231-I236 WeakPolarHBondContact O-CD1 2.99Å; F232-I236 HydrophobicContact CD2-CB 4.36Å; F232-I236 HydrophobicContact CD2-CG2 4.02Å; F232-I236 HydrophobicContact CE2-CB 4.35Å; F232-I236 HydrophobicContact CE2-CG2 3.9Å; S233-I236 WeakPolarHBondContact O-CB 3.4Å; S233-I236 PolarHBondContact O-N 3.32Å; I236-A239 PolarHBondContact O-N 3.2Å; I236-Y240 WeakPolarHBondContact O-CB 3.31Å; I236-Y240 PolarHBondContact O-N 2.93Å
237Y93.8Very high91.7Very high53 Ų5350.1 Ų50.121%0.20827%0.265CS..Hα-helixtrans-56.2-54.1175.3176.6-99.6000111.9F232 S233 H234 A239 Y240 C241 C277 Q278 A281F232-Y237 HydrophobicContact CZ-CD2 4.11Å; F232-Y237 HydrophobicContact CZ-CG 4.44Å; S233-Y237 PolarHBondContact O-N 3.49Å; S233-Y237 VanDerWaalsContact O-N 3.12Å; H234-Y237 PolarHBondContact O-N 3.24Å; Y237-A239 VanDerWaalsContact C-N 3.32Å; Y237-A239 PolarHBondContact O-N 3.28Å; Y237-Y240 PolarHBondContact O-N 2.88Å; Y237-C241 VanDerWaalsContact CE2-SG 3.51Å; Y237-C241 WeakPolarHBondContact O-CB 3.44Å; Y237-C241 PolarHBondContact O-N 3.17Å; Y237-C241 PolarHBondContact O-SG 3.05Å; Y237-C241 VanDerWaalsContact O-SG 3.4Å; Y237-C277 HydrophobicContact CD2-CB 4.26Å; Y237-C277 HydrophobicContact CE2-CB 4.43Å; Y237-Q278 PolarHBondContact OH-NE2 3.42Å; Y237-Q278 PolarHBondContact OH-OE1 3.05Å; Y237-A281 HydrophobicContact CD2-CB 3.81Å; Y237-A281 HydrophobicContact CE2-CB 3.67Å; Y237-A281 HydrophobicContact CG-CB 4.44Å
238V94.3Very high92Very high25 Ų2549.7 Ų49.715%0.15226%0.264CS..Hα-helixtrans-60-43.1179.31730000111.4I192 H234 T242I192-V238 HydrophobicContact CD1-CG1 4.37Å; I192-V238 HydrophobicContact CG1-CG1 3.57Å; H234-V238 VanDerWaalsContact CE1-CG2 3.41Å; H234-V238 WeakPolarHBondContact CE1-CG2 3.44Å; H234-V238 WeakPolarHBondContact O-CG2 3.43Å; H234-V238 PolarHBondContact O-N 2.87Å; V238-T242 VanDerWaalsContact O-CB 3.28Å; V238-T242 WeakPolarHBondContact O-CB 3.43Å; V238-T242 PolarHBondContact O-N 3.47Å; V238-T242 PolarHBondContact O-OG1 3.37Å
239A94.7Very high92.3Very high0 Ų048 Ų480%025%0.254CS..Hα-helixtrans-64.4-51.9179.800000112.1W183 A186 R235 I236 Y237 V243W183-A239 HydrophobicContact CZ3-CB 4.23Å; A186-A239 HydrophobicContact CB-CB 4.13Å; R235-A239 WeakPolarHBondContact O-CB 3.48Å; R235-A239 PolarHBondContact O-N 3.43Å; I236-A239 PolarHBondContact O-N 3.2Å; Y237-A239 VanDerWaalsContact C-N 3.32Å; Y237-A239 PolarHBondContact O-N 3.28Å; A239-V243 WeakPolarHBondContact O-CB 3.26Å; A239-V243 VanDerWaalsContact O-CG2 3.29Å; A239-V243 WeakPolarHBondContact O-CG2 3.28Å; A239-V243 PolarHBondContact O-N 2.81Å
240Y95.3Very high92.6Very high4 Ų446.7 Ų46.72%0.01625%0.245CC..Hα-helixtrans-66.4-48.4-176.3-176.6-107000112.4W183 I219 P220 V223 I236 Y237 T242 V243 Y244 A270 V273 F274 C277W183-Y240 AromaticContact CH2-CD2 3.97Å; W183-Y240 HydrophobicContact CH2-CD2 3.97Å; W183-Y240 HydrophobicContact CH2-CG 4.47Å; I219-Y240 HydrophobicContact CG2-CD2 3.99Å; I219-Y240 HydrophobicContact CG2-CE2 4.04Å; P220-Y240 HydrophobicContact CB-CE2 4.21Å; P220-Y240 WeakPolarHBondContact CB-OH 3.18Å; P220-Y240 HydrophobicContact CG-CE2 4.01Å; P220-Y240 WeakPolarHBondContact CG-OH 3.43Å; V223-Y240 HydrophobicContact CB-CD2 4.34Å; V223-Y240 HydrophobicContact CG1-CG 4.38Å; V223-Y240 HydrophobicContact CG2-CD2 3.56Å; V223-Y240 HydrophobicContact CG2-CE2 4.2Å; V223-Y240 HydrophobicContact CG2-CG 3.85Å; I236-Y240 WeakPolarHBondContact O-CB 3.31Å; I236-Y240 PolarHBondContact O-N 2.93Å; Y237-Y240 PolarHBondContact O-N 2.88Å; Y240-T242 VanDerWaalsContact C-N 3.3Å; Y240-T242 PolarHBondContact O-N 2.78Å; Y240-V243 PolarHBondContact O-N 2.91Å; Y240-Y244 VanDerWaalsContact O-CB 3.32Å; Y240-Y244 WeakPolarHBondContact O-CB 3.22Å; Y240-Y244 PolarHBondContact O-N 3.46Å; Y240-A270 PolarHBondContact OH-O 3.27Å; Y240-V273 HydrophobicContact CE1-CB 4.4Å; Y240-V273 HydrophobicContact CE1-CG1 3.89Å; Y240-F274 HydrophobicContact CE1-CB 4Å; Y240-F274 HydrophobicContact CE1-CD2 4.43Å; Y240-C277 HydrophobicContact CD1-CB 4.47Å; Y240-C277 WeakPolarHBondContact CD1-SG 3.14Å
241C94.9Very high93.1Very high15 Ų1543.5 Ų43.510%0.10121%0.212CC..Hα-helixtrans-61.8-39.8-179.1-690000111.8Y237 C245 F274Y237-C241 VanDerWaalsContact CE2-SG 3.51Å; Y237-C241 WeakPolarHBondContact O-CB 3.44Å; Y237-C241 PolarHBondContact O-N 3.17Å; Y237-C241 PolarHBondContact O-SG 3.05Å; Y237-C241 VanDerWaalsContact O-SG 3.4Å; C241-C245 WeakPolarHBondContact O-CB 3.44Å; C241-C245 PolarHBondContact O-N 3.08Å; C241-C245 PolarHBondContact O-SG 3.06Å; C241-F274 HydrophobicContact CB-CE2 4.07Å
242T95Very high93.5Very high27 Ų2741.6 Ų41.617%0.16621%0.207CC..Hα-helixtrans-65.7-46.9176.8-56.40000111.4I192 A195 V238 Y240 L246I192-T242 HydrophobicContact CG2-CG2 4.06Å; A195-T242 HydrophobicContact CB-CG2 3.72Å; V238-T242 VanDerWaalsContact O-CB 3.28Å; V238-T242 WeakPolarHBondContact O-CB 3.43Å; V238-T242 PolarHBondContact O-N 3.47Å; V238-T242 PolarHBondContact O-OG1 3.37Å; Y240-T242 VanDerWaalsContact C-N 3.3Å; Y240-T242 PolarHBondContact O-N 2.78Å; T242-L246 HydrophobicContact CG2-CD1 3.8Å; T242-L246 HydrophobicContact CG2-CG 4.47Å; T242-L246 WeakPolarHBondContact O-CB 3.45Å; T242-L246 WeakPolarHBondContact O-CG 3.11Å; T242-L246 PolarHBondContact O-N 3.44Å
243V95.3Very high93.8Very high8 Ų846.4 Ų46.45%0.04823%0.23CC..Hα-helixtrans-63.5-42.7178.8170.60000111.2W183 A195 C198 A239 Y240 G247W183-V243 HydrophobicContact CE3-CG2 4.08Å; W183-V243 HydrophobicContact CZ3-CB 4.29Å; W183-V243 HydrophobicContact CZ3-CG2 4.03Å; A195-V243 HydrophobicContact CB-CG2 3.99Å; A195-V243 WeakPolarHBondContact O-CG2 3.29Å; C198-V243 HydrophobicContact CB-CG2 3.93Å; A239-V243 WeakPolarHBondContact O-CB 3.26Å; A239-V243 VanDerWaalsContact O-CG2 3.29Å; A239-V243 WeakPolarHBondContact O-CG2 3.28Å; A239-V243 PolarHBondContact O-N 2.81Å; Y240-V243 PolarHBondContact O-N 2.91Å; V243-G247 WeakPolarHBondContact O-CA 3.32Å; V243-G247 PolarHBondContact O-N 3.1Å
244Y94.7Very high94Very high26 Ų2645.1 Ų45.110%0.10222%0.22CC..Hα-helixtrans-64.7-51.5179.7180-102.9000111.7Y240 T248 A270 F271 F274Y240-Y244 VanDerWaalsContact O-CB 3.32Å; Y240-Y244 WeakPolarHBondContact O-CB 3.22Å; Y240-Y244 PolarHBondContact O-N 3.46Å; Y244-T248 VanDerWaalsContact O-CB 3.24Å; Y244-T248 WeakPolarHBondContact O-CB 3.49Å; Y244-T248 PolarHBondContact O-N 2.82Å; Y244-T248 PolarHBondContact O-OG1 3.29Å; Y244-A270 HydrophobicContact CD2-CB 4Å; Y244-A270 HydrophobicContact CE2-CB 3.68Å; Y244-F271 WeakPolarHBondContact OH-CA 3.3Å; Y244-F271 WeakPolarHBondContact OH-CB 3.48Å; Y244-F271 VanDerWaalsContact OH-CD2 3.31Å; Y244-F271 WeakPolarHBondContact OH-CD2 3.38Å; Y244-F274 HydrophobicContact CD1-CB 3.73Å; Y244-F274 AromaticContact CD1-CD1 3.93Å; Y244-F274 HydrophobicContact CD1-CD1 3.93Å; Y244-F274 AromaticContact CD1-CD2 3.26Å; Y244-F274 HydrophobicContact CD1-CD2 3.26Å; Y244-F274 HydrophobicContact CD1-CE1 4.36Å; Y244-F274 AromaticContact CD1-CE2 3.76Å; Y244-F274 HydrophobicContact CD1-CE2 3.76Å; Y244-F274 AromaticContact CD1-CG 3.35Å; Y244-F274 HydrophobicContact CD1-CG 3.35Å; Y244-F274 HydrophobicContact CD1-CZ 4.28Å; Y244-F274 HydrophobicContact CE1-CB 3.77Å; Y244-F274 AromaticContact CE1-CD1 3.73Å; Y244-F274 HydrophobicContact CE1-CD1 3.73Å; Y244-F274 AromaticContact CE1-CD2 3.95Å; Y244-F274 HydrophobicContact CE1-CD2 3.95Å; Y244-F274 HydrophobicContact CE1-CE1 4.29Å; Y244-F274 HydrophobicContact CE1-CE2 4.47Å; Y244-F274 AromaticContact CE1-CG 3.53Å; Y244-F274 HydrophobicContact CE1-CG 3.53Å; Y244-F274 HydrophobicContact CG-CB 4.13Å; Y244-F274 AromaticContact CG-CD2 3.91Å; Y244-F274 HydrophobicContact CG-CD2 3.91Å; Y244-F274 HydrophobicContact CG-CG 4.13Å
245C94.7Very high93.9Very high56 Ų5641.1 Ų41.138%0.37821%0.208SC..Hα-helixtrans-63.1-51.7-178.6-67.80000111.9C241 I249C241-C245 WeakPolarHBondContact O-CB 3.44Å; C241-C245 PolarHBondContact O-N 3.08Å; C241-C245 PolarHBondContact O-SG 3.06Å; C245-I249 WeakPolarHBondContact O-CD1 3.37Å; C245-I249 VanDerWaalsContact O-CG1 3.28Å; C245-I249 WeakPolarHBondContact O-CG1 3.47Å; C245-I249 PolarHBondContact O-N 3.09Å
246L95.4Very high93.7Very high73 Ų7337.4 Ų37.438%0.38220%0.196SC..Hα-helixtrans-69.5-44.3-179.2-67.4178.1000111.7A196 A199 T242 T248 I249 L250A196-L246 HydrophobicContact CB-CD1 4.06Å; A199-L246 HydrophobicContact CB-CB 3.65Å; A199-L246 HydrophobicContact CB-CD1 4.49Å; T242-L246 HydrophobicContact CG2-CD1 3.8Å; T242-L246 HydrophobicContact CG2-CG 4.47Å; T242-L246 WeakPolarHBondContact O-CB 3.45Å; T242-L246 WeakPolarHBondContact O-CG 3.11Å; T242-L246 PolarHBondContact O-N 3.44Å; L246-T248 PolarHBondContact O-N 3.35Å; L246-I249 PolarHBondContact O-N 3.5Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 WeakPolarHBondContact O-CG 3.2Å; L246-L250 PolarHBondContact O-N 3.04Å
247G94.1Very high93.6Very high1 Ų137.5 Ų37.51%0.0120%0.197CC..Hα-helixtrans-63-41.1-178.400000112.4V243 S251V243-G247 WeakPolarHBondContact O-CA 3.32Å; V243-G247 PolarHBondContact O-N 3.1Å; G247-S251 VanDerWaalsContact O-CB 3.28Å; G247-S251 WeakPolarHBondContact O-CB 3.45Å; G247-S251 PolarHBondContact O-N 2.71Å; G247-S251 PolarHBondContact O-OG 3.17Å
248T93.3Very high93.5Very high16 Ų1635.8 Ų35.810%0.09820%0.196CC..Hα-helixtrans-67.9-47.9178.4-48.10000110.8Y244 L246 L250 S251 M252 P261Y244-T248 VanDerWaalsContact O-CB 3.24Å; Y244-T248 WeakPolarHBondContact O-CB 3.49Å; Y244-T248 PolarHBondContact O-N 2.82Å; Y244-T248 PolarHBondContact O-OG1 3.29Å; L246-T248 PolarHBondContact O-N 3.35Å; T248-L250 VanDerWaalsContact C-N 3.31Å; T248-L250 PolarHBondContact O-N 3.45Å; T248-S251 WeakPolarHBondContact CA-OG 3.28Å; T248-S251 PolarHBondContact O-N 3.24Å; T248-S251 PolarHBondContact O-OG 3.46Å; T248-M252 HydrophobicContact CG2-CE 3.52Å; T248-M252 WeakPolarHBondContact O-CG 3.49Å; T248-M252 PolarHBondContact O-N 2.96Å; T248-M252 VanDerWaalsContact O-N 3.1Å; T248-P261 HydrophobicContact CG2-CB 3.88Å
249I95.1Very high93.3Very high103 Ų10341.9 Ų41.953%0.52822%0.22SC..Hα-helixtrans-59-42.6178.1-68.7169000111.5C245 L246 Q253C245-I249 WeakPolarHBondContact O-CD1 3.37Å; C245-I249 VanDerWaalsContact O-CG1 3.28Å; C245-I249 WeakPolarHBondContact O-CG1 3.47Å; C245-I249 PolarHBondContact O-N 3.09Å; L246-I249 PolarHBondContact O-N 3.5Å; I249-Q253 PolarHBondContact O-NE2 3.35Å
250L94.3Very high92.9Very high46 Ų4645.6 Ų45.624%0.24124%0.238CC..Hα-helixtrans-68.1-40.4177.5-70.8171.9000111.8L200 F203 L246 T248 M252 Q253L200-L250 HydrophobicContact CD2-CD1 4.14Å; F203-L250 HydrophobicContact CB-CB 3.92Å; F203-L250 HydrophobicContact CB-CD1 4.1Å; F203-L250 HydrophobicContact CD2-CB 3.76Å; F203-L250 VanDerWaalsContact CD2-O 3.29Å; F203-L250 WeakPolarHBondContact CD2-O 3.46Å; F203-L250 WeakPolarHBondContact CE2-O 3.07Å; F203-L250 HydrophobicContact CG-CB 4.02Å; L246-L250 WeakPolarHBondContact O-CB 3.43Å; L246-L250 WeakPolarHBondContact O-CG 3.2Å; L246-L250 PolarHBondContact O-N 3.04Å; T248-L250 VanDerWaalsContact C-N 3.31Å; T248-L250 PolarHBondContact O-N 3.45Å; L250-M252 VanDerWaalsContact C-N 3.27Å; L250-M252 PolarHBondContact O-N 2.96Å; L250-Q253 WeakPolarHBondContact O-CB 3.26Å; L250-Q253 PolarHBondContact O-N 2.91Å; L250-Q253 VanDerWaalsContact O-N 3.11Å
251S93.5Very high92.6Very high1 Ų145.7 Ų45.71%0.00724%0.239CC..Hα-helixtrans-62.6-33.6178.668.50000113G247 T248 Q253 I254G247-S251 VanDerWaalsContact O-CB 3.28Å; G247-S251 WeakPolarHBondContact O-CB 3.45Å; G247-S251 PolarHBondContact O-N 2.71Å; G247-S251 PolarHBondContact O-OG 3.17Å; T248-S251 WeakPolarHBondContact CA-OG 3.28Å; T248-S251 PolarHBondContact O-N 3.24Å; T248-S251 PolarHBondContact O-OG 3.46Å; S251-Q253 PolarHBondContact O-N 3.18Å; S251-I254 PolarHBondContact O-N 3.39Å
252M93.6Very high92.1Very high54 Ų5448.8 Ų48.827%0.26626%0.257SS..THydrogen-bonded Turntrans-67.4-15.4177-66.6-178.2-164.900113.6T248 L250 I254 G258 P261 V262T248-M252 HydrophobicContact CG2-CE 3.52Å; T248-M252 WeakPolarHBondContact O-CG 3.49Å; T248-M252 PolarHBondContact O-N 2.96Å; T248-M252 VanDerWaalsContact O-N 3.1Å; L250-M252 VanDerWaalsContact C-N 3.27Å; L250-M252 PolarHBondContact O-N 2.96Å; M252-I254 VanDerWaalsContact C-N 3.28Å; M252-I254 PolarHBondContact O-N 3.29Å; M252-G258 WeakPolarHBondContact CA-O 3.42Å; M252-P261 HydrophobicContact CE-CB 4.43Å; M252-P261 HydrophobicContact CG-CG 4.27Å; M252-V262 HydrophobicContact CE-CG2 3.34Å; M252-V262 HydrophobicContact SD-CG2 4.45Å
253Q93.3Very high91.6Very high130 Ų13051.8 Ų51.861%0.60727%0.272SS*.THydrogen-bonded Turntrans-75-17.4178.6-57-55.6-50.200113.1F203 I249 L250 S251 S255F203-Q253 HydrophobicContact CE2-CB 4.44Å; I249-Q253 PolarHBondContact O-NE2 3.35Å; L250-Q253 WeakPolarHBondContact O-CB 3.26Å; L250-Q253 PolarHBondContact O-N 2.91Å; L250-Q253 VanDerWaalsContact O-N 3.11Å; S251-Q253 PolarHBondContact O-N 3.18Å; Q253-S255 PolarHBondContact O-N 3.13Å
254I92.1Very high91Very high14 Ų1451.8 Ų51.87%0.07227%0.272CS..SBendtrans-81.9115.9177.8-56.8-56.3000108.4F203 V206 S251 M252 F256 V257 G258F203-I254 HydrophobicContact CE2-CD1 3.68Å; F203-I254 HydrophobicContact CE2-CG1 4.06Å; F203-I254 HydrophobicContact CZ-CD1 4.08Å; V206-I254 HydrophobicContact CG1-CG1 4.13Å; S251-I254 PolarHBondContact O-N 3.39Å; M252-I254 VanDerWaalsContact C-N 3.28Å; M252-I254 PolarHBondContact O-N 3.29Å; I254-F256 HydrophobicContact CG2-CB 4.49Å; I254-F256 PolarHBondContact O-N 3.06Å; I254-F256 VanDerWaalsContact O-N 3.09Å; I254-V257 HydrophobicContact CB-CB 4.28Å; I254-V257 HydrophobicContact CB-CG2 4.18Å; I254-V257 HydrophobicContact CG2-CG2 4.2Å; I254-V257 WeakPolarHBondContact O-CA 3.32Å; I254-V257 PolarHBondContact O-N 2.9Å; I254-G258 PolarHBondContact O-N 2.89Å
255S89.1Confident90.4Very high61 Ų6151.3 Ų51.343%0.42727%0.272SS..THydrogen-bonded Turntrans-53.4-35.6-173.9-56.40000114.2H69 Q253 V257H69-S255 PolarHBondContact CE1-OG 2.85Å; Q253-S255 PolarHBondContact O-N 3.13Å; S255-V257 VanDerWaalsContact C-N 3.35Å
256F89.1Confident89.9Confident72 Ų7249.1 Ų49.132%0.31626%0.257SS..THydrogen-bonded Turntrans-68.6-32.1177.2-174.9-121.5000113.4G86 Y89 I254G86-F256 WeakPolarHBondContact O-CA 3.31Å; G86-F256 VanDerWaalsContact O-CD2 3.32Å; G86-F256 WeakPolarHBondContact O-CD2 3.27Å; Y89-F256 HydrophobicContact CD1-CD1 4.24Å; Y89-F256 HydrophobicContact CD2-CD1 4.24Å; Y89-F256 HydrophobicContact CD2-CE1 4.31Å; Y89-F256 AromaticContact CE1-CD1 3.68Å; Y89-F256 HydrophobicContact CE1-CD1 3.68Å; Y89-F256 HydrophobicContact CE1-CE1 4.25Å; Y89-F256 AromaticContact CE2-CD1 3.67Å; Y89-F256 HydrophobicContact CE2-CD1 3.67Å; Y89-F256 AromaticContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CE2-CE1 3.49Å; Y89-F256 VanDerWaalsContact CE2-CE1 3.49Å; Y89-F256 HydrophobicContact CG-CD1 4.49Å; Y89-F256 AromaticContact CZ-CD1 3.35Å; Y89-F256 AromaticContact CZ-CE1 3.45Å; Y89-F256 VanDerWaalsContact CZ-CE1 3.45Å; Y89-F256 VanDerWaalsContact OH-CE1 3.32Å; Y89-F256 WeakPolarHBondContact OH-CE1 3.22Å; I254-F256 HydrophobicContact CG2-CB 4.49Å; I254-F256 PolarHBondContact O-N 3.06Å; I254-F256 VanDerWaalsContact O-N 3.09Å
257V90.3Very high89.5Confident2 Ų246 Ų461%0.01224%0.24CC..THydrogen-bonded Turntrans-82.5-44.1176.4176.40000110.1Y89 V206 Y212 I254 S255 F259 Q260 P261Y89-V257 HydrophobicContact CE1-CG2 4.22Å; V206-V257 HydrophobicContact CG1-CG2 3.82Å; Y212-V257 HydrophobicContact CE1-CG2 4.15Å; I254-V257 HydrophobicContact CB-CB 4.28Å; I254-V257 HydrophobicContact CB-CG2 4.18Å; I254-V257 HydrophobicContact CG2-CG2 4.2Å; I254-V257 WeakPolarHBondContact O-CA 3.32Å; I254-V257 PolarHBondContact O-N 2.9Å; S255-V257 VanDerWaalsContact C-N 3.35Å; V257-F259 PolarHBondContact O-N 3.19Å; V257-F259 VanDerWaalsContact O-N 3.17Å; V257-Q260 HydrophobicContact CG1-CB 4.49Å; V257-Q260 WeakPolarHBondContact O-CB 3.44Å; V257-Q260 WeakPolarHBondContact O-CG 3.32Å; V257-Q260 PolarHBondContact O-N 3.33Å; V257-P261 HydrophobicContact CG1-CG 3.64Å
258G90.6Very high89.1Confident18 Ų1848.3 Ų48.319%0.18625%0.251CS..THydrogen-bonded Turntrans46.6-121178.400000112.2M252 I254M252-G258 WeakPolarHBondContact CA-O 3.42Å; I254-G258 PolarHBondContact O-N 2.89Å
259F90.7Very high88.7Confident152 Ų15249.8 Ų49.867%0.66727%0.265SS*.THydrogen-bonded Turntrans-94.610.6179.6-61.2-69.8000114.5V257 P261 V262 L263V257-F259 PolarHBondContact O-N 3.19Å; V257-F259 VanDerWaalsContact O-N 3.17Å; F259-P261 VanDerWaalsContact C-N 3.29Å; F259-V262 PolarHBondContact O-N 3.36Å; F259-L263 HydrophobicContact CB-CD1 4.06Å; F259-L263 HydrophobicContact CB-CG 4.45Å; F259-L263 PolarHBondContact O-N 2.91Å; F259-L263 VanDerWaalsContact O-N 3.08Å
260Q87.6Confident88.4Confident79 Ų7944.9 Ų44.937%0.36924%0.24SC..Hα-helixtrans-54.2-35.9175.6-70.1177.1-8.800113.8V257 V262 L263 S264V257-Q260 HydrophobicContact CG1-CB 4.49Å; V257-Q260 WeakPolarHBondContact O-CB 3.44Å; V257-Q260 WeakPolarHBondContact O-CG 3.32Å; V257-Q260 PolarHBondContact O-N 3.33Å; Q260-V262 PolarHBondContact O-N 3.46Å; Q260-L263 PolarHBondContact O-N 3.12Å; Q260-S264 WeakPolarHBondContact O-CA 3.12Å; Q260-S264 WeakPolarHBondContact O-CB 3.47Å; Q260-S264 PolarHBondContact O-N 2.93Å
261P87.3Confident88.2Confident5 Ų548.5 Ų48.53%0.03225%0.254CS..Hα-helixtrans-61.6-18.3177.4-25.936.3000114.7T248 M252 V257 F259 H267T248-P261 HydrophobicContact CG2-CB 3.88Å; M252-P261 HydrophobicContact CE-CB 4.43Å; M252-P261 HydrophobicContact CG-CG 4.27Å; V257-P261 HydrophobicContact CG1-CG 3.64Å; F259-P261 VanDerWaalsContact C-N 3.29Å; P261-H267 VanDerWaalsContact O-CB 3.29Å; P261-H267 WeakPolarHBondContact O-CB 3.45Å
262V85.4Confident87.9Confident81 Ų8150.1 Ų50.149%0.49127%0.271SS..Hα-helixtrans-99.4-40177-174.70000111.5M252 F259 Q260 M268M252-V262 HydrophobicContact CE-CG2 3.34Å; M252-V262 HydrophobicContact SD-CG2 4.45Å; F259-V262 PolarHBondContact O-N 3.36Å; Q260-V262 PolarHBondContact O-N 3.46Å; V262-M268 VanDerWaalsContact O-CE 3.3Å; V262-M268 WeakPolarHBondContact O-CE 3.26Å
263L83.9Confident87.7Confident90 Ų9048 Ų4847%0.47126%0.262SS..Hα-helixtrans-89.8-29.3-171.5-62.1174.7000113.4F259 Q260 I323 S324F259-L263 HydrophobicContact CB-CD1 4.06Å; F259-L263 HydrophobicContact CB-CG 4.45Å; F259-L263 PolarHBondContact O-N 2.91Å; F259-L263 VanDerWaalsContact O-N 3.08Å; Q260-L263 PolarHBondContact O-N 3.12Å; L263-I323 WeakPolarHBondContact O-CA 3.24Å; L263-S324 PolarHBondContact O-N 2.78Å; L263-S324 PolarHBondContact O-OG 2.82Å
264S82.7Confident87.7Confident7 Ų743.8 Ų43.85%0.04924%0.241CC..BIsolated β-bridgetrans-84.4135.6-175.6179.70000111.8Q260 E266 H267Q260-S264 WeakPolarHBondContact O-CA 3.12Å; Q260-S264 WeakPolarHBondContact O-CB 3.47Å; Q260-S264 PolarHBondContact O-N 2.93Å; S264-E266 PolarHBondContact O-N 2.92Å; S264-E266 WeakPolarHBondContact OG-CB 3.37Å; S264-E266 WeakPolarHBondContact OG-CG 3.42Å; S264-E266 PolarHBondContact OG-N 2.89Å; S264-H267 PolarHBondContact O-N 3.34Å
265S82.7Confident87.5Confident16 Ų1644.6 Ų44.611%0.11225%0.252CS..G310 helixtrans-58.1-25171.645.80000113.3H267 M268 S324 W326S265-H267 PolarHBondContact O-N 3.07Å; S265-M268 WeakPolarHBondContact O-CB 3.48Å; S265-M268 PolarHBondContact O-N 3.04Å; S265-M268 VanDerWaalsContact O-N 3.17Å; S265-S324 PolarHBondContact OG-O 3.21Å; S265-S324 VanDerWaalsContact OG-O 3.05Å; S265-W326 PolarHBondContact OG-N 2.91Å
266E83.9Confident87.4Confident10 Ų1045.2 Ų45.25%0.04725%0.251CS..G310 helixtrans-64.4-22.4-178.8-64.1163.9-161.300113.6V213 N217 S264 T327 F330V213-E266 HydrophobicContact CG1-CB 4.05Å; N217-E266 PolarHBondContact ND2-O 2.88Å; N217-E266 PolarHBondContact OD1-O 2.99Å; S264-E266 PolarHBondContact O-N 2.92Å; S264-E266 WeakPolarHBondContact OG-CB 3.37Å; S264-E266 WeakPolarHBondContact OG-CG 3.42Å; S264-E266 PolarHBondContact OG-N 2.89Å; E266-T327 WeakPolarHBondContact OE1-CG2 3.43Å; E266-T327 PolarHBondContact OE1-OG1 3.42Å; E266-F330 VanDerWaalsContact CD-CE2 3.41Å; E266-F330 HydrophobicContact CG-CD2 4.1Å; E266-F330 HydrophobicContact CG-CE2 4.43Å; E266-F330 WeakPolarHBondContact OE1-CD2 3.47Å; E266-F330 WeakPolarHBondContact OE1-CE2 3.29Å; E266-F330 VanDerWaalsContact OE2-CE2 3.3Å; E266-F330 WeakPolarHBondContact OE2-CE2 3.4Å
267H87.5Confident87.4Confident7 Ų741.8 Ų41.83%0.03224%0.236CC..G310 helixtrans-103.1-5.5-179.2-63.384.7000112.9Y212 P261 S264 S265 A269 A270 F271Y212-H267 AromaticContact CE2-CE1 3.97Å; Y212-H267 AromaticContact CE2-NE2 3.26Å; Y212-H267 VanDerWaalsContact CE2-NE2 3.26Å; Y212-H267 WeakPolarHBondContact CE2-NE2 3.38Å; Y212-H267 AromaticContact CZ-NE2 3.9Å; P261-H267 VanDerWaalsContact O-CB 3.29Å; P261-H267 WeakPolarHBondContact O-CB 3.45Å; S264-H267 PolarHBondContact O-N 3.34Å; S265-H267 PolarHBondContact O-N 3.07Å; H267-A269 VanDerWaalsContact C-N 3.27Å; H267-A269 PolarHBondContact O-N 3.42Å; H267-A270 PolarHBondContact O-N 3.18Å; H267-A270 VanDerWaalsContact O-N 3.16Å; H267-F271 PolarHBondContact O-N 3.45Å
268M84.3Confident87.4Confident51 Ų5145.1 Ų45.125%0.25125%0.251SS..Hα-helixtrans-67.5-27.8-175.5-68.6-62.4105.500112.5V262 S265 A270 F271 G272 I323V262-M268 VanDerWaalsContact O-CE 3.3Å; V262-M268 WeakPolarHBondContact O-CE 3.26Å; S265-M268 WeakPolarHBondContact O-CB 3.48Å; S265-M268 PolarHBondContact O-N 3.04Å; S265-M268 VanDerWaalsContact O-N 3.17Å; M268-A270 VanDerWaalsContact C-N 3.32Å; M268-A270 PolarHBondContact O-N 3.24Å; M268-F271 PolarHBondContact O-N 2.94Å; M268-G272 PolarHBondContact O-N 3.31Å; M268-I323 HydrophobicContact SD-CD1 4.28Å
269A85.7Confident87.2Confident46 Ų4646.6 Ų46.638%0.3825%0.254SS..Hα-helixtrans-61.4-41.8173.900000111.5N217 H267 G272 V273N217-A269 WeakPolarHBondContact OD1-CB 3.36Å; H267-A269 VanDerWaalsContact C-N 3.27Å; H267-A269 PolarHBondContact O-N 3.42Å; A269-G272 PolarHBondContact O-N 3.21Å; A269-V273 WeakPolarHBondContact O-CG2 3.4Å; A269-V273 PolarHBondContact O-N 2.9Å
270A89.3Confident86.8Confident1 Ų142.3 Ų42.31%0.00824%0.236CC..Hα-helixtrans-66.5-43.5177.800000112I216 P220 Y240 Y244 H267 M268 F274I216-A270 HydrophobicContact CD1-CB 3.91Å; I216-A270 HydrophobicContact CG1-CB 3.83Å; P220-A270 HydrophobicContact CG-CB 3.64Å; Y240-A270 PolarHBondContact OH-O 3.27Å; Y244-A270 HydrophobicContact CD2-CB 4Å; Y244-A270 HydrophobicContact CE2-CB 3.68Å; H267-A270 PolarHBondContact O-N 3.18Å; H267-A270 VanDerWaalsContact O-N 3.16Å; M268-A270 VanDerWaalsContact C-N 3.32Å; M268-A270 PolarHBondContact O-N 3.24Å; A270-F274 VanDerWaalsContact O-CB 3.3Å; A270-F274 WeakPolarHBondContact O-CB 3.41Å; A270-F274 PolarHBondContact O-N 2.95Å
271F89.8Confident86.8Confident121 Ų12139.8 Ų39.853%0.53123%0.229SC..Hα-helixtrans-63.5-43.1174.6-176.8-111.7000112Y244 H267 M268 F274 G275Y244-F271 WeakPolarHBondContact OH-CA 3.3Å; Y244-F271 WeakPolarHBondContact OH-CB 3.48Å; Y244-F271 VanDerWaalsContact OH-CD2 3.31Å; Y244-F271 WeakPolarHBondContact OH-CD2 3.38Å; H267-F271 PolarHBondContact O-N 3.45Å; M268-F271 PolarHBondContact O-N 2.94Å; F271-F274 WeakPolarHBondContact O-CB 3.35Å; F271-F274 PolarHBondContact O-N 3.41Å; F271-G275 PolarHBondContact O-N 3.4Å
272G87Confident86.8Confident36 Ų3645.1 Ų45.137%0.37125%0.252SS..Hα-helixtrans-61.2-49177.600000112.4M268 A269 F274 G275 L276M268-G272 PolarHBondContact O-N 3.31Å; A269-G272 PolarHBondContact O-N 3.21Å; G272-F274 VanDerWaalsContact C-N 3.28Å; G272-F274 PolarHBondContact O-N 3.02Å; G272-G275 PolarHBondContact O-N 3.43Å; G272-L276 WeakPolarHBondContact O-CG 3.32Å; G272-L276 PolarHBondContact O-N 3.47Å
273V90Very high86.7Confident10 Ų1042.1 Ų42.16%0.06123%0.234CC..Hα-helixtrans-66.8-30.9176.3175.30000111.5P220 V223 L224 Y240 A269 L276 C277P220-V273 HydrophobicContact CB-CB 3.83Å; P220-V273 HydrophobicContact CB-CG1 4.14Å; P220-V273 HydrophobicContact CB-CG2 3.74Å; V223-V273 HydrophobicContact CB-CG1 4.01Å; V223-V273 HydrophobicContact CG1-CG1 3.88Å; L224-V273 HydrophobicContact CB-CG2 4.28Å; Y240-V273 HydrophobicContact CE1-CB 4.4Å; Y240-V273 HydrophobicContact CE1-CG1 3.89Å; A269-V273 WeakPolarHBondContact O-CG2 3.4Å; A269-V273 PolarHBondContact O-N 2.9Å; V273-L276 PolarHBondContact O-N 2.78Å; V273-C277 WeakPolarHBondContact O-CB 3.45Å; V273-C277 PolarHBondContact O-N 2.91Å; V273-C277 PolarHBondContact O-SG 3.25Å
274F92.1Very high86.6Confident41 Ų4140.9 Ų40.918%0.1823%0.228CC..Hα-helixtrans-64.1-46.3171.5179.3-99.8000111.8Y240 C241 Y244 A270 F271 G272 L276 C277 Q278Y240-F274 HydrophobicContact CE1-CB 4Å; Y240-F274 HydrophobicContact CE1-CD2 4.43Å; C241-F274 HydrophobicContact CB-CE2 4.07Å; Y244-F274 HydrophobicContact CD1-CB 3.73Å; Y244-F274 AromaticContact CD1-CD1 3.93Å; Y244-F274 HydrophobicContact CD1-CD1 3.93Å; Y244-F274 AromaticContact CD1-CD2 3.26Å; Y244-F274 HydrophobicContact CD1-CD2 3.26Å; Y244-F274 HydrophobicContact CD1-CE1 4.36Å; Y244-F274 AromaticContact CD1-CE2 3.76Å; Y244-F274 HydrophobicContact CD1-CE2 3.76Å; Y244-F274 AromaticContact CD1-CG 3.35Å; Y244-F274 HydrophobicContact CD1-CG 3.35Å; Y244-F274 HydrophobicContact CD1-CZ 4.28Å; Y244-F274 HydrophobicContact CE1-CB 3.77Å; Y244-F274 AromaticContact CE1-CD1 3.73Å; Y244-F274 HydrophobicContact CE1-CD1 3.73Å; Y244-F274 AromaticContact CE1-CD2 3.95Å; Y244-F274 HydrophobicContact CE1-CD2 3.95Å; Y244-F274 HydrophobicContact CE1-CE1 4.29Å; Y244-F274 HydrophobicContact CE1-CE2 4.47Å; Y244-F274 AromaticContact CE1-CG 3.53Å; Y244-F274 HydrophobicContact CE1-CG 3.53Å; Y244-F274 HydrophobicContact CG-CB 4.13Å; Y244-F274 AromaticContact CG-CD2 3.91Å; Y244-F274 HydrophobicContact CG-CD2 3.91Å; Y244-F274 HydrophobicContact CG-CG 4.13Å; A270-F274 VanDerWaalsContact O-CB 3.3Å; A270-F274 WeakPolarHBondContact O-CB 3.41Å; A270-F274 PolarHBondContact O-N 2.95Å; F271-F274 WeakPolarHBondContact O-CB 3.35Å; F271-F274 PolarHBondContact O-N 3.41Å; G272-F274 VanDerWaalsContact C-N 3.28Å; G272-F274 PolarHBondContact O-N 3.02Å; F274-L276 VanDerWaalsContact C-N 3.35Å; F274-L276 PolarHBondContact O-N 2.97Å; F274-C277 WeakPolarHBondContact O-CB 3.24Å; F274-C277 PolarHBondContact O-N 2.93Å; F274-Q278 HydrophobicContact CE1-CG 4.38Å; F274-Q278 HydrophobicContact CZ-CG 4.48Å; F274-Q278 WeakPolarHBondContact O-CG 3.49Å; F274-Q278 PolarHBondContact O-N 3.32Å
275G88.7Confident86.8Confident30 Ų3047 Ų4731%0.30925%0.251SS..Hα-helixtrans-57.6-45.9171.700000112.4F271 G272 C277 Q278 I279F271-G275 PolarHBondContact O-N 3.4Å; G272-G275 PolarHBondContact O-N 3.43Å; G275-C277 VanDerWaalsContact C-N 3.35Å; G275-C277 PolarHBondContact O-N 3.09Å; G275-Q278 PolarHBondContact O-N 2.99Å; G275-I279 WeakPolarHBondContact O-CD1 3.24Å; G275-I279 WeakPolarHBondContact O-CG1 3.38Å; G275-I279 PolarHBondContact O-N 3.29Å; G275-I279 VanDerWaalsContact O-N 3.08Å
276L87.4Confident86.9Confident75 Ų7547.9 Ų47.939%0.39325%0.254SS..Hα-helixtrans-61.7-39.2176.7-69.5172.4000112.6L224 G272 V273 F274 Q278 I279 H280L224-L276 HydrophobicContact CD1-CD1 4.15Å; G272-L276 WeakPolarHBondContact O-CG 3.32Å; G272-L276 PolarHBondContact O-N 3.47Å; V273-L276 PolarHBondContact O-N 2.78Å; F274-L276 VanDerWaalsContact C-N 3.35Å; F274-L276 PolarHBondContact O-N 2.97Å; L276-Q278 VanDerWaalsContact C-N 3.33Å; L276-Q278 PolarHBondContact O-N 2.97Å; L276-I279 PolarHBondContact O-N 3.45Å; L276-H280 WeakPolarHBondContact O-CB 3.36Å; L276-H280 PolarHBondContact O-N 3.32Å
277C88.4Confident86.9Confident0 Ų055.3 Ų55.30%028%0.281CS..Hα-helixtrans-58.7-44.3174.4-72.60000111.9M227 Y237 Y240 V273 F274 G275 A281M227-C277 HydrophobicContact CE-CB 4.03Å; M227-C277 WeakPolarHBondContact CE-SG 3.21Å; Y237-C277 HydrophobicContact CD2-CB 4.26Å; Y237-C277 HydrophobicContact CE2-CB 4.43Å; Y240-C277 HydrophobicContact CD1-CB 4.47Å; Y240-C277 WeakPolarHBondContact CD1-SG 3.14Å; V273-C277 WeakPolarHBondContact O-CB 3.45Å; V273-C277 PolarHBondContact O-N 2.91Å; V273-C277 PolarHBondContact O-SG 3.25Å; F274-C277 WeakPolarHBondContact O-CB 3.24Å; F274-C277 PolarHBondContact O-N 2.93Å; G275-C277 VanDerWaalsContact C-N 3.35Å; G275-C277 PolarHBondContact O-N 3.09Å; C277-A281 VanDerWaalsContact O-CB 3.31Å; C277-A281 WeakPolarHBondContact O-CB 3.45Å; C277-A281 PolarHBondContact O-N 3.09Å
278Q90.4Very high86.8Confident71 Ų7159 Ų5933%0.33231%0.308SS..Hα-helixtrans-63.9-45.7179.1-63.4-57.3-30.500111.2Y237 F274 G275 L276 F282Y237-Q278 PolarHBondContact OH-NE2 3.42Å; Y237-Q278 PolarHBondContact OH-OE1 3.05Å; F274-Q278 HydrophobicContact CE1-CG 4.38Å; F274-Q278 HydrophobicContact CZ-CG 4.48Å; F274-Q278 WeakPolarHBondContact O-CG 3.49Å; F274-Q278 PolarHBondContact O-N 3.32Å; G275-Q278 PolarHBondContact O-N 2.99Å; L276-Q278 VanDerWaalsContact C-N 3.33Å; L276-Q278 PolarHBondContact O-N 2.97Å; Q278-F282 VanDerWaalsContact O-CB 3.26Å; Q278-F282 WeakPolarHBondContact O-CB 3.41Å; Q278-F282 PolarHBondContact O-N 3.12Å
279I85.7Confident86.9Confident49 Ų4963.6 Ų63.625%0.25133%0.327SS..Hα-helixtrans-62.7-49.3178.5-63.3156.1000110.1G275 L276 A281 F282 V283 V306G275-I279 WeakPolarHBondContact O-CD1 3.24Å; G275-I279 WeakPolarHBondContact O-CG1 3.38Å; G275-I279 PolarHBondContact O-N 3.29Å; G275-I279 VanDerWaalsContact O-N 3.08Å; L276-I279 PolarHBondContact O-N 3.45Å; I279-A281 PolarHBondContact O-N 3.16Å; I279-F282 PolarHBondContact O-N 3.13Å; I279-V283 HydrophobicContact CG2-CG2 4.21Å; I279-V283 WeakPolarHBondContact O-CB 3.2Å; I279-V283 WeakPolarHBondContact O-CG2 3.39Å; I279-V283 PolarHBondContact O-N 3.43Å; I279-V306 HydrophobicContact CD1-CG1 3.57Å; I279-V306 HydrophobicContact CG1-CG1 4.41Å
280H84.2Confident86.8Confident62 Ų6264.1 Ų64.129%0.28732%0.323SS..Hα-helixtrans-61.1-46.1-178.8-168.9-62.7000111.8F232 L276 F282 V283 D284F232-H280 AromaticContact CD1-CE1 3.69Å; F232-H280 AromaticContact CD1-ND1 3.45Å; F232-H280 WeakPolarHBondContact CD1-ND1 3.22Å; F232-H280 HydrophobicContact CE1-CB 4.5Å; F232-H280 AromaticContact CE1-ND1 3.82Å; L276-H280 WeakPolarHBondContact O-CB 3.36Å; L276-H280 PolarHBondContact O-N 3.32Å; H280-F282 VanDerWaalsContact C-N 3.34Å; H280-F282 PolarHBondContact O-N 3.24Å; H280-V283 PolarHBondContact O-N 3.43Å; H280-D284 IonicContact CE1-OD1 3.46Å; H280-D284 IonicContact CE1-OD2 3.74Å; H280-D284 PolarHBondContact CE1-OD2 2.95Å; H280-D284 IonicContact ND1-OD1 2.67Å; H280-D284 IonicContact ND1-OD2 3.95Å; H280-D284 PolarHBondContact ND1-OD2 3.33Å; H280-D284 PolarHBondContact O-N 3.33Å
281A85.9Confident86.4Confident27 Ų2769.7 Ų69.722%0.22335%0.352CS..Hα-helixtrans-64.4-38.6178.100000112.3Y237 C277 I279 D284 Y285Y237-A281 HydrophobicContact CD2-CB 3.81Å; Y237-A281 HydrophobicContact CE2-CB 3.67Å; Y237-A281 HydrophobicContact CG-CB 4.44Å; C277-A281 VanDerWaalsContact O-CB 3.31Å; C277-A281 WeakPolarHBondContact O-CB 3.45Å; C277-A281 PolarHBondContact O-N 3.09Å; I279-A281 PolarHBondContact O-N 3.16Å; A281-D284 PolarHBondContact O-N 2.71Å; A281-Y285 WeakPolarHBondContact O-CB 3.32Å; A281-Y285 PolarHBondContact O-N 3.44Å
282F87Confident86Confident116 Ų11668.8 Ų68.851%0.50936%0.359SS..Hα-helixtrans-67.5-40.6175.8-176.4-112000112.2Q278 I279 H280 Y285 L286Q278-F282 VanDerWaalsContact O-CB 3.26Å; Q278-F282 WeakPolarHBondContact O-CB 3.41Å; Q278-F282 PolarHBondContact O-N 3.12Å; I279-F282 PolarHBondContact O-N 3.13Å; H280-F282 VanDerWaalsContact C-N 3.34Å; H280-F282 PolarHBondContact O-N 3.24Å; F282-Y285 WeakPolarHBondContact O-CB 3.44Å; F282-Y285 PolarHBondContact O-N 2.9Å; F282-L286 HydrophobicContact CD1-CD1 3.78Å; F282-L286 HydrophobicContact CD1-CG 4.36Å; F282-L286 HydrophobicContact CE1-CD1 3.33Å; F282-L286 HydrophobicContact CE1-CG 4.03Å; F282-L286 HydrophobicContact CE2-CG 4.37Å; F282-L286 HydrophobicContact CZ-CD1 3.75Å; F282-L286 HydrophobicContact CZ-CD2 4.18Å; F282-L286 HydrophobicContact CZ-CG 4.02Å; F282-L286 WeakPolarHBondContact O-CG 3.11Å; F282-L286 PolarHBondContact O-N 3.2Å
283V83.5Confident85.5Confident18 Ų1875 Ų7511%0.10938%0.378CS..Hα-helixtrans-61.7-45.7174.1167.50000110.7I279 H280 Y285 L286 R287 F295 F299I279-V283 HydrophobicContact CG2-CG2 4.21Å; I279-V283 WeakPolarHBondContact O-CB 3.2Å; I279-V283 WeakPolarHBondContact O-CG2 3.39Å; I279-V283 PolarHBondContact O-N 3.43Å; H280-V283 PolarHBondContact O-N 3.43Å; V283-Y285 VanDerWaalsContact C-N 3.3Å; V283-Y285 PolarHBondContact O-N 3.47Å; V283-L286 PolarHBondContact O-N 3.15Å; V283-R287 VanDerWaalsContact O-CB 3.32Å; V283-R287 WeakPolarHBondContact O-CB 3.4Å; V283-R287 PolarHBondContact O-N 3.25Å; V283-F295 HydrophobicContact CG1-CE2 3.86Å; V283-F295 HydrophobicContact CG1-CZ 3.55Å; V283-F295 WeakPolarHBondContact O-CE2 3.41Å; V283-F299 HydrophobicContact CG1-CD2 3.76Å; V283-F299 HydrophobicContact CG1-CE2 3.64Å; V283-F299 HydrophobicContact CG2-CD2 4.16Å; V283-F299 HydrophobicContact CG2-CE2 4.17Å
284D82.8Confident84.9Confident65 Ų6580.1 Ų80.135%0.34840%0.401SS..Hα-helixtrans-61.9-39.7176.7-73.2-27.8000111.7H280 A281 R287 S288H280-D284 IonicContact CE1-OD1 3.46Å; H280-D284 IonicContact CE1-OD2 3.74Å; H280-D284 PolarHBondContact CE1-OD2 2.95Å; H280-D284 IonicContact ND1-OD1 2.67Å; H280-D284 IonicContact ND1-OD2 3.95Å; H280-D284 PolarHBondContact ND1-OD2 3.33Å; H280-D284 PolarHBondContact O-N 3.33Å; A281-D284 PolarHBondContact O-N 2.71Å; D284-R287 PolarHBondContact O-N 3.07Å; D284-S288 PolarHBondContact O-N 3.47Å; D284-S288 VanDerWaalsContact O-N 3.1Å
285Y86.5Confident84.4Confident136 Ų13679.6 Ų79.653%0.53340%0.399SS..Hα-helixtrans-61.9-49173.8175.9-98.4000111.9A281 F282 V283 R287 S288 K289A281-Y285 WeakPolarHBondContact O-CB 3.32Å; A281-Y285 PolarHBondContact O-N 3.44Å; F282-Y285 WeakPolarHBondContact O-CB 3.44Å; F282-Y285 PolarHBondContact O-N 2.9Å; V283-Y285 VanDerWaalsContact C-N 3.3Å; V283-Y285 PolarHBondContact O-N 3.47Å; Y285-R287 VanDerWaalsContact C-N 3.34Å; Y285-R287 PolarHBondContact O-N 3.41Å; Y285-S288 WeakPolarHBondContact O-CB 3.28Å; Y285-S288 PolarHBondContact O-N 2.87Å; Y285-S288 VanDerWaalsContact O-N 3.14Å; Y285-S288 PolarHBondContact O-OG 3.39Å; Y285-K289 HydrophobicContact CE1-CG 4.46Å; Y285-K289 PolarHBondContact O-N 3.49Å
286L85.8Confident83.9Confident33 Ų3383 Ų8317%0.17341%0.407CS..Hα-helixtrans-62-41.4177.3-74.2177.3000112F282 V283 S288 K289 L290 F295 L298F282-L286 HydrophobicContact CD1-CD1 3.78Å; F282-L286 HydrophobicContact CD1-CG 4.36Å; F282-L286 HydrophobicContact CE1-CD1 3.33Å; F282-L286 HydrophobicContact CE1-CG 4.03Å; F282-L286 HydrophobicContact CE2-CG 4.37Å; F282-L286 HydrophobicContact CZ-CD1 3.75Å; F282-L286 HydrophobicContact CZ-CD2 4.18Å; F282-L286 HydrophobicContact CZ-CG 4.02Å; F282-L286 WeakPolarHBondContact O-CG 3.11Å; F282-L286 PolarHBondContact O-N 3.2Å; V283-L286 PolarHBondContact O-N 3.15Å; L286-S288 PolarHBondContact O-N 3.22Å; L286-K289 PolarHBondContact O-N 2.92Å; L286-L290 HydrophobicContact CB-CD1 4.2Å; L286-L290 HydrophobicContact CD2-CD1 4.26Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 PolarHBondContact O-N 3.27Å; L286-F295 HydrophobicContact CB-CE2 4.49Å; L286-L298 HydrophobicContact CD1-CD2 3.83Å
287R82.3Confident83.4Confident167 Ų16784.5 Ų84.563%0.6342%0.419SS*.Hα-helixtrans-59.1-32.8175.7-167.6177.8179-178.21.2112V283 D284 Y285 K289 F295V283-R287 VanDerWaalsContact O-CB 3.32Å; V283-R287 WeakPolarHBondContact O-CB 3.4Å; V283-R287 PolarHBondContact O-N 3.25Å; D284-R287 PolarHBondContact O-N 3.07Å; Y285-R287 VanDerWaalsContact C-N 3.34Å; Y285-R287 PolarHBondContact O-N 3.41Å; R287-K289 VanDerWaalsContact C-N 3.3Å; R287-F295 HydrophobicContact CB-CD2 3.94Å; R287-F295 HydrophobicContact CB-CE1 4.42Å; R287-F295 HydrophobicContact CB-CE2 3.53Å; R287-F295 HydrophobicContact CB-CZ 3.79Å; R287-F295 HydrophobicContact CG-CD1 4.36Å; R287-F295 HydrophobicContact CG-CD2 4.34Å; R287-F295 HydrophobicContact CG-CE1 4.13Å; R287-F295 HydrophobicContact CG-CE2 4.11Å; R287-F295 HydrophobicContact CG-CG 4.45Å; R287-F295 HydrophobicContact CG-CZ 3.98Å
288S85.4Confident82.9Confident85 Ų8587.5 Ų87.559%0.59444%0.435SS*.Hα-helixtrans-74.5-17.3176.580.80000114.1D284 Y285 L286D284-S288 PolarHBondContact O-N 3.47Å; D284-S288 VanDerWaalsContact O-N 3.1Å; Y285-S288 WeakPolarHBondContact O-CB 3.28Å; Y285-S288 PolarHBondContact O-N 2.87Å; Y285-S288 VanDerWaalsContact O-N 3.14Å; Y285-S288 PolarHBondContact O-OG 3.39Å; L286-S288 PolarHBondContact O-N 3.22Å
289K86.7Confident82.3Confident147 Ų14787.9 Ų87.964%0.63944%0.435SS*.Hα-helixtrans-109-23.5-175.1-65.9-61.7-176-178.20114.3Y285 L286 R287Y285-K289 HydrophobicContact CE1-CG 4.46Å; Y285-K289 PolarHBondContact O-N 3.49Å; L286-K289 PolarHBondContact O-N 2.92Å; R287-K289 VanDerWaalsContact C-N 3.3Å
290L83Confident81.8Confident56 Ų5693.5 Ų93.529%0.29345%0.453SS..SBendtrans-106.6152.8-173-68.4166.9000112.4L286 F295 L298L286-L290 HydrophobicContact CB-CD1 4.2Å; L286-L290 HydrophobicContact CD2-CD1 4.26Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 PolarHBondContact O-N 3.27Å; L290-F295 HydrophobicContact CB-CB 4.4Å; L290-L298 HydrophobicContact CD1-CD2 3.61Å
291N82.4Confident81.3Confident118 Ų11893.3 Ų93.363%0.63146%0.459SS*.  trans-67146.6169.2-84.6-11.2000110.7Q293 Q294 F295N291-Q293 VanDerWaalsContact C-N 3.26Å; N291-Q293 PolarHBondContact O-N 3.21Å; N291-Q293 VanDerWaalsContact O-N 3.1Å; N291-Q294 PolarHBondContact O-N 3.05Å; N291-F295 PolarHBondContact O-N 3.12Å
292P80.3Confident80.8Confident103 Ų10393.8 Ų93.867%0.66946%0.459SS*.Hα-helixtrans-54.6-36.5-173.2-27.133.7000114.7F295 E296P292-F295 PolarHBondContact O-N 2.98Å; P292-E296 PolarHBondContact O-N 3.23Å
293Q76.9Confident80.2Confident166 Ų16692.2 Ų92.278%0.77646%0.455SS*.Hα-helixtrans-69.5-40.3180-67.3177.4-10.700112.7N291 F295N291-Q293 VanDerWaalsContact C-N 3.26Å; N291-Q293 PolarHBondContact O-N 3.21Å; N291-Q293 VanDerWaalsContact O-N 3.1Å; Q293-F295 VanDerWaalsContact C-N 3.33Å
294Q77Confident79.7Confident118 Ų11895 Ų9555%0.55148%0.475SS*.Hα-helixtrans-70.1-36.1175.7-69.7175.6-28.400110.9N291 L298N291-Q294 PolarHBondContact O-N 3.05Å; Q294-L298 WeakPolarHBondContact O-CB 3.3Å; Q294-L298 PolarHBondContact O-N 2.99Å; Q294-L298 VanDerWaalsContact O-N 3.1Å
295F81.7Confident79.5Confident29 Ų2997.1 Ų97.113%0.12749%0.486CS..Hα-helixtrans-64.3-42.9177.3177.7-98.7000112.3V283 L286 R287 L290 N291 P292 Q293 V297 L298 F299V283-F295 HydrophobicContact CG1-CE2 3.86Å; V283-F295 HydrophobicContact CG1-CZ 3.55Å; V283-F295 WeakPolarHBondContact O-CE2 3.41Å; L286-F295 HydrophobicContact CB-CE2 4.49Å; R287-F295 HydrophobicContact CB-CD2 3.94Å; R287-F295 HydrophobicContact CB-CE1 4.42Å; R287-F295 HydrophobicContact CB-CE2 3.53Å; R287-F295 HydrophobicContact CB-CZ 3.79Å; R287-F295 HydrophobicContact CG-CD1 4.36Å; R287-F295 HydrophobicContact CG-CD2 4.34Å; R287-F295 HydrophobicContact CG-CE1 4.13Å; R287-F295 HydrophobicContact CG-CE2 4.11Å; R287-F295 HydrophobicContact CG-CG 4.45Å; R287-F295 HydrophobicContact CG-CZ 3.98Å; L290-F295 HydrophobicContact CB-CB 4.4Å; N291-F295 PolarHBondContact O-N 3.12Å; P292-F295 PolarHBondContact O-N 2.98Å; Q293-F295 VanDerWaalsContact C-N 3.33Å; F295-V297 PolarHBondContact O-N 2.84Å; F295-L298 PolarHBondContact O-N 3.19Å; F295-F299 HydrophobicContact CE1-CB 4.28Å; F295-F299 HydrophobicContact CE1-CD2 4.45Å; F295-F299 HydrophobicContact CE1-CG 4.36Å; F295-F299 HydrophobicContact CZ-CB 4.37Å; F295-F299 HydrophobicContact CZ-CD2 4.03Å; F295-F299 HydrophobicContact CZ-CG 4.36Å; F295-F299 WeakPolarHBondContact O-CB 3.47Å; F295-F299 PolarHBondContact O-N 2.91Å
296E79.6Confident79.1Confident102 Ų10292.7 Ų92.748%0.47747%0.473SS..Hα-helixtrans-63.5-41-178.6-162.5-175.4167.500112.4P292 F299 R300P292-E296 PolarHBondContact O-N 3.23Å; E296-F299 PolarHBondContact O-N 3.42Å; E296-R300 WeakPolarHBondContact O-CG 3.24Å; E296-R300 PolarHBondContact O-N 3.42Å; E296-R300 IonicContact OE1-CZ 3.49Å; E296-R300 IonicContact OE1-NE 3.58Å; E296-R300 IonicContact OE1-NH2 2.74Å; E296-R300 PolarHBondContact OE1-NH2 3.08Å
297V76.7Confident78.6Confident107 Ų10792.5 Ų92.565%0.64848%0.479SS*.Hα-helixtrans-66.1-45.8176.6177.90000111F295 S301F295-V297 PolarHBondContact O-N 2.84Å; V297-S301 PolarHBondContact O-N 3.26Å; V297-S301 VanDerWaalsContact O-N 3.12Å; V297-S301 PolarHBondContact O-OG 2.77Å
298L77.9Confident78.5Confident62 Ų6291.1 Ų91.133%0.32548%0.478SS..Hα-helixtrans-64.9-39.4177.3-175.768000111.9L286 L290 Q294 F295 S301 V302L286-L298 HydrophobicContact CD1-CD2 3.83Å; L290-L298 HydrophobicContact CD1-CD2 3.61Å; Q294-L298 WeakPolarHBondContact O-CB 3.3Å; Q294-L298 PolarHBondContact O-N 2.99Å; Q294-L298 VanDerWaalsContact O-N 3.1Å; F295-L298 PolarHBondContact O-N 3.19Å; L298-S301 PolarHBondContact O-N 3.07Å; L298-S301 PolarHBondContact O-OG 2.85Å; L298-V302 HydrophobicContact CD1-CG2 4.09Å; L298-V302 HydrophobicContact CG-CG2 4.2Å; L298-V302 WeakPolarHBondContact O-CB 3.39Å; L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 3.09Å
299F77.9Confident78.2Confident79 Ų7990.3 Ų90.335%0.34647%0.469SS..Hα-helixtrans-66-44.3-179.5-177.9-108000111.4V283 F295 E296 I303V283-F299 HydrophobicContact CG1-CD2 3.76Å; V283-F299 HydrophobicContact CG1-CE2 3.64Å; V283-F299 HydrophobicContact CG2-CD2 4.16Å; V283-F299 HydrophobicContact CG2-CE2 4.17Å; F295-F299 HydrophobicContact CE1-CB 4.28Å; F295-F299 HydrophobicContact CE1-CD2 4.45Å; F295-F299 HydrophobicContact CE1-CG 4.36Å; F295-F299 HydrophobicContact CZ-CB 4.37Å; F295-F299 HydrophobicContact CZ-CD2 4.03Å; F295-F299 HydrophobicContact CZ-CG 4.36Å; F295-F299 WeakPolarHBondContact O-CB 3.47Å; F295-F299 PolarHBondContact O-N 2.91Å; E296-F299 PolarHBondContact O-N 3.42Å; F299-I303 HydrophobicContact CD1-CD1 3.83Å; F299-I303 HydrophobicContact CD2-CD1 3.97Å; F299-I303 HydrophobicContact CD2-CG1 4.41Å; F299-I303 HydrophobicContact CE1-CD1 3.31Å; F299-I303 HydrophobicContact CE2-CD1 3.45Å; F299-I303 VanDerWaalsContact CE2-CD1 3.45Å; F299-I303 HydrophobicContact CE2-CG1 4.2Å; F299-I303 HydrophobicContact CG-CD1 4.15Å; F299-I303 HydrophobicContact CZ-CD1 3.13Å; F299-I303 HydrophobicContact CZ-CG1 4.31Å; F299-I303 WeakPolarHBondContact O-CB 3.33Å; F299-I303 WeakPolarHBondContact O-CG1 3.49Å; F299-I303 PolarHBondContact O-N 3.45Å
300R75.2Confident77.8Confident167 Ų16788.2 Ų88.263%0.6347%0.465SS*.Hα-helixtrans-62.7-42.5174.9-72.4-176.7-170.7-164.25.9111.9E296 S304E296-R300 WeakPolarHBondContact O-CG 3.24Å; E296-R300 PolarHBondContact O-N 3.42Å; E296-R300 IonicContact OE1-CZ 3.49Å; E296-R300 IonicContact OE1-NE 3.58Å; E296-R300 IonicContact OE1-NH2 2.74Å; E296-R300 PolarHBondContact OE1-NH2 3.08Å; R300-S304 WeakPolarHBondContact O-CB 2.98Å; R300-S304 PolarHBondContact O-N 2.9Å; R300-S304 PolarHBondContact O-OG 3.04Å
301S73.3Confident77.5Confident58 Ų5891.8 Ų91.841%0.40648%0.483SS..Hα-helixtrans-67.4-45.7178.8670000112V297 L298 S304 L305V297-S301 PolarHBondContact O-N 3.26Å; V297-S301 VanDerWaalsContact O-N 3.12Å; V297-S301 PolarHBondContact O-OG 2.77Å; L298-S301 PolarHBondContact O-N 3.07Å; L298-S301 PolarHBondContact O-OG 2.85Å; S301-S304 PolarHBondContact O-N 3.41Å; S301-S304 PolarHBondContact O-OG 2.94Å; S301-L305 WeakPolarHBondContact O-CB 3.49Å; S301-L305 PolarHBondContact O-N 3.31Å
302V75.2Confident77.3Confident37 Ų3788.4 Ų88.422%0.22447%0.467CS..Hα-helixtrans-64.7-44.5178.9172.30000111.6L298 S304 L305 V306L298-V302 HydrophobicContact CD1-CG2 4.09Å; L298-V302 HydrophobicContact CG-CG2 4.2Å; L298-V302 WeakPolarHBondContact O-CB 3.39Å; L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 3.09Å; V302-S304 VanDerWaalsContact C-N 3.35Å; V302-S304 PolarHBondContact O-N 3.41Å; V302-L305 PolarHBondContact O-N 3.3Å; V302-V306 HydrophobicContact CG1-CG2 4.01Å; V302-V306 VanDerWaalsContact O-CB 3.28Å; V302-V306 WeakPolarHBondContact O-CB 3.15Å; V302-V306 VanDerWaalsContact O-CG2 3.23Å; V302-V306 WeakPolarHBondContact O-CG2 3.48Å; V302-V306 PolarHBondContact O-N 3Å
303I75.2Confident77.3Confident83 Ų8386.8 Ų86.843%0.42646%0.455SS..Hα-helixtrans-62.7-43.2176.6-75.1-179.8000111.2F299 L305 G307F299-I303 HydrophobicContact CD1-CD1 3.83Å; F299-I303 HydrophobicContact CD2-CD1 3.97Å; F299-I303 HydrophobicContact CD2-CG1 4.41Å; F299-I303 HydrophobicContact CE1-CD1 3.31Å; F299-I303 HydrophobicContact CE2-CD1 3.45Å; F299-I303 VanDerWaalsContact CE2-CD1 3.45Å; F299-I303 HydrophobicContact CE2-CG1 4.2Å; F299-I303 HydrophobicContact CG-CD1 4.15Å; F299-I303 HydrophobicContact CZ-CD1 3.13Å; F299-I303 HydrophobicContact CZ-CG1 4.31Å; F299-I303 WeakPolarHBondContact O-CB 3.33Å; F299-I303 WeakPolarHBondContact O-CG1 3.49Å; F299-I303 PolarHBondContact O-N 3.45Å; I303-L305 VanDerWaalsContact C-N 3.34Å; I303-L305 PolarHBondContact O-N 3.37Å; I303-G307 WeakPolarHBondContact O-CA 3.42Å; I303-G307 PolarHBondContact O-N 3.47Å
304S72.9Confident77.1Confident76 Ų7680.6 Ų80.653%0.53144%0.436SS..Hα-helixtrans-63.3-41.9178.770.50000111.8R300 S301 V302 F308R300-S304 WeakPolarHBondContact O-CB 2.98Å; R300-S304 PolarHBondContact O-N 2.9Å; R300-S304 PolarHBondContact O-OG 3.04Å; S301-S304 PolarHBondContact O-N 3.41Å; S301-S304 PolarHBondContact O-OG 2.94Å; V302-S304 VanDerWaalsContact C-N 3.35Å; V302-S304 PolarHBondContact O-N 3.41Å; S304-F308 WeakPolarHBondContact O-CB 3.48Å; S304-F308 PolarHBondContact O-N 2.63Å
305L78.1Confident76.9Confident111 Ų11177.2 Ų77.258%0.58143%0.428SS*.Hα-helixtrans-68.6-49.4178.6-177.169.7000111.4S301 V302 I303 F308 V309S301-L305 WeakPolarHBondContact O-CB 3.49Å; S301-L305 PolarHBondContact O-N 3.31Å; V302-L305 PolarHBondContact O-N 3.3Å; I303-L305 VanDerWaalsContact C-N 3.34Å; I303-L305 PolarHBondContact O-N 3.37Å; L305-F308 PolarHBondContact O-N 2.87Å; L305-V309 WeakPolarHBondContact O-CB 3.46Å; L305-V309 VanDerWaalsContact O-CG2 3.23Å; L305-V309 WeakPolarHBondContact O-CG2 3.16Å; L305-V309 PolarHBondContact O-N 2.97Å
306V77.5Confident76.8Confident42 Ų4280.8 Ų80.826%0.25545%0.448SS..Hα-helixtrans-66.4-41.7-179.7172.80000110.8I279 V302 V309 L310I279-V306 HydrophobicContact CD1-CG1 3.57Å; I279-V306 HydrophobicContact CG1-CG1 4.41Å; V302-V306 HydrophobicContact CG1-CG2 4.01Å; V302-V306 VanDerWaalsContact O-CB 3.28Å; V302-V306 WeakPolarHBondContact O-CB 3.15Å; V302-V306 VanDerWaalsContact O-CG2 3.23Å; V302-V306 WeakPolarHBondContact O-CG2 3.48Å; V302-V306 PolarHBondContact O-N 3Å; V306-V309 PolarHBondContact O-N 3.3Å; V306-L310 HydrophobicContact CG1-CD1 3.7Å; V306-L310 HydrophobicContact CG1-CG 4.19Å; V306-L310 VanDerWaalsContact O-CB 3.3Å; V306-L310 WeakPolarHBondContact O-CB 3.41Å; V306-L310 VanDerWaalsContact O-CG 3.25Å; V306-L310 WeakPolarHBondContact O-CG 3.37Å; V306-L310 PolarHBondContact O-N 3.42Å
307G76.1Confident76.5Confident29 Ų2979 Ų7930%0.29944%0.442SS..Hα-helixtrans-60.6-43.817400000111.9I303 L311I303-G307 WeakPolarHBondContact O-CA 3.42Å; I303-G307 PolarHBondContact O-N 3.47Å; G307-L311 VanDerWaalsContact O-CB 3.31Å; G307-L311 WeakPolarHBondContact O-CB 3.37Å; G307-L311 WeakPolarHBondContact O-CG 3.46Å; G307-L311 PolarHBondContact O-N 3.17Å
308F79.2Confident76.2Confident138 Ų13881.3 Ų81.361%0.60545%0.447SS*.Hα-helixtrans-65-44.5175.1-177.6-99000112.3S304 L305 L311 T312S304-F308 WeakPolarHBondContact O-CB 3.48Å; S304-F308 PolarHBondContact O-N 2.63Å; L305-F308 PolarHBondContact O-N 2.87Å; F308-L311 PolarHBondContact O-N 3.47Å; F308-T312 HydrophobicContact CD1-CG2 4.17Å; F308-T312 HydrophobicContact CD2-CG2 4.31Å; F308-T312 HydrophobicContact CE1-CG2 3.79Å; F308-T312 HydrophobicContact CE2-CG2 3.94Å; F308-T312 HydrophobicContact CG-CG2 4.42Å; F308-T312 HydrophobicContact CZ-CG2 3.67Å; F308-T312 WeakPolarHBondContact O-CB 3.27Å; F308-T312 VanDerWaalsContact O-CG2 3.29Å; F308-T312 WeakPolarHBondContact O-CG2 3.24Å; F308-T312 PolarHBondContact O-N 3.35Å; F308-T312 PolarHBondContact O-OG1 3.23Å
309V80.4Confident76.1Confident69 Ų6985.5 Ų85.542%0.41847%0.469SS..Hα-helixtrans-64.1-44.3177.2171.20000111L305 V306 T312 V313L305-V309 WeakPolarHBondContact O-CB 3.46Å; L305-V309 VanDerWaalsContact O-CG2 3.23Å; L305-V309 WeakPolarHBondContact O-CG2 3.16Å; L305-V309 PolarHBondContact O-N 2.97Å; V306-V309 PolarHBondContact O-N 3.3Å; V309-T312 WeakPolarHBondContact CA-OG1 3.29Å; V309-T312 PolarHBondContact O-N 3.32Å; V309-T312 PolarHBondContact O-OG1 3.11Å; V309-T312 VanDerWaalsContact O-OG1 3.05Å; V309-V313 HydrophobicContact CG1-CG2 4.08Å; V309-V313 WeakPolarHBondContact O-CB 3.34Å; V309-V313 WeakPolarHBondContact O-CG2 3.27Å; V309-V313 PolarHBondContact O-N 2.97Å
310L77.6Confident76Confident103 Ų10385.7 Ų85.754%0.53948%0.477SS..Hα-helixtrans-65.3-41.5177.9-74.3171000111.9V306 G314V306-L310 HydrophobicContact CG1-CD1 3.7Å; V306-L310 HydrophobicContact CG1-CG 4.19Å; V306-L310 VanDerWaalsContact O-CB 3.3Å; V306-L310 WeakPolarHBondContact O-CB 3.41Å; V306-L310 VanDerWaalsContact O-CG 3.25Å; V306-L310 WeakPolarHBondContact O-CG 3.37Å; V306-L310 PolarHBondContact O-N 3.42Å; L310-G314 WeakPolarHBondContact O-CA 3.44Å; L310-G314 PolarHBondContact O-N 2.89Å
311L77.3Confident75.9Confident130 Ų13080.4 Ų80.468%0.68147%0.474SS*.Hα-helixtrans-65.9-45.1175.8-84.1162.7000111.8G307 F308 A315G307-L311 VanDerWaalsContact O-CB 3.31Å; G307-L311 WeakPolarHBondContact O-CB 3.37Å; G307-L311 WeakPolarHBondContact O-CG 3.46Å; G307-L311 PolarHBondContact O-N 3.17Å; F308-L311 PolarHBondContact O-N 3.47Å; L311-A315 WeakPolarHBondContact O-CB 3.22Å; L311-A315 PolarHBondContact O-N 2.9Å
312T77.4Confident75.8Confident48 Ų4885 Ų8529%0.29449%0.486SS..Hα-helixtrans-68-46.5179.848.90000111.8F308 V309 A315 L316F308-T312 HydrophobicContact CD1-CG2 4.17Å; F308-T312 HydrophobicContact CD2-CG2 4.31Å; F308-T312 HydrophobicContact CE1-CG2 3.79Å; F308-T312 HydrophobicContact CE2-CG2 3.94Å; F308-T312 HydrophobicContact CG-CG2 4.42Å; F308-T312 HydrophobicContact CZ-CG2 3.67Å; F308-T312 WeakPolarHBondContact O-CB 3.27Å; F308-T312 VanDerWaalsContact O-CG2 3.29Å; F308-T312 WeakPolarHBondContact O-CG2 3.24Å; F308-T312 PolarHBondContact O-N 3.35Å; F308-T312 PolarHBondContact O-OG1 3.23Å; V309-T312 WeakPolarHBondContact CA-OG1 3.29Å; V309-T312 PolarHBondContact O-N 3.32Å; V309-T312 PolarHBondContact O-OG1 3.11Å; V309-T312 VanDerWaalsContact O-OG1 3.05Å; T312-A315 PolarHBondContact O-N 3.27Å; T312-L316 VanDerWaalsContact O-CB 3.26Å; T312-L316 WeakPolarHBondContact O-CB 3.41Å; T312-L316 WeakPolarHBondContact O-CD1 3.31Å; T312-L316 VanDerWaalsContact O-CG 3.31Å; T312-L316 WeakPolarHBondContact O-CG 3.28Å; T312-L316 PolarHBondContact O-N 3.03Å
313V79.4Confident75.4Confident68 Ų6885.1 Ų85.141%0.41249%0.485SS..Hα-helixtrans-65.7-43.3176.3173.80000110.6V309 L316 L317V309-V313 HydrophobicContact CG1-CG2 4.08Å; V309-V313 WeakPolarHBondContact O-CB 3.34Å; V309-V313 WeakPolarHBondContact O-CG2 3.27Å; V309-V313 PolarHBondContact O-N 2.97Å; V313-L316 PolarHBondContact O-N 2.73Å; V313-L317 HydrophobicContact CG1-CD1 3.62Å; V313-L317 HydrophobicContact CG1-CG 4.09Å; V313-L317 VanDerWaalsContact O-CB 3.3Å; V313-L317 WeakPolarHBondContact O-CB 3.35Å; V313-L317 WeakPolarHBondContact O-CG 3.48Å; V313-L317 PolarHBondContact O-N 3.37Å
314G73.4Confident75Confident36 Ų3683.5 Ų83.537%0.37148%0.481SS..Hα-helixtrans-61.1-46.2176.300000112.4L310 L317 M318L310-G314 WeakPolarHBondContact O-CA 3.44Å; L310-G314 PolarHBondContact O-N 2.89Å; G314-L317 PolarHBondContact O-N 2.99Å; G314-M318 WeakPolarHBondContact O-CB 3.41Å; G314-M318 PolarHBondContact O-N 3.47Å
315A73.1Confident74.8Confident48 Ų4885.1 Ų85.140%0.39749%0.49SS..Hα-helixtrans-63.9-43.5175.300000111.8L311 T312 M318 L319L311-A315 WeakPolarHBondContact O-CB 3.22Å; L311-A315 PolarHBondContact O-N 2.9Å; T312-A315 PolarHBondContact O-N 3.27Å; A315-M318 PolarHBondContact O-N 2.94Å; A315-L319 VanDerWaalsContact O-CB 3.27Å; A315-L319 WeakPolarHBondContact O-CB 3.39Å; A315-L319 WeakPolarHBondContact O-CG 3.42Å; A315-L319 PolarHBondContact O-N 3.4Å
316L78.8Confident74.4Confident103 Ų10385.7 Ų85.754%0.53949%0.485SS..Hα-helixtrans-62.3-43.7176-83.1161.4000112T312 V313 M318 L319 T320T312-L316 VanDerWaalsContact O-CB 3.26Å; T312-L316 WeakPolarHBondContact O-CB 3.41Å; T312-L316 WeakPolarHBondContact O-CD1 3.31Å; T312-L316 VanDerWaalsContact O-CG 3.31Å; T312-L316 WeakPolarHBondContact O-CG 3.28Å; T312-L316 PolarHBondContact O-N 3.03Å; V313-L316 PolarHBondContact O-N 2.73Å; L316-M318 VanDerWaalsContact C-N 3.33Å; L316-M318 PolarHBondContact O-N 2.9Å; L316-L319 PolarHBondContact O-N 3.46Å; L316-T320 VanDerWaalsContact O-CB 3.31Å; L316-T320 WeakPolarHBondContact O-CB 3.3Å; L316-T320 WeakPolarHBondContact O-CG2 3.27Å; L316-T320 PolarHBondContact O-N 2.92Å; L316-T320 PolarHBondContact O-OG1 3.09Å
317L74.5Confident74.1Confident66 Ų6686.8 Ų86.835%0.34649%0.492SS..Hα-helixtrans-67.8-34.7179.4-72173.3000112.1V313 G314 T320 I323V313-L317 HydrophobicContact CG1-CD1 3.62Å; V313-L317 HydrophobicContact CG1-CG 4.09Å; V313-L317 VanDerWaalsContact O-CB 3.3Å; V313-L317 WeakPolarHBondContact O-CB 3.35Å; V313-L317 WeakPolarHBondContact O-CG 3.48Å; V313-L317 PolarHBondContact O-N 3.37Å; G314-L317 PolarHBondContact O-N 2.99Å; L317-T320 WeakPolarHBondContact CA-OG1 3.44Å; L317-T320 PolarHBondContact O-OG1 3.23Å; L317-I323 HydrophobicContact CB-CD1 3.57Å; L317-I323 HydrophobicContact CB-CG1 4.03Å; L317-I323 HydrophobicContact CD1-CD1 4.14Å; L317-I323 HydrophobicContact CG-CD1 4.44Å
318M70.9Confident73.8Confident154 Ų15486.4 Ų86.476%0.75949%0.487SS*.Hα-helixtrans-71.4-44173.8-170.1174.1-179.800111.7G314 A315 L316 G321G314-M318 WeakPolarHBondContact O-CB 3.41Å; G314-M318 PolarHBondContact O-N 3.47Å; A315-M318 PolarHBondContact O-N 2.94Å; L316-M318 VanDerWaalsContact C-N 3.33Å; L316-M318 PolarHBondContact O-N 2.9Å; M318-G321 PolarHBondContact O-N 3.31Å
319L74.8Confident73.2Confident151 Ų15185 Ų8579%0.79148%0.478SS*.Hα-helixtrans-68.3-34.3179-73.5169.4000112.9A315 L316 G321A315-L319 VanDerWaalsContact O-CB 3.27Å; A315-L319 WeakPolarHBondContact O-CB 3.39Å; A315-L319 WeakPolarHBondContact O-CG 3.42Å; A315-L319 PolarHBondContact O-N 3.4Å; L316-L319 PolarHBondContact O-N 3.46Å; L319-G321 PolarHBondContact O-N 3.48Å
320T76.7Confident73Confident83 Ų8384.5 Ų84.551%0.50947%0.471SS..THydrogen-bonded Turntrans-75.2-5.8177.752.50000113.3L316 L317 K322L316-T320 VanDerWaalsContact O-CB 3.31Å; L316-T320 WeakPolarHBondContact O-CB 3.3Å; L316-T320 WeakPolarHBondContact O-CG2 3.27Å; L316-T320 PolarHBondContact O-N 2.92Å; L316-T320 PolarHBondContact O-OG1 3.09Å; L317-T320 WeakPolarHBondContact CA-OG1 3.44Å; L317-T320 PolarHBondContact O-OG1 3.23Å; T320-K322 PolarHBondContact O-N 3.08Å; T320-K322 VanDerWaalsContact O-N 3.09Å
321G72.5Confident73Confident55 Ų5584.3 Ų84.357%0.56746%0.463SS*.THydrogen-bonded Turntrans64.69.4-178.100000114.2M318 L319 I323M318-G321 PolarHBondContact O-N 3.31Å; L319-G321 PolarHBondContact O-N 3.48Å; G321-I323 VanDerWaalsContact C-N 3.3Å
322K70.6Confident73Confident154 Ų15478.5 Ų78.567%0.6743%0.433SS*.  trans-69.7-29.6177.8-76.8-165.8175.7-175.30112.3T320T320-K322 PolarHBondContact O-N 3.08Å; T320-K322 VanDerWaalsContact O-N 3.09Å
323I67.2Low73Confident40 Ų4076.9 Ų76.921%0.20542%0.423CS..SBendtrans-88.6115.6168.2-62176000107.3L263 M268 L317 G321L263-I323 WeakPolarHBondContact O-CA 3.24Å; M268-I323 HydrophobicContact SD-CD1 4.28Å; L317-I323 HydrophobicContact CB-CD1 3.57Å; L317-I323 HydrophobicContact CB-CG1 4.03Å; L317-I323 HydrophobicContact CD1-CD1 4.14Å; L317-I323 HydrophobicContact CG-CD1 4.44Å; G321-I323 VanDerWaalsContact C-N 3.3Å
324S65.7Low73.2Confident49 Ų4978.3 Ų78.334%0.34343%0.428SS..BIsolated β-bridgetrans-66.6136.9176.962.80000109.7L263 S265L263-S324 PolarHBondContact O-N 2.78Å; L263-S324 PolarHBondContact O-OG 2.82Å; S265-S324 PolarHBondContact OG-O 3.21Å; S265-S324 VanDerWaalsContact OG-O 3.05Å
325P70.7Confident73.5Confident110 Ų11079.1 Ų79.171%0.71442%0.424SS*.PPolyproline II helixtrans-58.5161.1172.526.9-34000110.4T327P325-T327 PolarHBondContact O-N 3.31Å
326W68.9Low73.6Confident123 Ų12380.5 Ų80.547%0.46643%0.429SS..PPolyproline II helixtrans-51134.4177.3-66.268.9000109.6S265 F330 L334S265-W326 PolarHBondContact OG-N 2.91Å; W326-F330 HydrophobicContact CE3-CB 4.11Å; W326-L334 HydrophobicContact CZ3-CD1 4.38Å
327T71.3Confident73.6Confident66 Ų6678.5 Ų78.541%0.40542%0.423SS..PPolyproline II helixtrans-64.2147.6176.7640000109.6E266 P325 R329 F330 Y331E266-T327 WeakPolarHBondContact OE1-CG2 3.43Å; E266-T327 PolarHBondContact OE1-OG1 3.42Å; P325-T327 PolarHBondContact O-N 3.31Å; T327-R329 PolarHBondContact O-N 3.45Å; T327-F330 PolarHBondContact O-N 2.73Å; T327-F330 VanDerWaalsContact OG1-CD2 3.22Å; T327-F330 WeakPolarHBondContact OG1-CD2 3.4Å; T327-Y331 PolarHBondContact O-N 3.43Å
328G68.6Low73.9Confident20 Ų2079.1 Ų79.121%0.20642%0.421CS..Hα-helixtrans-54.7-29.5-17300000114S332G328-S332 PolarHBondContact O-N 2.78Å; G328-S332 PolarHBondContact O-OG 2.95Å
329R68.4Low73.9Confident110 Ų11072.2 Ų72.242%0.41539%0.389SS..Hα-helixtrans-71.4-36.7176.6-174.4179.3176.7177.22.1113.7T327 S332T327-R329 PolarHBondContact O-N 3.45Å; R329-S332 PolarHBondContact O-OG 3.05Å
330F74.3Confident73.8Confident58 Ų5872.9 Ų72.925%0.25439%0.385SS..Hα-helixtrans-80.3-32.3174.1-72.4-75.3000111.3V213 E266 W326 T327 S332 L333V213-F330 HydrophobicContact CB-CE1 4.16Å; V213-F330 HydrophobicContact CB-CZ 3.83Å; V213-F330 HydrophobicContact CG1-CE1 3.83Å; V213-F330 HydrophobicContact CG1-CE2 4.45Å; V213-F330 HydrophobicContact CG1-CZ 3.77Å; V213-F330 HydrophobicContact CG2-CE2 4.45Å; V213-F330 HydrophobicContact CG2-CZ 3.92Å; E266-F330 VanDerWaalsContact CD-CE2 3.41Å; E266-F330 HydrophobicContact CG-CD2 4.1Å; E266-F330 HydrophobicContact CG-CE2 4.43Å; E266-F330 WeakPolarHBondContact OE1-CD2 3.47Å; E266-F330 WeakPolarHBondContact OE1-CE2 3.29Å; E266-F330 VanDerWaalsContact OE2-CE2 3.3Å; E266-F330 WeakPolarHBondContact OE2-CE2 3.4Å; W326-F330 HydrophobicContact CE3-CB 4.11Å; T327-F330 PolarHBondContact O-N 2.73Å; T327-F330 VanDerWaalsContact OG1-CD2 3.22Å; T327-F330 WeakPolarHBondContact OG1-CD2 3.4Å; F330-S332 VanDerWaalsContact C-N 3.27Å; F330-S332 PolarHBondContact O-N 3.31Å; F330-L333 HydrophobicContact CD1-CD1 3.95Å; F330-L333 WeakPolarHBondContact O-CB 3.18Å; F330-L333 PolarHBondContact O-N 3.18Å; F330-L333 VanDerWaalsContact O-N 3.1Å
331Y78.5Confident73.8Confident98 Ų9874.4 Ų74.438%0.38439%0.391SS..Hα-helixtrans-61.7-38.1172.9-165.5-98.2000111.4T327 L333 L334 D335 Y338T327-Y331 PolarHBondContact O-N 3.43Å; Y331-L333 PolarHBondContact O-N 3.02Å; Y331-L334 PolarHBondContact O-N 3.03Å; Y331-D335 HydrophobicContact CD1-CB 4.48Å; Y331-D335 HydrophobicContact CE1-CB 4.03Å; Y331-D335 PolarHBondContact O-N 3.08Å; Y331-Y338 AromaticContact CD1-CD1 3.75Å; Y331-Y338 HydrophobicContact CD1-CD1 3.75Å; Y331-Y338 AromaticContact CD1-CD2 3.68Å; Y331-Y338 HydrophobicContact CD1-CD2 3.68Å; Y331-Y338 HydrophobicContact CD1-CE1 4.25Å; Y331-Y338 HydrophobicContact CD1-CE2 4.18Å; Y331-Y338 AromaticContact CD1-CG 3.44Å; Y331-Y338 HydrophobicContact CD1-CG 3.44Å; Y331-Y338 VanDerWaalsContact CD1-CG 3.44Å; Y331-Y338 HydrophobicContact CE1-CD1 4.42Å; Y331-Y338 AromaticContact CE1-CD2 3.5Å; Y331-Y338 HydrophobicContact CE1-CD2 3.5Å; Y331-Y338 HydrophobicContact CE1-CE2 4.1Å; Y331-Y338 AromaticContact CE1-CG 3.69Å; Y331-Y338 HydrophobicContact CE1-CG 3.69Å
332S76.6Confident74.1Confident8 Ų876.4 Ų76.46%0.05639%0.388CS..Hα-helixtrans-64.9-17.4175.663.90000114.6G328 R329 F330 L334 D335 P336G328-S332 PolarHBondContact O-N 2.78Å; G328-S332 PolarHBondContact O-OG 2.95Å; R329-S332 PolarHBondContact O-OG 3.05Å; F330-S332 VanDerWaalsContact C-N 3.27Å; F330-S332 PolarHBondContact O-N 3.31Å; S332-L334 VanDerWaalsContact C-N 3.35Å; S332-D335 WeakPolarHBondContact CA-O 3.45Å; S332-D335 CarbonylContact O-C 3.58Å; S332-P336 WeakPolarHBondContact O-CA 3.21Å
333L79.2Confident74.5Confident15 Ų1571 Ų718%0.07937%0.366CS..Hα-helixtrans-77.9-23173.1-65173.2000112.6F330 Y331 F399 V402 M403 L406F330-L333 HydrophobicContact CD1-CD1 3.95Å; F330-L333 WeakPolarHBondContact O-CB 3.18Å; F330-L333 PolarHBondContact O-N 3.18Å; F330-L333 VanDerWaalsContact O-N 3.1Å; Y331-L333 PolarHBondContact O-N 3.02Å; L333-F399 HydrophobicContact CB-CD1 4.29Å; L333-F399 HydrophobicContact CB-CE1 4.1Å; L333-F399 HydrophobicContact CD1-CD1 4.19Å; L333-F399 HydrophobicContact CD1-CE1 4.16Å; L333-F399 HydrophobicContact CD2-CD1 4.41Å; L333-V402 HydrophobicContact CD2-CG1 4.21Å; L333-M403 HydrophobicContact CD2-CB 4.25Å; L333-M403 HydrophobicContact CD2-CE 3.71Å; L333-M403 HydrophobicContact CD2-SD 4.41Å; L333-L406 HydrophobicContact CD1-CD1 4.5Å; L333-L406 HydrophobicContact CD2-CD1 3.92Å
334L81.7Confident75.2Confident97 Ų9770.1 Ų70.151%0.50836%0.363SS..Hα-helixtrans-91.9-43.5174.7-65175.3000111W326 Y331 S332W326-L334 HydrophobicContact CZ3-CD1 4.38Å; Y331-L334 PolarHBondContact O-N 3.03Å; S332-L334 VanDerWaalsContact C-N 3.35Å
335D80.2Confident76.1Confident54 Ų5468.1 Ų68.129%0.28935%0.348SS..  trans-122.593.8174.4-178.56.7000110.9Y331 S332 S337 Y338Y331-D335 HydrophobicContact CD1-CB 4.48Å; Y331-D335 HydrophobicContact CE1-CB 4.03Å; Y331-D335 PolarHBondContact O-N 3.08Å; S332-D335 WeakPolarHBondContact CA-O 3.45Å; S332-D335 CarbonylContact O-C 3.58Å; D335-S337 VanDerWaalsContact CG-OG 3.3Å; D335-S337 PolarHBondContact O-N 3.16Å; D335-S337 VanDerWaalsContact O-N 3.1Å; D335-S337 WeakPolarHBondContact OD1-CB 3.4Å; D335-S337 PolarHBondContact OD1-N 3.28Å; D335-S337 PolarHBondContact OD1-OG 3.44Å; D335-S337 PolarHBondContact OD2-OG 3.18Å; D335-Y338 WeakPolarHBondContact O-CB 3.35Å; D335-Y338 PolarHBondContact O-N 3.46Å; D335-Y338 VanDerWaalsContact O-N 3.16Å
336P75.2Confident76.5Confident77 Ų7764 Ų6450%0.532%0.321SS..Hα-helixtrans-58.6-23.8178.3-24.534.4000113.8S332 Y338 V402S332-P336 WeakPolarHBondContact O-CA 3.21Å; P336-Y338 VanDerWaalsContact C-N 3.32Å; P336-Y338 PolarHBondContact O-N 3.17Å; P336-V402 HydrophobicContact CG-CG1 3.96Å
337S79.8Confident77.2Confident61 Ų6158.8 Ų58.843%0.42730%0.303SS..Hα-helixtrans-74.1-24.7-17876.90000112.9D335 A339 K340 N341D335-S337 VanDerWaalsContact CG-OG 3.3Å; D335-S337 PolarHBondContact O-N 3.16Å; D335-S337 VanDerWaalsContact O-N 3.1Å; D335-S337 WeakPolarHBondContact OD1-CB 3.4Å; D335-S337 PolarHBondContact OD1-N 3.28Å; D335-S337 PolarHBondContact OD1-OG 3.44Å; D335-S337 PolarHBondContact OD2-OG 3.18Å; S337-A339 PolarHBondContact O-N 2.86Å; S337-K340 PolarHBondContact O-N 3.43Å; S337-N341 PolarHBondContact O-N 3.49Å; S337-N341 PolarHBondContact O-ND2 2.9Å
338Y79.2Confident77.9Confident78 Ų7856.7 Ų56.731%0.30629%0.291SS..Hα-helixtrans-61.8-41.8-178.7-175.1-93000112.8Y331 D335 P336 K340 N341 N342 I343Y331-Y338 AromaticContact CD1-CD1 3.75Å; Y331-Y338 HydrophobicContact CD1-CD1 3.75Å; Y331-Y338 AromaticContact CD1-CD2 3.68Å; Y331-Y338 HydrophobicContact CD1-CD2 3.68Å; Y331-Y338 HydrophobicContact CD1-CE1 4.25Å; Y331-Y338 HydrophobicContact CD1-CE2 4.18Å; Y331-Y338 AromaticContact CD1-CG 3.44Å; Y331-Y338 HydrophobicContact CD1-CG 3.44Å; Y331-Y338 VanDerWaalsContact CD1-CG 3.44Å; Y331-Y338 HydrophobicContact CE1-CD1 4.42Å; Y331-Y338 AromaticContact CE1-CD2 3.5Å; Y331-Y338 HydrophobicContact CE1-CD2 3.5Å; Y331-Y338 HydrophobicContact CE1-CE2 4.1Å; Y331-Y338 AromaticContact CE1-CG 3.69Å; Y331-Y338 HydrophobicContact CE1-CG 3.69Å; D335-Y338 WeakPolarHBondContact O-CB 3.35Å; D335-Y338 PolarHBondContact O-N 3.46Å; D335-Y338 VanDerWaalsContact O-N 3.16Å; P336-Y338 VanDerWaalsContact C-N 3.32Å; P336-Y338 PolarHBondContact O-N 3.17Å; Y338-K340 PolarHBondContact O-N 3.02Å; Y338-N341 PolarHBondContact O-N 2.9Å; Y338-N342 WeakPolarHBondContact CD2-ND2 3.43Å; Y338-N342 HydrophobicContact CE1-CB 4.23Å; Y338-N342 HydrophobicContact CE2-CB 4.31Å; Y338-N342 WeakPolarHBondContact CE2-ND2 3.49Å; Y338-N342 WeakPolarHBondContact O-CB 3.44Å; Y338-N342 PolarHBondContact O-N 3.33Å; Y338-I343 HydrophobicContact CE1-CD1 4.06Å; Y338-I343 HydrophobicContact CE1-CG1 4.45Å
339A72.4Confident78.6Confident9 Ų957.3 Ų57.37%0.07429%0.291CS..Hα-helixtrans-62.4-45.2-178.600000111.7S337 N341 I343 I346S337-A339 PolarHBondContact O-N 2.86Å; A339-N341 VanDerWaalsContact C-N 3.32Å; A339-N341 PolarHBondContact O-N 3.22Å; A339-I343 CarbonylContact O-C 3.58Å; A339-I343 PolarHBondContact O-N 3.47Å; A339-I343 VanDerWaalsContact O-N 3.12Å; A339-I346 HydrophobicContact CB-CB 4.22Å; A339-I346 HydrophobicContact CB-CG2 3.9Å
340K72.6Confident79.4Confident165 Ų16556.6 Ų56.672%0.71730%0.303SS*.Hα-helixtrans-63.7-38.2-179.2-174.5177.1177.4-179.10112.4S337 Y338S337-K340 PolarHBondContact O-N 3.43Å; Y338-K340 PolarHBondContact O-N 3.02Å
341N77.2Confident79.9Confident116 Ų11655.1 Ų55.162%0.6230%0.297SS*.Hα-helixtrans-86-36.6-172.4-66-21000113.3S337 Y338 A339S337-N341 PolarHBondContact O-N 3.49Å; S337-N341 PolarHBondContact O-ND2 2.9Å; Y338-N341 PolarHBondContact O-N 2.9Å; A339-N341 VanDerWaalsContact C-N 3.32Å; A339-N341 PolarHBondContact O-N 3.22Å
342N78.1Confident80.2Confident96 Ų9652 Ų5251%0.51329%0.286SS..Hα-helixtrans-111.5-27.8-169.1-63.3-41000114Y338Y338-N342 WeakPolarHBondContact CD2-ND2 3.43Å; Y338-N342 HydrophobicContact CE1-CB 4.23Å; Y338-N342 HydrophobicContact CE2-CB 4.31Å; Y338-N342 WeakPolarHBondContact CE2-ND2 3.49Å; Y338-N342 WeakPolarHBondContact O-CB 3.44Å; Y338-N342 PolarHBondContact O-N 3.33Å
343I78.6Confident80.7Confident40 Ų4055.7 Ų55.721%0.20530%0.302CS..  trans-137.580.2-174-48.2178.2000109.6Y338 A339 I345 I346 A347Y338-I343 HydrophobicContact CE1-CD1 4.06Å; Y338-I343 HydrophobicContact CE1-CG1 4.45Å; A339-I343 CarbonylContact O-C 3.58Å; A339-I343 PolarHBondContact O-N 3.47Å; A339-I343 VanDerWaalsContact O-N 3.12Å; I343-I345 PolarHBondContact O-N 2.97Å; I343-I346 HydrophobicContact CB-CD1 4.01Å; I343-I346 HydrophobicContact CB-CG1 4.25Å; I343-I346 HydrophobicContact CD1-CD1 3.91Å; I343-I346 HydrophobicContact CG2-CB 4.38Å; I343-I346 HydrophobicContact CG2-CD1 3.77Å; I343-I346 HydrophobicContact CG2-CG1 3.71Å; I343-I346 PolarHBondContact O-N 3.38Å; I343-A347 PolarHBondContact O-N 2.89Å
344P82.5Confident81.1Confident22 Ų2259 Ų5914%0.14332%0.324CS..Hα-helixtrans-58.9-25.9-174.822.4-33.2000113.2I346 A347 S348 W598 R601 I602P344-I346 VanDerWaalsContact C-N 3.34Å; P344-I346 PolarHBondContact O-N 2.89Å; P344-A347 CarbonylContact O-C 3.51Å; P344-A347 PolarHBondContact O-N 3.33Å; P344-S348 WeakPolarHBondContact O-CB 3.45Å; P344-S348 PolarHBondContact O-N 2.97Å; P344-S348 PolarHBondContact O-OG 3.15Å; P344-W598 HydrophobicContact CB-CZ3 4.42Å; P344-R601 HydrophobicContact CB-CB 4.37Å; P344-I602 HydrophobicContact CB-CG1 4.32Å; P344-I602 HydrophobicContact CG-CG1 4.24Å
345I83.3Confident81.6Confident7 Ų755.2 Ų55.24%0.03631%0.305CS..Hα-helixtrans-61.7-39.6176-64.6170.3000111.8I343 A347 S348 T546 N549 I602I343-I345 PolarHBondContact O-N 2.97Å; I345-A347 VanDerWaalsContact C-N 3.35Å; I345-S348 WeakPolarHBondContact CA-OG 3.38Å; I345-S348 PolarHBondContact O-N 3.46Å; I345-S348 PolarHBondContact O-OG 3.05Å; I345-T546 HydrophobicContact CG2-CG2 3.99Å; I345-N549 HydrophobicContact CD1-CB 3.61Å; I345-N549 WeakPolarHBondContact CD1-OD1 3.34Å; I345-I602 HydrophobicContact CD1-CG2 4.02Å; I345-I602 HydrophobicContact CG1-CD1 3.72Å; I345-I602 HydrophobicContact CG1-CG1 3.75Å; I345-I602 HydrophobicContact CG1-CG2 3.99Å
346I80.8Confident82.2Confident25 Ų2556.4 Ų56.413%0.12831%0.314CS..Hα-helixtrans-69.5-39.9177.3-62.7174.7000109.4A339 I343 P344 S348 H352A339-I346 HydrophobicContact CB-CB 4.22Å; A339-I346 HydrophobicContact CB-CG2 3.9Å; I343-I346 HydrophobicContact CB-CD1 4.01Å; I343-I346 HydrophobicContact CB-CG1 4.25Å; I343-I346 HydrophobicContact CD1-CD1 3.91Å; I343-I346 HydrophobicContact CG2-CB 4.38Å; I343-I346 HydrophobicContact CG2-CD1 3.77Å; I343-I346 HydrophobicContact CG2-CG1 3.71Å; I343-I346 PolarHBondContact O-N 3.38Å; P344-I346 VanDerWaalsContact C-N 3.34Å; P344-I346 PolarHBondContact O-N 2.89Å; I346-S348 VanDerWaalsContact C-N 3.32Å; I346-S348 PolarHBondContact O-N 3.38Å; I346-H352 WeakPolarHBondContact O-CB 3.12Å; I346-H352 PolarHBondContact O-CD2 2.84Å; I346-H352 VanDerWaalsContact O-CD2 3.24Å
347A83.9Confident83Confident12 Ų1262.5 Ų62.510%0.09933%0.328CS..Hα-helixtrans-71.9-24.1178.700000113.6I343 P344 I345 V349 Q353 W598I343-A347 PolarHBondContact O-N 2.89Å; P344-A347 CarbonylContact O-C 3.51Å; P344-A347 PolarHBondContact O-N 3.33Å; I345-A347 VanDerWaalsContact C-N 3.35Å; A347-V349 VanDerWaalsContact C-N 3.31Å; A347-V349 PolarHBondContact O-N 3.33Å; A347-Q353 PolarHBondContact O-NE2 2.9Å; A347-W598 HydrophobicContact CB-CH2 4.02Å; A347-W598 HydrophobicContact CB-CZ3 4.22Å
348S85Confident83.7Confident23 Ų2362.4 Ų62.416%0.16133%0.327CS..Hα-helixtrans-72.7-22.7-179.360.20000113.8P344 I345 I346 S350 W598P344-S348 WeakPolarHBondContact O-CB 3.45Å; P344-S348 PolarHBondContact O-N 2.97Å; P344-S348 PolarHBondContact O-OG 3.15Å; I345-S348 WeakPolarHBondContact CA-OG 3.38Å; I345-S348 PolarHBondContact O-N 3.46Å; I345-S348 PolarHBondContact O-OG 3.05Å; I346-S348 VanDerWaalsContact C-N 3.32Å; I346-S348 PolarHBondContact O-N 3.38Å; S348-S350 PolarHBondContact O-N 3Å; S348-W598 VanDerWaalsContact CB-CE3 3.5Å
349V84.3Confident84.3Confident33 Ų3360.5 Ų60.520%0.233%0.325CS..SBendtrans-76121.6179.9-171.90000109.6A347 E351 H352 W526A347-V349 VanDerWaalsContact C-N 3.31Å; A347-V349 PolarHBondContact O-N 3.33Å; V349-E351 HydrophobicContact CG1-CB 3.89Å; V349-E351 HydrophobicContact CG1-CG 4.12Å; V349-E351 PolarHBondContact O-N 3.4Å; V349-E351 VanDerWaalsContact O-N 3.15Å; V349-H352 PolarHBondContact O-N 3.38Å; V349-W526 HydrophobicContact CG2-CH2 4.11Å
350S84.9Confident85.3Confident94 Ų9462 Ų6266%0.65733%0.329SS*.G310 helixtrans-58.1-30.1-179.858.20000113S348 H352 Q353S348-S350 PolarHBondContact O-N 3Å; S350-H352 PolarHBondContact O-N 3.37Å; S350-Q353 WeakPolarHBondContact O-CB 3.12Å; S350-Q353 WeakPolarHBondContact O-CG 3.49Å; S350-Q353 PolarHBondContact O-N 3.32Å
351E84.3Confident86.3Confident27 Ų2759.5 Ų59.513%0.12632%0.316CS..G310 helixtrans-66.6-22.4177.7-59-174.6175.300114.3R160 V349 Q353 M403 R405R160-E351 IonicContact CZ-OE1 3.48Å; R160-E351 VanDerWaalsContact CZ-OE1 3.26Å; R160-E351 IonicContact NH1-OE1 3.71Å; R160-E351 PolarHBondContact NH1-OE1 3.34Å; R160-E351 IonicContact NH2-OE1 2.86Å; R160-E351 PolarHBondContact NH2-OE1 3.29Å; V349-E351 HydrophobicContact CG1-CB 3.89Å; V349-E351 HydrophobicContact CG1-CG 4.12Å; V349-E351 PolarHBondContact O-N 3.4Å; V349-E351 VanDerWaalsContact O-N 3.15Å; E351-Q353 VanDerWaalsContact C-N 3.35Å; E351-M403 WeakPolarHBondContact O-CG 3.49Å; E351-R405 HydrophobicContact CB-CB 4.15Å; E351-R405 PolarHBondContact O-N 3.27Å; E351-R405 WeakPolarHBondContact OE2-CD 3.4Å; E351-R405 IonicContact OE2-CZ 2.83Å; E351-R405 VanDerWaalsContact OE2-CZ 3.25Å; E351-R405 IonicContact OE2-NE 3.79Å; E351-R405 PolarHBondContact OE2-NE 3.14Å; E351-R405 IonicContact OE2-NH1 2.61Å; E351-R405 PolarHBondContact OE2-NH1 3.16Å
352H85.1Confident87.1Confident33 Ų3357.1 Ų57.115%0.15330%0.3CS..G310 helixtrans-89.6-0.5-179.4-68-25.5000113.7I346 V349 S350 M403I346-H352 WeakPolarHBondContact O-CB 3.12Å; I346-H352 PolarHBondContact O-CD2 2.84Å; I346-H352 VanDerWaalsContact O-CD2 3.24Å; V349-H352 PolarHBondContact O-N 3.38Å; S350-H352 PolarHBondContact O-N 3.37Å; H352-M403 HydrophobicContact CB-CE 4.17Å; H352-M403 WeakPolarHBondContact ND1-CE 3.44Å; H352-M403 PolarHBondContact ND1-SD 2.9Å
353Q85.6Confident87.8Confident86 Ų8653.2 Ų53.240%0.40228%0.279SS..SBendtrans-73.2156175.8-62.2-59.5-39.400111.5A347 S350 E351 M403 V404A347-Q353 PolarHBondContact O-NE2 2.9Å; S350-Q353 WeakPolarHBondContact O-CB 3.12Å; S350-Q353 WeakPolarHBondContact O-CG 3.49Å; S350-Q353 PolarHBondContact O-N 3.32Å; E351-Q353 VanDerWaalsContact C-N 3.35Å; Q353-M403 WeakPolarHBondContact O-CA 3.47Å; Q353-V404 WeakPolarHBondContact O-CG2 3.22Å; Q353-V404 PolarHBondContact O-N 3.06Å
354P89.4Confident88.4Confident83 Ų8351.3 Ų51.354%0.53927%0.27SS..PPolyproline II helixtrans-70.9153.4175.829.7-35.7000112.3V402P354-V402 WeakPolarHBondContact CA-O 3.17Å
355T90.3Very high88.9Confident19 Ų1951.1 Ų51.112%0.11727%0.266CS..PPolyproline II helixtrans-89.3128.9-176.5-51.60000111.5Y360 S400 A401 V404T355-Y360 HydrophobicContact CG2-CD2 3.82Å; T355-Y360 HydrophobicContact CG2-CE2 3.57Å; T355-S400 WeakPolarHBondContact CB-O 3.32Å; T355-S400 PolarHBondContact OG1-O 2.94Å; T355-A401 PolarHBondContact N-O 2.98Å; T355-V404 HydrophobicContact CG2-CG2 4.4Å; T355-V404 VanDerWaalsContact OG1-CA 3.24Å; T355-V404 WeakPolarHBondContact OG1-CA 3.42Å; T355-V404 WeakPolarHBondContact OG1-CG2 3.37Å; T355-V404 PolarHBondContact OG1-N 3.17Å
356T92.9Very high89.3Confident78 Ų7851.4 Ų51.448%0.47927%0.268SS..PPolyproline II helixtrans-80.4153.9173.162.70000111.3S358 S359 Y360T356-S358 PolarHBondContact O-N 3.43Å; T356-S358 PolarHBondContact OG1-OG 3.48Å; T356-S359 WeakPolarHBondContact O-CB 3.34Å; T356-S359 PolarHBondContact O-N 3.41Å; T356-S359 PolarHBondContact OG1-OG 3.02Å; T356-Y360 WeakPolarHBondContact O-CD2 3.17Å; T356-Y360 PolarHBondContact O-N 2.66Å
357W93.2Very high89.8Confident206 Ų20650.2 Ų50.278%0.7826%0.262SS*.Hα-helixtrans-59.3-30.1178.373.8-92.7000112.8S359 Y360 Y361W357-S359 VanDerWaalsContact C-N 3.31Å; W357-S359 PolarHBondContact O-N 2.96Å; W357-Y360 WeakPolarHBondContact O-CB 3.46Å; W357-Y360 PolarHBondContact O-N 2.83Å; W357-Y361 PolarHBondContact O-N 3.47Å
358S93.3Very high90.3Very high58 Ų5851.9 Ų51.941%0.40627%0.271SS..Hα-helixtrans-62.6-38.1176.241.30000112T356 Y361 F362T356-S358 PolarHBondContact O-N 3.43Å; T356-S358 PolarHBondContact OG1-OG 3.48Å; S358-Y361 PolarHBondContact O-N 3.15Å; S358-F362 VanDerWaalsContact O-CB 3.27Å; S358-F362 WeakPolarHBondContact O-CB 3.32Å; S358-F362 PolarHBondContact O-N 3.43Å
359S92.1Very high90.6Very high38 Ų3856.8 Ų56.827%0.26629%0.29SS..Hα-helixtrans-65.8-37.8175.5-57.30000111.6T356 W357 Y361 F362 D363T356-S359 WeakPolarHBondContact O-CB 3.34Å; T356-S359 PolarHBondContact O-N 3.41Å; T356-S359 PolarHBondContact OG1-OG 3.02Å; W357-S359 VanDerWaalsContact C-N 3.31Å; W357-S359 PolarHBondContact O-N 2.96Å; S359-Y361 PolarHBondContact O-N 2.68Å; S359-F362 PolarHBondContact O-N 3.08Å; S359-D363 WeakPolarHBondContact O-CB 3.32Å; S359-D363 VanDerWaalsContact O-CG 3.28Å; S359-D363 PolarHBondContact O-N 3.38Å
360Y93.1Very high91Very high42 Ų4256.7 Ų56.717%0.16529%0.287CS..Hα-helixtrans-60.2-45.9173.9-77.6-83.3000112.7T355 T356 W357 L364 V368 S400 A401 M407 L410T355-Y360 HydrophobicContact CG2-CD2 3.82Å; T355-Y360 HydrophobicContact CG2-CE2 3.57Å; T356-Y360 WeakPolarHBondContact O-CD2 3.17Å; T356-Y360 PolarHBondContact O-N 2.66Å; W357-Y360 WeakPolarHBondContact O-CB 3.46Å; W357-Y360 PolarHBondContact O-N 2.83Å; Y360-L364 HydrophobicContact CD1-CD1 4.26Å; Y360-L364 VanDerWaalsContact O-CB 3.32Å; Y360-L364 WeakPolarHBondContact O-CB 3.4Å; Y360-L364 PolarHBondContact O-N 3.33Å; Y360-L364 VanDerWaalsContact O-N 3.12Å; Y360-V368 WeakPolarHBondContact O-CG2 3.33Å; Y360-S400 PolarHBondContact OH-O 3.45Å; Y360-S400 PolarHBondContact OH-OG 2.96Å; Y360-A401 VanDerWaalsContact OH-CA 3.25Å; Y360-A401 WeakPolarHBondContact OH-CA 3.39Å; Y360-A401 PolarHBondContact OH-N 2.88Å; Y360-M407 HydrophobicContact CD1-CE 3.44Å; Y360-M407 VanDerWaalsContact CD1-CE 3.44Å; Y360-M407 HydrophobicContact CD1-SD 4.28Å; Y360-M407 HydrophobicContact CE1-CE 3.88Å; Y360-M407 HydrophobicContact CE1-SD 4.25Å; Y360-M407 HydrophobicContact CG-CE 3.9Å; Y360-L410 HydrophobicContact CD1-CD2 4.21Å; Y360-L410 HydrophobicContact CE1-CD2 3.58Å
361Y94Very high91.4Very high111 Ų11152.8 Ų52.844%0.43526%0.258SS..Hα-helixtrans-68.1-39.9177.9-175-100.5000111.9W357 S358 S359 Q365 F369W357-Y361 PolarHBondContact O-N 3.47Å; S358-Y361 PolarHBondContact O-N 3.15Å; S359-Y361 PolarHBondContact O-N 2.68Å; Y361-Q365 HydrophobicContact CE2-CG 4.29Å; Y361-Q365 WeakPolarHBondContact O-CA 3.35Å; Y361-Q365 PolarHBondContact O-N 3.27Å; Y361-F369 HydrophobicContact CD2-CE2 4.41Å; Y361-F369 HydrophobicContact CE2-CE2 4.01Å; Y361-F369 HydrophobicContact CE2-CZ 4.45Å
362F94Very high91.8Very high67 Ų6755 Ų5529%0.29428%0.275SS..Hα-helixtrans-62.2-42.8178.8-169.2-105000112.2S358 S359 H474 W477 V478 A482 Y483S358-F362 VanDerWaalsContact O-CB 3.27Å; S358-F362 WeakPolarHBondContact O-CB 3.32Å; S358-F362 PolarHBondContact O-N 3.43Å; S359-F362 PolarHBondContact O-N 3.08Å; F362-H474 PolarHBondContact O-NE2 2.98Å; F362-W477 HydrophobicContact CE2-CH2 4.42Å; F362-W477 HydrophobicContact CE2-CZ3 4.01Å; F362-V478 HydrophobicContact CD1-CG1 4.09Å; F362-V478 HydrophobicContact CD2-CG2 4.23Å; F362-V478 HydrophobicContact CE1-CB 4.45Å; F362-V478 HydrophobicContact CE1-CG1 3.42Å; F362-V478 VanDerWaalsContact CE1-CG1 3.42Å; F362-V478 HydrophobicContact CE1-CG2 4.26Å; F362-V478 HydrophobicContact CE2-CG1 4.39Å; F362-V478 HydrophobicContact CE2-CG2 3.77Å; F362-V478 HydrophobicContact CZ-CB 4.21Å; F362-V478 HydrophobicContact CZ-CG1 3.6Å; F362-V478 HydrophobicContact CZ-CG2 3.78Å; F362-A482 HydrophobicContact CE1-CB 4Å; F362-A482 HydrophobicContact CZ-CB 3.81Å; F362-Y483 HydrophobicContact CE1-CE2 4.42Å
363D93.2Very high92.2Very high14 Ų1455.6 Ų55.68%0.07528%0.281CS..Hα-helixtrans-86.1-27-173.1-67.1-2.5000114.2P155 G156 S359 M407 Y483P155-D363 VanDerWaalsContact CD-O 3.31Å; P155-D363 WeakPolarHBondContact CD-O 3.44Å; G156-D363 PolarHBondContact N-O 3.23Å; S359-D363 WeakPolarHBondContact O-CB 3.32Å; S359-D363 VanDerWaalsContact O-CG 3.28Å; S359-D363 PolarHBondContact O-N 3.38Å; D363-M407 HydrophobicContact CB-CE 3.92Å; D363-Y483 PolarHBondContact OD1-OH 3.25Å
364L91.9Very high92.5Very high0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-124.9-23.3-168.3-61175.3000113.8V154 Y360 L366 L367 V368 M407 L410 A411 M414V154-L364 HydrophobicContact CG2-CD2 3.91Å; Y360-L364 HydrophobicContact CD1-CD1 4.26Å; Y360-L364 VanDerWaalsContact O-CB 3.32Å; Y360-L364 WeakPolarHBondContact O-CB 3.4Å; Y360-L364 PolarHBondContact O-N 3.33Å; Y360-L364 VanDerWaalsContact O-N 3.12Å; L364-L366 PolarHBondContact O-N 3.32Å; L364-L367 HydrophobicContact CB-CB 4.17Å; L364-L367 HydrophobicContact CB-CD1 4.5Å; L364-L367 HydrophobicContact CD2-CD1 4.06Å; L364-L367 VanDerWaalsContact O-CB 3.29Å; L364-L367 WeakPolarHBondContact O-CB 3.29Å; L364-L367 VanDerWaalsContact O-CG 3.32Å; L364-L367 WeakPolarHBondContact O-CG 3.47Å; L364-L367 PolarHBondContact O-N 2.77Å; L364-V368 HydrophobicContact CB-CG2 3.69Å; L364-V368 HydrophobicContact CD1-CG2 4.42Å; L364-M407 HydrophobicContact CD1-CE 3.86Å; L364-M407 HydrophobicContact CD1-SD 3.91Å; L364-M407 HydrophobicContact CG-CE 4.14Å; L364-M407 HydrophobicContact CG-SD 4.34Å; L364-L410 HydrophobicContact CD1-CD2 4.21Å; L364-A411 HydrophobicContact CD2-CB 4.28Å; L364-M414 HydrophobicContact CD1-CE 3.88Å; L364-M414 HydrophobicContact CD1-CG 3.96Å; L364-M414 HydrophobicContact CD2-CB 4.36Å; L364-M414 HydrophobicContact CD2-CG 4.49Å
365Q92.2Very high92.7Very high17 Ų1748.5 Ų48.58%0.07924%0.241CC..THydrogen-bonded Turntrans42.7-107.8177.3-165.2-165.511.600113.9Y361 L367 V368 Y471 H474Y361-Q365 HydrophobicContact CE2-CG 4.29Å; Y361-Q365 WeakPolarHBondContact O-CA 3.35Å; Y361-Q365 PolarHBondContact O-N 3.27Å; Q365-L367 PolarHBondContact O-N 3.08Å; Q365-V368 WeakPolarHBondContact O-CB 3.35Å; Q365-V368 PolarHBondContact O-N 2.94Å; Q365-Y471 HydrophobicContact CB-CD2 4.37Å; Q365-Y471 VanDerWaalsContact OE1-CA 3.26Å; Q365-H474 VanDerWaalsContact CD-CB 3.47Å; Q365-H474 VanDerWaalsContact CD-CG 3.43Å; Q365-H474 PolarHBondContact OE1-CD2 3.48Å
366L91.1Very high92.9Very high13 Ų1354.9 Ų54.97%0.06826%0.264CS..Hα-helixtrans-58.5-33.2-178.4177.963.3000112.6L364 V368 F369 M370 F467 L468 Y471L364-L366 PolarHBondContact O-N 3.32Å; L366-V368 PolarHBondContact O-N 2.81Å; L366-F369 PolarHBondContact O-N 3.22Å; L366-F369 VanDerWaalsContact O-N 3.15Å; L366-M370 HydrophobicContact CD1-CG 4.01Å; L366-M370 HydrophobicContact CG-CG 4.03Å; L366-M370 PolarHBondContact O-N 2.81Å; L366-M370 VanDerWaalsContact O-N 3.11Å; L366-F467 HydrophobicContact CD1-CB 3.97Å; L366-F467 HydrophobicContact CD1-CG 4.25Å; L366-F467 HydrophobicContact CD2-CB 3.99Å; L366-L468 HydrophobicContact CD2-CD2 4Å; L366-Y471 HydrophobicContact CB-CD2 4.18Å
367L93.1Very high92.8Very high1 Ų154.5 Ų54.51%0.00525%0.254CS..Hα-helixtrans-63.6-29-176.7-54173.9000111.6M150 V154 L364 Q365 F369 M370 F371 M414 S418 Y471M150-L367 HydrophobicContact CB-CD2 4.39Å; M150-L367 HydrophobicContact CG-CD2 4.26Å; M150-L367 HydrophobicContact SD-CD2 3.72Å; V154-L367 HydrophobicContact CG2-CD1 3.81Å; L364-L367 HydrophobicContact CB-CB 4.17Å; L364-L367 HydrophobicContact CB-CD1 4.5Å; L364-L367 HydrophobicContact CD2-CD1 4.06Å; L364-L367 VanDerWaalsContact O-CB 3.29Å; L364-L367 WeakPolarHBondContact O-CB 3.29Å; L364-L367 VanDerWaalsContact O-CG 3.32Å; L364-L367 WeakPolarHBondContact O-CG 3.47Å; L364-L367 PolarHBondContact O-N 2.77Å; Q365-L367 PolarHBondContact O-N 3.08Å; L367-F369 VanDerWaalsContact C-N 3.28Å; L367-F369 PolarHBondContact O-N 3.45Å; L367-M370 PolarHBondContact O-N 3.45Å; L367-F371 WeakPolarHBondContact O-CB 3.39Å; L367-F371 PolarHBondContact O-N 2.67Å; L367-M414 HydrophobicContact CB-CB 4.38Å; L367-M414 WeakPolarHBondContact O-CE 3.34Å; L367-S418 WeakPolarHBondContact CA-OG 3.05Å; L367-S418 VanDerWaalsContact CD2-CB 3.45Å; L367-S418 PolarHBondContact O-OG 3.35Å; L367-Y471 HydrophobicContact CD1-CE2 4.22Å; L367-Y471 HydrophobicContact CG-CE2 4.09Å
368V92.9Very high92.7Very high47 Ų4744.7 Ų44.729%0.28522%0.218SC..Hα-helixtrans-60.6-39.5177.1-177.40000111.1Y360 L364 Q365 L366 P372Y360-V368 WeakPolarHBondContact O-CG2 3.33Å; L364-V368 HydrophobicContact CB-CG2 3.69Å; L364-V368 HydrophobicContact CD1-CG2 4.42Å; Q365-V368 WeakPolarHBondContact O-CB 3.35Å; Q365-V368 PolarHBondContact O-N 2.94Å; L366-V368 PolarHBondContact O-N 2.81Å; V368-P372 VanDerWaalsContact O-CD 3.22Å; V368-P372 WeakPolarHBondContact O-CD 3.41Å
369F92Very high92.6Very high126 Ų12647.1 Ų47.155%0.55322%0.221SC*.Hα-helixtrans-83.5-33.5179.9-58-68.5000113Y361 L366 L367 P372Y361-F369 HydrophobicContact CD2-CE2 4.41Å; Y361-F369 HydrophobicContact CE2-CE2 4.01Å; Y361-F369 HydrophobicContact CE2-CZ 4.45Å; L366-F369 PolarHBondContact O-N 3.22Å; L366-F369 VanDerWaalsContact O-N 3.15Å; L367-F369 VanDerWaalsContact C-N 3.28Å; L367-F369 PolarHBondContact O-N 3.45Å; F369-P372 WeakPolarHBondContact O-CD 3.3Å
370M92.7Very high92.5Very high31 Ų3148.2 Ų48.215%0.15323%0.229CC..Hα-helixtrans-81.2-19.3-179.3-68.2-61.2107.200113.2L366 L367 V373 G374 V422 M464L366-M370 HydrophobicContact CD1-CG 4.01Å; L366-M370 HydrophobicContact CG-CG 4.03Å; L366-M370 PolarHBondContact O-N 2.81Å; L366-M370 VanDerWaalsContact O-N 3.11Å; L367-M370 PolarHBondContact O-N 3.45Å; M370-V373 WeakPolarHBondContact O-CB 3.23Å; M370-V373 PolarHBondContact O-N 3.36Å; M370-G374 PolarHBondContact O-N 3.24Å; M370-V422 HydrophobicContact CB-CG2 4.46Å; M370-V422 HydrophobicContact CG-CG2 3.93Å; M370-V422 HydrophobicContact SD-CG2 4.04Å; M370-M464 HydrophobicContact SD-CE 4.15Å
371F92.6Very high92.3Very high11 Ų1151 Ų515%0.04825%0.246CC..Hα-helixtrans-62.5-49.9178.8167.6-101.2000113.7L367 V373 G374 L375 M397 M414 L417 S418L367-F371 WeakPolarHBondContact O-CB 3.39Å; L367-F371 PolarHBondContact O-N 2.67Å; F371-V373 PolarHBondContact O-N 3.03Å; F371-G374 PolarHBondContact O-N 3.21Å; F371-G374 VanDerWaalsContact O-N 3.14Å; F371-L375 HydrophobicContact CD1-CD1 4.03Å; F371-L375 HydrophobicContact CE1-CD1 3.44Å; F371-L375 VanDerWaalsContact CE1-CD1 3.44Å; F371-L375 HydrophobicContact CE1-CG 4.33Å; F371-L375 HydrophobicContact CE2-CD1 4.11Å; F371-L375 HydrophobicContact CE2-CG 4.24Å; F371-L375 HydrophobicContact CZ-CD1 3.51Å; F371-L375 HydrophobicContact CZ-CG 4.14Å; F371-L375 PolarHBondContact O-N 3.49Å; F371-M397 HydrophobicContact CE1-CE 4.47Å; F371-M397 HydrophobicContact CE1-SD 3.93Å; F371-M397 HydrophobicContact CZ-SD 4.47Å; F371-M414 HydrophobicContact CB-CE 3.38Å; F371-M414 HydrophobicContact CB-SD 3.64Å; F371-M414 HydrophobicContact CD1-CE 4.16Å; F371-M414 HydrophobicContact CD1-SD 3.84Å; F371-M414 HydrophobicContact CD2-CE 4.12Å; F371-M414 HydrophobicContact CD2-CG 4.43Å; F371-M414 HydrophobicContact CD2-SD 3.13Å; F371-M414 WeakPolarHBondContact CD2-SD 3.31Å; F371-M414 HydrophobicContact CE1-SD 4.2Å; F371-M414 HydrophobicContact CE2-SD 3.52Å; F371-M414 VanDerWaalsContact CE2-SD 3.52Å; F371-M414 HydrophobicContact CG-CE 3.67Å; F371-M414 HydrophobicContact CG-SD 3.28Å; F371-M414 WeakPolarHBondContact CG-SD 3.35Å; F371-M414 HydrophobicContact CZ-SD 4.04Å; F371-L417 HydrophobicContact CD2-CB 3.96Å; F371-L417 HydrophobicContact CD2-CD1 3.57Å; F371-L417 HydrophobicContact CD2-CG 4.43Å; F371-L417 HydrophobicContact CE2-CD1 3.3Å; F371-L417 HydrophobicContact CZ-CD1 4.33Å; F371-S418 PolarHBondContact N-OG 3.41Å
372P93.8Very high92.1Very high73 Ų7349.6 Ų49.647%0.47425%0.246SC..Hα-helixtrans-59.8-35.6174.7-24.934.8000112.9V368 F369 L375 Y376V368-P372 VanDerWaalsContact O-CD 3.22Å; V368-P372 WeakPolarHBondContact O-CD 3.41Å; F369-P372 WeakPolarHBondContact O-CD 3.3Å; P372-L375 PolarHBondContact O-N 3.25Å; P372-Y376 WeakPolarHBondContact O-CB 3.22Å; P372-Y376 PolarHBondContact O-N 2.99Å
373V92.8Very high91.9Very high46 Ų4648.3 Ų48.328%0.27925%0.245SC..Hα-helixtrans-64-45.1175.7-179.50000110.6M370 F371 Y376 Y377M370-V373 WeakPolarHBondContact O-CB 3.23Å; M370-V373 PolarHBondContact O-N 3.36Å; F371-V373 PolarHBondContact O-N 3.03Å; V373-Y376 PolarHBondContact O-N 3.46Å; V373-Y377 HydrophobicContact CG1-CD2 3.96Å; V373-Y377 HydrophobicContact CG1-CE2 3.59Å; V373-Y377 WeakPolarHBondContact O-CD2 3.33Å; V373-Y377 PolarHBondContact O-N 3.47Å
374G92.5Very high91.8Very high0 Ų050.1 Ų50.10%026%0.255CS..Hα-helixtrans-60-45.7173.800000112.9M370 F371 Y377 C378 L417M370-G374 PolarHBondContact O-N 3.24Å; F371-G374 PolarHBondContact O-N 3.21Å; F371-G374 VanDerWaalsContact O-N 3.14Å; G374-Y377 PolarHBondContact O-N 2.96Å; G374-C378 PolarHBondContact O-N 3.13Å; G374-C378 VanDerWaalsContact O-N 3.08Å; G374-C378 PolarHBondContact O-SG 2.68Å; G374-C378 VanDerWaalsContact O-SG 3.38Å; G374-L417 VanDerWaalsContact CA-O 3.26Å; G374-L417 WeakPolarHBondContact CA-O 3.37Å
375L93Very high91.9Very high20 Ų2050.3 Ų50.311%0.10526%0.257CS..Hα-helixtrans-59.4-47.5175.3-77.5178000111.4F371 P372 Y377 C378 F379 I390 L417F371-L375 HydrophobicContact CD1-CD1 4.03Å; F371-L375 HydrophobicContact CE1-CD1 3.44Å; F371-L375 VanDerWaalsContact CE1-CD1 3.44Å; F371-L375 HydrophobicContact CE1-CG 4.33Å; F371-L375 HydrophobicContact CE2-CD1 4.11Å; F371-L375 HydrophobicContact CE2-CG 4.24Å; F371-L375 HydrophobicContact CZ-CD1 3.51Å; F371-L375 HydrophobicContact CZ-CG 4.14Å; F371-L375 PolarHBondContact O-N 3.49Å; P372-L375 PolarHBondContact O-N 3.25Å; L375-Y377 VanDerWaalsContact C-N 3.32Å; L375-Y377 PolarHBondContact O-N 3.11Å; L375-C378 WeakPolarHBondContact O-CB 3.25Å; L375-C378 PolarHBondContact O-N 3.37Å; L375-C378 VanDerWaalsContact O-N 3.07Å; L375-F379 HydrophobicContact CB-CD2 4.5Å; L375-F379 VanDerWaalsContact O-CD2 3.26Å; L375-F379 WeakPolarHBondContact O-CD2 3.45Å; L375-F379 PolarHBondContact O-N 2.98Å; L375-I390 HydrophobicContact CD2-CG1 4.28Å; L375-L417 HydrophobicContact CD2-CD1 3.55Å; L375-L417 HydrophobicContact CD2-CD2 4.11Å; L375-L417 HydrophobicContact CD2-CG 4.49Å; L375-L417 HydrophobicContact CG-CD1 3.95Å
376Y94.1Very high91.9Very high154 Ų15452 Ų5260%0.60426%0.262SS*.Hα-helixtrans-56.1-44.6179.7177.8-97.5000112.4P372 V373 F379 S380P372-Y376 WeakPolarHBondContact O-CB 3.22Å; P372-Y376 PolarHBondContact O-N 2.99Å; V373-Y376 PolarHBondContact O-N 3.46Å; Y376-F379 PolarHBondContact O-N 3.03Å; Y376-S380 WeakPolarHBondContact O-CB 3.36Å; Y376-S380 PolarHBondContact O-N 3.19Å; Y376-S380 PolarHBondContact O-OG 2.99Å
377Y91.3Very high92Very high69 Ų6952 Ų5227%0.27126%0.262SS..Hα-helixtrans-69.4-32.7176.8-73.2-59.6000113.5V373 G374 L375 S380 N381 Q424V373-Y377 HydrophobicContact CG1-CD2 3.96Å; V373-Y377 HydrophobicContact CG1-CE2 3.59Å; V373-Y377 WeakPolarHBondContact O-CD2 3.33Å; V373-Y377 PolarHBondContact O-N 3.47Å; G374-Y377 PolarHBondContact O-N 2.96Å; L375-Y377 VanDerWaalsContact C-N 3.32Å; L375-Y377 PolarHBondContact O-N 3.11Å; Y377-S380 PolarHBondContact O-N 3.48Å; Y377-N381 PolarHBondContact O-N 3.26Å; Y377-Q424 HydrophobicContact CD1-CG 3.74Å; Y377-Q424 HydrophobicContact CD2-CB 3.85Å; Y377-Q424 HydrophobicContact CD2-CG 3.83Å; Y377-Q424 HydrophobicContact CE1-CG 3.56Å; Y377-Q424 HydrophobicContact CE2-CB 3.79Å; Y377-Q424 HydrophobicContact CE2-CG 3.65Å; Y377-Q424 HydrophobicContact CG-CB 4.27Å; Y377-Q424 HydrophobicContact CG-CG 3.88Å
378C90.8Very high92.1Very high1 Ų151.9 Ų51.91%0.00726%0.262CS..Hα-helixtrans-66.4-40.4172.3-73.90000111.8G374 L375 N381 I390G374-C378 PolarHBondContact O-N 3.13Å; G374-C378 VanDerWaalsContact O-N 3.08Å; G374-C378 PolarHBondContact O-SG 2.68Å; G374-C378 VanDerWaalsContact O-SG 3.38Å; L375-C378 WeakPolarHBondContact O-CB 3.25Å; L375-C378 PolarHBondContact O-N 3.37Å; L375-C378 VanDerWaalsContact O-N 3.07Å; C378-N381 CarbonylContact O-C 3.48Å; C378-I390 HydrophobicContact CB-CD1 3.97Å; C378-I390 HydrophobicContact CB-CG1 3.92Å
379F92Very high92.2Very high109 Ų10949.7 Ų49.748%0.47825%0.248SC..Hα-helixtrans-67.6-36.8174.1-85.9-73.5000112.8L375 Y376 N381 L382 I390L375-F379 HydrophobicContact CB-CD2 4.5Å; L375-F379 VanDerWaalsContact O-CD2 3.26Å; L375-F379 WeakPolarHBondContact O-CD2 3.45Å; L375-F379 PolarHBondContact O-N 2.98Å; Y376-F379 PolarHBondContact O-N 3.03Å; F379-N381 PolarHBondContact O-N 3.43Å; F379-L382 HydrophobicContact CD1-CD2 4.34Å; F379-L382 WeakPolarHBondContact O-CG 3.12Å; F379-I390 HydrophobicContact CD1-CD1 3.98Å; F379-I390 HydrophobicContact CD2-CD1 4.07Å; F379-I390 HydrophobicContact CD2-CG1 4.41Å; F379-I390 HydrophobicContact CE1-CD1 4.1Å; F379-I390 HydrophobicContact CE1-CG2 3.99Å; F379-I390 HydrophobicContact CE2-CD1 4.18Å; F379-I390 HydrophobicContact CE2-CG1 4.23Å; F379-I390 HydrophobicContact CE2-CG2 3.63Å; F379-I390 HydrophobicContact CG-CD1 3.98Å; F379-I390 HydrophobicContact CZ-CB 4.5Å; F379-I390 HydrophobicContact CZ-CD1 4.2Å; F379-I390 HydrophobicContact CZ-CG1 4.47Å; F379-I390 HydrophobicContact CZ-CG2 3.3Å
380S90.3Very high92.3Very high61 Ų6144.3 Ų44.343%0.42723%0.225SC..Hα-helixtrans-64.1-28.6-179.6-620000112.7Y376 Y377Y376-S380 WeakPolarHBondContact O-CB 3.36Å; Y376-S380 PolarHBondContact O-N 3.19Å; Y376-S380 PolarHBondContact O-OG 2.99Å; Y377-S380 PolarHBondContact O-N 3.48Å
381N87.8Confident92.4Very high99 Ų9943.8 Ų43.853%0.52922%0.223SC..THydrogen-bonded Turntrans-130.374.8-177.5-68.8-58.5000110.5Y377 C378 F379 S383 R386Y377-N381 PolarHBondContact O-N 3.26Å; C378-N381 CarbonylContact O-C 3.48Å; F379-N381 PolarHBondContact O-N 3.43Å; N381-S383 PolarHBondContact O-N 3.09Å; N381-R386 WeakPolarHBondContact O-CD 3.5Å; N381-R386 PolarHBondContact O-NH1 2.96Å
382L89.6Confident92.5Very high82 Ų8243.3 Ų43.343%0.42922%0.221SC..  trans-66.9116.4-175.5-66.7171.2000112.9R231 F379 I387 I390R231-L382 PolarHBondContact NH1-O 2.83Å; R231-L382 PolarHBondContact NH2-O 2.88Å; F379-L382 HydrophobicContact CD1-CD2 4.34Å; F379-L382 WeakPolarHBondContact O-CG 3.12Å; L382-I387 HydrophobicContact CD2-CG1 4.26Å; L382-I390 HydrophobicContact CD2-CD1 4.12Å
383S90.9Very high92.5Very high41 Ų4139.8 Ų39.829%0.28720%0.198SC..  trans-124160.2166.870.50000109.8N381 A385 R386 I387N381-S383 PolarHBondContact O-N 3.09Å; S383-A385 PolarHBondContact O-N 3.45Å; S383-R386 PolarHBondContact O-N 2.83Å; S383-R386 WeakPolarHBondContact OG-CD 3.46Å; S383-R386 WeakPolarHBondContact OG-CG 3.36Å; S383-R386 PolarHBondContact OG-N 2.77Å; S383-I387 WeakPolarHBondContact O-CG1 3.39Å; S383-I387 PolarHBondContact O-N 3.33Å
384D91.5Very high92.6Very high51 Ų5141 Ų4127%0.27321%0.205SC..Hα-helixtrans-55.2-41.5-178-48.9-12000111V187 H222 L226 R231 R386 I387 F388V187-D384 HydrophobicContact CG1-CB 4.3Å; H222-D384 PolarHBondContact NE2-O 3.16Å; L226-D384 HydrophobicContact CD2-CB 4.01Å; R231-D384 IonicContact NH1-OD1 3.47Å; D384-R386 PolarHBondContact O-N 3.37Å; D384-I387 PolarHBondContact O-N 3.42Å; D384-F388 PolarHBondContact O-N 3.07Å
385A92.4Very high92.6Very high5 Ų542.3 Ų42.34%0.04121%0.213CC..Hα-helixtrans-67.9-33176.100000114L138 I184 S383 F388 I389L138-A385 HydrophobicContact CD2-CB 4.04Å; I184-A385 HydrophobicContact CG2-CB 3.67Å; S383-A385 PolarHBondContact O-N 3.45Å; A385-F388 WeakPolarHBondContact O-CB 3.33Å; A385-I389 PolarHBondContact O-N 2.9Å
386R92.5Very high92.6Very high51 Ų5141.4 Ų41.419%0.19221%0.208CC..Hα-helixtrans-76.2-33.6178.3-74.6170.2-174.8171.70.3111.8L138 N381 S383 D384 F388 I389 I390L138-R386 PolarHBondContact O-NE 3.41Å; L138-R386 VanDerWaalsContact O-NE 3.15Å; L138-R386 PolarHBondContact O-NH2 2.67Å; L138-R386 VanDerWaalsContact O-NH2 3.16Å; N381-R386 WeakPolarHBondContact O-CD 3.5Å; N381-R386 PolarHBondContact O-NH1 2.96Å; S383-R386 PolarHBondContact O-N 2.83Å; S383-R386 WeakPolarHBondContact OG-CD 3.46Å; S383-R386 WeakPolarHBondContact OG-CG 3.36Å; S383-R386 PolarHBondContact OG-N 2.77Å; D384-R386 PolarHBondContact O-N 3.37Å; R386-F388 VanDerWaalsContact C-N 3.29Å; R386-F388 PolarHBondContact O-N 3.5Å; R386-I389 PolarHBondContact O-N 3.02Å; R386-I390 VanDerWaalsContact O-CG1 3.28Å; R386-I390 WeakPolarHBondContact O-CG1 3.37Å; R386-I390 PolarHBondContact O-N 2.9Å
387I93.6Very high92.5Very high13 Ų1337.9 Ų37.97%0.06720%0.198CC..Hα-helixtrans-57.4-46.9172.3-68.1168.5000109.3V225 L226 L382 S383 D384 I389 I390 M391V225-I387 HydrophobicContact CG1-CG2 3.75Å; L226-I387 HydrophobicContact CD2-CD1 3.98Å; L382-I387 HydrophobicContact CD2-CG1 4.26Å; S383-I387 WeakPolarHBondContact O-CG1 3.39Å; S383-I387 PolarHBondContact O-N 3.33Å; D384-I387 PolarHBondContact O-N 3.42Å; I387-I389 PolarHBondContact O-N 3.49Å; I387-I390 PolarHBondContact O-N 3.48Å; I387-M391 HydrophobicContact CG2-CE 3.53Å; I387-M391 WeakPolarHBondContact O-CE 3.36Å; I387-M391 PolarHBondContact O-N 2.95Å
388F94.8Very high92.6Very high0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-52.2-49.8174.7-177.4-101.2000113.3Y180 W183 I184 L218 H222 D384 A385 R386 M391 Y392Y180-F388 AromaticContact CD1-CE1 3.9Å; Y180-F388 HydrophobicContact CD1-CE1 3.9Å; Y180-F388 HydrophobicContact CD1-CE2 4.45Å; Y180-F388 AromaticContact CD1-CZ 3.38Å; Y180-F388 HydrophobicContact CD1-CZ 3.38Å; Y180-F388 HydrophobicContact CD2-CE1 4.23Å; Y180-F388 HydrophobicContact CD2-CZ 4.33Å; Y180-F388 HydrophobicContact CE1-CE1 4.42Å; Y180-F388 AromaticContact CE1-CZ 3.61Å; Y180-F388 HydrophobicContact CE1-CZ 3.61Å; Y180-F388 AromaticContact CG-CE1 3.79Å; Y180-F388 HydrophobicContact CG-CE1 3.79Å; Y180-F388 AromaticContact CG-CZ 3.77Å; Y180-F388 HydrophobicContact CG-CZ 3.77Å; W183-F388 AromaticContact CD1-CD2 3.91Å; W183-F388 AromaticContact CD1-CE2 3.79Å; W183-F388 AromaticContact NE1-CD2 3.79Å; W183-F388 AromaticContact NE1-CE2 3.93Å; I184-F388 HydrophobicContact CD1-CD1 3.78Å; I184-F388 HydrophobicContact CD1-CE1 4.4Å; I184-F388 HydrophobicContact CG1-CD1 4.05Å; I184-F388 HydrophobicContact CG1-CG 4.49Å; L218-F388 HydrophobicContact CD2-CE2 4.07Å; L218-F388 HydrophobicContact CD2-CZ 3.87Å; L218-F388 HydrophobicContact CG-CE2 4.08Å; L218-F388 HydrophobicContact CG-CZ 4.39Å; H222-F388 HydrophobicContact CB-CD2 3.75Å; H222-F388 HydrophobicContact CB-CE2 4.38Å; H222-F388 AromaticContact CD2-CD2 3.95Å; H222-F388 AromaticContact CG-CD2 3.6Å; H222-F388 AromaticContact ND1-CD2 3.85Å; D384-F388 PolarHBondContact O-N 3.07Å; A385-F388 WeakPolarHBondContact O-CB 3.33Å; R386-F388 VanDerWaalsContact C-N 3.29Å; R386-F388 PolarHBondContact O-N 3.5Å; F388-M391 PolarHBondContact O-N 3.46Å; F388-Y392 WeakPolarHBondContact O-CB 3.38Å; F388-Y392 PolarHBondContact O-N 3.31Å
389I94.6Very high92.6Very high0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-71.4-33.3-176.3-69.1-65.7000112.6L138 I184 A385 R386 I387 Y392 G393 V413 L417L138-I389 HydrophobicContact CD1-CB 4.46Å; L138-I389 HydrophobicContact CD1-CD1 4.04Å; L138-I389 HydrophobicContact CD1-CG1 3.59Å; L138-I389 HydrophobicContact CD1-CG2 4.44Å; L138-I389 HydrophobicContact CD2-CG1 3.57Å; L138-I389 HydrophobicContact CG-CG1 4.21Å; I184-I389 HydrophobicContact CD1-CD1 4.43Å; I184-I389 HydrophobicContact CD1-CG1 4.4Å; A385-I389 PolarHBondContact O-N 2.9Å; R386-I389 PolarHBondContact O-N 3.02Å; I387-I389 PolarHBondContact O-N 3.49Å; I389-Y392 HydrophobicContact CD1-CD1 4.14Å; I389-Y392 PolarHBondContact O-N 3.44Å; I389-G393 PolarHBondContact O-N 2.84Å; I389-V413 HydrophobicContact CG2-CG2 4.46Å; I389-L417 HydrophobicContact CG2-CD1 4.28Å; I389-L417 HydrophobicContact CG2-CD2 3.73Å; I389-L417 HydrophobicContact CG2-CG 3.91Å
390I94.6Very high92.6Very high13 Ų1337.4 Ų37.47%0.06720%0.195CC..Hα-helixtrans-60.9-48.4172.1-70.9164.6000109.7L375 C378 F379 L382 R386 I387 Y392 G393 V394L375-I390 HydrophobicContact CD2-CG1 4.28Å; C378-I390 HydrophobicContact CB-CD1 3.97Å; C378-I390 HydrophobicContact CB-CG1 3.92Å; F379-I390 HydrophobicContact CD1-CD1 3.98Å; F379-I390 HydrophobicContact CD2-CD1 4.07Å; F379-I390 HydrophobicContact CD2-CG1 4.41Å; F379-I390 HydrophobicContact CE1-CD1 4.1Å; F379-I390 HydrophobicContact CE1-CG2 3.99Å; F379-I390 HydrophobicContact CE2-CD1 4.18Å; F379-I390 HydrophobicContact CE2-CG1 4.23Å; F379-I390 HydrophobicContact CE2-CG2 3.63Å; F379-I390 HydrophobicContact CG-CD1 3.98Å; F379-I390 HydrophobicContact CZ-CB 4.5Å; F379-I390 HydrophobicContact CZ-CD1 4.2Å; F379-I390 HydrophobicContact CZ-CG1 4.47Å; F379-I390 HydrophobicContact CZ-CG2 3.3Å; L382-I390 HydrophobicContact CD2-CD1 4.12Å; R386-I390 VanDerWaalsContact O-CG1 3.28Å; R386-I390 WeakPolarHBondContact O-CG1 3.37Å; R386-I390 PolarHBondContact O-N 2.9Å; I387-I390 PolarHBondContact O-N 3.48Å; I390-Y392 PolarHBondContact O-N 2.95Å; I390-G393 PolarHBondContact O-N 3.21Å; I390-V394 WeakPolarHBondContact O-CG2 3.17Å; I390-V394 PolarHBondContact O-N 2.73Å
391M94.1Very high92.6Very high21 Ų2136.7 Ų36.710%0.10319%0.193CC..Hα-helixtrans-61.4-45.2176.5-78.6178.8-69.300111.6L218 L221 H222 V225 I387 F388 G393 V394 T395L218-M391 HydrophobicContact CD1-CB 4.18Å; L221-M391 HydrophobicContact CD2-SD 4.46Å; L221-M391 HydrophobicContact CG-SD 4.02Å; H222-M391 HydrophobicContact CB-CE 3.52Å; H222-M391 HydrophobicContact CB-SD 4.45Å; H222-M391 WeakPolarHBondContact CD2-CE 3.3Å; V225-M391 HydrophobicContact CB-CE 4.22Å; V225-M391 HydrophobicContact CB-SD 3.81Å; V225-M391 HydrophobicContact CG1-CE 4.5Å; V225-M391 HydrophobicContact CG1-SD 4.29Å; V225-M391 HydrophobicContact CG2-SD 3.5Å; V225-M391 WeakPolarHBondContact CG2-SD 3.49Å; I387-M391 HydrophobicContact CG2-CE 3.53Å; I387-M391 WeakPolarHBondContact O-CE 3.36Å; I387-M391 PolarHBondContact O-N 2.95Å; F388-M391 PolarHBondContact O-N 3.46Å; M391-G393 VanDerWaalsContact C-N 3.29Å; M391-G393 PolarHBondContact O-N 3.29Å; M391-V394 PolarHBondContact O-N 3.22Å; M391-T395 WeakPolarHBondContact O-CB 3.48Å; M391-T395 WeakPolarHBondContact O-CG2 3.4Å; M391-T395 PolarHBondContact O-N 3.22Å; M391-T395 PolarHBondContact O-OG1 2.82Å
392Y95.3Very high92.7Very high0 Ų033.2 Ų33.20%018%0.175CC..Hα-helixtrans-56.6-43.7176.4-177.8-152.5000111.9M176 Y180 F214 L218 F388 I389 I390 T395 S396 V409 V413M176-Y392 WeakPolarHBondContact CE-OH 3.41Å; Y180-Y392 HydrophobicContact CD2-CD1 4.34Å; Y180-Y392 HydrophobicContact CD2-CE1 4.01Å; Y180-Y392 HydrophobicContact CE2-CD1 4.19Å; Y180-Y392 HydrophobicContact CE2-CD2 4.21Å; Y180-Y392 AromaticContact CE2-CE1 3.84Å; Y180-Y392 HydrophobicContact CE2-CE1 3.84Å; Y180-Y392 AromaticContact CE2-CE2 3.92Å; Y180-Y392 HydrophobicContact CE2-CE2 3.92Å; Y180-Y392 HydrophobicContact CE2-CG 4.37Å; Y180-Y392 AromaticContact CE2-CZ 3.73Å; F214-Y392 AromaticContact CE1-CD2 3.76Å; F214-Y392 HydrophobicContact CE1-CD2 3.76Å; F214-Y392 AromaticContact CE1-CE2 3.61Å; F214-Y392 HydrophobicContact CE1-CE2 3.61Å; F214-Y392 AromaticContact CZ-CD2 3.88Å; F214-Y392 HydrophobicContact CZ-CD2 3.88Å; F214-Y392 HydrophobicContact CZ-CE2 4.02Å; L218-Y392 HydrophobicContact CD2-CD2 3.81Å; L218-Y392 HydrophobicContact CD2-CG 4.05Å; F388-Y392 WeakPolarHBondContact O-CB 3.38Å; F388-Y392 PolarHBondContact O-N 3.31Å; I389-Y392 HydrophobicContact CD1-CD1 4.14Å; I389-Y392 PolarHBondContact O-N 3.44Å; I390-Y392 PolarHBondContact O-N 2.95Å; Y392-T395 PolarHBondContact O-OG1 3.04Å; Y392-S396 WeakPolarHBondContact CD2-OG 3.14Å; Y392-S396 WeakPolarHBondContact CE2-OG 3.29Å; Y392-S396 WeakPolarHBondContact O-CB 3.5Å; Y392-S396 PolarHBondContact O-N 3.42Å; Y392-S396 VanDerWaalsContact O-N 3.08Å; Y392-S396 PolarHBondContact O-OG 2.9Å; Y392-V409 HydrophobicContact CE2-CG1 4.04Å; Y392-V409 PolarHBondContact OH-O 2.99Å; Y392-V413 HydrophobicContact CD1-CB 3.65Å; Y392-V413 HydrophobicContact CD1-CG2 3.59Å; Y392-V413 HydrophobicContact CE1-CB 3.5Å; Y392-V413 VanDerWaalsContact CE1-CB 3.5Å; Y392-V413 HydrophobicContact CE1-CG1 4.36Å; Y392-V413 HydrophobicContact CE1-CG2 3.99Å; Y392-V413 HydrophobicContact CE2-CB 4.41Å; Y392-V413 HydrophobicContact CE2-CG1 4.46Å; Y392-V413 HydrophobicContact CG-CB 4.19Å; Y392-V413 HydrophobicContact CG-CG2 4.01Å
393G94.1Very high92.6Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-64.4-47.6178.200000112.8I389 I390 M391 M397I389-G393 PolarHBondContact O-N 2.84Å; I390-G393 PolarHBondContact O-N 3.21Å; M391-G393 VanDerWaalsContact C-N 3.29Å; M391-G393 PolarHBondContact O-N 3.29Å; G393-M397 VanDerWaalsContact O-CB 3.25Å; G393-M397 WeakPolarHBondContact O-CB 3.49Å; G393-M397 PolarHBondContact O-N 3.15Å
394V94.1Very high92.6Very high70 Ų7030.2 Ų30.242%0.42416%0.158SC..Hα-helixtrans-69.5-44-177175.20000111.8I390 M391 M397 Y398I390-V394 WeakPolarHBondContact O-CG2 3.17Å; I390-V394 PolarHBondContact O-N 2.73Å; M391-V394 PolarHBondContact O-N 3.22Å; V394-M397 PolarHBondContact O-N 3.22Å; V394-Y398 PolarHBondContact O-N 2.93Å; V394-Y398 VanDerWaalsContact O-N 3.17Å
395T92.9Very high92.4Very high28 Ų2830.1 Ų30.117%0.17215%0.154CC..Hα-helixtrans-68.1-44.1179.957.70000111.5L218 L221 M391 Y392 M397 Y398 F399L218-T395 HydrophobicContact CD1-CG2 4.3Å; L221-T395 HydrophobicContact CD2-CG2 4.1Å; M391-T395 WeakPolarHBondContact O-CB 3.48Å; M391-T395 WeakPolarHBondContact O-CG2 3.4Å; M391-T395 PolarHBondContact O-N 3.22Å; M391-T395 PolarHBondContact O-OG1 2.82Å; Y392-T395 PolarHBondContact O-OG1 3.04Å; T395-M397 VanDerWaalsContact C-N 3.3Å; T395-M397 PolarHBondContact O-N 2.88Å; T395-Y398 PolarHBondContact O-N 3.17Å; T395-F399 WeakPolarHBondContact O-CD2 3.31Å; T395-F399 PolarHBondContact O-N 2.93Å
396S93Very high92.3Very high1 Ų131.3 Ų31.31%0.00716%0.16CC..Hα-helixtrans-63.9-36.8177.9-53.30000111.9F214 Y392 F399 S400F214-S396 WeakPolarHBondContact CZ-OG 3.37Å; Y392-S396 WeakPolarHBondContact CD2-OG 3.14Å; Y392-S396 WeakPolarHBondContact CE2-OG 3.29Å; Y392-S396 WeakPolarHBondContact O-CB 3.5Å; Y392-S396 PolarHBondContact O-N 3.42Å; Y392-S396 VanDerWaalsContact O-N 3.08Å; Y392-S396 PolarHBondContact O-OG 2.9Å; S396-F399 PolarHBondContact O-N 3.43Å; S396-S400 VanDerWaalsContact O-CB 3.3Å; S396-S400 WeakPolarHBondContact O-CB 3.38Å; S396-S400 PolarHBondContact O-N 3.41Å; S396-S400 PolarHBondContact O-OG 2.88Å
397M93Very high92.2Very high80 Ų8029.1 Ų29.139%0.39415%0.152SC..Hα-helixtrans-61.9-47.1175.9179.9173.954.900111.2F371 G393 V394 T395 F399 S400 A401 L410F371-M397 HydrophobicContact CE1-CE 4.47Å; F371-M397 HydrophobicContact CE1-SD 3.93Å; F371-M397 HydrophobicContact CZ-SD 4.47Å; G393-M397 VanDerWaalsContact O-CB 3.25Å; G393-M397 WeakPolarHBondContact O-CB 3.49Å; G393-M397 PolarHBondContact O-N 3.15Å; V394-M397 PolarHBondContact O-N 3.22Å; T395-M397 VanDerWaalsContact C-N 3.3Å; T395-M397 PolarHBondContact O-N 2.88Å; M397-F399 PolarHBondContact O-N 3.47Å; M397-S400 PolarHBondContact O-N 3.46Å; M397-S400 PolarHBondContact O-OG 2.82Å; M397-A401 PolarHBondContact O-N 3.36Å; M397-A401 VanDerWaalsContact O-N 3.16Å; M397-L410 HydrophobicContact CB-CD1 4.31Å
398Y92.7Very high92.2Very high116 Ų11628.9 Ų28.946%0.45515%0.15SC..Hα-helixtrans-57.5-50.9175.2176.1-92.2000111.8V394 T395 S400 A401 V402V394-Y398 PolarHBondContact O-N 2.93Å; V394-Y398 VanDerWaalsContact O-N 3.17Å; T395-Y398 PolarHBondContact O-N 3.17Å; Y398-S400 PolarHBondContact O-N 3.02Å; Y398-A401 WeakPolarHBondContact O-CB 3.33Å; Y398-A401 PolarHBondContact O-N 3.49Å; Y398-A401 VanDerWaalsContact O-N 3.13Å; Y398-V402 HydrophobicContact CE1-CG2 4.17Å; Y398-V402 PolarHBondContact O-N 3.34Å
399F91.3Very high92.1Very high54 Ų5429.2 Ų29.224%0.23715%0.153CC..Hα-helixtrans-65.1-37.3-178-75.8-57.5000113.3F214 L333 T395 S396 M397 A401 V402 M403 L406F214-F399 HydrophobicContact CD2-CD2 4.27Å; F214-F399 HydrophobicContact CD2-CE2 4.25Å; F214-F399 AromaticContact CE2-CD2 3.87Å; F214-F399 HydrophobicContact CE2-CD2 3.87Å; F214-F399 HydrophobicContact CE2-CE2 4.02Å; L333-F399 HydrophobicContact CB-CD1 4.29Å; L333-F399 HydrophobicContact CB-CE1 4.1Å; L333-F399 HydrophobicContact CD1-CD1 4.19Å; L333-F399 HydrophobicContact CD1-CE1 4.16Å; L333-F399 HydrophobicContact CD2-CD1 4.41Å; T395-F399 WeakPolarHBondContact O-CD2 3.31Å; T395-F399 PolarHBondContact O-N 2.93Å; S396-F399 PolarHBondContact O-N 3.43Å; M397-F399 PolarHBondContact O-N 3.47Å; F399-A401 VanDerWaalsContact C-N 3.25Å; F399-A401 PolarHBondContact O-N 3.43Å; F399-V402 PolarHBondContact O-N 3.38Å; F399-M403 PolarHBondContact O-N 3.07Å; F399-M403 VanDerWaalsContact O-N 3.09Å; F399-L406 HydrophobicContact CB-CB 4.45Å; F399-L406 HydrophobicContact CB-CD1 3.75Å; F399-L406 HydrophobicContact CD1-CD1 4.45Å; F399-L406 HydrophobicContact CG-CD1 4.39Å
400S91.6Very high92.1Very high0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-65.8-27.117569.70000113.2T355 Y360 S396 M397 Y398 L410T355-S400 WeakPolarHBondContact CB-O 3.32Å; T355-S400 PolarHBondContact OG1-O 2.94Å; Y360-S400 PolarHBondContact OH-O 3.45Å; Y360-S400 PolarHBondContact OH-OG 2.96Å; S396-S400 VanDerWaalsContact O-CB 3.3Å; S396-S400 WeakPolarHBondContact O-CB 3.38Å; S396-S400 PolarHBondContact O-N 3.41Å; S396-S400 PolarHBondContact O-OG 2.88Å; M397-S400 PolarHBondContact O-N 3.46Å; M397-S400 PolarHBondContact O-OG 2.82Å; Y398-S400 PolarHBondContact O-N 3.02Å; S400-L410 WeakPolarHBondContact OG-CD2 3.27Å
401A90.2Very high92.1Very high46 Ų4628.7 Ų28.738%0.3815%0.15SC..Hα-helixtrans-73.8-36.5178.200000111.1T355 Y360 M397 Y398 F399T355-A401 PolarHBondContact N-O 2.98Å; Y360-A401 VanDerWaalsContact OH-CA 3.25Å; Y360-A401 WeakPolarHBondContact OH-CA 3.39Å; Y360-A401 PolarHBondContact OH-N 2.88Å; M397-A401 PolarHBondContact O-N 3.36Å; M397-A401 VanDerWaalsContact O-N 3.16Å; Y398-A401 WeakPolarHBondContact O-CB 3.33Å; Y398-A401 PolarHBondContact O-N 3.49Å; Y398-A401 VanDerWaalsContact O-N 3.13Å; F399-A401 VanDerWaalsContact C-N 3.25Å; F399-A401 PolarHBondContact O-N 3.43Å
402V88.7Confident92.1Very high25 Ų2527.7 Ų27.715%0.15215%0.145CC..Hα-helixtrans-74.8-34.5178.5179.70000112L333 P336 P354 Y398 F399L333-V402 HydrophobicContact CD2-CG1 4.21Å; P336-V402 HydrophobicContact CG-CG1 3.96Å; P354-V402 WeakPolarHBondContact CA-O 3.17Å; Y398-V402 HydrophobicContact CE1-CG2 4.17Å; Y398-V402 PolarHBondContact O-N 3.34Å; F399-V402 PolarHBondContact O-N 3.38Å
403M89.1Confident92.1Very high6 Ų627.7 Ų27.73%0.0315%0.145CC..  trans-140.8122.4-172.9-177173.1-64.300112.4L333 E351 H352 Q353 F399 R405 L406L333-M403 HydrophobicContact CD2-CB 4.25Å; L333-M403 HydrophobicContact CD2-CE 3.71Å; L333-M403 HydrophobicContact CD2-SD 4.41Å; E351-M403 WeakPolarHBondContact O-CG 3.49Å; H352-M403 HydrophobicContact CB-CE 4.17Å; H352-M403 WeakPolarHBondContact ND1-CE 3.44Å; H352-M403 PolarHBondContact ND1-SD 2.9Å; Q353-M403 WeakPolarHBondContact O-CA 3.47Å; F399-M403 PolarHBondContact O-N 3.07Å; F399-M403 VanDerWaalsContact O-N 3.09Å; M403-R405 VanDerWaalsContact C-N 3.32Å; M403-R405 HydrophobicContact CG-CB 4.14Å; M403-R405 PolarHBondContact O-N 2.67Å; M403-R405 HydrophobicContact SD-CB 4.35Å; M403-L406 HydrophobicContact CB-CD1 4.02Å; M403-L406 HydrophobicContact CB-CG 4.12Å; M403-L406 HydrophobicContact CG-CD1 4.46Å; M403-L406 HydrophobicContact CG-CG 4.21Å; M403-L406 PolarHBondContact O-N 3.18Å; M403-L406 HydrophobicContact SD-CD1 4.21Å; M403-L406 HydrophobicContact SD-CG 4.11Å
404V89.4Confident92.1Very high55 Ų5528.1 Ų28.133%0.33315%0.147SC..G310 helixtrans-56.5-40.7179.8172.90000112.6Q353 T355 L406 M407Q353-V404 WeakPolarHBondContact O-CG2 3.22Å; Q353-V404 PolarHBondContact O-N 3.06Å; T355-V404 HydrophobicContact CG2-CG2 4.4Å; T355-V404 VanDerWaalsContact OG1-CA 3.24Å; T355-V404 WeakPolarHBondContact OG1-CA 3.42Å; T355-V404 WeakPolarHBondContact OG1-CG2 3.37Å; T355-V404 PolarHBondContact OG1-N 3.17Å; V404-L406 PolarHBondContact O-N 2.64Å; V404-L406 VanDerWaalsContact O-N 3.12Å; V404-M407 WeakPolarHBondContact O-CB 3.38Å; V404-M407 PolarHBondContact O-N 3.46Å; V404-M407 VanDerWaalsContact O-N 3.09Å
405R88.3Confident92.2Very high48 Ų4824.8 Ų24.818%0.18113%0.127CC..G310 helixtrans-56.2-31.4178-159.9-174.7-179.8143.5-2.3113.3E169 E351 M403 M407 L408E169-R405 IonicContact OE1-CZ 2.77Å; E169-R405 VanDerWaalsContact OE1-CZ 3.28Å; E169-R405 IonicContact OE1-NE 3.61Å; E169-R405 PolarHBondContact OE1-NE 3.07Å; E169-R405 VanDerWaalsContact OE1-NE 3.08Å; E169-R405 IonicContact OE1-NH2 3.21Å; E169-R405 PolarHBondContact OE1-NH2 3.11Å; E169-R405 IonicContact OE2-NH2 2.61Å; E351-R405 HydrophobicContact CB-CB 4.15Å; E351-R405 PolarHBondContact O-N 3.27Å; E351-R405 WeakPolarHBondContact OE2-CD 3.4Å; E351-R405 IonicContact OE2-CZ 2.83Å; E351-R405 VanDerWaalsContact OE2-CZ 3.25Å; E351-R405 IonicContact OE2-NE 3.79Å; E351-R405 PolarHBondContact OE2-NE 3.14Å; E351-R405 IonicContact OE2-NH1 2.61Å; E351-R405 PolarHBondContact OE2-NH1 3.16Å; M403-R405 VanDerWaalsContact C-N 3.32Å; M403-R405 HydrophobicContact CG-CB 4.14Å; M403-R405 PolarHBondContact O-N 2.67Å; M403-R405 HydrophobicContact SD-CB 4.35Å; R405-M407 PolarHBondContact O-N 2.59Å; R405-L408 PolarHBondContact O-N 3.19Å
406L90.1Very high92.3Very high30 Ų3023.4 Ų23.416%0.15712%0.119CC..G310 helixtrans-79.7-2.1-175.7-62.5179.3000113.3L333 F399 M403 V404 L408 V409 L410L333-L406 HydrophobicContact CD1-CD1 4.5Å; L333-L406 HydrophobicContact CD2-CD1 3.92Å; F399-L406 HydrophobicContact CB-CB 4.45Å; F399-L406 HydrophobicContact CB-CD1 3.75Å; F399-L406 HydrophobicContact CD1-CD1 4.45Å; F399-L406 HydrophobicContact CG-CD1 4.39Å; M403-L406 HydrophobicContact CB-CD1 4.02Å; M403-L406 HydrophobicContact CB-CG 4.12Å; M403-L406 HydrophobicContact CG-CD1 4.46Å; M403-L406 HydrophobicContact CG-CG 4.21Å; M403-L406 PolarHBondContact O-N 3.18Å; M403-L406 HydrophobicContact SD-CD1 4.21Å; M403-L406 HydrophobicContact SD-CG 4.11Å; V404-L406 PolarHBondContact O-N 2.64Å; V404-L406 VanDerWaalsContact O-N 3.12Å; L406-L408 PolarHBondContact O-N 2.95Å; L406-V409 HydrophobicContact CD2-CG2 4.4Å; L406-V409 PolarHBondContact O-N 3.22Å; L406-V409 VanDerWaalsContact O-N 3.09Å; L406-L410 PolarHBondContact O-N 3.46Å
407M91.2Very high92.4Very high5 Ų523.4 Ų23.43%0.02512%0.118CC..Hα-helixtrans-55.2-32.6165.8-177.357.1116.300112.2Y360 D363 L364 V404 R405 V409 L410 A411Y360-M407 HydrophobicContact CD1-CE 3.44Å; Y360-M407 VanDerWaalsContact CD1-CE 3.44Å; Y360-M407 HydrophobicContact CD1-SD 4.28Å; Y360-M407 HydrophobicContact CE1-CE 3.88Å; Y360-M407 HydrophobicContact CE1-SD 4.25Å; Y360-M407 HydrophobicContact CG-CE 3.9Å; D363-M407 HydrophobicContact CB-CE 3.92Å; L364-M407 HydrophobicContact CD1-CE 3.86Å; L364-M407 HydrophobicContact CD1-SD 3.91Å; L364-M407 HydrophobicContact CG-CE 4.14Å; L364-M407 HydrophobicContact CG-SD 4.34Å; V404-M407 WeakPolarHBondContact O-CB 3.38Å; V404-M407 PolarHBondContact O-N 3.46Å; V404-M407 VanDerWaalsContact O-N 3.09Å; R405-M407 PolarHBondContact O-N 2.59Å; M407-V409 VanDerWaalsContact C-N 3.28Å; M407-V409 PolarHBondContact O-N 3.18Å; M407-L410 WeakPolarHBondContact O-CB 3.43Å; M407-L410 PolarHBondContact O-N 3.2Å; M407-L410 VanDerWaalsContact O-N 3.13Å; M407-L410 HydrophobicContact SD-CB 4.35Å; M407-L410 HydrophobicContact SD-CD2 3.89Å; M407-L410 HydrophobicContact SD-CG 4.5Å; M407-A411 PolarHBondContact O-N 3.1Å
408L92.8Very high92.5Very high8 Ų819.6 Ų19.64%0.04210%0.099CC..Hα-helixtrans-59.7-36.3176.2-17081.4000113Y157 R160 E169 I173 R405 L406 P412Y157-L408 HydrophobicContact CD2-CD1 3.87Å; R160-L408 HydrophobicContact CB-CD1 4.1Å; E169-L408 HydrophobicContact CB-CD2 3.62Å; E169-L408 HydrophobicContact CG-CD2 3.32Å; I173-L408 HydrophobicContact CD1-CD2 3.75Å; I173-L408 HydrophobicContact CD1-CG 3.76Å; I173-L408 HydrophobicContact CG1-CD1 4.44Å; I173-L408 HydrophobicContact CG1-CD2 3.83Å; I173-L408 HydrophobicContact CG1-CG 3.9Å; R405-L408 PolarHBondContact O-N 3.19Å; L406-L408 PolarHBondContact O-N 2.95Å; L408-P412 WeakPolarHBondContact O-CD 3.44Å
409V92.9Very high92.6Very high8 Ų814 Ų145%0.0488%0.078CC..Hα-helixtrans-77.4-31.3178.1179.80000110.6M176 W209 F214 Y392 L406 M407 P412M176-V409 HydrophobicContact CE-CG1 4.33Å; M176-V409 HydrophobicContact SD-CG1 4.05Å; W209-V409 HydrophobicContact CH2-CG2 3.82Å; W209-V409 HydrophobicContact CZ3-CG2 4.15Å; F214-V409 HydrophobicContact CD1-CG1 4.05Å; F214-V409 HydrophobicContact CE1-CG1 3.74Å; F214-V409 HydrophobicContact CZ-CG1 4.14Å; Y392-V409 HydrophobicContact CE2-CG1 4.04Å; Y392-V409 PolarHBondContact OH-O 2.99Å; L406-V409 HydrophobicContact CD2-CG2 4.4Å; L406-V409 PolarHBondContact O-N 3.22Å; L406-V409 VanDerWaalsContact O-N 3.09Å; M407-V409 VanDerWaalsContact C-N 3.28Å; M407-V409 PolarHBondContact O-N 3.18Å; V409-P412 WeakPolarHBondContact O-CD 3.36Å
410L94.3Very high92.8Very high2 Ų211.8 Ų11.81%0.017%0.068CC..Hα-helixtrans-70.8-38.4175.8179.465.5000112.4Y360 L364 M397 S400 L406 M407 V413 M414Y360-L410 HydrophobicContact CD1-CD2 4.21Å; Y360-L410 HydrophobicContact CE1-CD2 3.58Å; L364-L410 HydrophobicContact CD1-CD2 4.21Å; M397-L410 HydrophobicContact CB-CD1 4.31Å; S400-L410 WeakPolarHBondContact OG-CD2 3.27Å; L406-L410 PolarHBondContact O-N 3.46Å; M407-L410 WeakPolarHBondContact O-CB 3.43Å; M407-L410 PolarHBondContact O-N 3.2Å; M407-L410 VanDerWaalsContact O-N 3.13Å; M407-L410 HydrophobicContact SD-CB 4.35Å; M407-L410 HydrophobicContact SD-CD2 3.89Å; M407-L410 HydrophobicContact SD-CG 4.5Å; L410-V413 HydrophobicContact CD1-CG1 3.83Å; L410-V413 WeakPolarHBondContact O-CG1 3.44Å; L410-V413 PolarHBondContact O-N 2.92Å; L410-V413 VanDerWaalsContact O-N 3.15Å; L410-M414 HydrophobicContact CD1-CG 3.67Å; L410-M414 HydrophobicContact CD1-SD 3.85Å; L410-M414 HydrophobicContact CD2-CG 4.17Å; L410-M414 HydrophobicContact CD2-SD 4.4Å; L410-M414 HydrophobicContact CG-CG 3.53Å; L410-M414 HydrophobicContact CG-SD 4.16Å; L410-M414 VanDerWaalsContact O-CG 3.28Å; L410-M414 WeakPolarHBondContact O-CG 3.4Å; L410-M414 PolarHBondContact O-N 3.47Å
411A94.2Very high92.9Very high0 Ų011.8 Ų11.80%07%0.068CC..Hα-helixtrans-53.9-45.4-172.400000114.5V154 L364 M407 V413 M414 C415V154-A411 HydrophobicContact CG1-CB 4.44Å; V154-A411 HydrophobicContact CG2-CB 4.46Å; L364-A411 HydrophobicContact CD2-CB 4.28Å; M407-A411 PolarHBondContact O-N 3.1Å; A411-V413 PolarHBondContact O-N 2.96Å; A411-M414 PolarHBondContact O-N 2.68Å; A411-C415 PolarHBondContact O-N 3.21Å; A411-C415 VanDerWaalsContact O-N 3.09Å; A411-C415 PolarHBondContact O-SG 2.87Å
412P94.8Very high93Very high0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-61.8-43.3176.6-25.133.8000114.2I151 I173 M176 L177 L408 V409 M414 C415 I416I151-P412 HydrophobicContact CD1-CB 4.01Å; I151-P412 HydrophobicContact CD1-CG 4.26Å; I173-P412 HydrophobicContact CG2-CG 3.72Å; M176-P412 HydrophobicContact CE-CG 4.28Å; L177-P412 HydrophobicContact CD1-CB 3.99Å; L177-P412 HydrophobicContact CD1-CG 4.46Å; L177-P412 HydrophobicContact CD2-CB 3.78Å; L177-P412 HydrophobicContact CG-CB 4.32Å; L408-P412 WeakPolarHBondContact O-CD 3.44Å; V409-P412 WeakPolarHBondContact O-CD 3.36Å; P412-M414 VanDerWaalsContact C-N 3.34Å; P412-C415 PolarHBondContact O-N 3.19Å; P412-I416 WeakPolarHBondContact O-CD1 3.5Å; P412-I416 VanDerWaalsContact O-CG1 3.24Å; P412-I416 WeakPolarHBondContact O-CG1 3.32Å; P412-I416 PolarHBondContact O-N 3.39Å
413V94.7Very high93.2Very high0 Ų08.8 Ų8.80%05%0.045CC..Hα-helixtrans-70.4-33.9-178.764.90000111.8I389 Y392 L410 A411 C415 I416 L417I389-V413 HydrophobicContact CG2-CG2 4.46Å; Y392-V413 HydrophobicContact CD1-CB 3.65Å; Y392-V413 HydrophobicContact CD1-CG2 3.59Å; Y392-V413 HydrophobicContact CE1-CB 3.5Å; Y392-V413 VanDerWaalsContact CE1-CB 3.5Å; Y392-V413 HydrophobicContact CE1-CG1 4.36Å; Y392-V413 HydrophobicContact CE1-CG2 3.99Å; Y392-V413 HydrophobicContact CE2-CB 4.41Å; Y392-V413 HydrophobicContact CE2-CG1 4.46Å; Y392-V413 HydrophobicContact CG-CB 4.19Å; Y392-V413 HydrophobicContact CG-CG2 4.01Å; L410-V413 HydrophobicContact CD1-CG1 3.83Å; L410-V413 WeakPolarHBondContact O-CG1 3.44Å; L410-V413 PolarHBondContact O-N 2.92Å; L410-V413 VanDerWaalsContact O-N 3.15Å; A411-V413 PolarHBondContact O-N 2.96Å; V413-C415 VanDerWaalsContact C-N 3.34Å; V413-I416 PolarHBondContact O-N 3.27Å; V413-L417 HydrophobicContact CG2-CD1 3.82Å; V413-L417 HydrophobicContact CG2-CG 4.39Å; V413-L417 WeakPolarHBondContact O-CB 3.26Å; V413-L417 PolarHBondContact O-N 3.31Å
414M95Very high93.3Very high8 Ų811.1 Ų11.14%0.0396%0.056CC..Hα-helixtrans-60.7-43.4171.3-66-67.3-72.400111.3L364 L367 F371 L410 A411 P412 S418L364-M414 HydrophobicContact CD1-CE 3.88Å; L364-M414 HydrophobicContact CD1-CG 3.96Å; L364-M414 HydrophobicContact CD2-CB 4.36Å; L364-M414 HydrophobicContact CD2-CG 4.49Å; L367-M414 HydrophobicContact CB-CB 4.38Å; L367-M414 WeakPolarHBondContact O-CE 3.34Å; F371-M414 HydrophobicContact CB-CE 3.38Å; F371-M414 HydrophobicContact CB-SD 3.64Å; F371-M414 HydrophobicContact CD1-CE 4.16Å; F371-M414 HydrophobicContact CD1-SD 3.84Å; F371-M414 HydrophobicContact CD2-CE 4.12Å; F371-M414 HydrophobicContact CD2-CG 4.43Å; F371-M414 HydrophobicContact CD2-SD 3.13Å; F371-M414 WeakPolarHBondContact CD2-SD 3.31Å; F371-M414 HydrophobicContact CE1-SD 4.2Å; F371-M414 HydrophobicContact CE2-SD 3.52Å; F371-M414 VanDerWaalsContact CE2-SD 3.52Å; F371-M414 HydrophobicContact CG-CE 3.67Å; F371-M414 HydrophobicContact CG-SD 3.28Å; F371-M414 WeakPolarHBondContact CG-SD 3.35Å; F371-M414 HydrophobicContact CZ-SD 4.04Å; L410-M414 HydrophobicContact CD1-CG 3.67Å; L410-M414 HydrophobicContact CD1-SD 3.85Å; L410-M414 HydrophobicContact CD2-CG 4.17Å; L410-M414 HydrophobicContact CD2-SD 4.4Å; L410-M414 HydrophobicContact CG-CG 3.53Å; L410-M414 HydrophobicContact CG-SD 4.16Å; L410-M414 VanDerWaalsContact O-CG 3.28Å; L410-M414 WeakPolarHBondContact O-CG 3.4Å; L410-M414 PolarHBondContact O-N 3.47Å; A411-M414 PolarHBondContact O-N 2.68Å; P412-M414 VanDerWaalsContact C-N 3.34Å; M414-S418 WeakPolarHBondContact O-CB 3.35Å; M414-S418 PolarHBondContact O-N 3.05Å; M414-S418 PolarHBondContact O-OG 2.85Å
415C95.7Very high93.4Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-64.6-43176.3-65.70000112.2M150 I151 A411 P412 V413 G419M150-C415 HydrophobicContact CB-CB 4.17Å; I151-C415 HydrophobicContact CB-CB 4.15Å; A411-C415 PolarHBondContact O-N 3.21Å; A411-C415 VanDerWaalsContact O-N 3.09Å; A411-C415 PolarHBondContact O-SG 2.87Å; P412-C415 PolarHBondContact O-N 3.19Å; V413-C415 VanDerWaalsContact C-N 3.34Å; C415-G419 PolarHBondContact O-N 3.41Å
416I95.5Very high93.4Very high0 Ų08.6 Ų8.60%05%0.045CC..Hα-helixtrans-64.7-50.4-180-66.2164000110.9T131 L134 T135 L138 L177 P412 V413 G419 I420T131-I416 HydrophobicContact CG2-CG1 3.95Å; L134-I416 HydrophobicContact CD2-CD1 3.58Å; L134-I416 HydrophobicContact CG-CD1 4.27Å; T135-I416 HydrophobicContact CG2-CG2 4.25Å; L138-I416 HydrophobicContact CD1-CG2 3.5Å; L177-I416 HydrophobicContact CD2-CD1 4.47Å; P412-I416 WeakPolarHBondContact O-CD1 3.5Å; P412-I416 VanDerWaalsContact O-CG1 3.24Å; P412-I416 WeakPolarHBondContact O-CG1 3.32Å; P412-I416 PolarHBondContact O-N 3.39Å; V413-I416 PolarHBondContact O-N 3.27Å; I416-G419 PolarHBondContact O-N 3.47Å; I416-I420 HydrophobicContact CG2-CD1 4.19Å; I416-I420 WeakPolarHBondContact O-CG1 3.27Å; I416-I420 PolarHBondContact O-N 3.45Å
417L95.3Very high93.3Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-69.2-41.5-178.8-76.4167000112F371 G374 L375 I389 V413 G419 I420 G421F371-L417 HydrophobicContact CD2-CB 3.96Å; F371-L417 HydrophobicContact CD2-CD1 3.57Å; F371-L417 HydrophobicContact CD2-CG 4.43Å; F371-L417 HydrophobicContact CE2-CD1 3.3Å; F371-L417 HydrophobicContact CZ-CD1 4.33Å; G374-L417 VanDerWaalsContact CA-O 3.26Å; G374-L417 WeakPolarHBondContact CA-O 3.37Å; L375-L417 HydrophobicContact CD2-CD1 3.55Å; L375-L417 HydrophobicContact CD2-CD2 4.11Å; L375-L417 HydrophobicContact CD2-CG 4.49Å; L375-L417 HydrophobicContact CG-CD1 3.95Å; I389-L417 HydrophobicContact CG2-CD1 4.28Å; I389-L417 HydrophobicContact CG2-CD2 3.73Å; I389-L417 HydrophobicContact CG2-CG 3.91Å; V413-L417 HydrophobicContact CG2-CD1 3.82Å; V413-L417 HydrophobicContact CG2-CG 4.39Å; V413-L417 WeakPolarHBondContact O-CB 3.26Å; V413-L417 PolarHBondContact O-N 3.31Å; L417-G419 VanDerWaalsContact C-N 3.33Å; L417-G419 PolarHBondContact O-N 2.94Å; L417-I420 WeakPolarHBondContact O-CB 3.26Å; L417-I420 PolarHBondContact O-N 3.37Å; L417-G421 PolarHBondContact O-N 2.76Å
418S95.2Very high93.1Very high0 Ų011.8 Ų11.80%07%0.067CC..Hα-helixtrans-63.9-39.9174.1-59.90000111.5L367 F371 M414 I420 G421 V422L367-S418 WeakPolarHBondContact CA-OG 3.05Å; L367-S418 VanDerWaalsContact CD2-CB 3.45Å; L367-S418 PolarHBondContact O-OG 3.35Å; F371-S418 PolarHBondContact N-OG 3.41Å; M414-S418 WeakPolarHBondContact O-CB 3.35Å; M414-S418 PolarHBondContact O-N 3.05Å; M414-S418 PolarHBondContact O-OG 2.85Å; S418-I420 VanDerWaalsContact C-N 3.33Å; S418-I420 PolarHBondContact O-N 3.26Å; S418-G421 PolarHBondContact O-N 3.23Å; S418-V422 WeakPolarHBondContact O-CB 3.34Å; S418-V422 WeakPolarHBondContact O-CG2 3.5Å; S418-V422 PolarHBondContact O-N 3.24Å
419G94.9Very high92.8Very high0 Ų014.9 Ų14.90%08%0.079CC..Hα-helixtrans-60.8-39.6173.800000112.7C415 I416 L417 S423C415-G419 PolarHBondContact O-N 3.41Å; I416-G419 PolarHBondContact O-N 3.47Å; L417-G419 VanDerWaalsContact C-N 3.33Å; L417-G419 PolarHBondContact O-N 2.94Å; G419-S423 WeakPolarHBondContact O-CB 3.31Å; G419-S423 PolarHBondContact O-N 3.25Å
420I94.7Very high92.3Very high7 Ų719.3 Ų19.34%0.03610%0.101CC..Hα-helixtrans-64.4-45172.8-73.3167.4000111.4T135 L138 K139 A143 I416 L417 S418 Q424T135-I420 HydrophobicContact CG2-CG1 4.19Å; L138-I420 HydrophobicContact CB-CD1 4.07Å; L138-I420 HydrophobicContact CD1-CD1 4.01Å; K139-I420 HydrophobicContact CB-CG1 4.49Å; K139-I420 HydrophobicContact CD-CG2 4.15Å; K139-I420 PolarHBondContact NZ-O 2.91Å; A143-I420 HydrophobicContact CB-CG1 4.17Å; I416-I420 HydrophobicContact CG2-CD1 4.19Å; I416-I420 WeakPolarHBondContact O-CG1 3.27Å; I416-I420 PolarHBondContact O-N 3.45Å; L417-I420 WeakPolarHBondContact O-CB 3.26Å; L417-I420 PolarHBondContact O-N 3.37Å; S418-I420 VanDerWaalsContact C-N 3.33Å; S418-I420 PolarHBondContact O-N 3.26Å; I420-Q424 WeakPolarHBondContact O-CB 3.41Å; I420-Q424 PolarHBondContact O-N 3.05Å
421G93.7Very high91.6Very high0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-62.2-52178.600000112.2L417 S418 S423 Q424 V425L417-G421 PolarHBondContact O-N 2.76Å; S418-G421 PolarHBondContact O-N 3.23Å; G421-S423 PolarHBondContact O-N 2.88Å; G421-Q424 WeakPolarHBondContact O-CB 3.38Å; G421-Q424 PolarHBondContact O-N 2.77Å; G421-Q424 VanDerWaalsContact O-N 3.09Å; G421-V425 WeakPolarHBondContact O-CG2 3.25Å; G421-V425 PolarHBondContact O-N 3.45Å
422V93Very high90.7Very high0 Ų029.5 Ų29.50%015%0.148CC..Hα-helixtrans-61.8-44.7177174.60000111L146 M150 M370 S418 Q424 V425 L426 M464L146-V422 HydrophobicContact CD1-CB 4.32Å; L146-V422 HydrophobicContact CD1-CG1 3.94Å; M150-V422 HydrophobicContact CE-CB 4.23Å; M150-V422 HydrophobicContact CE-CG2 3.89Å; M370-V422 HydrophobicContact CB-CG2 4.46Å; M370-V422 HydrophobicContact CG-CG2 3.93Å; M370-V422 HydrophobicContact SD-CG2 4.04Å; S418-V422 WeakPolarHBondContact O-CB 3.34Å; S418-V422 WeakPolarHBondContact O-CG2 3.5Å; S418-V422 PolarHBondContact O-N 3.24Å; V422-Q424 VanDerWaalsContact C-N 3.25Å; V422-Q424 PolarHBondContact O-N 2.82Å; V422-V425 PolarHBondContact O-N 2.87Å; V422-L426 HydrophobicContact CG1-CD1 3.78Å; V422-L426 HydrophobicContact CG1-CG 4.19Å; V422-L426 WeakPolarHBondContact O-CB 3.32Å; V422-L426 VanDerWaalsContact O-CG 3.31Å; V422-L426 WeakPolarHBondContact O-CG 3.3Å; V422-L426 PolarHBondContact O-N 2.81Å; V422-M464 HydrophobicContact CB-SD 4.44Å; V422-M464 HydrophobicContact CG1-CG 3.96Å; V422-M464 HydrophobicContact CG1-SD 3.84Å; V422-M464 HydrophobicContact CG2-CE 4.35Å; V422-M464 HydrophobicContact CG2-SD 3.88Å
423S93.4Very high89.5Confident7 Ų732.5 Ų32.55%0.04916%0.163CC..Hα-helixtrans-57-39.4173.7163.20000111.9K139 D140 G419 G421 S427K139-S423 PolarHBondContact NZ-OG 3.44Å; D140-S423 PolarHBondContact OD1-OG 3.3Å; G419-S423 WeakPolarHBondContact O-CB 3.31Å; G419-S423 PolarHBondContact O-N 3.25Å; G421-S423 PolarHBondContact O-N 2.88Å; S423-S427 VanDerWaalsContact O-CB 3.25Å; S423-S427 WeakPolarHBondContact O-CB 3.17Å; S423-S427 PolarHBondContact O-N 3.46Å; S423-S427 PolarHBondContact O-OG 3.29Å
424Q91Very high87.9Confident56 Ų5638.9 Ų38.926%0.26220%0.197SC..Hα-helixtrans-70.5-42-179.1-16959.726.100112.1K139 Y377 I420 G421 V422 S427 T428K139-Q424 VanDerWaalsContact NZ-CA 3.26Å; Y377-Q424 HydrophobicContact CD1-CG 3.74Å; Y377-Q424 HydrophobicContact CD2-CB 3.85Å; Y377-Q424 HydrophobicContact CD2-CG 3.83Å; Y377-Q424 HydrophobicContact CE1-CG 3.56Å; Y377-Q424 HydrophobicContact CE2-CB 3.79Å; Y377-Q424 HydrophobicContact CE2-CG 3.65Å; Y377-Q424 HydrophobicContact CG-CB 4.27Å; Y377-Q424 HydrophobicContact CG-CG 3.88Å; I420-Q424 WeakPolarHBondContact O-CB 3.41Å; I420-Q424 PolarHBondContact O-N 3.05Å; G421-Q424 WeakPolarHBondContact O-CB 3.38Å; G421-Q424 PolarHBondContact O-N 2.77Å; G421-Q424 VanDerWaalsContact O-N 3.09Å; V422-Q424 VanDerWaalsContact C-N 3.25Å; V422-Q424 PolarHBondContact O-N 2.82Å; Q424-S427 WeakPolarHBondContact CA-OG 3.36Å; Q424-S427 PolarHBondContact O-OG 2.79Å; Q424-T428 WeakPolarHBondContact O-CB 3.31Å; Q424-T428 PolarHBondContact O-N 3.45Å; Q424-T428 VanDerWaalsContact O-N 3.09Å; Q424-T428 PolarHBondContact O-OG1 3.31Å
425V90.1Very high85.9Confident15 Ų1543.3 Ų43.39%0.09122%0.22CC..Hα-helixtrans-59.4-54.6173.3171.80000109.5G421 V422 S427 T428 Y429 M460 M464G421-V425 WeakPolarHBondContact O-CG2 3.25Å; G421-V425 PolarHBondContact O-N 3.45Å; V422-V425 PolarHBondContact O-N 2.87Å; V425-S427 PolarHBondContact O-N 3.17Å; V425-T428 PolarHBondContact O-N 2.75Å; V425-T428 VanDerWaalsContact O-N 3.14Å; V425-Y429 HydrophobicContact CG1-CD2 3.83Å; V425-Y429 HydrophobicContact CG1-CE2 3.9Å; V425-Y429 WeakPolarHBondContact O-CD2 3.24Å; V425-Y429 PolarHBondContact O-N 2.89Å; V425-Y429 VanDerWaalsContact O-N 3.11Å; V425-M460 HydrophobicContact CG1-CE 3.64Å; V425-M460 HydrophobicContact CG1-CG 4.25Å; V425-M464 HydrophobicContact CB-CE 4.38Å; V425-M464 HydrophobicContact CG1-CE 3.94Å
426L89.8Confident83.4Confident34 Ų3448.6 Ų48.618%0.17826%0.257CS..Hα-helixtrans-59.2-48-179.1-69175.6000112.3L146 V422 T428 Y429 M430 I461 M464L146-L426 HydrophobicContact CD1-CD1 4.22Å; V422-L426 HydrophobicContact CG1-CD1 3.78Å; V422-L426 HydrophobicContact CG1-CG 4.19Å; V422-L426 WeakPolarHBondContact O-CB 3.32Å; V422-L426 VanDerWaalsContact O-CG 3.31Å; V422-L426 WeakPolarHBondContact O-CG 3.3Å; V422-L426 PolarHBondContact O-N 2.81Å; L426-T428 PolarHBondContact O-N 3.41Å; L426-Y429 PolarHBondContact O-N 2.98Å; L426-M430 HydrophobicContact CB-SD 4.41Å; L426-M430 WeakPolarHBondContact O-CB 3.49Å; L426-M430 WeakPolarHBondContact O-CG 3.26Å; L426-M430 PolarHBondContact O-N 2.94Å; L426-I461 HydrophobicContact CD2-CG1 4.14Å; L426-M464 HydrophobicContact CD2-CB 4.28Å; L426-M464 HydrophobicContact CD2-CG 4.05Å; L426-M464 HydrophobicContact CG-CG 4.41Å
427S87.9Confident80.8Confident40 Ų4059.1 Ų59.128%0.2830%0.297SS..Hα-helixtrans-65.6-23.4179.3580000114S423 Q424 V425 K431S423-S427 VanDerWaalsContact O-CB 3.25Å; S423-S427 WeakPolarHBondContact O-CB 3.17Å; S423-S427 PolarHBondContact O-N 3.46Å; S423-S427 PolarHBondContact O-OG 3.29Å; Q424-S427 WeakPolarHBondContact CA-OG 3.36Å; Q424-S427 PolarHBondContact O-OG 2.79Å; V425-S427 PolarHBondContact O-N 3.17Å; S427-K431 WeakPolarHBondContact O-CD 3.36Å; S427-K431 WeakPolarHBondContact O-CG 3.43Å
428T86.5Confident78.1Confident62 Ų6264.6 Ų64.638%0.3833%0.332SS..Hα-helixtrans-77.5-44.4175.5-56.90000111Q424 V425 L426Q424-T428 WeakPolarHBondContact O-CB 3.31Å; Q424-T428 PolarHBondContact O-N 3.45Å; Q424-T428 VanDerWaalsContact O-N 3.09Å; Q424-T428 PolarHBondContact O-OG1 3.31Å; V425-T428 PolarHBondContact O-N 2.75Å; V425-T428 VanDerWaalsContact O-N 3.14Å; L426-T428 PolarHBondContact O-N 3.41Å
429Y86.1Confident75.4Confident73 Ų7370.8 Ų70.829%0.28637%0.365SS..Hα-helixtrans-81.2-34.7-178.4-69-72000113.2V425 L426 K431 N432 V456 A457 M460V425-Y429 HydrophobicContact CG1-CD2 3.83Å; V425-Y429 HydrophobicContact CG1-CE2 3.9Å; V425-Y429 WeakPolarHBondContact O-CD2 3.24Å; V425-Y429 PolarHBondContact O-N 2.89Å; V425-Y429 VanDerWaalsContact O-N 3.11Å; L426-Y429 PolarHBondContact O-N 2.98Å; Y429-K431 VanDerWaalsContact C-N 3.28Å; Y429-K431 PolarHBondContact O-N 3.09Å; Y429-N432 WeakPolarHBondContact O-CB 3.42Å; Y429-N432 PolarHBondContact O-N 3.37Å; Y429-V456 HydrophobicContact CE1-CG1 4.41Å; Y429-A457 HydrophobicContact CD1-CB 4.12Å; Y429-A457 WeakPolarHBondContact O-CB 3.34Å; Y429-M460 HydrophobicContact CD1-CB 4.28Å; Y429-M460 HydrophobicContact CD2-CB 4.12Å; Y429-M460 HydrophobicContact CD2-CG 3.61Å; Y429-M460 HydrophobicContact CE1-CB 4.37Å; Y429-M460 HydrophobicContact CE1-CG 4.43Å; Y429-M460 HydrophobicContact CE2-CB 4.27Å; Y429-M460 HydrophobicContact CE2-CG 3.53Å; Y429-M460 HydrophobicContact CG-CB 4.15Å; Y429-M460 HydrophobicContact CG-CG 4.15Å
430M83.4Confident73Confident102 Ų10281 Ų8150%0.50241%0.41SS..Hα-helixtrans-63.2-31.8179.1-74.8-179.17100113.2L426 N432 L433 I461L426-M430 HydrophobicContact CB-SD 4.41Å; L426-M430 WeakPolarHBondContact O-CB 3.49Å; L426-M430 WeakPolarHBondContact O-CG 3.26Å; L426-M430 PolarHBondContact O-N 2.94Å; M430-N432 PolarHBondContact O-N 3.1Å; M430-N432 VanDerWaalsContact O-N 3.15Å; M430-L433 WeakPolarHBondContact O-CB 3.42Å; M430-L433 PolarHBondContact O-N 2.98Å; M430-I461 HydrophobicContact CG-CD1 3.7Å
431K78.8Confident70.5Confident161 Ų16190.3 Ų90.370%0.745%0.45SS*.THydrogen-bonded Turntrans-60.1-24.6174-73.9175.3-176.2-1790113.1S427 Y429 L433S427-K431 WeakPolarHBondContact O-CD 3.36Å; S427-K431 WeakPolarHBondContact O-CG 3.43Å; Y429-K431 VanDerWaalsContact C-N 3.28Å; Y429-K431 PolarHBondContact O-N 3.09Å; K431-L433 VanDerWaalsContact C-N 3.33Å
432N75Confident67.8Low55 Ų5594.8 Ų94.829%0.29448%0.481SS..THydrogen-bonded Turntrans-81.8-14.1177.9-59-33.4000112.6Y429 M430 Y450 A457Y429-N432 WeakPolarHBondContact O-CB 3.42Å; Y429-N432 PolarHBondContact O-N 3.37Å; M430-N432 PolarHBondContact O-N 3.1Å; M430-N432 VanDerWaalsContact O-N 3.15Å; N432-Y450 PolarHBondContact O-OH 2.98Å; N432-A457 HydrophobicContact CB-CB 3.9Å
433L69.2Low65.1Low63 Ų63105.4 Ų105.433%0.3353%0.527SS..THydrogen-bonded Turntrans-87.4-24.2178.1-71.7167.9000113.4M430 K431 I435 N454 S458 I461M430-L433 WeakPolarHBondContact O-CB 3.42Å; M430-L433 PolarHBondContact O-N 2.98Å; K431-L433 VanDerWaalsContact C-N 3.33Å; L433-I435 VanDerWaalsContact C-N 3.33Å; L433-I435 PolarHBondContact O-N 3.5Å; L433-N454 WeakPolarHBondContact CD2-OD1 3.38Å; L433-S458 VanDerWaalsContact CD2-OG 3.31Å; L433-S458 WeakPolarHBondContact CD2-OG 3.19Å; L433-I461 HydrophobicContact CD1-CD1 3.26Å; L433-I461 HydrophobicContact CG-CD1 4.34Å
434D62.6Low62.3Low134 Ų134114 Ų11472%0.71756%0.564SS**  trans-73.482.2-176.6-81.9-26.2000111.8S436D434-S436 PolarHBondContact O-N 3.34Å
435I51.5Low59.9Low100 Ų100120.1 Ų120.151%0.51359%0.593SS.*  trans-79.3-1.2174.8-68.4164000112.3L433 R437 Y450L433-I435 VanDerWaalsContact C-N 3.33Å; L433-I435 PolarHBondContact O-N 3.5Å; I435-R437 PolarHBondContact O-N 3.26Å; I435-R437 VanDerWaalsContact O-N 3.14Å; I435-Y450 HydrophobicContact CD1-CE1 4.02Å; I435-Y450 HydrophobicContact CG1-CE1 3.85Å; I435-Y450 WeakPolarHBondContact CG1-OH 3.47Å
436S44.4Very low57.8Low111 Ų111128.7 Ų128.778%0.77663%0.631SS**  trans-94.267.9-172.8-72.80000114.1D434D434-S436 PolarHBondContact O-N 3.34Å
437R39.5Very low56.3Low221 Ų221131.1 Ų131.183%0.83465%0.645SS**  trans173.395.8138.1-95167.4-167.7-163.85109.1I435 D439I435-R437 PolarHBondContact O-N 3.26Å; I435-R437 VanDerWaalsContact O-N 3.14Å; R437-D439 VanDerWaalsContact C-N 3.3Å; R437-D439 PolarHBondContact O-N 3.24Å
438P39.3Very low54.8Low116 Ų116134.3 Ų134.375%0.75367%0.667SS**  trans-67102.1154.228.2-27.1000105.8K440P438-K440 PolarHBondContact O-N 3.37Å
439D39.4Very low54.1Low129 Ų129134.3 Ų134.369%0.6967%0.667SS**  trans-52.8119.8162.3-95.3-27.7000106.7R437 K441R437-D439 VanDerWaalsContact C-N 3.3Å; R437-D439 PolarHBondContact O-N 3.24Å; D439-K441 PolarHBondContact O-N 3.43Å
440K43Very low53Low215 Ų215134.9 Ų134.994%0.93567%0.669SS**THydrogen-bonded Turntrans-61.620.3-173.4-89-177.1172.5-179.80114.4P438P438-K440 PolarHBondContact O-N 3.37Å
441K42.4Very low52.5Low203 Ų203133.9 Ų133.988%0.88367%0.67SS**THydrogen-bonded Turntrans-131.11.5-173.1-74.9-170.8174.5-178.60116.8D439D439-K441 PolarHBondContact O-N 3.43Å
442S38.4Very low52.3Low93 Ų93131.2 Ų131.265%0.6566%0.663SS**  trans-123.777.8173.949.20000113.1K444S442-K444 PolarHBondContact O-N 3.33Å
443K34.5Very low52.4Low223 Ų223132.6 Ų132.697%0.9767%0.666SS**  trans-71.446.8162.2-94.6-171.9174.6-177.10112.2
444K36.1Very low53Low188 Ų188131.2 Ų131.282%0.81766%0.659SS**SBendtrans-132.5113.8175.2-82.4-173.1174.6-178.90110.9S442S442-K444 PolarHBondContact O-N 3.33Å
445Q40Very low53.9Low185 Ų185131.3 Ų131.386%0.86466%0.655SS**  trans62.486.4170-73168.4-24.300116.1D447Q445-D447 PolarHBondContact O-N 3.13Å; Q445-D447 VanDerWaalsContact O-N 3.12Å
446Q46.6Very low55.6Low194 Ų194130.4 Ų130.491%0.90765%0.654SS**  trans-66.5102.8156.6-161.8171.29.100107S448Q446-S448 PolarHBondContact O-N 3.09Å; Q446-S448 VanDerWaalsContact O-N 3.11Å
447D57.3Low57.5Low85 Ų85125.1 Ų125.146%0.45562%0.617SS.*  trans-49.3114.9177.4-121.714.7000109Q445 T449 Y450 K453Q445-D447 PolarHBondContact O-N 3.13Å; Q445-D447 VanDerWaalsContact O-N 3.12Å; D447-T449 PolarHBondContact O-N 2.64Å; D447-T449 VanDerWaalsContact O-N 3.07Å; D447-Y450 WeakPolarHBondContact O-CB 3.26Å; D447-Y450 PolarHBondContact O-N 3.18Å; D447-K453 IonicContact OD2-NZ 3.62Å; D447-K453 PolarHBondContact OD2-NZ 3.24Å
448S57.7Low59.7Low108 Ų108116.7 Ų116.776%0.75559%0.592SS**THydrogen-bonded Turntrans-61.7-20.7-17867.20000112.6Q446 Y450 P451Q446-S448 PolarHBondContact O-N 3.09Å; Q446-S448 VanDerWaalsContact O-N 3.11Å; S448-Y450 VanDerWaalsContact C-N 3.31Å; S448-P451 WeakPolarHBondContact O-CD 3.45Å
449T70.1Confident62.1Low61 Ų61112.9 Ų112.937%0.37457%0.574SS.*THydrogen-bonded Turntrans-81.1-6175.7-33.10000113D447 I452 K453D447-T449 PolarHBondContact O-N 2.64Å; D447-T449 VanDerWaalsContact O-N 3.07Å; T449-I452 HydrophobicContact CG2-CB 4.3Å; T449-I452 PolarHBondContact O-N 3.14Å; T449-K453 HydrophobicContact CG2-CG 4.22Å; T449-K453 WeakPolarHBondContact O-CG 3.22Å; T449-K453 PolarHBondContact O-N 3.24Å
450Y64.1Low64.4Low86 Ų86109.6 Ų109.634%0.33756%0.555SS.*Hα-helixtrans-56.9-46.5-178.3-166.6-96.2000114.9N432 I435 D447 S448 I452 K453 N454N432-Y450 PolarHBondContact O-OH 2.98Å; I435-Y450 HydrophobicContact CD1-CE1 4.02Å; I435-Y450 HydrophobicContact CG1-CE1 3.85Å; I435-Y450 WeakPolarHBondContact CG1-OH 3.47Å; D447-Y450 WeakPolarHBondContact O-CB 3.26Å; D447-Y450 PolarHBondContact O-N 3.18Å; S448-Y450 VanDerWaalsContact C-N 3.31Å; Y450-I452 VanDerWaalsContact C-N 3.3Å; Y450-I452 PolarHBondContact O-N 3.28Å; Y450-K453 PolarHBondContact O-N 3.19Å; Y450-N454 WeakPolarHBondContact O-CB 3.18Å; Y450-N454 PolarHBondContact O-N 2.94Å
451P72.3Confident66.6Low80 Ų80101.3 Ų101.352%0.51952%0.52SS..Hα-helixtrans-60.5-40.9175.422.3-33000111.8S448 K453 N454 E455S448-P451 WeakPolarHBondContact O-CD 3.45Å; P451-K453 PolarHBondContact O-N 2.99Å; P451-N454 PolarHBondContact O-N 2.66Å; P451-E455 WeakPolarHBondContact O-CG 3.36Å; P451-E455 PolarHBondContact O-N 2.81Å
452I75.3Confident68.8Low106 Ų10697.5 Ų97.554%0.54451%0.509SS..Hα-helixtrans-64.1-43.6177.2-59.4172.4000110.6T449 Y450 N454 E455 V456T449-I452 HydrophobicContact CG2-CB 4.3Å; T449-I452 PolarHBondContact O-N 3.14Å; Y450-I452 VanDerWaalsContact C-N 3.3Å; Y450-I452 PolarHBondContact O-N 3.28Å; I452-N454 VanDerWaalsContact C-N 3.3Å; I452-N454 PolarHBondContact O-N 2.75Å; I452-E455 PolarHBondContact O-N 2.63Å; I452-V456 HydrophobicContact CG2-CG2 4.25Å; I452-V456 WeakPolarHBondContact O-CB 3.39Å; I452-V456 WeakPolarHBondContact O-CG2 3.44Å; I452-V456 PolarHBondContact O-N 3.49Å
453K77.6Confident71.4Confident84 Ų8496.1 Ų96.137%0.36550%0.496SS..Hα-helixtrans-62-38176.8-72.8173.2-178.7175.90111.8D447 T449 Y450 P451 A457D447-K453 IonicContact OD2-NZ 3.62Å; D447-K453 PolarHBondContact OD2-NZ 3.24Å; T449-K453 HydrophobicContact CG2-CG 4.22Å; T449-K453 WeakPolarHBondContact O-CG 3.22Å; T449-K453 PolarHBondContact O-N 3.24Å; Y450-K453 PolarHBondContact O-N 3.19Å; P451-K453 PolarHBondContact O-N 2.99Å; K453-A457 WeakPolarHBondContact O-CB 3.41Å; K453-A457 PolarHBondContact O-N 3.37Å
454N80.3Confident74.1Confident34 Ų3485.7 Ų85.718%0.18245%0.451CS..Hα-helixtrans-70.5-43.7177.8-171.540.9000112.4L433 Y450 P451 I452 A457 S458L433-N454 WeakPolarHBondContact CD2-OD1 3.38Å; Y450-N454 WeakPolarHBondContact O-CB 3.18Å; Y450-N454 PolarHBondContact O-N 2.94Å; P451-N454 PolarHBondContact O-N 2.66Å; I452-N454 VanDerWaalsContact C-N 3.3Å; I452-N454 PolarHBondContact O-N 2.75Å; N454-A457 PolarHBondContact O-N 2.98Å; N454-S458 WeakPolarHBondContact O-CB 3.46Å; N454-S458 PolarHBondContact O-N 3.15Å; N454-S458 PolarHBondContact O-OG 2.75Å
455E83Confident76.7Confident135 Ų13578.8 Ų78.863%0.63143%0.43SS*.Hα-helixtrans-62.2-45.7174.7-71.8-62.5153.700111.3P451 I452 A457 S458 G459P451-E455 WeakPolarHBondContact O-CG 3.36Å; P451-E455 PolarHBondContact O-N 2.81Å; I452-E455 PolarHBondContact O-N 2.63Å; E455-A457 PolarHBondContact O-N 3Å; E455-S458 PolarHBondContact O-N 3.17Å; E455-G459 PolarHBondContact O-N 3.39Å
456V86.1Confident79.2Confident81 Ų8175.9 Ų75.949%0.49141%0.414SS..Hα-helixtrans-63.4-42176.61720000111.3Y429 I452 G459 M460Y429-V456 HydrophobicContact CE1-CG1 4.41Å; I452-V456 HydrophobicContact CG2-CG2 4.25Å; I452-V456 WeakPolarHBondContact O-CB 3.39Å; I452-V456 WeakPolarHBondContact O-CG2 3.44Å; I452-V456 PolarHBondContact O-N 3.49Å; V456-G459 PolarHBondContact O-N 3.21Å; V456-M460 WeakPolarHBondContact O-CB 3.49Å; V456-M460 PolarHBondContact O-N 3.45Å
457A85.7Confident81.4Confident0 Ų071.1 Ų71.10%039%0.391CS..Hα-helixtrans-63.7-45.4176.900000112.2Y429 N432 K453 N454 E455 M460 I461Y429-A457 HydrophobicContact CD1-CB 4.12Å; Y429-A457 WeakPolarHBondContact O-CB 3.34Å; N432-A457 HydrophobicContact CB-CB 3.9Å; K453-A457 WeakPolarHBondContact O-CB 3.41Å; K453-A457 PolarHBondContact O-N 3.37Å; N454-A457 PolarHBondContact O-N 2.98Å; E455-A457 PolarHBondContact O-N 3Å; A457-M460 PolarHBondContact O-N 2.9Å; A457-I461 WeakPolarHBondContact O-CD1 3.44Å; A457-I461 WeakPolarHBondContact O-CG1 3.43Å; A457-I461 PolarHBondContact O-N 3.39Å
458S84.6Confident83.1Confident45 Ų4569 Ų6932%0.31538%0.379SS..Hα-helixtrans-59.9-46.9175.6-59.40000111.1L433 N454 E455 M460 I461 L462L433-S458 VanDerWaalsContact CD2-OG 3.31Å; L433-S458 WeakPolarHBondContact CD2-OG 3.19Å; N454-S458 WeakPolarHBondContact O-CB 3.46Å; N454-S458 PolarHBondContact O-N 3.15Å; N454-S458 PolarHBondContact O-OG 2.75Å; E455-S458 PolarHBondContact O-N 3.17Å; S458-M460 PolarHBondContact O-N 3.34Å; S458-I461 PolarHBondContact O-N 3.41Å; S458-L462 WeakPolarHBondContact O-CB 3.31Å; S458-L462 PolarHBondContact O-N 2.89Å
459G89Confident84.9Confident35 Ų3568.3 Ų68.336%0.36137%0.366SS..Hα-helixtrans-59.8-46.2176.800000112.6E455 V456 I461 L462 V463E455-G459 PolarHBondContact O-N 3.39Å; V456-G459 PolarHBondContact O-N 3.21Å; G459-I461 PolarHBondContact O-N 3Å; G459-L462 PolarHBondContact O-N 3.15Å; G459-V463 VanDerWaalsContact O-CG2 3.27Å; G459-V463 WeakPolarHBondContact O-CG2 3.19Å; G459-V463 PolarHBondContact O-N 3.27Å
460M88.4Confident86Confident60 Ų6067.8 Ų67.830%0.29636%0.363SS..Hα-helixtrans-65.7-37.8179.6-171.862.2-174.600112.6V425 Y429 V456 A457 S458 V463 M464V425-M460 HydrophobicContact CG1-CE 3.64Å; V425-M460 HydrophobicContact CG1-CG 4.25Å; Y429-M460 HydrophobicContact CD1-CB 4.28Å; Y429-M460 HydrophobicContact CD2-CB 4.12Å; Y429-M460 HydrophobicContact CD2-CG 3.61Å; Y429-M460 HydrophobicContact CE1-CB 4.37Å; Y429-M460 HydrophobicContact CE1-CG 4.43Å; Y429-M460 HydrophobicContact CE2-CB 4.27Å; Y429-M460 HydrophobicContact CE2-CG 3.53Å; Y429-M460 HydrophobicContact CG-CB 4.15Å; Y429-M460 HydrophobicContact CG-CG 4.15Å; V456-M460 WeakPolarHBondContact O-CB 3.49Å; V456-M460 PolarHBondContact O-N 3.45Å; A457-M460 PolarHBondContact O-N 2.9Å; S458-M460 PolarHBondContact O-N 3.34Å; M460-V463 PolarHBondContact O-N 2.87Å; M460-M464 HydrophobicContact CE-CE 4.36Å; M460-M464 WeakPolarHBondContact O-CB 3.43Å; M460-M464 PolarHBondContact O-N 3.46Å
461I88.6Confident87.4Confident41 Ų4163.9 Ų63.921%0.2135%0.347CS..Hα-helixtrans-67.5-40.7176.1-71.2162.4000110.7L426 M430 L433 A457 S458 G459 M464 A465L426-I461 HydrophobicContact CD2-CG1 4.14Å; M430-I461 HydrophobicContact CG-CD1 3.7Å; L433-I461 HydrophobicContact CD1-CD1 3.26Å; L433-I461 HydrophobicContact CG-CD1 4.34Å; A457-I461 WeakPolarHBondContact O-CD1 3.44Å; A457-I461 WeakPolarHBondContact O-CG1 3.43Å; A457-I461 PolarHBondContact O-N 3.39Å; S458-I461 PolarHBondContact O-N 3.41Å; G459-I461 PolarHBondContact O-N 3Å; I461-M464 PolarHBondContact O-N 3.27Å; I461-A465 WeakPolarHBondContact O-CB 3.41Å; I461-A465 PolarHBondContact O-N 3.33Å
462L90.1Very high88.4Confident124 Ų12463.1 Ų63.165%0.64934%0.341SS*.Hα-helixtrans-63-44.4175.5-168.9157.5000111.2S458 G459 M464 A465 F466S458-L462 WeakPolarHBondContact O-CB 3.31Å; S458-L462 PolarHBondContact O-N 2.89Å; G459-L462 PolarHBondContact O-N 3.15Å; L462-M464 PolarHBondContact O-N 3.29Å; L462-A465 PolarHBondContact O-N 3.05Å; L462-F466 WeakPolarHBondContact O-CB 3.38Å; L462-F466 PolarHBondContact O-N 3.3Å
463V91.8Very high89.3Confident63 Ų6365.2 Ų65.238%0.38235%0.347SS..Hα-helixtrans-61.1-44.6175.7169.10000111.2G459 M460 F466 F467G459-V463 VanDerWaalsContact O-CG2 3.27Å; G459-V463 WeakPolarHBondContact O-CG2 3.19Å; G459-V463 PolarHBondContact O-N 3.27Å; M460-V463 PolarHBondContact O-N 2.87Å; V463-F466 WeakPolarHBondContact O-CB 3.45Å; V463-F466 PolarHBondContact O-N 3.26Å; V463-F467 HydrophobicContact CG1-CD2 3.71Å; V463-F467 HydrophobicContact CG1-CE2 3.32Å; V463-F467 HydrophobicContact CG1-CZ 4.27Å; V463-F467 WeakPolarHBondContact O-CD2 3.2Å; V463-F467 PolarHBondContact O-N 3.31Å
464M91.1Very high90.2Very high4 Ų462.5 Ų62.52%0.0234%0.335CS..Hα-helixtrans-64.2-41.7176.8-172.458.767.500111.8M370 V422 V425 L426 M460 I461 L462 F467 L468M370-M464 HydrophobicContact SD-CE 4.15Å; V422-M464 HydrophobicContact CB-SD 4.44Å; V422-M464 HydrophobicContact CG1-CG 3.96Å; V422-M464 HydrophobicContact CG1-SD 3.84Å; V422-M464 HydrophobicContact CG2-CE 4.35Å; V422-M464 HydrophobicContact CG2-SD 3.88Å; V425-M464 HydrophobicContact CB-CE 4.38Å; V425-M464 HydrophobicContact CG1-CE 3.94Å; L426-M464 HydrophobicContact CD2-CB 4.28Å; L426-M464 HydrophobicContact CD2-CG 4.05Å; L426-M464 HydrophobicContact CG-CG 4.41Å; M460-M464 HydrophobicContact CE-CE 4.36Å; M460-M464 WeakPolarHBondContact O-CB 3.43Å; M460-M464 PolarHBondContact O-N 3.46Å; I461-M464 PolarHBondContact O-N 3.27Å; L462-M464 PolarHBondContact O-N 3.29Å; M464-F467 PolarHBondContact O-N 3Å; M464-L468 HydrophobicContact CG-CD1 4.37Å; M464-L468 WeakPolarHBondContact O-CG 3.3Å; M464-L468 PolarHBondContact O-N 3.22Å
465A90.9Very high90.9Very high44 Ų4461 Ų6136%0.36433%0.327SS..Hα-helixtrans-62.6-42.4175.300000111.6I461 L462 F467 L468 I469I461-A465 WeakPolarHBondContact O-CB 3.41Å; I461-A465 PolarHBondContact O-N 3.33Å; L462-A465 PolarHBondContact O-N 3.05Å; A465-F467 PolarHBondContact O-N 3.13Å; A465-L468 PolarHBondContact O-N 3.49Å; A465-I469 VanDerWaalsContact O-CG1 3.26Å; A465-I469 WeakPolarHBondContact O-CG1 3.36Å; A465-I469 PolarHBondContact O-N 3.14Å
466F93.6Very high91.4Very high123 Ų12356.9 Ų56.954%0.53931%0.312SS..Hα-helixtrans-57.9-48.7174.4176.9-97.9000111.4L462 V463 L468 I469 T470L462-F466 WeakPolarHBondContact O-CB 3.38Å; L462-F466 PolarHBondContact O-N 3.3Å; V463-F466 WeakPolarHBondContact O-CB 3.45Å; V463-F466 PolarHBondContact O-N 3.26Å; F466-L468 VanDerWaalsContact C-N 3.34Å; F466-L468 PolarHBondContact O-N 2.87Å; F466-I469 WeakPolarHBondContact O-CB 3.3Å; F466-I469 PolarHBondContact O-N 3.27Å; F466-T470 PolarHBondContact O-N 2.97Å; F466-T470 PolarHBondContact O-OG1 2.91Å; F466-T470 VanDerWaalsContact O-OG1 3.09Å
467F93.2Very high91.8Very high95 Ų9560 Ų6042%0.41731%0.314SS..Hα-helixtrans-62.1-38.4177.5-74.4-52.1000113.4L366 V463 M464 A465 I469 T470 Y471L366-F467 HydrophobicContact CD1-CB 3.97Å; L366-F467 HydrophobicContact CD1-CG 4.25Å; L366-F467 HydrophobicContact CD2-CB 3.99Å; V463-F467 HydrophobicContact CG1-CD2 3.71Å; V463-F467 HydrophobicContact CG1-CE2 3.32Å; V463-F467 HydrophobicContact CG1-CZ 4.27Å; V463-F467 WeakPolarHBondContact O-CD2 3.2Å; V463-F467 PolarHBondContact O-N 3.31Å; M464-F467 PolarHBondContact O-N 3Å; A465-F467 PolarHBondContact O-N 3.13Å; F467-I469 VanDerWaalsContact C-N 3.35Å; F467-T470 PolarHBondContact O-N 2.73Å; F467-Y471 VanDerWaalsContact O-CB 3.31Å; F467-Y471 WeakPolarHBondContact O-CB 3.45Å; F467-Y471 PolarHBondContact O-N 2.86Å
468L93.1Very high92.2Very high41 Ų4160 Ų6022%0.21532%0.315CS..Hα-helixtrans-67.3-35.4175.7-69.4171.9000112.4M150 L366 M464 A465 F466 Y471 T472M150-L468 HydrophobicContact CE-CD2 3.83Å; L366-L468 HydrophobicContact CD2-CD2 4Å; M464-L468 HydrophobicContact CG-CD1 4.37Å; M464-L468 WeakPolarHBondContact O-CG 3.3Å; M464-L468 PolarHBondContact O-N 3.22Å; A465-L468 PolarHBondContact O-N 3.49Å; F466-L468 VanDerWaalsContact C-N 3.34Å; F466-L468 PolarHBondContact O-N 2.87Å; L468-Y471 PolarHBondContact O-N 2.99Å; L468-T472 PolarHBondContact O-N 2.83Å; L468-T472 VanDerWaalsContact O-N 3.09Å; L468-T472 PolarHBondContact O-OG1 3.48Å
469I93.7Very high92.6Very high93 Ų9358 Ų5848%0.47730%0.3SS..Hα-helixtrans-65.9-50.7173.8-69.5165.3000109.9A465 F466 F467 Y471 T472 F473A465-I469 VanDerWaalsContact O-CG1 3.26Å; A465-I469 WeakPolarHBondContact O-CG1 3.36Å; A465-I469 PolarHBondContact O-N 3.14Å; F466-I469 WeakPolarHBondContact O-CB 3.3Å; F466-I469 PolarHBondContact O-N 3.27Å; F467-I469 VanDerWaalsContact C-N 3.35Å; I469-Y471 PolarHBondContact O-N 3.19Å; I469-T472 PolarHBondContact O-N 2.98Å; I469-T472 VanDerWaalsContact O-N 3.08Å; I469-F473 HydrophobicContact CG2-CD2 3.65Å; I469-F473 HydrophobicContact CG2-CE2 3.44Å; I469-F473 VanDerWaalsContact CG2-CE2 3.44Å; I469-F473 VanDerWaalsContact O-CD2 3.27Å; I469-F473 WeakPolarHBondContact O-CD2 3.34Å; I469-F473 PolarHBondContact O-N 3.41Å
470T93.7Very high92.6Very high49 Ų4957.1 Ų57.130%0.30129%0.289SS..Hα-helixtrans-58.7-37.5175.9-52.60000111.7F466 F467 T472 F473 H474F466-T470 PolarHBondContact O-N 2.97Å; F466-T470 PolarHBondContact O-OG1 2.91Å; F466-T470 VanDerWaalsContact O-OG1 3.09Å; F467-T470 PolarHBondContact O-N 2.73Å; T470-T472 VanDerWaalsContact C-N 3.34Å; T470-T472 PolarHBondContact O-N 2.91Å; T470-F473 PolarHBondContact O-N 3.39Å; T470-H474 WeakPolarHBondContact O-CB 3.36Å; T470-H474 PolarHBondContact O-N 2.8Å
471Y94.3Very high92.6Very high5 Ų558 Ų582%0.0229%0.292CS..Hα-helixtrans-59.3-45.2174.6174.1-104.9000112.1M150 V153 V154 Q365 L366 L367 F467 L468 I469 S475M150-Y471 HydrophobicContact CG-CE1 4.46Å; M150-Y471 PolarHBondContact O-OH 3.5Å; M150-Y471 VanDerWaalsContact O-OH 3.07Å; V153-Y471 HydrophobicContact CG2-CD1 4.29Å; V153-Y471 HydrophobicContact CG2-CE1 3.53Å; V154-Y471 WeakPolarHBondContact CA-OH 3.13Å; V154-Y471 WeakPolarHBondContact CB-OH 3.06Å; Q365-Y471 HydrophobicContact CB-CD2 4.37Å; Q365-Y471 VanDerWaalsContact OE1-CA 3.26Å; L366-Y471 HydrophobicContact CB-CD2 4.18Å; L367-Y471 HydrophobicContact CD1-CE2 4.22Å; L367-Y471 HydrophobicContact CG-CE2 4.09Å; F467-Y471 VanDerWaalsContact O-CB 3.31Å; F467-Y471 WeakPolarHBondContact O-CB 3.45Å; F467-Y471 PolarHBondContact O-N 2.86Å; L468-Y471 PolarHBondContact O-N 2.99Å; I469-Y471 PolarHBondContact O-N 3.19Å; Y471-S475 VanDerWaalsContact O-CB 3.22Å; Y471-S475 WeakPolarHBondContact O-CB 3.49Å; Y471-S475 PolarHBondContact O-N 3.26Å; Y471-S475 PolarHBondContact O-OG 3.15Å
472T93.4Very high92.6Very high63 Ų6358.2 Ų58.239%0.38730%0.3SS..Hα-helixtrans-66.4-41.7-180-53.70000111.5L468 I469 T470 T476L468-T472 PolarHBondContact O-N 2.83Å; L468-T472 VanDerWaalsContact O-N 3.09Å; L468-T472 PolarHBondContact O-OG1 3.48Å; I469-T472 PolarHBondContact O-N 2.98Å; I469-T472 VanDerWaalsContact O-N 3.08Å; T470-T472 VanDerWaalsContact C-N 3.34Å; T470-T472 PolarHBondContact O-N 2.91Å; T472-T476 WeakPolarHBondContact O-CB 3.39Å; T472-T476 PolarHBondContact O-N 3Å; T472-T476 PolarHBondContact O-OG1 3.18Å
473F94.5Very high92.6Very high151 Ų15155.2 Ų55.266%0.66228%0.281SS*.Hα-helixtrans-63.6-48.5176.4-81.4-67.3000112.5I469 T470 S475 T476 W477I469-F473 HydrophobicContact CG2-CD2 3.65Å; I469-F473 HydrophobicContact CG2-CE2 3.44Å; I469-F473 VanDerWaalsContact CG2-CE2 3.44Å; I469-F473 VanDerWaalsContact O-CD2 3.27Å; I469-F473 WeakPolarHBondContact O-CD2 3.34Å; I469-F473 PolarHBondContact O-N 3.41Å; T470-F473 PolarHBondContact O-N 3.39Å; F473-S475 PolarHBondContact O-N 3.49Å; F473-T476 PolarHBondContact O-N 3.18Å; F473-W477 WeakPolarHBondContact O-CB 3.48Å; F473-W477 PolarHBondContact O-N 3.17Å
474H95.5Very high92.3Very high27 Ų2752.2 Ų52.213%0.12526%0.263CS..Hα-helixtrans-59.5-47.3176.1174.679.6000111.5F362 Q365 T470 T476 W477 V478F362-H474 PolarHBondContact O-NE2 2.98Å; Q365-H474 VanDerWaalsContact CD-CB 3.47Å; Q365-H474 VanDerWaalsContact CD-CG 3.43Å; Q365-H474 PolarHBondContact OE1-CD2 3.48Å; T470-H474 WeakPolarHBondContact O-CB 3.36Å; T470-H474 PolarHBondContact O-N 2.8Å; H474-T476 VanDerWaalsContact C-N 3.29Å; H474-T476 PolarHBondContact O-N 3.08Å; H474-W477 PolarHBondContact O-N 3.24Å; H474-W477 VanDerWaalsContact O-N 3.16Å; H474-V478 VanDerWaalsContact CE1-CG2 3.41Å; H474-V478 WeakPolarHBondContact CE1-CG2 3.31Å; H474-V478 WeakPolarHBondContact NE2-CG2 3.23Å; H474-V478 WeakPolarHBondContact O-CB 2.87Å; H474-V478 WeakPolarHBondContact O-CG2 3.28Å; H474-V478 PolarHBondContact O-N 3.28Å
475S94.1Very high91.9Very high1 Ų154.9 Ų54.91%0.00728%0.282CS..Hα-helixtrans-59.3-42.3-179.6-630000112.1V153 Y471 F473 T479V153-S475 VanDerWaalsContact O-CB 3.27Å; V153-S475 WeakPolarHBondContact O-CB 3.27Å; Y471-S475 VanDerWaalsContact O-CB 3.22Å; Y471-S475 WeakPolarHBondContact O-CB 3.49Å; Y471-S475 PolarHBondContact O-N 3.26Å; Y471-S475 PolarHBondContact O-OG 3.15Å; F473-S475 PolarHBondContact O-N 3.49Å; S475-T479 VanDerWaalsContact O-CB 3.31Å; S475-T479 WeakPolarHBondContact O-CB 3.37Å; S475-T479 PolarHBondContact O-N 2.73Å; S475-T479 PolarHBondContact O-OG1 3.4Å
476T93.6Very high91.5Very high50 Ų5053.2 Ų53.231%0.30727%0.267SS..Hα-helixtrans-68.2-42.5177.1-53.90000111.2F36 T472 F473 H474 T479 S480F36-T476 HydrophobicContact CE2-CG2 4.43Å; F36-T476 HydrophobicContact CZ-CG2 4.12Å; T472-T476 WeakPolarHBondContact O-CB 3.39Å; T472-T476 PolarHBondContact O-N 3Å; T472-T476 PolarHBondContact O-OG1 3.18Å; F473-T476 PolarHBondContact O-N 3.18Å; H474-T476 VanDerWaalsContact C-N 3.29Å; H474-T476 PolarHBondContact O-N 3.08Å; T476-T479 PolarHBondContact O-N 2.66Å; T476-S480 WeakPolarHBondContact O-CB 3.37Å; T476-S480 PolarHBondContact O-N 2.99Å
477W94.6Very high90.9Very high146 Ų14648.4 Ų48.455%0.55325%0.249SC*.Hα-helixtrans-63.9-49.4178.4173.372.1000112.3F362 F473 H474 T479 S480 E481F362-W477 HydrophobicContact CE2-CH2 4.42Å; F362-W477 HydrophobicContact CE2-CZ3 4.01Å; F473-W477 WeakPolarHBondContact O-CB 3.48Å; F473-W477 PolarHBondContact O-N 3.17Å; H474-W477 PolarHBondContact O-N 3.24Å; H474-W477 VanDerWaalsContact O-N 3.16Å; W477-T479 VanDerWaalsContact C-N 3.32Å; W477-T479 PolarHBondContact O-N 3.18Å; W477-S480 PolarHBondContact O-N 3.09Å; W477-E481 PolarHBondContact O-N 2.97Å
478V94.7Very high90.4Very high1 Ų144 Ų441%0.00623%0.229CC..Hα-helixtrans-58.8-45.9176.9170.70000110.7P155 F362 H474 S480 A482 Y483P155-V478 HydrophobicContact CB-CB 4.33Å; P155-V478 HydrophobicContact CB-CG1 3.75Å; P155-V478 HydrophobicContact CG-CB 4.2Å; P155-V478 HydrophobicContact CG-CG1 4.15Å; F362-V478 HydrophobicContact CD1-CG1 4.09Å; F362-V478 HydrophobicContact CD2-CG2 4.23Å; F362-V478 HydrophobicContact CE1-CB 4.45Å; F362-V478 HydrophobicContact CE1-CG1 3.42Å; F362-V478 VanDerWaalsContact CE1-CG1 3.42Å; F362-V478 HydrophobicContact CE1-CG2 4.26Å; F362-V478 HydrophobicContact CE2-CG1 4.39Å; F362-V478 HydrophobicContact CE2-CG2 3.77Å; F362-V478 HydrophobicContact CZ-CB 4.21Å; F362-V478 HydrophobicContact CZ-CG1 3.6Å; F362-V478 HydrophobicContact CZ-CG2 3.78Å; H474-V478 VanDerWaalsContact CE1-CG2 3.41Å; H474-V478 WeakPolarHBondContact CE1-CG2 3.31Å; H474-V478 WeakPolarHBondContact NE2-CG2 3.23Å; H474-V478 WeakPolarHBondContact O-CB 2.87Å; H474-V478 WeakPolarHBondContact O-CG2 3.28Å; H474-V478 PolarHBondContact O-N 3.28Å; V478-S480 VanDerWaalsContact C-N 3.34Å; V478-S480 PolarHBondContact O-N 2.79Å; V478-A482 HydrophobicContact CG1-CB 4.38Å; V478-A482 WeakPolarHBondContact O-CB 3.41Å; V478-A482 PolarHBondContact O-N 3.31Å; V478-Y483 HydrophobicContact CG1-CD2 3.81Å; V478-Y483 HydrophobicContact CG1-CE2 3.51Å; V478-Y483 PolarHBondContact O-N 2.64Å
479T92.9Very high89.9Confident1 Ų142.4 Ų42.41%0.00622%0.222CC..Iπ-helixtrans-60-46.2177.8-60.10000111.5T33 F36 I158 S475 T476 W477 S484T33-T479 VanDerWaalsContact O-CG2 3.24Å; T33-T479 WeakPolarHBondContact O-CG2 3.1Å; F36-T479 HydrophobicContact CD2-CG2 3.92Å; F36-T479 HydrophobicContact CE2-CG2 4.3Å; I158-T479 HydrophobicContact CD1-CG2 4.42Å; I158-T479 WeakPolarHBondContact CD1-OG1 3.2Å; I158-T479 HydrophobicContact CG2-CG2 3.59Å; S475-T479 VanDerWaalsContact O-CB 3.31Å; S475-T479 WeakPolarHBondContact O-CB 3.37Å; S475-T479 PolarHBondContact O-N 2.73Å; S475-T479 PolarHBondContact O-OG1 3.4Å; T476-T479 PolarHBondContact O-N 2.66Å; W477-T479 VanDerWaalsContact C-N 3.32Å; W477-T479 PolarHBondContact O-N 3.18Å; T479-S484 VanDerWaalsContact O-CB 3.25Å; T479-S484 WeakPolarHBondContact O-CB 3.45Å; T479-S484 PolarHBondContact O-N 3.08Å; T479-S484 VanDerWaalsContact O-N 3.17Å; T479-S484 PolarHBondContact O-OG 3.48Å
480S89.8Confident89.5Confident18 Ų1839.6 Ų39.613%0.12621%0.207CC..Iπ-helixtrans-65.4-42.7-177.71710000113.2R40 T476 W477 V478R40-S480 PolarHBondContact NH1-O 3.34Å; R40-S480 PolarHBondContact NH2-O 2.8Å; R40-S480 PolarHBondContact NH2-OG 3.22Å; T476-S480 WeakPolarHBondContact O-CB 3.37Å; T476-S480 PolarHBondContact O-N 2.99Å; W477-S480 PolarHBondContact O-N 3.09Å; V478-S480 VanDerWaalsContact C-N 3.34Å; V478-S480 PolarHBondContact O-N 2.79Å
481E88.4Confident88.9Confident77 Ų7740.1 Ų40.136%0.3621%0.213SC..Iπ-helixtrans-97.6-36.5-172.6-65.4-56.9105.600114R40 W477 R493R40-E481 IonicContact CZ-OE1 2.8Å; R40-E481 IonicContact NH1-OE1 2.67Å; R40-E481 IonicContact NH2-OE1 3.11Å; R40-E481 PolarHBondContact NH2-OE1 2.88Å; W477-E481 PolarHBondContact O-N 2.97Å; E481-R493 IonicContact OE2-NH2 3.76Å; E481-R493 PolarHBondContact OE2-NH2 3.04Å
482A88.6Confident88.3Confident47 Ų4741.7 Ų41.739%0.38823%0.227SC..Iπ-helixtrans-95.7-48.2-172.700000113.3F362 V478F362-A482 HydrophobicContact CE1-CB 4Å; F362-A482 HydrophobicContact CZ-CB 3.81Å; V478-A482 HydrophobicContact CG1-CB 4.38Å; V478-A482 WeakPolarHBondContact O-CB 3.41Å; V478-A482 PolarHBondContact O-N 3.31Å
483Y89.4Confident87.6Confident60 Ų6046.9 Ų46.924%0.23524%0.24CC..Iπ-helixtrans-96.6-12.4-171.2-62.8-57.6000114.9P155 S159 F362 D363 V478 S485P155-Y483 HydrophobicContact CB-CE2 3.96Å; S159-Y483 VanDerWaalsContact CB-CE1 3.43Å; F362-Y483 HydrophobicContact CE1-CE2 4.42Å; D363-Y483 PolarHBondContact OD1-OH 3.25Å; V478-Y483 HydrophobicContact CG1-CD2 3.81Å; V478-Y483 HydrophobicContact CG1-CE2 3.51Å; V478-Y483 PolarHBondContact O-N 2.64Å; Y483-S485 VanDerWaalsContact C-N 3.34Å; Y483-S485 PolarHBondContact O-N 3.17Å
484S86.1Confident86.8Confident0 Ų040.6 Ų40.60%022%0.217CC..SBendtrans-97.238.9-176.5-60.20000113.7F36 T479F36-S484 WeakPolarHBondContact CB-OG 3.28Å; T479-S484 VanDerWaalsContact O-CB 3.25Å; T479-S484 WeakPolarHBondContact O-CB 3.45Å; T479-S484 PolarHBondContact O-N 3.08Å; T479-S484 VanDerWaalsContact O-N 3.17Å; T479-S484 PolarHBondContact O-OG 3.48Å
485S81.2Confident86.1Confident60 Ų6044 Ų4442%0.4226%0.259SS..  trans-117.8119.2-178.5-64.90000110.2Y483Y483-S485 VanDerWaalsContact C-N 3.34Å; Y483-S485 PolarHBondContact O-N 3.17Å
486P83Confident85.7Confident9 Ų950.1 Ų50.16%0.05829%0.292CS..  trans-69.9146.5178.626.8-31.6000111.6F41 H46 V489F41-P486 HydrophobicContact CB-CG 4.43Å; F41-P486 HydrophobicContact CD1-CG 4.02Å; F41-P486 VanDerWaalsContact CD2-CD 3.44Å; F41-P486 HydrophobicContact CD2-CG 3.64Å; F41-P486 HydrophobicContact CE1-CG 4.12Å; F41-P486 HydrophobicContact CE2-CG 3.77Å; F41-P486 HydrophobicContact CG-CG 3.78Å; F41-P486 HydrophobicContact CZ-CG 4Å; H46-P486 WeakPolarHBondContact ND1-CB 3.33Å; P486-V489 HydrophobicContact CG-CB 4.24Å; P486-V489 WeakPolarHBondContact CG-O 3.35Å
487S81.2Confident85.2Confident22 Ų2250.1 Ų50.115%0.15430%0.302CS..SBendtrans-84.2-20.9177.858.30000114.2E47E47-S487 VanDerWaalsContact CA-OG 3.32Å; E47-S487 WeakPolarHBondContact CA-OG 3.43Å; E47-S487 PolarHBondContact N-OG 3.39Å
488I82.4Confident84.8Confident2 Ų245.6 Ų45.61%0.0129%0.293CS..SBendtrans-84.9-42.7-178-59.2107.8000111.6I45 Y51 F505 R506 M535I45-I488 WeakPolarHBondContact O-CD1 3.43Å; Y51-I488 HydrophobicContact CE2-CD1 3.81Å; Y51-I488 HydrophobicContact CE2-CG1 4.08Å; Y51-I488 WeakPolarHBondContact OH-CD1 3.26Å; Y51-I488 WeakPolarHBondContact OH-CG1 3.3Å; I488-F505 HydrophobicContact CG2-CB 4.36Å; I488-R506 HydrophobicContact CG2-CG 3.44Å; I488-R506 VanDerWaalsContact CG2-CG 3.44Å; I488-M535 HydrophobicContact CG1-CE 3.89Å; I488-M535 HydrophobicContact CG2-CE 3.9Å
489V83.4Confident84.2Confident9 Ų951.9 Ų51.96%0.05532%0.317CS..SBendtrans-105.2103.2-176.9178.80000106.7F41 P486 I501F41-V489 HydrophobicContact CD1-CG1 4.37Å; P486-V489 HydrophobicContact CG-CB 4.24Å; P486-V489 WeakPolarHBondContact CG-O 3.35Å; V489-I501 HydrophobicContact CG1-CG2 3.2Å
490L84Confident83.8Confident33 Ų3355.4 Ų55.417%0.17334%0.335CS..EExtended strand (participates in β ladder)trans-81.4142.9179.6-55.3176.4000108.7I501 F502 F505 Y588 L688L490-I501 CarbonylContact O-C 3.23Å; L490-I501 WeakPolarHBondContact O-CA 3.43Å; L490-F502 HydrophobicContact CB-CB 4.2Å; L490-F502 HydrophobicContact CB-CD2 4.31Å; L490-F502 PolarHBondContact N-O 2.83Å; L490-F502 PolarHBondContact O-N 3.21Å; L490-F505 HydrophobicContact CD1-CE2 4.01Å; L490-F505 HydrophobicContact CG-CE2 4.35Å; L490-Y588 HydrophobicContact CD1-CD2 3.56Å; L490-Y588 HydrophobicContact CD1-CE2 3.55Å; L490-Y588 HydrophobicContact CD1-CG 4.28Å; L490-Y588 HydrophobicContact CD2-CE2 3.96Å; L490-Y588 HydrophobicContact CG-CE2 4.42Å; L490-L688 HydrophobicContact CD1-CD1 4.04Å
491S82.9Confident83.6Confident60 Ų6059.1 Ų59.142%0.4235%0.352SS..EExtended strand (participates in β ladder)trans-123.9131.7174.870.20000110.4I500S491-I500 WeakPolarHBondContact CA-O 3.25Å
492A80.6Confident83.6Confident39 Ų3957 Ų5732%0.32234%0.342SS..EExtended strand (participates in β ladder)trans-116.2156.3167.900000110.2I500 F502A492-I500 PolarHBondContact N-O 3.45Å; A492-I500 PolarHBondContact O-N 3.14Å; A492-F502 HydrophobicContact CB-CE2 3.61Å; A492-F502 HydrophobicContact CB-CZ 4.36Å
493R79.5Confident83.7Confident172 Ų17257.1 Ų57.165%0.64934%0.336SS*.EExtended strand (participates in β ladder)trans-97121.7171-64.2-175-173.6173.75.6108.3E481 S498E481-R493 IonicContact OE2-NH2 3.76Å; E481-R493 PolarHBondContact OE2-NH2 3.04Å; R493-S498 CarbonylContact C-O 3.57Å; R493-S498 WeakPolarHBondContact CA-O 3.36Å
494G78Confident83.9Confident18 Ų1854.4 Ų54.419%0.18633%0.325CS..  trans-63.3164.9167.700000111.2D496 G497 S498G494-D496 PolarHBondContact O-N 3.36Å; G494-G497 PolarHBondContact O-N 3.5Å; G494-S498 PolarHBondContact N-O 3.03Å
495G80.9Confident84.3Confident98 Ų9854.6 Ų54.6100%1.0133%0.326SS*.THydrogen-bonded Turntrans-62.3-21.9178.900000114G497G495-G497 VanDerWaalsContact C-N 3.33Å
496D85.1Confident84.8Confident130 Ų13053.7 Ų53.770%0.69531%0.313SS*.THydrogen-bonded Turntrans-85-3.7174.364.1-18.5000113.5G494 S498G494-D496 PolarHBondContact O-N 3.36Å; D496-S498 VanDerWaalsContact C-N 3.3Å; D496-S498 VanDerWaalsContact CG-OG 3.27Å; D496-S498 VanDerWaalsContact OD1-CB 3.25Å; D496-S498 WeakPolarHBondContact OD1-CB 3.44Å; D496-S498 PolarHBondContact OD1-N 3.1Å; D496-S498 PolarHBondContact OD1-OG 3.38Å; D496-S498 WeakPolarHBondContact OD2-CB 3.26Å; D496-S498 PolarHBondContact OD2-OG 3.22Å
497G83.4Confident85.4Confident51 Ų5155.8 Ų55.853%0.52632%0.323SS..SBendtrans830.6-173.300000114.4G494 G495G494-G497 PolarHBondContact O-N 3.5Å; G495-G497 VanDerWaalsContact C-N 3.33Å
498S85.9Confident86.2Confident51 Ų5154.8 Ų54.836%0.35732%0.315SS..PPolyproline II helixtrans-62.5147.7171.467.90000110.4R493 G494 D496R493-S498 CarbonylContact C-O 3.57Å; R493-S498 WeakPolarHBondContact CA-O 3.36Å; G494-S498 PolarHBondContact N-O 3.03Å; D496-S498 VanDerWaalsContact C-N 3.3Å; D496-S498 VanDerWaalsContact CG-OG 3.27Å; D496-S498 VanDerWaalsContact OD1-CB 3.25Å; D496-S498 WeakPolarHBondContact OD1-CB 3.44Å; D496-S498 PolarHBondContact OD1-N 3.1Å; D496-S498 PolarHBondContact OD1-OG 3.38Å; D496-S498 WeakPolarHBondContact OD2-CB 3.26Å; D496-S498 PolarHBondContact OD2-OG 3.22Å
499R81.6Confident86.8Confident133 Ų13354.7 Ų54.750%0.50232%0.315SS..EExtended strand (participates in β ladder)trans-91.9116.5175.9-67.5-176.5-177.9-176.8-0.1108.6
500I83.7Confident87.4Confident75 Ų7560 Ų6039%0.38534%0.335SS..EExtended strand (participates in β ladder)trans-93.9125.7170.7-57.8172.1000106.7S491 A492 F502S491-I500 WeakPolarHBondContact CA-O 3.25Å; A492-I500 PolarHBondContact N-O 3.45Å; A492-I500 PolarHBondContact O-N 3.14Å; I500-F502 HydrophobicContact CG2-CE1 4.03Å; I500-F502 HydrophobicContact CG2-CE2 4.28Å; I500-F502 HydrophobicContact CG2-CZ 3.87Å
501I86Confident88Confident96 Ų9660.6 Ų60.649%0.49234%0.335SS..EExtended strand (participates in β ladder)trans-105.7122.8-179.4-63.2176.9000107.7V489 L490V489-I501 HydrophobicContact CG1-CG2 3.2Å; L490-I501 CarbonylContact O-C 3.23Å; L490-I501 WeakPolarHBondContact O-CA 3.43Å
502F88.3Confident88.7Confident33 Ų3357.8 Ų57.815%0.14532%0.315CS..EExtended strand (participates in β ladder)trans-100.6122.2172.1-52.7-80.8000108.9L490 A492 I500 T586 H686 L688L490-F502 HydrophobicContact CB-CB 4.2Å; L490-F502 HydrophobicContact CB-CD2 4.31Å; L490-F502 PolarHBondContact N-O 2.83Å; L490-F502 PolarHBondContact O-N 3.21Å; A492-F502 HydrophobicContact CB-CE2 3.61Å; A492-F502 HydrophobicContact CB-CZ 4.36Å; I500-F502 HydrophobicContact CG2-CE1 4.03Å; I500-F502 HydrophobicContact CG2-CE2 4.28Å; I500-F502 HydrophobicContact CG2-CZ 3.87Å; F502-T586 HydrophobicContact CE1-CG2 4.35Å; F502-H686 HydrophobicContact CD1-CB 4.26Å; F502-H686 AromaticContact CD1-CD2 3.7Å; F502-H686 AromaticContact CD1-CE1 3.77Å; F502-H686 AromaticContact CD1-CG 3.61Å; F502-H686 AromaticContact CD1-ND1 3.64Å; F502-H686 AromaticContact CD1-NE2 3.76Å; F502-H686 AromaticContact CE1-CD2 3.6Å; F502-H686 AromaticContact CE1-CG 3.93Å; F502-H686 AromaticContact CE1-NE2 3.81Å; F502-L688 HydrophobicContact CB-CD1 4.12Å
503D91.9Very high89.4Confident49 Ų4960.4 Ų60.426%0.26232%0.317SS..  trans-123.224.1-175.1-162.322.3000113.3F505 R506 E507D503-F505 PolarHBondContact O-N 3.32Å; D503-R506 VanDerWaalsContact CG-NH2 3.3Å; D503-R506 PolarHBondContact O-N 3.43Å; D503-R506 VanDerWaalsContact O-N 3.17Å; D503-R506 WeakPolarHBondContact OD1-CB 3.26Å; D503-R506 VanDerWaalsContact OD1-CG 3.31Å; D503-R506 WeakPolarHBondContact OD1-CG 3.22Å; D503-R506 IonicContact OD1-CZ 3.83Å; D503-R506 IonicContact OD1-NE 2.89Å; D503-R506 PolarHBondContact OD1-NE 2.87Å; D503-R506 IonicContact OD1-NH2 3.03Å; D503-R506 PolarHBondContact OD1-NH2 2.67Å; D503-R506 IonicContact OD2-CZ 2.81Å; D503-R506 IonicContact OD2-NE 3.04Å; D503-R506 PolarHBondContact OD2-NE 3.23Å; D503-R506 IonicContact OD2-NH2 2.78Å; D503-R506 PolarHBondContact OD2-NH2 3.16Å; D503-E507 PolarHBondContact O-N 2.93Å; D503-E507 VanDerWaalsContact O-N 3.07Å
504D93.7Very high90.2Very high2 Ų258.6 Ų58.61%0.01132%0.315CS..Hα-helixtrans-58.9-30.8-175.6-63.821.2000112.8E507 A508 T684 H686 L688D504-E507 PolarHBondContact O-N 2.97Å; D504-A508 WeakPolarHBondContact O-CB 3.47Å; D504-A508 PolarHBondContact O-N 2.93Å; D504-T684 HydrophobicContact CB-CG2 3.92Å; D504-T684 VanDerWaalsContact O-CG2 3.27Å; D504-T684 WeakPolarHBondContact O-CG2 3.36Å; D504-H686 IonicContact OD1-CE1 3.75Å; D504-H686 IonicContact OD1-CG 2.99Å; D504-H686 IonicContact OD1-ND1 3.58Å; D504-H686 PolarHBondContact OD1-ND1 3.42Å; D504-H686 WeakPolarHBondContact OD2-CA 3.49Å; D504-H686 WeakPolarHBondContact OD2-CB 3.36Å; D504-H686 IonicContact OD2-CG 3.02Å; D504-H686 PolarHBondContact OD2-N 3.26Å; D504-H686 IonicContact OD2-ND1 2.94Å; D504-H686 PolarHBondContact OD2-ND1 3.46Å; D504-L688 HydrophobicContact CB-CB 3.73Å; D504-L688 HydrophobicContact CB-CD1 3.91Å; D504-L688 HydrophobicContact CB-CG 4.33Å; D504-L688 WeakPolarHBondContact OD2-CB 3.14Å; D504-L688 WeakPolarHBondContact OD2-CD1 3.48Å; D504-L688 WeakPolarHBondContact OD2-CG 2.91Å
505F93.2Very high91.1Very high4 Ų462.4 Ų62.42%0.01833%0.331CS..Hα-helixtrans-61.6-52.1176.1-75.1-86.4000111.5I488 L490 D503 E507 A508 Y509 I581 Y588 V689I488-F505 HydrophobicContact CG2-CB 4.36Å; L490-F505 HydrophobicContact CD1-CE2 4.01Å; L490-F505 HydrophobicContact CG-CE2 4.35Å; D503-F505 PolarHBondContact O-N 3.32Å; F505-E507 VanDerWaalsContact C-N 3.33Å; F505-A508 PolarHBondContact O-N 2.86Å; F505-Y509 HydrophobicContact CB-CD2 4.48Å; F505-Y509 HydrophobicContact CB-CE2 4.12Å; F505-Y509 HydrophobicContact CD1-CE2 4.22Å; F505-Y509 WeakPolarHBondContact O-CB 3.34Å; F505-Y509 WeakPolarHBondContact O-CD2 3.37Å; F505-Y509 PolarHBondContact O-N 3.47Å; F505-I581 HydrophobicContact CD1-CD1 4.45Å; F505-I581 HydrophobicContact CE1-CD1 3.41Å; F505-I581 VanDerWaalsContact CE1-CD1 3.41Å; F505-I581 HydrophobicContact CZ-CD1 3.92Å; F505-Y588 HydrophobicContact CZ-CE1 4.42Å; F505-V689 HydrophobicContact CD1-CG2 4.09Å; F505-V689 HydrophobicContact CE1-CG2 4.38Å; F505-V689 HydrophobicContact CG-CG2 4.42Å
506R93.2Very high91.9Very high41 Ų4158.3 Ų58.316%0.15529%0.287CS..Hα-helixtrans-64.4-44.2178.5-65.4-166.5-69.2-174.2-0.7109.5E42 I488 D503 A508 Y509 Y510 M535E42-R506 IonicContact OE1-NH1 2.89Å; E42-R506 IonicContact OE1-NH2 2.66Å; E42-R506 IonicContact OE2-CZ 3.17Å; E42-R506 IonicContact OE2-NH1 3.41Å; E42-R506 PolarHBondContact OE2-NH1 3.09Å; E42-R506 IonicContact OE2-NH2 3.8Å; I488-R506 HydrophobicContact CG2-CG 3.44Å; I488-R506 VanDerWaalsContact CG2-CG 3.44Å; D503-R506 VanDerWaalsContact CG-NH2 3.3Å; D503-R506 PolarHBondContact O-N 3.43Å; D503-R506 VanDerWaalsContact O-N 3.17Å; D503-R506 WeakPolarHBondContact OD1-CB 3.26Å; D503-R506 VanDerWaalsContact OD1-CG 3.31Å; D503-R506 WeakPolarHBondContact OD1-CG 3.22Å; D503-R506 IonicContact OD1-CZ 3.83Å; D503-R506 IonicContact OD1-NE 2.89Å; D503-R506 PolarHBondContact OD1-NE 2.87Å; D503-R506 IonicContact OD1-NH2 3.03Å; D503-R506 PolarHBondContact OD1-NH2 2.67Å; D503-R506 IonicContact OD2-CZ 2.81Å; D503-R506 IonicContact OD2-NE 3.04Å; D503-R506 PolarHBondContact OD2-NE 3.23Å; D503-R506 IonicContact OD2-NH2 2.78Å; D503-R506 PolarHBondContact OD2-NH2 3.16Å; R506-A508 PolarHBondContact O-N 3.24Å; R506-Y509 PolarHBondContact O-N 3.48Å; R506-Y510 HydrophobicContact CB-CD2 4.14Å; R506-Y510 HydrophobicContact CB-CE2 4.27Å; R506-Y510 WeakPolarHBondContact O-CB 3.43Å; R506-Y510 WeakPolarHBondContact O-CD2 3.49Å; R506-Y510 PolarHBondContact O-N 3.26Å; R506-M535 HydrophobicContact CG-SD 4.28Å
507E95.6Very high92.3Very high54 Ų5455.5 Ų55.525%0.25228%0.276SS..Hα-helixtrans-50.8-54.2176.4-171.8-161.3148.100112D503 D504 F505 Y510 W511 Y682 T684 E685D503-E507 PolarHBondContact O-N 2.93Å; D503-E507 VanDerWaalsContact O-N 3.07Å; D504-E507 PolarHBondContact O-N 2.97Å; F505-E507 VanDerWaalsContact C-N 3.33Å; E507-Y510 PolarHBondContact O-N 2.96Å; E507-W511 WeakPolarHBondContact O-CB 3.43Å; E507-W511 PolarHBondContact O-N 2.95Å; E507-Y682 HydrophobicContact CG-CE1 4.33Å; E507-Y682 PolarHBondContact OE1-OH 3.23Å; E507-T684 HydrophobicContact CB-CG2 4.46Å; E507-E685 PolarHBondContact OE1-N 3.05Å; E507-E685 PolarHBondContact OE2-N 2.77Å
508A96.2Very high92.7Very high0 Ų060 Ų600%028%0.283CS..Hα-helixtrans-63.5-43.7179.400000113D504 F505 R506 W511 L512 T684 V689 I691D504-A508 WeakPolarHBondContact O-CB 3.47Å; D504-A508 PolarHBondContact O-N 2.93Å; F505-A508 PolarHBondContact O-N 2.86Å; R506-A508 PolarHBondContact O-N 3.24Å; A508-W511 PolarHBondContact O-N 3.41Å; A508-L512 PolarHBondContact O-N 2.9Å; A508-T684 HydrophobicContact CB-CG2 3.68Å; A508-V689 HydrophobicContact CB-CB 3.69Å; A508-V689 HydrophobicContact CB-CG1 3.51Å; A508-V689 HydrophobicContact CB-CG2 4.27Å; A508-I691 HydrophobicContact CB-CD1 4.14Å
509Y95.7Very high93.1Very high0 Ų062.2 Ų62.20%029%0.291CS..Hα-helixtrans-67.7-36.6179.5-62.4-34.8000112.2F505 R506 L512 R513 Q531 I532 M535 A536 L579F505-Y509 HydrophobicContact CB-CD2 4.48Å; F505-Y509 HydrophobicContact CB-CE2 4.12Å; F505-Y509 HydrophobicContact CD1-CE2 4.22Å; F505-Y509 WeakPolarHBondContact O-CB 3.34Å; F505-Y509 WeakPolarHBondContact O-CD2 3.37Å; F505-Y509 PolarHBondContact O-N 3.47Å; R506-Y509 PolarHBondContact O-N 3.48Å; Y509-L512 PolarHBondContact O-N 3.18Å; Y509-R513 WeakPolarHBondContact O-CB 3.5Å; Y509-R513 PolarHBondContact O-N 3.41Å; Y509-Q531 HydrophobicContact CE2-CB 3.91Å; Y509-Q531 PolarHBondContact OH-OE1 3.32Å; Y509-I532 HydrophobicContact CD1-CG1 4.13Å; Y509-I532 HydrophobicContact CE1-CG1 3.54Å; Y509-M535 HydrophobicContact CD2-CB 4.06Å; Y509-M535 HydrophobicContact CD2-CG 4.31Å; Y509-M535 HydrophobicContact CD2-SD 3.52Å; Y509-M535 VanDerWaalsContact CD2-SD 3.52Å; Y509-M535 HydrophobicContact CE2-SD 4.18Å; Y509-M535 HydrophobicContact CG-CB 4.21Å; Y509-M535 HydrophobicContact CG-SD 4.44Å; Y509-A536 WeakPolarHBondContact O-CA 3.44Å; Y509-A536 WeakPolarHBondContact O-CB 3.22Å; Y509-L579 HydrophobicContact CD1-CD1 4.28Å; Y509-L579 HydrophobicContact CE1-CD1 3.87Å
510Y96Very high93.7Very high122 Ų12256 Ų5648%0.47827%0.268SS..Hα-helixtrans-68.8-37.8173-85.2-71.4000111.9R506 E507 R513 H514R506-Y510 HydrophobicContact CB-CD2 4.14Å; R506-Y510 HydrophobicContact CB-CE2 4.27Å; R506-Y510 WeakPolarHBondContact O-CB 3.43Å; R506-Y510 WeakPolarHBondContact O-CD2 3.49Å; R506-Y510 PolarHBondContact O-N 3.26Å; E507-Y510 PolarHBondContact O-N 2.96Å; Y510-R513 WeakPolarHBondContact O-CB 3.35Å; Y510-R513 PolarHBondContact O-N 2.93Å; Y510-H514 AromaticContact CD1-NE2 3.96Å; Y510-H514 PolarHBondContact O-CD2 2.88Å; Y510-H514 VanDerWaalsContact O-CD2 3.27Å; Y510-H514 PolarHBondContact O-N 3.35Å
511W97.5Very high94.3Very high45 Ų4554 Ų5417%0.1726%0.257CS..Hα-helixtrans-59-48.3172.2-177.396.7000111E507 A508 R513 H514 N515 T516 Y577 A681 Y682 I691E507-W511 WeakPolarHBondContact O-CB 3.43Å; E507-W511 PolarHBondContact O-N 2.95Å; A508-W511 PolarHBondContact O-N 3.41Å; W511-R513 VanDerWaalsContact C-N 3.27Å; W511-R513 PolarHBondContact O-N 2.91Å; W511-H514 PolarHBondContact O-N 3.49Å; W511-N515 HydrophobicContact CD2-CB 4.22Å; W511-N515 HydrophobicContact CZ2-CB 4.19Å; W511-N515 PolarHBondContact NE1-ND2 2.87Å; W511-N515 VanDerWaalsContact NE1-ND2 3.15Å; W511-N515 WeakPolarHBondContact O-CB 3.48Å; W511-N515 PolarHBondContact O-N 2.9Å; W511-N515 PolarHBondContact O-ND2 3.44Å; W511-T516 HydrophobicContact CH2-CG2 4.41Å; W511-T516 HydrophobicContact CZ3-CG2 3.98Å; W511-Y577 HydrophobicContact CH2-CE1 4.36Å; W511-A681 HydrophobicContact CH2-CB 3.8Å; W511-A681 HydrophobicContact CZ2-CB 4.47Å; W511-Y682 HydrophobicContact CB-CD1 4.07Å; W511-Y682 HydrophobicContact CB-CE1 4.05Å; W511-Y682 HydrophobicContact CB-CG 4.36Å; W511-Y682 AromaticContact CD1-CD2 3.25Å; W511-Y682 AromaticContact CD1-CE2 3.34Å; W511-Y682 AromaticContact CD1-CG 3.67Å; W511-Y682 AromaticContact CD1-CZ 3.86Å; W511-Y682 HydrophobicContact CD2-CD1 4.15Å; W511-Y682 AromaticContact CD2-CD2 3.97Å; W511-Y682 HydrophobicContact CD2-CD2 3.97Å; W511-Y682 AromaticContact CD2-CG 3.65Å; W511-Y682 HydrophobicContact CD2-CG 3.65Å; W511-Y682 AromaticContact CE2-CD2 3.71Å; W511-Y682 AromaticContact CE2-CG 3.76Å; W511-Y682 HydrophobicContact CE3-CG 4.24Å; W511-Y682 AromaticContact CG-CD1 3.87Å; W511-Y682 HydrophobicContact CG-CD1 3.87Å; W511-Y682 AromaticContact CG-CD2 3.75Å; W511-Y682 HydrophobicContact CG-CD2 3.75Å; W511-Y682 HydrophobicContact CG-CE1 4.14Å; W511-Y682 HydrophobicContact CG-CE2 4Å; W511-Y682 AromaticContact CG-CG 3.66Å; W511-Y682 HydrophobicContact CG-CG 3.66Å; W511-Y682 HydrophobicContact CZ2-CD2 4.49Å; W511-Y682 HydrophobicContact CZ2-CG 4.44Å; W511-Y682 AromaticContact NE1-CD2 3.23Å; W511-Y682 AromaticContact NE1-CE2 3.74Å; W511-Y682 AromaticContact NE1-CG 3.74Å; W511-I691 HydrophobicContact CE3-CD1 3.67Å; W511-I691 HydrophobicContact CZ3-CB 4.43Å; W511-I691 HydrophobicContact CZ3-CD1 4.06Å; W511-I691 HydrophobicContact CZ3-CG2 3.94Å
512L96.4Very high94.8Very high0 Ų049.5 Ų49.50%023%0.233CC..Hα-helixtrans-56.5-43.5174.8-81.1170000111.4A508 Y509 H514 T516 V522 A536 R538 L579 I691A508-L512 PolarHBondContact O-N 2.9Å; Y509-L512 PolarHBondContact O-N 3.18Å; L512-H514 PolarHBondContact O-N 3.05Å; L512-T516 HydrophobicContact CD2-CG2 3.91Å; L512-T516 WeakPolarHBondContact O-CB 3.32Å; L512-T516 PolarHBondContact O-N 3.05Å; L512-T516 PolarHBondContact O-OG1 2.86Å; L512-V522 HydrophobicContact CD2-CG2 4.28Å; L512-A536 HydrophobicContact CB-CB 3.84Å; L512-A536 HydrophobicContact CD1-CB 4.33Å; L512-R538 PolarHBondContact O-NH2 2.96Å; L512-L579 HydrophobicContact CD1-CD1 3.89Å; L512-I691 HydrophobicContact CD1-CD1 4Å; L512-I691 HydrophobicContact CD2-CD1 4.1Å; L512-I691 HydrophobicContact CD2-CG2 4.07Å; L512-I691 HydrophobicContact CG-CD1 3.67Å
513R96.2Very high95.2Very high95 Ų9547.9 Ų47.936%0.35823%0.226SC..Hα-helixtrans-63.9-37.5-178.7-173.7172.5177.9166.5-4.7114Y509 Y510 W511 M535 A536 R538Y509-R513 WeakPolarHBondContact O-CB 3.5Å; Y509-R513 PolarHBondContact O-N 3.41Å; Y510-R513 WeakPolarHBondContact O-CB 3.35Å; Y510-R513 PolarHBondContact O-N 2.93Å; W511-R513 VanDerWaalsContact C-N 3.27Å; W511-R513 PolarHBondContact O-N 2.91Å; R513-M535 WeakPolarHBondContact CD-O 3.18Å; R513-M535 PolarHBondContact NH1-O 3.38Å; R513-A536 WeakPolarHBondContact CA-O 3.42Å; R513-A536 WeakPolarHBondContact CB-O 3.42Å; R513-A536 WeakPolarHBondContact CG-O 3.42Å; R513-R538 PolarHBondContact O-NH2 2.93Å
514H96.6Very high95.3Very high134 Ų13445.6 Ų45.662%0.6221%0.214SC*.Hα-helixtrans-99.8-24.8-172-71.8-66.7000114Y510 W511 L512Y510-H514 AromaticContact CD1-NE2 3.96Å; Y510-H514 PolarHBondContact O-CD2 2.88Å; Y510-H514 VanDerWaalsContact O-CD2 3.27Å; Y510-H514 PolarHBondContact O-N 3.35Å; W511-H514 PolarHBondContact O-N 3.49Å; L512-H514 PolarHBondContact O-N 3.05Å
515N96.9Very high95.4Very high97 Ų9745.8 Ų45.852%0.51922%0.215SC..Hα-helixtrans-1121-171.2-61-44.6000114.8W511W511-N515 HydrophobicContact CD2-CB 4.22Å; W511-N515 HydrophobicContact CZ2-CB 4.19Å; W511-N515 PolarHBondContact NE1-ND2 2.87Å; W511-N515 VanDerWaalsContact NE1-ND2 3.15Å; W511-N515 WeakPolarHBondContact O-CB 3.48Å; W511-N515 PolarHBondContact O-N 2.9Å; W511-N515 PolarHBondContact O-ND2 3.44Å
516T95.8Very high95.4Very high12 Ų1246.9 Ų46.97%0.07422%0.218CC..SBendtrans-117156176.872.20000111.8W511 L512 R538 Y577W511-T516 HydrophobicContact CH2-CG2 4.41Å; W511-T516 HydrophobicContact CZ3-CG2 3.98Å; L512-T516 HydrophobicContact CD2-CG2 3.91Å; L512-T516 WeakPolarHBondContact O-CB 3.32Å; L512-T516 PolarHBondContact O-N 3.05Å; L512-T516 PolarHBondContact O-OG1 2.86Å; T516-R538 PolarHBondContact O-NH2 2.56Å; T516-R538 PolarHBondContact OG1-NE 3.07Å; T516-R538 PolarHBondContact OG1-NH2 3.41Å; T516-Y577 HydrophobicContact CG2-CD2 4.1Å; T516-Y577 HydrophobicContact CG2-CE1 4.13Å; T516-Y577 HydrophobicContact CG2-CE2 3.52Å
517P94.8Very high95.3Very high72 Ų7246 Ų4647%0.46822%0.217SC..  trans-56.2148.6170.6-24.834.6000112.4D519 A520 R538P517-D519 VanDerWaalsContact CB-OD1 3.29Å; P517-D519 WeakPolarHBondContact CB-OD1 3.48Å; P517-D519 PolarHBondContact O-N 3.46Å; P517-A520 HydrophobicContact CB-CB 4.48Å; P517-A520 WeakPolarHBondContact O-CB 3.41Å; P517-A520 PolarHBondContact O-N 3.08Å; P517-R538 WeakPolarHBondContact O-CD 3.29Å; P517-R538 PolarHBondContact O-NE 2.95Å
518E92Very high95.2Very high146 Ų14643.6 Ų43.668%0.68221%0.206SC*.THydrogen-bonded Turntrans-62.2-29.7-179.2-67-164161.600113.3A520E518-A520 VanDerWaalsContact C-N 3.31Å
519D92.9Very high95Very high97 Ų9743.6 Ų43.652%0.51921%0.206SC..THydrogen-bonded Turntrans-89.47.1178.276-50.8000112.8P517 K521P517-D519 VanDerWaalsContact CB-OD1 3.29Å; P517-D519 WeakPolarHBondContact CB-OD1 3.48Å; P517-D519 PolarHBondContact O-N 3.46Å; D519-K521 WeakPolarHBondContact O-CD 3.32Å; D519-K521 WeakPolarHBondContact O-CE 3.47Å; D519-K521 PolarHBondContact O-N 3.29Å; D519-K521 PolarHBondContact O-NZ 2.67Å; D519-K521 IonicContact OD2-NZ 2.75Å; D519-K521 PolarHBondContact OD2-NZ 3.09Å
520A94.8Very high94.9Very high2 Ų244.5 Ų44.52%0.01721%0.209CC..  trans-62.4133.9179.300000111.2P517 E518 T539 Y577P517-A520 HydrophobicContact CB-CB 4.48Å; P517-A520 WeakPolarHBondContact O-CB 3.41Å; P517-A520 PolarHBondContact O-N 3.08Å; E518-A520 VanDerWaalsContact C-N 3.31Å; A520-T539 PolarHBondContact O-N 3.39Å; A520-Y577 HydrophobicContact CB-CD2 3.99Å; A520-Y577 HydrophobicContact CB-CE2 3.93Å
521K95.7Very high94.8Very high34 Ų3438.7 Ų38.715%0.14819%0.187CC..EExtended strand (participates in β ladder)trans-101.7120.6-178.3-60.390.7-172.9161.20109.5Y78 D519 T539 L541 S576 Y577Y78-K521 HydrophobicContact CD1-CG 4.22Å; Y78-K521 HydrophobicContact CE1-CG 4.38Å; Y78-K521 HydrophobicContact CG-CG 4.34Å; D519-K521 WeakPolarHBondContact O-CD 3.32Å; D519-K521 WeakPolarHBondContact O-CE 3.47Å; D519-K521 PolarHBondContact O-N 3.29Å; D519-K521 PolarHBondContact O-NZ 2.67Å; D519-K521 IonicContact OD2-NZ 2.75Å; D519-K521 PolarHBondContact OD2-NZ 3.09Å; K521-T539 WeakPolarHBondContact CA-O 3.14Å; K521-T539 HydrophobicContact CG-CG2 4.12Å; K521-L541 HydrophobicContact CB-CD1 4.07Å; K521-S576 PolarHBondContact N-OG 3.35Å; K521-S576 PolarHBondContact O-N 3.38Å; K521-Y577 PolarHBondContact O-N 3.48Å
522V96.6Very high94.6Very high0 Ų036.6 Ų36.60%018%0.178CC..EExtended strand (participates in β ladder)trans-105117.1-176.2-174.50000109.5L512 I532 R538 T539 Y577 L579L512-V522 HydrophobicContact CD2-CG2 4.28Å; V522-I532 HydrophobicContact CB-CG2 4.46Å; V522-I532 HydrophobicContact CG1-CD1 4.45Å; V522-R538 HydrophobicContact CG2-CB 4.05Å; V522-T539 PolarHBondContact N-O 3.24Å; V522-Y577 CarbonylContact C-O 3.53Å; V522-Y577 WeakPolarHBondContact CA-O 3.08Å; V522-L579 HydrophobicContact CG1-CB 4.06Å
523M96.6Very high94.4Very high0 Ų036.7 Ų36.70%018%0.179CC..EExtended strand (participates in β ladder)trans-85.8125.9169-174.1174.37400109.3L541 V555 A558 M559 M570 V575 Y577 V578 L579M523-L541 HydrophobicContact CB-CD2 4.48Å; M523-V555 HydrophobicContact CG-CG1 4Å; M523-V555 HydrophobicContact SD-CG1 4.33Å; M523-A558 HydrophobicContact CE-CB 4.26Å; M523-A558 HydrophobicContact SD-CB 4.15Å; M523-M559 HydrophobicContact CE-CE 3.88Å; M523-M559 HydrophobicContact CE-SD 4.2Å; M523-M559 HydrophobicContact CG-CE 4.14Å; M523-M570 HydrophobicContact CE-CG 3.64Å; M523-M570 HydrophobicContact CE-SD 3.63Å; M523-M570 HydrophobicContact SD-CG 4.08Å; M523-V575 HydrophobicContact CB-CB 4.47Å; M523-V575 HydrophobicContact CB-CG1 3.57Å; M523-V575 HydrophobicContact CB-CG2 3.97Å; M523-V575 HydrophobicContact SD-CG2 4.2Å; M523-Y577 PolarHBondContact N-O 3.31Å; M523-V578 HydrophobicContact CB-CG2 4.49Å; M523-V578 HydrophobicContact CE-CB 4.38Å; M523-V578 HydrophobicContact CE-CG1 3.67Å; M523-V578 HydrophobicContact CE-CG2 3.78Å; M523-V578 CarbonylContact O-C 3.6Å; M523-V578 WeakPolarHBondContact O-CA 3.38Å; M523-L579 PolarHBondContact O-N 3.49Å
524S95.3Very high94.2Very high1 Ų133.5 Ų33.51%0.00717%0.173CC..  trans-148.3170.9175.463.20000109I532 V542S524-I532 WeakPolarHBondContact OG-CD1 3.47Å; S524-V542 WeakPolarHBondContact O-CG2 3.14Å
525W95.3Very high94Very high6 Ų628.3 Ų28.32%0.02315%0.15CC..  trans-68.1151.4169.4-165.5-120.3000111.3D527 Y528 I552 M599 I602W525-D527 PolarHBondContact NE1-OD1 3.15Å; W525-D527 PolarHBondContact O-N 3.27Å; W525-D527 VanDerWaalsContact O-N 3.08Å; W525-Y528 HydrophobicContact CB-CD2 4.28Å; W525-Y528 HydrophobicContact CB-CE2 4.02Å; W525-Y528 PolarHBondContact O-N 3.06Å; W525-I552 HydrophobicContact CH2-CG2 4.05Å; W525-I552 HydrophobicContact CZ3-CG2 4.3Å; W525-M599 HydrophobicContact CB-CE 3.92Å; W525-M599 HydrophobicContact CD2-CE 3.74Å; W525-M599 HydrophobicContact CD2-CG 3.83Å; W525-M599 HydrophobicContact CD2-SD 4.02Å; W525-M599 HydrophobicContact CE3-CB 4.44Å; W525-M599 HydrophobicContact CE3-CE 4.17Å; W525-M599 HydrophobicContact CE3-CG 3.76Å; W525-M599 HydrophobicContact CE3-SD 3.86Å; W525-M599 HydrophobicContact CG-CE 3.61Å; W525-M599 HydrophobicContact CG-SD 4.48Å; W525-M599 HydrophobicContact CH2-CB 3.91Å; W525-M599 HydrophobicContact CH2-CG 3.73Å; W525-M599 HydrophobicContact CZ2-CB 4.35Å; W525-M599 HydrophobicContact CZ2-CG 3.76Å; W525-M599 HydrophobicContact CZ3-CB 3.96Å; W525-M599 HydrophobicContact CZ3-CG 3.73Å; W525-M599 HydrophobicContact CZ3-SD 4.3Å; W525-I602 HydrophobicContact CH2-CB 4.44Å; W525-I602 HydrophobicContact CH2-CD1 4.02Å; W525-I602 HydrophobicContact CZ2-CD1 3.83Å
526W94Very high93.9Very high26 Ų2623.7 Ų23.710%0.09813%0.125CC..G310 helixtrans-61.2-23.8-169.764.4-96000113.9V349 Y528 V542 D543 N544 T546 I552V349-W526 HydrophobicContact CG2-CH2 4.11Å; W526-Y528 PolarHBondContact O-N 3.03Å; W526-V542 HydrophobicContact CB-CB 4.32Å; W526-V542 HydrophobicContact CB-CG2 4.28Å; W526-D543 CarbonylContact O-C 3.57Å; W526-N544 WeakPolarHBondContact O-CA 3.31Å; W526-N544 PolarHBondContact O-N 3.48Å; W526-N544 PolarHBondContact O-OD1 2.92Å; W526-T546 HydrophobicContact CD2-CG2 4.01Å; W526-T546 HydrophobicContact CE3-CG2 3.89Å; W526-T546 HydrophobicContact CG-CG2 4.47Å; W526-T546 HydrophobicContact CZ3-CG2 4.28Å; W526-I552 HydrophobicContact CG-CG2 4.41Å
527D91.3Very high93.8Very high24 Ų2425.7 Ų25.713%0.12814%0.135CC..G310 helixtrans-57.5-31.6178.4-65.813.4000113.7F48 W525 N544 K595F48-D527 WeakPolarHBondContact CD1-O 3.45Å; W525-D527 PolarHBondContact NE1-OD1 3.15Å; W525-D527 PolarHBondContact O-N 3.27Å; W525-D527 VanDerWaalsContact O-N 3.08Å; D527-N544 PolarHBondContact O-ND2 2.75Å; D527-N544 PolarHBondContact O-OD1 3.47Å; D527-K595 WeakPolarHBondContact OD2-CE 3.46Å; D527-K595 IonicContact OD2-NZ 2.96Å; D527-K595 PolarHBondContact OD2-NZ 2.89Å
528Y92.7Very high93.8Very high3 Ų322.7 Ų22.71%0.01211%0.114CC..G310 helixtrans-101.7-5.8-168.9-43.6-56.7000113.4F48 W525 W526 Y530 Q531 I532 I581 D592 K595F48-Y528 HydrophobicContact CD1-CD1 4.46Å; F48-Y528 AromaticContact CE1-CD1 3.85Å; F48-Y528 HydrophobicContact CE1-CD1 3.85Å; F48-Y528 HydrophobicContact CE1-CE1 4.19Å; W525-Y528 HydrophobicContact CB-CD2 4.28Å; W525-Y528 HydrophobicContact CB-CE2 4.02Å; W525-Y528 PolarHBondContact O-N 3.06Å; W526-Y528 PolarHBondContact O-N 3.03Å; Y528-Y530 PolarHBondContact O-N 3.04Å; Y528-Q531 PolarHBondContact O-N 2.95Å; Y528-I532 WeakPolarHBondContact O-CG1 3.21Å; Y528-I532 PolarHBondContact O-N 3.48Å; Y528-I581 HydrophobicContact CD1-CD1 3.81Å; Y528-I581 HydrophobicContact CD2-CD1 4.2Å; Y528-I581 HydrophobicContact CD2-CG1 4.41Å; Y528-I581 HydrophobicContact CE1-CD1 3.28Å; Y528-I581 HydrophobicContact CE1-CG1 4.28Å; Y528-I581 HydrophobicContact CE2-CD1 3.71Å; Y528-I581 HydrophobicContact CE2-CG1 3.82Å; Y528-I581 HydrophobicContact CG-CD1 4.25Å; Y528-D592 VanDerWaalsContact CE2-OD1 3.31Å; Y528-D592 WeakPolarHBondContact CE2-OD1 3.18Å; Y528-D592 PolarHBondContact OH-OD1 3.49Å; Y528-K595 PolarHBondContact OH-NZ 2.96Å
529G92.9Very high94Very high0 Ų016.4 Ų16.40%09%0.086CC..Hα-helixtrans-53-49.9-172.200000112.7Q531 I532 T533 D543 N544G529-Q531 VanDerWaalsContact C-N 3.32Å; G529-Q531 PolarHBondContact O-N 3.29Å; G529-I532 PolarHBondContact O-N 3.09Å; G529-T533 PolarHBondContact O-N 3.35Å; G529-T533 PolarHBondContact O-OG1 3.31Å; G529-D543 WeakPolarHBondContact CA-OD1 2.96Å; G529-N544 PolarHBondContact N-OD1 3.06Å
530Y93.6Very high94.1Very high18 Ų1811.8 Ų11.87%0.0716%0.061CC..Hα-helixtrans-61.4-38.3179.6-73.1-20.5000113.4F48 F52 R82 Y528 A534 D543 N544 N545F48-Y530 WeakPolarHBondContact O-CB 2.91Å; F52-Y530 HydrophobicContact CB-CD1 3.53Å; F52-Y530 HydrophobicContact CB-CD2 3.64Å; F52-Y530 HydrophobicContact CB-CE1 3.53Å; F52-Y530 HydrophobicContact CB-CE2 3.64Å; F52-Y530 HydrophobicContact CB-CG 3.59Å; F52-Y530 HydrophobicContact CD1-CE1 4.32Å; F52-Y530 AromaticContact CD2-CD1 3.94Å; F52-Y530 HydrophobicContact CD2-CD1 3.94Å; F52-Y530 AromaticContact CD2-CE1 3.48Å; F52-Y530 HydrophobicContact CD2-CE1 3.48Å; F52-Y530 VanDerWaalsContact CD2-CE1 3.48Å; F52-Y530 HydrophobicContact CE2-CE1 4.27Å; F52-Y530 AromaticContact CG-CD1 3.98Å; F52-Y530 HydrophobicContact CG-CD1 3.98Å; F52-Y530 AromaticContact CG-CE1 3.52Å; F52-Y530 HydrophobicContact CG-CE1 3.52Å; F52-Y530 HydrophobicContact CG-CE2 4.13Å; F52-Y530 HydrophobicContact CG-CG 4.48Å; F52-Y530 AromaticContact CG-CZ 3.61Å; R82-Y530 PolarHBondContact NH1-OH 3.14Å; R82-Y530 VanDerWaalsContact NH1-OH 3.14Å; Y528-Y530 PolarHBondContact O-N 3.04Å; Y530-A534 VanDerWaalsContact O-CB 3.22Å; Y530-A534 WeakPolarHBondContact O-CB 3.2Å; Y530-A534 PolarHBondContact O-N 3.15Å; Y530-D543 WeakPolarHBondContact CD1-OD1 3.19Å; Y530-D543 WeakPolarHBondContact CD1-OD2 3.16Å; Y530-D543 WeakPolarHBondContact CE1-OD1 3.37Å; Y530-D543 WeakPolarHBondContact CE1-OD2 3.32Å; Y530-D543 PolarHBondContact N-OD1 3.02Å; Y530-D543 VanDerWaalsContact N-OD1 3.09Å; Y530-N544 HydrophobicContact CD1-CB 4.17Å; Y530-N544 HydrophobicContact CD2-CB 3.29Å; Y530-N544 HydrophobicContact CE1-CB 4.18Å; Y530-N544 HydrophobicContact CE2-CB 3.33Å; Y530-N544 HydrophobicContact CG-CB 3.75Å; Y530-N544 PolarHBondContact N-OD1 3Å; Y530-N545 VanDerWaalsContact OH-CB 3.27Å; Y530-N545 WeakPolarHBondContact OH-CB 3.48Å
531Q92.8Very high94Very high1 Ų111.8 Ų11.81%0.0056%0.061CC..Hα-helixtrans-68.2-45177.9-70.9-174.2-11.300111.1F48 Y51 Y509 Y528 G529 A534 M535F48-Q531 VanDerWaalsContact CD1-CD 3.45Å; F48-Q531 HydrophobicContact CD1-CG 4.01Å; Y51-Q531 HydrophobicContact CD2-CG 3.69Å; Y51-Q531 HydrophobicContact CE2-CG 4.03Å; Y51-Q531 HydrophobicContact CG-CG 4.31Å; Y509-Q531 HydrophobicContact CE2-CB 3.91Å; Y509-Q531 PolarHBondContact OH-OE1 3.32Å; Y528-Q531 PolarHBondContact O-N 2.95Å; G529-Q531 VanDerWaalsContact C-N 3.32Å; G529-Q531 PolarHBondContact O-N 3.29Å; Q531-A534 PolarHBondContact O-N 3.06Å; Q531-M535 VanDerWaalsContact O-CB 3.31Å; Q531-M535 WeakPolarHBondContact O-CB 3.24Å; Q531-M535 PolarHBondContact O-N 3.38Å
532I93.9Very high93.9Very high0 Ų010.1 Ų10.10%05%0.054CC..Iπ-helixtrans-60.8-49.5179.1-65.7165.7000109.8Y509 V522 S524 Y528 G529 A534 A536 N537 I540 L579Y509-I532 HydrophobicContact CD1-CG1 4.13Å; Y509-I532 HydrophobicContact CE1-CG1 3.54Å; V522-I532 HydrophobicContact CB-CG2 4.46Å; V522-I532 HydrophobicContact CG1-CD1 4.45Å; S524-I532 WeakPolarHBondContact OG-CD1 3.47Å; Y528-I532 WeakPolarHBondContact O-CG1 3.21Å; Y528-I532 PolarHBondContact O-N 3.48Å; G529-I532 PolarHBondContact O-N 3.09Å; I532-A534 VanDerWaalsContact C-N 3.34Å; I532-A534 PolarHBondContact O-N 2.94Å; I532-A536 HydrophobicContact CG2-CB 4.19Å; I532-A536 WeakPolarHBondContact O-CA 3.16Å; I532-A536 WeakPolarHBondContact O-CB 3.47Å; I532-A536 PolarHBondContact O-N 3.49Å; I532-N537 PolarHBondContact O-N 3.45Å; I532-N537 VanDerWaalsContact O-N 3.14Å; I532-I540 HydrophobicContact CB-CG2 3.95Å; I532-I540 HydrophobicContact CG2-CG2 3.6Å; I532-L579 HydrophobicContact CD1-CD1 4.34Å
533T92.4Very high93.6Very high3 Ų310.2 Ų10.22%0.0185%0.054CC..Iπ-helixtrans-68.4-33.4-177.6-49.70000112.6R75 G529 N537 I540R75-T533 HydrophobicContact CB-CG2 4.35Å; G529-T533 PolarHBondContact O-N 3.35Å; G529-T533 PolarHBondContact O-OG1 3.31Å; T533-N537 WeakPolarHBondContact O-CA 3.31Å; T533-I540 WeakPolarHBondContact OG1-CD1 3.29Å; T533-I540 WeakPolarHBondContact OG1-CG1 3.12Å; T533-I540 WeakPolarHBondContact OG1-CG2 3.32Å
534A91.4Very high93.3Very high28 Ų2811 Ų1123%0.2316%0.058CC..Iπ-helixtrans-78.8-41.5178.700000113.7Y51 Y530 Q531 I532Y51-A534 HydrophobicContact CD1-CB 3.71Å; Y51-A534 HydrophobicContact CG-CB 4.15Å; Y530-A534 VanDerWaalsContact O-CB 3.22Å; Y530-A534 WeakPolarHBondContact O-CB 3.2Å; Y530-A534 PolarHBondContact O-N 3.15Å; Q531-A534 PolarHBondContact O-N 3.06Å; I532-A534 VanDerWaalsContact C-N 3.34Å; I532-A534 PolarHBondContact O-N 2.94Å
535M92.4Very high93Very high25 Ų2513.4 Ų13.412%0.1237%0.071CC..Iπ-helixtrans-90.6-54.2-176.7-64.8-160.8-174.200112.9Y51 I488 R506 Y509 R513 Q531 N537Y51-M535 HydrophobicContact CD1-CE 4.35Å; Y51-M535 HydrophobicContact CD1-CG 4.47Å; Y51-M535 HydrophobicContact CE1-CE 3.35Å; Y51-M535 HydrophobicContact CE1-CG 4.12Å; Y51-M535 HydrophobicContact CE2-CE 4.02Å; Y51-M535 WeakPolarHBondContact OH-CE 3.39Å; I488-M535 HydrophobicContact CG1-CE 3.89Å; I488-M535 HydrophobicContact CG2-CE 3.9Å; R506-M535 HydrophobicContact CG-SD 4.28Å; Y509-M535 HydrophobicContact CD2-CB 4.06Å; Y509-M535 HydrophobicContact CD2-CG 4.31Å; Y509-M535 HydrophobicContact CD2-SD 3.52Å; Y509-M535 VanDerWaalsContact CD2-SD 3.52Å; Y509-M535 HydrophobicContact CE2-SD 4.18Å; Y509-M535 HydrophobicContact CG-CB 4.21Å; Y509-M535 HydrophobicContact CG-SD 4.44Å; R513-M535 WeakPolarHBondContact CD-O 3.18Å; R513-M535 PolarHBondContact NH1-O 3.38Å; Q531-M535 VanDerWaalsContact O-CB 3.31Å; Q531-M535 WeakPolarHBondContact O-CB 3.24Å; Q531-M535 PolarHBondContact O-N 3.38Å; M535-N537 VanDerWaalsContact C-N 3.31Å
536A93.8Very high92.6Very high0 Ų015.1 Ų15.10%08%0.082CC..Iπ-helixtrans-76.5-22.1-177.600000112.1Y509 L512 R513 I532 R538Y509-A536 WeakPolarHBondContact O-CA 3.44Å; Y509-A536 WeakPolarHBondContact O-CB 3.22Å; L512-A536 HydrophobicContact CB-CB 3.84Å; L512-A536 HydrophobicContact CD1-CB 4.33Å; R513-A536 WeakPolarHBondContact CA-O 3.42Å; R513-A536 WeakPolarHBondContact CB-O 3.42Å; R513-A536 WeakPolarHBondContact CG-O 3.42Å; I532-A536 HydrophobicContact CG2-CB 4.19Å; I532-A536 WeakPolarHBondContact O-CA 3.16Å; I532-A536 WeakPolarHBondContact O-CB 3.47Å; I532-A536 PolarHBondContact O-N 3.49Å; A536-R538 PolarHBondContact O-N 3.01Å; A536-R538 PolarHBondContact O-NH1 3.48Å
537N94.3Very high92.3Very high53 Ų5319.6 Ų19.628%0.28310%0.099SC..  trans53.851.4-178.2-165.232.3000111.7R75 I532 T533 M535R75-N537 VanDerWaalsContact NH1-CG 3.28Å; R75-N537 PolarHBondContact NH1-ND2 2.83Å; R75-N537 PolarHBondContact NH1-OD1 2.67Å; I532-N537 PolarHBondContact O-N 3.45Å; I532-N537 VanDerWaalsContact O-N 3.14Å; T533-N537 WeakPolarHBondContact O-CA 3.31Å; M535-N537 VanDerWaalsContact C-N 3.31Å
538R95Very high92.3Very high10 Ų1020.3 Ų20.34%0.03810%0.103CC..  trans-127.1161178.6-69.7-60179.3-83.82.1111.9L512 R513 T516 P517 V522 A536L512-R538 PolarHBondContact O-NH2 2.96Å; R513-R538 PolarHBondContact O-NH2 2.93Å; T516-R538 PolarHBondContact O-NH2 2.56Å; T516-R538 PolarHBondContact OG1-NE 3.07Å; T516-R538 PolarHBondContact OG1-NH2 3.41Å; P517-R538 WeakPolarHBondContact O-CD 3.29Å; P517-R538 PolarHBondContact O-NE 2.95Å; V522-R538 HydrophobicContact CG2-CB 4.05Å; A536-R538 PolarHBondContact O-N 3.01Å; A536-R538 PolarHBondContact O-NH1 3.48Å
539T95.6Very high92.1Very high14 Ų1423.3 Ų23.39%0.08612%0.119CC..EExtended strand (participates in β ladder)trans-75.6131.6-178.6-60.60000110.4R75 Y78 A520 K521 V522R75-T539 CarbonylContact O-C 3.58Å; R75-T539 VanDerWaalsContact O-CA 3.24Å; R75-T539 WeakPolarHBondContact O-CA 3.49Å; Y78-T539 HydrophobicContact CD2-CG2 4.17Å; Y78-T539 HydrophobicContact CG-CG2 4.13Å; A520-T539 PolarHBondContact O-N 3.39Å; K521-T539 WeakPolarHBondContact CA-O 3.14Å; K521-T539 HydrophobicContact CG-CG2 4.12Å; V522-T539 PolarHBondContact N-O 3.24Å
540I95.2Very high92Very high0 Ų027.4 Ų27.40%015%0.145CC..EExtended strand (participates in β ladder)trans-115.1150.1-18059.6168.6000111.2R75 A76 W77 Y78 I532 T533 V542 D543R75-I540 PolarHBondContact O-N 3.49Å; A76-I540 HydrophobicContact CB-CD1 4.43Å; A76-I540 HydrophobicContact CB-CG1 4.34Å; W77-I540 PolarHBondContact N-O 3.08Å; Y78-I540 PolarHBondContact N-O 3.48Å; I532-I540 HydrophobicContact CB-CG2 3.95Å; I532-I540 HydrophobicContact CG2-CG2 3.6Å; T533-I540 WeakPolarHBondContact OG1-CD1 3.29Å; T533-I540 WeakPolarHBondContact OG1-CG1 3.12Å; T533-I540 WeakPolarHBondContact OG1-CG2 3.32Å; I540-V542 WeakPolarHBondContact CD1-O 3.5Å; I540-D543 HydrophobicContact CD1-CB 3.72Å; I540-D543 WeakPolarHBondContact CD1-OD1 3.43Å
541L94.1Very high91.9Very high1 Ų127.6 Ų27.61%0.00515%0.146CC..SBendtrans-85.5-40.6178.3-79.372.6000112.5W77 K521 M523 H551 L573 V575W77-L541 WeakPolarHBondContact CA-O 3.17Å; K521-L541 HydrophobicContact CB-CD1 4.07Å; M523-L541 HydrophobicContact CB-CD2 4.48Å; L541-H551 PolarHBondContact O-CD2 3.19Å; L541-H551 VanDerWaalsContact O-CD2 3.26Å; L541-H551 PolarHBondContact O-NE2 3.33Å; L541-L573 HydrophobicContact CD2-CB 3.65Å; L541-L573 HydrophobicContact CD2-CD1 3.84Å; L541-L573 HydrophobicContact CD2-CG 4.34Å; L541-V575 HydrophobicContact CD1-CG2 4.24Å; L541-V575 HydrophobicContact CD2-CG2 3.45Å; L541-V575 VanDerWaalsContact CD2-CG2 3.45Å
542V93.5Very high91.9Very high0 Ų027.5 Ų27.50%015%0.146CC..SBendtrans-129.7145.4-179-70.80000109.1W77 S524 W526 I540 I552 V555W77-V542 HydrophobicContact CZ3-CG1 4.45Å; S524-V542 WeakPolarHBondContact O-CG2 3.14Å; W526-V542 HydrophobicContact CB-CB 4.32Å; W526-V542 HydrophobicContact CB-CG2 4.28Å; I540-V542 WeakPolarHBondContact CD1-O 3.5Å; V542-I552 HydrophobicContact CB-CG1 4.49Å; V542-I552 HydrophobicContact CG1-CG1 4.06Å; V542-V555 HydrophobicContact CG1-CB 4.29Å; V542-V555 HydrophobicContact CG1-CG2 3.59Å; V542-V555 HydrophobicContact CG2-CG1 4.3Å; V542-V555 HydrophobicContact CG2-CG2 4.18Å
543D89.8Confident91.9Very high1 Ų127.5 Ų27.51%0.00515%0.146CC..  trans-131.2167.2-173.2-151.28.7000110.6W77 R82 W526 G529 Y530 I540 N545W77-D543 HydrophobicContact CZ2-CB 4.07Å; R82-D543 IonicContact NH1-OD2 3.92Å; W526-D543 CarbonylContact O-C 3.57Å; G529-D543 WeakPolarHBondContact CA-OD1 2.96Å; Y530-D543 WeakPolarHBondContact CD1-OD1 3.19Å; Y530-D543 WeakPolarHBondContact CD1-OD2 3.16Å; Y530-D543 WeakPolarHBondContact CE1-OD1 3.37Å; Y530-D543 WeakPolarHBondContact CE1-OD2 3.32Å; Y530-D543 PolarHBondContact N-OD1 3.02Å; Y530-D543 VanDerWaalsContact N-OD1 3.09Å; I540-D543 HydrophobicContact CD1-CB 3.72Å; I540-D543 WeakPolarHBondContact CD1-OD1 3.43Å; D543-N545 PolarHBondContact O-N 2.83Å
544N90.6Very high91.9Very high16 Ų1630.4 Ų30.49%0.08616%0.156CC..SBendtrans-63.4-28-175.5-7159.3000113.9F48 W526 D527 G529 Y530 T546F48-N544 VanDerWaalsContact CB-ND2 3.34Å; F48-N544 WeakPolarHBondContact CB-ND2 3.37Å; W526-N544 WeakPolarHBondContact O-CA 3.31Å; W526-N544 PolarHBondContact O-N 3.48Å; W526-N544 PolarHBondContact O-OD1 2.92Å; D527-N544 PolarHBondContact O-ND2 2.75Å; D527-N544 PolarHBondContact O-OD1 3.47Å; G529-N544 PolarHBondContact N-OD1 3.06Å; Y530-N544 HydrophobicContact CD1-CB 4.17Å; Y530-N544 HydrophobicContact CD2-CB 3.29Å; Y530-N544 HydrophobicContact CE1-CB 4.18Å; Y530-N544 HydrophobicContact CE2-CB 3.33Å; Y530-N544 HydrophobicContact CG-CB 3.75Å; Y530-N544 PolarHBondContact N-OD1 3Å; N544-T546 PolarHBondContact O-N 3.23Å
545N88.9Confident92.1Very high53 Ų5329 Ų2928%0.28315%0.145SC..SBendtrans-79.595.4173.5179.128.9000110.8W77 R82 Y530 D543 W547W77-N545 WeakPolarHBondContact CZ2-O 3.43Å; R82-N545 VanDerWaalsContact CZ-ND2 3.34Å; R82-N545 PolarHBondContact NH2-ND2 3.29Å; R82-N545 VanDerWaalsContact NH2-ND2 3.13Å; Y530-N545 VanDerWaalsContact OH-CB 3.27Å; Y530-N545 WeakPolarHBondContact OH-CB 3.48Å; D543-N545 PolarHBondContact O-N 2.83Å; N545-W547 VanDerWaalsContact C-N 3.25Å; N545-W547 VanDerWaalsContact O-CD1 3.26Å; N545-W547 PolarHBondContact O-N 3.06Å
546T87.6Confident92.1Very high42 Ų4227.9 Ų27.926%0.25814%0.139SC..  trans-73.662.9-174.365.40000114I345 W526 N544 N549 I552I345-T546 HydrophobicContact CG2-CG2 3.99Å; W526-T546 HydrophobicContact CD2-CG2 4.01Å; W526-T546 HydrophobicContact CE3-CG2 3.89Å; W526-T546 HydrophobicContact CG-CG2 4.47Å; W526-T546 HydrophobicContact CZ3-CG2 4.28Å; N544-T546 PolarHBondContact O-N 3.23Å; T546-N549 PolarHBondContact O-OD1 3.09Å; T546-I552 HydrophobicContact CG2-CD1 3.58Å
547W87.6Confident92.1Very high120 Ų12027.9 Ų27.946%0.45514%0.139SC..  trans-83-24.2-17969.1-91.6000113.5W77 L80 N545W77-W547 HydrophobicContact CB-CZ2 4.25Å; W77-W547 AromaticContact CD1-NE1 3.39Å; W77-W547 AromaticContact CD2-CE2 3.72Å; W77-W547 AromaticContact CD2-CZ2 3.95Å; W77-W547 HydrophobicContact CD2-CZ2 3.95Å; W77-W547 AromaticContact CD2-NE1 3.14Å; W77-W547 AromaticContact CE2-CD1 3.5Å; W77-W547 AromaticContact CE2-NE1 3.06Å; W77-W547 AromaticContact CE3-CE2 3.97Å; W77-W547 AromaticContact CE3-CZ2 4Å; W77-W547 HydrophobicContact CE3-CZ2 4Å; W77-W547 AromaticContact CE3-NE1 3.8Å; W77-W547 HydrophobicContact CG-CZ2 4.03Å; W77-W547 AromaticContact CG-NE1 3.4Å; W77-W547 AromaticContact CZ2-CD1 3.74Å; W77-W547 AromaticContact CZ2-NE1 3.72Å; W77-W547 AromaticContact NE1-CD1 3.6Å; W77-W547 AromaticContact NE1-NE1 3.14Å; W77-W547 VanDerWaalsContact NE1-NE1 3.14Å; L80-W547 HydrophobicContact CB-CH2 4.31Å; L80-W547 HydrophobicContact CB-CZ2 4.36Å; L80-W547 HydrophobicContact CD1-CH2 3.84Å; L80-W547 HydrophobicContact CD1-CZ2 4.05Å; N545-W547 VanDerWaalsContact C-N 3.25Å; N545-W547 VanDerWaalsContact O-CD1 3.26Å; N545-W547 PolarHBondContact O-N 3.06Å
548N89.8Confident92.2Very high38 Ų3825.4 Ų25.420%0.20313%0.126CC..  trans-121.192.9176.9-171.3-16.4000111.6W77 T550 H551 I552W77-N548 HydrophobicContact CE3-CB 4.37Å; W77-N548 HydrophobicContact CH2-CB 4.44Å; W77-N548 HydrophobicContact CZ3-CB 3.82Å; N548-T550 VanDerWaalsContact C-N 3.3Å; N548-T550 PolarHBondContact O-N 2.97Å; N548-T550 PolarHBondContact OD1-N 3.47Å; N548-H551 HydrophobicContact CB-CB 4.25Å; N548-H551 PolarHBondContact O-N 2.88Å; N548-H551 PolarHBondContact OD1-N 3.38Å; N548-I552 PolarHBondContact O-N 3.31Å
549N88.4Confident92.1Very high66 Ų6624.9 Ų24.935%0.35312%0.124SC..Hα-helixtrans-64-32.9-178-63.8-16.8000113.1I345 T546 H551 I552 S553I345-N549 HydrophobicContact CD1-CB 3.61Å; I345-N549 WeakPolarHBondContact CD1-OD1 3.34Å; T546-N549 PolarHBondContact O-OD1 3.09Å; N549-H551 VanDerWaalsContact C-N 3.33Å; N549-H551 PolarHBondContact O-N 3.37Å; N549-I552 PolarHBondContact O-N 3.06Å; N549-S553 WeakPolarHBondContact O-CB 3.32Å; N549-S553 PolarHBondContact O-N 2.9Å
550T90.7Very high92.1Very high87 Ų8724.3 Ų24.353%0.53412%0.121SC..Hα-helixtrans-66.2-39.1-179.7-53.20000111.2N548 S553 R554 T606N548-T550 VanDerWaalsContact C-N 3.3Å; N548-T550 PolarHBondContact O-N 2.97Å; N548-T550 PolarHBondContact OD1-N 3.47Å; T550-S553 WeakPolarHBondContact O-CB 3.26Å; T550-S553 PolarHBondContact O-N 3.46Å; T550-R554 PolarHBondContact O-N 3.37Å; T550-T606 HydrophobicContact CG2-CG2 4.31Å
551H92.2Very high92Very high21 Ų2124.7 Ų24.710%0.09712%0.124CC..Hα-helixtrans-69.2-40.8178.2-157.148000111.8W77 Y78 L541 N548 N549 S553 R554 V555W77-H551 AromaticContact CE3-CD2 3.75Å; W77-H551 HydrophobicContact CZ3-CB 4.03Å; W77-H551 AromaticContact CZ3-CD2 3.91Å; Y78-H551 PolarHBondContact O-NE2 3.06Å; L541-H551 PolarHBondContact O-CD2 3.19Å; L541-H551 VanDerWaalsContact O-CD2 3.26Å; L541-H551 PolarHBondContact O-NE2 3.33Å; N548-H551 HydrophobicContact CB-CB 4.25Å; N548-H551 PolarHBondContact O-N 2.88Å; N548-H551 PolarHBondContact OD1-N 3.38Å; N549-H551 VanDerWaalsContact C-N 3.33Å; N549-H551 PolarHBondContact O-N 3.37Å; H551-S553 VanDerWaalsContact C-N 3.3Å; H551-S553 PolarHBondContact O-N 3.47Å; H551-R554 WeakPolarHBondContact O-CB 3.39Å; H551-R554 PolarHBondContact O-N 2.85Å; H551-R554 VanDerWaalsContact O-N 3.16Å; H551-V555 PolarHBondContact O-N 2.97Å
552I93.3Very high92Very high0 Ų027.6 Ų27.60%014%0.141CC..Hα-helixtrans-62.2-41.1172.2-59.7170.6000110.7W77 W525 W526 V542 T546 N548 N549 R554 V555 G556 I602W77-I552 HydrophobicContact CH2-CD1 4.02Å; W77-I552 HydrophobicContact CH2-CG1 3.87Å; W77-I552 HydrophobicContact CZ3-CG1 4.39Å; W525-I552 HydrophobicContact CH2-CG2 4.05Å; W525-I552 HydrophobicContact CZ3-CG2 4.3Å; W526-I552 HydrophobicContact CG-CG2 4.41Å; V542-I552 HydrophobicContact CB-CG1 4.49Å; V542-I552 HydrophobicContact CG1-CG1 4.06Å; T546-I552 HydrophobicContact CG2-CD1 3.58Å; N548-I552 PolarHBondContact O-N 3.31Å; N549-I552 PolarHBondContact O-N 3.06Å; I552-R554 VanDerWaalsContact C-N 3.28Å; I552-R554 PolarHBondContact O-N 2.92Å; I552-V555 PolarHBondContact O-N 3.3Å; I552-G556 PolarHBondContact O-N 2.81Å; I552-I602 HydrophobicContact CG2-CG2 4.02Å
553S92.8Very high91.9Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-58.9-39.7174.8-172.70000111.6N549 T550 H551 G556 Q557 I602 G603 T606N549-S553 WeakPolarHBondContact O-CB 3.32Å; N549-S553 PolarHBondContact O-N 2.9Å; T550-S553 WeakPolarHBondContact O-CB 3.26Å; T550-S553 PolarHBondContact O-N 3.46Å; H551-S553 VanDerWaalsContact C-N 3.3Å; H551-S553 PolarHBondContact O-N 3.47Å; S553-G556 CarbonylContact O-C 3.57Å; S553-G556 PolarHBondContact O-N 2.82Å; S553-Q557 VanDerWaalsContact O-CG 3.26Å; S553-Q557 WeakPolarHBondContact O-CG 3.48Å; S553-Q557 PolarHBondContact O-N 2.95Å; S553-Q557 PolarHBondContact OG-NE2 3.32Å; S553-I602 WeakPolarHBondContact CB-O 3.36Å; S553-I602 PolarHBondContact OG-O 3.37Å; S553-G603 PolarHBondContact OG-O 2.83Å; S553-G603 VanDerWaalsContact OG-O 3.05Å; S553-T606 VanDerWaalsContact CB-CG2 3.45Å; S553-T606 VanDerWaalsContact OG-CG2 3.26Å; S553-T606 WeakPolarHBondContact OG-CG2 3.44Å; S553-T606 PolarHBondContact OG-OG1 3.33Å
554R93.9Very high91.9Very high63 Ų6332.8 Ų32.824%0.23817%0.166CC..Hα-helixtrans-64-41.3176.7-164.560.6168.5163.3-0.4112.6T550 H551 I552 Q557 A558 I569 E572 L573T550-R554 PolarHBondContact O-N 3.37Å; H551-R554 WeakPolarHBondContact O-CB 3.39Å; H551-R554 PolarHBondContact O-N 2.85Å; H551-R554 VanDerWaalsContact O-N 3.16Å; I552-R554 VanDerWaalsContact C-N 3.28Å; I552-R554 PolarHBondContact O-N 2.92Å; R554-Q557 WeakPolarHBondContact O-CB 3.43Å; R554-Q557 PolarHBondContact O-N 3.02Å; R554-A558 PolarHBondContact O-N 2.83Å; R554-A558 VanDerWaalsContact O-N 3.08Å; R554-I569 HydrophobicContact CG-CG2 3.77Å; R554-E572 IonicContact CZ-OE2 3.25Å; R554-E572 IonicContact NE-OE2 3.43Å; R554-E572 PolarHBondContact NE-OE2 3.28Å; R554-E572 IonicContact NH2-OE2 2.68Å; R554-E572 PolarHBondContact NH2-OE2 3.2Å; R554-L573 HydrophobicContact CG-CD1 4.1Å
555V94.2Very high92Very high0 Ų036.9 Ų36.90%018%0.183CC..Hα-helixtrans-64.9-42.3172.3175.80000111.1M523 V542 H551 I552 Q557 A558 M559M523-V555 HydrophobicContact CG-CG1 4Å; M523-V555 HydrophobicContact SD-CG1 4.33Å; V542-V555 HydrophobicContact CG1-CB 4.29Å; V542-V555 HydrophobicContact CG1-CG2 3.59Å; V542-V555 HydrophobicContact CG2-CG1 4.3Å; V542-V555 HydrophobicContact CG2-CG2 4.18Å; H551-V555 PolarHBondContact O-N 2.97Å; I552-V555 PolarHBondContact O-N 3.3Å; V555-Q557 VanDerWaalsContact C-N 3.31Å; V555-Q557 PolarHBondContact O-N 3.45Å; V555-A558 WeakPolarHBondContact O-CB 3.22Å; V555-A558 PolarHBondContact O-N 2.93Å; V555-M559 WeakPolarHBondContact O-CG 3.38Å; V555-M559 PolarHBondContact O-N 2.93Å
556G93.9Very high92.2Very high0 Ų034.4 Ų34.40%017%0.169CC..Hα-helixtrans-60.5-38174.400000113.1I552 S553 M559 A560I552-G556 PolarHBondContact O-N 2.81Å; S553-G556 CarbonylContact O-C 3.57Å; S553-G556 PolarHBondContact O-N 2.82Å; G556-M559 PolarHBondContact O-N 3.41Å; G556-A560 VanDerWaalsContact O-CB 3.31Å; G556-A560 WeakPolarHBondContact O-CB 3.46Å; G556-A560 PolarHBondContact O-N 2.95Å
557Q93.7Very high92.5Very high1 Ų134 Ų341%0.00516%0.163CC..Hα-helixtrans-62.8-44.2173.5-72.1166.730.700111.6S553 R554 V555 M559 A560 S561 I569 G603 T606 T608 G609 I612S553-Q557 VanDerWaalsContact O-CG 3.26Å; S553-Q557 WeakPolarHBondContact O-CG 3.48Å; S553-Q557 PolarHBondContact O-N 2.95Å; S553-Q557 PolarHBondContact OG-NE2 3.32Å; R554-Q557 WeakPolarHBondContact O-CB 3.43Å; R554-Q557 PolarHBondContact O-N 3.02Å; V555-Q557 VanDerWaalsContact C-N 3.31Å; V555-Q557 PolarHBondContact O-N 3.45Å; Q557-M559 VanDerWaalsContact C-N 3.35Å; Q557-M559 PolarHBondContact O-N 3.29Å; Q557-A560 PolarHBondContact O-N 3.33Å; Q557-S561 WeakPolarHBondContact O-CB 3.47Å; Q557-S561 PolarHBondContact O-N 2.91Å; Q557-S561 PolarHBondContact O-OG 3.33Å; Q557-I569 HydrophobicContact CB-CD1 3.92Å; Q557-G603 PolarHBondContact NE2-O 3.1Å; Q557-T606 PolarHBondContact NE2-OG1 3.2Å; Q557-T608 PolarHBondContact NE2-OG1 2.81Å; Q557-T608 VanDerWaalsContact NE2-OG1 3.1Å; Q557-G609 VanDerWaalsContact NE2-CA 3.33Å; Q557-I612 HydrophobicContact CB-CD1 3.97Å; Q557-I612 HydrophobicContact CG-CD1 3.78Å
558A94.5Very high92.8Very high0 Ų034.8 Ų34.80%017%0.172CC..Hα-helixtrans-60.5-44.3176.200000111.7M523 R554 V555 A560 A566 I569M523-A558 HydrophobicContact CE-CB 4.26Å; M523-A558 HydrophobicContact SD-CB 4.15Å; R554-A558 PolarHBondContact O-N 2.83Å; R554-A558 VanDerWaalsContact O-N 3.08Å; V555-A558 WeakPolarHBondContact O-CB 3.22Å; V555-A558 PolarHBondContact O-N 2.93Å; A558-A560 PolarHBondContact O-N 3.49Å; A558-A566 HydrophobicContact CB-CB 4.5Å; A558-A566 WeakPolarHBondContact O-CB 3.26Å; A558-I569 HydrophobicContact CB-CB 4.12Å; A558-I569 HydrophobicContact CB-CD1 4.27Å; A558-I569 HydrophobicContact CB-CG2 3.9Å
559M94.6Very high92.9Very high0 Ų033.3 Ų33.30%016%0.164CC..Hα-helixtrans-67.8-34.3-179.7-65.5-56.7-171.700113.5M523 V555 G556 Q557 V578 M599 M639 M642M523-M559 HydrophobicContact CE-CE 3.88Å; M523-M559 HydrophobicContact CE-SD 4.2Å; M523-M559 HydrophobicContact CG-CE 4.14Å; V555-M559 WeakPolarHBondContact O-CG 3.38Å; V555-M559 PolarHBondContact O-N 2.93Å; G556-M559 PolarHBondContact O-N 3.41Å; Q557-M559 VanDerWaalsContact C-N 3.35Å; Q557-M559 PolarHBondContact O-N 3.29Å; M559-V578 HydrophobicContact CE-CG1 3.86Å; M559-V578 HydrophobicContact SD-CG1 4.48Å; M559-M599 HydrophobicContact CB-SD 4.07Å; M559-M599 HydrophobicContact CG-SD 4.27Å; M559-M639 HydrophobicContact CB-CE 3.92Å; M559-M639 HydrophobicContact CE-CE 4.4Å; M559-M639 HydrophobicContact CG-CE 3.84Å; M559-M639 WeakPolarHBondContact O-CB 3.44Å; M559-M639 PolarHBondContact O-N 2.87Å; M559-M639 HydrophobicContact SD-CE 3.59Å; M559-M639 VanDerWaalsContact SD-CE 3.59Å; M559-M642 HydrophobicContact SD-CE 3.54Å; M559-M642 VanDerWaalsContact SD-CE 3.54Å
560A94Very high93.2Very high2 Ų230.2 Ų30.22%0.01715%0.147CC..Hα-helixtrans-90.3-16.1-176.800000114.1G556 Q557 A558 F596 V600 I612 Y617G556-A560 VanDerWaalsContact O-CB 3.31Å; G556-A560 WeakPolarHBondContact O-CB 3.46Å; G556-A560 PolarHBondContact O-N 2.95Å; Q557-A560 PolarHBondContact O-N 3.33Å; A558-A560 PolarHBondContact O-N 3.49Å; A560-F596 HydrophobicContact CB-CE2 4.12Å; A560-F596 HydrophobicContact CB-CZ 4.08Å; A560-V600 HydrophobicContact CB-CG2 4.01Å; A560-I612 HydrophobicContact CB-CD1 4.14Å; A560-I612 HydrophobicContact CB-CG2 4.39Å; A560-Y617 PolarHBondContact O-OH 3.14Å
561S93.6Very high93.3Very high8 Ų830.2 Ų30.26%0.05614%0.138CC..SBendtrans-82.8171.4-177.7-63.70000113.6Q557 L638Q557-S561 WeakPolarHBondContact O-CB 3.47Å; Q557-S561 PolarHBondContact O-N 2.91Å; Q557-S561 PolarHBondContact O-OG 3.33Å; S561-L638 PolarHBondContact O-N 3.18Å
562T93.6Very high93.3Very high61 Ų6135 Ų3537%0.37416%0.16SC..  trans-65.3161.5165.5560000111E564 K565 A566T562-E564 VanDerWaalsContact C-N 3.35Å; T562-E564 PolarHBondContact O-N 2.95Å; T562-K565 PolarHBondContact O-N 3.42Å; T562-A566 VanDerWaalsContact O-CB 3.32Å; T562-A566 WeakPolarHBondContact O-CB 3.44Å; T562-A566 PolarHBondContact O-N 3.3Å
563E91.9Very high93.3Very high8 Ų835.7 Ų35.74%0.03716%0.163CC..Hα-helixtrans-58.2-40.4-174.3-170.1167.2179.300114.2A566 Y567 L638 K641 D676 V677E563-A566 PolarHBondContact O-N 3.02Å; E563-Y567 VanDerWaalsContact O-CB 3.3Å; E563-Y567 WeakPolarHBondContact O-CB 3.24Å; E563-Y567 PolarHBondContact O-N 3.4Å; E563-L638 HydrophobicContact CB-CD1 4.34Å; E563-L638 HydrophobicContact CG-CD1 4.12Å; E563-K641 IonicContact OE2-NZ 3.19Å; E563-K641 PolarHBondContact OE2-NZ 3.18Å; E563-D676 PolarHBondContact OE1-N 2.81Å; E563-V677 HydrophobicContact CG-CB 4.12Å; E563-V677 HydrophobicContact CG-CG1 3.92Å; E563-V677 HydrophobicContact CG-CG2 3.29Å; E563-V677 WeakPolarHBondContact OE1-CG2 3.41Å; E563-V677 PolarHBondContact OE1-N 3.46Å
564E91.1Very high93.4Very high103 Ų10339.8 Ų39.848%0.48119%0.185SC..Hα-helixtrans-61.3-52.3177.2-67.1166.9-173.200112.3T562 A566 Y567 E568T562-E564 VanDerWaalsContact C-N 3.35Å; T562-E564 PolarHBondContact O-N 2.95Å; E564-A566 VanDerWaalsContact C-N 3.33Å; E564-A566 PolarHBondContact O-N 3.4Å; E564-Y567 WeakPolarHBondContact O-CB 3.46Å; E564-Y567 PolarHBondContact O-N 3.28Å; E564-E568 PolarHBondContact O-N 2.97Å; E564-E568 VanDerWaalsContact O-N 3.14Å
565K92Very high93.4Very high102 Ų10237.1 Ų37.144%0.44318%0.176SC..Hα-helixtrans-65.5-39.3178.8-71.1-177179.1179.90111.5T562 Y567 E568 I569T562-K565 PolarHBondContact O-N 3.42Å; K565-Y567 VanDerWaalsContact C-N 3.29Å; K565-Y567 PolarHBondContact O-N 3.11Å; K565-E568 PolarHBondContact O-N 2.86Å; K565-I569 WeakPolarHBondContact O-CG1 3.44Å; K565-I569 PolarHBondContact O-N 3.49Å
566A93.5Very high93.5Very high0 Ų038.9 Ų38.90%019%0.189CC..Hα-helixtrans-65.6-35.8176.700000111.4A558 T562 E563 E564 I569 M570 L638A558-A566 HydrophobicContact CB-CB 4.5Å; A558-A566 WeakPolarHBondContact O-CB 3.26Å; T562-A566 VanDerWaalsContact O-CB 3.32Å; T562-A566 WeakPolarHBondContact O-CB 3.44Å; T562-A566 PolarHBondContact O-N 3.3Å; E563-A566 PolarHBondContact O-N 3.02Å; E564-A566 VanDerWaalsContact C-N 3.33Å; E564-A566 PolarHBondContact O-N 3.4Å; A566-I569 PolarHBondContact O-N 3.26Å; A566-M570 HydrophobicContact CB-CE 4.38Å; A566-M570 WeakPolarHBondContact O-CB 3.41Å; A566-M570 VanDerWaalsContact O-CG 3.29Å; A566-M570 WeakPolarHBondContact O-CG 3.41Å; A566-M570 PolarHBondContact O-N 3.27Å; A566-L638 HydrophobicContact CB-CB 4.2Å; A566-L638 HydrophobicContact CB-CD2 3.6Å; A566-L638 HydrophobicContact CB-CG 4.3Å
567Y93.8Very high93.6Very high33 Ų3340 Ų4013%0.12919%0.193CC..Hα-helixtrans-63.5-42.8175.3-172-115.1000112.4E563 E564 K565 I569 M570 R571 V677 V694 K695 D696 L697E563-Y567 VanDerWaalsContact O-CB 3.3Å; E563-Y567 WeakPolarHBondContact O-CB 3.24Å; E563-Y567 PolarHBondContact O-N 3.4Å; E564-Y567 WeakPolarHBondContact O-CB 3.46Å; E564-Y567 PolarHBondContact O-N 3.28Å; K565-Y567 VanDerWaalsContact C-N 3.29Å; K565-Y567 PolarHBondContact O-N 3.11Å; Y567-I569 VanDerWaalsContact C-N 3.29Å; Y567-I569 PolarHBondContact O-N 2.66Å; Y567-M570 HydrophobicContact CD2-CE 4.37Å; Y567-M570 PolarHBondContact O-N 3.4Å; Y567-R571 HydrophobicContact CD1-CG 4.23Å; Y567-R571 HydrophobicContact CD2-CG 4.29Å; Y567-R571 HydrophobicContact CE1-CG 3.94Å; Y567-R571 HydrophobicContact CE2-CG 4.04Å; Y567-R571 HydrophobicContact CG-CG 4.4Å; Y567-R571 WeakPolarHBondContact O-CB 3.47Å; Y567-R571 VanDerWaalsContact O-CG 3.28Å; Y567-R571 WeakPolarHBondContact O-CG 3.32Å; Y567-R571 PolarHBondContact O-N 3.42Å; Y567-V677 HydrophobicContact CD1-CG1 4.33Å; Y567-V677 HydrophobicContact CD2-CB 3.51Å; Y567-V677 HydrophobicContact CD2-CG1 4.05Å; Y567-V677 HydrophobicContact CD2-CG2 3.84Å; Y567-V677 HydrophobicContact CE2-CB 4.02Å; Y567-V677 HydrophobicContact CG-CB 3.85Å; Y567-V677 HydrophobicContact CG-CG1 3.86Å; Y567-V677 HydrophobicContact CG-CG2 4.21Å; Y567-V694 HydrophobicContact CD2-CG1 4Å; Y567-V694 HydrophobicContact CE2-CG1 3.62Å; Y567-K695 WeakPolarHBondContact CE2-O 3.46Å; Y567-K695 PolarHBondContact OH-O 3.37Å; Y567-D696 PolarHBondContact OH-O 3.43Å; Y567-L697 HydrophobicContact CE1-CD2 3.93Å; Y567-L697 PolarHBondContact OH-N 2.93Å
568E92.4Very high93.8Very high138 Ų13840 Ų4065%0.64519%0.193SC*.Hα-helixtrans-55.4-45.7173-67.5178.6173.500111.6E564 K565 R571 E572E564-E568 PolarHBondContact O-N 2.97Å; E564-E568 VanDerWaalsContact O-N 3.14Å; K565-E568 PolarHBondContact O-N 2.86Å; E568-R571 PolarHBondContact O-N 3.2Å; E568-E572 WeakPolarHBondContact O-CB 3.22Å; E568-E572 PolarHBondContact O-N 3.44Å
569I93Very high93.9Very high7 Ų740 Ų404%0.03619%0.193CC..Hα-helixtrans-67.3-43.8178.8-59174.4000111.4R554 Q557 A558 K565 A566 Y567 R571 E572 L573R554-I569 HydrophobicContact CG-CG2 3.77Å; Q557-I569 HydrophobicContact CB-CD1 3.92Å; A558-I569 HydrophobicContact CB-CB 4.12Å; A558-I569 HydrophobicContact CB-CD1 4.27Å; A558-I569 HydrophobicContact CB-CG2 3.9Å; K565-I569 WeakPolarHBondContact O-CG1 3.44Å; K565-I569 PolarHBondContact O-N 3.49Å; A566-I569 PolarHBondContact O-N 3.26Å; Y567-I569 VanDerWaalsContact C-N 3.29Å; Y567-I569 PolarHBondContact O-N 2.66Å; I569-R571 VanDerWaalsContact C-N 3.27Å; I569-R571 PolarHBondContact O-N 3.2Å; I569-E572 PolarHBondContact O-N 2.72Å; I569-L573 HydrophobicContact CG2-CD1 4.04Å; I569-L573 WeakPolarHBondContact O-CG 3.41Å; I569-L573 PolarHBondContact O-N 3.24Å; I569-L573 VanDerWaalsContact O-N 3.11Å
570M94.9Very high94Very high0 Ų040 Ų400%019%0.193CC..Hα-helixtrans-62.1-37178.4-75.8-173.6-67.200111.6M523 A566 Y567 D574 V575 V578 L638 V677 L678 V694M523-M570 HydrophobicContact CE-CG 3.64Å; M523-M570 HydrophobicContact CE-SD 3.63Å; M523-M570 HydrophobicContact SD-CG 4.08Å; A566-M570 HydrophobicContact CB-CE 4.38Å; A566-M570 WeakPolarHBondContact O-CB 3.41Å; A566-M570 VanDerWaalsContact O-CG 3.29Å; A566-M570 WeakPolarHBondContact O-CG 3.41Å; A566-M570 PolarHBondContact O-N 3.27Å; Y567-M570 HydrophobicContact CD2-CE 4.37Å; Y567-M570 PolarHBondContact O-N 3.4Å; M570-D574 PolarHBondContact O-N 2.94Å; M570-V575 HydrophobicContact CB-CB 4.08Å; M570-V575 HydrophobicContact CB-CG2 4.32Å; M570-V575 HydrophobicContact CG-CB 4.35Å; M570-V575 HydrophobicContact CG-CG2 4.41Å; M570-V575 WeakPolarHBondContact O-CB 3.39Å; M570-V575 PolarHBondContact O-N 3.25Å; M570-V578 HydrophobicContact SD-CG2 3.62Å; M570-L638 HydrophobicContact CE-CD2 4.2Å; M570-L638 HydrophobicContact SD-CD2 4.47Å; M570-V677 HydrophobicContact CE-CG2 4.15Å; M570-L678 HydrophobicContact CE-CD2 3.94Å; M570-L678 HydrophobicContact CE-CG 4.43Å; M570-L678 HydrophobicContact SD-CD2 4.13Å; M570-V694 HydrophobicContact SD-CG2 3.86Å
571R92.7Very high94.1Very high88 Ų8839.9 Ų39.933%0.33219%0.192SC..Hα-helixtrans-72.7-39175-67.9-58.4-58.4-167.80.8112.5Y567 E568 I569 L573 D574 D696Y567-R571 HydrophobicContact CD1-CG 4.23Å; Y567-R571 HydrophobicContact CD2-CG 4.29Å; Y567-R571 HydrophobicContact CE1-CG 3.94Å; Y567-R571 HydrophobicContact CE2-CG 4.04Å; Y567-R571 HydrophobicContact CG-CG 4.4Å; Y567-R571 WeakPolarHBondContact O-CB 3.47Å; Y567-R571 VanDerWaalsContact O-CG 3.28Å; Y567-R571 WeakPolarHBondContact O-CG 3.32Å; Y567-R571 PolarHBondContact O-N 3.42Å; E568-R571 PolarHBondContact O-N 3.2Å; I569-R571 VanDerWaalsContact C-N 3.27Å; I569-R571 PolarHBondContact O-N 3.2Å; R571-L573 PolarHBondContact O-N 3.1Å; R571-D574 PolarHBondContact O-N 3.3Å; R571-D696 IonicContact NH1-OD1 3.9Å
572E92.2Very high94.2Very high122 Ų12239.5 Ų39.557%0.5719%0.189SC*.Hα-helixtrans-58.2-34.6174.2-176.1-171.8176.900112.1R554 E568 I569R554-E572 IonicContact CZ-OE2 3.25Å; R554-E572 IonicContact NE-OE2 3.43Å; R554-E572 PolarHBondContact NE-OE2 3.28Å; R554-E572 IonicContact NH2-OE2 2.68Å; R554-E572 PolarHBondContact NH2-OE2 3.2Å; E568-E572 WeakPolarHBondContact O-CB 3.22Å; E568-E572 PolarHBondContact O-N 3.44Å; I569-E572 PolarHBondContact O-N 2.72Å
573L93.2Very high94.1Very high13 Ų1336.6 Ų36.67%0.06817%0.172CC..THydrogen-bonded Turntrans-98.410.9-177.9-59.7177.1000114Y78 L541 R554 I569 R571 V575Y78-L573 WeakPolarHBondContact CE1-O 2.88Å; L541-L573 HydrophobicContact CD2-CB 3.65Å; L541-L573 HydrophobicContact CD2-CD1 3.84Å; L541-L573 HydrophobicContact CD2-CG 4.34Å; R554-L573 HydrophobicContact CG-CD1 4.1Å; I569-L573 HydrophobicContact CG2-CD1 4.04Å; I569-L573 WeakPolarHBondContact O-CG 3.41Å; I569-L573 PolarHBondContact O-N 3.24Å; I569-L573 VanDerWaalsContact O-N 3.11Å; R571-L573 PolarHBondContact O-N 3.1Å; L573-V575 VanDerWaalsContact C-N 3.26Å; L573-V575 HydrophobicContact CB-CG2 4.09Å; L573-V575 PolarHBondContact O-N 3.04Å
574D94.2Very high94Very high86 Ų8636.2 Ų36.246%0.4617%0.17SC..THydrogen-bonded Turntrans48.740.9-177.7-67.3-42.5000114.3Y78 M570 R571 S576Y78-D574 HydrophobicContact CE1-CB 4.03Å; Y78-D574 PolarHBondContact OH-OD2 2.71Å; M570-D574 PolarHBondContact O-N 2.94Å; R571-D574 PolarHBondContact O-N 3.3Å; D574-S576 PolarHBondContact O-N 2.97Å
575V95Very high93.9Very high7 Ų732.9 Ų32.94%0.04216%0.155CC..  trans-69.8129.2-180179.10000110.8M523 L541 M570 L573 Y577 V578 V694M523-V575 HydrophobicContact CB-CB 4.47Å; M523-V575 HydrophobicContact CB-CG1 3.57Å; M523-V575 HydrophobicContact CB-CG2 3.97Å; M523-V575 HydrophobicContact SD-CG2 4.2Å; L541-V575 HydrophobicContact CD1-CG2 4.24Å; L541-V575 HydrophobicContact CD2-CG2 3.45Å; L541-V575 VanDerWaalsContact CD2-CG2 3.45Å; M570-V575 HydrophobicContact CB-CB 4.08Å; M570-V575 HydrophobicContact CB-CG2 4.32Å; M570-V575 HydrophobicContact CG-CB 4.35Å; M570-V575 HydrophobicContact CG-CG2 4.41Å; M570-V575 WeakPolarHBondContact O-CB 3.39Å; M570-V575 PolarHBondContact O-N 3.25Å; L573-V575 VanDerWaalsContact C-N 3.26Å; L573-V575 HydrophobicContact CB-CG2 4.09Å; L573-V575 PolarHBondContact O-N 3.04Å; V575-Y577 VanDerWaalsContact CG1-O 3.28Å; V575-Y577 WeakPolarHBondContact CG1-O 3.49Å; V575-V578 HydrophobicContact CG1-CG2 4.09Å; V575-V694 HydrophobicContact CB-CG2 4.38Å; V575-V694 HydrophobicContact CG1-CG2 3.91Å
576S95.5Very high93.7Very high38 Ų3829.7 Ų29.727%0.26614%0.144SC..  trans-98.1-42.7175.4-43.10000112.3K521 D574 V694K521-S576 PolarHBondContact N-OG 3.35Å; K521-S576 PolarHBondContact O-N 3.38Å; D574-S576 PolarHBondContact O-N 2.97Å; S576-V694 PolarHBondContact O-N 2.89Å
577Y97.2Very high93.4Very high24 Ų2431.5 Ų31.59%0.09416%0.162CC..EExtended strand (participates in β ladder)trans-130.9150.4-178.6-66.2-84.7000111.2W511 T516 A520 K521 V522 M523 V575 A681 I691 Y692 K693W511-Y577 HydrophobicContact CH2-CE1 4.36Å; T516-Y577 HydrophobicContact CG2-CD2 4.1Å; T516-Y577 HydrophobicContact CG2-CE1 4.13Å; T516-Y577 HydrophobicContact CG2-CE2 3.52Å; A520-Y577 HydrophobicContact CB-CD2 3.99Å; A520-Y577 HydrophobicContact CB-CE2 3.93Å; K521-Y577 PolarHBondContact O-N 3.48Å; V522-Y577 CarbonylContact C-O 3.53Å; V522-Y577 WeakPolarHBondContact CA-O 3.08Å; M523-Y577 PolarHBondContact N-O 3.31Å; V575-Y577 VanDerWaalsContact CG1-O 3.28Å; V575-Y577 WeakPolarHBondContact CG1-O 3.49Å; Y577-A681 HydrophobicContact CD1-CB 4.48Å; Y577-A681 HydrophobicContact CE1-CB 4.22Å; Y577-I691 HydrophobicContact CD1-CG2 3.95Å; Y577-I691 HydrophobicContact CG-CG2 4.49Å; Y577-Y692 CarbonylContact C-O 3.45Å; Y577-Y692 WeakPolarHBondContact CA-O 3.34Å; Y577-K693 HydrophobicContact CD1-CB 3.86Å; Y577-K693 HydrophobicContact CD1-CG 4.41Å; Y577-K693 HydrophobicContact CE1-CB 3.72Å; Y577-K693 HydrophobicContact CE1-CD 3.88Å; Y577-K693 HydrophobicContact CE1-CG 4.03Å
578V96.9Very high93.2Very high0 Ų032.1 Ų32.10%017%0.165CC..EExtended strand (participates in β ladder)trans-121.4126.1174.3-168.50000108.7M523 M559 M570 V575 M642 L678 I691 Y692 V694M523-V578 HydrophobicContact CB-CG2 4.49Å; M523-V578 HydrophobicContact CE-CB 4.38Å; M523-V578 HydrophobicContact CE-CG1 3.67Å; M523-V578 HydrophobicContact CE-CG2 3.78Å; M523-V578 CarbonylContact O-C 3.6Å; M523-V578 WeakPolarHBondContact O-CA 3.38Å; M559-V578 HydrophobicContact CE-CG1 3.86Å; M559-V578 HydrophobicContact SD-CG1 4.48Å; M570-V578 HydrophobicContact SD-CG2 3.62Å; V575-V578 HydrophobicContact CG1-CG2 4.09Å; V578-M642 HydrophobicContact CB-SD 4.21Å; V578-M642 HydrophobicContact CG1-CE 3.99Å; V578-M642 HydrophobicContact CG1-SD 3.68Å; V578-L678 HydrophobicContact CG2-CD2 4.27Å; V578-I691 WeakPolarHBondContact O-CA 3.25Å; V578-Y692 PolarHBondContact N-O 3.27Å; V578-Y692 PolarHBondContact O-N 3.1Å; V578-V694 HydrophobicContact CG2-CG2 3.99Å
579L96.9Very high92.9Very high0 Ų029.1 Ų29.10%016%0.159CC..EExtended strand (participates in β ladder)trans-108.8129.2177-178.3153.3000109.5Y509 L512 V522 M523 I532 I581 V689 I691Y509-L579 HydrophobicContact CD1-CD1 4.28Å; Y509-L579 HydrophobicContact CE1-CD1 3.87Å; L512-L579 HydrophobicContact CD1-CD1 3.89Å; V522-L579 HydrophobicContact CG1-CB 4.06Å; M523-L579 PolarHBondContact O-N 3.49Å; I532-L579 HydrophobicContact CD1-CD1 4.34Å; L579-I581 HydrophobicContact CD2-CG1 4.34Å; L579-V689 HydrophobicContact CD1-CG1 3.81Å; L579-V689 HydrophobicContact CD2-CG1 4.08Å; L579-V689 HydrophobicContact CG-CG1 3.78Å; L579-I691 HydrophobicContact CD1-CG1 4.3Å; L579-I691 HydrophobicContact CG-CG1 4.42Å
580V96.7Very high92.6Very high0 Ų031.3 Ų31.30%018%0.175CC..EExtended strand (participates in β ladder)trans-129.6147.7174.1-61.80000111D592 M639 M642 R690 Y692V580-D592 WeakPolarHBondContact CA-OD2 3.48Å; V580-M639 HydrophobicContact CB-SD 4.34Å; V580-M639 HydrophobicContact CG1-CE 4.16Å; V580-M639 HydrophobicContact CG1-SD 3.88Å; V580-M642 HydrophobicContact CG1-CB 4.29Å; V580-M642 HydrophobicContact CG1-CE 3.51Å; V580-M642 HydrophobicContact CG1-SD 4.04Å; V580-M642 HydrophobicContact CG2-CB 4.16Å; V580-R690 HydrophobicContact CG2-CB 3.94Å; V580-R690 PolarHBondContact N-O 3.4Å; V580-R690 PolarHBondContact O-N 2.94Å; V580-Y692 HydrophobicContact CG2-CD2 4.34Å; V580-Y692 HydrophobicContact CG2-CE2 3.87Å
581I95.7Very high92.6Very high0 Ų031.3 Ų31.30%018%0.175CC..EExtended strand (participates in β ladder)trans-101.6126.2174.8-55.9-161.2000109.8F505 Y528 L579 Y588 D591 D592 L688F505-I581 HydrophobicContact CD1-CD1 4.45Å; F505-I581 HydrophobicContact CE1-CD1 3.41Å; F505-I581 VanDerWaalsContact CE1-CD1 3.41Å; F505-I581 HydrophobicContact CZ-CD1 3.92Å; Y528-I581 HydrophobicContact CD1-CD1 3.81Å; Y528-I581 HydrophobicContact CD2-CD1 4.2Å; Y528-I581 HydrophobicContact CD2-CG1 4.41Å; Y528-I581 HydrophobicContact CE1-CD1 3.28Å; Y528-I581 HydrophobicContact CE1-CG1 4.28Å; Y528-I581 HydrophobicContact CE2-CD1 3.71Å; Y528-I581 HydrophobicContact CE2-CG1 3.82Å; Y528-I581 HydrophobicContact CG-CD1 4.25Å; L579-I581 HydrophobicContact CD2-CG1 4.34Å; I581-Y588 HydrophobicContact CG2-CD1 4.32Å; I581-Y588 HydrophobicContact CG2-CE1 4.22Å; I581-D591 HydrophobicContact CG2-CB 4.3Å; I581-D592 PolarHBondContact N-OD2 3.38Å; I581-D592 PolarHBondContact O-N 2.85Å; I581-L688 CarbonylContact C-O 3.6Å; I581-L688 VanDerWaalsContact CA-O 3.3Å; I581-L688 WeakPolarHBondContact CA-O 3.16Å; I581-L688 WeakPolarHBondContact CG2-O 3.37Å
582F95.6Very high92.7Very high0 Ų027.2 Ų27.20%016%0.16CC..  trans-126.4113.2-178.8173.8-117.4000111.5C643 Y644 F647 W687 L688F582-C643 HydrophobicContact CB-CB 4.41Å; F582-C643 HydrophobicContact CD2-CB 3.86Å; F582-C643 HydrophobicContact CG-CB 4.36Å; F582-Y644 AromaticContact CE2-CD1 3.75Å; F582-Y644 HydrophobicContact CE2-CD1 3.75Å; F582-Y644 AromaticContact CE2-CE1 3.51Å; F582-Y644 HydrophobicContact CE2-CE1 3.51Å; F582-Y644 AromaticContact CZ-CD1 3.95Å; F582-Y644 HydrophobicContact CZ-CD1 3.95Å; F582-Y644 AromaticContact CZ-CE1 3.92Å; F582-Y644 HydrophobicContact CZ-CE1 3.92Å; F582-F647 AromaticContact CE1-CD2 3.64Å; F582-F647 HydrophobicContact CE1-CD2 3.64Å; F582-F647 AromaticContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CG 4.21Å; F582-F647 HydrophobicContact CE1-CZ 4.25Å; F582-F647 HydrophobicContact CZ-CD1 4.07Å; F582-F647 AromaticContact CZ-CD2 3.75Å; F582-F647 HydrophobicContact CZ-CD2 3.75Å; F582-F647 AromaticContact CZ-CE1 3.99Å; F582-F647 HydrophobicContact CZ-CE1 3.99Å; F582-F647 AromaticContact CZ-CE2 3.65Å; F582-F647 HydrophobicContact CZ-CE2 3.65Å; F582-F647 AromaticContact CZ-CG 3.95Å; F582-F647 HydrophobicContact CZ-CG 3.95Å; F582-F647 AromaticContact CZ-CZ 3.77Å; F582-F647 HydrophobicContact CZ-CZ 3.77Å; F582-W687 HydrophobicContact CD1-CB 4.37Å; F582-W687 HydrophobicContact CE1-CE3 4.48Å; F582-L688 PolarHBondContact N-O 3.06Å; F582-L688 VanDerWaalsContact O-CA 3.31Å; F582-L688 WeakPolarHBondContact O-CA 3.39Å
583G92.3Very high92.8Very high0 Ų021.5 Ų21.50%013%0.133CC..  trans-97.11.3-176.800000115.1L585 T586 G587 Y588 D591 V663G583-L585 VanDerWaalsContact C-N 3.3Å; G583-L585 PolarHBondContact O-N 3.18Å; G583-T586 PolarHBondContact O-N 3.06Å; G583-T586 PolarHBondContact O-OG1 2.82Å; G583-G587 WeakPolarHBondContact O-CA 3.49Å; G583-G587 PolarHBondContact O-N 2.62Å; G583-Y588 WeakPolarHBondContact CA-O 3.47Å; G583-Y588 PolarHBondContact O-N 2.84Å; G583-Y588 VanDerWaalsContact O-N 3.09Å; G583-D591 VanDerWaalsContact N-CB 3.26Å; G583-D591 PolarHBondContact N-OD2 3.27Å; G583-V663 WeakPolarHBondContact O-CG2 3.45Å
584G89.8Confident92.8Very high0 Ų024.4 Ų24.40%015%0.149CC..THydrogen-bonded Turntrans-66.6-25.9-168.100000114.7D661 R662G584-D661 WeakPolarHBondContact CA-OD1 3.31Å; G584-R662 WeakPolarHBondContact O-CB 3.36Å; G584-R662 PolarHBondContact O-N 2.79Å
585L89.2Confident92.7Very high33 Ų3322.1 Ų22.117%0.17314%0.135CC..THydrogen-bonded Turntrans-80.4-42.7177-177.160.3000112.6G583 F647 V650 T652 R662 W687G583-L585 VanDerWaalsContact C-N 3.3Å; G583-L585 PolarHBondContact O-N 3.18Å; L585-F647 HydrophobicContact CB-CE2 4.34Å; L585-V650 HydrophobicContact CD1-CG1 4.27Å; L585-T652 HydrophobicContact CD1-CG2 3.66Å; L585-R662 VanDerWaalsContact O-CD 3.25Å; L585-R662 WeakPolarHBondContact O-CD 3.15Å; L585-R662 VanDerWaalsContact O-CZ 3.32Å; L585-R662 PolarHBondContact O-NE 2.9Å; L585-R662 PolarHBondContact O-NH1 2.95Å; L585-R662 VanDerWaalsContact O-NH1 3.11Å; L585-W687 HydrophobicContact CB-CB 4.43Å; L585-W687 HydrophobicContact CD2-CB 3.98Å; L585-W687 HydrophobicContact CD2-CD2 4.42Å; L585-W687 HydrophobicContact CD2-CG 3.91Å
586T86.3Confident92.7Very high35 Ų3521.8 Ų21.822%0.21513%0.133CC..THydrogen-bonded Turntrans-89.1-23.9-174.851.10000113.3F502 G583 Y588 H686 L688F502-T586 HydrophobicContact CE1-CG2 4.35Å; G583-T586 PolarHBondContact O-N 3.06Å; G583-T586 PolarHBondContact O-OG1 2.82Å; T586-Y588 PolarHBondContact OG1-N 2.71Å; T586-H686 HydrophobicContact CG2-CB 3.49Å; T586-H686 VanDerWaalsContact CG2-CB 3.49Å; T586-L688 HydrophobicContact CG2-CD2 4.23Å; T586-L688 HydrophobicContact CG2-CG 4.09Å; T586-L688 WeakPolarHBondContact OG1-CD2 3.33Å
587G87.4Confident92.5Very high37 Ų3721.4 Ų21.438%0.38113%0.128SC..THydrogen-bonded Turntrans89.420.7-168.900000113.2G583 S589 V663G583-G587 WeakPolarHBondContact O-CA 3.49Å; G583-G587 PolarHBondContact O-N 2.62Å; G587-S589 PolarHBondContact O-N 3.11Å; G587-V663 VanDerWaalsContact C-CG2 3.48Å
588Y89.3Confident92.3Very high47 Ų4723.6 Ų23.618%0.18414%0.136CC..  trans-75.8110178.1-177.3-111.2000111.3L490 F505 I581 G583 T586 S590 V663 L688L490-Y588 HydrophobicContact CD1-CD2 3.56Å; L490-Y588 HydrophobicContact CD1-CE2 3.55Å; L490-Y588 HydrophobicContact CD1-CG 4.28Å; L490-Y588 HydrophobicContact CD2-CE2 3.96Å; L490-Y588 HydrophobicContact CG-CE2 4.42Å; F505-Y588 HydrophobicContact CZ-CE1 4.42Å; I581-Y588 HydrophobicContact CG2-CD1 4.32Å; I581-Y588 HydrophobicContact CG2-CE1 4.22Å; G583-Y588 WeakPolarHBondContact CA-O 3.47Å; G583-Y588 PolarHBondContact O-N 2.84Å; G583-Y588 VanDerWaalsContact O-N 3.09Å; T586-Y588 PolarHBondContact OG1-N 2.71Å; Y588-S590 VanDerWaalsContact C-N 3.33Å; Y588-S590 WeakPolarHBondContact CE1-O 3.27Å; Y588-S590 PolarHBondContact O-N 3.33Å; Y588-V663 WeakPolarHBondContact O-CG2 3.34Å; Y588-L688 HydrophobicContact CD1-CD2 4.2Å; Y588-L688 HydrophobicContact CG-CD2 4.05Å
589S87Confident92.2Very high75 Ų7523.6 Ų23.652%0.52414%0.136SC..SBendtrans-72.6-20.3-174590000114.8G587 D591 N594G587-S589 PolarHBondContact O-N 3.11Å; S589-D591 PolarHBondContact O-N 2.87Å; S589-N594 PolarHBondContact O-ND2 3.47Å
590S87.4Confident92Very high53 Ų5323.7 Ų23.737%0.37114%0.136SC..SBendtrans-91.938.9-175.3-58.60000112.3Y588Y588-S590 VanDerWaalsContact C-N 3.33Å; Y588-S590 WeakPolarHBondContact CE1-O 3.27Å; Y588-S590 PolarHBondContact O-N 3.33Å
591D93.3Very high91.8Very high0 Ų027.5 Ų27.50%015%0.151CC..SBendtrans-87.7169.4179.476.4-19000112.9I581 G583 S589 I593 N594 K595 R664I581-D591 HydrophobicContact CG2-CB 4.3Å; G583-D591 VanDerWaalsContact N-CB 3.26Å; G583-D591 PolarHBondContact N-OD2 3.27Å; S589-D591 PolarHBondContact O-N 2.87Å; D591-I593 PolarHBondContact O-N 2.86Å; D591-N594 PolarHBondContact O-N 2.81Å; D591-N594 PolarHBondContact OD1-N 3.02Å; D591-K595 PolarHBondContact O-N 3.49Å; D591-R664 IonicContact OD1-NH1 2.68Å; D591-R664 IonicContact OD2-CZ 2.67Å; D591-R664 IonicContact OD2-NH1 3.26Å; D591-R664 PolarHBondContact OD2-NH1 3.43Å; D591-R664 IonicContact OD2-NH2 3.05Å; D591-R664 PolarHBondContact OD2-NH2 2.88Å
592D95.3Very high91.5Very high1 Ų127.5 Ų27.51%0.00515%0.151CC..Hα-helixtrans-71.3-20-172.2-71.2-23.2000112.8Y528 V580 I581 K595 F596 M599 M639Y528-D592 VanDerWaalsContact CE2-OD1 3.31Å; Y528-D592 WeakPolarHBondContact CE2-OD1 3.18Å; Y528-D592 PolarHBondContact OH-OD1 3.49Å; V580-D592 WeakPolarHBondContact CA-OD2 3.48Å; I581-D592 PolarHBondContact N-OD2 3.38Å; I581-D592 PolarHBondContact O-N 2.85Å; D592-K595 CarbonylContact O-C 3.52Å; D592-K595 PolarHBondContact O-N 3.46Å; D592-F596 WeakPolarHBondContact O-CA 3.46Å; D592-F596 WeakPolarHBondContact O-CB 3.46Å; D592-F596 PolarHBondContact O-N 2.81Å; D592-M599 HydrophobicContact CB-CE 3.89Å; D592-M639 HydrophobicContact CB-CE 4.05Å; D592-M639 HydrophobicContact CB-SD 3.85Å
593I94.5Very high91.3Very high2 Ų227.5 Ų27.51%0.0115%0.151CC..Hα-helixtrans-70-41.7174.7-63.8-65.6000111.4D591 K595 F596 F624 V626 M639 C643 Y644D591-I593 PolarHBondContact O-N 2.86Å; I593-K595 VanDerWaalsContact C-N 3.29Å; I593-K595 PolarHBondContact O-N 3.35Å; I593-F596 WeakPolarHBondContact O-CB 3.45Å; I593-F596 PolarHBondContact O-N 2.97Å; I593-F624 HydrophobicContact CG2-CE1 4.33Å; I593-V626 HydrophobicContact CG2-CG1 4.18Å; I593-M639 HydrophobicContact CD1-CG 3.95Å; I593-C643 HydrophobicContact CD1-CB 4.01Å; I593-C643 HydrophobicContact CG1-CB 4.02Å; I593-Y644 HydrophobicContact CD1-CE2 4.43Å
594N92.8Very high91.2Very high74 Ų7428.6 Ų28.640%0.39616%0.162SC..Hα-helixtrans-69.8-28.2174.2-78.2-20000112.6S589 D591 V663S589-N594 PolarHBondContact O-ND2 3.47Å; D591-N594 PolarHBondContact O-N 2.81Å; D591-N594 PolarHBondContact OD1-N 3.02Å; N594-V663 WeakPolarHBondContact ND2-CG1 3.37Å
595K92.6Very high91Very high38 Ų3831.8 Ų31.817%0.16518%0.184CC..Hα-helixtrans-83.7-11.1174.5-61.6177.6-171.8-179.50113.4D527 Y528 D591 D592 I593 L597 W598 M599D527-K595 WeakPolarHBondContact OD2-CE 3.46Å; D527-K595 IonicContact OD2-NZ 2.96Å; D527-K595 PolarHBondContact OD2-NZ 2.89Å; Y528-K595 PolarHBondContact OH-NZ 2.96Å; D591-K595 PolarHBondContact O-N 3.49Å; D592-K595 CarbonylContact O-C 3.52Å; D592-K595 PolarHBondContact O-N 3.46Å; I593-K595 VanDerWaalsContact C-N 3.29Å; I593-K595 PolarHBondContact O-N 3.35Å; K595-L597 VanDerWaalsContact C-N 3.31Å; K595-L597 PolarHBondContact O-N 3.48Å; K595-W598 WeakPolarHBondContact O-CB 3.31Å; K595-W598 PolarHBondContact O-N 2.83Å; K595-M599 HydrophobicContact CB-CE 4.33Å; K595-M599 PolarHBondContact O-N 3.02Å
596F94.3Very high90.8Very high0 Ų031.3 Ų31.30%018%0.182CC..Hα-helixtrans-56-40.5-169.6-180-108.8000113.7A560 D592 I593 W598 M599 V600 Y617 F624 L634 C637 M639A560-F596 HydrophobicContact CB-CE2 4.12Å; A560-F596 HydrophobicContact CB-CZ 4.08Å; D592-F596 WeakPolarHBondContact O-CA 3.46Å; D592-F596 WeakPolarHBondContact O-CB 3.46Å; D592-F596 PolarHBondContact O-N 2.81Å; I593-F596 WeakPolarHBondContact O-CB 3.45Å; I593-F596 PolarHBondContact O-N 2.97Å; F596-W598 PolarHBondContact O-N 2.93Å; F596-M599 WeakPolarHBondContact O-CA 3.48Å; F596-M599 VanDerWaalsContact O-CB 3.27Å; F596-M599 WeakPolarHBondContact O-CB 3.3Å; F596-M599 PolarHBondContact O-N 2.84Å; F596-V600 HydrophobicContact CD1-CG2 3.95Å; F596-V600 HydrophobicContact CE1-CG2 3.48Å; F596-V600 VanDerWaalsContact CE1-CG2 3.48Å; F596-V600 HydrophobicContact CE2-CG2 4.23Å; F596-V600 HydrophobicContact CG-CG2 4.5Å; F596-V600 HydrophobicContact CZ-CG2 3.64Å; F596-V600 PolarHBondContact O-N 3.26Å; F596-Y617 AromaticContact CE1-CD1 3.54Å; F596-Y617 HydrophobicContact CE1-CD1 3.54Å; F596-Y617 AromaticContact CE1-CE1 3.83Å; F596-Y617 HydrophobicContact CE1-CE1 3.83Å; F596-Y617 HydrophobicContact CE1-CG 4.09Å; F596-Y617 AromaticContact CZ-CD1 3.9Å; F596-Y617 HydrophobicContact CZ-CD1 3.9Å; F596-Y617 AromaticContact CZ-CE1 3.68Å; F596-Y617 HydrophobicContact CZ-CE1 3.68Å; F596-F624 AromaticContact CD1-CE2 4Å; F596-F624 HydrophobicContact CD1-CE2 4Å; F596-F624 HydrophobicContact CD1-CZ 4.02Å; F596-L634 HydrophobicContact CD1-CD1 3.97Å; F596-L634 HydrophobicContact CE1-CD1 3.57Å; F596-L634 HydrophobicContact CZ-CD1 4.24Å; F596-C637 HydrophobicContact CZ-CB 4.37Å; F596-M639 HydrophobicContact CD2-CB 3.78Å; F596-M639 HydrophobicContact CD2-CG 3.77Å; F596-M639 HydrophobicContact CE2-CB 3.67Å; F596-M639 HydrophobicContact CE2-CG 4.21Å
597L92.8Very high90.6Very high31 Ų3135.5 Ų35.516%0.16220%0.204CC..Hα-helixtrans-58.5-32177.8-77.3159.9000112.7K595 V600 R601 E614 Y618 F624K595-L597 VanDerWaalsContact C-N 3.31Å; K595-L597 PolarHBondContact O-N 3.48Å; L597-V600 PolarHBondContact O-N 2.7Å; L597-R601 WeakPolarHBondContact O-CG 3.34Å; L597-R601 PolarHBondContact O-N 3.47Å; L597-E614 HydrophobicContact CD2-CG 4.11Å; L597-Y618 HydrophobicContact CD1-CE1 4.4Å; L597-Y618 HydrophobicContact CD2-CE1 3.71Å; L597-Y618 WeakPolarHBondContact CD2-OH 3.49Å; L597-F624 HydrophobicContact CD1-CB 4.49Å; L597-F624 HydrophobicContact CD1-CD2 4.35Å; L597-F624 HydrophobicContact CD1-CG 4.21Å; L597-F624 HydrophobicContact CD2-CD2 4.34Å; L597-F624 HydrophobicContact CG-CD2 4.36Å; L597-F624 HydrophobicContact CG-CE2 4.44Å
598W92.6Very high90.4Very high70 Ų7037.9 Ų37.927%0.26521%0.211SC..Hα-helixtrans-70.6-37.3172.8-69.6113.2000112.1P344 A347 S348 K595 F596 V600 R601 I602P344-W598 HydrophobicContact CB-CZ3 4.42Å; A347-W598 HydrophobicContact CB-CH2 4.02Å; A347-W598 HydrophobicContact CB-CZ3 4.22Å; S348-W598 VanDerWaalsContact CB-CE3 3.5Å; K595-W598 WeakPolarHBondContact O-CB 3.31Å; K595-W598 PolarHBondContact O-N 2.83Å; F596-W598 PolarHBondContact O-N 2.93Å; W598-V600 VanDerWaalsContact C-N 3.29Å; W598-V600 PolarHBondContact O-N 2.94Å; W598-R601 PolarHBondContact O-N 2.83Å; W598-I602 WeakPolarHBondContact O-CB 3.47Å; W598-I602 WeakPolarHBondContact O-CD1 3.45Å; W598-I602 WeakPolarHBondContact O-CG1 2.99Å; W598-I602 PolarHBondContact O-N 3.23Å
599M93.9Very high90Very high0 Ų035.6 Ų35.60%020%0.202CC..Hα-helixtrans-61.4-40.5173.6-49.1-171.5-172.500111.1W525 M559 D592 K595 F596 G603 M639W525-M599 HydrophobicContact CB-CE 3.92Å; W525-M599 HydrophobicContact CD2-CE 3.74Å; W525-M599 HydrophobicContact CD2-CG 3.83Å; W525-M599 HydrophobicContact CD2-SD 4.02Å; W525-M599 HydrophobicContact CE3-CB 4.44Å; W525-M599 HydrophobicContact CE3-CE 4.17Å; W525-M599 HydrophobicContact CE3-CG 3.76Å; W525-M599 HydrophobicContact CE3-SD 3.86Å; W525-M599 HydrophobicContact CG-CE 3.61Å; W525-M599 HydrophobicContact CG-SD 4.48Å; W525-M599 HydrophobicContact CH2-CB 3.91Å; W525-M599 HydrophobicContact CH2-CG 3.73Å; W525-M599 HydrophobicContact CZ2-CB 4.35Å; W525-M599 HydrophobicContact CZ2-CG 3.76Å; W525-M599 HydrophobicContact CZ3-CB 3.96Å; W525-M599 HydrophobicContact CZ3-CG 3.73Å; W525-M599 HydrophobicContact CZ3-SD 4.3Å; M559-M599 HydrophobicContact CB-SD 4.07Å; M559-M599 HydrophobicContact CG-SD 4.27Å; D592-M599 HydrophobicContact CB-CE 3.89Å; K595-M599 HydrophobicContact CB-CE 4.33Å; K595-M599 PolarHBondContact O-N 3.02Å; F596-M599 WeakPolarHBondContact O-CA 3.48Å; F596-M599 VanDerWaalsContact O-CB 3.27Å; F596-M599 WeakPolarHBondContact O-CB 3.3Å; F596-M599 PolarHBondContact O-N 2.84Å; M599-G603 WeakPolarHBondContact O-CA 3.17Å; M599-G603 PolarHBondContact O-N 3.45Å; M599-M639 HydrophobicContact CE-CE 3.93Å; M599-M639 HydrophobicContact SD-CE 3.65Å
600V93.2Very high89.8Confident1 Ų138.3 Ų38.31%0.00620%0.204CC..Hα-helixtrans-64.3-48.8175.3173.70000111.4A560 F596 L597 W598 I602 G603 G604 I612 E614 Y617A560-V600 HydrophobicContact CB-CG2 4.01Å; F596-V600 HydrophobicContact CD1-CG2 3.95Å; F596-V600 HydrophobicContact CE1-CG2 3.48Å; F596-V600 VanDerWaalsContact CE1-CG2 3.48Å; F596-V600 HydrophobicContact CE2-CG2 4.23Å; F596-V600 HydrophobicContact CG-CG2 4.5Å; F596-V600 HydrophobicContact CZ-CG2 3.64Å; F596-V600 PolarHBondContact O-N 3.26Å; L597-V600 PolarHBondContact O-N 2.7Å; W598-V600 VanDerWaalsContact C-N 3.29Å; W598-V600 PolarHBondContact O-N 2.94Å; V600-I602 PolarHBondContact O-N 3.19Å; V600-G603 PolarHBondContact O-N 3.46Å; V600-G604 PolarHBondContact O-N 2.83Å; V600-I612 HydrophobicContact CG1-CG2 3.81Å; V600-E614 HydrophobicContact CG1-CB 4.26Å; V600-Y617 HydrophobicContact CB-CD2 4.45Å; V600-Y617 HydrophobicContact CB-CE2 4.33Å; V600-Y617 HydrophobicContact CG1-CD2 3.62Å; V600-Y617 HydrophobicContact CG1-CE2 3.5Å; V600-Y617 HydrophobicContact CG2-CD2 3.93Å; V600-Y617 HydrophobicContact CG2-CE1 4.38Å; V600-Y617 HydrophobicContact CG2-CE2 3.79Å; V600-Y617 HydrophobicContact CG2-CG 4.3Å
601R91.4Very high89.8Confident81 Ų8140.1 Ų40.131%0.30621%0.207SC..Hα-helixtrans-61.9-42.8178.5-73.1173-172.2150.16.8112.7P344 L597 W598 S605 E614P344-R601 HydrophobicContact CB-CB 4.37Å; L597-R601 WeakPolarHBondContact O-CG 3.34Å; L597-R601 PolarHBondContact O-N 3.47Å; W598-R601 PolarHBondContact O-N 2.83Å; R601-S605 WeakPolarHBondContact O-CB 3.15Å; R601-S605 PolarHBondContact O-N 2.87Å; R601-E614 WeakPolarHBondContact CG-OE2 3.31Å; R601-E614 IonicContact CZ-OE1 3.64Å; R601-E614 IonicContact CZ-OE2 3.32Å; R601-E614 VanDerWaalsContact NE-CD 3.25Å; R601-E614 IonicContact NE-OE1 2.62Å; R601-E614 PolarHBondContact NE-OE1 3.17Å; R601-E614 IonicContact NE-OE2 3.71Å; R601-E614 PolarHBondContact NE-OE2 3.28Å; R601-E614 IonicContact NH2-OE1 2.72Å; R601-E614 PolarHBondContact NH2-OE1 3.41Å; R601-E614 IonicContact NH2-OE2 3.2Å
602I91.3Very high89.6Confident0 Ų040.6 Ų40.60%021%0.209CC..Hα-helixtrans-73.3-41.4179.1-64.2164.1000110.2P344 I345 W525 I552 S553 W598 V600 G604 S605P344-I602 HydrophobicContact CB-CG1 4.32Å; P344-I602 HydrophobicContact CG-CG1 4.24Å; I345-I602 HydrophobicContact CD1-CG2 4.02Å; I345-I602 HydrophobicContact CG1-CD1 3.72Å; I345-I602 HydrophobicContact CG1-CG1 3.75Å; I345-I602 HydrophobicContact CG1-CG2 3.99Å; W525-I602 HydrophobicContact CH2-CB 4.44Å; W525-I602 HydrophobicContact CH2-CD1 4.02Å; W525-I602 HydrophobicContact CZ2-CD1 3.83Å; I552-I602 HydrophobicContact CG2-CG2 4.02Å; S553-I602 WeakPolarHBondContact CB-O 3.36Å; S553-I602 PolarHBondContact OG-O 3.37Å; W598-I602 WeakPolarHBondContact O-CB 3.47Å; W598-I602 WeakPolarHBondContact O-CD1 3.45Å; W598-I602 WeakPolarHBondContact O-CG1 2.99Å; W598-I602 PolarHBondContact O-N 3.23Å; V600-I602 PolarHBondContact O-N 3.19Å; I602-G604 VanDerWaalsContact C-N 3.33Å; I602-G604 PolarHBondContact O-N 3.28Å; I602-S605 WeakPolarHBondContact O-CB 3.33Å; I602-S605 PolarHBondContact O-N 3.42Å; I602-S605 PolarHBondContact O-OG 3.33Å
603G90.4Very high89.3Confident0 Ų046.6 Ų46.60%024%0.235CC..Hα-helixtrans-58.2-43.5174.500000112.1S553 Q557 M599 V600 S605 G609S553-G603 PolarHBondContact OG-O 2.83Å; S553-G603 VanDerWaalsContact OG-O 3.05Å; Q557-G603 PolarHBondContact NE2-O 3.1Å; M599-G603 WeakPolarHBondContact O-CA 3.17Å; M599-G603 PolarHBondContact O-N 3.45Å; V600-G603 PolarHBondContact O-N 3.46Å; G603-S605 VanDerWaalsContact C-N 3.34Å; G603-S605 PolarHBondContact O-N 2.97Å; G603-G609 VanDerWaalsContact O-CA 3.32Å; G603-G609 WeakPolarHBondContact O-CA 3.49Å
604G89.3Confident89.1Confident23 Ų2349 Ų4924%0.23725%0.246CC..THydrogen-bonded Turntrans-78.5-7.717800000115.9V600 I602 T606 G609V600-G604 PolarHBondContact O-N 2.83Å; I602-G604 VanDerWaalsContact C-N 3.33Å; I602-G604 PolarHBondContact O-N 3.28Å; G604-T606 VanDerWaalsContact C-N 3.33Å; G604-T606 PolarHBondContact O-N 3.15Å; G604-G609 WeakPolarHBondContact CA-O 2.9Å
605S86.3Confident89Confident66 Ų6651.4 Ų51.446%0.46226%0.259SS..THydrogen-bonded Turntrans-76.3-16.5-17670.30000114.7R601 I602 G603R601-S605 WeakPolarHBondContact O-CB 3.15Å; R601-S605 PolarHBondContact O-N 2.87Å; I602-S605 WeakPolarHBondContact O-CB 3.33Å; I602-S605 PolarHBondContact O-N 3.42Å; I602-S605 PolarHBondContact O-OG 3.33Å; G603-S605 VanDerWaalsContact C-N 3.34Å; G603-S605 PolarHBondContact O-N 2.97Å
606T85.6Confident89Confident23 Ų2352.9 Ų52.914%0.14127%0.269CS..SBendtrans-101.2157.9-179.656.10000111.7T550 S553 Q557 G604 T608 G609 K610T550-T606 HydrophobicContact CG2-CG2 4.31Å; S553-T606 VanDerWaalsContact CB-CG2 3.45Å; S553-T606 VanDerWaalsContact OG-CG2 3.26Å; S553-T606 WeakPolarHBondContact OG-CG2 3.44Å; S553-T606 PolarHBondContact OG-OG1 3.33Å; Q557-T606 PolarHBondContact NE2-OG1 3.2Å; G604-T606 VanDerWaalsContact C-N 3.33Å; G604-T606 PolarHBondContact O-N 3.15Å; T606-T608 VanDerWaalsContact C-N 3.26Å; T606-T608 PolarHBondContact O-N 3.47Å; T606-T608 PolarHBondContact OG1-OG1 2.85Å; T606-G609 CarbonylContact O-C 3.58Å; T606-G609 WeakPolarHBondContact O-CA 3.48Å; T606-G609 PolarHBondContact O-N 2.85Å; T606-K610 PolarHBondContact O-N 3.04Å
607D81.6Confident88.9Confident124 Ų12453.3 Ų53.366%0.66327%0.271SS*.THydrogen-bonded Turntrans-57.5-37.8-179.4-71.3-40.7000113.2G609 K610D607-G609 VanDerWaalsContact C-N 3.29Å; D607-G609 PolarHBondContact O-N 3.48Å; D607-K610 WeakPolarHBondContact O-CG 3.3Å; D607-K610 WeakPolarHBondContact OD1-CE 3.41Å; D607-K610 IonicContact OD1-NZ 2.84Å; D607-K610 PolarHBondContact OD1-NZ 2.99Å
608T82.5Confident88.9Confident86 Ų8654.2 Ų54.253%0.52827%0.272SS..THydrogen-bonded Turntrans-67.9-31.3176.7530000112.3Q557 T606 H611Q557-T608 PolarHBondContact NE2-OG1 2.81Å; Q557-T608 VanDerWaalsContact NE2-OG1 3.1Å; T606-T608 VanDerWaalsContact C-N 3.26Å; T606-T608 PolarHBondContact O-N 3.47Å; T606-T608 PolarHBondContact OG1-OG1 2.85Å; T608-H611 PolarHBondContact O-CE1 3.44Å; T608-H611 VanDerWaalsContact O-CE1 3.25Å; T608-H611 PolarHBondContact O-ND1 3.14Å
609G81Confident88.9Confident0 Ų051.3 Ų51.30%026%0.262CS..THydrogen-bonded Turntrans-88.8-1.9-178.300000115.6Q557 G603 G604 T606 D607 H611 I612Q557-G609 VanDerWaalsContact NE2-CA 3.33Å; G603-G609 VanDerWaalsContact O-CA 3.32Å; G603-G609 WeakPolarHBondContact O-CA 3.49Å; G604-G609 WeakPolarHBondContact CA-O 2.9Å; T606-G609 CarbonylContact O-C 3.58Å; T606-G609 WeakPolarHBondContact O-CA 3.48Å; T606-G609 PolarHBondContact O-N 2.85Å; D607-G609 VanDerWaalsContact C-N 3.29Å; D607-G609 PolarHBondContact O-N 3.48Å; G609-H611 PolarHBondContact O-N 3.4Å; G609-I612 WeakPolarHBondContact O-CB 3.34Å; G609-I612 PolarHBondContact O-N 2.93Å
610K82.9Confident88.6Confident132 Ų13258.1 Ų58.157%0.57431%0.306SS*.THydrogen-bonded Turntrans-52.3-21.3-177.7-78.7177177.1164.70115.5T606 D607 I612T606-K610 PolarHBondContact O-N 3.04Å; D607-K610 WeakPolarHBondContact O-CG 3.3Å; D607-K610 WeakPolarHBondContact OD1-CE 3.41Å; D607-K610 IonicContact OD1-NZ 2.84Å; D607-K610 PolarHBondContact OD1-NZ 2.99Å; K610-I612 VanDerWaalsContact C-N 3.27Å
611H87.3Confident88.4Confident90 Ų9063.2 Ų63.242%0.41734%0.338SS..THydrogen-bonded Turntrans-73-19.1176.365.3-85.3000113.2T608 G609T608-H611 PolarHBondContact O-CE1 3.44Å; T608-H611 VanDerWaalsContact O-CE1 3.25Å; T608-H611 PolarHBondContact O-ND1 3.14Å; G609-H611 PolarHBondContact O-N 3.4Å
612I89.3Confident88.3Confident11 Ų1161.8 Ų61.86%0.05635%0.348CS..  trans-89.6109.8176.3-59-176.4000108.3Q557 A560 V600 G609 K610 Y617Q557-I612 HydrophobicContact CB-CD1 3.97Å; Q557-I612 HydrophobicContact CG-CD1 3.78Å; A560-I612 HydrophobicContact CB-CD1 4.14Å; A560-I612 HydrophobicContact CB-CG2 4.39Å; V600-I612 HydrophobicContact CG1-CG2 3.81Å; G609-I612 WeakPolarHBondContact O-CB 3.34Å; G609-I612 PolarHBondContact O-N 2.93Å; K610-I612 VanDerWaalsContact C-N 3.27Å; I612-Y617 HydrophobicContact CG2-CE2 3.89Å
613K89.1Confident88.3Confident127 Ų12766.5 Ų66.555%0.55237%0.37SS*.  trans-112135.9175.8-59.7175.4-176.8172.80110N615 D616 Y617K613-N615 VanDerWaalsContact C-N 3.25Å; K613-N615 PolarHBondContact O-N 2.86Å; K613-D616 WeakPolarHBondContact O-CB 3.22Å; K613-D616 PolarHBondContact O-N 3.18Å; K613-D616 VanDerWaalsContact O-N 3.1Å; K613-Y617 VanDerWaalsContact O-CD2 3.31Å; K613-Y617 WeakPolarHBondContact O-CD2 3.28Å; K613-Y617 WeakPolarHBondContact O-CE2 3.39Å
614E90.5Very high88.3Confident51 Ų5169.2 Ų69.224%0.23838%0.382CS..G310 helixtrans-57.1-39.9179.3-173.9173.2172.700112.4L597 V600 R601 D616 Y617 Y618L597-E614 HydrophobicContact CD2-CG 4.11Å; V600-E614 HydrophobicContact CG1-CB 4.26Å; R601-E614 WeakPolarHBondContact CG-OE2 3.31Å; R601-E614 IonicContact CZ-OE1 3.64Å; R601-E614 IonicContact CZ-OE2 3.32Å; R601-E614 VanDerWaalsContact NE-CD 3.25Å; R601-E614 IonicContact NE-OE1 2.62Å; R601-E614 PolarHBondContact NE-OE1 3.17Å; R601-E614 IonicContact NE-OE2 3.71Å; R601-E614 PolarHBondContact NE-OE2 3.28Å; R601-E614 IonicContact NH2-OE1 2.72Å; R601-E614 PolarHBondContact NH2-OE1 3.41Å; R601-E614 IonicContact NH2-OE2 3.2Å; E614-D616 PolarHBondContact O-N 3.47Å; E614-D616 VanDerWaalsContact O-N 3.16Å; E614-Y617 PolarHBondContact O-N 3.29Å; E614-Y617 VanDerWaalsContact O-N 3.14Å; E614-Y618 HydrophobicContact CG-CE2 3.86Å; E614-Y618 PolarHBondContact OE1-OH 2.9Å
615N91.4Very high88.5Confident125 Ų12571.6 Ų71.667%0.66838%0.384SS*.G310 helixtrans-60.6-25.3179.2-68.4-9.2000113.9K613 Y617 Y618K613-N615 VanDerWaalsContact C-N 3.25Å; K613-N615 PolarHBondContact O-N 2.86Å; N615-Y617 PolarHBondContact O-N 3.28Å; N615-Y618 PolarHBondContact O-N 3.33Å
616D92.5Very high88.7Confident70 Ų7068.6 Ų68.637%0.37436%0.363SS..G310 helixtrans-72.1-19-178.1-61.6-15.6000111.6K613 E614 S631 V633K613-D616 WeakPolarHBondContact O-CB 3.22Å; K613-D616 PolarHBondContact O-N 3.18Å; K613-D616 VanDerWaalsContact O-N 3.1Å; E614-D616 PolarHBondContact O-N 3.47Å; E614-D616 VanDerWaalsContact O-N 3.16Å; D616-S631 WeakPolarHBondContact O-CB 3.22Å; D616-S631 PolarHBondContact O-OG 2.71Å; D616-V633 HydrophobicContact CB-CG1 4.45Å; D616-V633 HydrophobicContact CB-CG2 4.38Å; D616-V633 WeakPolarHBondContact O-CB 3.3Å
617Y93Very high89Confident8 Ų868.7 Ų68.73%0.03136%0.362CS..G310 helixtrans-92.7-6.9178.4-60.4-86000113.4A560 F596 V600 I612 K613 E614 N615 V633 L634 C637A560-Y617 PolarHBondContact O-OH 3.14Å; F596-Y617 AromaticContact CE1-CD1 3.54Å; F596-Y617 HydrophobicContact CE1-CD1 3.54Å; F596-Y617 AromaticContact CE1-CE1 3.83Å; F596-Y617 HydrophobicContact CE1-CE1 3.83Å; F596-Y617 HydrophobicContact CE1-CG 4.09Å; F596-Y617 AromaticContact CZ-CD1 3.9Å; F596-Y617 HydrophobicContact CZ-CD1 3.9Å; F596-Y617 AromaticContact CZ-CE1 3.68Å; F596-Y617 HydrophobicContact CZ-CE1 3.68Å; V600-Y617 HydrophobicContact CB-CD2 4.45Å; V600-Y617 HydrophobicContact CB-CE2 4.33Å; V600-Y617 HydrophobicContact CG1-CD2 3.62Å; V600-Y617 HydrophobicContact CG1-CE2 3.5Å; V600-Y617 HydrophobicContact CG2-CD2 3.93Å; V600-Y617 HydrophobicContact CG2-CE1 4.38Å; V600-Y617 HydrophobicContact CG2-CE2 3.79Å; V600-Y617 HydrophobicContact CG2-CG 4.3Å; I612-Y617 HydrophobicContact CG2-CE2 3.89Å; K613-Y617 VanDerWaalsContact O-CD2 3.31Å; K613-Y617 WeakPolarHBondContact O-CD2 3.28Å; K613-Y617 WeakPolarHBondContact O-CE2 3.39Å; E614-Y617 PolarHBondContact O-N 3.29Å; E614-Y617 VanDerWaalsContact O-N 3.14Å; N615-Y617 PolarHBondContact O-N 3.28Å; Y617-V633 HydrophobicContact CD1-CG1 4.29Å; Y617-V633 HydrophobicContact CE1-CG1 3.89Å; Y617-L634 HydrophobicContact CD1-CB 4.16Å; Y617-L634 HydrophobicContact CD1-CD1 4.23Å; Y617-C637 HydrophobicContact CE1-CB 4.38Å
618Y92.7Very high89.4Confident51 Ų5171.4 Ų71.420%0.236%0.363CS..SBendtrans-89.6154.1174.4-63.4-43.2000111.4L597 E614 N615 E623 F624L597-Y618 HydrophobicContact CD1-CE1 4.4Å; L597-Y618 HydrophobicContact CD2-CE1 3.71Å; L597-Y618 WeakPolarHBondContact CD2-OH 3.49Å; E614-Y618 HydrophobicContact CG-CE2 3.86Å; E614-Y618 PolarHBondContact OE1-OH 2.9Å; N615-Y618 PolarHBondContact O-N 3.33Å; Y618-E623 WeakPolarHBondContact CA-O 3.2Å; Y618-F624 HydrophobicContact CD1-CB 3.98Å; Y618-F624 HydrophobicContact CD1-CD2 4.42Å; Y618-F624 HydrophobicContact CE1-CB 3.92Å; Y618-F624 HydrophobicContact CE1-CD2 4.41Å
619T90.8Very high89.8Confident9 Ų973.2 Ų73.26%0.05537%0.366CS..  trans-61.9163.3165.163.70000110.1T621 G622 E623 R625 E629T619-T621 PolarHBondContact O-N 3.48Å; T619-T621 PolarHBondContact OG1-N 2.96Å; T619-T621 PolarHBondContact OG1-OG1 3.35Å; T619-G622 PolarHBondContact O-N 2.9Å; T619-G622 PolarHBondContact OG1-N 3.22Å; T619-E623 WeakPolarHBondContact CG2-O 3.39Å; T619-E623 PolarHBondContact N-O 2.9Å; T619-E623 PolarHBondContact OG1-N 3.4Å; T619-E623 PolarHBondContact OG1-O 3.27Å; T619-R625 HydrophobicContact CG2-CB 4.17Å; T619-R625 HydrophobicContact CG2-CG 4.27Å; T619-E629 WeakPolarHBondContact CG2-O 3.47Å
620P88Confident90.2Very high142 Ų14273.5 Ų73.592%0.92237%0.369SS*.THydrogen-bonded Turntrans-56.6-19.9171.9-26.235.6000114.3
621T89.2Confident90.7Very high109 Ų10967.7 Ų67.767%0.66935%0.345SS*.THydrogen-bonded Turntrans-83.2-8.317454.50000113.7T619T619-T621 PolarHBondContact O-N 3.48Å; T619-T621 PolarHBondContact OG1-N 2.96Å; T619-T621 PolarHBondContact OG1-OG1 3.35Å
622G89.4Confident90.9Very high50 Ų5067.6 Ų67.652%0.51535%0.352SS..SBendtrans88.217-179.100000114.5T619T619-G622 PolarHBondContact O-N 2.9Å; T619-G622 PolarHBondContact OG1-N 3.22Å
623E90.8Very high91.1Very high100 Ų10070.2 Ų70.247%0.46737%0.368SS..  trans-99146.2-179.1-62176.3166.300111.2Y618 T619 R625Y618-E623 WeakPolarHBondContact CA-O 3.2Å; T619-E623 WeakPolarHBondContact CG2-O 3.39Å; T619-E623 PolarHBondContact N-O 2.9Å; T619-E623 PolarHBondContact OG1-N 3.4Å; T619-E623 PolarHBondContact OG1-O 3.27Å; E623-R625 HydrophobicContact CB-CG 4.11Å; E623-R625 WeakPolarHBondContact OE2-CD 3.34Å; E623-R625 IonicContact OE2-NH1 3.87Å
624F92.2Very high91.3Very high56 Ų5664.2 Ų64.225%0.24634%0.342CS..  trans-92.2106.5170.7-175-106.5000109.5I593 F596 L597 Y618 L634I593-F624 HydrophobicContact CG2-CE1 4.33Å; F596-F624 AromaticContact CD1-CE2 4Å; F596-F624 HydrophobicContact CD1-CE2 4Å; F596-F624 HydrophobicContact CD1-CZ 4.02Å; L597-F624 HydrophobicContact CD1-CB 4.49Å; L597-F624 HydrophobicContact CD1-CD2 4.35Å; L597-F624 HydrophobicContact CD1-CG 4.21Å; L597-F624 HydrophobicContact CD2-CD2 4.34Å; L597-F624 HydrophobicContact CG-CD2 4.36Å; L597-F624 HydrophobicContact CG-CE2 4.44Å; Y618-F624 HydrophobicContact CD1-CB 3.98Å; Y618-F624 HydrophobicContact CD1-CD2 4.42Å; Y618-F624 HydrophobicContact CE1-CB 3.92Å; Y618-F624 HydrophobicContact CE1-CD2 4.41Å; F624-L634 HydrophobicContact CD2-CD2 4.12Å; F624-L634 HydrophobicContact CE2-CD1 3.87Å; F624-L634 HydrophobicContact CE2-CD2 3.57Å; F624-L634 HydrophobicContact CE2-CG 4.37Å; F624-L634 HydrophobicContact CZ-CD1 4.11Å; F624-L634 HydrophobicContact CZ-CD2 3.97Å
625R91.7Very high91.4Very high73 Ų7362.9 Ų62.928%0.27534%0.337SS..  trans-128.7141-176.2-64.6-17869.7171.3-11.2111.4T619 E623 D627 E629 G630 L634T619-R625 HydrophobicContact CG2-CB 4.17Å; T619-R625 HydrophobicContact CG2-CG 4.27Å; E623-R625 HydrophobicContact CB-CG 4.11Å; E623-R625 WeakPolarHBondContact OE2-CD 3.34Å; E623-R625 IonicContact OE2-NH1 3.87Å; R625-D627 IonicContact CZ-OD1 3.96Å; R625-D627 IonicContact CZ-OD2 2.9Å; R625-D627 IonicContact NE-OD1 2.69Å; R625-D627 PolarHBondContact NE-OD1 3.19Å; R625-D627 IonicContact NE-OD2 3.79Å; R625-D627 PolarHBondContact NE-OD2 3.39Å; R625-D627 IonicContact NH2-OD1 3.21Å; R625-D627 IonicContact NH2-OD2 2.66Å; R625-D627 PolarHBondContact NH2-OD2 3.44Å; R625-E629 IonicContact CZ-OE2 2.87Å; R625-E629 IonicContact NE-OE2 3.44Å; R625-E629 IonicContact NH1-OE2 2.63Å; R625-E629 PolarHBondContact NH1-OE2 3Å; R625-E629 IonicContact NH2-OE2 3.45Å; R625-E629 PolarHBondContact NH2-OE2 3.17Å; R625-G630 VanDerWaalsContact O-CA 3.22Å; R625-G630 WeakPolarHBondContact O-CA 3.4Å; R625-L634 VanDerWaalsContact O-CD2 3.26Å; R625-L634 WeakPolarHBondContact O-CD2 3.44Å
626V91.9Very high91.4Very high4 Ų460.7 Ų60.72%0.02433%0.325CS..  trans-102.1-2.7178.8-64.50000113I593 Y640 Y644 R664 A666 G669I593-V626 HydrophobicContact CG2-CG1 4.18Å; V626-Y640 HydrophobicContact CB-CE2 4.23Å; V626-Y644 HydrophobicContact CB-CE2 4.34Å; V626-Y644 HydrophobicContact CG1-CE2 4.33Å; V626-R664 HydrophobicContact CG1-CG 4.46Å; V626-R664 HydrophobicContact CG2-CB 3.82Å; V626-R664 HydrophobicContact CG2-CG 4.01Å; V626-A666 HydrophobicContact CG2-CB 4.19Å; V626-G669 PolarHBondContact O-N 2.87Å
627D91.3Very high91.4Very high24 Ų2457.4 Ų57.413%0.12831%0.307CS..SBendtrans-81.9-170.7177.859.125.2000111.7R625 E629 G630 A666 E667R625-D627 IonicContact CZ-OD1 3.96Å; R625-D627 IonicContact CZ-OD2 2.9Å; R625-D627 IonicContact NE-OD1 2.69Å; R625-D627 PolarHBondContact NE-OD1 3.19Å; R625-D627 IonicContact NE-OD2 3.79Å; R625-D627 PolarHBondContact NE-OD2 3.39Å; R625-D627 IonicContact NH2-OD1 3.21Å; R625-D627 IonicContact NH2-OD2 2.66Å; R625-D627 PolarHBondContact NH2-OD2 3.44Å; D627-E629 PolarHBondContact O-N 3.24Å; D627-E629 VanDerWaalsContact O-N 3.15Å; D627-E629 WeakPolarHBondContact OD1-CB 3.49Å; D627-E629 PolarHBondContact OD1-N 2.61Å; D627-G630 PolarHBondContact O-N 2.63Å; D627-G630 PolarHBondContact OD1-N 2.95Å; D627-A666 HydrophobicContact CB-CB 4.35Å; D627-E667 VanDerWaalsContact CA-O 3.26Å; D627-E667 WeakPolarHBondContact CA-O 3.21Å; D627-E667 VanDerWaalsContact CB-O 3.25Å; D627-E667 WeakPolarHBondContact CB-O 3.28Å
628R89.8Confident91.5Very high182 Ų18257 Ų5769%0.68731%0.306SS*.THydrogen-bonded Turntrans-61.7-20-179.6-66.1-176.5179.7169.82.4113.6G630 G669R628-G630 VanDerWaalsContact C-N 3.33Å; R628-G669 VanDerWaalsContact N-CA 3.28Å
629E90.7Very high91.6Very high124 Ų12454.6 Ų54.658%0.57930%0.296SS*.THydrogen-bonded Turntrans-88-7177.6-62.6177.5-17100112T619 R625 D627T619-E629 WeakPolarHBondContact CG2-O 3.47Å; R625-E629 IonicContact CZ-OE2 2.87Å; R625-E629 IonicContact NE-OE2 3.44Å; R625-E629 IonicContact NH1-OE2 2.63Å; R625-E629 PolarHBondContact NH1-OE2 3Å; R625-E629 IonicContact NH2-OE2 3.45Å; R625-E629 PolarHBondContact NH2-OE2 3.17Å; D627-E629 PolarHBondContact O-N 3.24Å; D627-E629 VanDerWaalsContact O-N 3.15Å; D627-E629 WeakPolarHBondContact OD1-CB 3.49Å; D627-E629 PolarHBondContact OD1-N 2.61Å
630G89.9Confident91.8Very high6 Ų654.1 Ų54.16%0.06229%0.294CS..SBendtrans-56.9154.1174.100000112.9R625 D627 R628 L635R625-G630 VanDerWaalsContact O-CA 3.22Å; R625-G630 WeakPolarHBondContact O-CA 3.4Å; D627-G630 PolarHBondContact O-N 2.63Å; D627-G630 PolarHBondContact OD1-N 2.95Å; R628-G630 VanDerWaalsContact C-N 3.33Å; G630-L635 WeakPolarHBondContact O-CD1 3.35Å
631S93Very high92.2Very high10 Ų1048.7 Ų48.77%0.0726%0.255CS..  trans-57.9136.2178.2173.40000110.9D616 V633 L634 L635D616-S631 WeakPolarHBondContact O-CB 3.22Å; D616-S631 PolarHBondContact O-OG 2.71Å; S631-V633 PolarHBondContact O-N 3.04Å; S631-V633 VanDerWaalsContact O-N 3.14Å; S631-V633 PolarHBondContact OG-N 3.4Å; S631-L634 WeakPolarHBondContact O-CB 3.42Å; S631-L634 PolarHBondContact O-N 2.93Å; S631-L635 PolarHBondContact O-N 2.88Å
632P91.9Very high92.4Very high88 Ų8843.5 Ų43.557%0.57122%0.224SC*.Hα-helixtrans-60.4-23.317425.8-34.7000112.4N636P632-N636 WeakPolarHBondContact O-CB 3.28Å; P632-N636 PolarHBondContact O-N 3.05Å; P632-N636 PolarHBondContact O-ND2 3.37Å
633V92.8Very high92.7Very high65 Ų6541.1 Ų41.139%0.39420%0.199SC..Hα-helixtrans-70-41.6174.2-176.30000110.5D616 Y617 S631 C637D616-V633 HydrophobicContact CB-CG1 4.45Å; D616-V633 HydrophobicContact CB-CG2 4.38Å; D616-V633 WeakPolarHBondContact O-CB 3.3Å; Y617-V633 HydrophobicContact CD1-CG1 4.29Å; Y617-V633 HydrophobicContact CE1-CG1 3.89Å; S631-V633 PolarHBondContact O-N 3.04Å; S631-V633 VanDerWaalsContact O-N 3.14Å; S631-V633 PolarHBondContact OG-N 3.4Å; V633-C637 PolarHBondContact O-N 3.13Å; V633-C637 VanDerWaalsContact O-N 3.13Å
634L93.2Very high92.9Very high1 Ų136.4 Ų36.41%0.00518%0.177CC..Hα-helixtrans-67.7-46.6175.6177.464.9000111.4F596 Y617 F624 R625 S631 N636 C637 Y640F596-L634 HydrophobicContact CD1-CD1 3.97Å; F596-L634 HydrophobicContact CE1-CD1 3.57Å; F596-L634 HydrophobicContact CZ-CD1 4.24Å; Y617-L634 HydrophobicContact CD1-CB 4.16Å; Y617-L634 HydrophobicContact CD1-CD1 4.23Å; F624-L634 HydrophobicContact CD2-CD2 4.12Å; F624-L634 HydrophobicContact CE2-CD1 3.87Å; F624-L634 HydrophobicContact CE2-CD2 3.57Å; F624-L634 HydrophobicContact CE2-CG 4.37Å; F624-L634 HydrophobicContact CZ-CD1 4.11Å; F624-L634 HydrophobicContact CZ-CD2 3.97Å; R625-L634 VanDerWaalsContact O-CD2 3.26Å; R625-L634 WeakPolarHBondContact O-CD2 3.44Å; S631-L634 WeakPolarHBondContact O-CB 3.42Å; S631-L634 PolarHBondContact O-N 2.93Å; L634-N636 PolarHBondContact O-N 3.22Å; L634-N636 VanDerWaalsContact O-N 3.15Å; L634-C637 PolarHBondContact O-N 3.17Å; L634-C637 VanDerWaalsContact O-N 3.09Å; L634-C637 PolarHBondContact O-SG 3.03Å; L634-Y640 HydrophobicContact CG-CD2 4.45Å; L634-Y640 WeakPolarHBondContact O-CB 3.46Å
635L92.3Very high93Very high24 Ų2435 Ų3513%0.12617%0.17CC..Hα-helixtrans-62.2-22.8-179.2-70.5160.9000113.2G630 S631 Y640 N670G630-L635 WeakPolarHBondContact O-CD1 3.35Å; S631-L635 PolarHBondContact O-N 2.88Å; L635-Y640 HydrophobicContact CD2-CE1 4.11Å; L635-Y640 HydrophobicContact CD2-CE2 3.9Å; L635-Y640 WeakPolarHBondContact O-CD1 3.43Å; L635-N670 HydrophobicContact CD2-CB 4.2Å
636N92.5Very high93Very high78 Ų7837.5 Ų37.542%0.41718%0.18SC..THydrogen-bonded Turntrans-104.60.8177.8-70.3-50000114P632 L634P632-N636 WeakPolarHBondContact O-CB 3.28Å; P632-N636 PolarHBondContact O-N 3.05Å; P632-N636 PolarHBondContact O-ND2 3.37Å; L634-N636 PolarHBondContact O-N 3.22Å; L634-N636 VanDerWaalsContact O-N 3.15Å
637C93.3Very high93.1Very high1 Ų137.3 Ų37.31%0.00718%0.179CC..SBendtrans-73.3151.9178.983.10000111.2F596 Y617 V633 L634 M639 Y640 K641F596-C637 HydrophobicContact CZ-CB 4.37Å; Y617-C637 HydrophobicContact CE1-CB 4.38Å; V633-C637 PolarHBondContact O-N 3.13Å; V633-C637 VanDerWaalsContact O-N 3.13Å; L634-C637 PolarHBondContact O-N 3.17Å; L634-C637 VanDerWaalsContact O-N 3.09Å; L634-C637 PolarHBondContact O-SG 3.03Å; C637-M639 VanDerWaalsContact C-N 3.33Å; C637-M639 PolarHBondContact O-N 3.48Å; C637-Y640 PolarHBondContact O-N 2.86Å; C637-Y640 VanDerWaalsContact SG-CB 3.5Å; C637-Y640 PolarHBondContact SG-N 2.96Å; C637-K641 PolarHBondContact O-N 2.83Å
638L94.8Very high93Very high0 Ų036.4 Ų36.40%018%0.175CC..Hα-helixtrans-59.6-43.8-177.7-172.573.4000111.4S561 E563 A566 M570 Y640 K641 M642 L678S561-L638 PolarHBondContact O-N 3.18Å; E563-L638 HydrophobicContact CB-CD1 4.34Å; E563-L638 HydrophobicContact CG-CD1 4.12Å; A566-L638 HydrophobicContact CB-CB 4.2Å; A566-L638 HydrophobicContact CB-CD2 3.6Å; A566-L638 HydrophobicContact CB-CG 4.3Å; M570-L638 HydrophobicContact CE-CD2 4.2Å; M570-L638 HydrophobicContact SD-CD2 4.47Å; L638-Y640 PolarHBondContact O-N 2.97Å; L638-K641 PolarHBondContact O-N 3.15Å; L638-M642 HydrophobicContact CD1-CG 4.37Å; L638-M642 HydrophobicContact CD2-CE 3.85Å; L638-M642 HydrophobicContact CD2-SD 4.14Å; L638-M642 HydrophobicContact CG-CE 3.8Å; L638-M642 HydrophobicContact CG-CG 4.16Å; L638-M642 HydrophobicContact CG-SD 4.05Å; L638-M642 WeakPolarHBondContact O-CB 3.39Å; L638-M642 VanDerWaalsContact O-CG 3.3Å; L638-M642 WeakPolarHBondContact O-CG 3.45Å; L638-M642 PolarHBondContact O-N 2.67Å; L638-L678 HydrophobicContact CD1-CD1 3.82Å; L638-L678 HydrophobicContact CD2-CD1 4.48Å; L638-L678 HydrophobicContact CG-CD1 4.47Å
639M94.8Very high93Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-59.2-46.6179.3-176.56071.500112.5M559 V580 D592 I593 F596 M599 C637 K641 M642 C643M559-M639 HydrophobicContact CB-CE 3.92Å; M559-M639 HydrophobicContact CE-CE 4.4Å; M559-M639 HydrophobicContact CG-CE 3.84Å; M559-M639 WeakPolarHBondContact O-CB 3.44Å; M559-M639 PolarHBondContact O-N 2.87Å; M559-M639 HydrophobicContact SD-CE 3.59Å; M559-M639 VanDerWaalsContact SD-CE 3.59Å; V580-M639 HydrophobicContact CB-SD 4.34Å; V580-M639 HydrophobicContact CG1-CE 4.16Å; V580-M639 HydrophobicContact CG1-SD 3.88Å; D592-M639 HydrophobicContact CB-CE 4.05Å; D592-M639 HydrophobicContact CB-SD 3.85Å; I593-M639 HydrophobicContact CD1-CG 3.95Å; F596-M639 HydrophobicContact CD2-CB 3.78Å; F596-M639 HydrophobicContact CD2-CG 3.77Å; F596-M639 HydrophobicContact CE2-CB 3.67Å; F596-M639 HydrophobicContact CE2-CG 4.21Å; M599-M639 HydrophobicContact CE-CE 3.93Å; M599-M639 HydrophobicContact SD-CE 3.65Å; C637-M639 VanDerWaalsContact C-N 3.33Å; C637-M639 PolarHBondContact O-N 3.48Å; M639-K641 PolarHBondContact O-N 3.06Å; M639-M642 PolarHBondContact O-N 2.8Å; M639-M642 HydrophobicContact SD-CE 4.47Å; M639-C643 WeakPolarHBondContact O-CB 3.44Å; M639-C643 PolarHBondContact O-N 3.42Å; M639-C643 PolarHBondContact O-SG 3.16Å; M639-C643 VanDerWaalsContact SD-SG 3.65Å
640Y94.7Very high92.9Very high0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-60.5-47.7177.2-179.7-79.8000110.4V626 L634 L635 C637 L638 M642 C643 Y644 G669 N670 F673V626-Y640 HydrophobicContact CB-CE2 4.23Å; L634-Y640 HydrophobicContact CG-CD2 4.45Å; L634-Y640 WeakPolarHBondContact O-CB 3.46Å; L635-Y640 HydrophobicContact CD2-CE1 4.11Å; L635-Y640 HydrophobicContact CD2-CE2 3.9Å; L635-Y640 WeakPolarHBondContact O-CD1 3.43Å; C637-Y640 PolarHBondContact O-N 2.86Å; C637-Y640 VanDerWaalsContact SG-CB 3.5Å; C637-Y640 PolarHBondContact SG-N 2.96Å; L638-Y640 PolarHBondContact O-N 2.97Å; Y640-M642 PolarHBondContact O-N 2.87Å; Y640-C643 PolarHBondContact O-N 2.69Å; Y640-Y644 HydrophobicContact CD1-CD2 4.1Å; Y640-Y644 AromaticContact CD2-CD2 3.53Å; Y640-Y644 HydrophobicContact CD2-CD2 3.53Å; Y640-Y644 AromaticContact CD2-CE2 3.62Å; Y640-Y644 HydrophobicContact CD2-CE2 3.62Å; Y640-Y644 AromaticContact CE1-CD2 3.95Å; Y640-Y644 HydrophobicContact CE1-CD2 3.95Å; Y640-Y644 AromaticContact CE2-CD2 3.39Å; Y640-Y644 HydrophobicContact CE2-CD2 3.39Å; Y640-Y644 AromaticContact CE2-CE2 3.44Å; Y640-Y644 HydrophobicContact CE2-CE2 3.44Å; Y640-Y644 VanDerWaalsContact CE2-CE2 3.44Å; Y640-Y644 HydrophobicContact CE2-CG 4.48Å; Y640-Y644 AromaticContact CG-CD2 3.87Å; Y640-Y644 HydrophobicContact CG-CD2 3.87Å; Y640-Y644 HydrophobicContact CG-CE2 4.38Å; Y640-Y644 AromaticContact CZ-CD2 3.59Å; Y640-Y644 WeakPolarHBondContact O-CB 3.1Å; Y640-Y644 WeakPolarHBondContact O-CD2 3.49Å; Y640-Y644 PolarHBondContact O-N 3.17Å; Y640-G669 PolarHBondContact OH-N 3.48Å; Y640-N670 HydrophobicContact CE1-CB 4.13Å; Y640-N670 PolarHBondContact OH-N 2.86Å; Y640-F673 HydrophobicContact CE1-CE1 4.41Å
641K94.9Very high92.8Very high28 Ų2837.2 Ų37.212%0.12218%0.181CC..Hα-helixtrans-60.3-45.2178.7-72.8-166.5-178.5-167.70112E563 C637 L638 M639 Y645 F673 L675E563-K641 IonicContact OE2-NZ 3.19Å; E563-K641 PolarHBondContact OE2-NZ 3.18Å; C637-K641 PolarHBondContact O-N 2.83Å; L638-K641 PolarHBondContact O-N 3.15Å; M639-K641 PolarHBondContact O-N 3.06Å; K641-Y645 WeakPolarHBondContact O-CB 3.24Å; K641-Y645 PolarHBondContact O-N 3.33Å; K641-F673 VanDerWaalsContact CA-CE2 3.44Å; K641-F673 HydrophobicContact CB-CD2 4.18Å; K641-F673 HydrophobicContact CB-CE2 3.58Å; K641-F673 HydrophobicContact CB-CZ 4.17Å; K641-F673 HydrophobicContact CD-CD2 4.23Å; K641-F673 HydrophobicContact CD-CE2 4.46Å; K641-F673 HydrophobicContact CG-CD2 3.99Å; K641-F673 HydrophobicContact CG-CE2 3.85Å; K641-F673 HydrophobicContact CG-CZ 4.44Å; K641-F673 WeakPolarHBondContact O-CE2 3.33Å; K641-F673 WeakPolarHBondContact O-CZ 3.45Å; K641-L675 HydrophobicContact CB-CD2 3.81Å; K641-L675 HydrophobicContact CD-CD2 4.16Å
642M95Very high92.3Very high0 Ų037.1 Ų37.10%018%0.18CC..Hα-helixtrans-64-52.6178.1-69.9-170.9-63.300111.2M559 V578 V580 L638 M639 Y640 Y644 L678 Y692M559-M642 HydrophobicContact SD-CE 3.54Å; M559-M642 VanDerWaalsContact SD-CE 3.54Å; V578-M642 HydrophobicContact CB-SD 4.21Å; V578-M642 HydrophobicContact CG1-CE 3.99Å; V578-M642 HydrophobicContact CG1-SD 3.68Å; V580-M642 HydrophobicContact CG1-CB 4.29Å; V580-M642 HydrophobicContact CG1-CE 3.51Å; V580-M642 HydrophobicContact CG1-SD 4.04Å; V580-M642 HydrophobicContact CG2-CB 4.16Å; L638-M642 HydrophobicContact CD1-CG 4.37Å; L638-M642 HydrophobicContact CD2-CE 3.85Å; L638-M642 HydrophobicContact CD2-SD 4.14Å; L638-M642 HydrophobicContact CG-CE 3.8Å; L638-M642 HydrophobicContact CG-CG 4.16Å; L638-M642 HydrophobicContact CG-SD 4.05Å; L638-M642 WeakPolarHBondContact O-CB 3.39Å; L638-M642 VanDerWaalsContact O-CG 3.3Å; L638-M642 WeakPolarHBondContact O-CG 3.45Å; L638-M642 PolarHBondContact O-N 2.67Å; M639-M642 PolarHBondContact O-N 2.8Å; M639-M642 HydrophobicContact SD-CE 4.47Å; Y640-M642 PolarHBondContact O-N 2.87Å; M642-Y644 PolarHBondContact O-N 2.76Å; M642-L678 HydrophobicContact CG-CD1 3.76Å; M642-L678 HydrophobicContact SD-CD1 3.56Å; M642-L678 VanDerWaalsContact SD-CD1 3.56Å; M642-Y692 HydrophobicContact CB-CD2 4.17Å; M642-Y692 HydrophobicContact CB-CE2 3.83Å; M642-Y692 HydrophobicContact CG-CD2 4.13Å; M642-Y692 HydrophobicContact CG-CE2 4.25Å; M642-Y692 PolarHBondContact O-OH 3.44Å; M642-Y692 HydrophobicContact SD-CD2 4.15Å
643C94.5Very high91.8Very high0 Ų036.3 Ų36.30%017%0.169CC..Hα-helixtrans-61.6-42.1-177.2-70.90000113F582 I593 M639 Y640 R690F582-C643 HydrophobicContact CB-CB 4.41Å; F582-C643 HydrophobicContact CD2-CB 3.86Å; F582-C643 HydrophobicContact CG-CB 4.36Å; I593-C643 HydrophobicContact CD1-CB 4.01Å; I593-C643 HydrophobicContact CG1-CB 4.02Å; M639-C643 WeakPolarHBondContact O-CB 3.44Å; M639-C643 PolarHBondContact O-N 3.42Å; M639-C643 PolarHBondContact O-SG 3.16Å; M639-C643 VanDerWaalsContact SD-SG 3.65Å; Y640-C643 PolarHBondContact O-N 2.69Å; C643-R690 PolarHBondContact O-NH1 3.07Å
644Y94.9Very high91.1Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-97.17.1-173.5-66.6-62000115.3F582 I593 V626 Y640 M642 R646 F647 D661 R664 I668F582-Y644 AromaticContact CE2-CD1 3.75Å; F582-Y644 HydrophobicContact CE2-CD1 3.75Å; F582-Y644 AromaticContact CE2-CE1 3.51Å; F582-Y644 HydrophobicContact CE2-CE1 3.51Å; F582-Y644 AromaticContact CZ-CD1 3.95Å; F582-Y644 HydrophobicContact CZ-CD1 3.95Å; F582-Y644 AromaticContact CZ-CE1 3.92Å; F582-Y644 HydrophobicContact CZ-CE1 3.92Å; I593-Y644 HydrophobicContact CD1-CE2 4.43Å; V626-Y644 HydrophobicContact CB-CE2 4.34Å; V626-Y644 HydrophobicContact CG1-CE2 4.33Å; Y640-Y644 HydrophobicContact CD1-CD2 4.1Å; Y640-Y644 AromaticContact CD2-CD2 3.53Å; Y640-Y644 HydrophobicContact CD2-CD2 3.53Å; Y640-Y644 AromaticContact CD2-CE2 3.62Å; Y640-Y644 HydrophobicContact CD2-CE2 3.62Å; Y640-Y644 AromaticContact CE1-CD2 3.95Å; Y640-Y644 HydrophobicContact CE1-CD2 3.95Å; Y640-Y644 AromaticContact CE2-CD2 3.39Å; Y640-Y644 HydrophobicContact CE2-CD2 3.39Å; Y640-Y644 AromaticContact CE2-CE2 3.44Å; Y640-Y644 HydrophobicContact CE2-CE2 3.44Å; Y640-Y644 VanDerWaalsContact CE2-CE2 3.44Å; Y640-Y644 HydrophobicContact CE2-CG 4.48Å; Y640-Y644 AromaticContact CG-CD2 3.87Å; Y640-Y644 HydrophobicContact CG-CD2 3.87Å; Y640-Y644 HydrophobicContact CG-CE2 4.38Å; Y640-Y644 AromaticContact CZ-CD2 3.59Å; Y640-Y644 WeakPolarHBondContact O-CB 3.1Å; Y640-Y644 WeakPolarHBondContact O-CD2 3.49Å; Y640-Y644 PolarHBondContact O-N 3.17Å; M642-Y644 PolarHBondContact O-N 2.76Å; Y644-R646 PolarHBondContact O-N 2.79Å; Y644-F647 HydrophobicContact CD1-CB 4.28Å; Y644-F647 AromaticContact CD1-CD1 3.63Å; Y644-F647 HydrophobicContact CD1-CD1 3.63Å; Y644-F647 HydrophobicContact CD1-CE1 4.27Å; Y644-F647 HydrophobicContact CD1-CG 4.17Å; Y644-F647 HydrophobicContact CE1-CD1 4.04Å; Y644-F647 HydrophobicContact CE1-CE1 4.23Å; Y644-F647 VanDerWaalsContact O-CB 3.27Å; Y644-F647 WeakPolarHBondContact O-CB 3.35Å; Y644-F647 PolarHBondContact O-N 2.97Å; Y644-D661 WeakPolarHBondContact CE1-OD2 3.41Å; Y644-D661 VanDerWaalsContact CZ-OD2 3.3Å; Y644-D661 PolarHBondContact OH-OD2 2.91Å; Y644-R664 VanDerWaalsContact CZ-NH2 3.29Å; Y644-R664 VanDerWaalsContact OH-CZ 3.23Å; Y644-R664 PolarHBondContact OH-NE 3.45Å; Y644-R664 PolarHBondContact OH-NH2 3.09Å; Y644-I668 HydrophobicContact CD1-CG2 3.57Å; Y644-I668 HydrophobicContact CE1-CG2 3.42Å; Y644-I668 VanDerWaalsContact CE1-CG2 3.42Å; Y644-I668 HydrophobicContact CE2-CG2 4.48Å; Y644-I668 HydrophobicContact CG-CG2 4.13Å
645Y94.7Very high90.6Very high28 Ų2848.3 Ų48.311%0.1124%0.237CC..THydrogen-bonded Turntrans-55.6123.7179-176.6-117.5000111.2K641 F647 F673 L675 E680 R690 Y692K641-Y645 WeakPolarHBondContact O-CB 3.24Å; K641-Y645 PolarHBondContact O-N 3.33Å; Y645-F647 PolarHBondContact O-N 3.27Å; Y645-F673 HydrophobicContact CD2-CD2 4.45Å; Y645-F673 HydrophobicContact CD2-CE2 4.01Å; Y645-L675 HydrophobicContact CD1-CD1 4.25Å; Y645-L675 HydrophobicContact CD2-CD1 3.89Å; Y645-L675 HydrophobicContact CD2-CG 3.87Å; Y645-L675 HydrophobicContact CE2-CD1 4.26Å; Y645-L675 HydrophobicContact CE2-CG 4.1Å; Y645-L675 HydrophobicContact CG-CD1 3.88Å; Y645-L675 HydrophobicContact CG-CG 4.37Å; Y645-E680 HydrophobicContact CD1-CB 4.18Å; Y645-E680 HydrophobicContact CE1-CB 3.91Å; Y645-R690 VanDerWaalsContact O-CZ 3.32Å; Y645-R690 PolarHBondContact O-NH1 3.15Å; Y645-R690 PolarHBondContact O-NH2 2.64Å; Y645-Y692 HydrophobicContact CD1-CE1 4.19Å
646R92.6Very high90.4Very high125 Ų12553 Ų5347%0.47225%0.253SS..THydrogen-bonded Turntrans59.54.9-174.9-60.1173.9173.2172.1-9.1116.1Y644 G648 Q649 E680Y644-R646 PolarHBondContact O-N 2.79Å; R646-G648 VanDerWaalsContact C-N 3.26Å; R646-G648 PolarHBondContact O-N 3.02Å; R646-Q649 PolarHBondContact O-N 2.9Å; R646-E680 IonicContact CZ-OE2 2.76Å; R646-E680 IonicContact NH1-OE2 2.73Å; R646-E680 PolarHBondContact NH1-OE2 2.78Å
647F93.1Very high90.1Very high0 Ų051.6 Ų51.60%025%0.248CC..G310 helixtrans-69.5-26.3179.6-172.2-111.7000112.1F582 L585 Y644 Y645 Q649 V650 T652 G659 F660 D661 I668 W687F582-F647 AromaticContact CE1-CD2 3.64Å; F582-F647 HydrophobicContact CE1-CD2 3.64Å; F582-F647 AromaticContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CE2 3.66Å; F582-F647 HydrophobicContact CE1-CG 4.21Å; F582-F647 HydrophobicContact CE1-CZ 4.25Å; F582-F647 HydrophobicContact CZ-CD1 4.07Å; F582-F647 AromaticContact CZ-CD2 3.75Å; F582-F647 HydrophobicContact CZ-CD2 3.75Å; F582-F647 AromaticContact CZ-CE1 3.99Å; F582-F647 HydrophobicContact CZ-CE1 3.99Å; F582-F647 AromaticContact CZ-CE2 3.65Å; F582-F647 HydrophobicContact CZ-CE2 3.65Å; F582-F647 AromaticContact CZ-CG 3.95Å; F582-F647 HydrophobicContact CZ-CG 3.95Å; F582-F647 AromaticContact CZ-CZ 3.77Å; F582-F647 HydrophobicContact CZ-CZ 3.77Å; L585-F647 HydrophobicContact CB-CE2 4.34Å; Y644-F647 HydrophobicContact CD1-CB 4.28Å; Y644-F647 AromaticContact CD1-CD1 3.63Å; Y644-F647 HydrophobicContact CD1-CD1 3.63Å; Y644-F647 HydrophobicContact CD1-CE1 4.27Å; Y644-F647 HydrophobicContact CD1-CG 4.17Å; Y644-F647 HydrophobicContact CE1-CD1 4.04Å; Y644-F647 HydrophobicContact CE1-CE1 4.23Å; Y644-F647 VanDerWaalsContact O-CB 3.27Å; Y644-F647 WeakPolarHBondContact O-CB 3.35Å; Y644-F647 PolarHBondContact O-N 2.97Å; Y645-F647 PolarHBondContact O-N 3.27Å; F647-Q649 PolarHBondContact O-N 3.41Å; F647-V650 HydrophobicContact CD2-CB 4.42Å; F647-V650 PolarHBondContact O-N 3.46Å; F647-T652 HydrophobicContact CE2-CG2 3.75Å; F647-T652 HydrophobicContact CZ-CG2 3.52Å; F647-G659 VanDerWaalsContact O-CA 3.27Å; F647-G659 WeakPolarHBondContact O-CA 3.4Å; F647-F660 WeakPolarHBondContact CZ-O 3.27Å; F647-D661 HydrophobicContact CE1-CB 4.48Å; F647-I668 HydrophobicContact CB-CD1 4.47Å; F647-I668 HydrophobicContact CD1-CD1 4.12Å; F647-I668 HydrophobicContact CD1-CG2 3.97Å; F647-I668 HydrophobicContact CE1-CG2 4.23Å; F647-W687 HydrophobicContact CB-CZ3 4.27Å; F647-W687 HydrophobicContact CD2-CE3 4.06Å; F647-W687 AromaticContact CD2-CZ3 3.96Å; F647-W687 HydrophobicContact CD2-CZ3 3.96Å
648G89.6Confident89.9Confident5 Ų553 Ų535%0.05226%0.257CS..G310 helixtrans-59-17.4176.900000115.3R646 P658R646-G648 VanDerWaalsContact C-N 3.26Å; R646-G648 PolarHBondContact O-N 3.02Å; G648-P658 CarbonylContact O-C 3.47Å; G648-P658 WeakPolarHBondContact O-CB 3.16Å
649Q88.6Confident89.7Confident130 Ų13053 Ų5361%0.60726%0.257SS*.G310 helixtrans-98.9-10.2-179.4-60.1172.47.500112.7R646 F647R646-Q649 PolarHBondContact O-N 2.9Å; F647-Q649 PolarHBondContact O-N 3.41Å
650V89.4Confident89.6Confident34 Ų3453.4 Ų53.421%0.20626%0.259CS..  trans-91132.1-174.8-179.30000111L585 F647 P658 G659 W687L585-V650 HydrophobicContact CD1-CG1 4.27Å; F647-V650 HydrophobicContact CD2-CB 4.42Å; F647-V650 PolarHBondContact O-N 3.46Å; V650-P658 WeakPolarHBondContact O-CA 3.4Å; V650-G659 PolarHBondContact O-N 2.72Å; V650-W687 HydrophobicContact CG2-CH2 3.36Å; V650-W687 HydrophobicContact CG2-CZ2 3.92Å; V650-W687 HydrophobicContact CG2-CZ3 3.8Å
651Y87.1Confident89.4Confident164 Ų16453.4 Ų53.464%0.64326%0.259SS*.  trans-88.2109.3170.6-70.3-89000109.9P658Y651-P658 HydrophobicContact CD1-CB 4.21Å; Y651-P658 HydrophobicContact CD2-CB 4.43Å; Y651-P658 HydrophobicContact CE1-CB 3.97Å; Y651-P658 HydrophobicContact CE1-CG 4.19Å; Y651-P658 HydrophobicContact CE2-CB 4.2Å; Y651-P658 HydrophobicContact CG-CB 4.44Å
652T82.8Confident89.3Confident8 Ų856.7 Ų56.75%0.04927%0.27CS..SBendtrans-84.2-35.3177.458.20000112.4L585 F647 F660 R662L585-T652 HydrophobicContact CD1-CG2 3.66Å; F647-T652 HydrophobicContact CE2-CG2 3.75Å; F647-T652 HydrophobicContact CZ-CG2 3.52Å; T652-F660 WeakPolarHBondContact CB-O 3.27Å; T652-F660 WeakPolarHBondContact CG2-O 3.5Å; T652-F660 PolarHBondContact OG1-O 2.94Å; T652-R662 PolarHBondContact O-NH2 3.31Å
653E81.1Confident89.1Confident72 Ų7258.1 Ų58.134%0.33628%0.279SS..SBendtrans-134.4139.4177-67.9-178.9-175.300110.4K655 R656E653-K655 PolarHBondContact O-N 3.47Å; E653-R656 HydrophobicContact CB-CB 4.02Å; E653-R656 HydrophobicContact CB-CG 3.78Å; E653-R656 HydrophobicContact CG-CG 4.4Å; E653-R656 PolarHBondContact O-N 2.82Å; E653-R656 WeakPolarHBondContact OE2-CG 3.25Å; E653-R656 IonicContact OE2-NE 3.08Å
654A78.7Confident89Confident113 Ų11360.2 Ų60.293%0.93429%0.287SS*.THydrogen-bonded Turntrans-60.4-13.8-175.800000114.9
655K84Confident88.8Confident204 Ų20465.7 Ų65.789%0.88732%0.316SS*.THydrogen-bonded Turntrans-113.7-0.6-179.7-65.1-175.5179.8179.60114.1E653E653-K655 PolarHBondContact O-N 3.47Å
656R86.5Confident88.6Confident123 Ų12365.1 Ų65.146%0.46432%0.317SS..SBendtrans-106.4155-177.3-65.8-65.9-172.3171.83.8110.2E653 F660E653-R656 HydrophobicContact CB-CB 4.02Å; E653-R656 HydrophobicContact CB-CG 3.78Å; E653-R656 HydrophobicContact CG-CG 4.4Å; E653-R656 PolarHBondContact O-N 2.82Å; E653-R656 WeakPolarHBondContact OE2-CG 3.25Å; E653-R656 IonicContact OE2-NE 3.08Å; R656-F660 HydrophobicContact CB-CB 3.79Å; R656-F660 HydrophobicContact CB-CD1 4.02Å; R656-F660 HydrophobicContact CB-CD2 4.16Å; R656-F660 HydrophobicContact CB-CG 3.71Å; R656-F660 HydrophobicContact CG-CD1 3.8Å; R656-F660 HydrophobicContact CG-CD2 4.22Å; R656-F660 HydrophobicContact CG-CE1 4.01Å; R656-F660 HydrophobicContact CG-CE2 4.41Å; R656-F660 HydrophobicContact CG-CG 3.91Å; R656-F660 HydrophobicContact CG-CZ 4.32Å
657P87.1Confident88.6Confident48 Ų4862 Ų6231%0.31231%0.308SS..  trans-60157.7172.926.4-34.5000110.9F660 E667P657-F660 WeakPolarHBondContact O-CB 3.44Å; P657-E667 HydrophobicContact CB-CG 4.5Å; P657-E667 HydrophobicContact CG-CB 4.2Å; P657-E667 HydrophobicContact CG-CG 4.04Å; P657-E667 WeakPolarHBondContact CG-OE2 3.36Å
658P89.5Confident88.6Confident32 Ų3262 Ų6221%0.20831%0.308CS..THydrogen-bonded Turntrans-64.1144.4172.930.4-35.8000109.9G648 V650 Y651 K671G648-P658 CarbonylContact O-C 3.47Å; G648-P658 WeakPolarHBondContact O-CB 3.16Å; V650-P658 WeakPolarHBondContact O-CA 3.4Å; Y651-P658 HydrophobicContact CD1-CB 4.21Å; Y651-P658 HydrophobicContact CD2-CB 4.43Å; Y651-P658 HydrophobicContact CE1-CB 3.97Å; Y651-P658 HydrophobicContact CE1-CG 4.19Å; Y651-P658 HydrophobicContact CE2-CB 4.2Å; Y651-P658 HydrophobicContact CG-CB 4.44Å; P658-K671 PolarHBondContact O-NZ 2.75Å
659G89.5Confident88.5Confident0 Ų062.6 Ų62.60%031%0.314CS..THydrogen-bonded Turntrans76.830.3-172.600000114.4F647 V650 I668F647-G659 VanDerWaalsContact O-CA 3.27Å; F647-G659 WeakPolarHBondContact O-CA 3.4Å; V650-G659 PolarHBondContact O-N 2.72Å; G659-I668 WeakPolarHBondContact O-CG2 3.21Å; G659-I668 PolarHBondContact O-N 2.81Å
660F92.3Very high88.5Confident8 Ų858.5 Ų58.54%0.03530%0.297CS..EExtended strand (participates in β ladder)trans-87.7121.6175.6-175.4-94.6000111.6F647 T652 R656 P657 N665F647-F660 WeakPolarHBondContact CZ-O 3.27Å; T652-F660 WeakPolarHBondContact CB-O 3.27Å; T652-F660 WeakPolarHBondContact CG2-O 3.5Å; T652-F660 PolarHBondContact OG1-O 2.94Å; R656-F660 HydrophobicContact CB-CB 3.79Å; R656-F660 HydrophobicContact CB-CD1 4.02Å; R656-F660 HydrophobicContact CB-CD2 4.16Å; R656-F660 HydrophobicContact CB-CG 3.71Å; R656-F660 HydrophobicContact CG-CD1 3.8Å; R656-F660 HydrophobicContact CG-CD2 4.22Å; R656-F660 HydrophobicContact CG-CE1 4.01Å; R656-F660 HydrophobicContact CG-CE2 4.41Å; R656-F660 HydrophobicContact CG-CG 3.91Å; R656-F660 HydrophobicContact CG-CZ 4.32Å; P657-F660 WeakPolarHBondContact O-CB 3.44Å; F660-N665 HydrophobicContact CZ-CB 4.48Å
661D92.4Very high88.4Confident0 Ų058.8 Ų58.80%030%0.295CS..EExtended strand (participates in β ladder)trans-86.2118.4-179.4-167-49.5000111.9G584 Y644 F647 V663 R664 N665 A666G584-D661 WeakPolarHBondContact CA-OD1 3.31Å; Y644-D661 WeakPolarHBondContact CE1-OD2 3.41Å; Y644-D661 VanDerWaalsContact CZ-OD2 3.3Å; Y644-D661 PolarHBondContact OH-OD2 2.91Å; F647-D661 HydrophobicContact CE1-CB 4.48Å; D661-V663 VanDerWaalsContact C-N 3.33Å; D661-V663 PolarHBondContact O-N 2.78Å; D661-V663 PolarHBondContact OD1-N 2.88Å; D661-R664 HydrophobicContact CB-CB 4.33Å; D661-R664 VanDerWaalsContact CG-CZ 3.45Å; D661-R664 IonicContact OD1-CZ 2.67Å; D661-R664 PolarHBondContact OD1-N 3.49Å; D661-R664 VanDerWaalsContact OD1-N 3.08Å; D661-R664 IonicContact OD1-NE 3.9Å; D661-R664 IonicContact OD1-NH1 3.67Å; D661-R664 PolarHBondContact OD1-NH1 3.24Å; D661-R664 IonicContact OD2-CZ 2.76Å; D661-R664 IonicContact OD2-NE 3.28Å; D661-R664 PolarHBondContact OD2-NE 2.99Å; D661-R664 IonicContact OD2-NH1 3.81Å; D661-R664 PolarHBondContact OD2-NH1 3.31Å; D661-R664 IonicContact OD2-NH2 3.71Å; D661-R664 PolarHBondContact OD2-NH2 2.8Å; D661-N665 VanDerWaalsContact O-CA 3.26Å; D661-N665 WeakPolarHBondContact O-CA 3.4Å; D661-N665 PolarHBondContact O-N 3.33Å; D661-A666 WeakPolarHBondContact CB-O 3.26Å; D661-A666 PolarHBondContact N-O 2.98Å; D661-A666 PolarHBondContact O-N 2.91Å
662R91Very high88.4Confident96 Ų9656.7 Ų56.736%0.36230%0.295SS..THydrogen-bonded Turntrans-71.6-24-177.9-66.5-169.1-178.8168.4-2.6114.2G584 L585 T652G584-R662 WeakPolarHBondContact O-CB 3.36Å; G584-R662 PolarHBondContact O-N 2.79Å; L585-R662 VanDerWaalsContact O-CD 3.25Å; L585-R662 WeakPolarHBondContact O-CD 3.15Å; L585-R662 VanDerWaalsContact O-CZ 3.32Å; L585-R662 PolarHBondContact O-NE 2.9Å; L585-R662 PolarHBondContact O-NH1 2.95Å; L585-R662 VanDerWaalsContact O-NH1 3.11Å; T652-R662 PolarHBondContact O-NH2 3.31Å
663V91.2Very high88.7Confident30 Ų3057.8 Ų57.818%0.18230%0.299CS..THydrogen-bonded Turntrans-84.1-46.2-178.8176.70000109.9G583 G587 Y588 N594 D661G583-V663 WeakPolarHBondContact O-CG2 3.45Å; G587-V663 VanDerWaalsContact C-CG2 3.48Å; Y588-V663 WeakPolarHBondContact O-CG2 3.34Å; N594-V663 WeakPolarHBondContact ND2-CG1 3.37Å; D661-V663 VanDerWaalsContact C-N 3.33Å; D661-V663 PolarHBondContact O-N 2.78Å; D661-V663 PolarHBondContact OD1-N 2.88Å
664R92.3Very high89.1Confident44 Ų4461.5 Ų61.517%0.16632%0.316CS..THydrogen-bonded Turntrans-86.7-8.9-178.1-78.376.480.4-172.913.4112.9D591 V626 Y644 D661 A666D591-R664 IonicContact OD1-NH1 2.68Å; D591-R664 IonicContact OD2-CZ 2.67Å; D591-R664 IonicContact OD2-NH1 3.26Å; D591-R664 PolarHBondContact OD2-NH1 3.43Å; D591-R664 IonicContact OD2-NH2 3.05Å; D591-R664 PolarHBondContact OD2-NH2 2.88Å; V626-R664 HydrophobicContact CG1-CG 4.46Å; V626-R664 HydrophobicContact CG2-CB 3.82Å; V626-R664 HydrophobicContact CG2-CG 4.01Å; Y644-R664 VanDerWaalsContact CZ-NH2 3.29Å; Y644-R664 VanDerWaalsContact OH-CZ 3.23Å; Y644-R664 PolarHBondContact OH-NE 3.45Å; Y644-R664 PolarHBondContact OH-NH2 3.09Å; D661-R664 HydrophobicContact CB-CB 4.33Å; D661-R664 VanDerWaalsContact CG-CZ 3.45Å; D661-R664 IonicContact OD1-CZ 2.67Å; D661-R664 PolarHBondContact OD1-N 3.49Å; D661-R664 VanDerWaalsContact OD1-N 3.08Å; D661-R664 IonicContact OD1-NE 3.9Å; D661-R664 IonicContact OD1-NH1 3.67Å; D661-R664 PolarHBondContact OD1-NH1 3.24Å; D661-R664 IonicContact OD2-CZ 2.76Å; D661-R664 IonicContact OD2-NE 3.28Å; D661-R664 PolarHBondContact OD2-NE 2.99Å; D661-R664 IonicContact OD2-NH1 3.81Å; D661-R664 PolarHBondContact OD2-NH1 3.31Å; D661-R664 IonicContact OD2-NH2 3.71Å; D661-R664 PolarHBondContact OD2-NH2 2.8Å; R664-A666 PolarHBondContact O-N 2.99Å
665N91.1Very high89.7Confident115 Ų11556.5 Ų56.562%0.61527%0.274SS*.THydrogen-bonded Turntrans5337.3-177.3-67.5-61.4000113.3F660 D661F660-N665 HydrophobicContact CZ-CB 4.48Å; D661-N665 VanDerWaalsContact O-CA 3.26Å; D661-N665 WeakPolarHBondContact O-CA 3.4Å; D661-N665 PolarHBondContact O-N 3.33Å
666A91.3Very high90Very high16 Ų1651.3 Ų51.313%0.13226%0.256CS..EExtended strand (participates in β ladder)trans-136.9147.6-173.900000111.3V626 D627 D661 R664V626-A666 HydrophobicContact CG2-CB 4.19Å; D627-A666 HydrophobicContact CB-CB 4.35Å; D661-A666 WeakPolarHBondContact CB-O 3.26Å; D661-A666 PolarHBondContact N-O 2.98Å; D661-A666 PolarHBondContact O-N 2.91Å; R664-A666 PolarHBondContact O-N 2.99Å
667E92.8Very high90.2Very high61 Ų6145.7 Ų45.729%0.28524%0.235SC..EExtended strand (participates in β ladder)trans-77.1129.8167.4-178.5-176.8169.600108.7D627 P657 K671D627-E667 VanDerWaalsContact CA-O 3.26Å; D627-E667 WeakPolarHBondContact CA-O 3.21Å; D627-E667 VanDerWaalsContact CB-O 3.25Å; D627-E667 WeakPolarHBondContact CB-O 3.28Å; P657-E667 HydrophobicContact CB-CG 4.5Å; P657-E667 HydrophobicContact CG-CB 4.2Å; P657-E667 HydrophobicContact CG-CG 4.04Å; P657-E667 WeakPolarHBondContact CG-OE2 3.36Å; E667-K671 WeakPolarHBondContact OE1-CE 3.49Å; E667-K671 IonicContact OE1-NZ 3.97Å; E667-K671 PolarHBondContact OE1-NZ 3.25Å
668I92.2Very high90.5Very high0 Ų043.5 Ų43.50%022%0.221CC..  trans-59.8142.8-178.165.6176000112Y644 F647 G659 N670 K671Y644-I668 HydrophobicContact CD1-CG2 3.57Å; Y644-I668 HydrophobicContact CE1-CG2 3.42Å; Y644-I668 VanDerWaalsContact CE1-CG2 3.42Å; Y644-I668 HydrophobicContact CE2-CG2 4.48Å; Y644-I668 HydrophobicContact CG-CG2 4.13Å; F647-I668 HydrophobicContact CB-CD1 4.47Å; F647-I668 HydrophobicContact CD1-CD1 4.12Å; F647-I668 HydrophobicContact CD1-CG2 3.97Å; F647-I668 HydrophobicContact CE1-CG2 4.23Å; G659-I668 WeakPolarHBondContact O-CG2 3.21Å; G659-I668 PolarHBondContact O-N 2.81Å; I668-N670 WeakPolarHBondContact CD1-O 3.39Å; I668-K671 HydrophobicContact CD1-CG 4.29Å; I668-K671 HydrophobicContact CG1-CG 3.99Å
669G87.8Confident90.7Very high17 Ų1745.6 Ų45.618%0.17523%0.228CC..SBendtrans-69.9-49.6-177.100000113.2V626 R628 Y640V626-G669 PolarHBondContact O-N 2.87Å; R628-G669 VanDerWaalsContact N-CA 3.28Å; Y640-G669 PolarHBondContact OH-N 3.48Å
670N89.3Confident91Very high44 Ų4448 Ų4824%0.23524%0.239CC..  trans-104.7112.7178.4-168.94.2000110.4L635 Y640 I668 D672 F673L635-N670 HydrophobicContact CD2-CB 4.2Å; Y640-N670 HydrophobicContact CE1-CB 4.13Å; Y640-N670 PolarHBondContact OH-N 2.86Å; I668-N670 WeakPolarHBondContact CD1-O 3.39Å; N670-D672 PolarHBondContact OD1-O 3.25Å; N670-F673 HydrophobicContact CB-CD1 4.4Å
671K85.8Confident91.2Very high40 Ų4049.3 Ų49.317%0.17425%0.251CS..  trans-93-36.9-175.6-67.7-164.5179.6-162.90114.1P658 E667 I668P658-K671 PolarHBondContact O-NZ 2.75Å; E667-K671 WeakPolarHBondContact OE1-CE 3.49Å; E667-K671 IonicContact OE1-NZ 3.97Å; E667-K671 PolarHBondContact OE1-NZ 3.25Å; I668-K671 HydrophobicContact CD1-CG 4.29Å; I668-K671 HydrophobicContact CG1-CG 3.99Å
672D86.6Confident91.4Very high119 Ų11952.1 Ų52.164%0.63626%0.262SS*.  trans-125.5104.5-170.8-63.1-46.6000108.9N670N670-D672 PolarHBondContact OD1-O 3.25Å
673F89.5Confident91.7Very high31 Ų3149 Ų4914%0.13625%0.254CS..  trans-147.3153172.361.2-90.3000109.2Y640 K641 Y645 N670 L675Y640-F673 HydrophobicContact CE1-CE1 4.41Å; K641-F673 VanDerWaalsContact CA-CE2 3.44Å; K641-F673 HydrophobicContact CB-CD2 4.18Å; K641-F673 HydrophobicContact CB-CE2 3.58Å; K641-F673 HydrophobicContact CB-CZ 4.17Å; K641-F673 HydrophobicContact CD-CD2 4.23Å; K641-F673 HydrophobicContact CD-CE2 4.46Å; K641-F673 HydrophobicContact CG-CD2 3.99Å; K641-F673 HydrophobicContact CG-CE2 3.85Å; K641-F673 HydrophobicContact CG-CZ 4.44Å; K641-F673 WeakPolarHBondContact O-CE2 3.33Å; K641-F673 WeakPolarHBondContact O-CZ 3.45Å; Y645-F673 HydrophobicContact CD2-CD2 4.45Å; Y645-F673 HydrophobicContact CD2-CE2 4.01Å; N670-F673 HydrophobicContact CB-CD1 4.4Å; F673-L675 HydrophobicContact CE2-CD2 4.42Å
674E90.3Very high91.9Very high151 Ų15147.6 Ų47.671%0.70625%0.245SC*.  trans-105.3161.1172.8-63.2-163.9163.600110.9
675L91.2Very high91.9Very high8 Ų852.4 Ų52.44%0.04227%0.27CS..  trans-104.1115.8173.9-65.2172.4000108.4K641 Y645 F673 L678 Y692 K695K641-L675 HydrophobicContact CB-CD2 3.81Å; K641-L675 HydrophobicContact CD-CD2 4.16Å; Y645-L675 HydrophobicContact CD1-CD1 4.25Å; Y645-L675 HydrophobicContact CD2-CD1 3.89Å; Y645-L675 HydrophobicContact CD2-CG 3.87Å; Y645-L675 HydrophobicContact CE2-CD1 4.26Å; Y645-L675 HydrophobicContact CE2-CG 4.1Å; Y645-L675 HydrophobicContact CG-CD1 3.88Å; Y645-L675 HydrophobicContact CG-CG 4.37Å; F673-L675 HydrophobicContact CE2-CD2 4.42Å; L675-L678 HydrophobicContact CB-CB 4.25Å; L675-L678 WeakPolarHBondContact CB-O 3.46Å; L675-L678 HydrophobicContact CD1-CB 4.21Å; L675-Y692 HydrophobicContact CD1-CD1 3.76Å; L675-Y692 HydrophobicContact CD1-CE1 3.55Å; L675-K695 PolarHBondContact O-NZ 3.28Å
676D89.9Confident91.9Very high94 Ų9449.1 Ų49.150%0.50325%0.25SS..SBendtrans-80.4-37.4-176.2-65-42.4000112.2E563 K695 R704E563-D676 PolarHBondContact OE1-N 2.81Å; D676-K695 WeakPolarHBondContact O-CD 3.46Å; D676-K695 PolarHBondContact O-NZ 3.32Å; D676-R704 VanDerWaalsContact C-NH1 3.3Å; D676-R704 PolarHBondContact O-NH1 2.72Å
677V90.5Very high92Very high5 Ų551 Ų513%0.0325%0.254CS..SBendtrans-107-16.9-174-49.10000113.3E563 Y567 M570 K695E563-V677 HydrophobicContact CG-CB 4.12Å; E563-V677 HydrophobicContact CG-CG1 3.92Å; E563-V677 HydrophobicContact CG-CG2 3.29Å; E563-V677 WeakPolarHBondContact OE1-CG2 3.41Å; E563-V677 PolarHBondContact OE1-N 3.46Å; Y567-V677 HydrophobicContact CD1-CG1 4.33Å; Y567-V677 HydrophobicContact CD2-CB 3.51Å; Y567-V677 HydrophobicContact CD2-CG1 4.05Å; Y567-V677 HydrophobicContact CD2-CG2 3.84Å; Y567-V677 HydrophobicContact CE2-CB 4.02Å; Y567-V677 HydrophobicContact CG-CB 3.85Å; Y567-V677 HydrophobicContact CG-CG1 3.86Å; Y567-V677 HydrophobicContact CG-CG2 4.21Å; M570-V677 HydrophobicContact CE-CG2 4.15Å; V677-K695 WeakPolarHBondContact O-CB 3.47Å; V677-K695 PolarHBondContact O-N 2.76Å
678L93.5Very high92.1Very high2 Ų248.1 Ų48.11%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-113.3149.2177.9-64.5-177.8000111.1M570 V578 L638 M642 L675 Y692 K693 V694 K695M570-L678 HydrophobicContact CE-CD2 3.94Å; M570-L678 HydrophobicContact CE-CG 4.43Å; M570-L678 HydrophobicContact SD-CD2 4.13Å; V578-L678 HydrophobicContact CG2-CD2 4.27Å; L638-L678 HydrophobicContact CD1-CD1 3.82Å; L638-L678 HydrophobicContact CD2-CD1 4.48Å; L638-L678 HydrophobicContact CG-CD1 4.47Å; M642-L678 HydrophobicContact CG-CD1 3.76Å; M642-L678 HydrophobicContact SD-CD1 3.56Å; M642-L678 VanDerWaalsContact SD-CD1 3.56Å; L675-L678 HydrophobicContact CB-CB 4.25Å; L675-L678 WeakPolarHBondContact CB-O 3.46Å; L675-L678 HydrophobicContact CD1-CB 4.21Å; L678-Y692 HydrophobicContact CB-CD1 4.47Å; L678-Y692 HydrophobicContact CD1-CG 4.46Å; L678-K693 WeakPolarHBondContact CA-O 3.44Å; L678-V694 HydrophobicContact CD2-CB 4.28Å; L678-V694 HydrophobicContact CD2-CG2 3.78Å; L678-K695 VanDerWaalsContact O-CE 3.26Å; L678-K695 WeakPolarHBondContact O-CE 3.43Å; L678-K695 PolarHBondContact O-NZ 2.95Å
679E94.6Very high92.3Very high77 Ų7748.1 Ų48.136%0.3624%0.241SC..EExtended strand (participates in β ladder)trans-120.2138.5167.265.2-174.4177.800110A681 Y692 K693 K695E679-A681 PolarHBondContact O-N 3.35Å; E679-Y692 CarbonylContact O-C 3.5Å; E679-Y692 VanDerWaalsContact O-CA 3.28Å; E679-Y692 WeakPolarHBondContact O-CA 3.45Å; E679-K693 HydrophobicContact CG-CB 3.7Å; E679-K693 HydrophobicContact CG-CG 4.2Å; E679-K693 PolarHBondContact N-O 3.02Å; E679-K693 PolarHBondContact O-N 3.45Å; E679-K693 WeakPolarHBondContact OE1-CD 3.46Å; E679-K693 WeakPolarHBondContact OE1-CE 3.49Å; E679-K693 WeakPolarHBondContact OE1-CG 3.22Å; E679-K693 IonicContact OE1-NZ 3.48Å; E679-K693 PolarHBondContact OE1-NZ 3.21Å; E679-K695 HydrophobicContact CB-CG 4.41Å; E679-K695 HydrophobicContact CG-CG 4.46Å
680E95.9Very high92.7Very high51 Ų5147.3 Ų47.324%0.23823%0.232CC..EExtended strand (participates in β ladder)trans-68.6116174.1-179.8176.2-145.100109Y645 R646 T683 R690 Y692Y645-E680 HydrophobicContact CD1-CB 4.18Å; Y645-E680 HydrophobicContact CE1-CB 3.91Å; R646-E680 IonicContact CZ-OE2 2.76Å; R646-E680 IonicContact NH1-OE2 2.73Å; R646-E680 PolarHBondContact NH1-OE2 2.78Å; E680-T683 PolarHBondContact OE1-OG1 2.83Å; E680-R690 IonicContact OE1-CZ 3.98Å; E680-R690 IonicContact OE1-NE 2.73Å; E680-R690 IonicContact OE1-NH2 3.94Å; E680-R690 PolarHBondContact OE1-NH2 3.49Å; E680-Y692 HydrophobicContact CB-CD1 4.28Å; E680-Y692 HydrophobicContact CB-CE1 3.99Å; E680-Y692 HydrophobicContact CG-CE1 4.37Å
681A95.8Very high93.1Very high35 Ų3545.2 Ų45.229%0.28922%0.221SC..EExtended strand (participates in β ladder)trans-98.5-40.8-176.800000112W511 Y577 E679 I691 K693W511-A681 HydrophobicContact CH2-CB 3.8Å; W511-A681 HydrophobicContact CZ2-CB 4.47Å; Y577-A681 HydrophobicContact CD1-CB 4.48Å; Y577-A681 HydrophobicContact CE1-CB 4.22Å; E679-A681 PolarHBondContact O-N 3.35Å; A681-I691 WeakPolarHBondContact CB-O 3.33Å; A681-I691 PolarHBondContact N-O 3.32Å; A681-K693 HydrophobicContact CB-CB 4.06Å
682Y96.9Very high93.6Very high59 Ų5943.3 Ų43.323%0.23121%0.213CC..EExtended strand (participates in β ladder)trans-153.9141.4175.8-167.1-108.7000111.6E507 W511 T684 I691E507-Y682 HydrophobicContact CG-CE1 4.33Å; E507-Y682 PolarHBondContact OE1-OH 3.23Å; W511-Y682 HydrophobicContact CB-CD1 4.07Å; W511-Y682 HydrophobicContact CB-CE1 4.05Å; W511-Y682 HydrophobicContact CB-CG 4.36Å; W511-Y682 AromaticContact CD1-CD2 3.25Å; W511-Y682 AromaticContact CD1-CE2 3.34Å; W511-Y682 AromaticContact CD1-CG 3.67Å; W511-Y682 AromaticContact CD1-CZ 3.86Å; W511-Y682 HydrophobicContact CD2-CD1 4.15Å; W511-Y682 AromaticContact CD2-CD2 3.97Å; W511-Y682 HydrophobicContact CD2-CD2 3.97Å; W511-Y682 AromaticContact CD2-CG 3.65Å; W511-Y682 HydrophobicContact CD2-CG 3.65Å; W511-Y682 AromaticContact CE2-CD2 3.71Å; W511-Y682 AromaticContact CE2-CG 3.76Å; W511-Y682 HydrophobicContact CE3-CG 4.24Å; W511-Y682 AromaticContact CG-CD1 3.87Å; W511-Y682 HydrophobicContact CG-CD1 3.87Å; W511-Y682 AromaticContact CG-CD2 3.75Å; W511-Y682 HydrophobicContact CG-CD2 3.75Å; W511-Y682 HydrophobicContact CG-CE1 4.14Å; W511-Y682 HydrophobicContact CG-CE2 4Å; W511-Y682 AromaticContact CG-CG 3.66Å; W511-Y682 HydrophobicContact CG-CG 3.66Å; W511-Y682 HydrophobicContact CZ2-CD2 4.49Å; W511-Y682 HydrophobicContact CZ2-CG 4.44Å; W511-Y682 AromaticContact NE1-CD2 3.23Å; W511-Y682 AromaticContact NE1-CE2 3.74Å; W511-Y682 AromaticContact NE1-CG 3.74Å; Y682-T684 HydrophobicContact CD1-CG2 4.5Å; Y682-T684 HydrophobicContact CE1-CG2 4.04Å; Y682-I691 HydrophobicContact CD1-CD1 4.31Å; Y682-I691 PolarHBondContact N-O 3.46Å; Y682-I691 PolarHBondContact O-N 3.28Å
683T96.3Very high94.1Very high29 Ų2941.2 Ų41.218%0.17820%0.198CC..EExtended strand (participates in β ladder)trans-133.9128.7170.5-70.80000107.3E680 W687 R690E680-T683 PolarHBondContact OE1-OG1 2.83Å; T683-W687 HydrophobicContact CG2-CB 4.05Å; T683-W687 HydrophobicContact CG2-CD2 3.93Å; T683-W687 HydrophobicContact CG2-CG 3.57Å; T683-R690 HydrophobicContact CG2-CG 4.2Å; T683-R690 PolarHBondContact OG1-NE 3.25Å
684T95.7Very high94.4Very high2 Ų240.1 Ų40.11%0.01219%0.194CC..  trans-64.7163.8-178.543.80000113.3D504 E507 A508 Y682 H686 W687 L688 V689D504-T684 HydrophobicContact CB-CG2 3.92Å; D504-T684 VanDerWaalsContact O-CG2 3.27Å; D504-T684 WeakPolarHBondContact O-CG2 3.36Å; E507-T684 HydrophobicContact CB-CG2 4.46Å; A508-T684 HydrophobicContact CB-CG2 3.68Å; Y682-T684 HydrophobicContact CD1-CG2 4.5Å; Y682-T684 HydrophobicContact CE1-CG2 4.04Å; T684-H686 VanDerWaalsContact C-N 3.3Å; T684-H686 PolarHBondContact O-N 3.29Å; T684-W687 PolarHBondContact O-N 2.52Å; T684-L688 PolarHBondContact OG1-N 3.03Å; T684-L688 VanDerWaalsContact OG1-N 3.16Å; T684-V689 HydrophobicContact CG2-CB 3.97Å; T684-V689 WeakPolarHBondContact CG2-O 3.39Å; T684-V689 PolarHBondContact N-O 3.37Å; T684-V689 VanDerWaalsContact N-O 3.15Å; T684-V689 PolarHBondContact OG1-N 2.91Å; T684-V689 PolarHBondContact OG1-O 3.44Å
685E93Very high94.5Very high144 Ų14436 Ų3667%0.67317%0.174SC*.THydrogen-bonded Turntrans-50.3-46.6-176.7-175.3176.1-171.400113E507E507-E685 PolarHBondContact OE1-N 3.05Å; E507-E685 PolarHBondContact OE2-N 2.77Å
686H91.2Very high94.4Very high46 Ų4641.6 Ų41.621%0.21320%0.204CC..THydrogen-bonded Turntrans-102.617.2-179.8-43.283.6000113.3F502 D504 T586 T684 L688F502-H686 HydrophobicContact CD1-CB 4.26Å; F502-H686 AromaticContact CD1-CD2 3.7Å; F502-H686 AromaticContact CD1-CE1 3.77Å; F502-H686 AromaticContact CD1-CG 3.61Å; F502-H686 AromaticContact CD1-ND1 3.64Å; F502-H686 AromaticContact CD1-NE2 3.76Å; F502-H686 AromaticContact CE1-CD2 3.6Å; F502-H686 AromaticContact CE1-CG 3.93Å; F502-H686 AromaticContact CE1-NE2 3.81Å; D504-H686 IonicContact OD1-CE1 3.75Å; D504-H686 IonicContact OD1-CG 2.99Å; D504-H686 IonicContact OD1-ND1 3.58Å; D504-H686 PolarHBondContact OD1-ND1 3.42Å; D504-H686 WeakPolarHBondContact OD2-CA 3.49Å; D504-H686 WeakPolarHBondContact OD2-CB 3.36Å; D504-H686 IonicContact OD2-CG 3.02Å; D504-H686 PolarHBondContact OD2-N 3.26Å; D504-H686 IonicContact OD2-ND1 2.94Å; D504-H686 PolarHBondContact OD2-ND1 3.46Å; T586-H686 HydrophobicContact CG2-CB 3.49Å; T586-H686 VanDerWaalsContact CG2-CB 3.49Å; T684-H686 VanDerWaalsContact C-N 3.3Å; T684-H686 PolarHBondContact O-N 3.29Å; H686-L688 PolarHBondContact O-N 3.04Å; H686-L688 VanDerWaalsContact O-N 3.13Å
687W93.6Very high94Very high55 Ų5542.4 Ų42.421%0.20821%0.207CC..SBendtrans58.920.5177.6-65.527.3000113.9F582 L585 F647 V650 T683 T684F582-W687 HydrophobicContact CD1-CB 4.37Å; F582-W687 HydrophobicContact CE1-CE3 4.48Å; L585-W687 HydrophobicContact CB-CB 4.43Å; L585-W687 HydrophobicContact CD2-CB 3.98Å; L585-W687 HydrophobicContact CD2-CD2 4.42Å; L585-W687 HydrophobicContact CD2-CG 3.91Å; F647-W687 HydrophobicContact CB-CZ3 4.27Å; F647-W687 HydrophobicContact CD2-CE3 4.06Å; F647-W687 AromaticContact CD2-CZ3 3.96Å; F647-W687 HydrophobicContact CD2-CZ3 3.96Å; V650-W687 HydrophobicContact CG2-CH2 3.36Å; V650-W687 HydrophobicContact CG2-CZ2 3.92Å; V650-W687 HydrophobicContact CG2-CZ3 3.8Å; T683-W687 HydrophobicContact CG2-CB 4.05Å; T683-W687 HydrophobicContact CG2-CD2 3.93Å; T683-W687 HydrophobicContact CG2-CG 3.57Å; T684-W687 PolarHBondContact O-N 2.52Å
688L93.8Very high93.4Very high1 Ų145.7 Ų45.71%0.00523%0.225CC..SBendtrans-66.5-42178.6-80.8174.8000112.4L490 F502 D504 I581 F582 T586 Y588 T684 H686L490-L688 HydrophobicContact CD1-CD1 4.04Å; F502-L688 HydrophobicContact CB-CD1 4.12Å; D504-L688 HydrophobicContact CB-CB 3.73Å; D504-L688 HydrophobicContact CB-CD1 3.91Å; D504-L688 HydrophobicContact CB-CG 4.33Å; D504-L688 WeakPolarHBondContact OD2-CB 3.14Å; D504-L688 WeakPolarHBondContact OD2-CD1 3.48Å; D504-L688 WeakPolarHBondContact OD2-CG 2.91Å; I581-L688 CarbonylContact C-O 3.6Å; I581-L688 VanDerWaalsContact CA-O 3.3Å; I581-L688 WeakPolarHBondContact CA-O 3.16Å; I581-L688 WeakPolarHBondContact CG2-O 3.37Å; F582-L688 PolarHBondContact N-O 3.06Å; F582-L688 VanDerWaalsContact O-CA 3.31Å; F582-L688 WeakPolarHBondContact O-CA 3.39Å; T586-L688 HydrophobicContact CG2-CD2 4.23Å; T586-L688 HydrophobicContact CG2-CG 4.09Å; T586-L688 WeakPolarHBondContact OG1-CD2 3.33Å; Y588-L688 HydrophobicContact CD1-CD2 4.2Å; Y588-L688 HydrophobicContact CG-CD2 4.05Å; T684-L688 PolarHBondContact OG1-N 3.03Å; T684-L688 VanDerWaalsContact OG1-N 3.16Å; H686-L688 PolarHBondContact O-N 3.04Å; H686-L688 VanDerWaalsContact O-N 3.13Å
689V96.1Very high92.7Very high0 Ų053.9 Ų53.90%027%0.269CS..EExtended strand (participates in β ladder)trans-119.9130178.2-173.70000109.2F505 A508 L579 T684F505-V689 HydrophobicContact CD1-CG2 4.09Å; F505-V689 HydrophobicContact CE1-CG2 4.38Å; F505-V689 HydrophobicContact CG-CG2 4.42Å; A508-V689 HydrophobicContact CB-CB 3.69Å; A508-V689 HydrophobicContact CB-CG1 3.51Å; A508-V689 HydrophobicContact CB-CG2 4.27Å; L579-V689 HydrophobicContact CD1-CG1 3.81Å; L579-V689 HydrophobicContact CD2-CG1 4.08Å; L579-V689 HydrophobicContact CG-CG1 3.78Å; T684-V689 HydrophobicContact CG2-CB 3.97Å; T684-V689 WeakPolarHBondContact CG2-O 3.39Å; T684-V689 PolarHBondContact N-O 3.37Å; T684-V689 VanDerWaalsContact N-O 3.15Å; T684-V689 PolarHBondContact OG1-N 2.91Å; T684-V689 PolarHBondContact OG1-O 3.44Å
690R97.1Very high91.9Very high0 Ų060.1 Ų60.10%029%0.289CS..EExtended strand (participates in β ladder)trans-123.4135.1177.9-49.8-170.874.7172-1109.7V580 C643 Y645 E680 T683 Y692V580-R690 HydrophobicContact CG2-CB 3.94Å; V580-R690 PolarHBondContact N-O 3.4Å; V580-R690 PolarHBondContact O-N 2.94Å; C643-R690 PolarHBondContact O-NH1 3.07Å; Y645-R690 VanDerWaalsContact O-CZ 3.32Å; Y645-R690 PolarHBondContact O-NH1 3.15Å; Y645-R690 PolarHBondContact O-NH2 2.64Å; E680-R690 IonicContact OE1-CZ 3.98Å; E680-R690 IonicContact OE1-NE 2.73Å; E680-R690 IonicContact OE1-NH2 3.94Å; E680-R690 PolarHBondContact OE1-NH2 3.49Å; T683-R690 HydrophobicContact CG2-CG 4.2Å; T683-R690 PolarHBondContact OG1-NE 3.25Å; R690-Y692 HydrophobicContact CB-CE2 3.74Å; R690-Y692 PolarHBondContact NE-OH 3.02Å; R690-Y692 VanDerWaalsContact NE-OH 3.09Å; R690-Y692 PolarHBondContact NH2-OH 2.9Å
691I97.5Very high90.6Very high0 Ų061.9 Ų61.90%032%0.321CS..EExtended strand (participates in β ladder)trans-121.9122.5-177.4-58.3161.8000108.5A508 W511 L512 Y577 V578 L579 A681 Y682A508-I691 HydrophobicContact CB-CD1 4.14Å; W511-I691 HydrophobicContact CE3-CD1 3.67Å; W511-I691 HydrophobicContact CZ3-CB 4.43Å; W511-I691 HydrophobicContact CZ3-CD1 4.06Å; W511-I691 HydrophobicContact CZ3-CG2 3.94Å; L512-I691 HydrophobicContact CD1-CD1 4Å; L512-I691 HydrophobicContact CD2-CD1 4.1Å; L512-I691 HydrophobicContact CD2-CG2 4.07Å; L512-I691 HydrophobicContact CG-CD1 3.67Å; Y577-I691 HydrophobicContact CD1-CG2 3.95Å; Y577-I691 HydrophobicContact CG-CG2 4.49Å; V578-I691 WeakPolarHBondContact O-CA 3.25Å; L579-I691 HydrophobicContact CD1-CG1 4.3Å; L579-I691 HydrophobicContact CG-CG1 4.42Å; A681-I691 WeakPolarHBondContact CB-O 3.33Å; A681-I691 PolarHBondContact N-O 3.32Å; Y682-I691 HydrophobicContact CD1-CD1 4.31Å; Y682-I691 PolarHBondContact N-O 3.46Å; Y682-I691 PolarHBondContact O-N 3.28Å
692Y97.4Very high88.8Confident0 Ų066.8 Ų66.80%034%0.342CS..EExtended strand (participates in β ladder)trans-108.2145.2176.5-63.8-87.3000109.8Y577 V578 V580 M642 Y645 L675 L678 E679 E680 R690Y577-Y692 CarbonylContact C-O 3.45Å; Y577-Y692 WeakPolarHBondContact CA-O 3.34Å; V578-Y692 PolarHBondContact N-O 3.27Å; V578-Y692 PolarHBondContact O-N 3.1Å; V580-Y692 HydrophobicContact CG2-CD2 4.34Å; V580-Y692 HydrophobicContact CG2-CE2 3.87Å; M642-Y692 HydrophobicContact CB-CD2 4.17Å; M642-Y692 HydrophobicContact CB-CE2 3.83Å; M642-Y692 HydrophobicContact CG-CD2 4.13Å; M642-Y692 HydrophobicContact CG-CE2 4.25Å; M642-Y692 PolarHBondContact O-OH 3.44Å; M642-Y692 HydrophobicContact SD-CD2 4.15Å; Y645-Y692 HydrophobicContact CD1-CE1 4.19Å; L675-Y692 HydrophobicContact CD1-CD1 3.76Å; L675-Y692 HydrophobicContact CD1-CE1 3.55Å; L678-Y692 HydrophobicContact CB-CD1 4.47Å; L678-Y692 HydrophobicContact CD1-CG 4.46Å; E679-Y692 CarbonylContact O-C 3.5Å; E679-Y692 VanDerWaalsContact O-CA 3.28Å; E679-Y692 WeakPolarHBondContact O-CA 3.45Å; E680-Y692 HydrophobicContact CB-CD1 4.28Å; E680-Y692 HydrophobicContact CB-CE1 3.99Å; E680-Y692 HydrophobicContact CG-CE1 4.37Å; R690-Y692 HydrophobicContact CB-CE2 3.74Å; R690-Y692 PolarHBondContact NE-OH 3.02Å; R690-Y692 VanDerWaalsContact NE-OH 3.09Å; R690-Y692 PolarHBondContact NH2-OH 2.9Å
693K96.6Very high86.7Confident75 Ų7568.7 Ų68.733%0.32636%0.364SS..EExtended strand (participates in β ladder)trans-102.7136.6171173.9164.5164.3-112.40109.3Y577 L678 E679 A681Y577-K693 HydrophobicContact CD1-CB 3.86Å; Y577-K693 HydrophobicContact CD1-CG 4.41Å; Y577-K693 HydrophobicContact CE1-CB 3.72Å; Y577-K693 HydrophobicContact CE1-CD 3.88Å; Y577-K693 HydrophobicContact CE1-CG 4.03Å; L678-K693 WeakPolarHBondContact CA-O 3.44Å; E679-K693 HydrophobicContact CG-CB 3.7Å; E679-K693 HydrophobicContact CG-CG 4.2Å; E679-K693 PolarHBondContact N-O 3.02Å; E679-K693 PolarHBondContact O-N 3.45Å; E679-K693 WeakPolarHBondContact OE1-CD 3.46Å; E679-K693 WeakPolarHBondContact OE1-CE 3.49Å; E679-K693 WeakPolarHBondContact OE1-CG 3.22Å; E679-K693 IonicContact OE1-NZ 3.48Å; E679-K693 PolarHBondContact OE1-NZ 3.21Å; A681-K693 HydrophobicContact CB-CB 4.06Å
694V95.3Very high84.6Confident9 Ų972.7 Ų72.76%0.05538%0.375CS..EExtended strand (participates in β ladder)trans-77.7123176-1770000108.1Y567 M570 V575 S576 V578 L678Y567-V694 HydrophobicContact CD2-CG1 4Å; Y567-V694 HydrophobicContact CE2-CG1 3.62Å; M570-V694 HydrophobicContact SD-CG2 3.86Å; V575-V694 HydrophobicContact CB-CG2 4.38Å; V575-V694 HydrophobicContact CG1-CG2 3.91Å; S576-V694 PolarHBondContact O-N 2.89Å; V578-V694 HydrophobicContact CG2-CG2 3.99Å; L678-V694 HydrophobicContact CD2-CB 4.28Å; L678-V694 HydrophobicContact CD2-CG2 3.78Å
695K92.8Very high81.9Confident65 Ų6580.6 Ų80.628%0.28342%0.424SS..PPolyproline II helixtrans-69.6147.8178.3-66.5173.9-177.7162.20110.4Y567 L675 D676 V677 L678 E679Y567-K695 WeakPolarHBondContact CE2-O 3.46Å; Y567-K695 PolarHBondContact OH-O 3.37Å; L675-K695 PolarHBondContact O-NZ 3.28Å; D676-K695 WeakPolarHBondContact O-CD 3.46Å; D676-K695 PolarHBondContact O-NZ 3.32Å; V677-K695 WeakPolarHBondContact O-CB 3.47Å; V677-K695 PolarHBondContact O-N 2.76Å; L678-K695 VanDerWaalsContact O-CE 3.26Å; L678-K695 WeakPolarHBondContact O-CE 3.43Å; L678-K695 PolarHBondContact O-NZ 2.95Å; E679-K695 HydrophobicContact CB-CG 4.41Å; E679-K695 HydrophobicContact CG-CG 4.46Å
696D88.3Confident81.3Confident124 Ų12477.5 Ų77.566%0.66341%0.412SS*.PPolyproline II helixtrans-64.3161.4169.5-69.1-46.9000111.1Y567 R571Y567-D696 PolarHBondContact OH-O 3.43Å; R571-D696 IonicContact NH1-OD1 3.9Å
697L81.4Confident80.8Confident111 Ų11179.1 Ų79.158%0.58142%0.422SS*.PPolyproline II helixtrans-56.9143173.7-73.7166.1000109.5Y567 N699Y567-L697 HydrophobicContact CE1-CD2 3.93Å; Y567-L697 PolarHBondContact OH-N 2.93Å; L697-N699 PolarHBondContact O-N 2.73Å
698D79.4Confident80.1Confident75 Ų7580.4 Ų80.440%0.40143%0.434SS..PPolyproline II helixtrans-54.4131.6175.1-72.1-32.9000109.8R700 R704D698-R700 WeakPolarHBondContact CB-O 3.29Å; D698-R700 PolarHBondContact O-N 2.62Å; D698-R704 IonicContact OD1-CZ 2.67Å; D698-R704 IonicContact OD1-NH2 3.5Å; D698-R704 PolarHBondContact OD1-NH2 3.25Å; D698-R704 IonicContact OD2-CZ 3.37Å; D698-R704 IonicContact OD2-NE 2.86Å; D698-R704 PolarHBondContact OD2-NE 3.34Å; D698-R704 IonicContact OD2-NH2 3.41Å; D698-R704 PolarHBondContact OD2-NH2 2.75Å
699N78.7Confident79.3Confident174 Ų17485.1 Ų85.193%0.9346%0.459SS*.SBendtrans-56.1-15-179.4-76.1-36.5000113.5L697L697-N699 PolarHBondContact O-N 2.73Å
700R77.7Confident78.2Confident208 Ų20890.4 Ų90.479%0.78549%0.488SS*.SBendtrans-130.7128.3172.6-63-178.7178.5-179-0.6107.8D698 L702D698-R700 WeakPolarHBondContact CB-O 3.29Å; D698-R700 PolarHBondContact O-N 2.62Å; R700-L702 PolarHBondContact O-N 3.48Å
701G68.1Low76.9Confident88 Ų8896.5 Ų96.591%0.90752%0.52SS*.  trans-7058.8-176.600000114.8S703G701-S703 PolarHBondContact O-N 2.72Å
702L58Low75.5Confident138 Ų138103.4 Ų103.472%0.72356%0.558SS**  trans-69.5113.9163.4-73.2163.4000106.8R700 R704R700-L702 PolarHBondContact O-N 3.48Å; L702-R704 PolarHBondContact O-N 3.45Å
703S52Low73.8Confident99 Ų99111.3 Ų111.369%0.69260%0.6SS**  trans-59.4109.4171.154.50000108.1G701 T705G701-S703 PolarHBondContact O-N 2.72Å; S703-T705 PolarHBondContact O-N 2.86Å
704R53.3Low71.9Confident112 Ų112114.3 Ų114.342%0.42362%0.623SS.*  trans-68.7108.4167.2-62.2-178.5-177.8-166.5-1.3106D676 D698 L702D676-R704 VanDerWaalsContact C-NH1 3.3Å; D676-R704 PolarHBondContact O-NH1 2.72Å; D698-R704 IonicContact OD1-CZ 2.67Å; D698-R704 IonicContact OD1-NH2 3.5Å; D698-R704 PolarHBondContact OD1-NH2 3.25Å; D698-R704 IonicContact OD2-CZ 3.37Å; D698-R704 IonicContact OD2-NE 2.86Å; D698-R704 PolarHBondContact OD2-NE 3.34Å; D698-R704 IonicContact OD2-NH2 3.41Å; D698-R704 PolarHBondContact OD2-NH2 2.75Å; L702-R704 PolarHBondContact O-N 3.45Å
705T37.7Very low69.8Low169 Ų169123.9 Ų123.9100%1.03768%0.675SS**  trans-112.60175.848.70000110.2S703S703-T705 PolarHBondContact O-N 2.86Å

Retrieved 705 of 705 residues in 667.1 ms (Link to these results)