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Pituitary adenylate cyclase-activating polypeptide type I receptor

G protein-coupled receptor activated by the neuropeptide pituitary adenylate cyclase-activating polypeptide (ADCYAP1/PACAP). Binds both PACAP27 and PACAP38 bioactive peptides. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of downstream effectors. Activates cAMP-dependent pathway. May regulate the release of adrenocorticotropin, luteinizing hormone, growth hormone, prolactin, epinephrine, and catecholamine. May play a role in spermatogenesis and sperm motility. Causes smooth muscle relaxation and secretion in the gastrointestinal tract.

AlphaFold DB (P41586), UniProt , Accession A0A090N8F8, Species HUMAN (Homo sapiens, Human), Gene ADCYAP1R1, Length 468 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
1M47.3Very low49.6Very low106 Ų10662.6 Ų62.652%0.52240%0.402SS..  0-81.10-49.5-146.9-52.500109.3G3 V4 V5 M190M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.03Å; M1-G3 VanDerWaalsContact O-N 3.1Å; M1-V4 PolarHBondContact O-N 2.95Å; M1-V5 PolarHBondContact O-N 2.85Å; M1-M190 HydrophobicContact CE-CE 4.03Å
2A38.1Very low50Low65 Ų6558.8 Ų58.854%0.53738%0.376SS..Hα-helixtrans-41.9-51.7-178.600000115.2V4 V5 H6A2-V4 VanDerWaalsContact C-N 3.3Å; A2-V4 PolarHBondContact O-N 3.29Å; A2-V5 PolarHBondContact O-N 3.05Å; A2-H6 PolarHBondContact O-CD2 3.17Å; A2-H6 PolarHBondContact O-N 3.13Å
3G39.6Very low50.3Low49 Ų4964.5 Ų64.551%0.50540%0.401SS..Hα-helixtrans-58.6-31.5-178.900000115.8M1 V7M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.03Å; M1-G3 VanDerWaalsContact O-N 3.1Å; G3-V7 WeakPolarHBondContact O-CB 3.21Å; G3-V7 WeakPolarHBondContact O-CG2 3.39Å; G3-V7 PolarHBondContact O-N 3.29Å; G3-V7 VanDerWaalsContact O-N 3.08Å
4V51.1Low50.3Low58 Ų5870.3 Ų70.335%0.35243%0.426SS..Hα-helixtrans-74-45.9177.7179.90000110.1M1 A2 H6 V7 S8 W274M1-V4 PolarHBondContact O-N 2.95Å; A2-V4 VanDerWaalsContact C-N 3.3Å; A2-V4 PolarHBondContact O-N 3.29Å; V4-H6 PolarHBondContact O-N 3.34Å; V4-V7 PolarHBondContact O-N 3.47Å; V4-S8 PolarHBondContact O-N 3.11Å; V4-W274 HydrophobicContact CG1-CB 4.43Å
5V51.5Low50.4Low25 Ų2568.7 Ų68.715%0.15241%0.414CS..Hα-helixtrans-62.6-42.6178.2179.20000110.9M1 A2 L9 W274M1-V5 PolarHBondContact O-N 2.85Å; A2-V5 PolarHBondContact O-N 3.05Å; V5-L9 HydrophobicContact CG1-CD1 3.87Å; V5-L9 WeakPolarHBondContact O-CB 3.4Å; V5-L9 VanDerWaalsContact O-CG 3.31Å; V5-L9 WeakPolarHBondContact O-CG 3.41Å; V5-L9 PolarHBondContact O-N 3.4Å; V5-W274 HydrophobicContact CG2-CZ2 4.41Å
6H51.2Low49.9Very low131 Ų13172.1 Ų72.161%0.60644%0.438SS*.Hα-helixtrans-66.3-36.9175.4-75.3-61.8000113.2A2 V4 A10A2-H6 PolarHBondContact O-CD2 3.17Å; A2-H6 PolarHBondContact O-N 3.13Å; V4-H6 PolarHBondContact O-N 3.34Å; H6-A10 WeakPolarHBondContact O-CB 3.5Å; H6-A10 PolarHBondContact O-N 3.29Å
7V52.6Low49.9Very low102 Ų10269.4 Ų69.462%0.61842%0.42SS*.Hα-helixtrans-69.7-44.1177.91670000111.6G3 V4 L9 A10 A11G3-V7 WeakPolarHBondContact O-CB 3.21Å; G3-V7 WeakPolarHBondContact O-CG2 3.39Å; G3-V7 PolarHBondContact O-N 3.29Å; G3-V7 VanDerWaalsContact O-N 3.08Å; V4-V7 PolarHBondContact O-N 3.47Å; V7-L9 PolarHBondContact O-N 3.15Å; V7-A10 PolarHBondContact O-N 3.28Å; V7-A11 WeakPolarHBondContact O-CB 3.45Å; V7-A11 PolarHBondContact O-N 3.29Å
8S53.1Low49.6Very low15 Ų1568.1 Ų68.111%0.10542%0.417CS..Hα-helixtrans-60.6-45.1174.3-770000112.1V4 A11 L12 T278V4-S8 PolarHBondContact O-N 3.11Å; S8-A11 PolarHBondContact O-N 3.23Å; S8-L12 WeakPolarHBondContact O-CG 3.48Å; S8-L12 PolarHBondContact O-N 3.21Å; S8-L12 VanDerWaalsContact O-N 3.11Å; S8-T278 PolarHBondContact OG-OG1 3.14Å
9L55.7Low49.3Very low38 Ų3869.9 Ų69.920%0.19943%0.431CS..Hα-helixtrans-68.4-40.6179.1-70.1171.5000112.5V5 V7 A11 L12 L13 F232 Y235V5-L9 HydrophobicContact CG1-CD1 3.87Å; V5-L9 WeakPolarHBondContact O-CB 3.4Å; V5-L9 VanDerWaalsContact O-CG 3.31Å; V5-L9 WeakPolarHBondContact O-CG 3.41Å; V5-L9 PolarHBondContact O-N 3.4Å; V7-L9 PolarHBondContact O-N 3.15Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.19Å; L9-L12 PolarHBondContact O-N 3.45Å; L9-L13 WeakPolarHBondContact O-CB 3.3Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.26Å; L9-F232 HydrophobicContact CD2-CD2 3.64Å; L9-F232 HydrophobicContact CD2-CE2 3.67Å; L9-Y235 HydrophobicContact CD2-CD1 4.12Å; L9-Y235 HydrophobicContact CD2-CE1 4.05Å
10A53.7Low49.1Very low49 Ų4967.9 Ų67.941%0.40542%0.422SS..Hα-helixtrans-65.9-35.417600000112.3H6 V7 L13 L14H6-A10 WeakPolarHBondContact O-CB 3.5Å; H6-A10 PolarHBondContact O-N 3.29Å; V7-A10 PolarHBondContact O-N 3.28Å; A10-L13 PolarHBondContact O-N 2.97Å; A10-L14 WeakPolarHBondContact O-CD1 3.37Å; A10-L14 VanDerWaalsContact O-CG 3.27Å; A10-L14 WeakPolarHBondContact O-CG 3.43Å; A10-L14 PolarHBondContact O-N 3.4Å
11A51.8Low48.9Very low51 Ų5168.5 Ų68.542%0.42142%0.42SS..Hα-helixtrans-66.6-41.1175.200000112.2V7 S8 L9 L13 L14V7-A11 WeakPolarHBondContact O-CB 3.45Å; V7-A11 PolarHBondContact O-N 3.29Å; S8-A11 PolarHBondContact O-N 3.23Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.19Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L14 PolarHBondContact O-N 3.25Å
12L54.2Low48.8Very low16 Ų1665.2 Ų65.28%0.08440%0.404CS..Hα-helixtrans-64.6-37.1174.8-75.5160.5000112.2S8 L9 L14 V231 Y235 V281 T282S8-L12 WeakPolarHBondContact O-CG 3.48Å; S8-L12 PolarHBondContact O-N 3.21Å; S8-L12 VanDerWaalsContact O-N 3.11Å; L9-L12 PolarHBondContact O-N 3.45Å; L12-L14 PolarHBondContact O-N 3.01Å; L12-V231 HydrophobicContact CD2-CG1 3.82Å; L12-Y235 HydrophobicContact CD1-CD1 4.3Å; L12-Y235 HydrophobicContact CD1-CD2 3.93Å; L12-Y235 HydrophobicContact CD1-CE2 4.4Å; L12-Y235 HydrophobicContact CD1-CG 3.86Å; L12-V281 HydrophobicContact CD2-CG1 4.33Å; L12-T282 HydrophobicContact CD2-CG2 3.63Å
13L54.7Low49.2Very low134 Ų13464 Ų6470%0.70239%0.392SS*.THydrogen-bonded Turntrans-73.8-5176.8-71.7168000114.7L9 A10 A11L9-L13 WeakPolarHBondContact O-CB 3.3Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 3.26Å; A10-L13 PolarHBondContact O-N 2.97Å; A11-L13 VanDerWaalsContact C-N 3.34Å
14L50Low49.7Very low145 Ų14567.1 Ų67.176%0.75940%0.396SS*.THydrogen-bonded Turntrans-101.84.1179.7-75.4169.2000113.8A10 A11 L12A10-L14 WeakPolarHBondContact O-CD1 3.37Å; A10-L14 VanDerWaalsContact O-CG 3.27Å; A10-L14 WeakPolarHBondContact O-CG 3.43Å; A10-L14 PolarHBondContact O-N 3.4Å; A11-L14 PolarHBondContact O-N 3.25Å; L12-L14 PolarHBondContact O-N 3.01Å
15L51Low50.1Low46 Ų4664.5 Ų64.524%0.24138%0.381CS..SBendtrans-71.6124.9171-76.5165.8000110.2M17 T282 T286L15-M17 HydrophobicContact CB-CG 4.05Å; L15-M17 HydrophobicContact CB-SD 4.39Å; L15-M17 VanDerWaalsContact O-CG 3.31Å; L15-M17 WeakPolarHBondContact O-CG 3.33Å; L15-M17 PolarHBondContact O-N 3.07Å; L15-T282 HydrophobicContact CD1-CG2 4.46Å; L15-T286 HydrophobicContact CD2-CG2 4.27Å
16P43Very low50.6Low123 Ų12365.5 Ų65.580%0.79939%0.385SS*.  trans-76.194177.630.6-33.3000109.9
17M49.6Very low51.3Low26 Ų2662.3 Ų62.313%0.12837%0.369CS..PPolyproline II helixtrans-96.3137.1-174.5-48.7-140-58.400111.7L15 V224 K227 A228 V231 L289 W297L15-M17 HydrophobicContact CB-CG 4.05Å; L15-M17 HydrophobicContact CB-SD 4.39Å; L15-M17 VanDerWaalsContact O-CG 3.31Å; L15-M17 WeakPolarHBondContact O-CG 3.33Å; L15-M17 PolarHBondContact O-N 3.07Å; M17-V224 HydrophobicContact CB-CG1 4.35Å; M17-V224 WeakPolarHBondContact O-CG2 3.37Å; M17-K227 HydrophobicContact CE-CB 3.6Å; M17-A228 HydrophobicContact CE-CB 4.3Å; M17-V231 HydrophobicContact CE-CG2 4.2Å; M17-V231 HydrophobicContact SD-CG2 4.49Å; M17-L289 HydrophobicContact CB-CD2 4.04Å; M17-L289 HydrophobicContact CG-CD1 4.15Å; M17-L289 HydrophobicContact CG-CD2 4.42Å; M17-L289 HydrophobicContact SD-CD1 4.08Å; M17-W297 HydrophobicContact CE-CH2 4.02Å; M17-W297 HydrophobicContact CE-CZ3 4.2Å; M17-W297 HydrophobicContact SD-CH2 3.55Å; M17-W297 VanDerWaalsContact SD-CH2 3.55Å; M17-W297 HydrophobicContact SD-CZ3 4.04Å
18A44.2Very low52Low46 Ų4664.5 Ų64.538%0.3837%0.37SS..PPolyproline II helixtrans-90.8157.9-17500000113.2K227A18-K227 PolarHBondContact O-NZ 3.44Å
19P43.8Very low52.9Low103 Ų10368 Ų6867%0.66938%0.384SS*.PPolyproline II helixtrans-92.9158.7-176.936-36.1000115.3
20A45.4Very low53.8Low30 Ų3068.8 Ų68.825%0.24839%0.386CS..  trans-134.2-172.2167.500000108.7S222A20-S222 VanDerWaalsContact CA-CB 3.47Å; A20-S222 WeakPolarHBondContact CB-OG 3.46Å; A20-S222 PolarHBondContact N-O 2.82Å; A20-S222 WeakPolarHBondContact O-CB 3.33Å
21M45.2Very low55.2Low80 Ų8070 Ų7039%0.39438%0.384SS..  cis88.771.59.6-40-86.755.500118C25 K29 S222M21-C25 HydrophobicContact CE-CB 4.03Å; M21-K29 HydrophobicContact CE-CB 4.25Å; M21-K29 HydrophobicContact CE-CD 4.19Å; M21-K29 HydrophobicContact CE-CG 4.28Å; M21-K29 HydrophobicContact SD-CD 3.41Å; M21-K29 WeakPolarHBondContact SD-CD 3.15Å; M21-K29 WeakPolarHBondContact SD-CE 3.21Å; M21-K29 HydrophobicContact SD-CG 3.96Å; M21-K29 PolarHBondContact SD-NZ 3.35Å; M21-K29 VanDerWaalsContact SD-NZ 3.38Å; M21-S222 PolarHBondContact O-OG 2.89Å
22H45.8Very low56.7Low38 Ų3870.3 Ų70.318%0.17639%0.386CS..  trans-70.3167.9163.5-176.5-134.4000113D24 C25 I26 I221H22-D24 IonicContact CE1-OD2 2.83Å; H22-D24 PolarHBondContact CE1-OD2 2.99Å; H22-D24 VanDerWaalsContact CE1-OD2 3.23Å; H22-D24 IonicContact ND1-OD2 3.02Å; H22-C25 HydrophobicContact CB-CB 4.22Å; H22-C25 VanDerWaalsContact O-CB 3.31Å; H22-C25 WeakPolarHBondContact O-CB 3.26Å; H22-C25 PolarHBondContact O-N 3.46Å; H22-I26 PolarHBondContact O-N 3.45Å; H22-I221 HydrophobicContact CB-CB 3.95Å; H22-I221 HydrophobicContact CB-CG2 3.68Å; H22-I221 WeakPolarHBondContact CD2-CG2 3.27Å
23S46.1Very low58Low40 Ų4073 Ų7328%0.2840%0.399SS..SBendtrans-60.9-52.1176.349.40000113.5C25 I26S23-C25 PolarHBondContact O-N 3.44Å; S23-I26 WeakPolarHBondContact O-CA 3.46Å; S23-I26 WeakPolarHBondContact O-CB 3.35Å; S23-I26 VanDerWaalsContact O-CG1 3.32Å; S23-I26 WeakPolarHBondContact O-CG1 3.24Å; S23-I26 PolarHBondContact O-N 3.32Å
24D50.9Low59.5Low113 Ų11366.7 Ų66.760%0.60437%0.366SS*.Hα-helixtrans-66.3-23177.4-61.9-51.4000112.5H22 I26H22-D24 IonicContact CE1-OD2 2.83Å; H22-D24 PolarHBondContact CE1-OD2 2.99Å; H22-D24 VanDerWaalsContact CE1-OD2 3.23Å; H22-D24 IonicContact ND1-OD2 3.02Å; D24-I26 PolarHBondContact O-N 2.85Å
25C59.5Low61.3Low4 Ų464.1 Ų64.13%0.02735%0.353CS..Hα-helixtrans-71.6-17.1169.8-62.40000112.8M21 H22 S23 K28 K29 C219M21-C25 HydrophobicContact CE-CB 4.03Å; H22-C25 HydrophobicContact CB-CB 4.22Å; H22-C25 VanDerWaalsContact O-CB 3.31Å; H22-C25 WeakPolarHBondContact O-CB 3.26Å; H22-C25 PolarHBondContact O-N 3.46Å; S23-C25 PolarHBondContact O-N 3.44Å; C25-K28 PolarHBondContact O-N 3.43Å; C25-K29 WeakPolarHBondContact O-CB 3.48Å; C25-K29 PolarHBondContact O-N 2.96Å; C25-C219 HydrophobicContact CB-CB 4.5Å; C25-C219 WeakPolarHBondContact CB-SG 3.49Å; C25-C219 VanDerWaalsContact SG-C 3.51Å; C25-C219 WeakPolarHBondContact SG-CA 3.17Å; C25-C219 WeakPolarHBondContact SG-CB 3.35Å; C25-C219 CovalentContact SG-SG 2.03Å; C25-C219 PolarHBondContact SG-SG 3.11Å
26I61.1Low63Low46 Ų4666.1 Ų66.124%0.23636%0.361CS..Hα-helixtrans-61.5-55.6175.4-61.8173.9000108.8H22 S23 D24 K28 K29 E30 L80H22-I26 PolarHBondContact O-N 3.45Å; S23-I26 WeakPolarHBondContact O-CA 3.46Å; S23-I26 WeakPolarHBondContact O-CB 3.35Å; S23-I26 VanDerWaalsContact O-CG1 3.32Å; S23-I26 WeakPolarHBondContact O-CG1 3.24Å; S23-I26 PolarHBondContact O-N 3.32Å; D24-I26 PolarHBondContact O-N 2.85Å; I26-K28 VanDerWaalsContact C-N 3.28Å; I26-K28 PolarHBondContact O-N 3.36Å; I26-K29 CarbonylContact O-C 3.54Å; I26-K29 WeakPolarHBondContact O-CB 3.25Å; I26-K29 PolarHBondContact O-N 2.88Å; I26-E30 VanDerWaalsContact CG2-CD 3.41Å; I26-E30 HydrophobicContact CG2-CG 3.86Å; I26-E30 WeakPolarHBondContact O-CB 3.39Å; I26-E30 WeakPolarHBondContact O-CG 3.46Å; I26-E30 PolarHBondContact O-N 3.39Å; I26-L80 HydrophobicContact CD1-CD1 4.34Å
27F65.3Low65.1Low64 Ų6466.6 Ų66.628%0.28135%0.351SS..Hα-helixtrans-52-45.3178-74.9-58.8000112.8E30 Q31 W58 L80F27-E30 PolarHBondContact O-N 3.08Å; F27-Q31 VanDerWaalsContact O-CB 3.25Å; F27-Q31 WeakPolarHBondContact O-CB 3.35Å; F27-Q31 PolarHBondContact O-N 2.93Å; F27-W58 HydrophobicContact CD1-CZ2 4.43Å; F27-L80 HydrophobicContact CD2-CD2 4.15Å; F27-L80 HydrophobicContact CE1-CD2 4.32Å; F27-L80 HydrophobicContact CE2-CD2 3.26Å; F27-L80 HydrophobicContact CZ-CD2 3.37Å
28K68.8Low66.8Low147 Ų14766 Ų6664%0.63935%0.348SS*.Hα-helixtrans-70.4-33.4-180-166.7169.7-173.9170.60113.1C25 I26 A32C25-K28 PolarHBondContact O-N 3.43Å; I26-K28 VanDerWaalsContact C-N 3.28Å; I26-K28 PolarHBondContact O-N 3.36Å; K28-A32 PolarHBondContact O-N 3.1Å; K28-A32 VanDerWaalsContact O-N 3.17Å
29K70.6Confident68.7Low89 Ų8970 Ų7039%0.38736%0.358SS..Hα-helixtrans-71.5-43.8174-172.3-154.4-168167.70111M21 C25 I26 A32 M33M21-K29 HydrophobicContact CE-CB 4.25Å; M21-K29 HydrophobicContact CE-CD 4.19Å; M21-K29 HydrophobicContact CE-CG 4.28Å; M21-K29 HydrophobicContact SD-CD 3.41Å; M21-K29 WeakPolarHBondContact SD-CD 3.15Å; M21-K29 WeakPolarHBondContact SD-CE 3.21Å; M21-K29 HydrophobicContact SD-CG 3.96Å; M21-K29 PolarHBondContact SD-NZ 3.35Å; M21-K29 VanDerWaalsContact SD-NZ 3.38Å; C25-K29 WeakPolarHBondContact O-CB 3.48Å; C25-K29 PolarHBondContact O-N 2.96Å; I26-K29 CarbonylContact O-C 3.54Å; I26-K29 WeakPolarHBondContact O-CB 3.25Å; I26-K29 PolarHBondContact O-N 2.88Å; K29-A32 PolarHBondContact O-N 2.87Å; K29-M33 HydrophobicContact CD-CE 3.82Å; K29-M33 HydrophobicContact CD-SD 4.21Å; K29-M33 HydrophobicContact CG-CE 3.9Å; K29-M33 HydrophobicContact CG-CG 4.47Å; K29-M33 HydrophobicContact CG-SD 4.17Å; K29-M33 WeakPolarHBondContact O-CB 3.47Å; K29-M33 VanDerWaalsContact O-CG 3.28Å; K29-M33 WeakPolarHBondContact O-CG 3.48Å; K29-M33 PolarHBondContact O-N 3.49Å
30E75.8Confident70.6Confident54 Ų5471.5 Ų71.525%0.25235%0.351SS..Hα-helixtrans-66.8-40.3178.4-72.2-173.4157.800111.3I26 F27 A32 M33 C34 W58I26-E30 VanDerWaalsContact CG2-CD 3.41Å; I26-E30 HydrophobicContact CG2-CG 3.86Å; I26-E30 WeakPolarHBondContact O-CB 3.39Å; I26-E30 WeakPolarHBondContact O-CG 3.46Å; I26-E30 PolarHBondContact O-N 3.39Å; F27-E30 PolarHBondContact O-N 3.08Å; E30-A32 PolarHBondContact O-N 2.65Å; E30-M33 HydrophobicContact CB-CE 4.41Å; E30-M33 HydrophobicContact CG-CE 3.79Å; E30-M33 PolarHBondContact O-N 2.81Å; E30-C34 WeakPolarHBondContact O-CA 3.38Å; E30-C34 WeakPolarHBondContact O-CB 3.49Å; E30-C34 PolarHBondContact O-N 3.5Å; E30-W58 HydrophobicContact CB-CH2 3.71Å; E30-W58 HydrophobicContact CB-CZ3 4.01Å
31Q82.1Confident72.3Confident75 Ų7570.9 Ų70.935%0.3535%0.346SS..Hα-helixtrans-55.8-47.7167.8-176178.250.400111.7F27 C34 L35 W58F27-Q31 VanDerWaalsContact O-CB 3.25Å; F27-Q31 WeakPolarHBondContact O-CB 3.35Å; F27-Q31 PolarHBondContact O-N 2.93Å; Q31-C34 WeakPolarHBondContact O-CB 3.34Å; Q31-C34 PolarHBondContact O-N 2.87Å; Q31-L35 HydrophobicContact CG-CD1 4.24Å; Q31-L35 VanDerWaalsContact O-CG 3.3Å; Q31-L35 WeakPolarHBondContact O-CG 3.23Å; Q31-L35 PolarHBondContact O-N 3.26Å; Q31-W58 HydrophobicContact CB-CD2 4Å; Q31-W58 HydrophobicContact CB-CG 4.36Å; Q31-W58 HydrophobicContact CB-CZ2 4.01Å; Q31-W58 HydrophobicContact CG-CD2 4.16Å; Q31-W58 HydrophobicContact CG-CG 3.98Å
32A82.9Confident73.8Confident58 Ų5870.5 Ų70.548%0.47935%0.346SS..Hα-helixtrans-64.7-47.8178.900000112.5K28 K29 E30 C34 L35 E36K28-A32 PolarHBondContact O-N 3.1Å; K28-A32 VanDerWaalsContact O-N 3.17Å; K29-A32 PolarHBondContact O-N 2.87Å; E30-A32 PolarHBondContact O-N 2.65Å; A32-C34 PolarHBondContact O-N 3.31Å; A32-L35 PolarHBondContact O-N 2.82Å; A32-E36 PolarHBondContact O-N 3.21Å; A32-E36 VanDerWaalsContact O-N 3.09Å
33M83Confident75.1Confident72 Ų7276.3 Ų76.336%0.35537%0.373SS..Hα-helixtrans-63.1-30.6174.9-67.8-176.5-55.600111.9K29 E30 K37K29-M33 HydrophobicContact CD-CE 3.82Å; K29-M33 HydrophobicContact CD-SD 4.21Å; K29-M33 HydrophobicContact CG-CE 3.9Å; K29-M33 HydrophobicContact CG-CG 4.47Å; K29-M33 HydrophobicContact CG-SD 4.17Å; K29-M33 WeakPolarHBondContact O-CB 3.47Å; K29-M33 VanDerWaalsContact O-CG 3.28Å; K29-M33 WeakPolarHBondContact O-CG 3.48Å; K29-M33 PolarHBondContact O-N 3.49Å; E30-M33 HydrophobicContact CB-CE 4.41Å; E30-M33 HydrophobicContact CG-CE 3.79Å; E30-M33 PolarHBondContact O-N 2.81Å; M33-K37 WeakPolarHBondContact O-CB 3.37Å; M33-K37 VanDerWaalsContact O-CG 3.24Å; M33-K37 WeakPolarHBondContact O-CG 3.27Å; M33-K37 PolarHBondContact O-N 2.91Å
34C86.5Confident76.4Confident1 Ų181.5 Ų81.51%0.00740%0.397CS..Hα-helixtrans-69.1-49.5175.7-178.50000111.3E30 Q31 A32 E36 K37 I38 W58 C63E30-C34 WeakPolarHBondContact O-CA 3.38Å; E30-C34 WeakPolarHBondContact O-CB 3.49Å; E30-C34 PolarHBondContact O-N 3.5Å; Q31-C34 WeakPolarHBondContact O-CB 3.34Å; Q31-C34 PolarHBondContact O-N 2.87Å; A32-C34 PolarHBondContact O-N 3.31Å; C34-E36 VanDerWaalsContact C-N 3.25Å; C34-E36 PolarHBondContact O-N 3.11Å; C34-K37 CarbonylContact O-C 3.51Å; C34-K37 WeakPolarHBondContact O-CA 3.44Å; C34-K37 WeakPolarHBondContact O-CB 3.44Å; C34-K37 PolarHBondContact O-N 3.49Å; C34-I38 VanDerWaalsContact O-CG1 3.3Å; C34-I38 WeakPolarHBondContact O-CG1 3.36Å; C34-I38 PolarHBondContact O-N 2.98Å; C34-I38 WeakPolarHBondContact SG-CD1 3.4Å; C34-W58 HydrophobicContact CB-CE3 3.73Å; C34-W58 HydrophobicContact CB-CZ3 4.29Å; C34-C63 WeakPolarHBondContact CA-SG 3.3Å; C34-C63 HydrophobicContact CB-CB 3.57Å; C34-C63 WeakPolarHBondContact CB-SG 3.5Å; C34-C63 WeakPolarHBondContact SG-CA 3.34Å; C34-C63 WeakPolarHBondContact SG-CB 3.34Å; C34-C63 CovalentContact SG-SG 2.03Å; C34-C63 PolarHBondContact SG-SG 2.82Å
35L86.8Confident77.1Confident91 Ų9179.5 Ų79.548%0.47638%0.384SS..Hα-helixtrans-59.6-38.4177.3-68.3168.1000111.3Q31 A32 I38 Q39Q31-L35 HydrophobicContact CG-CD1 4.24Å; Q31-L35 VanDerWaalsContact O-CG 3.3Å; Q31-L35 WeakPolarHBondContact O-CG 3.23Å; Q31-L35 PolarHBondContact O-N 3.26Å; A32-L35 PolarHBondContact O-N 2.82Å; L35-I38 PolarHBondContact O-N 2.85Å; L35-Q39 WeakPolarHBondContact O-CG 3.26Å; L35-Q39 PolarHBondContact O-N 3Å
36E86.8Confident77.2Confident88 Ų8881.4 Ų81.441%0.41141%0.405SS..Hα-helixtrans-65.4-40.2173-163.5-168.3149.100112.7A32 C34 R40A32-E36 PolarHBondContact O-N 3.21Å; A32-E36 VanDerWaalsContact O-N 3.09Å; C34-E36 VanDerWaalsContact C-N 3.25Å; C34-E36 PolarHBondContact O-N 3.11Å; E36-R40 PolarHBondContact O-N 3.15Å; E36-R40 IonicContact OE1-CZ 2.69Å; E36-R40 IonicContact OE1-NH1 3.25Å; E36-R40 PolarHBondContact OE1-NH1 2.93Å; E36-R40 IonicContact OE1-NH2 2.7Å; E36-R40 PolarHBondContact OE1-NH2 3.29Å
37K86.1Confident77Confident134 Ų13482.7 Ų82.758%0.58341%0.409SS*.Hα-helixtrans-65.4-42.3173.2-76.7169.9-179.7179.70112.1M33 C34 R40 A41M33-K37 WeakPolarHBondContact O-CB 3.37Å; M33-K37 VanDerWaalsContact O-CG 3.24Å; M33-K37 WeakPolarHBondContact O-CG 3.27Å; M33-K37 PolarHBondContact O-N 2.91Å; C34-K37 CarbonylContact O-C 3.51Å; C34-K37 WeakPolarHBondContact O-CA 3.44Å; C34-K37 WeakPolarHBondContact O-CB 3.44Å; C34-K37 PolarHBondContact O-N 3.49Å; K37-R40 PolarHBondContact O-N 2.86Å; K37-A41 WeakPolarHBondContact O-CB 3.17Å; K37-A41 PolarHBondContact O-N 3.06Å
38I85.9Confident76.5Confident13 Ų1385.3 Ų85.37%0.06743%0.426CS..Hα-helixtrans-64.1-42.7178.5-69162.7000110.4C34 L35 A41 N42C34-I38 VanDerWaalsContact O-CG1 3.3Å; C34-I38 WeakPolarHBondContact O-CG1 3.36Å; C34-I38 PolarHBondContact O-N 2.98Å; C34-I38 WeakPolarHBondContact SG-CD1 3.4Å; L35-I38 PolarHBondContact O-N 2.85Å; I38-A41 PolarHBondContact O-N 2.87Å; I38-N42 WeakPolarHBondContact O-CB 3.4Å; I38-N42 VanDerWaalsContact O-CG 3.26Å; I38-N42 PolarHBondContact O-N 3.2Å
39Q84.4Confident75.8Confident129 Ų12987 Ų8760%0.60344%0.442SS*.Hα-helixtrans-57.1-51.9174.6-76.6174.2-8.900111.6L35 A41 N42 E43L35-Q39 WeakPolarHBondContact O-CG 3.26Å; L35-Q39 PolarHBondContact O-N 3Å; Q39-A41 VanDerWaalsContact C-N 3.32Å; Q39-A41 PolarHBondContact O-N 2.98Å; Q39-N42 PolarHBondContact O-N 3.22Å; Q39-E43 WeakPolarHBondContact O-CG 3.39Å; Q39-E43 PolarHBondContact O-N 3.03Å; Q39-E43 VanDerWaalsContact O-N 3.09Å
40R83.3Confident75.3Confident135 Ų13587.6 Ų87.651%0.50946%0.457SS..Hα-helixtrans-60.9-37.4175.8-70-173.6-179.5108.27.8113.3E36 K37 E43 L44E36-R40 PolarHBondContact O-N 3.15Å; E36-R40 IonicContact OE1-CZ 2.69Å; E36-R40 IonicContact OE1-NH1 3.25Å; E36-R40 PolarHBondContact OE1-NH1 2.93Å; E36-R40 IonicContact OE1-NH2 2.7Å; E36-R40 PolarHBondContact OE1-NH2 3.29Å; K37-R40 PolarHBondContact O-N 2.86Å; R40-E43 PolarHBondContact O-N 3.24Å; R40-L44 WeakPolarHBondContact O-CB 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.34Å; R40-L44 PolarHBondContact O-N 3.04Å; R40-L44 VanDerWaalsContact O-N 3.07Å
41A81.8Confident74.5Confident18 Ų1887.7 Ų87.715%0.14946%0.464CS..Hα-helixtrans-68.2-39.5178.900000112K37 I38 Q39 L44 M45 P66K37-A41 WeakPolarHBondContact O-CB 3.17Å; K37-A41 PolarHBondContact O-N 3.06Å; I38-A41 PolarHBondContact O-N 2.87Å; Q39-A41 VanDerWaalsContact C-N 3.32Å; Q39-A41 PolarHBondContact O-N 2.98Å; A41-L44 PolarHBondContact O-N 3.32Å; A41-M45 WeakPolarHBondContact O-CB 3.26Å; A41-M45 WeakPolarHBondContact O-CG 3.5Å; A41-M45 PolarHBondContact O-N 3.08Å; A41-P66 HydrophobicContact CB-CG 3.78Å
42N75.7Confident73.9Confident72 Ų7288.7 Ų88.739%0.38548%0.477SS..Hα-helixtrans-65.4-40.7175.2-69.6-11.1000111.7I38 Q39 L44 G46 P66I38-N42 WeakPolarHBondContact O-CB 3.4Å; I38-N42 VanDerWaalsContact O-CG 3.26Å; I38-N42 PolarHBondContact O-N 3.2Å; Q39-N42 PolarHBondContact O-N 3.22Å; N42-L44 VanDerWaalsContact C-N 3.31Å; N42-L44 PolarHBondContact O-N 2.92Å; N42-G46 PolarHBondContact O-N 2.87Å; N42-P66 WeakPolarHBondContact OD1-CG 3.48Å
43E74.7Confident73.9Confident159 Ų15987.3 Ų87.374%0.74347%0.468SS*.Hα-helixtrans-60.5-38172.9-71176.1163.200112.4Q39 R40Q39-E43 WeakPolarHBondContact O-CG 3.39Å; Q39-E43 PolarHBondContact O-N 3.03Å; Q39-E43 VanDerWaalsContact O-N 3.09Å; R40-E43 PolarHBondContact O-N 3.24Å
44L73Confident74.1Confident150 Ų15084 Ų8479%0.78545%0.452SS*.Hα-helixtrans-76.7-37.4179.8-81.5164.5000114R40 A41 N42R40-L44 WeakPolarHBondContact O-CB 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.34Å; R40-L44 PolarHBondContact O-N 3.04Å; R40-L44 VanDerWaalsContact O-N 3.07Å; A41-L44 PolarHBondContact O-N 3.32Å; N42-L44 VanDerWaalsContact C-N 3.31Å; N42-L44 PolarHBondContact O-N 2.92Å
45M65.7Low74.2Confident71 Ų7188.2 Ų88.235%0.3548%0.479SS..Hα-helixtrans-82.4-19.3-175.7-68.4-176.9-168.200113.6A41 F47 P66A41-M45 WeakPolarHBondContact O-CB 3.26Å; A41-M45 WeakPolarHBondContact O-CG 3.5Å; A41-M45 PolarHBondContact O-N 3.08Å; M45-F47 VanDerWaalsContact C-N 3.33Å; M45-F47 HydrophobicContact CB-CD2 3.79Å; M45-F47 HydrophobicContact CB-CE2 3.65Å; M45-F47 HydrophobicContact CG-CE2 4.35Å; M45-F47 PolarHBondContact O-N 3.25Å; M45-F47 HydrophobicContact SD-CE2 3.8Å; M45-F47 HydrophobicContact SD-CZ 4.36Å; M45-P66 HydrophobicContact CE-CB 4.39Å; M45-P66 WeakPolarHBondContact CE-O 3.36Å; M45-P66 HydrophobicContact SD-CB 3.77Å; M45-P66 HydrophobicContact SD-CG 4.27Å
46G60.7Low74.2Confident44 Ų4484.5 Ų84.545%0.45446%0.463SS..  trans57.642.8169.400000113.8N42 N48N42-G46 PolarHBondContact O-N 2.87Å; G46-N48 PolarHBondContact O-N 3Å
47F56.9Low74.4Confident73 Ų7383.4 Ų83.432%0.3246%0.459SS..  trans-58.894.7-179.8-81.4-80.5000111.8M45 S51 P66M45-F47 VanDerWaalsContact C-N 3.33Å; M45-F47 HydrophobicContact CB-CD2 3.79Å; M45-F47 HydrophobicContact CB-CE2 3.65Å; M45-F47 HydrophobicContact CG-CE2 4.35Å; M45-F47 PolarHBondContact O-N 3.25Å; M45-F47 HydrophobicContact SD-CE2 3.8Å; M45-F47 HydrophobicContact SD-CZ 4.36Å; F47-S51 WeakPolarHBondContact CD1-O 3.34Å; F47-P66 HydrophobicContact CE2-CB 4.11Å
48N55.4Low74.5Confident118 Ų11878.8 Ų78.863%0.63144%0.438SS*.  trans-75.9154.3158.2-65.7-61.4000109.3G46 S50 S51G46-N48 PolarHBondContact O-N 3Å; N48-S50 PolarHBondContact O-N 3.46Å; N48-S51 PolarHBondContact O-N 3.39Å
49D54.6Low74.5Confident183 Ų18379.4 Ų79.498%0.97944%0.441SS*.THydrogen-bonded Turntrans-55.7-9.7-178.3-62-51000115.4
50S58.3Low74.4Confident101 Ų10179 Ų7971%0.70644%0.443SS*.THydrogen-bonded Turntrans-84-5177.356.30000115.1N48N48-S50 PolarHBondContact O-N 3.46Å
51S60.7Low74.3Confident56 Ų5674.9 Ų74.939%0.39243%0.431SS..  trans-118.795.8-171-60.50000111.6F47 N48F47-S51 WeakPolarHBondContact CD1-O 3.34Å; N48-S51 PolarHBondContact O-N 3.39Å
52P68.3Low74.5Confident96 Ų9674.4 Ų74.462%0.62343%0.426SS*.  trans-66.2138.8175.128.6-34.4000111V69P52-V69 HydrophobicContact CB-CG2 4.06Å
53G82.6Confident75.1Confident30 Ų3072.7 Ų72.731%0.30942%0.419SS..EExtended strand (participates in β ladder)trans-179.3165.2-177.700000111.1A67G53-A67 CarbonylContact C-O 3.49Å; G53-A67 VanDerWaalsContact CA-O 3.31Å; G53-A67 WeakPolarHBondContact CA-O 3.49Å
54C88.5Confident75.9Confident1 Ų165.1 Ų65.11%0.00738%0.384CS..EExtended strand (participates in β ladder)trans-92.8128.7-174.8-56.30000110.1P66 A67 C118 W123C54-P66 VanDerWaalsContact O-CA 3.27Å; C54-P66 WeakPolarHBondContact O-CA 3.23Å; C54-A67 PolarHBondContact N-O 2.92Å; C54-A67 PolarHBondContact O-N 3.37Å; C54-A67 VanDerWaalsContact O-N 3.08Å; C54-C118 HydrophobicContact CB-CB 3.87Å; C54-C118 WeakPolarHBondContact CB-SG 3.5Å; C54-C118 PolarHBondContact N-SG 3.34Å; C54-C118 WeakPolarHBondContact SG-CA 3.4Å; C54-C118 WeakPolarHBondContact SG-CB 3.41Å; C54-C118 CovalentContact SG-SG 2.04Å; C54-C118 PolarHBondContact SG-SG 3.14Å; C54-W123 HydrophobicContact CB-CD2 3.83Å; C54-W123 VanDerWaalsContact CB-CE2 3.44Å; C54-W123 HydrophobicContact CB-CE3 4.46Å; C54-W123 HydrophobicContact CB-CG 4.14Å; C54-W123 HydrophobicContact CB-CH2 4.44Å; C54-W123 HydrophobicContact CB-CZ2 3.78Å
55P88.1Confident76.7Confident90 Ų9062.3 Ų62.358%0.58437%0.365SS*.PPolyproline II helixtrans-67.5146.5179.229.1-34.9000110.5W123P55-W123 PolarHBondContact O-NE1 3.37Å
56G87.6Confident77.7Confident13 Ų1358.9 Ų58.913%0.13435%0.349CS..PPolyproline II helixtrans-63.8136.3171.900000110.8W64G56-W64 CarbonylContact C-O 3.57Å; G56-W64 WeakPolarHBondContact CA-O 3.49Å
57M90.1Very high79.1Confident65 Ų6556.8 Ų56.832%0.3233%0.327SS..EExtended strand (participates in β ladder)trans-144.7160.2-173.266.9174.9-71.400113.1D59 W64 W123M57-D59 HydrophobicContact CE-CB 4.01Å; M57-W64 HydrophobicContact CG-CB 3.96Å; M57-W64 HydrophobicContact CG-CG 4.39Å; M57-W64 PolarHBondContact N-O 3.5Å; M57-W64 PolarHBondContact O-N 3.37Å; M57-W123 HydrophobicContact SD-CG 4.14Å
58W88Confident80.5Confident37 Ų3758.2 Ų58.214%0.1433%0.334CS..EExtended strand (participates in β ladder)trans-109.2120.5168.2175.3-99.2000107.5F27 E30 Q31 C34 N60 T62 C63F27-W58 HydrophobicContact CD1-CZ2 4.43Å; E30-W58 HydrophobicContact CB-CH2 3.71Å; E30-W58 HydrophobicContact CB-CZ3 4.01Å; Q31-W58 HydrophobicContact CB-CD2 4Å; Q31-W58 HydrophobicContact CB-CG 4.36Å; Q31-W58 HydrophobicContact CB-CZ2 4.01Å; Q31-W58 HydrophobicContact CG-CD2 4.16Å; Q31-W58 HydrophobicContact CG-CG 3.98Å; C34-W58 HydrophobicContact CB-CE3 3.73Å; C34-W58 HydrophobicContact CB-CZ3 4.29Å; W58-N60 VanDerWaalsContact C-N 3.3Å; W58-N60 PolarHBondContact O-N 2.86Å; W58-T62 VanDerWaalsContact CE3-C 3.48Å; W58-C63 HydrophobicContact CE3-CB 4.17Å; W58-C63 HydrophobicContact CZ3-CB 4.31Å
59D86.2Confident82.1Confident26 Ų2655.1 Ų55.114%0.13932%0.32CS..  trans-95.121.1-175.571.8-2.4000113.6M57 I61 T62 W64 R116 Y130M57-D59 HydrophobicContact CE-CB 4.01Å; D59-I61 PolarHBondContact O-N 2.68Å; D59-I61 PolarHBondContact OD1-N 3.4Å; D59-T62 PolarHBondContact N-O 2.79Å; D59-T62 PolarHBondContact OD1-N 2.72Å; D59-W64 PolarHBondContact OD2-NE1 2.87Å; D59-R116 IonicContact OD2-NH1 3.45Å; D59-R116 PolarHBondContact OD2-NH1 3.05Å; D59-Y130 PolarHBondContact OD1-OH 3.5Å; D59-Y130 PolarHBondContact OD2-OH 2.88Å
60N83.4Confident83.8Confident122 Ų12249.8 Ų49.865%0.65231%0.308SS*.SBendtrans74-11.4-168.9-54.1-48.5000115.8W58W58-N60 VanDerWaalsContact C-N 3.3Å; W58-N60 PolarHBondContact O-N 2.86Å
61I80.8Confident85.3Confident48 Ų4847.7 Ų47.725%0.24629%0.287CS..SBendtrans-121.2-45.8-179.5-53.3178.2000111.4D59 P78 F81 Y130D59-I61 PolarHBondContact O-N 2.68Å; D59-I61 PolarHBondContact OD1-N 3.4Å; I61-P78 HydrophobicContact CG2-CG 4.18Å; I61-F81 HydrophobicContact CG2-CE2 3.86Å; I61-F81 HydrophobicContact CG2-CZ 4.12Å; I61-Y130 HydrophobicContact CB-CE1 4.32Å; I61-Y130 HydrophobicContact CB-CE2 4.34Å; I61-Y130 HydrophobicContact CD1-CD2 3.65Å; I61-Y130 HydrophobicContact CD1-CE2 3.93Å; I61-Y130 HydrophobicContact CD1-CG 3.97Å; I61-Y130 HydrophobicContact CG2-CD1 3.99Å; I61-Y130 HydrophobicContact CG2-CE1 3.89Å; I61-Y130 HydrophobicContact CG2-CG 4.44Å
62T85.7Confident86.7Confident7 Ų749.7 Ų49.74%0.04329%0.291CS..SBendtrans-134.3170-177.570.60000113.7W58 D59 W64 V75 P78 Y130W58-T62 VanDerWaalsContact CE3-C 3.48Å; D59-T62 PolarHBondContact N-O 2.79Å; D59-T62 PolarHBondContact OD1-N 2.72Å; T62-W64 PolarHBondContact OG1-NE1 3.3Å; T62-V75 HydrophobicContact CG2-CG1 4.15Å; T62-P78 HydrophobicContact CG2-CG 3.83Å; T62-Y130 HydrophobicContact CG2-CE1 3.64Å; T62-Y130 PolarHBondContact OG1-OH 3.01Å
63C89.2Confident87.8Confident36 Ų3645.5 Ų45.524%0.24326%0.264CS..EExtended strand (participates in β ladder)trans-103.6110-178.9-169.60000112.1C34 W58C34-C63 WeakPolarHBondContact CA-SG 3.3Å; C34-C63 HydrophobicContact CB-CB 3.57Å; C34-C63 WeakPolarHBondContact CB-SG 3.5Å; C34-C63 WeakPolarHBondContact SG-CA 3.34Å; C34-C63 WeakPolarHBondContact SG-CB 3.34Å; C34-C63 CovalentContact SG-SG 2.03Å; C34-C63 PolarHBondContact SG-SG 2.82Å; W58-C63 HydrophobicContact CE3-CB 4.17Å; W58-C63 HydrophobicContact CZ3-CB 4.31Å
64W90.4Very high88.1Confident0 Ų048.5 Ų48.50%027%0.272CS..EExtended strand (participates in β ladder)trans-91.2115.8175.3-61.192.6000109.7G56 M57 D59 T62 V73 V75 V114 R116 W123G56-W64 CarbonylContact C-O 3.57Å; G56-W64 WeakPolarHBondContact CA-O 3.49Å; M57-W64 HydrophobicContact CG-CB 3.96Å; M57-W64 HydrophobicContact CG-CG 4.39Å; M57-W64 PolarHBondContact N-O 3.5Å; M57-W64 PolarHBondContact O-N 3.37Å; D59-W64 PolarHBondContact OD2-NE1 2.87Å; T62-W64 PolarHBondContact OG1-NE1 3.3Å; W64-V73 HydrophobicContact CE3-CB 4.09Å; W64-V73 HydrophobicContact CE3-CG1 3.82Å; W64-V73 HydrophobicContact CZ3-CB 4.01Å; W64-V73 HydrophobicContact CZ3-CG1 3.86Å; W64-V75 HydrophobicContact CD2-CG2 4.33Å; W64-V75 HydrophobicContact CE3-CG2 3.9Å; W64-V75 HydrophobicContact CH2-CB 4Å; W64-V75 HydrophobicContact CH2-CG2 3.69Å; W64-V75 HydrophobicContact CZ2-CB 4.35Å; W64-V75 HydrophobicContact CZ2-CG2 4.16Å; W64-V75 HydrophobicContact CZ3-CB 4.37Å; W64-V75 HydrophobicContact CZ3-CG2 3.57Å; W64-V114 HydrophobicContact CH2-CG1 4.32Å; W64-V114 HydrophobicContact CZ2-CG1 4.29Å; W64-R116 HydrophobicContact CD2-CG 4.37Å; W64-R116 HydrophobicContact CE3-CB 4.01Å; W64-R116 HydrophobicContact CE3-CG 4.21Å; W64-R116 HydrophobicContact CH2-CB 3.93Å; W64-R116 HydrophobicContact CH2-CG 3.53Å; W64-R116 HydrophobicContact CZ2-CB 4.45Å; W64-R116 HydrophobicContact CZ2-CG 3.67Å; W64-R116 HydrophobicContact CZ3-CB 3.66Å; W64-R116 HydrophobicContact CZ3-CG 3.79Å; W64-W123 HydrophobicContact CB-CZ2 4.17Å; W64-W123 HydrophobicContact CE3-CZ3 4.35Å
65K89.2Confident88.1Confident91 Ų9150 Ų5040%0.39628%0.282SS..  trans-60.8152.616757.2155.6-169.4158.90109.9E71 V73 W123K65-E71 IonicContact NZ-OE1 2.57Å; K65-E71 PolarHBondContact NZ-OE1 2.87Å; K65-V73 HydrophobicContact CG-CG1 4.08Å; K65-W123 WeakPolarHBondContact O-CH2 3.45Å; K65-W123 WeakPolarHBondContact O-CZ2 3.48Å
66P88.4Confident88Confident0 Ų049.5 Ų49.50%028%0.28CS..  trans-59.5153.9167.1-9.422.5000110.6A41 N42 M45 F47 C54A41-P66 HydrophobicContact CB-CG 3.78Å; N42-P66 WeakPolarHBondContact OD1-CG 3.48Å; M45-P66 HydrophobicContact CE-CB 4.39Å; M45-P66 WeakPolarHBondContact CE-O 3.36Å; M45-P66 HydrophobicContact SD-CB 3.77Å; M45-P66 HydrophobicContact SD-CG 4.27Å; F47-P66 HydrophobicContact CE2-CB 4.11Å; C54-P66 VanDerWaalsContact O-CA 3.27Å; C54-P66 WeakPolarHBondContact O-CA 3.23Å
67A88.3Confident87.7Confident0 Ų050 Ų500%028%0.281CS..EExtended strand (participates in β ladder)trans-148.5157.3-173.300000112.2G53 C54 E71 V73 C118 W123G53-A67 CarbonylContact C-O 3.49Å; G53-A67 VanDerWaalsContact CA-O 3.31Å; G53-A67 WeakPolarHBondContact CA-O 3.49Å; C54-A67 PolarHBondContact N-O 2.92Å; C54-A67 PolarHBondContact O-N 3.37Å; C54-A67 VanDerWaalsContact O-N 3.08Å; A67-E71 WeakPolarHBondContact CA-OE2 3.43Å; A67-E71 HydrophobicContact CB-CB 4.27Å; A67-E71 HydrophobicContact CB-CG 4.44Å; A67-E71 WeakPolarHBondContact CB-OE2 3.25Å; A67-V73 HydrophobicContact CB-CG2 3.86Å; A67-C118 HydrophobicContact CB-CB 4.02Å; A67-W123 HydrophobicContact CB-CH2 3.51Å; A67-W123 HydrophobicContact CB-CZ2 4.07Å; A67-W123 HydrophobicContact CB-CZ3 4.25Å
68H87.3Confident87.1Confident103 Ų10347.5 Ų47.548%0.47727%0.27SS..EExtended strand (participates in β ladder)trans-84.6152.4174.3-66.4-69000111.7G70 E71 C118H68-G70 PolarHBondContact O-N 2.96Å; H68-E71 PolarHBondContact N-OE2 3.38Å; H68-E71 WeakPolarHBondContact O-CB 3.4Å; H68-E71 PolarHBondContact O-N 3.27Å; H68-C118 VanDerWaalsContact C-SG 3.59Å; H68-C118 VanDerWaalsContact O-CB 3.31Å; H68-C118 WeakPolarHBondContact O-CB 3.4Å; H68-C118 PolarHBondContact O-SG 3.22Å
69V89.6Confident86.2Confident53 Ų5351.1 Ų51.132%0.32129%0.288SS..THydrogen-bonded Turntrans-56.8129.6173.2174.40000110.1P52 E120P52-V69 HydrophobicContact CB-CG2 4.06Å; V69-E120 HydrophobicContact CG1-CG 3.7Å
70G89.1Confident85.2Confident71 Ų7150.5 Ų50.573%0.73229%0.285SS*.THydrogen-bonded Turntrans89.6-5-17400000114.7H68 C118H68-G70 PolarHBondContact O-N 2.96Å; G70-C118 PolarHBondContact N-O 3.25Å
71E90Very high84.3Confident56 Ų5645.9 Ų45.926%0.26226%0.259SS..  trans-81.3129.4173.7-170.2178.6176.700111.3K65 A67 H68 V73 C118K65-E71 IonicContact NZ-OE1 2.57Å; K65-E71 PolarHBondContact NZ-OE1 2.87Å; A67-E71 WeakPolarHBondContact CA-OE2 3.43Å; A67-E71 HydrophobicContact CB-CB 4.27Å; A67-E71 HydrophobicContact CB-CG 4.44Å; A67-E71 WeakPolarHBondContact CB-OE2 3.25Å; H68-E71 PolarHBondContact N-OE2 3.38Å; H68-E71 WeakPolarHBondContact O-CB 3.4Å; H68-E71 PolarHBondContact O-N 3.27Å; E71-V73 HydrophobicContact CG-CG2 4.35Å; E71-C118 PolarHBondContact O-N 3.35Å
72M90.3Very high83.4Confident99 Ų9950.2 Ų50.249%0.48827%0.272SS..EExtended strand (participates in β ladder)trans-90.1126.7165.7-178.4-178.5-75.400109L74 N117M72-L74 HydrophobicContact CG-CD1 3.9Å; M72-L74 HydrophobicContact SD-CD1 4.09Å; M72-N117 VanDerWaalsContact CB-OD1 3.29Å; M72-N117 WeakPolarHBondContact CB-OD1 3.29Å; M72-N117 VanDerWaalsContact CE-OD1 3.28Å; M72-N117 WeakPolarHBondContact CE-OD1 3.36Å; M72-N117 WeakPolarHBondContact CG-OD1 3.11Å
73V90.6Very high81.9Confident7 Ų754.2 Ų54.24%0.04229%0.292CS..EExtended strand (participates in β ladder)trans-107.7136.9173.2-178.60000108.9W64 K65 A67 E71 V75 S115 R116 W123W64-V73 HydrophobicContact CE3-CB 4.09Å; W64-V73 HydrophobicContact CE3-CG1 3.82Å; W64-V73 HydrophobicContact CZ3-CB 4.01Å; W64-V73 HydrophobicContact CZ3-CG1 3.86Å; K65-V73 HydrophobicContact CG-CG1 4.08Å; A67-V73 HydrophobicContact CB-CG2 3.86Å; E71-V73 HydrophobicContact CG-CG2 4.35Å; V73-V75 HydrophobicContact CG1-CG2 4.28Å; V73-S115 CarbonylContact O-C 3.44Å; V73-S115 VanDerWaalsContact O-CA 3.29Å; V73-S115 WeakPolarHBondContact O-CA 3.38Å; V73-R116 PolarHBondContact N-O 3.28Å; V73-R116 PolarHBondContact O-N 3.41Å; V73-W123 HydrophobicContact CB-CH2 4.24Å; V73-W123 HydrophobicContact CB-CZ3 4.17Å; V73-W123 HydrophobicContact CG2-CH2 3.78Å; V73-W123 HydrophobicContact CG2-CZ3 3.99Å
74L90.3Very high80.3Confident93 Ų9358.7 Ų58.749%0.48731%0.308SS..EExtended strand (participates in β ladder)trans-119.1138.1177.5-64.590.5000109.2M72 L108 V113 V114M72-L74 HydrophobicContact CG-CD1 3.9Å; M72-L74 HydrophobicContact SD-CD1 4.09Å; L74-L108 HydrophobicContact CD2-CD1 4.05Å; L74-L108 HydrophobicContact CD2-CD2 4.43Å; L74-V113 HydrophobicContact CB-CG1 3.86Å; L74-V113 HydrophobicContact CD2-CG1 3.99Å; L74-V113 HydrophobicContact CG-CG1 4.42Å; L74-V114 WeakPolarHBondContact CA-O 3.49Å
75V87.7Confident78.4Confident34 Ų3460.5 Ų60.521%0.20632%0.317CS..EExtended strand (participates in β ladder)trans-138.3128-178.6-177.40000108.7T62 W64 V73 V114T62-V75 HydrophobicContact CG2-CG1 4.15Å; W64-V75 HydrophobicContact CD2-CG2 4.33Å; W64-V75 HydrophobicContact CE3-CG2 3.9Å; W64-V75 HydrophobicContact CH2-CB 4Å; W64-V75 HydrophobicContact CH2-CG2 3.69Å; W64-V75 HydrophobicContact CZ2-CB 4.35Å; W64-V75 HydrophobicContact CZ2-CG2 4.16Å; W64-V75 HydrophobicContact CZ3-CB 4.37Å; W64-V75 HydrophobicContact CZ3-CG2 3.57Å; V73-V75 HydrophobicContact CG1-CG2 4.28Å; V75-V114 PolarHBondContact N-O 2.86Å; V75-V114 PolarHBondContact O-N 3Å
76S85.2Confident76.5Confident79 Ų7959.8 Ų59.855%0.55232%0.322SS*.EExtended strand (participates in β ladder)trans-67.9149.8174.3-55.70000111.7G112S76-G112 CarbonylContact C-O 3.29Å; S76-G112 WeakPolarHBondContact CA-O 3.09Å
77C82.4Confident74.5Confident22 Ų2264.8 Ų64.815%0.14935%0.349CS..PPolyproline II helixtrans-52.7135.9172.2-68.20000111.5G112 A133 C134C77-G112 PolarHBondContact N-O 3.38Å; C77-G112 PolarHBondContact SG-O 3.45Å; C77-G112 VanDerWaalsContact SG-O 3.35Å; C77-A133 PolarHBondContact SG-O 2.78Å; C77-A133 VanDerWaalsContact SG-O 3.37Å; C77-C134 HydrophobicContact CB-CB 3.79Å; C77-C134 WeakPolarHBondContact CB-SG 3.41Å; C77-C134 WeakPolarHBondContact SG-CA 3.31Å; C77-C134 WeakPolarHBondContact SG-CB 3.26Å; C77-C134 CovalentContact SG-SG 2.04Å; C77-C134 PolarHBondContact SG-SG 3.23Å
78P78.1Confident72.4Confident13 Ų1368.8 Ų68.88%0.08437%0.368CS..PPolyproline II helixtrans-55.2145.1172.9-27.434.4000112.8I61 T62 L80 F81I61-P78 HydrophobicContact CG2-CG 4.18Å; T62-P78 HydrophobicContact CG2-CG 3.83Å; P78-L80 PolarHBondContact O-N 3.11Å; P78-F81 HydrophobicContact CB-CD2 4.05Å; P78-F81 HydrophobicContact CB-CE2 4.3Å; P78-F81 HydrophobicContact CG-CD2 4.15Å; P78-F81 HydrophobicContact CG-CE2 4.03Å; P78-F81 PolarHBondContact O-N 3.01Å
79E68.2Low70.2Confident113 Ų11367.3 Ų67.353%0.52837%0.366SS..Hα-helixtrans-54.5-25.5-179.9-64.5-64.2159.600113.3F81 R82E79-F81 VanDerWaalsContact C-N 3.25Å; E79-F81 PolarHBondContact O-N 3.09Å; E79-R82 WeakPolarHBondContact O-CB 3.29Å; E79-R82 PolarHBondContact O-N 3.28Å; E79-R82 VanDerWaalsContact O-N 3.16Å; E79-R82 IonicContact OE1-CZ 3.53Å; E79-R82 IonicContact OE1-NH1 2.77Å; E79-R82 PolarHBondContact OE1-NH1 3.16Å; E79-R82 IonicContact OE2-CZ 3.37Å; E79-R82 IonicContact OE2-NE 3.98Å; E79-R82 IonicContact OE2-NH1 2.85Å; E79-R82 PolarHBondContact OE2-NH1 2.95Å
80L64.2Low67.5Low13 Ų1372.7 Ų72.77%0.06838%0.38CS..Hα-helixtrans-57.1-35.3175.1-161.977.9000112.9I26 F27 P78 R82 I83 F84I26-L80 HydrophobicContact CD1-CD1 4.34Å; F27-L80 HydrophobicContact CD2-CD2 4.15Å; F27-L80 HydrophobicContact CE1-CD2 4.32Å; F27-L80 HydrophobicContact CE2-CD2 3.26Å; F27-L80 HydrophobicContact CZ-CD2 3.37Å; P78-L80 PolarHBondContact O-N 3.11Å; L80-R82 VanDerWaalsContact C-N 3.31Å; L80-R82 PolarHBondContact O-N 2.8Å; L80-I83 HydrophobicContact CD1-CD1 4.07Å; L80-I83 WeakPolarHBondContact O-CB 3.19Å; L80-I83 PolarHBondContact O-N 2.92Å; L80-I83 VanDerWaalsContact O-N 3.1Å; L80-F84 HydrophobicContact CD2-CE2 4.03Å; L80-F84 HydrophobicContact CG-CE2 3.97Å; L80-F84 WeakPolarHBondContact O-CD2 3.42Å
81F65.5Low64.9Low25 Ų2574.7 Ų74.711%0.1137%0.371CS..Hα-helixtrans-68.5-29.5179.9-70.9-85.5000112.4I61 P78 E79 I83 F84 N85 C134 F136I61-F81 HydrophobicContact CG2-CE2 3.86Å; I61-F81 HydrophobicContact CG2-CZ 4.12Å; P78-F81 HydrophobicContact CB-CD2 4.05Å; P78-F81 HydrophobicContact CB-CE2 4.3Å; P78-F81 HydrophobicContact CG-CD2 4.15Å; P78-F81 HydrophobicContact CG-CE2 4.03Å; P78-F81 PolarHBondContact O-N 3.01Å; E79-F81 VanDerWaalsContact C-N 3.25Å; E79-F81 PolarHBondContact O-N 3.09Å; F81-I83 PolarHBondContact O-N 3.45Å; F81-F84 PolarHBondContact O-N 2.82Å; F81-N85 PolarHBondContact O-N 3.04Å; F81-C134 HydrophobicContact CB-CB 3.85Å; F81-C134 HydrophobicContact CD1-CB 3.65Å; F81-C134 HydrophobicContact CD2-CB 4.16Å; F81-C134 HydrophobicContact CE1-CB 4.24Å; F81-C134 HydrophobicContact CG-CB 3.61Å; F81-F136 HydrophobicContact CD1-CB 4.22Å; F81-F136 HydrophobicContact CD1-CD2 4.01Å; F81-F136 HydrophobicContact CE1-CB 4.02Å; F81-F136 AromaticContact CE1-CD2 3.81Å; F81-F136 HydrophobicContact CE1-CD2 3.81Å; F81-F136 HydrophobicContact CE1-CG 4.12Å
82R61.8Low62.3Low139 Ų13977.1 Ų77.153%0.52539%0.39SS..Hα-helixtrans-65.9-23.4171.7-65.9-173.9174.7136.20113.2E79 L80 N85E79-R82 WeakPolarHBondContact O-CB 3.29Å; E79-R82 PolarHBondContact O-N 3.28Å; E79-R82 VanDerWaalsContact O-N 3.16Å; E79-R82 IonicContact OE1-CZ 3.53Å; E79-R82 IonicContact OE1-NH1 2.77Å; E79-R82 PolarHBondContact OE1-NH1 3.16Å; E79-R82 IonicContact OE2-CZ 3.37Å; E79-R82 IonicContact OE2-NE 3.98Å; E79-R82 IonicContact OE2-NH1 2.85Å; E79-R82 PolarHBondContact OE2-NH1 2.95Å; L80-R82 VanDerWaalsContact C-N 3.31Å; L80-R82 PolarHBondContact O-N 2.8Å; R82-N85 CarbonylContact O-C 3.01Å
83I55.2Low59.7Low91 Ų9180.5 Ų80.547%0.46740%0.404SS..Hα-helixtrans-73.6-35.6175.3-50.8179.1000110.4L80 F81 M299L80-I83 HydrophobicContact CD1-CD1 4.07Å; L80-I83 WeakPolarHBondContact O-CB 3.19Å; L80-I83 PolarHBondContact O-N 2.92Å; L80-I83 VanDerWaalsContact O-N 3.1Å; F81-I83 PolarHBondContact O-N 3.45Å; I83-M299 HydrophobicContact CG2-CE 4.41Å
84F54.3Low57Low130 Ų13084.4 Ų84.457%0.5743%0.428SS*.Hα-helixtrans-76.8-34.2175.9-68.1-68.9000112.8L80 F81 P86 F136L80-F84 HydrophobicContact CD2-CE2 4.03Å; L80-F84 HydrophobicContact CG-CE2 3.97Å; L80-F84 WeakPolarHBondContact O-CD2 3.42Å; F81-F84 PolarHBondContact O-N 2.82Å; F84-P86 VanDerWaalsContact C-CD 3.47Å; F84-P86 VanDerWaalsContact O-CD 3.3Å; F84-P86 WeakPolarHBondContact O-CD 3.48Å; F84-F136 HydrophobicContact CD2-CD2 4.45Å; F84-F136 HydrophobicContact CD2-CE2 4.17Å; F84-F136 HydrophobicContact CE2-CE2 4.31Å; F84-F136 HydrophobicContact CG-CE2 4.3Å
85N50.6Low54.4Low38 Ų3886.1 Ų86.120%0.20344%0.436CS..  trans-120.573.1-178.6-163-11.8000112.3F81 R82 D87F81-N85 PolarHBondContact O-N 3.04Å; R82-N85 CarbonylContact O-C 3.01Å; N85-D87 PolarHBondContact O-N 3.43Å
86P50Low51.8Low76 Ų7688.1 Ų88.149%0.49446%0.464SS..THydrogen-bonded Turntrans-68.3-19.9-178.429.2-36.6000113.3F84 Q88 V89F84-P86 VanDerWaalsContact C-CD 3.47Å; F84-P86 VanDerWaalsContact O-CD 3.3Å; F84-P86 WeakPolarHBondContact O-CD 3.48Å; P86-Q88 VanDerWaalsContact C-N 3.34Å; P86-Q88 PolarHBondContact O-N 3.31Å; P86-V89 WeakPolarHBondContact O-CB 3.23Å; P86-V89 PolarHBondContact O-N 2.84Å
87D46.2Very low49.2Very low105 Ų10593.4 Ų93.456%0.56148%0.48SS*.THydrogen-bonded Turntrans-71.8-26.6-175-68.1-34000112.2N85 V89 W90N85-D87 PolarHBondContact O-N 3.43Å; D87-V89 PolarHBondContact O-N 3.42Å; D87-V89 VanDerWaalsContact O-N 3.15Å; D87-W90 VanDerWaalsContact O-CD1 3.28Å; D87-W90 PolarHBondContact O-N 2.96Å
88Q44.1Very low46.5Very low84 Ų8497.7 Ų97.739%0.39351%0.511SS..Hα-helixtrans-60.4-24172-75.6-170.3-23.400113.9P86 W90 T92P86-Q88 VanDerWaalsContact C-N 3.34Å; P86-Q88 PolarHBondContact O-N 3.31Å; Q88-W90 VanDerWaalsContact C-N 3.34Å; Q88-W90 PolarHBondContact O-N 3.29Å; Q88-T92 PolarHBondContact O-OG1 3.01Å
89V40.7Very low44.1Very low73 Ų73104.8 Ų104.844%0.44255%0.548SS..Hα-helixtrans-70-32.5-178.4-175.80000111.3P86 D87P86-V89 WeakPolarHBondContact O-CB 3.23Å; P86-V89 PolarHBondContact O-N 2.84Å; D87-V89 PolarHBondContact O-N 3.42Å; D87-V89 VanDerWaalsContact O-N 3.15Å
90W32.5Very low42.2Very low165 Ų165109.5 Ų109.563%0.62557%0.567SS**Hα-helixtrans-80.5-31.6-173.7110-87.5000113.4D87 Q88 T94D87-W90 VanDerWaalsContact O-CD1 3.28Å; D87-W90 PolarHBondContact O-N 2.96Å; Q88-W90 VanDerWaalsContact C-N 3.34Å; Q88-W90 PolarHBondContact O-N 3.29Å; W90-T94 HydrophobicContact CE3-CG2 4.15Å; W90-T94 HydrophobicContact CZ3-CG2 4.21Å; W90-T94 WeakPolarHBondContact O-CG2 3.38Å; W90-T94 PolarHBondContact O-OG1 3.19Å
91E35.2Very low40.6Very low113 Ų113112.2 Ų112.253%0.52860%0.598SS.*Hα-helixtrans-76.8-37.8178.7-61.3-171.7146.900111.3E93 T94 I95E91-E93 PolarHBondContact O-N 3.15Å; E91-T94 PolarHBondContact O-N 3.4Å; E91-T94 PolarHBondContact O-OG1 3.4Å; E91-I95 WeakPolarHBondContact O-CG1 3.42Å; E91-I95 PolarHBondContact O-N 3.22Å
92T35.3Very low38.9Very low108 Ų108118.4 Ų118.466%0.66363%0.632SS**Hα-helixtrans-63.8-38.4178.7-43.80000112.8Q88Q88-T92 PolarHBondContact O-OG1 3.01Å
93E35Very low37.4Very low169 Ų169116.2 Ų116.279%0.7964%0.638SS**Hα-helixtrans-78.6-14.3179.3-70.6-161.3135.300114E91E91-E93 PolarHBondContact O-N 3.15Å
94T34.5Very low36.2Very low90 Ų90119.7 Ų119.755%0.55266%0.658SS**Hα-helixtrans-102.7-12-175.349.90000114.9W90 E91W90-T94 HydrophobicContact CE3-CG2 4.15Å; W90-T94 HydrophobicContact CZ3-CG2 4.21Å; W90-T94 WeakPolarHBondContact O-CG2 3.38Å; W90-T94 PolarHBondContact O-OG1 3.19Å; E91-T94 PolarHBondContact O-N 3.4Å; E91-T94 PolarHBondContact O-OG1 3.4Å
95I36.3Very low35.1Very low128 Ų128118.1 Ų118.166%0.65666%0.663SS**Hα-helixtrans-95.1-15.1-179.8-66.4171.2000112.6E91 E97E91-I95 WeakPolarHBondContact O-CG1 3.42Å; E91-I95 PolarHBondContact O-N 3.22Å; I95-E97 PolarHBondContact O-N 2.82Å
96G31.9Very low34.6Very low77 Ų77123.9 Ų123.979%0.79469%0.693SS**THydrogen-bonded Turntrans-66.71.5-171.700000118.4
97E31Very low34.3Very low190 Ų190125.5 Ų125.589%0.88870%0.698SS**THydrogen-bonded Turntrans-134.216.5-173.3-141.2177.4148.500115.9I95I95-E97 PolarHBondContact O-N 2.82Å
98S25.7Very low34.4Very low112 Ų112122.6 Ų122.678%0.78368%0.682SS**  trans-174102.6154.932.60000116.4
99D29.1Very low34.6Very low162 Ų162121.4 Ų121.487%0.86668%0.682SS**  -157.6167.7115.2-146.6-19.4000110.9
100F27.7Very low35.3Very low211 Ų211125 Ų12593%0.92570%0.699SS**  trans-136.269.6-176.1-159.7-85.5000109.9
101G30.7Very low36.4Very low70 Ų70122.5 Ų122.572%0.72270%0.696SS**  trans-132.8116.6-168.200000116.3
102D30Very low38.3Very low155 Ų155117.8 Ų117.883%0.82968%0.678SS**  trans7.799.3157.6-66.4-22.3000122
103S30.2Very low40.6Very low93 Ų93113.4 Ų113.465%0.6565%0.651SS**  69.4131.1122.975.50000122.9
104N28.5Very low43.1Very low165 Ų165105.5 Ų105.588%0.88261%0.614SS**  trans7729.3142.7-60.1-17000121.1
105S32.5Very low45.7Very low96 Ų96101.6 Ų101.667%0.67159%0.591SS**  trans-151.1106.114852.60000111.5D107S105-D107 PolarHBondContact O-N 2.89Å
106L38.8Very low48.4Very low159 Ų15996.5 Ų96.583%0.83256%0.563SS**  trans-87.693.5165.3-86.8164.9000107.8L108 M111L106-L108 PolarHBondContact O-N 3.47Å; L106-M111 HydrophobicContact CD2-CE 4.41Å
107D44.9Very low51.3Low111 Ų11196 Ų9659%0.59454%0.543SS*.  trans-70117.6174.4-85.2-40.4000110S105 S109 D110S105-D107 PolarHBondContact O-N 2.89Å; D107-S109 PolarHBondContact O-N 3.14Å; D107-D110 PolarHBondContact O-N 3Å
108L47.8Very low54.2Low44 Ų4487.1 Ų87.123%0.2350%0.501CS..G310 helixtrans-68.1-18.5-169.9-164.264000113.2L74 L106 D110 M111 V113L74-L108 HydrophobicContact CD2-CD1 4.05Å; L74-L108 HydrophobicContact CD2-CD2 4.43Å; L106-L108 PolarHBondContact O-N 3.47Å; L108-D110 VanDerWaalsContact C-N 3.34Å; L108-M111 HydrophobicContact CD1-CE 4.12Å; L108-V113 HydrophobicContact CD1-CB 3.95Å; L108-V113 HydrophobicContact CD1-CG1 4.02Å; L108-V113 HydrophobicContact CD2-CG1 4.47Å; L108-V113 HydrophobicContact CG-CB 4.09Å; L108-V113 HydrophobicContact CG-CG1 4.31Å
109S48.4Very low57.3Low58 Ų5884.5 Ų84.541%0.40648%0.48SS..G310 helixtrans-61.4-38.1173.846.30000113D107 M111 G112D107-S109 PolarHBondContact O-N 3.14Å; S109-M111 PolarHBondContact O-N 3.24Å; S109-M111 VanDerWaalsContact O-N 3.17Å; S109-G112 PolarHBondContact O-N 3.3Å; S109-G112 VanDerWaalsContact O-N 3.09Å
110D55Low60Low150 Ų15085.1 Ų85.180%0.80248%0.478SS*.G310 helixtrans-71.3-13.8-172.1-150.348.2000113.1D107 L108D107-D110 PolarHBondContact O-N 3Å; L108-D110 VanDerWaalsContact C-N 3.34Å
111M56.4Low62.9Low111 Ų11183.2 Ų83.255%0.54748%0.477SS..G310 helixtrans-102.7-2.5175.6-68.7-176.7-76.100113.7L106 L108 S109 V113L106-M111 HydrophobicContact CD2-CE 4.41Å; L108-M111 HydrophobicContact CD1-CE 4.12Å; S109-M111 PolarHBondContact O-N 3.24Å; S109-M111 VanDerWaalsContact O-N 3.17Å; M111-V113 HydrophobicContact CB-CG2 3.95Å
112G74.1Confident65.6Low15 Ų1580.8 Ų80.816%0.15545%0.453CS..THydrogen-bonded Turntrans60.452.3-17500000112.9S76 C77 S109 A133S76-G112 CarbonylContact C-O 3.29Å; S76-G112 WeakPolarHBondContact CA-O 3.09Å; C77-G112 PolarHBondContact N-O 3.38Å; C77-G112 PolarHBondContact SG-O 3.45Å; C77-G112 VanDerWaalsContact SG-O 3.35Å; S109-G112 PolarHBondContact O-N 3.3Å; S109-G112 VanDerWaalsContact O-N 3.09Å; G112-A133 WeakPolarHBondContact CA-O 3.28Å
113V83.7Confident68.5Low16 Ų1675.2 Ų75.210%0.09742%0.42CS..EExtended strand (participates in β ladder)trans-126.3134.4-174.8178.10000111.8L74 L108 M111L74-V113 HydrophobicContact CB-CG1 3.86Å; L74-V113 HydrophobicContact CD2-CG1 3.99Å; L74-V113 HydrophobicContact CG-CG1 4.42Å; L108-V113 HydrophobicContact CD1-CB 3.95Å; L108-V113 HydrophobicContact CD1-CG1 4.02Å; L108-V113 HydrophobicContact CD2-CG1 4.47Å; L108-V113 HydrophobicContact CG-CB 4.09Å; L108-V113 HydrophobicContact CG-CG1 4.31Å; M111-V113 HydrophobicContact CB-CG2 3.95Å
114V87.7Confident71.5Confident2 Ų272.4 Ų72.41%0.01240%0.401CS..EExtended strand (participates in β ladder)trans-107.5138.9173.2175.20000109.5W64 L74 V75 P126 Y130 A133W64-V114 HydrophobicContact CH2-CG1 4.32Å; W64-V114 HydrophobicContact CZ2-CG1 4.29Å; L74-V114 WeakPolarHBondContact CA-O 3.49Å; V75-V114 PolarHBondContact N-O 2.86Å; V75-V114 PolarHBondContact O-N 3Å; V114-P126 HydrophobicContact CG1-CB 3.46Å; V114-P126 VanDerWaalsContact CG1-CB 3.46Å; V114-Y130 HydrophobicContact CB-CE1 4.16Å; V114-Y130 HydrophobicContact CG1-CE1 4.13Å; V114-Y130 HydrophobicContact CG2-CD1 3.7Å; V114-Y130 HydrophobicContact CG2-CE1 3.83Å; V114-Y130 HydrophobicContact CG2-CG 4.4Å; V114-A133 HydrophobicContact CG2-CB 3.44Å; V114-A133 VanDerWaalsContact CG2-CB 3.44Å
115S90.4Very high74.4Confident9 Ų971.5 Ų71.56%0.06339%0.391CS..EExtended strand (participates in β ladder)trans-116148.9176.673.60000112.5V73 P126 F127V73-S115 CarbonylContact O-C 3.44Å; V73-S115 VanDerWaalsContact O-CA 3.29Å; V73-S115 WeakPolarHBondContact O-CA 3.38Å; S115-P126 WeakPolarHBondContact O-CA 3.4Å; S115-F127 WeakPolarHBondContact CB-O 3.3Å; S115-F127 PolarHBondContact N-O 3.46Å; S115-F127 PolarHBondContact O-N 3.5Å; S115-F127 PolarHBondContact OG-O 2.93Å
116R92.3Very high77Confident21 Ų2167.7 Ų67.78%0.07936%0.364CS..EExtended strand (participates in β ladder)trans-136.9138167.7-65.2-179.691.1133.310.4109.3D59 W64 V73 W123 S124 E125 P126D59-R116 IonicContact OD2-NH1 3.45Å; D59-R116 PolarHBondContact OD2-NH1 3.05Å; W64-R116 HydrophobicContact CD2-CG 4.37Å; W64-R116 HydrophobicContact CE3-CB 4.01Å; W64-R116 HydrophobicContact CE3-CG 4.21Å; W64-R116 HydrophobicContact CH2-CB 3.93Å; W64-R116 HydrophobicContact CH2-CG 3.53Å; W64-R116 HydrophobicContact CZ2-CB 4.45Å; W64-R116 HydrophobicContact CZ2-CG 3.67Å; W64-R116 HydrophobicContact CZ3-CB 3.66Å; W64-R116 HydrophobicContact CZ3-CG 3.79Å; V73-R116 PolarHBondContact N-O 3.28Å; V73-R116 PolarHBondContact O-N 3.41Å; R116-W123 HydrophobicContact CB-CE3 3.88Å; R116-W123 HydrophobicContact CB-CZ3 4.22Å; R116-S124 VanDerWaalsContact CZ-O 3.23Å; R116-S124 PolarHBondContact NE-O 2.9Å; R116-S124 PolarHBondContact NH2-O 2.94Å; R116-E125 IonicContact NH2-OE2 3.11Å; R116-P126 HydrophobicContact CG-CB 4.22Å
117N92.1Very high79.3Confident67 Ų6767.5 Ų67.536%0.35836%0.357SS..EExtended strand (participates in β ladder)trans-93.3140.5173.9-69.4-36.3000110.2M72 S124M72-N117 VanDerWaalsContact CB-OD1 3.29Å; M72-N117 WeakPolarHBondContact CB-OD1 3.29Å; M72-N117 VanDerWaalsContact CE-OD1 3.28Å; M72-N117 WeakPolarHBondContact CE-OD1 3.36Å; M72-N117 WeakPolarHBondContact CG-OD1 3.11Å; N117-S124 PolarHBondContact N-OG 2.94Å; N117-S124 PolarHBondContact O-N 3.29Å
118C92.1Very high81.3Confident3 Ų363 Ų632%0.0233%0.334CS..EExtended strand (participates in β ladder)trans-87.5122.3165.5179.40000110.5C54 A67 H68 G70 E71 W123C54-C118 HydrophobicContact CB-CB 3.87Å; C54-C118 WeakPolarHBondContact CB-SG 3.5Å; C54-C118 PolarHBondContact N-SG 3.34Å; C54-C118 WeakPolarHBondContact SG-CA 3.4Å; C54-C118 WeakPolarHBondContact SG-CB 3.41Å; C54-C118 CovalentContact SG-SG 2.04Å; C54-C118 PolarHBondContact SG-SG 3.14Å; A67-C118 HydrophobicContact CB-CB 4.02Å; H68-C118 VanDerWaalsContact C-SG 3.59Å; H68-C118 VanDerWaalsContact O-CB 3.31Å; H68-C118 WeakPolarHBondContact O-CB 3.4Å; H68-C118 PolarHBondContact O-SG 3.22Å; G70-C118 PolarHBondContact N-O 3.25Å; E71-C118 PolarHBondContact O-N 3.35Å; C118-W123 HydrophobicContact CB-CE3 4.43Å; C118-W123 HydrophobicContact CB-CZ3 4.26Å
119T90.5Very high83.1Confident56 Ų5666 Ų6634%0.34435%0.346SS..EExtended strand (participates in β ladder)trans-116.6171.2-178.974.40000110.8D121 G122T119-D121 PolarHBondContact O-N 2.99Å; T119-D121 PolarHBondContact OG1-N 2.78Å; T119-G122 WeakPolarHBondContact CA-O 3.12Å; T119-G122 WeakPolarHBondContact CB-O 3.41Å; T119-G122 PolarHBondContact N-O 3.08Å; T119-G122 PolarHBondContact O-N 3.29Å; T119-G122 PolarHBondContact OG1-N 3.47Å; T119-G122 PolarHBondContact OG1-O 3.17Å
120E87.4Confident84.6Confident176 Ų17664 Ų6482%0.82233%0.33SS*.THydrogen-bonded Turntrans-62-29.1176.3-66.6-175.5173.700112.7V69V69-E120 HydrophobicContact CG1-CG 3.7Å
121D87Confident85.7Confident170 Ų17059.5 Ų59.591%0.90930%0.304SS*.THydrogen-bonded Turntrans-85-5.8175.3-63.9-59.2000113.5T119T119-D121 PolarHBondContact O-N 2.99Å; T119-D121 PolarHBondContact OG1-N 2.78Å
122G88.2Confident86.7Confident20 Ų2059 Ų5921%0.20630%0.303CS..EExtended strand (participates in β ladder)trans117.7-154.8-177.200000114.1T119T119-G122 WeakPolarHBondContact CA-O 3.12Å; T119-G122 WeakPolarHBondContact CB-O 3.41Å; T119-G122 PolarHBondContact N-O 3.08Å; T119-G122 PolarHBondContact O-N 3.29Å; T119-G122 PolarHBondContact OG1-N 3.47Å; T119-G122 PolarHBondContact OG1-O 3.17Å
123W91.1Very high86.9Confident38 Ų3858.4 Ų58.414%0.14430%0.296CS..EExtended strand (participates in β ladder)trans-71.3136.1-179-71.7110.6000112.6C54 P55 M57 W64 K65 A67 V73 R116 C118C54-W123 HydrophobicContact CB-CD2 3.83Å; C54-W123 VanDerWaalsContact CB-CE2 3.44Å; C54-W123 HydrophobicContact CB-CE3 4.46Å; C54-W123 HydrophobicContact CB-CG 4.14Å; C54-W123 HydrophobicContact CB-CH2 4.44Å; C54-W123 HydrophobicContact CB-CZ2 3.78Å; P55-W123 PolarHBondContact O-NE1 3.37Å; M57-W123 HydrophobicContact SD-CG 4.14Å; W64-W123 HydrophobicContact CB-CZ2 4.17Å; W64-W123 HydrophobicContact CE3-CZ3 4.35Å; K65-W123 WeakPolarHBondContact O-CH2 3.45Å; K65-W123 WeakPolarHBondContact O-CZ2 3.48Å; A67-W123 HydrophobicContact CB-CH2 3.51Å; A67-W123 HydrophobicContact CB-CZ2 4.07Å; A67-W123 HydrophobicContact CB-CZ3 4.25Å; V73-W123 HydrophobicContact CB-CH2 4.24Å; V73-W123 HydrophobicContact CB-CZ3 4.17Å; V73-W123 HydrophobicContact CG2-CH2 3.78Å; V73-W123 HydrophobicContact CG2-CZ3 3.99Å; R116-W123 HydrophobicContact CB-CE3 3.88Å; R116-W123 HydrophobicContact CB-CZ3 4.22Å; C118-W123 HydrophobicContact CB-CE3 4.43Å; C118-W123 HydrophobicContact CB-CZ3 4.26Å
124S92.1Very high86.6Confident34 Ų3457.8 Ų57.824%0.23829%0.293CS..PPolyproline II helixtrans-65.6168165.276.80000111.7R116 N117R116-S124 VanDerWaalsContact CZ-O 3.23Å; R116-S124 PolarHBondContact NE-O 2.9Å; R116-S124 PolarHBondContact NH2-O 2.94Å; N117-S124 PolarHBondContact N-OG 2.94Å; N117-S124 PolarHBondContact O-N 3.29Å
125E89.7Confident85.6Confident145 Ų14558.7 Ų58.768%0.67830%0.302SS*.PPolyproline II helixtrans-62.1156.4161.2-67-49.9144.600112R116R116-E125 IonicContact NH2-OE2 3.11Å
126P87.6Confident84.2Confident17 Ų1762.4 Ų62.411%0.1132%0.317CS..PPolyproline II helixtrans-70.1136.1176.229.2-33.3000111.7V114 S115 R116 Y130V114-P126 HydrophobicContact CG1-CB 3.46Å; V114-P126 VanDerWaalsContact CG1-CB 3.46Å; S115-P126 WeakPolarHBondContact O-CA 3.4Å; R116-P126 HydrophobicContact CG-CB 4.22Å; P126-Y130 HydrophobicContact CB-CD2 4.48Å; P126-Y130 HydrophobicContact CB-CE2 4.09Å; P126-Y130 HydrophobicContact CG-CD2 4.28Å; P126-Y130 HydrophobicContact CG-CE2 4.05Å
127F88Confident82.5Confident154 Ų15466.7 Ų66.768%0.67534%0.342SS*.BIsolated β-bridgetrans-140130.2177.3-174.1-95.5000111.9S115S115-F127 WeakPolarHBondContact CB-O 3.3Å; S115-F127 PolarHBondContact N-O 3.46Å; S115-F127 PolarHBondContact O-N 3.5Å; S115-F127 PolarHBondContact OG-O 2.93Å
128P87Confident80.6Confident18 Ų1871.2 Ų71.212%0.11736%0.361CS..SBendcis-57.2166.9-14.921.9-28.7000112.2D132 A133P128-D132 HydrophobicContact CB-CB 4.34Å; P128-A133 HydrophobicContact CB-CB 4.41Å; P128-A133 HydrophobicContact CG-CB 3.91Å
129H84.2Confident78.5Confident106 Ų10680.4 Ų80.449%0.49140%0.397SS..  trans-69.3152179.7-174-112.8000109.8F131 D132 A133H129-F131 WeakPolarHBondContact ND1-CB 3.41Å; H129-F131 PolarHBondContact O-N 3.3Å; H129-D132 WeakPolarHBondContact CB-OD2 3.35Å; H129-D132 PolarHBondContact N-OD2 3.17Å; H129-D132 PolarHBondContact O-N 3.1Å; H129-A133 VanDerWaalsContact O-CB 3.32Å; H129-A133 WeakPolarHBondContact O-CB 3.46Å; H129-A133 PolarHBondContact O-N 3.3Å
130Y80.4Confident76.5Confident15 Ų1582.4 Ų82.46%0.05940%0.402CS..Hα-helixtrans-55.1-30.3-178.1-71-75.4000113.5D59 I61 T62 V114 P126 C134D59-Y130 PolarHBondContact OD1-OH 3.5Å; D59-Y130 PolarHBondContact OD2-OH 2.88Å; I61-Y130 HydrophobicContact CB-CE1 4.32Å; I61-Y130 HydrophobicContact CB-CE2 4.34Å; I61-Y130 HydrophobicContact CD1-CD2 3.65Å; I61-Y130 HydrophobicContact CD1-CE2 3.93Å; I61-Y130 HydrophobicContact CD1-CG 3.97Å; I61-Y130 HydrophobicContact CG2-CD1 3.99Å; I61-Y130 HydrophobicContact CG2-CE1 3.89Å; I61-Y130 HydrophobicContact CG2-CG 4.44Å; T62-Y130 HydrophobicContact CG2-CE1 3.64Å; T62-Y130 PolarHBondContact OG1-OH 3.01Å; V114-Y130 HydrophobicContact CB-CE1 4.16Å; V114-Y130 HydrophobicContact CG1-CE1 4.13Å; V114-Y130 HydrophobicContact CG2-CD1 3.7Å; V114-Y130 HydrophobicContact CG2-CE1 3.83Å; V114-Y130 HydrophobicContact CG2-CG 4.4Å; P126-Y130 HydrophobicContact CB-CD2 4.48Å; P126-Y130 HydrophobicContact CB-CE2 4.09Å; P126-Y130 HydrophobicContact CG-CD2 4.28Å; P126-Y130 HydrophobicContact CG-CE2 4.05Å; Y130-C134 VanDerWaalsContact O-CB 3.22Å; Y130-C134 WeakPolarHBondContact O-CB 3.39Å; Y130-C134 PolarHBondContact O-N 3.36Å
131F77.2Confident74.5Confident57 Ų5779.6 Ų79.625%0.2540%0.402CS..Hα-helixtrans-56.4-58171.5-172.6-73.9000111.4H129 G135 F136 D137 E138 Y139H129-F131 WeakPolarHBondContact ND1-CB 3.41Å; H129-F131 PolarHBondContact O-N 3.3Å; F131-G135 WeakPolarHBondContact O-CA 3.3Å; F131-G135 PolarHBondContact O-N 3.48Å; F131-F136 WeakPolarHBondContact CD2-O 3.2Å; F131-F136 WeakPolarHBondContact CE2-O 3.19Å; F131-F136 PolarHBondContact O-N 2.83Å; F131-D137 WeakPolarHBondContact CZ-OD1 3.41Å; F131-E138 HydrophobicContact CE2-CB 3.89Å; F131-Y139 HydrophobicContact CZ-CD2 4.19Å
132D77.4Confident72.8Confident101 Ų10177 Ų7754%0.5438%0.384SS..Hα-helixtrans-73.1-34-176-32.6-56.4000111.9P128 H129P128-D132 HydrophobicContact CB-CB 4.34Å; H129-D132 WeakPolarHBondContact CB-OD2 3.35Å; H129-D132 PolarHBondContact N-OD2 3.17Å; H129-D132 PolarHBondContact O-N 3.1Å
133A78.9Confident71.3Confident1 Ų179.9 Ų79.91%0.00840%0.398CS..Hα-helixtrans-77.3-35.5-176.100000113.1C77 G112 V114 P128 H129C77-A133 PolarHBondContact SG-O 2.78Å; C77-A133 VanDerWaalsContact SG-O 3.37Å; G112-A133 WeakPolarHBondContact CA-O 3.28Å; V114-A133 HydrophobicContact CG2-CB 3.44Å; V114-A133 VanDerWaalsContact CG2-CB 3.44Å; P128-A133 HydrophobicContact CB-CB 4.41Å; P128-A133 HydrophobicContact CG-CB 3.91Å; H129-A133 VanDerWaalsContact O-CB 3.32Å; H129-A133 WeakPolarHBondContact O-CB 3.46Å; H129-A133 PolarHBondContact O-N 3.3Å
134C78Confident69.8Low3 Ų380.5 Ų80.52%0.0242%0.417CS..Hα-helixtrans-117.75.6-171.5-46.40000113.3C77 F81 Y130C77-C134 HydrophobicContact CB-CB 3.79Å; C77-C134 WeakPolarHBondContact CB-SG 3.41Å; C77-C134 WeakPolarHBondContact SG-CA 3.31Å; C77-C134 WeakPolarHBondContact SG-CB 3.26Å; C77-C134 CovalentContact SG-SG 2.04Å; C77-C134 PolarHBondContact SG-SG 3.23Å; F81-C134 HydrophobicContact CB-CB 3.85Å; F81-C134 HydrophobicContact CD1-CB 3.65Å; F81-C134 HydrophobicContact CD2-CB 4.16Å; F81-C134 HydrophobicContact CE1-CB 4.24Å; F81-C134 HydrophobicContact CG-CB 3.61Å; Y130-C134 VanDerWaalsContact O-CB 3.22Å; Y130-C134 WeakPolarHBondContact O-CB 3.39Å; Y130-C134 PolarHBondContact O-N 3.36Å
135G66.3Low68.5Low21 Ų2182.5 Ų82.522%0.21643%0.425CS..THydrogen-bonded Turntrans65.244.6172.700000114.5F131 D137F131-G135 WeakPolarHBondContact O-CA 3.3Å; F131-G135 PolarHBondContact O-N 3.48Å; G135-D137 PolarHBondContact O-N 3.47Å
136F61.2Low67.6Low87 Ų8778.2 Ų78.238%0.38241%0.405SS..  trans-95.173.1-179.6-164.1-93.6000111.5F81 F84 F131 E138F81-F136 HydrophobicContact CD1-CB 4.22Å; F81-F136 HydrophobicContact CD1-CD2 4.01Å; F81-F136 HydrophobicContact CE1-CB 4.02Å; F81-F136 AromaticContact CE1-CD2 3.81Å; F81-F136 HydrophobicContact CE1-CD2 3.81Å; F81-F136 HydrophobicContact CE1-CG 4.12Å; F84-F136 HydrophobicContact CD2-CD2 4.45Å; F84-F136 HydrophobicContact CD2-CE2 4.17Å; F84-F136 HydrophobicContact CE2-CE2 4.31Å; F84-F136 HydrophobicContact CG-CE2 4.3Å; F131-F136 WeakPolarHBondContact CD2-O 3.2Å; F131-F136 WeakPolarHBondContact CE2-O 3.19Å; F131-F136 PolarHBondContact O-N 2.83Å; F136-E138 PolarHBondContact O-N 2.88Å
137D55.9Low66.8Low112 Ų11283.1 Ų83.160%0.59943%0.43SS*.  trans-71.888.2-172.3-111.4-41.6000113.5F131 G135 Y139 E140F131-D137 WeakPolarHBondContact CZ-OD1 3.41Å; G135-D137 PolarHBondContact O-N 3.47Å; D137-Y139 PolarHBondContact O-N 3.35Å; D137-E140 PolarHBondContact O-N 2.81Å
138E52.1Low66.5Low161 Ų16183.3 Ų83.375%0.75243%0.427SS*.THydrogen-bonded Turntrans-65.51.7176-155.5176.9-156.200113.5F131 F136F131-E138 HydrophobicContact CE2-CB 3.89Å; F136-E138 PolarHBondContact O-N 2.88Å
139Y48.2Very low66.2Low196 Ų19683.9 Ų83.977%0.76943%0.427SS*.THydrogen-bonded Turntrans-90.45.1177.6-78.9-76.9000115.2F131 D137 S141F131-Y139 HydrophobicContact CZ-CD2 4.19Å; D137-Y139 PolarHBondContact O-N 3.35Å; Y139-S141 PolarHBondContact O-N 2.99Å
140E47.9Very low66.1Low98 Ų9884.5 Ų84.546%0.45843%0.426SS..  trans-66.877.3163.4-88.3-138.7141.900111.9D137 E142 T143 Q146D137-E140 PolarHBondContact O-N 2.81Å; E140-E142 PolarHBondContact O-N 2.68Å; E140-E142 VanDerWaalsContact O-N 3.08Å; E140-T143 HydrophobicContact CB-CG2 4.06Å; E140-T143 WeakPolarHBondContact O-CG2 3.42Å; E140-T143 PolarHBondContact O-N 3.13Å; E140-T143 VanDerWaalsContact O-N 3.13Å; E140-T143 PolarHBondContact O-OG1 3.48Å; E140-Q146 PolarHBondContact OE1-NE2 3.37Å; E140-Q146 PolarHBondContact OE2-NE2 3.04Å
141S45.7Very low66.3Low118 Ų11888.9 Ų88.983%0.82545%0.45SS*.THydrogen-bonded Turntrans-64.6-1.3165.1560000113.8Y139Y139-S141 PolarHBondContact O-N 2.99Å
142E52.4Low66.8Low114 Ų11488.5 Ų88.553%0.53345%0.454SS..THydrogen-bonded Turntrans-85.9-11.8170-63.7-155.517700114.4E140 G144 D145 Q146E140-E142 PolarHBondContact O-N 2.68Å; E140-E142 VanDerWaalsContact O-N 3.08Å; E142-G144 PolarHBondContact O-N 3.26Å; E142-G144 VanDerWaalsContact O-N 3.09Å; E142-D145 WeakPolarHBondContact O-CA 3.38Å; E142-D145 PolarHBondContact O-N 3.01Å; E142-Q146 PolarHBondContact O-N 3.49Å
143T55.3Low67.3Low81 Ų8184 Ų8450%0.49743%0.43SS..Hα-helixtrans-46.8-42.6179.439.60000113.2E140 D145 Q146 D147E140-T143 HydrophobicContact CB-CG2 4.06Å; E140-T143 WeakPolarHBondContact O-CG2 3.42Å; E140-T143 PolarHBondContact O-N 3.13Å; E140-T143 VanDerWaalsContact O-N 3.13Å; E140-T143 PolarHBondContact O-OG1 3.48Å; T143-D145 PolarHBondContact O-N 3.34Å; T143-Q146 PolarHBondContact O-N 2.87Å; T143-D147 PolarHBondContact O-N 2.95Å
144G59.3Low67.7Low52 Ų5286.2 Ų86.254%0.53644%0.44SS..Hα-helixtrans-66.8-27177.100000115.6E142 Y148E142-G144 PolarHBondContact O-N 3.26Å; E142-G144 VanDerWaalsContact O-N 3.09Å; G144-Y148 VanDerWaalsContact O-CB 3.32Å; G144-Y148 WeakPolarHBondContact O-CB 3.3Å; G144-Y148 PolarHBondContact O-N 3.44Å
145D66.3Low68.2Low75 Ų7588.7 Ų88.740%0.40146%0.461SS..Hα-helixtrans-79.1-37.6170.9-179.168.2000110.9E142 T143 Y148 Y149 R379E142-D145 WeakPolarHBondContact O-CA 3.38Å; E142-D145 PolarHBondContact O-N 3.01Å; T143-D145 PolarHBondContact O-N 3.34Å; D145-Y148 PolarHBondContact O-N 2.81Å; D145-Y149 WeakPolarHBondContact O-CB 3.5Å; D145-Y149 PolarHBondContact O-N 3.11Å; D145-R379 IonicContact OD1-NH1 2.68Å; D145-R379 IonicContact OD2-CZ 3.55Å; D145-R379 IonicContact OD2-NH1 2.71Å; D145-R379 PolarHBondContact OD2-NH1 3.35Å; D145-R379 IonicContact OD2-NH2 3.63Å; D145-R379 PolarHBondContact OD2-NH2 2.98Å
146Q69.3Low69.4Low56 Ų5690.9 Ų90.926%0.26247%0.467SS..Hα-helixtrans-61.7-49.6175.8-62.4-161.241.300111.8E140 E142 T143 Y148 Y149 Y150E140-Q146 PolarHBondContact OE1-NE2 3.37Å; E140-Q146 PolarHBondContact OE2-NE2 3.04Å; E142-Q146 PolarHBondContact O-N 3.49Å; T143-Q146 PolarHBondContact O-N 2.87Å; Q146-Y148 PolarHBondContact O-N 2.92Å; Q146-Y149 WeakPolarHBondContact O-CB 3.28Å; Q146-Y149 PolarHBondContact O-N 3.41Å; Q146-Y150 HydrophobicContact CB-CE2 4.34Å; Q146-Y150 WeakPolarHBondContact O-CD2 3.32Å; Q146-Y150 PolarHBondContact O-N 3.41Å
147D71.2Confident70.9Confident119 Ų11987.6 Ų87.664%0.63645%0.452SS*.Hα-helixtrans-60.2-46.4176.6-92-17.2000112.1T143 Y149 Y150 L151T143-D147 PolarHBondContact O-N 2.95Å; D147-Y149 VanDerWaalsContact C-N 3.29Å; D147-Y149 PolarHBondContact O-N 3.34Å; D147-Y150 PolarHBondContact O-N 3.48Å; D147-L151 VanDerWaalsContact O-CB 3.27Å; D147-L151 WeakPolarHBondContact O-CB 3.48Å; D147-L151 PolarHBondContact O-N 3.42Å
148Y81.1Confident72.7Confident159 Ų15984.5 Ų84.562%0.62444%0.437SS*.Hα-helixtrans-62.1-38.2177.1-178.6-99.9000111.9G144 D145 Q146 S152G144-Y148 VanDerWaalsContact O-CB 3.32Å; G144-Y148 WeakPolarHBondContact O-CB 3.3Å; G144-Y148 PolarHBondContact O-N 3.44Å; D145-Y148 PolarHBondContact O-N 2.81Å; Q146-Y148 PolarHBondContact O-N 2.92Å; Y148-S152 WeakPolarHBondContact O-CB 3.23Å; Y148-S152 PolarHBondContact O-N 3.38Å; Y148-S152 PolarHBondContact O-OG 3.47Å
149Y82.1Confident74.7Confident29 Ų2980.9 Ų80.911%0.11443%0.426CS..Hα-helixtrans-64.1-51.5175.2167.6-95.6000111.8D145 Q146 D147 L151 S152 V153 R379 L382 V383D145-Y149 WeakPolarHBondContact O-CB 3.5Å; D145-Y149 PolarHBondContact O-N 3.11Å; Q146-Y149 WeakPolarHBondContact O-CB 3.28Å; Q146-Y149 PolarHBondContact O-N 3.41Å; D147-Y149 VanDerWaalsContact C-N 3.29Å; D147-Y149 PolarHBondContact O-N 3.34Å; Y149-L151 VanDerWaalsContact C-N 3.34Å; Y149-L151 PolarHBondContact O-N 2.93Å; Y149-S152 PolarHBondContact O-N 3.46Å; Y149-V153 HydrophobicContact CD2-CG2 4.29Å; Y149-V153 HydrophobicContact CE1-CG2 4.2Å; Y149-V153 HydrophobicContact CE2-CG2 3.72Å; Y149-V153 WeakPolarHBondContact O-CG2 3.29Å; Y149-V153 PolarHBondContact O-N 3.25Å; Y149-R379 HydrophobicContact CD2-CG 3.83Å; Y149-R379 HydrophobicContact CE1-CG 4.14Å; Y149-R379 HydrophobicContact CE2-CB 4.47Å; Y149-R379 HydrophobicContact CE2-CG 3.33Å; Y149-R379 HydrophobicContact CG-CG 4.4Å; Y149-R379 WeakPolarHBondContact OH-CA 3.47Å; Y149-R379 PolarHBondContact OH-O 2.87Å; Y149-L382 HydrophobicContact CE1-CD2 4.02Å; Y149-L382 WeakPolarHBondContact OH-CB 3.45Å; Y149-V383 HydrophobicContact CE2-CG2 3.71Å
150Y81.7Confident77Confident120 Ų12071.5 Ų71.547%0.47139%0.389SS..Hα-helixtrans-62.7-40.9179-72.8-61.1000111.7Q146 D147 S152 V153 K154 L382Q146-Y150 HydrophobicContact CB-CE2 4.34Å; Q146-Y150 WeakPolarHBondContact O-CD2 3.32Å; Q146-Y150 PolarHBondContact O-N 3.41Å; D147-Y150 PolarHBondContact O-N 3.48Å; Y150-S152 VanDerWaalsContact C-N 3.35Å; Y150-S152 PolarHBondContact O-N 3.04Å; Y150-V153 PolarHBondContact O-N 3.49Å; Y150-K154 VanDerWaalsContact O-CB 3.29Å; Y150-K154 WeakPolarHBondContact O-CB 3.49Å; Y150-K154 PolarHBondContact O-N 3.4Å; Y150-L382 HydrophobicContact CD1-CD2 4.4Å; Y150-L382 HydrophobicContact CE1-CD2 4.34Å
151L84.1Confident79.3Confident107 Ų10767.6 Ų67.656%0.5637%0.371SS*.Hα-helixtrans-63.5-38.8174.6-177.360.4000112.2D147 Y149 K154 A155D147-L151 VanDerWaalsContact O-CB 3.27Å; D147-L151 WeakPolarHBondContact O-CB 3.48Å; D147-L151 PolarHBondContact O-N 3.42Å; Y149-L151 VanDerWaalsContact C-N 3.34Å; Y149-L151 PolarHBondContact O-N 2.93Å; L151-K154 WeakPolarHBondContact O-CB 3.21Å; L151-K154 PolarHBondContact O-N 3.42Å; L151-A155 PolarHBondContact O-N 3.21Å
152S87.4Confident81.7Confident48 Ų4864.3 Ų64.334%0.33635%0.347SS..Hα-helixtrans-67.5-42.6176.9-65.40000112.3Y148 Y149 Y150 A155 L156Y148-S152 WeakPolarHBondContact O-CB 3.23Å; Y148-S152 PolarHBondContact O-N 3.38Å; Y148-S152 PolarHBondContact O-OG 3.47Å; Y149-S152 PolarHBondContact O-N 3.46Å; Y150-S152 VanDerWaalsContact C-N 3.35Å; Y150-S152 PolarHBondContact O-N 3.04Å; S152-A155 PolarHBondContact O-N 3.36Å; S152-L156 WeakPolarHBondContact O-CB 3.36Å; S152-L156 PolarHBondContact O-N 2.95Å
153V88.1Confident83.8Confident6 Ų661.2 Ų61.24%0.03634%0.336CS..Hα-helixtrans-65.6-39.5174.5173.30000111.1Y149 Y150 L156 Y157 L382 V383 L386Y149-V153 HydrophobicContact CD2-CG2 4.29Å; Y149-V153 HydrophobicContact CE1-CG2 4.2Å; Y149-V153 HydrophobicContact CE2-CG2 3.72Å; Y149-V153 WeakPolarHBondContact O-CG2 3.29Å; Y149-V153 PolarHBondContact O-N 3.25Å; Y150-V153 PolarHBondContact O-N 3.49Å; V153-L156 WeakPolarHBondContact O-CB 3.18Å; V153-L156 PolarHBondContact O-N 2.85Å; V153-Y157 HydrophobicContact CG1-CD1 4.04Å; V153-Y157 HydrophobicContact CG1-CE1 4.35Å; V153-Y157 WeakPolarHBondContact O-CD1 3.45Å; V153-Y157 PolarHBondContact O-N 3.12Å; V153-L382 HydrophobicContact CB-CD2 4.46Å; V153-L382 HydrophobicContact CG1-CD2 3.89Å; V153-L382 HydrophobicContact CG1-CG 4.08Å; V153-L382 HydrophobicContact CG2-CD2 4.44Å; V153-V383 HydrophobicContact CG2-CG2 3.82Å; V153-L386 HydrophobicContact CG1-CD2 4.34Å
154K88Confident85.8Confident48 Ų4857.5 Ų57.521%0.20931%0.314CS..Hα-helixtrans-56.9-53.3172.2178.6177.5177.8-1780111.6Y150 L151 L156 Y157 T158 Y211Y150-K154 VanDerWaalsContact O-CB 3.29Å; Y150-K154 WeakPolarHBondContact O-CB 3.49Å; Y150-K154 PolarHBondContact O-N 3.4Å; L151-K154 WeakPolarHBondContact O-CB 3.21Å; L151-K154 PolarHBondContact O-N 3.42Å; K154-L156 VanDerWaalsContact C-N 3.3Å; K154-L156 PolarHBondContact O-N 3.17Å; K154-Y157 VanDerWaalsContact CA-CE1 3.46Å; K154-Y157 HydrophobicContact CB-CE1 4.2Å; K154-Y157 HydrophobicContact CG-CE2 4.41Å; K154-Y157 PolarHBondContact O-N 3.36Å; K154-T158 WeakPolarHBondContact O-CB 3.48Å; K154-T158 PolarHBondContact O-N 3.42Å; K154-T158 PolarHBondContact O-OG1 3Å; K154-Y211 HydrophobicContact CD-CD2 4.25Å; K154-Y211 HydrophobicContact CD-CE1 4.32Å; K154-Y211 HydrophobicContact CD-CE2 3.75Å; K154-Y211 VanDerWaalsContact CE-CD2 3.47Å; K154-Y211 VanDerWaalsContact CE-CE2 3.48Å
155A89.3Confident87.6Confident56 Ų5656.7 Ų56.746%0.46330%0.297SS..Hα-helixtrans-56.6-43.2176.500000112.3L151 S152 T158 V159L151-A155 PolarHBondContact O-N 3.21Å; S152-A155 PolarHBondContact O-N 3.36Å; A155-T158 PolarHBondContact O-N 2.99Å; A155-V159 WeakPolarHBondContact O-CG2 3.43Å; A155-V159 PolarHBondContact O-N 2.94Å
156L91.1Very high89Confident66 Ų6657.8 Ų57.835%0.34631%0.306SS..Hα-helixtrans-59.7-53.6178.217963000112.3S152 V153 K154 V159 G160 F391S152-L156 WeakPolarHBondContact O-CB 3.36Å; S152-L156 PolarHBondContact O-N 2.95Å; V153-L156 WeakPolarHBondContact O-CB 3.18Å; V153-L156 PolarHBondContact O-N 2.85Å; K154-L156 VanDerWaalsContact C-N 3.3Å; K154-L156 PolarHBondContact O-N 3.17Å; L156-V159 PolarHBondContact O-N 3.46Å; L156-G160 PolarHBondContact O-N 3.09Å; L156-F391 HydrophobicContact CD1-CE2 4.19Å
157Y93.2Very high90.4Very high18 Ų1856.4 Ų56.47%0.07130%0.301CS..Hα-helixtrans-71-31.1-179.470-119.4000112.5V153 K154 G160 Y161 V203 D207 L386V153-Y157 HydrophobicContact CG1-CD1 4.04Å; V153-Y157 HydrophobicContact CG1-CE1 4.35Å; V153-Y157 WeakPolarHBondContact O-CD1 3.45Å; V153-Y157 PolarHBondContact O-N 3.12Å; K154-Y157 VanDerWaalsContact CA-CE1 3.46Å; K154-Y157 HydrophobicContact CB-CE1 4.2Å; K154-Y157 HydrophobicContact CG-CE2 4.41Å; K154-Y157 PolarHBondContact O-N 3.36Å; Y157-G160 PolarHBondContact O-N 3.02Å; Y157-Y161 HydrophobicContact CD2-CD2 4.07Å; Y157-Y161 HydrophobicContact CD2-CE2 4.17Å; Y157-Y161 HydrophobicContact CG-CE2 4.36Å; Y157-Y161 WeakPolarHBondContact O-CB 3.32Å; Y157-Y161 WeakPolarHBondContact O-CD2 3.38Å; Y157-Y161 PolarHBondContact O-N 2.83Å; Y157-V203 HydrophobicContact CD2-CG1 4.1Å; Y157-V203 HydrophobicContact CE2-CG1 3.94Å; Y157-D207 WeakPolarHBondContact CE2-OD2 3.08Å; Y157-D207 PolarHBondContact OH-OD1 2.72Å; Y157-L386 HydrophobicContact CD1-CB 4.23Å; Y157-L386 HydrophobicContact CD1-CD2 3.71Å; Y157-L386 HydrophobicContact CD1-CG 4.5Å; Y157-L386 HydrophobicContact CE1-CD2 3.94Å
158T92.7Very high91.6Very high47 Ų4750.8 Ų50.829%0.28827%0.271SS..Hα-helixtrans-61.8-44.7174.9-62.40000111.1K154 A155 S162 F204K154-T158 WeakPolarHBondContact O-CB 3.48Å; K154-T158 PolarHBondContact O-N 3.42Å; K154-T158 PolarHBondContact O-OG1 3Å; A155-T158 PolarHBondContact O-N 2.99Å; T158-S162 VanDerWaalsContact O-CB 3.24Å; T158-S162 WeakPolarHBondContact O-CB 3.3Å; T158-S162 PolarHBondContact O-N 3.29Å; T158-S162 PolarHBondContact O-OG 3.47Å; T158-F204 HydrophobicContact CG2-CE1 4.15Å
159V95.1Very high92.3Very high85 Ų8545.9 Ų45.952%0.51526%0.258SS..Hα-helixtrans-65.8-41.7175172.50000111.4A155 L156 S162 T163 F391A155-V159 WeakPolarHBondContact O-CG2 3.43Å; A155-V159 PolarHBondContact O-N 2.94Å; L156-V159 PolarHBondContact O-N 3.46Å; V159-S162 PolarHBondContact O-N 3.46Å; V159-T163 WeakPolarHBondContact O-CB 3.18Å; V159-T163 PolarHBondContact O-N 3.27Å; V159-T163 PolarHBondContact O-OG1 3.35Å; V159-F391 HydrophobicContact CG1-CZ 4.27Å
160G95.6Very high93Very high0 Ų047.7 Ų47.70%027%0.272CS..Hα-helixtrans-62.4-53.7178.400000113.1L156 Y157 S162 T163 S164 S390L156-G160 PolarHBondContact O-N 3.09Å; Y157-G160 PolarHBondContact O-N 3.02Å; G160-S162 VanDerWaalsContact C-N 3.31Å; G160-S162 PolarHBondContact O-N 3.35Å; G160-T163 PolarHBondContact O-N 3.45Å; G160-S164 WeakPolarHBondContact O-CB 3.24Å; G160-S164 PolarHBondContact O-N 3.01Å; G160-S164 PolarHBondContact O-OG 3.01Å; G160-S390 CarbonylContact C-O 3.55Å; G160-S390 VanDerWaalsContact C-O 3.29Å
161Y95.9Very high93.7Very high16 Ų1642 Ų426%0.06325%0.25CC..Hα-helixtrans-63.6-35177.4-73.1-56000112.2Y157 S164 L165 R199 A200 V203Y157-Y161 HydrophobicContact CD2-CD2 4.07Å; Y157-Y161 HydrophobicContact CD2-CE2 4.17Å; Y157-Y161 HydrophobicContact CG-CE2 4.36Å; Y157-Y161 WeakPolarHBondContact O-CB 3.32Å; Y157-Y161 WeakPolarHBondContact O-CD2 3.38Å; Y157-Y161 PolarHBondContact O-N 2.83Å; Y161-S164 PolarHBondContact O-N 3Å; Y161-L165 VanDerWaalsContact O-CB 3.24Å; Y161-L165 WeakPolarHBondContact O-CB 3.48Å; Y161-L165 PolarHBondContact O-N 3.02Å; Y161-R199 HydrophobicContact CE1-CG 4.16Å; Y161-R199 PolarHBondContact OH-NE 2.91Å; Y161-R199 VanDerWaalsContact OH-NE 3.07Å; Y161-R199 PolarHBondContact OH-NH2 2.92Å; Y161-A200 HydrophobicContact CD1-CB 3.98Å; Y161-A200 HydrophobicContact CG-CB 4.26Å; Y161-V203 HydrophobicContact CD2-CB 4.3Å; Y161-V203 HydrophobicContact CD2-CG1 3.87Å; Y161-V203 HydrophobicContact CD2-CG2 4.36Å; Y161-V203 HydrophobicContact CE2-CB 4.22Å; Y161-V203 HydrophobicContact CE2-CG1 3.89Å; Y161-V203 HydrophobicContact CE2-CG2 3.8Å
162S96.5Very high94.2Very high48 Ų4838 Ų3834%0.33623%0.229SC..Hα-helixtrans-63.1-47174.8-63.80000111.6T158 V159 G160 L165 V166 F204T158-S162 VanDerWaalsContact O-CB 3.24Å; T158-S162 WeakPolarHBondContact O-CB 3.3Å; T158-S162 PolarHBondContact O-N 3.29Å; T158-S162 PolarHBondContact O-OG 3.47Å; V159-S162 PolarHBondContact O-N 3.46Å; G160-S162 VanDerWaalsContact C-N 3.31Å; G160-S162 PolarHBondContact O-N 3.35Å; S162-L165 PolarHBondContact O-N 3.15Å; S162-V166 WeakPolarHBondContact O-CG2 3.42Å; S162-V166 PolarHBondContact O-N 3.42Å; S162-V166 VanDerWaalsContact O-N 3.1Å; S162-F204 WeakPolarHBondContact OG-CZ 3.41Å
163T96.3Very high94.5Very high49 Ų4940 Ų4030%0.30124%0.239SC..Hα-helixtrans-63.2-43.7178-56.10000111.2V159 G160 T167 F394V159-T163 WeakPolarHBondContact O-CB 3.18Å; V159-T163 PolarHBondContact O-N 3.27Å; V159-T163 PolarHBondContact O-OG1 3.35Å; G160-T163 PolarHBondContact O-N 3.45Å; T163-T167 WeakPolarHBondContact O-CG2 3.43Å; T163-T167 PolarHBondContact O-N 2.9Å; T163-T167 PolarHBondContact O-OG1 2.84Å; T163-F394 HydrophobicContact CG2-CB 4.37Å; T163-F394 HydrophobicContact CG2-CD2 3.82Å; T163-F394 HydrophobicContact CG2-CE2 4.29Å; T163-F394 HydrophobicContact CG2-CG 4.07Å
164S96.8Very high94.8Very high4 Ų440.8 Ų40.83%0.02824%0.243CC..Hα-helixtrans-59.8-47.9172.9-710000111.9G160 Y161 V166 T167 L168 S390 F394G160-S164 WeakPolarHBondContact O-CB 3.24Å; G160-S164 PolarHBondContact O-N 3.01Å; G160-S164 PolarHBondContact O-OG 3.01Å; Y161-S164 PolarHBondContact O-N 3Å; S164-V166 PolarHBondContact O-N 3.06Å; S164-T167 PolarHBondContact O-N 3.36Å; S164-T167 PolarHBondContact O-OG1 3.39Å; S164-L168 WeakPolarHBondContact O-CB 3.43Å; S164-L168 WeakPolarHBondContact O-CD1 3.29Å; S164-L168 WeakPolarHBondContact O-CG 3.45Å; S164-L168 PolarHBondContact O-N 3.24Å; S164-S390 PolarHBondContact OG-O 3.17Å; S164-F394 PolarHBondContact OG-N 3.21Å
165L97Very high95Very high35 Ų3538.7 Ų38.718%0.18323%0.233CC..Hα-helixtrans-63.2-44.7-176.6-177.459.3000112.5Y161 S162 T169 M197 A200 I201 F204Y161-L165 VanDerWaalsContact O-CB 3.24Å; Y161-L165 WeakPolarHBondContact O-CB 3.48Å; Y161-L165 PolarHBondContact O-N 3.02Å; S162-L165 PolarHBondContact O-N 3.15Å; L165-T169 VanDerWaalsContact O-CB 3.26Å; L165-T169 WeakPolarHBondContact O-CB 3.4Å; L165-T169 PolarHBondContact O-N 3.43Å; L165-T169 PolarHBondContact O-OG1 3.3Å; L165-M197 HydrophobicContact CD1-CB 4.02Å; L165-M197 HydrophobicContact CD1-CE 4.13Å; L165-M197 HydrophobicContact CD1-CG 3.93Å; L165-A200 HydrophobicContact CB-CB 4.39Å; L165-I201 HydrophobicContact CD1-CD1 4.3Å; L165-I201 HydrophobicContact CD1-CG1 4.29Å; L165-I201 HydrophobicContact CD2-CG1 4.22Å; L165-F204 HydrophobicContact CD2-CE2 4.04Å
166V97.3Very high95.2Very high97 Ų9739 Ų3959%0.58823%0.232SC*.Hα-helixtrans-64-42.8178.3172.90000111.5S162 S164 T170S162-V166 WeakPolarHBondContact O-CG2 3.42Å; S162-V166 PolarHBondContact O-N 3.42Å; S162-V166 VanDerWaalsContact O-N 3.1Å; S164-V166 PolarHBondContact O-N 3.06Å; V166-T170 WeakPolarHBondContact O-CB 3.29Å; V166-T170 PolarHBondContact O-N 3.46Å; V166-T170 VanDerWaalsContact O-N 3.13Å; V166-T170 PolarHBondContact O-OG1 3.38Å
167T97.2Very high95.2Very high27 Ų2743.9 Ų43.917%0.16625%0.246CC..Hα-helixtrans-76.2-39.4-177.853.30000112.8T163 S164 T170 A171 F394T163-T167 WeakPolarHBondContact O-CG2 3.43Å; T163-T167 PolarHBondContact O-N 2.9Å; T163-T167 PolarHBondContact O-OG1 2.84Å; S164-T167 PolarHBondContact O-N 3.36Å; S164-T167 PolarHBondContact O-OG1 3.39Å; T167-T170 PolarHBondContact O-N 3.03Å; T167-A171 WeakPolarHBondContact O-CB 3.15Å; T167-A171 PolarHBondContact O-N 3.32Å; T167-F394 HydrophobicContact CG2-CD2 3.79Å; T167-F394 HydrophobicContact CG2-CE2 4.13Å
168L96.9Very high95.1Very high1 Ų144 Ų441%0.00525%0.247CC..Hα-helixtrans-62.6-43.1171.8-75165.7000112.1S164 T170 A171 M172 F193 F196 M197 A397S164-L168 WeakPolarHBondContact O-CB 3.43Å; S164-L168 WeakPolarHBondContact O-CD1 3.29Å; S164-L168 WeakPolarHBondContact O-CG 3.45Å; S164-L168 PolarHBondContact O-N 3.24Å; L168-T170 VanDerWaalsContact C-N 3.33Å; L168-T170 PolarHBondContact O-N 2.67Å; L168-A171 PolarHBondContact O-N 2.69Å; L168-M172 WeakPolarHBondContact O-CB 3.46Å; L168-M172 PolarHBondContact O-N 3.26Å; L168-F193 HydrophobicContact CD2-CB 3.81Å; L168-F193 HydrophobicContact CD2-CD1 3.83Å; L168-F193 HydrophobicContact CD2-CD2 4.27Å; L168-F193 HydrophobicContact CD2-CG 3.69Å; L168-F196 HydrophobicContact CD1-CB 3.4Å; L168-F196 VanDerWaalsContact CD1-CB 3.4Å; L168-F196 HydrophobicContact CD1-CG 4.31Å; L168-M197 HydrophobicContact CB-CG 3.78Å; L168-M197 HydrophobicContact CB-SD 4.18Å; L168-M197 HydrophobicContact CD1-CG 4.21Å; L168-A397 HydrophobicContact CD2-CB 3.91Å; L168-A397 HydrophobicContact CG-CB 4.2Å
169T96.3Very high95Very high57 Ų5752 Ų5235%0.3527%0.272SS..Hα-helixtrans-59.4-46.2175.4-58.90000110.7L165 A171 M172 V173 M197L165-T169 VanDerWaalsContact O-CB 3.26Å; L165-T169 WeakPolarHBondContact O-CB 3.4Å; L165-T169 PolarHBondContact O-N 3.43Å; L165-T169 PolarHBondContact O-OG1 3.3Å; T169-A171 PolarHBondContact O-N 3.04Å; T169-M172 PolarHBondContact O-N 2.89Å; T169-V173 WeakPolarHBondContact O-CG2 3.24Å; T169-V173 PolarHBondContact O-N 3.21Å; T169-M197 VanDerWaalsContact OG1-CE 3.31Å; T169-M197 WeakPolarHBondContact OG1-CE 3.24Å
170T95.9Very high94.7Very high66 Ų6654.6 Ų54.641%0.40528%0.276SS..Hα-helixtrans-62.8-42.3177.5-57.70000111.8V166 T167 L168 V173 I174 F402V166-T170 WeakPolarHBondContact O-CB 3.29Å; V166-T170 PolarHBondContact O-N 3.46Å; V166-T170 VanDerWaalsContact O-N 3.13Å; V166-T170 PolarHBondContact O-OG1 3.38Å; T167-T170 PolarHBondContact O-N 3.03Å; L168-T170 VanDerWaalsContact C-N 3.33Å; L168-T170 PolarHBondContact O-N 2.67Å; T170-V173 PolarHBondContact O-N 3.35Å; T170-I174 HydrophobicContact CG2-CD1 4.38Å; T170-I174 WeakPolarHBondContact O-CG1 3.03Å; T170-I174 PolarHBondContact O-N 2.7Å; T170-I174 VanDerWaalsContact O-N 3.15Å; T170-F402 HydrophobicContact CG2-CE1 4.02Å; T170-F402 HydrophobicContact CG2-CZ 3.76Å
171A96.1Very high94.5Very high0 Ų054.8 Ų54.80%028%0.277CS..Hα-helixtrans-64.3-42.6175.800000112.7T167 L168 T169 V173 I174 L175 F193 A397 C401 F402T167-A171 WeakPolarHBondContact O-CB 3.15Å; T167-A171 PolarHBondContact O-N 3.32Å; L168-A171 PolarHBondContact O-N 2.69Å; T169-A171 PolarHBondContact O-N 3.04Å; A171-V173 PolarHBondContact O-N 2.95Å; A171-I174 WeakPolarHBondContact O-CB 3.39Å; A171-I174 PolarHBondContact O-N 3.48Å; A171-L175 PolarHBondContact O-N 2.83Å; A171-F193 HydrophobicContact CB-CD2 4.15Å; A171-F193 HydrophobicContact CB-CE2 3.77Å; A171-A397 HydrophobicContact CB-CB 4.24Å; A171-C401 HydrophobicContact CB-CB 3.57Å; A171-F402 HydrophobicContact CB-CE2 4.06Å; A171-F402 HydrophobicContact CB-CZ 4.31Å
172M94.8Very high94.2Very high25 Ų2557 Ų5712%0.12329%0.288CS..Hα-helixtrans-61-43174.8-91-56.6-55.400112.3L168 T169 I174 L175 C176 M190 F193 M197L168-M172 WeakPolarHBondContact O-CB 3.46Å; L168-M172 PolarHBondContact O-N 3.26Å; T169-M172 PolarHBondContact O-N 2.89Å; M172-I174 VanDerWaalsContact C-N 3.29Å; M172-I174 PolarHBondContact O-N 3.41Å; M172-L175 PolarHBondContact O-N 3.48Å; M172-C176 VanDerWaalsContact O-CB 3.3Å; M172-C176 WeakPolarHBondContact O-CB 3.18Å; M172-C176 PolarHBondContact O-N 2.82Å; M172-M190 HydrophobicContact CE-CB 4.28Å; M172-M190 HydrophobicContact CE-CE 3.78Å; M172-M190 HydrophobicContact CE-CG 4.21Å; M172-M190 HydrophobicContact SD-CB 3.79Å; M172-M190 HydrophobicContact SD-CG 3.73Å; M172-F193 HydrophobicContact CG-CB 4Å; M172-F193 HydrophobicContact CG-CD2 4.14Å; M172-F193 HydrophobicContact SD-CB 4.11Å; M172-F193 HydrophobicContact SD-CD2 4.17Å; M172-M197 HydrophobicContact CG-SD 4.17Å
173V94.6Very high93.9Very high90 Ų9057.4 Ų57.455%0.54529%0.29SS..Hα-helixtrans-61.1-38.2175.11700000111.4T169 T170 A171 R177T169-V173 WeakPolarHBondContact O-CG2 3.24Å; T169-V173 PolarHBondContact O-N 3.21Å; T170-V173 PolarHBondContact O-N 3.35Å; A171-V173 PolarHBondContact O-N 2.95Å; V173-R177 WeakPolarHBondContact O-CB 3.45Å; V173-R177 PolarHBondContact O-N 3.32Å; V173-R177 VanDerWaalsContact O-N 3.14Å
174I94.3Very high93.6Very high22 Ų2255.5 Ų55.511%0.11328%0.278CS..Hα-helixtrans-63.8-53.3175.2-70.3166000110.8T170 A171 M172 R177 F178 F402 V407T170-I174 HydrophobicContact CG2-CD1 4.38Å; T170-I174 WeakPolarHBondContact O-CG1 3.03Å; T170-I174 PolarHBondContact O-N 2.7Å; T170-I174 VanDerWaalsContact O-N 3.15Å; A171-I174 WeakPolarHBondContact O-CB 3.39Å; A171-I174 PolarHBondContact O-N 3.48Å; M172-I174 VanDerWaalsContact C-N 3.29Å; M172-I174 PolarHBondContact O-N 3.41Å; I174-R177 PolarHBondContact O-N 3.24Å; I174-F178 HydrophobicContact CG2-CD2 3.89Å; I174-F178 HydrophobicContact CG2-CE2 4.07Å; I174-F178 VanDerWaalsContact O-CD2 3.25Å; I174-F178 WeakPolarHBondContact O-CD2 3.1Å; I174-F178 PolarHBondContact O-N 3.05Å; I174-F402 HydrophobicContact CD1-CD1 4.36Å; I174-F402 HydrophobicContact CD1-CE1 3.72Å; I174-F402 HydrophobicContact CD1-CZ 4.37Å; I174-V407 HydrophobicContact CG2-CG1 3.64Å
175L93Very high93.3Very high3 Ų359.9 Ų59.92%0.01629%0.294CS..Hα-helixtrans-65.3-43-177.7-65-176.9000112.6A171 M172 R177 L181 H182 M190 F193 V407A171-L175 PolarHBondContact O-N 2.83Å; M172-L175 PolarHBondContact O-N 3.48Å; L175-R177 PolarHBondContact O-N 3.32Å; L175-L181 HydrophobicContact CD2-CD1 3.97Å; L175-H182 PolarHBondContact O-CD2 3.1Å; L175-H182 PolarHBondContact O-NE2 3.13Å; L175-M190 HydrophobicContact CB-CG 4.06Å; L175-M190 HydrophobicContact CB-SD 4.12Å; L175-M190 HydrophobicContact CD1-CG 3.84Å; L175-F193 HydrophobicContact CD1-CD2 4.21Å; L175-F193 HydrophobicContact CD1-CE2 3.61Å; L175-F193 HydrophobicContact CD1-CZ 4.31Å; L175-V407 HydrophobicContact CD2-CG2 4.45Å
176C92.9Very high93.1Very high64 Ų6458.3 Ų58.343%0.43229%0.286SS..Hα-helixtrans-58.7-48.1174.7-870000112.2M172 H182 M190M172-C176 VanDerWaalsContact O-CB 3.3Å; M172-C176 WeakPolarHBondContact O-CB 3.18Å; M172-C176 PolarHBondContact O-N 2.82Å; C176-H182 PolarHBondContact O-CE1 3.28Å; C176-H182 PolarHBondContact O-NE2 3.16Å; C176-H182 VanDerWaalsContact O-NE2 3.11Å; C176-M190 WeakPolarHBondContact SG-CE 3.45Å
177R91.5Very high92.9Very high167 Ų16755.8 Ų55.863%0.6327%0.267SS*.Hα-helixtrans-72.9-35.6-170.5-169.4-17768.4152.7-3.1113.4V173 I174 L175 R179V173-R177 WeakPolarHBondContact O-CB 3.45Å; V173-R177 PolarHBondContact O-N 3.32Å; V173-R177 VanDerWaalsContact O-N 3.14Å; I174-R177 PolarHBondContact O-N 3.24Å; L175-R177 PolarHBondContact O-N 3.32Å; R177-R179 PolarHBondContact O-N 2.87Å
178F91.3Very high92.8Very high21 Ų2154.5 Ų54.59%0.09226%0.259CS..  trans-89.185.3-176.8-70.2-62.4000111.7I174 K180 L181 I411 K414I174-F178 HydrophobicContact CG2-CD2 3.89Å; I174-F178 HydrophobicContact CG2-CE2 4.07Å; I174-F178 VanDerWaalsContact O-CD2 3.25Å; I174-F178 WeakPolarHBondContact O-CD2 3.1Å; I174-F178 PolarHBondContact O-N 3.05Å; F178-K180 PolarHBondContact O-N 3.49Å; F178-L181 HydrophobicContact CB-CD1 3.8Å; F178-L181 HydrophobicContact CB-CG 3.96Å; F178-L181 HydrophobicContact CD2-CD1 4.31Å; F178-L181 HydrophobicContact CG-CD1 4.46Å; F178-L181 WeakPolarHBondContact O-CB 3.39Å; F178-L181 PolarHBondContact O-N 3Å; F178-I411 HydrophobicContact CE2-CG1 3.86Å; F178-I411 HydrophobicContact CZ-CG1 4.14Å; F178-K414 HydrophobicContact CE1-CB 4.01Å; F178-K414 HydrophobicContact CE1-CG 4.16Å; F178-K414 HydrophobicContact CZ-CB 4.45Å
179R90.5Very high92.6Very high216 Ų21654.7 Ų54.782%0.81526%0.26SS*.G310 helixtrans-49.3-23179.8-65.1-175.172.1174.23.2116.3R177 L181 H182R177-R179 PolarHBondContact O-N 2.87Å; R179-L181 VanDerWaalsContact C-N 3.26Å; R179-L181 PolarHBondContact O-N 2.97Å; R179-H182 WeakPolarHBondContact O-CB 3.22Å; R179-H182 PolarHBondContact O-N 3.07Å
180K88.9Confident92.5Very high138 Ų13852.2 Ų52.260%0.624%0.244SC*.G310 helixtrans-70.4-21.5174.8-177.8175.2160.4-157.20112.9F178 H182 E410F178-K180 PolarHBondContact O-N 3.49Å; K180-H182 VanDerWaalsContact C-N 3.29Å; K180-E410 WeakPolarHBondContact CD-OE1 3.03Å; K180-E410 WeakPolarHBondContact CE-OE1 3.19Å; K180-E410 IonicContact NZ-OE1 3.05Å; K180-E410 PolarHBondContact NZ-OE1 2.69Å
181L89.7Confident92.5Very high5 Ų549.2 Ų49.23%0.02623%0.226CC..G310 helixtrans-866.7176.1-55.7179.1000112.9L175 F178 R179 C183 N186 E406 V407 E410L175-L181 HydrophobicContact CD2-CD1 3.97Å; F178-L181 HydrophobicContact CB-CD1 3.8Å; F178-L181 HydrophobicContact CB-CG 3.96Å; F178-L181 HydrophobicContact CD2-CD1 4.31Å; F178-L181 HydrophobicContact CG-CD1 4.46Å; F178-L181 WeakPolarHBondContact O-CB 3.39Å; F178-L181 PolarHBondContact O-N 3Å; R179-L181 VanDerWaalsContact C-N 3.26Å; R179-L181 PolarHBondContact O-N 2.97Å; L181-C183 PolarHBondContact O-N 3.36Å; L181-N186 VanDerWaalsContact O-CB 3.28Å; L181-N186 WeakPolarHBondContact O-CB 3.32Å; L181-N186 PolarHBondContact O-ND2 3.29Å; L181-E406 HydrophobicContact CD2-CB 4.39Å; L181-V407 HydrophobicContact CD1-CG1 4.43Å; L181-V407 HydrophobicContact CD1-CG2 4.01Å; L181-E410 HydrophobicContact CD2-CG 4.2Å
182H90.5Very high92.4Very high62 Ų6249.2 Ų49.229%0.28723%0.226SC..  trans-82.261.1-175.3-69.4-172000112.4L175 C176 R179 K180 F187L175-H182 PolarHBondContact O-CD2 3.1Å; L175-H182 PolarHBondContact O-NE2 3.13Å; C176-H182 PolarHBondContact O-CE1 3.28Å; C176-H182 PolarHBondContact O-NE2 3.16Å; C176-H182 VanDerWaalsContact O-NE2 3.11Å; R179-H182 WeakPolarHBondContact O-CB 3.22Å; R179-H182 PolarHBondContact O-N 3.07Å; K180-H182 VanDerWaalsContact C-N 3.29Å; H182-F187 HydrophobicContact CB-CE2 4.07Å; H182-F187 HydrophobicContact CB-CZ 3.8Å
183C90.1Very high92.5Very high57 Ų5748 Ų4839%0.38522%0.22SC..  trans-97.4157.2176.6-580000111.3L181 R185 N186 F187L181-C183 PolarHBondContact O-N 3.36Å; C183-R185 VanDerWaalsContact C-N 3.33Å; C183-R185 PolarHBondContact O-N 3.37Å; C183-N186 PolarHBondContact O-N 3.14Å; C183-F187 VanDerWaalsContact O-CD2 3.22Å; C183-F187 WeakPolarHBondContact O-CD2 3.11Å; C183-F187 PolarHBondContact O-N 2.57Å; C183-F187 VanDerWaalsContact O-N 3.08Å
184T90.4Very high92.6Very high8 Ų845.6 Ų45.65%0.04921%0.206CC..Hα-helixtrans-52.3-47.9-178.9-46.10000112.6N186 F187 I188 E262 F266T184-N186 VanDerWaalsContact C-N 3.34Å; T184-N186 PolarHBondContact O-N 3.08Å; T184-F187 PolarHBondContact O-N 2.77Å; T184-F187 VanDerWaalsContact O-N 3.14Å; T184-I188 PolarHBondContact O-N 2.95Å; T184-I188 VanDerWaalsContact O-N 3.16Å; T184-E262 WeakPolarHBondContact CB-OE2 3.27Å; T184-E262 HydrophobicContact CG2-CB 4.39Å; T184-E262 PolarHBondContact OG1-OE2 2.91Å; T184-F266 HydrophobicContact CG2-CB 3.88Å; T184-F266 HydrophobicContact CG2-CD2 3.92Å; T184-F266 HydrophobicContact CG2-CG 4.1Å
185R90.9Very high92.7Very high97 Ų9744.6 Ų44.637%0.36620%0.2SC..Hα-helixtrans-50.5-49.8172.7-178.3-166.8-56.2130.22.3112.7C183 F187 I188 H189 Y250 E406C183-R185 VanDerWaalsContact C-N 3.33Å; C183-R185 PolarHBondContact O-N 3.37Å; R185-F187 VanDerWaalsContact C-N 3.28Å; R185-F187 PolarHBondContact O-N 2.68Å; R185-I188 WeakPolarHBondContact O-CB 3.47Å; R185-I188 PolarHBondContact O-N 3.36Å; R185-I188 VanDerWaalsContact O-N 3.07Å; R185-H189 VanDerWaalsContact CG-NE2 3.3Å; R185-H189 WeakPolarHBondContact CG-NE2 3.45Å; R185-H189 PolarHBondContact O-N 3.31Å; R185-Y250 HydrophobicContact CB-CE1 3.96Å; R185-Y250 HydrophobicContact CG-CE1 4.12Å; R185-Y250 PolarHBondContact N-OH 2.93Å; R185-E406 IonicContact NH1-OE1 3.23Å
186N92.9Very high92.8Very high2 Ų244.8 Ų44.81%0.01120%0.201CC..Hα-helixtrans-71.1-26.2-176.1-65.3-8.1000111.7L181 C183 T184 H189 M190L181-N186 VanDerWaalsContact O-CB 3.28Å; L181-N186 WeakPolarHBondContact O-CB 3.32Å; L181-N186 PolarHBondContact O-ND2 3.29Å; C183-N186 PolarHBondContact O-N 3.14Å; T184-N186 VanDerWaalsContact C-N 3.34Å; T184-N186 PolarHBondContact O-N 3.08Å; N186-H189 PolarHBondContact O-N 2.89Å; N186-M190 WeakPolarHBondContact O-CB 3.47Å; N186-M190 WeakPolarHBondContact O-CG 3.37Å; N186-M190 PolarHBondContact O-N 3.3Å
187F93.3Very high93Very high43 Ų4343.4 Ų43.419%0.18919%0.189CC..Hα-helixtrans-69.4-33.1168.8-69.6-66.3000113H182 C183 T184 R185 M190 N191 F266H182-F187 HydrophobicContact CB-CE2 4.07Å; H182-F187 HydrophobicContact CB-CZ 3.8Å; C183-F187 VanDerWaalsContact O-CD2 3.22Å; C183-F187 WeakPolarHBondContact O-CD2 3.11Å; C183-F187 PolarHBondContact O-N 2.57Å; C183-F187 VanDerWaalsContact O-N 3.08Å; T184-F187 PolarHBondContact O-N 2.77Å; T184-F187 VanDerWaalsContact O-N 3.14Å; R185-F187 VanDerWaalsContact C-N 3.28Å; R185-F187 PolarHBondContact O-N 2.68Å; F187-M190 HydrophobicContact CD1-SD 4.03Å; F187-M190 HydrophobicContact CE1-SD 4.41Å; F187-N191 PolarHBondContact O-N 3Å; F187-N191 VanDerWaalsContact O-N 3.13Å; F187-N191 PolarHBondContact O-ND2 3.45Å; F187-F266 HydrophobicContact CB-CD2 4.45Å; F187-F266 HydrophobicContact CB-CE2 3.46Å; F187-F266 VanDerWaalsContact CB-CE2 3.46Å; F187-F266 HydrophobicContact CB-CZ 3.61Å; F187-F266 HydrophobicContact CG-CZ 4.4Å
188I93.4Very high93.2Very high0 Ų036.7 Ų36.70%017%0.165CC..Hα-helixtrans-63.5-51.4169.6-63-66.9000109.7T184 R185 M190 N191 L192 W243 I246 E247 Y250 F266T184-I188 PolarHBondContact O-N 2.95Å; T184-I188 VanDerWaalsContact O-N 3.16Å; R185-I188 WeakPolarHBondContact O-CB 3.47Å; R185-I188 PolarHBondContact O-N 3.36Å; R185-I188 VanDerWaalsContact O-N 3.07Å; I188-M190 VanDerWaalsContact C-N 3.29Å; I188-M190 PolarHBondContact O-N 3.28Å; I188-N191 PolarHBondContact O-N 3.4Å; I188-N191 VanDerWaalsContact O-N 3.1Å; I188-L192 PolarHBondContact O-N 3.34Å; I188-W243 HydrophobicContact CD1-CZ3 4.1Å; I188-W243 HydrophobicContact CG2-CZ3 4.46Å; I188-I246 HydrophobicContact CD1-CG2 4.4Å; I188-E247 HydrophobicContact CG2-CB 4.41Å; I188-Y250 HydrophobicContact CG1-CD1 4.18Å; I188-Y250 HydrophobicContact CG1-CE1 4.42Å; I188-Y250 HydrophobicContact CG1-CG 4.27Å; I188-Y250 HydrophobicContact CG2-CD1 4.48Å; I188-F266 HydrophobicContact CD1-CD2 3.65Å; I188-F266 HydrophobicContact CD1-CE2 3.85Å; I188-F266 HydrophobicContact CG1-CD2 4.06Å; I188-F266 HydrophobicContact CG1-CE2 4.23Å
189H93.9Very high93.4Very high5 Ų536.2 Ų36.22%0.02316%0.163CC..Hα-helixtrans-57.1-39.6176.2-59-33.5000112.3R185 N186 L192 F193 E247 Y400R185-H189 VanDerWaalsContact CG-NE2 3.3Å; R185-H189 WeakPolarHBondContact CG-NE2 3.45Å; R185-H189 PolarHBondContact O-N 3.31Å; N186-H189 PolarHBondContact O-N 2.89Å; H189-L192 PolarHBondContact O-N 3.02Å; H189-F193 HydrophobicContact CB-CE1 4.2Å; H189-F193 HydrophobicContact CB-CZ 4.36Å; H189-F193 WeakPolarHBondContact O-CB 3.15Å; H189-F193 WeakPolarHBondContact O-CD1 3.3Å; H189-F193 WeakPolarHBondContact O-CG 3.42Å; H189-F193 PolarHBondContact O-N 3.22Å; H189-E247 IonicContact CE1-OE1 3.7Å; H189-E247 PolarHBondContact CE1-OE1 3.03Å; H189-E247 IonicContact CG-OE1 3.83Å; H189-E247 IonicContact ND1-OE1 3.06Å; H189-E247 PolarHBondContact ND1-OE1 2.96Å; H189-Y400 AromaticContact CE1-CD2 3.45Å; H189-Y400 VanDerWaalsContact CE1-CD2 3.45Å; H189-Y400 WeakPolarHBondContact CE1-CD2 3.13Å; H189-Y400 AromaticContact CE1-CE1 3.86Å; H189-Y400 AromaticContact CE1-CE2 3.12Å; H189-Y400 WeakPolarHBondContact CE1-CE2 3.3Å; H189-Y400 AromaticContact CE1-CG 3.91Å; H189-Y400 AromaticContact CE1-CZ 3.35Å; H189-Y400 AromaticContact CG-CD2 3.94Å; H189-Y400 AromaticContact ND1-CD2 3.48Å; H189-Y400 WeakPolarHBondContact ND1-CD2 3.4Å; H189-Y400 AromaticContact ND1-CE2 3.41Å; H189-Y400 WeakPolarHBondContact ND1-CE2 3.43Å; H189-Y400 AromaticContact NE2-CD1 3.9Å; H189-Y400 AromaticContact NE2-CD2 3.89Å; H189-Y400 AromaticContact NE2-CE1 3.94Å; H189-Y400 AromaticContact NE2-CE2 3.89Å; H189-Y400 AromaticContact NE2-CG 3.88Å; H189-Y400 AromaticContact NE2-CZ 3.91Å
190M94Very high93.7Very high5 Ų525.9 Ų25.93%0.02512%0.124CC..Hα-helixtrans-63.9-39.6176.6-73.116579.200112.6M1 M172 L175 C176 N186 F187 I188 V194M1-M190 HydrophobicContact CE-CE 4.03Å; M172-M190 HydrophobicContact CE-CB 4.28Å; M172-M190 HydrophobicContact CE-CE 3.78Å; M172-M190 HydrophobicContact CE-CG 4.21Å; M172-M190 HydrophobicContact SD-CB 3.79Å; M172-M190 HydrophobicContact SD-CG 3.73Å; L175-M190 HydrophobicContact CB-CG 4.06Å; L175-M190 HydrophobicContact CB-SD 4.12Å; L175-M190 HydrophobicContact CD1-CG 3.84Å; C176-M190 WeakPolarHBondContact SG-CE 3.45Å; N186-M190 WeakPolarHBondContact O-CB 3.47Å; N186-M190 WeakPolarHBondContact O-CG 3.37Å; N186-M190 PolarHBondContact O-N 3.3Å; F187-M190 HydrophobicContact CD1-SD 4.03Å; F187-M190 HydrophobicContact CE1-SD 4.41Å; I188-M190 VanDerWaalsContact C-N 3.29Å; I188-M190 PolarHBondContact O-N 3.28Å; M190-V194 VanDerWaalsContact O-CG2 3.32Å; M190-V194 WeakPolarHBondContact O-CG2 3.43Å; M190-V194 PolarHBondContact O-N 2.83Å
191N95.6Very high94Very high4 Ų422.3 Ų22.32%0.02111%0.111CC..Hα-helixtrans-66.8-42.7173.7-74.7-38.1000111.4F187 I188 F193 V194 S195 W243F187-N191 PolarHBondContact O-N 3Å; F187-N191 VanDerWaalsContact O-N 3.13Å; F187-N191 PolarHBondContact O-ND2 3.45Å; I188-N191 PolarHBondContact O-N 3.4Å; I188-N191 VanDerWaalsContact O-N 3.1Å; N191-F193 PolarHBondContact O-N 3.45Å; N191-V194 PolarHBondContact O-N 3.22Å; N191-S195 PolarHBondContact O-N 3.46Å; N191-W243 HydrophobicContact CB-CD2 3.86Å; N191-W243 HydrophobicContact CB-CE3 3.67Å; N191-W243 HydrophobicContact CB-CH2 3.48Å; N191-W243 VanDerWaalsContact CB-CH2 3.48Å; N191-W243 HydrophobicContact CB-CZ2 3.65Å; N191-W243 HydrophobicContact CB-CZ3 3.47Å; N191-W243 VanDerWaalsContact CB-CZ3 3.47Å; N191-W243 WeakPolarHBondContact ND2-CH2 3.08Å
192L94.5Very high94.2Very high0 Ų022.1 Ų22.10%011%0.109CC..Hα-helixtrans-59.3-45.6174.5177.666.7000111.5I188 H189 V194 S195 F196 W243 L244 E247 V396I188-L192 PolarHBondContact O-N 3.34Å; H189-L192 PolarHBondContact O-N 3.02Å; L192-V194 VanDerWaalsContact C-N 3.31Å; L192-V194 PolarHBondContact O-N 3.4Å; L192-S195 WeakPolarHBondContact O-CB 3.48Å; L192-S195 PolarHBondContact O-N 2.69Å; L192-S195 PolarHBondContact O-OG 3.44Å; L192-F196 HydrophobicContact CD1-CD2 4.05Å; L192-F196 HydrophobicContact CD1-CE2 3.7Å; L192-F196 HydrophobicContact CD2-CE2 4.24Å; L192-F196 HydrophobicContact CG-CD2 4Å; L192-F196 HydrophobicContact CG-CE2 3.84Å; L192-F196 WeakPolarHBondContact O-CD2 3.33Å; L192-F196 PolarHBondContact O-N 3.28Å; L192-W243 HydrophobicContact CD1-CB 3.78Å; L192-L244 HydrophobicContact CD1-CD2 3.87Å; L192-L244 HydrophobicContact CD1-CG 4.07Å; L192-E247 VanDerWaalsContact CD2-CD 3.47Å; L192-E247 WeakPolarHBondContact CD2-OE1 3.47Å; L192-E247 WeakPolarHBondContact CD2-OE2 3.32Å; L192-V396 HydrophobicContact CD2-CG1 4.04Å
193F96.2Very high94.3Very high0 Ų019.6 Ų19.60%010%0.098CC..Hα-helixtrans-60.2-42.9177.4-68.47.3000110.8L168 A171 M172 L175 H189 N191 S195 F196 M197 V396 C401L168-F193 HydrophobicContact CD2-CB 3.81Å; L168-F193 HydrophobicContact CD2-CD1 3.83Å; L168-F193 HydrophobicContact CD2-CD2 4.27Å; L168-F193 HydrophobicContact CD2-CG 3.69Å; A171-F193 HydrophobicContact CB-CD2 4.15Å; A171-F193 HydrophobicContact CB-CE2 3.77Å; M172-F193 HydrophobicContact CG-CB 4Å; M172-F193 HydrophobicContact CG-CD2 4.14Å; M172-F193 HydrophobicContact SD-CB 4.11Å; M172-F193 HydrophobicContact SD-CD2 4.17Å; L175-F193 HydrophobicContact CD1-CD2 4.21Å; L175-F193 HydrophobicContact CD1-CE2 3.61Å; L175-F193 HydrophobicContact CD1-CZ 4.31Å; H189-F193 HydrophobicContact CB-CE1 4.2Å; H189-F193 HydrophobicContact CB-CZ 4.36Å; H189-F193 WeakPolarHBondContact O-CB 3.15Å; H189-F193 WeakPolarHBondContact O-CD1 3.3Å; H189-F193 WeakPolarHBondContact O-CG 3.42Å; H189-F193 PolarHBondContact O-N 3.22Å; N191-F193 PolarHBondContact O-N 3.45Å; F193-S195 VanDerWaalsContact C-N 3.34Å; F193-S195 PolarHBondContact O-N 3.01Å; F193-F196 PolarHBondContact O-N 3.25Å; F193-M197 VanDerWaalsContact O-CG 3.29Å; F193-M197 WeakPolarHBondContact O-CG 3.48Å; F193-M197 PolarHBondContact O-N 3.35Å; F193-V396 HydrophobicContact CD1-CG1 4Å; F193-V396 HydrophobicContact CE1-CG1 3.63Å; F193-C401 HydrophobicContact CE2-CB 4.43Å
194V96.4Very high94.5Very high39 Ų3919.5 Ų19.524%0.2369%0.092CC..Hα-helixtrans-62.4-38.5173.81700000111.6M190 N191 L192 F196 M197 L198 W274M190-V194 VanDerWaalsContact O-CG2 3.32Å; M190-V194 WeakPolarHBondContact O-CG2 3.43Å; M190-V194 PolarHBondContact O-N 2.83Å; N191-V194 PolarHBondContact O-N 3.22Å; L192-V194 VanDerWaalsContact C-N 3.31Å; L192-V194 PolarHBondContact O-N 3.4Å; V194-F196 PolarHBondContact O-N 3.02Å; V194-M197 PolarHBondContact O-N 3Å; V194-L198 HydrophobicContact CG1-CD1 3.98Å; V194-L198 HydrophobicContact CG1-CG 4.33Å; V194-L198 WeakPolarHBondContact O-CB 3.38Å; V194-L198 WeakPolarHBondContact O-CG 3.16Å; V194-L198 PolarHBondContact O-N 2.99Å; V194-W274 HydrophobicContact CG1-CH2 4.06Å; V194-W274 HydrophobicContact CG1-CZ2 4.19Å
195S96.3Very high94.4Very high0 Ų022.3 Ų22.30%011%0.106CC..Hα-helixtrans-63.8-39.917682.50000112.7N191 L192 F193 L198 R199 N240N191-S195 PolarHBondContact O-N 3.46Å; L192-S195 WeakPolarHBondContact O-CB 3.48Å; L192-S195 PolarHBondContact O-N 2.69Å; L192-S195 PolarHBondContact O-OG 3.44Å; F193-S195 VanDerWaalsContact C-N 3.34Å; F193-S195 PolarHBondContact O-N 3.01Å; S195-L198 PolarHBondContact O-N 2.81Å; S195-R199 WeakPolarHBondContact O-CB 3.35Å; S195-R199 PolarHBondContact O-N 2.88Å; S195-N240 PolarHBondContact OG-ND2 3.17Å
196F96.1Very high94.3Very high7 Ų719.1 Ų19.13%0.0319%0.094CC..Hα-helixtrans-68.6-39.8174.1-81.9-67.1000112.3L168 L192 F193 V194 L198 R199 A200 N240 L244 Q392 V396L168-F196 HydrophobicContact CD1-CB 3.4Å; L168-F196 VanDerWaalsContact CD1-CB 3.4Å; L168-F196 HydrophobicContact CD1-CG 4.31Å; L192-F196 HydrophobicContact CD1-CD2 4.05Å; L192-F196 HydrophobicContact CD1-CE2 3.7Å; L192-F196 HydrophobicContact CD2-CE2 4.24Å; L192-F196 HydrophobicContact CG-CD2 4Å; L192-F196 HydrophobicContact CG-CE2 3.84Å; L192-F196 WeakPolarHBondContact O-CD2 3.33Å; L192-F196 PolarHBondContact O-N 3.28Å; F193-F196 PolarHBondContact O-N 3.25Å; V194-F196 PolarHBondContact O-N 3.02Å; F196-L198 VanDerWaalsContact C-N 3.34Å; F196-R199 PolarHBondContact O-N 2.93Å; F196-A200 WeakPolarHBondContact O-CB 3.29Å; F196-A200 PolarHBondContact O-N 3.38Å; F196-N240 VanDerWaalsContact CD1-ND2 3.26Å; F196-N240 WeakPolarHBondContact CD1-ND2 3.38Å; F196-N240 WeakPolarHBondContact CE1-ND2 3.4Å; F196-N240 WeakPolarHBondContact CG-ND2 3.18Å; F196-L244 HydrophobicContact CE2-CD2 4.15Å; F196-L244 HydrophobicContact CZ-CD1 4.47Å; F196-L244 HydrophobicContact CZ-CD2 3.87Å; F196-L244 HydrophobicContact CZ-CG 4.49Å; F196-Q392 HydrophobicContact CE1-CB 4Å; F196-Q392 HydrophobicContact CE1-CG 4.01Å; F196-Q392 HydrophobicContact CZ-CB 4.22Å; F196-Q392 HydrophobicContact CZ-CG 3.76Å; F196-V396 HydrophobicContact CE2-CB 4.36Å; F196-V396 HydrophobicContact CE2-CG1 4.31Å; F196-V396 HydrophobicContact CE2-CG2 4.1Å; F196-V396 HydrophobicContact CZ-CG2 4.41Å
197M96.4Very high94Very high36 Ų3619.8 Ų19.818%0.17710%0.098CC..Hα-helixtrans-62.2-42.6174.6-70176.762.600111.1L165 L168 T169 M172 F193 V194 A200 I201L165-M197 HydrophobicContact CD1-CB 4.02Å; L165-M197 HydrophobicContact CD1-CE 4.13Å; L165-M197 HydrophobicContact CD1-CG 3.93Å; L168-M197 HydrophobicContact CB-CG 3.78Å; L168-M197 HydrophobicContact CB-SD 4.18Å; L168-M197 HydrophobicContact CD1-CG 4.21Å; T169-M197 VanDerWaalsContact OG1-CE 3.31Å; T169-M197 WeakPolarHBondContact OG1-CE 3.24Å; M172-M197 HydrophobicContact CG-SD 4.17Å; F193-M197 VanDerWaalsContact O-CG 3.29Å; F193-M197 WeakPolarHBondContact O-CG 3.48Å; F193-M197 PolarHBondContact O-N 3.35Å; V194-M197 PolarHBondContact O-N 3Å; M197-A200 PolarHBondContact O-N 3.42Å; M197-I201 WeakPolarHBondContact O-CB 3.09Å; M197-I201 WeakPolarHBondContact O-CD1 3.45Å; M197-I201 VanDerWaalsContact O-CG1 3.23Å; M197-I201 WeakPolarHBondContact O-CG1 3.2Å; M197-I201 PolarHBondContact O-N 3.17Å
198L96.3Very high93.6Very high25 Ų2527 Ų2713%0.13112%0.124CC..Hα-helixtrans-63.4-45.8175-75.5172.4000111.9V194 S195 F196 A200 I201 S202 F232 C236 W274V194-L198 HydrophobicContact CG1-CD1 3.98Å; V194-L198 HydrophobicContact CG1-CG 4.33Å; V194-L198 WeakPolarHBondContact O-CB 3.38Å; V194-L198 WeakPolarHBondContact O-CG 3.16Å; V194-L198 PolarHBondContact O-N 2.99Å; S195-L198 PolarHBondContact O-N 2.81Å; F196-L198 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 2.91Å; L198-I201 PolarHBondContact O-N 2.9Å; L198-S202 WeakPolarHBondContact O-CB 3.39Å; L198-S202 PolarHBondContact O-N 3.09Å; L198-S202 PolarHBondContact O-OG 2.88Å; L198-F232 HydrophobicContact CD2-CZ 4.4Å; L198-C236 HydrophobicContact CB-CB 4.26Å; L198-W274 HydrophobicContact CD1-CH2 3.82Å; L198-W274 HydrophobicContact CD1-CZ3 3.85Å
199R96.1Very high92.8Very high11 Ų1128.2 Ų28.24%0.04213%0.13CC..Hα-helixtrans-58.7-42.6174.9176.8176.9167.9178.2-1.7112.4Y161 S195 F196 S202 V203 V237 N240 Y366Y161-R199 HydrophobicContact CE1-CG 4.16Å; Y161-R199 PolarHBondContact OH-NE 2.91Å; Y161-R199 VanDerWaalsContact OH-NE 3.07Å; Y161-R199 PolarHBondContact OH-NH2 2.92Å; S195-R199 WeakPolarHBondContact O-CB 3.35Å; S195-R199 PolarHBondContact O-N 2.88Å; F196-R199 PolarHBondContact O-N 2.93Å; R199-S202 PolarHBondContact O-OG 3.02Å; R199-S202 VanDerWaalsContact O-OG 3.1Å; R199-V203 WeakPolarHBondContact O-CB 3.49Å; R199-V203 VanDerWaalsContact O-CG2 3.22Å; R199-V203 WeakPolarHBondContact O-CG2 3.39Å; R199-V203 PolarHBondContact O-N 3.34Å; R199-V237 HydrophobicContact CG-CG2 4.39Å; R199-N240 HydrophobicContact CB-CB 4.26Å; R199-N240 WeakPolarHBondContact CD-OD1 3.27Å; R199-N240 PolarHBondContact NH1-OD1 3.49Å; R199-Y366 PolarHBondContact NH1-OH 3.4Å; R199-Y366 PolarHBondContact NH2-OH 2.94Å
200A95.6Very high91.8Very high0 Ų030 Ų300%014%0.14CC..Hα-helixtrans-64.4-46.1176.100000111.9Y161 L165 F196 M197 L198 V203 F204Y161-A200 HydrophobicContact CD1-CB 3.98Å; Y161-A200 HydrophobicContact CG-CB 4.26Å; L165-A200 HydrophobicContact CB-CB 4.39Å; F196-A200 WeakPolarHBondContact O-CB 3.29Å; F196-A200 PolarHBondContact O-N 3.38Å; M197-A200 PolarHBondContact O-N 3.42Å; L198-A200 PolarHBondContact O-N 2.91Å; A200-V203 PolarHBondContact O-N 3.49Å; A200-F204 WeakPolarHBondContact O-CD2 3.48Å; A200-F204 WeakPolarHBondContact O-CG 3.47Å; A200-F204 PolarHBondContact O-N 2.98Å; A200-F204 VanDerWaalsContact O-N 3.13Å
201I95.6Very high90.6Very high63 Ų6334.3 Ų34.332%0.32316%0.156SC..Hα-helixtrans-65.4-41.8178.8-69.5164.8000111.2L165 M197 L198 F204 I205L165-I201 HydrophobicContact CD1-CD1 4.3Å; L165-I201 HydrophobicContact CD1-CG1 4.29Å; L165-I201 HydrophobicContact CD2-CG1 4.22Å; M197-I201 WeakPolarHBondContact O-CB 3.09Å; M197-I201 WeakPolarHBondContact O-CD1 3.45Å; M197-I201 VanDerWaalsContact O-CG1 3.23Å; M197-I201 WeakPolarHBondContact O-CG1 3.2Å; M197-I201 PolarHBondContact O-N 3.17Å; L198-I201 PolarHBondContact O-N 2.9Å; I201-F204 PolarHBondContact O-N 3.29Å; I201-I205 HydrophobicContact CG2-CD1 3.7Å; I201-I205 HydrophobicContact CG2-CG1 4.41Å; I201-I205 WeakPolarHBondContact O-CG1 3.1Å; I201-I205 PolarHBondContact O-N 3.43Å
202S94Very high88.9Confident0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-69.1-33.4179.769.90000112.8L198 R199 K206 C236L198-S202 WeakPolarHBondContact O-CB 3.39Å; L198-S202 PolarHBondContact O-N 3.09Å; L198-S202 PolarHBondContact O-OG 2.88Å; R199-S202 PolarHBondContact O-OG 3.02Å; R199-S202 VanDerWaalsContact O-OG 3.1Å; S202-K206 VanDerWaalsContact O-CB 3.31Å; S202-K206 WeakPolarHBondContact O-CB 3.42Å; S202-K206 PolarHBondContact O-N 2.9Å; S202-C236 VanDerWaalsContact OG-CB 3.27Å; S202-C236 WeakPolarHBondContact OG-CB 3.29Å
203V92.5Very high86.9Confident9 Ų939.4 Ų39.46%0.05519%0.19CC..Hα-helixtrans-60.6-52.6169.3166.80000109.7Y157 Y161 R199 A200 I205 K206 D207 F233Y157-V203 HydrophobicContact CD2-CG1 4.1Å; Y157-V203 HydrophobicContact CE2-CG1 3.94Å; Y161-V203 HydrophobicContact CD2-CB 4.3Å; Y161-V203 HydrophobicContact CD2-CG1 3.87Å; Y161-V203 HydrophobicContact CD2-CG2 4.36Å; Y161-V203 HydrophobicContact CE2-CB 4.22Å; Y161-V203 HydrophobicContact CE2-CG1 3.89Å; Y161-V203 HydrophobicContact CE2-CG2 3.8Å; R199-V203 WeakPolarHBondContact O-CB 3.49Å; R199-V203 VanDerWaalsContact O-CG2 3.22Å; R199-V203 WeakPolarHBondContact O-CG2 3.39Å; R199-V203 PolarHBondContact O-N 3.34Å; A200-V203 PolarHBondContact O-N 3.49Å; V203-I205 VanDerWaalsContact C-N 3.32Å; V203-I205 PolarHBondContact O-N 2.9Å; V203-K206 WeakPolarHBondContact O-CB 3.41Å; V203-K206 PolarHBondContact O-N 3.43Å; V203-K206 VanDerWaalsContact O-N 3.16Å; V203-D207 WeakPolarHBondContact CG1-OD2 3.14Å; V203-D207 WeakPolarHBondContact O-CB 3.32Å; V203-D207 PolarHBondContact O-N 2.99Å; V203-F233 HydrophobicContact CG2-CD2 4.47Å; V203-F233 HydrophobicContact CG2-CE2 3.91Å
204F93.2Very high84.8Confident56 Ų5647.3 Ų47.325%0.24623%0.227CC..Hα-helixtrans-61.3-35.5180-61.4-36.9000114.1T158 S162 L165 A200 I201 W208T158-F204 HydrophobicContact CG2-CE1 4.15Å; S162-F204 WeakPolarHBondContact OG-CZ 3.41Å; L165-F204 HydrophobicContact CD2-CE2 4.04Å; A200-F204 WeakPolarHBondContact O-CD2 3.48Å; A200-F204 WeakPolarHBondContact O-CG 3.47Å; A200-F204 PolarHBondContact O-N 2.98Å; A200-F204 VanDerWaalsContact O-N 3.13Å; I201-F204 PolarHBondContact O-N 3.29Å; F204-W208 VanDerWaalsContact O-CB 3.25Å; F204-W208 WeakPolarHBondContact O-CB 3.43Å; F204-W208 PolarHBondContact O-N 2.78Å
205I89.8Confident82.4Confident67 Ų6751.9 Ų51.934%0.34425%0.25SS..Hα-helixtrans-71.3-41.6176-63.7166.8000110.7I201 V203 W208 I209 V229 F232I201-I205 HydrophobicContact CG2-CD1 3.7Å; I201-I205 HydrophobicContact CG2-CG1 4.41Å; I201-I205 WeakPolarHBondContact O-CG1 3.1Å; I201-I205 PolarHBondContact O-N 3.43Å; V203-I205 VanDerWaalsContact C-N 3.32Å; V203-I205 PolarHBondContact O-N 2.9Å; I205-W208 PolarHBondContact O-N 3.25Å; I205-I209 PolarHBondContact O-N 3.05Å; I205-I209 VanDerWaalsContact O-N 3.14Å; I205-V229 HydrophobicContact CG2-CB 4.47Å; I205-V229 HydrophobicContact CG2-CG1 3.78Å; I205-V229 HydrophobicContact CG2-CG2 3.78Å; I205-F232 HydrophobicContact CD1-CE1 4.15Å
206K87.9Confident80.1Confident30 Ų3057.1 Ų57.113%0.1329%0.287CS..Hα-helixtrans-60.1-45.8173.7-172.6-155.362.7600111.3S202 V203 I209 L210 V229 M230 F233S202-K206 VanDerWaalsContact O-CB 3.31Å; S202-K206 WeakPolarHBondContact O-CB 3.42Å; S202-K206 PolarHBondContact O-N 2.9Å; V203-K206 WeakPolarHBondContact O-CB 3.41Å; V203-K206 PolarHBondContact O-N 3.43Å; V203-K206 VanDerWaalsContact O-N 3.16Å; K206-I209 PolarHBondContact O-N 2.85Å; K206-L210 HydrophobicContact CD-CD1 4.11Å; K206-L210 HydrophobicContact CG-CD1 3.83Å; K206-L210 HydrophobicContact CG-CG 4.4Å; K206-L210 WeakPolarHBondContact O-CB 3.48Å; K206-L210 WeakPolarHBondContact O-CG 3.37Å; K206-L210 PolarHBondContact O-N 3.29Å; K206-V229 HydrophobicContact CB-CG1 4.47Å; K206-M230 HydrophobicContact CD-CE 4.48Å; K206-M230 HydrophobicContact CD-SD 4Å; K206-M230 HydrophobicContact CG-SD 3.69Å; K206-F233 HydrophobicContact CB-CD2 4.23Å; K206-F233 HydrophobicContact CD-CD1 4.21Å; K206-F233 HydrophobicContact CD-CD2 3.93Å; K206-F233 HydrophobicContact CD-CE1 4.22Å; K206-F233 HydrophobicContact CD-CE2 3.96Å; K206-F233 HydrophobicContact CD-CG 4.07Å; K206-F233 HydrophobicContact CD-CZ 4.1Å; K206-F233 HydrophobicContact CG-CD2 4.5Å
207D86.4Confident77.9Confident15 Ų1562.9 Ų62.98%0.0832%0.318CS..Hα-helixtrans-69.1-35.6179.6-62.7-29.6000112Y157 V203 Y211Y157-D207 WeakPolarHBondContact CE2-OD2 3.08Å; Y157-D207 PolarHBondContact OH-OD1 2.72Å; V203-D207 WeakPolarHBondContact CG1-OD2 3.14Å; V203-D207 WeakPolarHBondContact O-CB 3.32Å; V203-D207 PolarHBondContact O-N 2.99Å; D207-Y211 HydrophobicContact CB-CD2 3.97Å; D207-Y211 HydrophobicContact CB-CE2 4.28Å; D207-Y211 WeakPolarHBondContact O-CB 3.26Å; D207-Y211 VanDerWaalsContact O-CD2 3.3Å; D207-Y211 WeakPolarHBondContact O-CD2 3.25Å; D207-Y211 PolarHBondContact O-N 3.03Å; D207-Y211 VanDerWaalsContact O-N 3.1Å
208W84.4Confident75.6Confident195 Ų19567.3 Ų67.374%0.73934%0.338SS*.Hα-helixtrans-59.8-45.7173.8175.8-94.7000111.6F204 I205 A212F204-W208 VanDerWaalsContact O-CB 3.25Å; F204-W208 WeakPolarHBondContact O-CB 3.43Å; F204-W208 PolarHBondContact O-N 2.78Å; I205-W208 PolarHBondContact O-N 3.25Å; W208-A212 WeakPolarHBondContact O-CB 3.24Å; W208-A212 PolarHBondContact O-N 3.25Å
209I78.5Confident73.6Confident25 Ų2569 Ų6913%0.12835%0.352CS..Hα-helixtrans-70.8-58179.2-66.2-176.4000110.9I205 K206 Y211 A212 E225 C226 V229I205-I209 PolarHBondContact O-N 3.05Å; I205-I209 VanDerWaalsContact O-N 3.14Å; K206-I209 PolarHBondContact O-N 2.85Å; I209-Y211 PolarHBondContact O-N 3.47Å; I209-Y211 VanDerWaalsContact O-N 3.15Å; I209-A212 PolarHBondContact O-N 3.25Å; I209-E225 HydrophobicContact CD1-CG 4.31Å; I209-C226 HydrophobicContact CG2-CB 4.31Å; I209-V229 HydrophobicContact CD1-CB 4.01Å; I209-V229 HydrophobicContact CD1-CG1 4.14Å; I209-V229 HydrophobicContact CD1-CG2 3.67Å
210L71.5Confident71.4Confident43 Ų4374.9 Ų74.923%0.22538%0.378CS..Hα-helixtrans-64.7-24.2-172.2-65.1179.2000114.2K206K206-L210 HydrophobicContact CD-CD1 4.11Å; K206-L210 HydrophobicContact CG-CD1 3.83Å; K206-L210 HydrophobicContact CG-CG 4.4Å; K206-L210 WeakPolarHBondContact O-CB 3.48Å; K206-L210 WeakPolarHBondContact O-CG 3.37Å; K206-L210 PolarHBondContact O-N 3.29Å
211Y69.4Low69.3Low96 Ų9675.5 Ų75.538%0.37638%0.381SS..Hα-helixtrans-106.8-4.3179.4-62.3-72.4000114.9K154 D207 I209K154-Y211 HydrophobicContact CD-CD2 4.25Å; K154-Y211 HydrophobicContact CD-CE1 4.32Å; K154-Y211 HydrophobicContact CD-CE2 3.75Å; K154-Y211 VanDerWaalsContact CE-CD2 3.47Å; K154-Y211 VanDerWaalsContact CE-CE2 3.48Å; D207-Y211 HydrophobicContact CB-CD2 3.97Å; D207-Y211 HydrophobicContact CB-CE2 4.28Å; D207-Y211 WeakPolarHBondContact O-CB 3.26Å; D207-Y211 VanDerWaalsContact O-CD2 3.3Å; D207-Y211 WeakPolarHBondContact O-CD2 3.25Å; D207-Y211 PolarHBondContact O-N 3.03Å; D207-Y211 VanDerWaalsContact O-N 3.1Å; I209-Y211 PolarHBondContact O-N 3.47Å; I209-Y211 VanDerWaalsContact O-N 3.15Å
212A59.4Low67.4Low60 Ų6072.6 Ų72.650%0.49637%0.366SS..Hα-helixtrans-79.7-21.1168.700000112.4W208 I209 Q214W208-A212 WeakPolarHBondContact O-CB 3.24Å; W208-A212 PolarHBondContact O-N 3.25Å; I209-A212 PolarHBondContact O-N 3.25Å; A212-Q214 VanDerWaalsContact C-N 3.33Å; A212-Q214 PolarHBondContact O-N 3.43Å
213E52.4Low66.2Low51 Ų5175.2 Ų75.224%0.23838%0.382CS..THydrogen-bonded Turntrans-86.30.5-173.1-148151.1146.200114D215 H218 I221E213-D215 PolarHBondContact O-N 2.87Å; E213-H218 VanDerWaalsContact OE1-O 3.09Å; E213-I221 HydrophobicContact CB-CD1 4.27Å; E213-I221 HydrophobicContact CG-CD1 4.33Å; E213-I221 VanDerWaalsContact OE1-CA 3.26Å; E213-I221 WeakPolarHBondContact OE1-CA 3.46Å; E213-I221 WeakPolarHBondContact OE1-CB 3.22Å; E213-I221 PolarHBondContact OE1-N 3.3Å
214Q51.7Low65.6Low165 Ų16578.1 Ų78.177%0.77140%0.4SS*.THydrogen-bonded Turntrans-69.4-13178.3-149.7164.815.300113.2A212 S216A212-Q214 VanDerWaalsContact C-N 3.33Å; A212-Q214 PolarHBondContact O-N 3.43Å; Q214-S216 PolarHBondContact O-N 3.37Å
215D47Very low65Low136 Ų13681.9 Ų81.973%0.72742%0.418SS*.SBendtrans-80.444.6173.8-87.5-25.6000113.8E213 N217E213-D215 PolarHBondContact O-N 2.87Å; D215-N217 PolarHBondContact O-N 2.92Å; D215-N217 PolarHBondContact O-ND2 3.38Å
216S47.7Very low64.6Low109 Ų10978.8 Ų78.876%0.76240%0.402SS*.SBendtrans48.2-2.4156.261.30000122.4Q214Q214-S216 PolarHBondContact O-N 3.37Å
217N50.5Low64.6Low129 Ų12977.3 Ų77.369%0.6940%0.396SS*.  trans-117.8-8.8-163.6-72.2-83.3000115.5D215D215-N217 PolarHBondContact O-N 2.92Å; D215-N217 PolarHBondContact O-ND2 3.38Å
218H47.5Very low64.7Low128 Ų12878 Ų7859%0.59340%0.404SS*.  trans-116102.9-175.3-74.1-68.3000111.7E213 F220E213-H218 VanDerWaalsContact OE1-O 3.09Å; H218-F220 HydrophobicContact CB-CD2 4.04Å; H218-F220 AromaticContact ND1-CD2 3.84Å; H218-F220 PolarHBondContact O-N 2.91Å
219C53.8Low64.9Low62 Ų6269.7 Ų69.742%0.41937%0.374SS..  trans-80.562.5173.2175.10000110.3C25C25-C219 HydrophobicContact CB-CB 4.5Å; C25-C219 WeakPolarHBondContact CB-SG 3.49Å; C25-C219 VanDerWaalsContact SG-C 3.51Å; C25-C219 WeakPolarHBondContact SG-CA 3.17Å; C25-C219 WeakPolarHBondContact SG-CB 3.35Å; C25-C219 CovalentContact SG-SG 2.03Å; C25-C219 PolarHBondContact SG-SG 3.11Å
220F50Low65.5Low134 Ų13468.9 Ų68.959%0.58837%0.37SS*.  trans-136.7-3.8-165.4-76.8-73.3000116.6H218 S222 T223H218-F220 HydrophobicContact CB-CD2 4.04Å; H218-F220 AromaticContact ND1-CD2 3.84Å; H218-F220 PolarHBondContact O-N 2.91Å; F220-S222 PolarHBondContact O-N 2.9Å; F220-T223 WeakPolarHBondContact O-CG2 3.21Å; F220-T223 PolarHBondContact O-N 2.89Å
221I53.3Low66.6Low13 Ų1367.2 Ų67.27%0.06736%0.362CS..THydrogen-bonded Turntrans-45.6-42.7-173.3-123.8153.2000114.1H22 E213 T223 C226 C296H22-I221 HydrophobicContact CB-CB 3.95Å; H22-I221 HydrophobicContact CB-CG2 3.68Å; H22-I221 WeakPolarHBondContact CD2-CG2 3.27Å; E213-I221 HydrophobicContact CB-CD1 4.27Å; E213-I221 HydrophobicContact CG-CD1 4.33Å; E213-I221 VanDerWaalsContact OE1-CA 3.26Å; E213-I221 WeakPolarHBondContact OE1-CA 3.46Å; E213-I221 WeakPolarHBondContact OE1-CB 3.22Å; E213-I221 PolarHBondContact OE1-N 3.3Å; I221-T223 PolarHBondContact O-N 2.83Å; I221-T223 PolarHBondContact O-OG1 2.92Å; I221-C226 WeakPolarHBondContact O-CB 3.46Å; I221-C296 HydrophobicContact CG2-CB 4.27Å
222S54.5Low67.7Low1 Ų164.7 Ų64.71%0.00735%0.353CS..THydrogen-bonded Turntrans-82.132.6-178.1-61.10000114.4A20 M21 F220 G295A20-S222 VanDerWaalsContact CA-CB 3.47Å; A20-S222 WeakPolarHBondContact CB-OG 3.46Å; A20-S222 PolarHBondContact N-O 2.82Å; A20-S222 WeakPolarHBondContact O-CB 3.33Å; M21-S222 PolarHBondContact O-OG 2.89Å; F220-S222 PolarHBondContact O-N 2.9Å; S222-G295 WeakPolarHBondContact CB-O 3.43Å; S222-G295 WeakPolarHBondContact OG-CA 3.44Å; S222-G295 PolarHBondContact OG-O 3.38Å
223T68.9Low69.4Low56 Ų5663.7 Ų63.734%0.34434%0.337SS..SBendtrans-51.7151.615547.50000110.7F220 I221 E225 C226 K227F220-T223 WeakPolarHBondContact O-CG2 3.21Å; F220-T223 PolarHBondContact O-N 2.89Å; I221-T223 PolarHBondContact O-N 2.83Å; I221-T223 PolarHBondContact O-OG1 2.92Å; T223-E225 PolarHBondContact O-N 3.07Å; T223-C226 PolarHBondContact O-N 3.07Å; T223-C226 PolarHBondContact OG1-N 3.33Å; T223-K227 PolarHBondContact O-N 3.01Å
224V80.1Confident71.4Confident70 Ų7061.8 Ų61.842%0.42433%0.328SS..Hα-helixtrans-57.8-27.1167.9175.80000111.1M17 A228M17-V224 HydrophobicContact CB-CG1 4.35Å; M17-V224 WeakPolarHBondContact O-CG2 3.37Å; V224-A228 WeakPolarHBondContact O-CB 3.32Å; V224-A228 PolarHBondContact O-N 3.28Å
225E79.8Confident73.5Confident134 Ų13454 Ų5463%0.62629%0.292SS*.Hα-helixtrans-62.3-50.7175.3-176.8167.5-170.400113I209 T223 K227 A228 V229I209-E225 HydrophobicContact CD1-CG 4.31Å; T223-E225 PolarHBondContact O-N 3.07Å; E225-K227 PolarHBondContact O-N 3.01Å; E225-A228 PolarHBondContact O-N 3.46Å; E225-V229 WeakPolarHBondContact O-CG2 3.41Å; E225-V229 PolarHBondContact O-N 2.95Å
226C82.5Confident75.9Confident2 Ų247.5 Ų47.51%0.01426%0.257CS..Hα-helixtrans-61.6-48.3179.6-163.50000111.4I209 I221 T223 A228 V229 M230 C296I209-C226 HydrophobicContact CG2-CB 4.31Å; I221-C226 WeakPolarHBondContact O-CB 3.46Å; T223-C226 PolarHBondContact O-N 3.07Å; T223-C226 PolarHBondContact OG1-N 3.33Å; C226-A228 VanDerWaalsContact C-N 3.33Å; C226-A228 PolarHBondContact O-N 3.44Å; C226-V229 PolarHBondContact O-N 3.43Å; C226-V229 VanDerWaalsContact O-N 3.1Å; C226-M230 PolarHBondContact O-N 3.39Å; C226-C296 HydrophobicContact CB-CB 4.08Å; C226-C296 WeakPolarHBondContact CB-SG 3.45Å; C226-C296 PolarHBondContact O-SG 3.46Å; C226-C296 VanDerWaalsContact O-SG 3.39Å; C226-C296 WeakPolarHBondContact SG-CB 3.39Å; C226-C296 CovalentContact SG-SG 2.03Å; C226-C296 PolarHBondContact SG-SG 2.8Å
227K86.5Confident78.1Confident0 Ų043.7 Ų43.70%023%0.229CC..Hα-helixtrans-58.7-42.6175.9-63.8-177.8-178.8-1780111.6M17 A18 T223 E225 V229 M230 V231 D293 G295 W297M17-K227 HydrophobicContact CE-CB 3.6Å; A18-K227 PolarHBondContact O-NZ 3.44Å; T223-K227 PolarHBondContact O-N 3.01Å; E225-K227 PolarHBondContact O-N 3.01Å; K227-V229 VanDerWaalsContact C-N 3.34Å; K227-V229 PolarHBondContact O-N 3.1Å; K227-M230 PolarHBondContact O-N 2.92Å; K227-V231 WeakPolarHBondContact O-CG2 3.21Å; K227-V231 PolarHBondContact O-N 2.8Å; K227-D293 WeakPolarHBondContact CE-OD1 3.3Å; K227-D293 IonicContact NZ-OD1 2.68Å; K227-D293 PolarHBondContact NZ-OD1 2.87Å; K227-D293 IonicContact NZ-OD2 2.77Å; K227-D293 PolarHBondContact NZ-OD2 3.13Å; K227-G295 WeakPolarHBondContact CE-O 3.24Å; K227-W297 HydrophobicContact CD-CZ2 3.97Å; K227-W297 HydrophobicContact CG-CD2 4.45Å
228A89Confident80.2Confident30 Ų3037.6 Ų37.625%0.24820%0.197CC..Hα-helixtrans-65.1-35176.400000112.8M17 V224 E225 C226 F232M17-A228 HydrophobicContact CE-CB 4.3Å; V224-A228 WeakPolarHBondContact O-CB 3.32Å; V224-A228 PolarHBondContact O-N 3.28Å; E225-A228 PolarHBondContact O-N 3.46Å; C226-A228 VanDerWaalsContact C-N 3.33Å; C226-A228 PolarHBondContact O-N 3.44Å; A228-F232 WeakPolarHBondContact O-CB 3.43Å; A228-F232 PolarHBondContact O-N 3.32Å
229V90.1Very high82.6Confident20 Ų2031.5 Ų31.512%0.12117%0.169CC..Hα-helixtrans-69.5-38.8173.31650000111.7I205 K206 I209 E225 C226 K227 F232 F233I205-V229 HydrophobicContact CG2-CB 4.47Å; I205-V229 HydrophobicContact CG2-CG1 3.78Å; I205-V229 HydrophobicContact CG2-CG2 3.78Å; K206-V229 HydrophobicContact CB-CG1 4.47Å; I209-V229 HydrophobicContact CD1-CB 4.01Å; I209-V229 HydrophobicContact CD1-CG1 4.14Å; I209-V229 HydrophobicContact CD1-CG2 3.67Å; E225-V229 WeakPolarHBondContact O-CG2 3.41Å; E225-V229 PolarHBondContact O-N 2.95Å; C226-V229 PolarHBondContact O-N 3.43Å; C226-V229 VanDerWaalsContact O-N 3.1Å; K227-V229 VanDerWaalsContact C-N 3.34Å; K227-V229 PolarHBondContact O-N 3.1Å; V229-F232 PolarHBondContact O-N 3.07Å; V229-F233 WeakPolarHBondContact O-CB 3.41Å; V229-F233 PolarHBondContact O-N 3.45Å
230M90.3Very high84.6Confident8 Ų828.6 Ų28.64%0.03915%0.149CC..Hα-helixtrans-66.2-37.5174-70.7-56.5-61.300112.3K206 C226 K227 F233 H234 C296 D298K206-M230 HydrophobicContact CD-CE 4.48Å; K206-M230 HydrophobicContact CD-SD 4Å; K206-M230 HydrophobicContact CG-SD 3.69Å; C226-M230 PolarHBondContact O-N 3.39Å; K227-M230 PolarHBondContact O-N 2.92Å; M230-F233 HydrophobicContact CE-CD1 4.17Å; M230-F233 PolarHBondContact O-N 2.69Å; M230-H234 PolarHBondContact O-N 2.78Å; M230-H234 PolarHBondContact O-ND1 3.22Å; M230-C296 WeakPolarHBondContact CB-O 3.36Å; M230-C296 VanDerWaalsContact CG-O 3.29Å; M230-C296 WeakPolarHBondContact CG-O 3.32Å; M230-C296 WeakPolarHBondContact CG-SG 3.4Å; M230-D298 HydrophobicContact CE-CB 4.18Å
231V93.6Very high86.7Confident7 Ų723.6 Ų23.64%0.04213%0.126CC..Hα-helixtrans-60.6-47.2169.3168.70000111.4L12 M17 K227 F233 H234 Y235 V281 W284 A285 W297L12-V231 HydrophobicContact CD2-CG1 3.82Å; M17-V231 HydrophobicContact CE-CG2 4.2Å; M17-V231 HydrophobicContact SD-CG2 4.49Å; K227-V231 WeakPolarHBondContact O-CG2 3.21Å; K227-V231 PolarHBondContact O-N 2.8Å; V231-F233 PolarHBondContact O-N 3.07Å; V231-H234 PolarHBondContact O-N 2.83Å; V231-Y235 WeakPolarHBondContact O-CB 3.23Å; V231-Y235 PolarHBondContact O-N 3.28Å; V231-V281 HydrophobicContact CG1-CG1 3.92Å; V231-W284 HydrophobicContact CG2-CZ3 4.2Å; V231-A285 HydrophobicContact CG2-CB 3.96Å; V231-W297 HydrophobicContact CG2-CE3 4.01Å; V231-W297 HydrophobicContact CG2-CZ3 3.49Å; V231-W297 VanDerWaalsContact CG2-CZ3 3.49Å
232F94Very high88.7Confident44 Ų4423.7 Ų23.719%0.19313%0.126CC..Hα-helixtrans-63.4-39.8178175.3-107.5000112.7L9 L198 I205 A228 V229 Y235 C236L9-F232 HydrophobicContact CD2-CD2 3.64Å; L9-F232 HydrophobicContact CD2-CE2 3.67Å; L198-F232 HydrophobicContact CD2-CZ 4.4Å; I205-F232 HydrophobicContact CD1-CE1 4.15Å; A228-F232 WeakPolarHBondContact O-CB 3.43Å; A228-F232 PolarHBondContact O-N 3.32Å; V229-F232 PolarHBondContact O-N 3.07Å; F232-Y235 PolarHBondContact O-N 3.5Å; F232-C236 WeakPolarHBondContact CE2-SG 3.33Å; F232-C236 VanDerWaalsContact CZ-SG 3.55Å; F232-C236 WeakPolarHBondContact O-CB 3.32Å; F232-C236 PolarHBondContact O-N 3.4Å; F232-C236 PolarHBondContact O-SG 3.02Å
233F93.9Very high90.7Very high39 Ų3923.7 Ų23.717%0.17113%0.126CC..Hα-helixtrans-60.1-53.2174.8169.1-100.2000111.6V203 K206 V229 M230 V231 Y235 C236 V237V203-F233 HydrophobicContact CG2-CD2 4.47Å; V203-F233 HydrophobicContact CG2-CE2 3.91Å; K206-F233 HydrophobicContact CB-CD2 4.23Å; K206-F233 HydrophobicContact CD-CD1 4.21Å; K206-F233 HydrophobicContact CD-CD2 3.93Å; K206-F233 HydrophobicContact CD-CE1 4.22Å; K206-F233 HydrophobicContact CD-CE2 3.96Å; K206-F233 HydrophobicContact CD-CG 4.07Å; K206-F233 HydrophobicContact CD-CZ 4.1Å; K206-F233 HydrophobicContact CG-CD2 4.5Å; V229-F233 WeakPolarHBondContact O-CB 3.41Å; V229-F233 PolarHBondContact O-N 3.45Å; M230-F233 HydrophobicContact CE-CD1 4.17Å; M230-F233 PolarHBondContact O-N 2.69Å; V231-F233 PolarHBondContact O-N 3.07Å; F233-Y235 VanDerWaalsContact C-N 3.32Å; F233-Y235 PolarHBondContact O-N 2.89Å; F233-C236 PolarHBondContact O-N 2.94Å; F233-V237 HydrophobicContact CD2-CG2 4.2Å; F233-V237 HydrophobicContact CE1-CG2 4.4Å; F233-V237 HydrophobicContact CE2-CG2 3.81Å; F233-V237 HydrophobicContact CZ-CG2 3.93Å; F233-V237 WeakPolarHBondContact O-CG2 3.28Å; F233-V237 PolarHBondContact O-N 2.98Å
234H94.5Very high91.9Very high11 Ų1121.2 Ų21.25%0.05111%0.111CC..Hα-helixtrans-58.9-42.9176.3-73.4103.2000111.6M230 V231 C236 V237 V238 V281 W284 W306M230-H234 PolarHBondContact O-N 2.78Å; M230-H234 PolarHBondContact O-ND1 3.22Å; V231-H234 PolarHBondContact O-N 2.83Å; H234-C236 PolarHBondContact O-N 3.32Å; H234-V237 PolarHBondContact O-N 3.34Å; H234-V238 WeakPolarHBondContact O-CB 3.28Å; H234-V238 VanDerWaalsContact O-CG2 3.24Å; H234-V238 WeakPolarHBondContact O-CG2 3.39Å; H234-V238 PolarHBondContact O-N 3.36Å; H234-V281 HydrophobicContact CB-CG1 4.41Å; H234-V281 HydrophobicContact CB-CG2 4.13Å; H234-W284 AromaticContact CE1-CH2 3.52Å; H234-W284 AromaticContact CE1-CZ2 3.75Å; H234-W284 AromaticContact ND1-CH2 3.42Å; H234-W284 WeakPolarHBondContact ND1-CH2 2.97Å; H234-W284 AromaticContact ND1-CZ3 3.68Å; H234-W306 AromaticContact NE2-CZ3 3.81Å
235Y96.4Very high92.6Very high0 Ų019.4 Ų19.40%010%0.097CC..Hα-helixtrans-59.3-44.8175.6173.6-104000113L9 L12 V231 F232 F233 S239 P277 T278L9-Y235 HydrophobicContact CD2-CD1 4.12Å; L9-Y235 HydrophobicContact CD2-CE1 4.05Å; L12-Y235 HydrophobicContact CD1-CD1 4.3Å; L12-Y235 HydrophobicContact CD1-CD2 3.93Å; L12-Y235 HydrophobicContact CD1-CE2 4.4Å; L12-Y235 HydrophobicContact CD1-CG 3.86Å; V231-Y235 WeakPolarHBondContact O-CB 3.23Å; V231-Y235 PolarHBondContact O-N 3.28Å; F232-Y235 PolarHBondContact O-N 3.5Å; F233-Y235 VanDerWaalsContact C-N 3.32Å; F233-Y235 PolarHBondContact O-N 2.89Å; Y235-S239 WeakPolarHBondContact CE2-OG 3.38Å; Y235-S239 WeakPolarHBondContact O-CB 3.42Å; Y235-S239 PolarHBondContact O-N 2.97Å; Y235-S239 PolarHBondContact O-OG 2.86Å; Y235-P277 HydrophobicContact CD2-CB 4.08Å; Y235-P277 HydrophobicContact CE2-CB 4.01Å; Y235-T278 WeakPolarHBondContact CE2-OG1 3.16Å
236C96.6Very high93.3Very high0 Ų013 Ų130%07%0.068CC..Hα-helixtrans-70.4-37.9-179.1-67.40000112.6L198 S202 F232 F233 H234 N240L198-C236 HydrophobicContact CB-CB 4.26Å; S202-C236 VanDerWaalsContact OG-CB 3.27Å; S202-C236 WeakPolarHBondContact OG-CB 3.29Å; F232-C236 WeakPolarHBondContact CE2-SG 3.33Å; F232-C236 VanDerWaalsContact CZ-SG 3.55Å; F232-C236 WeakPolarHBondContact O-CB 3.32Å; F232-C236 PolarHBondContact O-N 3.4Å; F232-C236 PolarHBondContact O-SG 3.02Å; F233-C236 PolarHBondContact O-N 2.94Å; H234-C236 PolarHBondContact O-N 3.32Å; C236-N240 PolarHBondContact O-N 2.6Å; C236-N240 VanDerWaalsContact O-N 3.11Å
237V94.6Very high93.8Very high29 Ų2913.1 Ų13.118%0.1767%0.068CC..Hα-helixtrans-66.5-51.6175.2172.70000111.1R199 F233 H234 S239 N240 Y241R199-V237 HydrophobicContact CG-CG2 4.39Å; F233-V237 HydrophobicContact CD2-CG2 4.2Å; F233-V237 HydrophobicContact CE1-CG2 4.4Å; F233-V237 HydrophobicContact CE2-CG2 3.81Å; F233-V237 HydrophobicContact CZ-CG2 3.93Å; F233-V237 WeakPolarHBondContact O-CG2 3.28Å; F233-V237 PolarHBondContact O-N 2.98Å; H234-V237 PolarHBondContact O-N 3.34Å; V237-S239 VanDerWaalsContact C-N 3.33Å; V237-S239 PolarHBondContact O-N 2.97Å; V237-N240 PolarHBondContact O-N 3.08Å; V237-N240 VanDerWaalsContact O-N 3.13Å; V237-Y241 HydrophobicContact CG1-CD2 4.07Å; V237-Y241 HydrophobicContact CG1-CE2 3.76Å; V237-Y241 VanDerWaalsContact O-CD2 3.32Å; V237-Y241 WeakPolarHBondContact O-CD2 3.27Å; V237-Y241 PolarHBondContact O-N 3.21Å
238V95.6Very high94.1Very high1 Ų113.1 Ų13.11%0.0067%0.068CC..Hα-helixtrans-62.3-41.4178.81780000110.7H234 N240 Y241 F242 P277 V281 I309 V313H234-V238 WeakPolarHBondContact O-CB 3.28Å; H234-V238 VanDerWaalsContact O-CG2 3.24Å; H234-V238 WeakPolarHBondContact O-CG2 3.39Å; H234-V238 PolarHBondContact O-N 3.36Å; V238-N240 VanDerWaalsContact C-N 3.29Å; V238-N240 PolarHBondContact O-N 3.47Å; V238-Y241 PolarHBondContact O-N 2.86Å; V238-F242 HydrophobicContact CG1-CD2 3.74Å; V238-F242 HydrophobicContact CG1-CE2 3.87Å; V238-F242 WeakPolarHBondContact O-CD2 3.38Å; V238-F242 PolarHBondContact O-N 3.48Å; V238-P277 HydrophobicContact CB-CB 4.28Å; V238-P277 HydrophobicContact CG1-CB 3.87Å; V238-P277 HydrophobicContact CG1-CG 4.17Å; V238-V281 HydrophobicContact CG2-CG2 4.41Å; V238-I309 HydrophobicContact CG2-CG2 3.78Å; V238-V313 HydrophobicContact CG1-CG2 4.37Å; V238-V313 HydrophobicContact CG2-CG2 3.95Å
239S96.5Very high94.3Very high1 Ų113.6 Ų13.61%0.0077%0.066CC..Hα-helixtrans-59-38.4175-62.70000112.7Y235 V237 F242 W243 P277Y235-S239 WeakPolarHBondContact CE2-OG 3.38Å; Y235-S239 WeakPolarHBondContact O-CB 3.42Å; Y235-S239 PolarHBondContact O-N 2.97Å; Y235-S239 PolarHBondContact O-OG 2.86Å; V237-S239 VanDerWaalsContact C-N 3.33Å; V237-S239 PolarHBondContact O-N 2.97Å; S239-F242 PolarHBondContact O-N 3.23Å; S239-W243 VanDerWaalsContact O-CD1 3.24Å; S239-W243 PolarHBondContact O-N 3.19Å; S239-P277 VanDerWaalsContact OG-CB 3.29Å; S239-P277 WeakPolarHBondContact OG-CB 3.31Å
240N95.4Very high94.4Very high0 Ų013.3 Ų13.30%06%0.063CC..Hα-helixtrans-66-42.7177.7-178.3-125.3000112.1S195 F196 R199 C236 V237 V238 W243 L244S195-N240 PolarHBondContact OG-ND2 3.17Å; F196-N240 VanDerWaalsContact CD1-ND2 3.26Å; F196-N240 WeakPolarHBondContact CD1-ND2 3.38Å; F196-N240 WeakPolarHBondContact CE1-ND2 3.4Å; F196-N240 WeakPolarHBondContact CG-ND2 3.18Å; R199-N240 HydrophobicContact CB-CB 4.26Å; R199-N240 WeakPolarHBondContact CD-OD1 3.27Å; R199-N240 PolarHBondContact NH1-OD1 3.49Å; C236-N240 PolarHBondContact O-N 2.6Å; C236-N240 VanDerWaalsContact O-N 3.11Å; V237-N240 PolarHBondContact O-N 3.08Å; V237-N240 VanDerWaalsContact O-N 3.13Å; V238-N240 VanDerWaalsContact C-N 3.29Å; V238-N240 PolarHBondContact O-N 3.47Å; N240-W243 PolarHBondContact O-N 3.1Å; N240-L244 VanDerWaalsContact O-CG 3.29Å; N240-L244 WeakPolarHBondContact O-CG 3.39Å; N240-L244 PolarHBondContact O-N 3.32Å; N240-L244 VanDerWaalsContact O-N 3.07Å
241Y94.8Very high94.4Very high29 Ų2915 Ų1511%0.1147%0.071CC..Hα-helixtrans-60.8-44.3172.1-74.6-70000112.6V237 V238 W243 L244 F245 V313 I317 Y366V237-Y241 HydrophobicContact CG1-CD2 4.07Å; V237-Y241 HydrophobicContact CG1-CE2 3.76Å; V237-Y241 VanDerWaalsContact O-CD2 3.32Å; V237-Y241 WeakPolarHBondContact O-CD2 3.27Å; V237-Y241 PolarHBondContact O-N 3.21Å; V238-Y241 PolarHBondContact O-N 2.86Å; Y241-W243 VanDerWaalsContact C-N 3.35Å; Y241-W243 PolarHBondContact O-N 2.91Å; Y241-L244 WeakPolarHBondContact O-CB 3.32Å; Y241-L244 PolarHBondContact O-N 3.07Å; Y241-F245 PolarHBondContact O-N 3.48Å; Y241-V313 HydrophobicContact CD1-CG1 4.09Å; Y241-V313 HydrophobicContact CD2-CB 4.48Å; Y241-V313 HydrophobicContact CD2-CG1 3.6Å; Y241-V313 HydrophobicContact CD2-CG2 4.03Å; Y241-V313 HydrophobicContact CE1-CG1 4.24Å; Y241-V313 HydrophobicContact CE2-CG1 3.75Å; Y241-V313 HydrophobicContact CG-CG1 3.78Å; Y241-V313 HydrophobicContact CG-CG2 4.48Å; Y241-I317 HydrophobicContact CD1-CD1 4Å; Y241-I317 HydrophobicContact CD1-CG1 4.05Å; Y241-I317 HydrophobicContact CE1-CD1 3.81Å; Y241-I317 HydrophobicContact CE1-CG1 4.27Å; Y241-Y366 HydrophobicContact CD1-CD2 4.45Å; Y241-Y366 HydrophobicContact CE1-CD1 4.18Å; Y241-Y366 AromaticContact CE1-CD2 3.68Å; Y241-Y366 HydrophobicContact CE1-CD2 3.68Å; Y241-Y366 HydrophobicContact CE1-CE1 4.26Å; Y241-Y366 AromaticContact CE1-CE2 3.78Å; Y241-Y366 HydrophobicContact CE1-CE2 3.78Å; Y241-Y366 AromaticContact CE1-CG 3.91Å; Y241-Y366 HydrophobicContact CE1-CG 3.91Å
242F95.8Very high94.3Very high16 Ų1617.4 Ų17.47%0.078%0.081CC..Hα-helixtrans-64.8-34.6177.1-90.2-95.6000113.1V238 S239 F245 I246 I272 T276 P277 P312V238-F242 HydrophobicContact CG1-CD2 3.74Å; V238-F242 HydrophobicContact CG1-CE2 3.87Å; V238-F242 WeakPolarHBondContact O-CD2 3.38Å; V238-F242 PolarHBondContact O-N 3.48Å; S239-F242 PolarHBondContact O-N 3.23Å; F242-F245 HydrophobicContact CD1-CD1 4.42Å; F242-F245 PolarHBondContact O-N 3.09Å; F242-I246 WeakPolarHBondContact O-CB 3.26Å; F242-I246 VanDerWaalsContact O-CG1 3.26Å; F242-I246 WeakPolarHBondContact O-CG1 3.3Å; F242-I246 PolarHBondContact O-N 3.04Å; F242-I272 HydrophobicContact CD1-CG2 4.36Å; F242-T276 HydrophobicContact CD1-CG2 4.32Å; F242-T276 HydrophobicContact CE1-CG2 3.46Å; F242-T276 VanDerWaalsContact CE1-CG2 3.46Å; F242-T276 HydrophobicContact CE2-CG2 4.39Å; F242-T276 HydrophobicContact CZ-CG2 3.5Å; F242-P277 HydrophobicContact CB-CG 3.84Å; F242-P277 HydrophobicContact CD2-CG 3.98Å; F242-P277 HydrophobicContact CG-CG 3.9Å; F242-P312 HydrophobicContact CE2-CB 4.13Å; F242-P312 HydrophobicContact CZ-CB 4.22Å
243W96.1Very high94.3Very high0 Ų016.2 Ų16.20%08%0.078CC..Hα-helixtrans-71.1-32.6173.8-84.7101.8000113.6I188 N191 L192 S239 N240 Y241 I246 E247 G273 W274I188-W243 HydrophobicContact CD1-CZ3 4.1Å; I188-W243 HydrophobicContact CG2-CZ3 4.46Å; N191-W243 HydrophobicContact CB-CD2 3.86Å; N191-W243 HydrophobicContact CB-CE3 3.67Å; N191-W243 HydrophobicContact CB-CH2 3.48Å; N191-W243 VanDerWaalsContact CB-CH2 3.48Å; N191-W243 HydrophobicContact CB-CZ2 3.65Å; N191-W243 HydrophobicContact CB-CZ3 3.47Å; N191-W243 VanDerWaalsContact CB-CZ3 3.47Å; N191-W243 WeakPolarHBondContact ND2-CH2 3.08Å; L192-W243 HydrophobicContact CD1-CB 3.78Å; S239-W243 VanDerWaalsContact O-CD1 3.24Å; S239-W243 PolarHBondContact O-N 3.19Å; N240-W243 PolarHBondContact O-N 3.1Å; Y241-W243 VanDerWaalsContact C-N 3.35Å; Y241-W243 PolarHBondContact O-N 2.91Å; W243-I246 HydrophobicContact CE3-CB 4.3Å; W243-I246 HydrophobicContact CE3-CG2 3.89Å; W243-I246 HydrophobicContact CH2-CG2 4.38Å; W243-I246 HydrophobicContact CZ3-CB 4.49Å; W243-I246 HydrophobicContact CZ3-CG2 3.64Å; W243-I246 PolarHBondContact O-N 3.23Å; W243-E247 PolarHBondContact O-N 3.42Å; W243-G273 PolarHBondContact NE1-O 3.18Å; W243-W274 AromaticContact CE2-CE2 3.77Å; W243-W274 AromaticContact CE2-NE1 3.72Å; W243-W274 AromaticContact CZ2-CD1 3.7Å; W243-W274 AromaticContact CZ2-CE2 3.97Å; W243-W274 HydrophobicContact CZ2-CG 4.39Å; W243-W274 AromaticContact CZ2-NE1 3.41Å; W243-W274 AromaticContact NE1-CD1 3.99Å; W243-W274 AromaticContact NE1-CD2 3.38Å; W243-W274 AromaticContact NE1-CE2 3.19Å; W243-W274 AromaticContact NE1-CE3 3.75Å; W243-W274 AromaticContact NE1-CG 3.91Å; W243-W274 AromaticContact NE1-CH2 3.79Å; W243-W274 AromaticContact NE1-CZ2 3.42Å; W243-W274 AromaticContact NE1-CZ3 3.95Å; W243-W274 AromaticContact NE1-NE1 3.59Å
244L93.5Very high94.1Very high4 Ų417.1 Ų17.12%0.0218%0.084CC..Hα-helixtrans-65.3-41.1171.8-68.5166000111.9L192 F196 N240 Y241 G248 N320 L361 Y366L192-L244 HydrophobicContact CD1-CD2 3.87Å; L192-L244 HydrophobicContact CD1-CG 4.07Å; F196-L244 HydrophobicContact CE2-CD2 4.15Å; F196-L244 HydrophobicContact CZ-CD1 4.47Å; F196-L244 HydrophobicContact CZ-CD2 3.87Å; F196-L244 HydrophobicContact CZ-CG 4.49Å; N240-L244 VanDerWaalsContact O-CG 3.29Å; N240-L244 WeakPolarHBondContact O-CG 3.39Å; N240-L244 PolarHBondContact O-N 3.32Å; N240-L244 VanDerWaalsContact O-N 3.07Å; Y241-L244 WeakPolarHBondContact O-CB 3.32Å; Y241-L244 PolarHBondContact O-N 3.07Å; L244-G248 PolarHBondContact O-N 3.37Å; L244-N320 PolarHBondContact O-ND2 2.88Å; L244-L361 WeakPolarHBondContact CD2-O 3.44Å; L244-Y366 HydrophobicContact CD1-CE2 4.31Å
245F94.5Very high93.8Very high33 Ų3319 Ų1915%0.1459%0.094CC..Hα-helixtrans-64.6-45.3172.3159-112.1000112.2Y241 F242 E247 G248 L249 V319 L323Y241-F245 PolarHBondContact O-N 3.48Å; F242-F245 HydrophobicContact CD1-CD1 4.42Å; F242-F245 PolarHBondContact O-N 3.09Å; F245-E247 VanDerWaalsContact C-N 3.29Å; F245-E247 PolarHBondContact O-N 3.13Å; F245-G248 PolarHBondContact O-N 2.85Å; F245-L249 HydrophobicContact CE1-CD2 4.41Å; F245-L249 HydrophobicContact CE2-CB 4.32Å; F245-L249 HydrophobicContact CE2-CD2 4.39Å; F245-L249 HydrophobicContact CZ-CD2 3.87Å; F245-L249 WeakPolarHBondContact O-CB 3.42Å; F245-L249 PolarHBondContact O-N 3.24Å; F245-V319 HydrophobicContact CD2-CB 4.45Å; F245-V319 HydrophobicContact CD2-CG1 4.26Å; F245-V319 HydrophobicContact CE2-CB 4.2Å; F245-V319 HydrophobicContact CE2-CG1 3.65Å; F245-L323 HydrophobicContact CD2-CD1 4.3Å; F245-L323 HydrophobicContact CE2-CD1 4.11Å
246I95.2Very high93.5Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-63.6-33.5178.8-75.1-67.3000112.2I188 F242 W243 L249 Y250 Y269 I272I188-I246 HydrophobicContact CD1-CG2 4.4Å; F242-I246 WeakPolarHBondContact O-CB 3.26Å; F242-I246 VanDerWaalsContact O-CG1 3.26Å; F242-I246 WeakPolarHBondContact O-CG1 3.3Å; F242-I246 PolarHBondContact O-N 3.04Å; W243-I246 HydrophobicContact CE3-CB 4.3Å; W243-I246 HydrophobicContact CE3-CG2 3.89Å; W243-I246 HydrophobicContact CH2-CG2 4.38Å; W243-I246 HydrophobicContact CZ3-CB 4.49Å; W243-I246 HydrophobicContact CZ3-CG2 3.64Å; W243-I246 PolarHBondContact O-N 3.23Å; I246-L249 HydrophobicContact CD1-CD2 4.43Å; I246-Y250 VanDerWaalsContact O-CB 3.25Å; I246-Y250 WeakPolarHBondContact O-CB 3.4Å; I246-Y250 PolarHBondContact O-N 3.36Å; I246-Y269 HydrophobicContact CD1-CD1 3.83Å; I246-Y269 HydrophobicContact CD1-CG 4.29Å; I246-Y269 HydrophobicContact CG2-CG 4.33Å; I246-I272 HydrophobicContact CD1-CB 4.13Å; I246-I272 HydrophobicContact CD1-CG2 3.96Å
247E92.8Very high93.1Very high3 Ų327.3 Ų27.31%0.01414%0.138CC..Hα-helixtrans-68.3-43174.1-175.6161.3-96.100112.6I188 H189 L192 W243 F245 Y250 L251 L361 Y400I188-E247 HydrophobicContact CG2-CB 4.41Å; H189-E247 IonicContact CE1-OE1 3.7Å; H189-E247 PolarHBondContact CE1-OE1 3.03Å; H189-E247 IonicContact CG-OE1 3.83Å; H189-E247 IonicContact ND1-OE1 3.06Å; H189-E247 PolarHBondContact ND1-OE1 2.96Å; L192-E247 VanDerWaalsContact CD2-CD 3.47Å; L192-E247 WeakPolarHBondContact CD2-OE1 3.47Å; L192-E247 WeakPolarHBondContact CD2-OE2 3.32Å; W243-E247 PolarHBondContact O-N 3.42Å; F245-E247 VanDerWaalsContact C-N 3.29Å; F245-E247 PolarHBondContact O-N 3.13Å; E247-Y250 PolarHBondContact O-N 2.85Å; E247-L251 PolarHBondContact O-N 2.95Å; E247-L361 HydrophobicContact CG-CD2 4.48Å; E247-L361 WeakPolarHBondContact OE2-CD2 3.04Å; E247-L361 WeakPolarHBondContact OE2-CG 3.03Å; E247-Y400 WeakPolarHBondContact OE2-CE2 2.94Å
248G92.3Very high92.3Very high0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-63.1-44173.500000113L244 F245 L251 F252 N320 F362L244-G248 PolarHBondContact O-N 3.37Å; F245-G248 PolarHBondContact O-N 2.85Å; G248-L251 PolarHBondContact O-N 3.25Å; G248-F252 WeakPolarHBondContact O-CB 3.47Å; G248-F252 PolarHBondContact O-N 2.99Å; G248-N320 WeakPolarHBondContact CA-OD1 3.29Å; G248-F362 VanDerWaalsContact CA-CE1 3.44Å
249L93.8Very high91.5Very high40 Ų4040.3 Ų40.321%0.20920%0.202CC..Hα-helixtrans-61.8-45.4175.4-177.361.4000111.5F245 I246 L251 F252 T253 Y269 L323F245-L249 HydrophobicContact CE1-CD2 4.41Å; F245-L249 HydrophobicContact CE2-CB 4.32Å; F245-L249 HydrophobicContact CE2-CD2 4.39Å; F245-L249 HydrophobicContact CZ-CD2 3.87Å; F245-L249 WeakPolarHBondContact O-CB 3.42Å; F245-L249 PolarHBondContact O-N 3.24Å; I246-L249 HydrophobicContact CD1-CD2 4.43Å; L249-L251 PolarHBondContact O-N 3.47Å; L249-F252 PolarHBondContact O-N 3.38Å; L249-T253 WeakPolarHBondContact O-CB 3.33Å; L249-T253 PolarHBondContact O-N 2.77Å; L249-T253 PolarHBondContact O-OG1 3.25Å; L249-T253 VanDerWaalsContact O-OG1 3.11Å; L249-Y269 HydrophobicContact CD2-CD1 4.25Å; L249-Y269 HydrophobicContact CD2-CE1 3.63Å; L249-Y269 HydrophobicContact CG-CE1 4Å; L249-L323 HydrophobicContact CB-CD1 4.13Å; L249-L323 HydrophobicContact CD1-CD1 4.32Å; L249-L323 HydrophobicContact CD1-CD2 4.44Å
250Y92.7Very high90.6Very high15 Ų1541.8 Ų41.86%0.05921%0.208CC..Hα-helixtrans-60.9-43177174.3-113.2000112.1R185 I188 I246 E247 L254 F260 Y269R185-Y250 HydrophobicContact CB-CE1 3.96Å; R185-Y250 HydrophobicContact CG-CE1 4.12Å; R185-Y250 PolarHBondContact N-OH 2.93Å; I188-Y250 HydrophobicContact CG1-CD1 4.18Å; I188-Y250 HydrophobicContact CG1-CE1 4.42Å; I188-Y250 HydrophobicContact CG1-CG 4.27Å; I188-Y250 HydrophobicContact CG2-CD1 4.48Å; I246-Y250 VanDerWaalsContact O-CB 3.25Å; I246-Y250 WeakPolarHBondContact O-CB 3.4Å; I246-Y250 PolarHBondContact O-N 3.36Å; E247-Y250 PolarHBondContact O-N 2.85Å; Y250-L254 HydrophobicContact CE1-CD1 4.47Å; Y250-L254 HydrophobicContact CE2-CD1 4.44Å; Y250-L254 VanDerWaalsContact O-CB 3.24Å; Y250-L254 WeakPolarHBondContact O-CB 3.48Å; Y250-L254 PolarHBondContact O-N 3.46Å; Y250-F260 HydrophobicContact CE2-CE2 4.3Å; Y250-F260 HydrophobicContact CE2-CZ 4.45Å; Y250-Y269 HydrophobicContact CD2-CD2 4.44Å; Y250-Y269 AromaticContact CD2-CE2 4Å; Y250-Y269 HydrophobicContact CD2-CE2 4Å
251L90.2Very high90Very high42 Ų4245.5 Ų45.522%0.2223%0.232CC..Hα-helixtrans-69.7-39.5178.5-166.369.6000112.3E247 G248 L249 L254 L255 I327 L358 F362E247-L251 PolarHBondContact O-N 2.95Å; G248-L251 PolarHBondContact O-N 3.25Å; L249-L251 PolarHBondContact O-N 3.47Å; L251-L254 PolarHBondContact O-N 3.26Å; L251-L255 HydrophobicContact CG-CD1 4.32Å; L251-L255 WeakPolarHBondContact O-CG 3.48Å; L251-L255 PolarHBondContact O-N 3.04Å; L251-L255 VanDerWaalsContact O-N 3.15Å; L251-I327 HydrophobicContact CB-CD1 4.34Å; L251-I327 HydrophobicContact CD2-CD1 4.29Å; L251-I327 HydrophobicContact CD2-CG2 4.39Å; L251-L358 HydrophobicContact CD2-CD2 4.42Å; L251-F362 HydrophobicContact CD2-CZ 3.86Å
252F92Very high89.4Confident58 Ų5848.2 Ų48.225%0.25425%0.246SC..Hα-helixtrans-64.3-49.3176-179.5-100000111.6G248 L249 L254 L255 V256 L323 I327 I330G248-F252 WeakPolarHBondContact O-CB 3.47Å; G248-F252 PolarHBondContact O-N 2.99Å; L249-F252 PolarHBondContact O-N 3.38Å; F252-L254 VanDerWaalsContact C-N 3.29Å; F252-L254 PolarHBondContact O-N 3.04Å; F252-L255 PolarHBondContact O-N 2.71Å; F252-V256 HydrophobicContact CD1-CG2 4.41Å; F252-V256 HydrophobicContact CD2-CG2 4.31Å; F252-V256 HydrophobicContact CE1-CG2 4.03Å; F252-V256 HydrophobicContact CE2-CG2 3.93Å; F252-V256 HydrophobicContact CZ-CG2 3.78Å; F252-V256 PolarHBondContact O-N 3.24Å; F252-V256 VanDerWaalsContact O-N 3.09Å; F252-L323 HydrophobicContact CB-CD2 3.79Å; F252-L323 HydrophobicContact CD1-CD2 3.49Å; F252-L323 VanDerWaalsContact CD1-CD2 3.49Å; F252-L323 HydrophobicContact CD2-CD2 4.14Å; F252-L323 HydrophobicContact CE1-CD2 4.06Å; F252-L323 HydrophobicContact CG-CD2 3.53Å; F252-I327 HydrophobicContact CB-CD1 4.21Å; F252-I327 HydrophobicContact CB-CG1 4.12Å; F252-I327 HydrophobicContact CD2-CG1 4.12Å; F252-I330 HydrophobicContact CD2-CD1 4.48Å; F252-I330 HydrophobicContact CE2-CD1 4.15Å
253T92.1Very high88.9Confident19 Ų1955.2 Ų55.212%0.11727%0.272CS..Hα-helixtrans-56.8-43.3175-62.10000111.1L249 L255 V256 E257 F260 Y269L249-T253 WeakPolarHBondContact O-CB 3.33Å; L249-T253 PolarHBondContact O-N 2.77Å; L249-T253 PolarHBondContact O-OG1 3.25Å; L249-T253 VanDerWaalsContact O-OG1 3.11Å; T253-L255 PolarHBondContact O-N 3.22Å; T253-V256 PolarHBondContact O-N 3.13Å; T253-E257 HydrophobicContact CG2-CB 4.14Å; T253-E257 HydrophobicContact CG2-CG 4.27Å; T253-E257 WeakPolarHBondContact O-CB 3.44Å; T253-E257 PolarHBondContact O-N 3.42Å; T253-F260 HydrophobicContact CG2-CG 4.47Å; T253-Y269 PolarHBondContact OG1-OH 3.24Å
254L90.2Very high88.6Confident59 Ų5963.5 Ų63.531%0.30930%0.303SS..Hα-helixtrans-66.3-18.3177.7-176.3141.8000114.3Y250 L251 F252 F260Y250-L254 HydrophobicContact CE1-CD1 4.47Å; Y250-L254 HydrophobicContact CE2-CD1 4.44Å; Y250-L254 VanDerWaalsContact O-CB 3.24Å; Y250-L254 WeakPolarHBondContact O-CB 3.48Å; Y250-L254 PolarHBondContact O-N 3.46Å; L251-L254 PolarHBondContact O-N 3.26Å; F252-L254 VanDerWaalsContact C-N 3.29Å; F252-L254 PolarHBondContact O-N 3.04Å; L254-F260 HydrophobicContact CB-CE1 4.47Å; L254-F260 HydrophobicContact CB-CZ 4.39Å; L254-F260 HydrophobicContact CD1-CZ 4.18Å; L254-F260 HydrophobicContact CG-CE1 4.49Å; L254-F260 HydrophobicContact CG-CZ 4.47Å
255L88.8Confident88.4Confident50 Ų5068 Ų6826%0.26232%0.321SS..Hα-helixtrans-95-24178.1-76.7172.1000114.3L251 F252 T253 I327 I330 K334L251-L255 HydrophobicContact CG-CD1 4.32Å; L251-L255 WeakPolarHBondContact O-CG 3.48Å; L251-L255 PolarHBondContact O-N 3.04Å; L251-L255 VanDerWaalsContact O-N 3.15Å; F252-L255 PolarHBondContact O-N 2.71Å; T253-L255 PolarHBondContact O-N 3.22Å; L255-I327 HydrophobicContact CD1-CB 4.46Å; L255-I327 HydrophobicContact CD1-CG1 4.2Å; L255-I327 HydrophobicContact CD1-CG2 3.95Å; L255-I330 HydrophobicContact CB-CD1 4.44Å; L255-I330 HydrophobicContact CB-CG2 4.31Å; L255-K334 PolarHBondContact O-NZ 2.94Å
256V90.8Very high88.3Confident68 Ų6868.3 Ų68.341%0.41232%0.322SS..Hα-helixtrans-99.4-51.6-179.5176.80000111.4F252 T253 I330F252-V256 HydrophobicContact CD1-CG2 4.41Å; F252-V256 HydrophobicContact CD2-CG2 4.31Å; F252-V256 HydrophobicContact CE1-CG2 4.03Å; F252-V256 HydrophobicContact CE2-CG2 3.93Å; F252-V256 HydrophobicContact CZ-CG2 3.78Å; F252-V256 PolarHBondContact O-N 3.24Å; F252-V256 VanDerWaalsContact O-N 3.09Å; T253-V256 PolarHBondContact O-N 3.13Å; V256-I330 HydrophobicContact CG2-CD1 3.61Å
257E87.4Confident88.1Confident107 Ų10775 Ų7550%0.535%0.348SS..  trans-92.2107.1-176-67.4-62.9157.500110.7T253 F259 F260T253-E257 HydrophobicContact CG2-CB 4.14Å; T253-E257 HydrophobicContact CG2-CG 4.27Å; T253-E257 WeakPolarHBondContact O-CB 3.44Å; T253-E257 PolarHBondContact O-N 3.42Å; E257-F259 VanDerWaalsContact C-N 3.35Å; E257-F260 HydrophobicContact CB-CB 4.37Å; E257-F260 VanDerWaalsContact O-CD1 3.3Å; E257-F260 WeakPolarHBondContact O-CD1 3.31Å
258T76.8Confident88.1Confident113 Ų11381.6 Ų81.669%0.69337%0.373SS*.THydrogen-bonded Turntrans-79.1-15.9178.950.70000113.8
259F78.9Confident88.3Confident189 Ų18982.1 Ų82.183%0.82938%0.375SS*.THydrogen-bonded Turntrans-127.845.3-171.3-63.7-65.8000113.7E257E257-F259 VanDerWaalsContact C-N 3.35Å
260F77.9Confident88.2Confident32 Ų3281.2 Ų81.214%0.1437%0.371CS..  trans-90.1135.1178.473.1-72.9000112.8Y250 T253 L254 E257 E262 Y265Y250-F260 HydrophobicContact CE2-CE2 4.3Å; Y250-F260 HydrophobicContact CE2-CZ 4.45Å; T253-F260 HydrophobicContact CG2-CG 4.47Å; L254-F260 HydrophobicContact CB-CE1 4.47Å; L254-F260 HydrophobicContact CB-CZ 4.39Å; L254-F260 HydrophobicContact CD1-CZ 4.18Å; L254-F260 HydrophobicContact CG-CE1 4.49Å; L254-F260 HydrophobicContact CG-CZ 4.47Å; E257-F260 HydrophobicContact CB-CB 4.37Å; E257-F260 VanDerWaalsContact O-CD1 3.3Å; E257-F260 WeakPolarHBondContact O-CD1 3.31Å; F260-E262 VanDerWaalsContact C-N 3.34Å; F260-E262 HydrophobicContact CD2-CG 4.32Å; F260-E262 HydrophobicContact CE2-CB 4.13Å; F260-E262 HydrophobicContact CE2-CG 3.67Å; F260-E262 HydrophobicContact CZ-CG 3.78Å; F260-E262 PolarHBondContact O-N 3.11Å; F260-Y265 HydrophobicContact CB-CD2 4.24Å; F260-Y265 HydrophobicContact CB-CE2 4.17Å; F260-Y265 HydrophobicContact CD2-CD2 4.26Å; F260-Y265 HydrophobicContact CD2-CG 4.4Å
261P83.1Confident88.3Confident78 Ų7883.7 Ų83.751%0.50639%0.385SS..  trans-71.983.3174.127.7-36.4000111.8R263 R264 Y265P261-R263 VanDerWaalsContact C-N 3.26Å; P261-R263 PolarHBondContact O-N 2.92Å; P261-R264 HydrophobicContact CB-CB 4.49Å; P261-R264 HydrophobicContact CG-CB 4.47Å; P261-R264 PolarHBondContact O-N 2.97Å; P261-Y265 HydrophobicContact CG-CD2 4.08Å; P261-Y265 HydrophobicContact CG-CE2 3.98Å; P261-Y265 PolarHBondContact O-N 3.33Å
262E83Confident88.5Confident86 Ų8684.3 Ų84.340%0.40239%0.388SS..Hα-helixtrans-38.5-48.8-172.2-65.5-169.2-143.800114.8T184 F260 R264 Y265 F266T184-E262 WeakPolarHBondContact CB-OE2 3.27Å; T184-E262 HydrophobicContact CG2-CB 4.39Å; T184-E262 PolarHBondContact OG1-OE2 2.91Å; F260-E262 VanDerWaalsContact C-N 3.34Å; F260-E262 HydrophobicContact CD2-CG 4.32Å; F260-E262 HydrophobicContact CE2-CB 4.13Å; F260-E262 HydrophobicContact CE2-CG 3.67Å; F260-E262 HydrophobicContact CZ-CG 3.78Å; F260-E262 PolarHBondContact O-N 3.11Å; E262-R264 VanDerWaalsContact C-N 3.33Å; E262-R264 PolarHBondContact O-N 2.9Å; E262-Y265 PolarHBondContact O-N 3.42Å; E262-F266 VanDerWaalsContact O-CB 3.3Å; E262-F266 WeakPolarHBondContact O-CB 3.46Å; E262-F266 PolarHBondContact O-N 3.15Å
263R84.5Confident88.7Confident163 Ų16381.6 Ų81.662%0.61538%0.376SS*.Hα-helixtrans-66.4-32.4-173.8-64.1-62.7-174.7173.5-1.8113.1P261 Y267P261-R263 VanDerWaalsContact C-N 3.26Å; P261-R263 PolarHBondContact O-N 2.92Å; R263-Y267 PolarHBondContact O-N 3.38Å
264R90.1Very high88.9Confident175 Ų17580.9 Ų80.966%0.6637%0.371SS*.Hα-helixtrans-73.2-46175.9-179.3173.3174.5158.3-0.9110.1P261 E262 Y267 W268P261-R264 HydrophobicContact CB-CB 4.49Å; P261-R264 HydrophobicContact CG-CB 4.47Å; P261-R264 PolarHBondContact O-N 2.97Å; E262-R264 VanDerWaalsContact C-N 3.33Å; E262-R264 PolarHBondContact O-N 2.9Å; R264-Y267 PolarHBondContact O-N 3.1Å; R264-W268 VanDerWaalsContact O-CD1 3.29Å; R264-W268 PolarHBondContact O-N 2.99Å
265Y89.9Confident89.1Confident98 Ų9879.3 Ų79.338%0.38437%0.369SS..Hα-helixtrans-62.1-45.9176.8-82.2-89.4000111.8F260 P261 E262 Y267 W268 Y269F260-Y265 HydrophobicContact CB-CD2 4.24Å; F260-Y265 HydrophobicContact CB-CE2 4.17Å; F260-Y265 HydrophobicContact CD2-CD2 4.26Å; F260-Y265 HydrophobicContact CD2-CG 4.4Å; P261-Y265 HydrophobicContact CG-CD2 4.08Å; P261-Y265 HydrophobicContact CG-CE2 3.98Å; P261-Y265 PolarHBondContact O-N 3.33Å; E262-Y265 PolarHBondContact O-N 3.42Å; Y265-Y267 VanDerWaalsContact C-N 3.29Å; Y265-Y267 PolarHBondContact O-N 2.83Å; Y265-W268 PolarHBondContact O-N 3.45Å; Y265-W268 VanDerWaalsContact O-N 3.14Å; Y265-Y269 HydrophobicContact CD1-CE1 4.41Å; Y265-Y269 HydrophobicContact CD1-CE2 4.31Å; Y265-Y269 AromaticContact CD1-CZ 3.88Å; Y265-Y269 WeakPolarHBondContact O-CB 3.45Å; Y265-Y269 VanDerWaalsContact O-CD2 3.24Å; Y265-Y269 WeakPolarHBondContact O-CD2 3.46Å; Y265-Y269 VanDerWaalsContact O-CG 3.23Å; Y265-Y269 PolarHBondContact O-N 3.3Å
266F90.9Very high89.3Confident39 Ų3979.3 Ų79.317%0.17137%0.372CS..Hα-helixtrans-55-39.9175.1175.4-94.7000113.5T184 F187 I188 E262 T270T184-F266 HydrophobicContact CG2-CB 3.88Å; T184-F266 HydrophobicContact CG2-CD2 3.92Å; T184-F266 HydrophobicContact CG2-CG 4.1Å; F187-F266 HydrophobicContact CB-CD2 4.45Å; F187-F266 HydrophobicContact CB-CE2 3.46Å; F187-F266 VanDerWaalsContact CB-CE2 3.46Å; F187-F266 HydrophobicContact CB-CZ 3.61Å; F187-F266 HydrophobicContact CG-CZ 4.4Å; I188-F266 HydrophobicContact CD1-CD2 3.65Å; I188-F266 HydrophobicContact CD1-CE2 3.85Å; I188-F266 HydrophobicContact CG1-CD2 4.06Å; I188-F266 HydrophobicContact CG1-CE2 4.23Å; E262-F266 VanDerWaalsContact O-CB 3.3Å; E262-F266 WeakPolarHBondContact O-CB 3.46Å; E262-F266 PolarHBondContact O-N 3.15Å; F266-T270 WeakPolarHBondContact O-CB 3.29Å; F266-T270 PolarHBondContact O-N 2.96Å; F266-T270 PolarHBondContact O-OG1 2.94Å
267Y91.6Very high89.6Confident141 Ų14176.1 Ų76.155%0.55335%0.352SS*.Hα-helixtrans-63.5-52.3175.1-179.8-94.8000111.1R263 R264 Y265 Y269 T270 I271R263-Y267 PolarHBondContact O-N 3.38Å; R264-Y267 PolarHBondContact O-N 3.1Å; Y265-Y267 VanDerWaalsContact C-N 3.29Å; Y265-Y267 PolarHBondContact O-N 2.83Å; Y267-Y269 PolarHBondContact O-N 2.99Å; Y267-T270 WeakPolarHBondContact O-CB 3.49Å; Y267-T270 PolarHBondContact O-N 3.44Å; Y267-T270 VanDerWaalsContact O-N 3.09Å; Y267-I271 HydrophobicContact CD1-CG1 4.2Å; Y267-I271 HydrophobicContact CE1-CD1 4.34Å; Y267-I271 HydrophobicContact CE1-CG1 3.82Å; Y267-I271 WeakPolarHBondContact O-CG1 3.16Å; Y267-I271 PolarHBondContact O-N 3.03Å
268W93.6Very high89.9Confident142 Ų14271.9 Ų71.954%0.53833%0.334SS..Hα-helixtrans-61.6-41.2178.8-78.6102.5000113.1R264 Y265 T270 I271 I272R264-W268 VanDerWaalsContact O-CD1 3.29Å; R264-W268 PolarHBondContact O-N 2.99Å; Y265-W268 PolarHBondContact O-N 3.45Å; Y265-W268 VanDerWaalsContact O-N 3.14Å; W268-T270 VanDerWaalsContact C-N 3.29Å; W268-T270 PolarHBondContact O-N 3.2Å; W268-I271 PolarHBondContact O-N 2.69Å; W268-I271 VanDerWaalsContact O-N 3.16Å; W268-I272 WeakPolarHBondContact O-CG1 3.46Å; W268-I272 PolarHBondContact O-N 3.16Å
269Y94.9Very high90.8Very high11 Ų1170.8 Ų70.84%0.04333%0.326CS..Hα-helixtrans-61-36.4173.3-65.7-33.3000112.6I246 L249 Y250 T253 Y265 Y267 I272 G273I246-Y269 HydrophobicContact CD1-CD1 3.83Å; I246-Y269 HydrophobicContact CD1-CG 4.29Å; I246-Y269 HydrophobicContact CG2-CG 4.33Å; L249-Y269 HydrophobicContact CD2-CD1 4.25Å; L249-Y269 HydrophobicContact CD2-CE1 3.63Å; L249-Y269 HydrophobicContact CG-CE1 4Å; Y250-Y269 HydrophobicContact CD2-CD2 4.44Å; Y250-Y269 AromaticContact CD2-CE2 4Å; Y250-Y269 HydrophobicContact CD2-CE2 4Å; T253-Y269 PolarHBondContact OG1-OH 3.24Å; Y265-Y269 HydrophobicContact CD1-CE1 4.41Å; Y265-Y269 HydrophobicContact CD1-CE2 4.31Å; Y265-Y269 AromaticContact CD1-CZ 3.88Å; Y265-Y269 WeakPolarHBondContact O-CB 3.45Å; Y265-Y269 VanDerWaalsContact O-CD2 3.24Å; Y265-Y269 WeakPolarHBondContact O-CD2 3.46Å; Y265-Y269 VanDerWaalsContact O-CG 3.23Å; Y265-Y269 PolarHBondContact O-N 3.3Å; Y267-Y269 PolarHBondContact O-N 2.99Å; Y269-I272 PolarHBondContact O-N 3.42Å; Y269-G273 PolarHBondContact O-N 3.49Å
270T93.5Very high91.5Very high20 Ų2062.8 Ų62.812%0.12329%0.294CS..Hα-helixtrans-70.1-34.8174.8-54.50000112.2F266 Y267 W268 W274F266-T270 WeakPolarHBondContact O-CB 3.29Å; F266-T270 PolarHBondContact O-N 2.96Å; F266-T270 PolarHBondContact O-OG1 2.94Å; Y267-T270 WeakPolarHBondContact O-CB 3.49Å; Y267-T270 PolarHBondContact O-N 3.44Å; Y267-T270 VanDerWaalsContact O-N 3.09Å; W268-T270 VanDerWaalsContact C-N 3.29Å; W268-T270 PolarHBondContact O-N 3.2Å; T270-W274 PolarHBondContact O-N 2.91Å
271I94.2Very high92.4Very high68 Ų6861.2 Ų61.235%0.34929%0.287SS..Hα-helixtrans-67.8-42.8173.7-65.1-63000110.9Y267 W268 G275Y267-I271 HydrophobicContact CD1-CG1 4.2Å; Y267-I271 HydrophobicContact CE1-CD1 4.34Å; Y267-I271 HydrophobicContact CE1-CG1 3.82Å; Y267-I271 WeakPolarHBondContact O-CG1 3.16Å; Y267-I271 PolarHBondContact O-N 3.03Å; W268-I271 PolarHBondContact O-N 2.69Å; W268-I271 VanDerWaalsContact O-N 3.16Å; I271-G275 WeakPolarHBondContact O-CA 3.46Å; I271-G275 PolarHBondContact O-N 2.99Å
272I94.4Very high92.9Very high55 Ų5559.3 Ų59.328%0.28227%0.274SS..Hα-helixtrans-67.1-49.5177.8-64.8161.7000110.8F242 I246 W268 Y269 W274 T276 P277F242-I272 HydrophobicContact CD1-CG2 4.36Å; I246-I272 HydrophobicContact CD1-CB 4.13Å; I246-I272 HydrophobicContact CD1-CG2 3.96Å; W268-I272 WeakPolarHBondContact O-CG1 3.46Å; W268-I272 PolarHBondContact O-N 3.16Å; Y269-I272 PolarHBondContact O-N 3.42Å; I272-W274 VanDerWaalsContact C-N 3.27Å; I272-W274 PolarHBondContact O-N 3.49Å; I272-T276 PolarHBondContact O-N 3.38Å; I272-T276 VanDerWaalsContact O-N 3.11Å; I272-T276 PolarHBondContact O-OG1 3.09Å; I272-P277 WeakPolarHBondContact O-CD 3.25Å
273G95.3Very high93.4Very high0 Ų058.3 Ų58.30%027%0.273CS..Hα-helixtrans-64.5-20.3-173.300000116W243 Y269W243-G273 PolarHBondContact NE1-O 3.18Å; Y269-G273 PolarHBondContact O-N 3.49Å
274W96.1Very high93.9Very high4 Ų450.5 Ų50.52%0.01524%0.244CC..Hα-helixtrans-114-34.7172-61.7115.9000112.8V4 V5 V194 L198 W243 T270 I272 T278V4-W274 HydrophobicContact CG1-CB 4.43Å; V5-W274 HydrophobicContact CG2-CZ2 4.41Å; V194-W274 HydrophobicContact CG1-CH2 4.06Å; V194-W274 HydrophobicContact CG1-CZ2 4.19Å; L198-W274 HydrophobicContact CD1-CH2 3.82Å; L198-W274 HydrophobicContact CD1-CZ3 3.85Å; W243-W274 AromaticContact CE2-CE2 3.77Å; W243-W274 AromaticContact CE2-NE1 3.72Å; W243-W274 AromaticContact CZ2-CD1 3.7Å; W243-W274 AromaticContact CZ2-CE2 3.97Å; W243-W274 HydrophobicContact CZ2-CG 4.39Å; W243-W274 AromaticContact CZ2-NE1 3.41Å; W243-W274 AromaticContact NE1-CD1 3.99Å; W243-W274 AromaticContact NE1-CD2 3.38Å; W243-W274 AromaticContact NE1-CE2 3.19Å; W243-W274 AromaticContact NE1-CE3 3.75Å; W243-W274 AromaticContact NE1-CG 3.91Å; W243-W274 AromaticContact NE1-CH2 3.79Å; W243-W274 AromaticContact NE1-CZ2 3.42Å; W243-W274 AromaticContact NE1-CZ3 3.95Å; W243-W274 AromaticContact NE1-NE1 3.59Å; T270-W274 PolarHBondContact O-N 2.91Å; I272-W274 VanDerWaalsContact C-N 3.27Å; I272-W274 PolarHBondContact O-N 3.49Å; W274-T278 PolarHBondContact O-N 3.05Å; W274-T278 PolarHBondContact O-OG1 3.16Å
275G94.7Very high94Very high27 Ų2742.2 Ų42.228%0.27821%0.212SC..Hα-helixtrans-73.6-45.1-175.200000113.7I271 T278 V279I271-G275 WeakPolarHBondContact O-CA 3.46Å; I271-G275 PolarHBondContact O-N 2.99Å; G275-T278 WeakPolarHBondContact O-CB 3.07Å; G275-T278 PolarHBondContact O-N 3.44Å; G275-T278 VanDerWaalsContact O-N 3.11Å; G275-V279 WeakPolarHBondContact O-CG2 3.2Å; G275-V279 PolarHBondContact O-N 3.19Å
276T93.6Very high94.1Very high50 Ų5039.7 Ų39.731%0.30721%0.208SC..Hα-helixtrans-63.1-44.9178.4-54.30000112.2F242 I272 T278 V279 C280F242-T276 HydrophobicContact CD1-CG2 4.32Å; F242-T276 HydrophobicContact CE1-CG2 3.46Å; F242-T276 VanDerWaalsContact CE1-CG2 3.46Å; F242-T276 HydrophobicContact CE2-CG2 4.39Å; F242-T276 HydrophobicContact CZ-CG2 3.5Å; I272-T276 PolarHBondContact O-N 3.38Å; I272-T276 VanDerWaalsContact O-N 3.11Å; I272-T276 PolarHBondContact O-OG1 3.09Å; T276-T278 VanDerWaalsContact C-N 3.3Å; T276-T278 PolarHBondContact O-N 2.83Å; T276-V279 PolarHBondContact O-N 3.27Å; T276-C280 PolarHBondContact O-N 3.2Å; T276-C280 PolarHBondContact O-SG 3.38Å; T276-C280 VanDerWaalsContact O-SG 3.36Å
277P96.3Very high94.2Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-55.3-40.7168.5-26.132.9000114Y235 V238 S239 F242 I272 V281Y235-P277 HydrophobicContact CD2-CB 4.08Å; Y235-P277 HydrophobicContact CE2-CB 4.01Å; V238-P277 HydrophobicContact CB-CB 4.28Å; V238-P277 HydrophobicContact CG1-CB 3.87Å; V238-P277 HydrophobicContact CG1-CG 4.17Å; S239-P277 VanDerWaalsContact OG-CB 3.29Å; S239-P277 WeakPolarHBondContact OG-CB 3.31Å; F242-P277 HydrophobicContact CB-CG 3.84Å; F242-P277 HydrophobicContact CD2-CG 3.98Å; F242-P277 HydrophobicContact CG-CG 3.9Å; I272-P277 WeakPolarHBondContact O-CD 3.25Å; P277-V281 WeakPolarHBondContact O-CB 3.4Å; P277-V281 WeakPolarHBondContact O-CG2 3.44Å; P277-V281 PolarHBondContact O-N 2.9Å; P277-V281 VanDerWaalsContact O-N 3.13Å
278T94.9Very high94Very high19 Ų1933.6 Ų33.612%0.11719%0.186CC..Hα-helixtrans-58.9-51.6176.1-520000109.8S8 Y235 W274 G275 T276 V281 T282S8-T278 PolarHBondContact OG-OG1 3.14Å; Y235-T278 WeakPolarHBondContact CE2-OG1 3.16Å; W274-T278 PolarHBondContact O-N 3.05Å; W274-T278 PolarHBondContact O-OG1 3.16Å; G275-T278 WeakPolarHBondContact O-CB 3.07Å; G275-T278 PolarHBondContact O-N 3.44Å; G275-T278 VanDerWaalsContact O-N 3.11Å; T276-T278 VanDerWaalsContact C-N 3.3Å; T276-T278 PolarHBondContact O-N 2.83Å; T278-V281 PolarHBondContact O-N 2.9Å; T278-T282 HydrophobicContact CG2-CG2 4.45Å; T278-T282 WeakPolarHBondContact O-CG2 3.49Å; T278-T282 PolarHBondContact O-N 3.19Å; T278-T282 PolarHBondContact O-OG1 2.9Å; T278-T282 VanDerWaalsContact O-OG1 3.07Å
279V95.1Very high93.8Very high89 Ų8928.5 Ų28.554%0.53917%0.169SC..Hα-helixtrans-61.4-51.6-178174.50000111.8G275 T276 V281 T282 V283G275-V279 WeakPolarHBondContact O-CG2 3.2Å; G275-V279 PolarHBondContact O-N 3.19Å; T276-V279 PolarHBondContact O-N 3.27Å; V279-V281 VanDerWaalsContact C-N 3.31Å; V279-V281 PolarHBondContact O-N 3.47Å; V279-T282 WeakPolarHBondContact CA-OG1 3.31Å; V279-T282 PolarHBondContact O-N 3.22Å; V279-T282 PolarHBondContact O-OG1 3.31Å; V279-V283 WeakPolarHBondContact O-CG2 3.42Å; V279-V283 PolarHBondContact O-N 3.46Å
280C94.7Very high93.4Very high21 Ų2137.1 Ų37.114%0.14220%0.203CC..Hα-helixtrans-57.8-43.3-178.9-65.60000112T276 V283 W284T276-C280 PolarHBondContact O-N 3.2Å; T276-C280 PolarHBondContact O-SG 3.38Å; T276-C280 VanDerWaalsContact O-SG 3.36Å; C280-V283 PolarHBondContact O-N 3.29Å; C280-W284 PolarHBondContact O-N 3.14Å
281V95.5Very high93Very high0 Ų043.8 Ų43.80%023%0.23CC..Hα-helixtrans-73.9-36.1179.8174.40000112.2L12 V231 H234 V238 P277 T278 V279 V283 W284 A285 I309L12-V281 HydrophobicContact CD2-CG1 4.33Å; V231-V281 HydrophobicContact CG1-CG1 3.92Å; H234-V281 HydrophobicContact CB-CG1 4.41Å; H234-V281 HydrophobicContact CB-CG2 4.13Å; V238-V281 HydrophobicContact CG2-CG2 4.41Å; P277-V281 WeakPolarHBondContact O-CB 3.4Å; P277-V281 WeakPolarHBondContact O-CG2 3.44Å; P277-V281 PolarHBondContact O-N 2.9Å; P277-V281 VanDerWaalsContact O-N 3.13Å; T278-V281 PolarHBondContact O-N 2.9Å; V279-V281 VanDerWaalsContact C-N 3.31Å; V279-V281 PolarHBondContact O-N 3.47Å; V281-V283 VanDerWaalsContact C-N 3.33Å; V281-V283 PolarHBondContact O-N 3.07Å; V281-W284 PolarHBondContact O-N 3.22Å; V281-A285 VanDerWaalsContact O-CB 3.26Å; V281-A285 WeakPolarHBondContact O-CB 3.46Å; V281-A285 PolarHBondContact O-N 3.5Å; V281-I309 HydrophobicContact CG2-CD1 3.76Å
282T93.7Very high92.1Very high38 Ų3841.9 Ų41.923%0.23322%0.221CC..Hα-helixtrans-62.1-40.3171.849.60000112.2L12 L15 T278 V279 T286L12-T282 HydrophobicContact CD2-CG2 3.63Å; L15-T282 HydrophobicContact CD1-CG2 4.46Å; T278-T282 HydrophobicContact CG2-CG2 4.45Å; T278-T282 WeakPolarHBondContact O-CG2 3.49Å; T278-T282 PolarHBondContact O-N 3.19Å; T278-T282 PolarHBondContact O-OG1 2.9Å; T278-T282 VanDerWaalsContact O-OG1 3.07Å; V279-T282 WeakPolarHBondContact CA-OG1 3.31Å; V279-T282 PolarHBondContact O-N 3.22Å; V279-T282 PolarHBondContact O-OG1 3.31Å; T282-T286 WeakPolarHBondContact O-CG2 3.39Å; T282-T286 PolarHBondContact O-N 2.97Å; T282-T286 PolarHBondContact O-OG1 2.99Å; T282-T286 VanDerWaalsContact O-OG1 3.13Å
283V94.4Very high91.4Very high64 Ų6441.3 Ų41.339%0.38822%0.218SC..Hα-helixtrans-66.1-49.9178.1174.50000110.3V279 C280 V281 A285 T286 L287 V308V279-V283 WeakPolarHBondContact O-CG2 3.42Å; V279-V283 PolarHBondContact O-N 3.46Å; C280-V283 PolarHBondContact O-N 3.29Å; V281-V283 VanDerWaalsContact C-N 3.33Å; V281-V283 PolarHBondContact O-N 3.07Å; V283-A285 PolarHBondContact O-N 3.09Å; V283-T286 PolarHBondContact O-N 3.45Å; V283-T286 PolarHBondContact O-OG1 3.08Å; V283-L287 HydrophobicContact CG1-CD1 3.9Å; V283-L287 HydrophobicContact CG1-CG 4.41Å; V283-L287 WeakPolarHBondContact O-CG 3.36Å; V283-L287 PolarHBondContact O-N 3.1Å; V283-V308 HydrophobicContact CB-CG1 4.43Å; V283-V308 HydrophobicContact CG1-CG1 4.09Å
284W94.5Very high90.3Very high0 Ų044.6 Ų44.60%024%0.239CC..Hα-helixtrans-55.4-46.8175.7172.982.4000112.7V231 H234 C280 V281 T286 L287 R288 W297 V308 I309V231-W284 HydrophobicContact CG2-CZ3 4.2Å; H234-W284 AromaticContact CE1-CH2 3.52Å; H234-W284 AromaticContact CE1-CZ2 3.75Å; H234-W284 AromaticContact ND1-CH2 3.42Å; H234-W284 WeakPolarHBondContact ND1-CH2 2.97Å; H234-W284 AromaticContact ND1-CZ3 3.68Å; C280-W284 PolarHBondContact O-N 3.14Å; V281-W284 PolarHBondContact O-N 3.22Å; W284-T286 PolarHBondContact O-N 2.77Å; W284-L287 PolarHBondContact O-N 3.45Å; W284-L287 VanDerWaalsContact O-N 3.13Å; W284-R288 HydrophobicContact CD2-CG 4.44Å; W284-R288 HydrophobicContact CZ2-CG 4.04Å; W284-R288 PolarHBondContact O-N 3.36Å; W284-W297 HydrophobicContact CH2-CB 3.82Å; W284-W297 HydrophobicContact CH2-CD2 4.45Å; W284-W297 AromaticContact CH2-CE3 3.8Å; W284-W297 HydrophobicContact CH2-CE3 3.8Å; W284-W297 HydrophobicContact CZ2-CB 4.15Å; W284-W297 AromaticContact CZ3-CE3 3.78Å; W284-W297 HydrophobicContact CZ3-CE3 3.78Å; W284-W297 HydrophobicContact CZ3-CZ3 4.3Å; W284-V308 HydrophobicContact CB-CB 4.39Å; W284-V308 HydrophobicContact CB-CG1 4.03Å; W284-I309 HydrophobicContact CB-CD1 3.63Å; W284-I309 HydrophobicContact CB-CG1 3.83Å; W284-I309 HydrophobicContact CD2-CD1 4.34Å; W284-I309 HydrophobicContact CD2-CG1 4.03Å; W284-I309 HydrophobicContact CG-CD1 3.86Å; W284-I309 HydrophobicContact CG-CG1 3.55Å
285A92.5Very high89.1Confident0 Ų045.3 Ų45.30%025%0.247CC..Hα-helixtrans-62.9-41.2178.900000112.3V231 V281 V283 L287 R288 L289 W297V231-A285 HydrophobicContact CG2-CB 3.96Å; V281-A285 VanDerWaalsContact O-CB 3.26Å; V281-A285 WeakPolarHBondContact O-CB 3.46Å; V281-A285 PolarHBondContact O-N 3.5Å; V283-A285 PolarHBondContact O-N 3.09Å; A285-L287 VanDerWaalsContact C-N 3.33Å; A285-L287 PolarHBondContact O-N 3.13Å; A285-R288 PolarHBondContact O-N 3.5Å; A285-L289 WeakPolarHBondContact O-CG 3.1Å; A285-L289 PolarHBondContact O-N 2.84Å; A285-W297 HydrophobicContact CB-CH2 4.38Å; A285-W297 HydrophobicContact CB-CZ3 3.89Å
286T92.2Very high88.3Confident46 Ų4644.1 Ų44.128%0.28223%0.234SC..Hα-helixtrans-66.1-34.4173.5540000112.7L15 T282 V283 W284 L289 Y290L15-T286 HydrophobicContact CD2-CG2 4.27Å; T282-T286 WeakPolarHBondContact O-CG2 3.39Å; T282-T286 PolarHBondContact O-N 2.97Å; T282-T286 PolarHBondContact O-OG1 2.99Å; T282-T286 VanDerWaalsContact O-OG1 3.13Å; V283-T286 PolarHBondContact O-N 3.45Å; V283-T286 PolarHBondContact O-OG1 3.08Å; W284-T286 PolarHBondContact O-N 2.77Å; T286-L289 PolarHBondContact O-N 3.3Å; T286-Y290 WeakPolarHBondContact O-CD2 3.41Å; T286-Y290 PolarHBondContact O-N 3.11Å; T286-Y290 VanDerWaalsContact O-N 3.11Å
287L91.7Very high87.7Confident49 Ų4941.7 Ų41.726%0.25722%0.22SC..Hα-helixtrans-69.2-41.5176.5-69.1170000111.9V283 W284 A285 Y290 F291 L305 V308V283-L287 HydrophobicContact CG1-CD1 3.9Å; V283-L287 HydrophobicContact CG1-CG 4.41Å; V283-L287 WeakPolarHBondContact O-CG 3.36Å; V283-L287 PolarHBondContact O-N 3.1Å; W284-L287 PolarHBondContact O-N 3.45Å; W284-L287 VanDerWaalsContact O-N 3.13Å; A285-L287 VanDerWaalsContact C-N 3.33Å; A285-L287 PolarHBondContact O-N 3.13Å; L287-Y290 PolarHBondContact O-N 2.99Å; L287-F291 HydrophobicContact CD2-CD2 3.95Å; L287-F291 HydrophobicContact CD2-CE2 3.76Å; L287-F291 WeakPolarHBondContact O-CB 3.48Å; L287-F291 WeakPolarHBondContact O-CD2 3.37Å; L287-F291 PolarHBondContact O-N 3.41Å; L287-L305 HydrophobicContact CB-CD2 4.04Å; L287-L305 HydrophobicContact CB-CG 4.17Å; L287-V308 HydrophobicContact CD1-CG2 3.89Å
288R88.9Confident86.7Confident2 Ų244.8 Ų44.81%0.00824%0.236CC..Hα-helixtrans-59-50.1170.6-71.5-64.7-63.7-149.3-3.2110.9W284 A285 Y290 F291 D292 D293 T294 W297 M299 L305W284-R288 HydrophobicContact CD2-CG 4.44Å; W284-R288 HydrophobicContact CZ2-CG 4.04Å; W284-R288 PolarHBondContact O-N 3.36Å; A285-R288 PolarHBondContact O-N 3.5Å; R288-Y290 PolarHBondContact O-N 2.73Å; R288-Y290 VanDerWaalsContact O-N 3.15Å; R288-F291 PolarHBondContact O-N 2.88Å; R288-D292 VanDerWaalsContact CZ-CG 3.48Å; R288-D292 IonicContact CZ-OD1 3.86Å; R288-D292 IonicContact CZ-OD2 2.72Å; R288-D292 PolarHBondContact NE-O 3.4Å; R288-D292 IonicContact NE-OD2 3.2Å; R288-D292 IonicContact NH1-OD2 3.9Å; R288-D292 PolarHBondContact NH1-OD2 2.88Å; R288-D292 PolarHBondContact NH2-O 3.37Å; R288-D292 IonicContact NH2-OD1 2.7Å; R288-D292 IonicContact NH2-OD2 3.35Å; R288-D292 CarbonylContact O-C 3.58Å; R288-D292 PolarHBondContact O-N 2.91Å; R288-D293 PolarHBondContact O-N 3.46Å; R288-D293 VanDerWaalsContact O-N 3.16Å; R288-T294 PolarHBondContact NH2-O 3.46Å; R288-T294 PolarHBondContact NH2-OG1 3.45Å; R288-W297 HydrophobicContact CB-CD2 3.79Å; R288-W297 HydrophobicContact CB-CE3 4.18Å; R288-W297 HydrophobicContact CB-CG 4.18Å; R288-W297 HydrophobicContact CB-CH2 4.36Å; R288-W297 HydrophobicContact CB-CZ2 3.98Å; R288-W297 HydrophobicContact CB-CZ3 4.44Å; R288-W297 HydrophobicContact CG-CD2 4.14Å; R288-W297 HydrophobicContact CG-CE3 4.44Å; R288-W297 HydrophobicContact CG-CG 4.19Å; R288-M299 PolarHBondContact NH1-O 2.97Å; R288-M299 PolarHBondContact NH2-O 2.82Å; R288-L305 HydrophobicContact CG-CD2 4.09Å
289L88Confident85.5Confident36 Ų3648.3 Ų48.319%0.18825%0.253CS..Hα-helixtrans-55.9-32.5178.4-76.4167.2000114.8M17 A285 T286 W297M17-L289 HydrophobicContact CB-CD2 4.04Å; M17-L289 HydrophobicContact CG-CD1 4.15Å; M17-L289 HydrophobicContact CG-CD2 4.42Å; M17-L289 HydrophobicContact SD-CD1 4.08Å; A285-L289 WeakPolarHBondContact O-CG 3.1Å; A285-L289 PolarHBondContact O-N 2.84Å; T286-L289 PolarHBondContact O-N 3.3Å; L289-W297 HydrophobicContact CD1-CH2 4.25Å; L289-W297 HydrophobicContact CD2-CH2 3.96Å; L289-W297 HydrophobicContact CD2-CZ2 3.69Å; L289-W297 HydrophobicContact CG-CH2 3.65Å; L289-W297 HydrophobicContact CG-CZ2 3.69Å
290Y87.5Confident84.4Confident192 Ų19245.8 Ų45.875%0.75324%0.236SC*.Hα-helixtrans-96.8-26.4-176.6-75.4-56.8000115T286 L287 R288T286-Y290 WeakPolarHBondContact O-CD2 3.41Å; T286-Y290 PolarHBondContact O-N 3.11Å; T286-Y290 VanDerWaalsContact O-N 3.11Å; L287-Y290 PolarHBondContact O-N 2.99Å; R288-Y290 PolarHBondContact O-N 2.73Å; R288-Y290 VanDerWaalsContact O-N 3.15Å
291F84.3Confident83.1Confident160 Ų16050 Ų5070%0.70226%0.257SS*.Hα-helixtrans-120.6-26.1-172.4-64.9-78.9000114.5L287 R288L287-F291 HydrophobicContact CD2-CD2 3.95Å; L287-F291 HydrophobicContact CD2-CE2 3.76Å; L287-F291 WeakPolarHBondContact O-CB 3.48Å; L287-F291 WeakPolarHBondContact O-CD2 3.37Å; L287-F291 PolarHBondContact O-N 3.41Å; R288-F291 PolarHBondContact O-N 2.88Å
292D76.8Confident82.3Confident28 Ų2852.1 Ų52.115%0.1527%0.272CS..  trans-156.968.5-169.8-179.814.2000110.8R288 T294 L305R288-D292 VanDerWaalsContact CZ-CG 3.48Å; R288-D292 IonicContact CZ-OD1 3.86Å; R288-D292 IonicContact CZ-OD2 2.72Å; R288-D292 PolarHBondContact NE-O 3.4Å; R288-D292 IonicContact NE-OD2 3.2Å; R288-D292 IonicContact NH1-OD2 3.9Å; R288-D292 PolarHBondContact NH1-OD2 2.88Å; R288-D292 PolarHBondContact NH2-O 3.37Å; R288-D292 IonicContact NH2-OD1 2.7Å; R288-D292 IonicContact NH2-OD2 3.35Å; R288-D292 CarbonylContact O-C 3.58Å; R288-D292 PolarHBondContact O-N 2.91Å; D292-T294 PolarHBondContact O-N 3.06Å; D292-T294 VanDerWaalsContact O-N 3.14Å; D292-T294 VanDerWaalsContact OD1-CG2 3.29Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.43Å; D292-T294 PolarHBondContact OD1-OG1 3.04Å; D292-L305 HydrophobicContact CB-CD2 4.38Å
293D79.2Confident81.7Confident43 Ų4354.6 Ų54.623%0.2329%0.287CS..  trans-88.139.3-176.2-163.231.4000113.3K227 R288 W297K227-D293 WeakPolarHBondContact CE-OD1 3.3Å; K227-D293 IonicContact NZ-OD1 2.68Å; K227-D293 PolarHBondContact NZ-OD1 2.87Å; K227-D293 IonicContact NZ-OD2 2.77Å; K227-D293 PolarHBondContact NZ-OD2 3.13Å; R288-D293 PolarHBondContact O-N 3.46Å; R288-D293 VanDerWaalsContact O-N 3.16Å; D293-W297 VanDerWaalsContact OD1-CE2 3.32Å; D293-W297 VanDerWaalsContact OD1-CZ2 3.28Å; D293-W297 WeakPolarHBondContact OD1-CZ2 3.42Å; D293-W297 PolarHBondContact OD1-NE1 3.41Å
294T71.4Confident81.4Confident69 Ų6955 Ų5542%0.42330%0.297SS..  trans-82.8140.9-17653.40000113R288 D292 C296 W297R288-T294 PolarHBondContact NH2-O 3.46Å; R288-T294 PolarHBondContact NH2-OG1 3.45Å; D292-T294 PolarHBondContact O-N 3.06Å; D292-T294 VanDerWaalsContact O-N 3.14Å; D292-T294 VanDerWaalsContact OD1-CG2 3.29Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.43Å; D292-T294 PolarHBondContact OD1-OG1 3.04Å; T294-C296 PolarHBondContact O-N 3.49Å; T294-W297 PolarHBondContact O-N 3.19Å
295G71.6Confident81Confident19 Ų1956 Ų5620%0.19630%0.302CS..THydrogen-bonded Turntrans57.5-131.3170.900000114.7S222 K227S222-G295 WeakPolarHBondContact CB-O 3.43Å; S222-G295 WeakPolarHBondContact OG-CA 3.44Å; S222-G295 PolarHBondContact OG-O 3.38Å; K227-G295 WeakPolarHBondContact CE-O 3.24Å
296C76.5Confident80.8Confident1 Ų159 Ų591%0.00731%0.314CS..THydrogen-bonded Turntrans-106.8-0.1176.7-179.60000112.9I221 C226 M230 T294 D298I221-C296 HydrophobicContact CG2-CB 4.27Å; C226-C296 HydrophobicContact CB-CB 4.08Å; C226-C296 WeakPolarHBondContact CB-SG 3.45Å; C226-C296 PolarHBondContact O-SG 3.46Å; C226-C296 VanDerWaalsContact O-SG 3.39Å; C226-C296 WeakPolarHBondContact SG-CB 3.39Å; C226-C296 CovalentContact SG-SG 2.03Å; C226-C296 PolarHBondContact SG-SG 2.8Å; M230-C296 WeakPolarHBondContact CB-O 3.36Å; M230-C296 VanDerWaalsContact CG-O 3.29Å; M230-C296 WeakPolarHBondContact CG-O 3.32Å; M230-C296 WeakPolarHBondContact CG-SG 3.4Å; T294-C296 PolarHBondContact O-N 3.49Å; C296-D298 VanDerWaalsContact C-N 3.35Å
297W82.6Confident80.8Confident0 Ų063.2 Ų63.20%033%0.325CS..SBendtrans65.332.7-167.7-41-22.3000114.3M17 K227 V231 W284 A285 R288 L289 D293 T294M17-W297 HydrophobicContact CE-CH2 4.02Å; M17-W297 HydrophobicContact CE-CZ3 4.2Å; M17-W297 HydrophobicContact SD-CH2 3.55Å; M17-W297 VanDerWaalsContact SD-CH2 3.55Å; M17-W297 HydrophobicContact SD-CZ3 4.04Å; K227-W297 HydrophobicContact CD-CZ2 3.97Å; K227-W297 HydrophobicContact CG-CD2 4.45Å; V231-W297 HydrophobicContact CG2-CE3 4.01Å; V231-W297 HydrophobicContact CG2-CZ3 3.49Å; V231-W297 VanDerWaalsContact CG2-CZ3 3.49Å; W284-W297 HydrophobicContact CH2-CB 3.82Å; W284-W297 HydrophobicContact CH2-CD2 4.45Å; W284-W297 AromaticContact CH2-CE3 3.8Å; W284-W297 HydrophobicContact CH2-CE3 3.8Å; W284-W297 HydrophobicContact CZ2-CB 4.15Å; W284-W297 AromaticContact CZ3-CE3 3.78Å; W284-W297 HydrophobicContact CZ3-CE3 3.78Å; W284-W297 HydrophobicContact CZ3-CZ3 4.3Å; A285-W297 HydrophobicContact CB-CH2 4.38Å; A285-W297 HydrophobicContact CB-CZ3 3.89Å; R288-W297 HydrophobicContact CB-CD2 3.79Å; R288-W297 HydrophobicContact CB-CE3 4.18Å; R288-W297 HydrophobicContact CB-CG 4.18Å; R288-W297 HydrophobicContact CB-CH2 4.36Å; R288-W297 HydrophobicContact CB-CZ2 3.98Å; R288-W297 HydrophobicContact CB-CZ3 4.44Å; R288-W297 HydrophobicContact CG-CD2 4.14Å; R288-W297 HydrophobicContact CG-CE3 4.44Å; R288-W297 HydrophobicContact CG-CG 4.19Å; L289-W297 HydrophobicContact CD1-CH2 4.25Å; L289-W297 HydrophobicContact CD2-CH2 3.96Å; L289-W297 HydrophobicContact CD2-CZ2 3.69Å; L289-W297 HydrophobicContact CG-CH2 3.65Å; L289-W297 HydrophobicContact CG-CZ2 3.69Å; D293-W297 VanDerWaalsContact OD1-CE2 3.32Å; D293-W297 VanDerWaalsContact OD1-CZ2 3.28Å; D293-W297 WeakPolarHBondContact OD1-CZ2 3.42Å; D293-W297 PolarHBondContact OD1-NE1 3.41Å; T294-W297 PolarHBondContact O-N 3.19Å
298D74.7Confident80.8Confident64 Ų6462.8 Ų62.834%0.34232%0.324SS..  trans-80.2-45.2162.851.5-20.3000111.8M230 C296 N300M230-D298 HydrophobicContact CE-CB 4.18Å; C296-D298 VanDerWaalsContact C-N 3.35Å; D298-N300 PolarHBondContact O-ND2 3.18Å
299M69.1Low81Confident94 Ų9463 Ų6346%0.46333%0.325SS..  trans-76.5132.5173.2-58.9-58.8-77.800111.6I83 R288I83-M299 HydrophobicContact CG2-CE 4.41Å; R288-M299 PolarHBondContact NH1-O 2.97Å; R288-M299 PolarHBondContact NH2-O 2.82Å
300N73Confident81.1Confident36 Ų3663.1 Ų63.119%0.19332%0.324CS..  trans-123.441.7-168.7-82.3-89.8000111.9D298 S302 W306D298-N300 PolarHBondContact O-ND2 3.18Å; N300-S302 VanDerWaalsContact C-N 3.27Å; N300-S302 CarbonylContact O-C 3.59Å; N300-S302 PolarHBondContact O-N 3.37Å; N300-W306 HydrophobicContact CB-CB 4.46Å; N300-W306 HydrophobicContact CB-CD2 4.36Å; N300-W306 HydrophobicContact CB-CE3 4.27Å; N300-W306 HydrophobicContact CB-CG 4.46Å
301D67.2Low81.4Confident108 Ų10855.1 Ų55.158%0.57830%0.3SS*.  trans-58.9-38.3-169.4-39.8-39.7000111.9T303D301-T303 PolarHBondContact O-N 3.11Å
302S78.3Confident81.9Confident45 Ų4549.4 Ų49.432%0.31528%0.279SS..  trans-72.991.5168.8-167.10000111.9N300 A304 L305 W306N300-S302 VanDerWaalsContact C-N 3.27Å; N300-S302 CarbonylContact O-C 3.59Å; N300-S302 PolarHBondContact O-N 3.37Å; S302-A304 PolarHBondContact O-N 2.72Å; S302-L305 PolarHBondContact O-N 3.11Å; S302-L305 WeakPolarHBondContact OG-CD1 3.15Å; S302-W306 PolarHBondContact O-N 2.7Å; S302-W306 VanDerWaalsContact O-N 3.14Å
303T81.8Confident82.7Confident91 Ų9149 Ų4956%0.55828%0.277SS*.Hα-helixtrans-48.1-34.2172.9-73.30000112.9D301 W306 W307D301-T303 PolarHBondContact O-N 3.11Å; T303-W306 PolarHBondContact O-N 2.87Å; T303-W307 VanDerWaalsContact O-CD1 3.25Å; T303-W307 PolarHBondContact O-N 3.25Å; T303-W307 VanDerWaalsContact O-N 3.12Å
304A86.6Confident83.2Confident72 Ų7248 Ų4860%0.59527%0.273SS*.Hα-helixtrans-63.4-41.1177.600000112.9S302S302-A304 PolarHBondContact O-N 2.72Å
305L87.2Confident84.3Confident20 Ų2046.4 Ų46.411%0.10527%0.27CS..Hα-helixtrans-72.9-37.8175.7-84.471.1000110.8L287 R288 D292 S302 W307 V308L287-L305 HydrophobicContact CB-CD2 4.04Å; L287-L305 HydrophobicContact CB-CG 4.17Å; R288-L305 HydrophobicContact CG-CD2 4.09Å; D292-L305 HydrophobicContact CB-CD2 4.38Å; S302-L305 PolarHBondContact O-N 3.11Å; S302-L305 WeakPolarHBondContact OG-CD1 3.15Å; L305-W307 VanDerWaalsContact C-N 3.29Å; L305-W307 PolarHBondContact O-N 3.46Å; L305-V308 VanDerWaalsContact O-CB 3.28Å; L305-V308 WeakPolarHBondContact O-CB 3.49Å; L305-V308 WeakPolarHBondContact O-CG2 3.4Å; L305-V308 PolarHBondContact O-N 2.8Å
306W88.7Confident85.4Confident65 Ų6546 Ų4625%0.24626%0.264CS..Hα-helixtrans-58.5-38.6177.1-175.7-138.5000112.7H234 N300 S302 T303 V308 I309 K310 E374H234-W306 AromaticContact NE2-CZ3 3.81Å; N300-W306 HydrophobicContact CB-CB 4.46Å; N300-W306 HydrophobicContact CB-CD2 4.36Å; N300-W306 HydrophobicContact CB-CE3 4.27Å; N300-W306 HydrophobicContact CB-CG 4.46Å; S302-W306 PolarHBondContact O-N 2.7Å; S302-W306 VanDerWaalsContact O-N 3.14Å; T303-W306 PolarHBondContact O-N 2.87Å; W306-V308 PolarHBondContact O-N 3.22Å; W306-I309 HydrophobicContact CZ3-CG2 4.48Å; W306-I309 PolarHBondContact O-N 3.28Å; W306-I309 VanDerWaalsContact O-N 3.1Å; W306-K310 WeakPolarHBondContact O-CB 3.3Å; W306-K310 PolarHBondContact O-N 2.9Å; W306-E374 PolarHBondContact NE1-OE2 3.15Å
307W91.2Very high86.1Confident134 Ų13446.7 Ų46.751%0.50827%0.268SS..Hα-helixtrans-61.7-21.2175.9-87.9108.2000114.8T303 L305 I309 K310 G311T303-W307 VanDerWaalsContact O-CD1 3.25Å; T303-W307 PolarHBondContact O-N 3.25Å; T303-W307 VanDerWaalsContact O-N 3.12Å; L305-W307 VanDerWaalsContact C-N 3.29Å; L305-W307 PolarHBondContact O-N 3.46Å; W307-I309 VanDerWaalsContact C-N 3.25Å; W307-I309 PolarHBondContact O-N 3.1Å; W307-K310 HydrophobicContact CE3-CB 4.49Å; W307-K310 HydrophobicContact CE3-CG 4.36Å; W307-K310 HydrophobicContact CZ3-CG 4.36Å; W307-G311 WeakPolarHBondContact O-CA 3.34Å; W307-G311 PolarHBondContact O-N 2.94Å
308V92.9Very high86.5Confident39 Ų3948.9 Ų48.924%0.23628%0.278CS..Hα-helixtrans-64.7-31.1174.7-176.30000111.7V283 W284 L287 L305 W306 P312V283-V308 HydrophobicContact CB-CG1 4.43Å; V283-V308 HydrophobicContact CG1-CG1 4.09Å; W284-V308 HydrophobicContact CB-CB 4.39Å; W284-V308 HydrophobicContact CB-CG1 4.03Å; L287-V308 HydrophobicContact CD1-CG2 3.89Å; L305-V308 VanDerWaalsContact O-CB 3.28Å; L305-V308 WeakPolarHBondContact O-CB 3.49Å; L305-V308 WeakPolarHBondContact O-CG2 3.4Å; L305-V308 PolarHBondContact O-N 2.8Å; W306-V308 PolarHBondContact O-N 3.22Å; V308-P312 VanDerWaalsContact O-CD 3.3Å; V308-P312 WeakPolarHBondContact O-CD 3.41Å; V308-P312 WeakPolarHBondContact O-CG 3.14Å
309I92.6Very high87.4Confident8 Ų849.2 Ų49.24%0.04128%0.283CS..Hα-helixtrans-94.3-48.7174.6-63-58.7000111.1V238 V281 W284 W306 W307 G311 P312 V313V238-I309 HydrophobicContact CG2-CG2 3.78Å; V281-I309 HydrophobicContact CG2-CD1 3.76Å; W284-I309 HydrophobicContact CB-CD1 3.63Å; W284-I309 HydrophobicContact CB-CG1 3.83Å; W284-I309 HydrophobicContact CD2-CD1 4.34Å; W284-I309 HydrophobicContact CD2-CG1 4.03Å; W284-I309 HydrophobicContact CG-CD1 3.86Å; W284-I309 HydrophobicContact CG-CG1 3.55Å; W306-I309 HydrophobicContact CZ3-CG2 4.48Å; W306-I309 PolarHBondContact O-N 3.28Å; W306-I309 VanDerWaalsContact O-N 3.1Å; W307-I309 VanDerWaalsContact C-N 3.25Å; W307-I309 PolarHBondContact O-N 3.1Å; I309-G311 PolarHBondContact O-N 2.97Å; I309-P312 WeakPolarHBondContact O-CD 3.49Å; I309-V313 WeakPolarHBondContact O-CG2 3.2Å; I309-V313 PolarHBondContact O-N 2.87Å
310K90.6Very high88.5Confident38 Ų3845 Ų4517%0.16526%0.262CS..Hα-helixtrans-65.3-38.7-175.2178.4173171.9175.30112.8W306 W307 V313 V314 E374W306-K310 WeakPolarHBondContact O-CB 3.3Å; W306-K310 PolarHBondContact O-N 2.9Å; W307-K310 HydrophobicContact CE3-CB 4.49Å; W307-K310 HydrophobicContact CE3-CG 4.36Å; W307-K310 HydrophobicContact CZ3-CG 4.36Å; K310-V313 PolarHBondContact O-N 2.88Å; K310-V314 HydrophobicContact CG-CG2 4.05Å; K310-V314 WeakPolarHBondContact O-CG2 3.4Å; K310-V314 PolarHBondContact O-N 3.03Å; K310-E374 WeakPolarHBondContact CE-OE1 3.03Å; K310-E374 IonicContact NZ-OE1 3.98Å; K310-E374 PolarHBondContact NZ-OE1 3.3Å; K310-E374 IonicContact NZ-OE2 2.69Å; K310-E374 PolarHBondContact NZ-OE2 3.23Å
311G92.3Very high89.3Confident24 Ų2447 Ų4725%0.24727%0.269CS..Hα-helixtrans-58.4-56.6-179.900000113.4W307 I309 V313 V314 G315W307-G311 WeakPolarHBondContact O-CA 3.34Å; W307-G311 PolarHBondContact O-N 2.94Å; I309-G311 PolarHBondContact O-N 2.97Å; G311-V313 VanDerWaalsContact C-N 3.29Å; G311-V313 PolarHBondContact O-N 3.46Å; G311-V314 PolarHBondContact O-N 3.37Å; G311-G315 PolarHBondContact O-N 3.5Å
312P95Very high90.5Very high40 Ų4046.9 Ų46.926%0.2627%0.272SS..Hα-helixtrans-56.7-38174.4-28.636.2000114F242 V308 I309 S316F242-P312 HydrophobicContact CE2-CB 4.13Å; F242-P312 HydrophobicContact CZ-CB 4.22Å; V308-P312 VanDerWaalsContact O-CD 3.3Å; V308-P312 WeakPolarHBondContact O-CD 3.41Å; V308-P312 WeakPolarHBondContact O-CG 3.14Å; I309-P312 WeakPolarHBondContact O-CD 3.49Å; P312-S316 WeakPolarHBondContact O-CB 3.45Å; P312-S316 PolarHBondContact O-N 3.11Å
313V93.5Very high91.2Very high18 Ų1845.5 Ų45.511%0.10926%0.261CS..Hα-helixtrans-65.6-54.9177.1169.80000111.1V238 Y241 I309 K310 G311 G315 S316 I317V238-V313 HydrophobicContact CG1-CG2 4.37Å; V238-V313 HydrophobicContact CG2-CG2 3.95Å; Y241-V313 HydrophobicContact CD1-CG1 4.09Å; Y241-V313 HydrophobicContact CD2-CB 4.48Å; Y241-V313 HydrophobicContact CD2-CG1 3.6Å; Y241-V313 HydrophobicContact CD2-CG2 4.03Å; Y241-V313 HydrophobicContact CE1-CG1 4.24Å; Y241-V313 HydrophobicContact CE2-CG1 3.75Å; Y241-V313 HydrophobicContact CG-CG1 3.78Å; Y241-V313 HydrophobicContact CG-CG2 4.48Å; I309-V313 WeakPolarHBondContact O-CG2 3.2Å; I309-V313 PolarHBondContact O-N 2.87Å; K310-V313 PolarHBondContact O-N 2.88Å; G311-V313 VanDerWaalsContact C-N 3.29Å; G311-V313 PolarHBondContact O-N 3.46Å; V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 3.43Å; V313-S316 PolarHBondContact O-N 3.01Å; V313-S316 VanDerWaalsContact O-N 3.11Å; V313-S316 PolarHBondContact O-OG 3.25Å; V313-I317 HydrophobicContact CG1-CD1 3.81Å; V313-I317 WeakPolarHBondContact O-CG1 3.41Å; V313-I317 PolarHBondContact O-N 2.96Å
314V91.5Very high91.6Very high23 Ų2342 Ų4214%0.13924%0.238CC..Hα-helixtrans-60-41.2178.7173.50000111.2K310 G311 S316 I317 M318K310-V314 HydrophobicContact CG-CG2 4.05Å; K310-V314 WeakPolarHBondContact O-CG2 3.4Å; K310-V314 PolarHBondContact O-N 3.03Å; G311-V314 PolarHBondContact O-N 3.37Å; V314-S316 PolarHBondContact O-N 3.49Å; V314-I317 PolarHBondContact O-N 2.84Å; V314-M318 HydrophobicContact CG1-CG 4.44Å; V314-M318 WeakPolarHBondContact O-CG 3.34Å; V314-M318 PolarHBondContact O-N 3.34Å
315G93.4Very high91.7Very high36 Ų3642.3 Ų42.337%0.37123%0.229SC..Hα-helixtrans-58.7-44.7173.900000112.8G311 V313 I317 M318 V319G311-G315 PolarHBondContact O-N 3.5Å; V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 3.43Å; G315-I317 PolarHBondContact O-N 2.94Å; G315-M318 PolarHBondContact O-N 3.18Å; G315-V319 WeakPolarHBondContact O-CG2 3.41Å; G315-V319 PolarHBondContact O-N 3.48Å
316S94.3Very high92Very high9 Ų942.3 Ų42.36%0.06323%0.234CC..Hα-helixtrans-63.2-39.9176.877.20000112.4P312 V313 V314 N320P312-S316 WeakPolarHBondContact O-CB 3.45Å; P312-S316 PolarHBondContact O-N 3.11Å; V313-S316 PolarHBondContact O-N 3.01Å; V313-S316 VanDerWaalsContact O-N 3.11Å; V313-S316 PolarHBondContact O-OG 3.25Å; V314-S316 PolarHBondContact O-N 3.49Å; S316-N320 WeakPolarHBondContact O-CB 3.3Å; S316-N320 PolarHBondContact O-N 2.95Å
317I91.7Very high92Very high17 Ų1739.4 Ų39.49%0.08722%0.223CC..Hα-helixtrans-65.1-44177.2-65.8162.6000110.6Y241 V313 V314 G315 N320 F321 T367Y241-I317 HydrophobicContact CD1-CD1 4Å; Y241-I317 HydrophobicContact CD1-CG1 4.05Å; Y241-I317 HydrophobicContact CE1-CD1 3.81Å; Y241-I317 HydrophobicContact CE1-CG1 4.27Å; V313-I317 HydrophobicContact CG1-CD1 3.81Å; V313-I317 WeakPolarHBondContact O-CG1 3.41Å; V313-I317 PolarHBondContact O-N 2.96Å; V314-I317 PolarHBondContact O-N 2.84Å; G315-I317 PolarHBondContact O-N 2.94Å; I317-N320 PolarHBondContact O-N 3.39Å; I317-F321 PolarHBondContact O-N 3.05Å; I317-T367 HydrophobicContact CG2-CG2 3.64Å
318M91.6Very high91.8Very high45 Ų4534.6 Ų34.622%0.22221%0.207CC..Hα-helixtrans-64.8-43.4178.9-73.9-58.8122.700112.9V314 G315 N320 F321 V322 A370 F371V314-M318 HydrophobicContact CG1-CG 4.44Å; V314-M318 WeakPolarHBondContact O-CG 3.34Å; V314-M318 PolarHBondContact O-N 3.34Å; G315-M318 PolarHBondContact O-N 3.18Å; M318-N320 VanDerWaalsContact C-N 3.32Å; M318-N320 PolarHBondContact O-N 2.91Å; M318-F321 PolarHBondContact O-N 3.1Å; M318-V322 PolarHBondContact O-N 3.45Å; M318-A370 HydrophobicContact CE-CB 3.7Å; M318-F371 HydrophobicContact CE-CD2 4.15Å; M318-F371 HydrophobicContact CE-CE2 3.46Å; M318-F371 VanDerWaalsContact CE-CE2 3.46Å; M318-F371 HydrophobicContact CE-CZ 3.88Å; M318-F371 HydrophobicContact CG-CZ 4.02Å; M318-F371 HydrophobicContact SD-CE2 3.38Å; M318-F371 WeakPolarHBondContact SD-CE2 3.07Å; M318-F371 HydrophobicContact SD-CZ 3.42Å; M318-F371 WeakPolarHBondContact SD-CZ 3.43Å
319V93.3Very high91.6Very high72 Ų7236.2 Ų36.244%0.43622%0.216SC..Hα-helixtrans-64.5-39.7174.3179.80000110.4F245 G315 F321 V322 L323F245-V319 HydrophobicContact CD2-CB 4.45Å; F245-V319 HydrophobicContact CD2-CG1 4.26Å; F245-V319 HydrophobicContact CE2-CB 4.2Å; F245-V319 HydrophobicContact CE2-CG1 3.65Å; G315-V319 WeakPolarHBondContact O-CG2 3.41Å; G315-V319 PolarHBondContact O-N 3.48Å; V319-F321 VanDerWaalsContact C-N 3.3Å; V319-F321 PolarHBondContact O-N 3.38Å; V319-V322 PolarHBondContact O-N 3.36Å; V319-L323 HydrophobicContact CG1-CD1 3.96Å; V319-L323 HydrophobicContact CG1-CG 4.25Å; V319-L323 VanDerWaalsContact O-CG 3.27Å; V319-L323 WeakPolarHBondContact O-CG 3.1Å; V319-L323 PolarHBondContact O-N 3.23Å
320N91.5Very high91.4Very high4 Ų437.1 Ų37.12%0.02122%0.221CC..Hα-helixtrans-65.1-32.7177.9-141.222.2000112.9L244 G248 S316 I317 M318 F324 F362L244-N320 PolarHBondContact O-ND2 2.88Å; G248-N320 WeakPolarHBondContact CA-OD1 3.29Å; S316-N320 WeakPolarHBondContact O-CB 3.3Å; S316-N320 PolarHBondContact O-N 2.95Å; I317-N320 PolarHBondContact O-N 3.39Å; M318-N320 VanDerWaalsContact C-N 3.32Å; M318-N320 PolarHBondContact O-N 2.91Å; N320-F324 WeakPolarHBondContact O-CB 3.42Å; N320-F324 PolarHBondContact O-N 2.03Å; N320-F362 PolarHBondContact ND2-O 3.13Å
321F90.8Very high91.1Very high80 Ų8037.3 Ų37.335%0.35122%0.224SC..Hα-helixtrans-63.8-47.1172-177.7-106.1000112.1I317 M318 V319 L323 F324 I325 I364 T367I317-F321 PolarHBondContact O-N 3.05Å; M318-F321 PolarHBondContact O-N 3.1Å; V319-F321 VanDerWaalsContact C-N 3.3Å; V319-F321 PolarHBondContact O-N 3.38Å; F321-L323 VanDerWaalsContact C-N 3.34Å; F321-L323 PolarHBondContact O-N 2.9Å; F321-F324 WeakPolarHBondContact O-CB 3.49Å; F321-F324 PolarHBondContact O-N 3.04Å; F321-I325 HydrophobicContact CE1-CG1 4.19Å; F321-I325 HydrophobicContact CE2-CD1 4.37Å; F321-I325 HydrophobicContact CE2-CG1 4.46Å; F321-I325 HydrophobicContact CZ-CD1 4.18Å; F321-I325 HydrophobicContact CZ-CG1 4.14Å; F321-I325 WeakPolarHBondContact O-CG1 3.39Å; F321-I325 PolarHBondContact O-N 3.26Å; F321-I364 HydrophobicContact CD2-CD1 4.44Å; F321-I364 HydrophobicContact CD2-CG2 4.16Å; F321-I364 HydrophobicContact CE2-CG2 4.42Å; F321-T367 HydrophobicContact CB-CG2 3.92Å; F321-T367 HydrophobicContact CD2-CG2 3.94Å; F321-T367 HydrophobicContact CG-CG2 4.19Å
322V92.2Very high90.7Very high104 Ų10438.1 Ų38.163%0.6322%0.224SC*.Hα-helixtrans-61.8-42.4176.4176.50000111.2M318 V319 I325 G326M318-V322 PolarHBondContact O-N 3.45Å; V319-V322 PolarHBondContact O-N 3.36Å; V322-I325 PolarHBondContact O-N 2.9Å; V322-G326 PolarHBondContact O-N 2.9Å
323L92.6Very high90.1Very high16 Ų1641.8 Ų41.88%0.08424%0.238CC..Hα-helixtrans-61.7-42.7174.7-67.7169.9000111.7F245 L249 F252 V319 F321 G326 I327F245-L323 HydrophobicContact CD2-CD1 4.3Å; F245-L323 HydrophobicContact CE2-CD1 4.11Å; L249-L323 HydrophobicContact CB-CD1 4.13Å; L249-L323 HydrophobicContact CD1-CD1 4.32Å; L249-L323 HydrophobicContact CD1-CD2 4.44Å; F252-L323 HydrophobicContact CB-CD2 3.79Å; F252-L323 HydrophobicContact CD1-CD2 3.49Å; F252-L323 VanDerWaalsContact CD1-CD2 3.49Å; F252-L323 HydrophobicContact CD2-CD2 4.14Å; F252-L323 HydrophobicContact CE1-CD2 4.06Å; F252-L323 HydrophobicContact CG-CD2 3.53Å; V319-L323 HydrophobicContact CG1-CD1 3.96Å; V319-L323 HydrophobicContact CG1-CG 4.25Å; V319-L323 VanDerWaalsContact O-CG 3.27Å; V319-L323 WeakPolarHBondContact O-CG 3.1Å; V319-L323 PolarHBondContact O-N 3.23Å; F321-L323 VanDerWaalsContact C-N 3.34Å; F321-L323 PolarHBondContact O-N 2.9Å; L323-G326 PolarHBondContact O-N 3.48Å; L323-I327 WeakPolarHBondContact O-CD1 3.4Å; L323-I327 VanDerWaalsContact O-CG1 3.23Å; L323-I327 WeakPolarHBondContact O-CG1 3.43Å; L323-I327 PolarHBondContact O-N 3.47Å
324F90.6Very high89.6Confident17 Ų1746.6 Ų46.68%0.07526%0.257CS..Hα-helixtrans-59.9-47.9175.7169.8-117.2000112.1N320 F321 G326 I327 I328 T355 L358 I359 F362 I364N320-F324 WeakPolarHBondContact O-CB 3.42Å; N320-F324 PolarHBondContact O-N 2.03Å; F321-F324 WeakPolarHBondContact O-CB 3.49Å; F321-F324 PolarHBondContact O-N 3.04Å; F324-G326 VanDerWaalsContact C-N 3.31Å; F324-G326 PolarHBondContact O-N 3.39Å; F324-I327 PolarHBondContact O-N 3.45Å; F324-I328 HydrophobicContact CD2-CD1 4.46Å; F324-I328 HydrophobicContact CD2-CG1 4.02Å; F324-I328 HydrophobicContact CE2-CD1 3.88Å; F324-I328 HydrophobicContact CE2-CG1 3.68Å; F324-I328 HydrophobicContact CZ-CD1 4.41Å; F324-I328 HydrophobicContact CZ-CG1 4Å; F324-I328 WeakPolarHBondContact O-CG1 3.42Å; F324-I328 PolarHBondContact O-N 2.95Å; F324-T355 HydrophobicContact CE2-CG2 4.28Å; F324-T355 HydrophobicContact CZ-CG2 3.92Å; F324-L358 HydrophobicContact CD2-CB 4.47Å; F324-L358 HydrophobicContact CE2-CB 4.01Å; F324-I359 HydrophobicContact CZ-CG1 4.04Å; F324-F362 HydrophobicContact CB-CD2 4.03Å; F324-F362 AromaticContact CD2-CD2 3.55Å; F324-F362 HydrophobicContact CD2-CD2 3.55Å; F324-F362 AromaticContact CD2-CE2 3.83Å; F324-F362 HydrophobicContact CD2-CE2 3.83Å; F324-F362 HydrophobicContact CE2-CD2 4.38Å; F324-F362 HydrophobicContact CG-CD2 4.13Å; F324-I364 HydrophobicContact CB-CD1 3.78Å; F324-I364 HydrophobicContact CB-CG1 4.46Å; F324-I364 HydrophobicContact CD1-CD1 3.87Å; F324-I364 HydrophobicContact CD1-CG1 3.88Å; F324-I364 HydrophobicContact CD1-CG2 4.41Å; F324-I364 HydrophobicContact CE1-CG1 4.18Å; F324-I364 HydrophobicContact CE1-CG2 4.36Å; F324-I364 HydrophobicContact CG-CD1 3.88Å; F324-I364 HydrophobicContact CG-CG1 4.04Å
325I89.4Confident88.7Confident80 Ų8046.9 Ų46.941%0.4126%0.258SS..Hα-helixtrans-59.2-43.4175.4-61.9-59000110.8F321 V322 I327 I328 V329F321-I325 HydrophobicContact CE1-CG1 4.19Å; F321-I325 HydrophobicContact CE2-CD1 4.37Å; F321-I325 HydrophobicContact CE2-CG1 4.46Å; F321-I325 HydrophobicContact CZ-CD1 4.18Å; F321-I325 HydrophobicContact CZ-CG1 4.14Å; F321-I325 WeakPolarHBondContact O-CG1 3.39Å; F321-I325 PolarHBondContact O-N 3.26Å; V322-I325 PolarHBondContact O-N 2.9Å; I325-I327 PolarHBondContact O-N 3.34Å; I325-I328 PolarHBondContact O-N 3.45Å; I325-V329 WeakPolarHBondContact O-CG2 3.47Å; I325-V329 PolarHBondContact O-N 2.98Å
326G91.6Very high87.8Confident20 Ų2051.5 Ų51.521%0.20627%0.27CS..Hα-helixtrans-59.9-44.1174.700000113.7V322 L323 F324 I328 V329 I330V322-G326 PolarHBondContact O-N 2.9Å; L323-G326 PolarHBondContact O-N 3.48Å; F324-G326 VanDerWaalsContact C-N 3.31Å; F324-G326 PolarHBondContact O-N 3.39Å; G326-I328 VanDerWaalsContact C-N 3.34Å; G326-I328 PolarHBondContact O-N 3.13Å; G326-V329 PolarHBondContact O-N 2.81Å; G326-I330 WeakPolarHBondContact O-CD1 3.42Å; G326-I330 VanDerWaalsContact O-CG1 3.32Å; G326-I330 WeakPolarHBondContact O-CG1 3.26Å; G326-I330 PolarHBondContact O-N 2.95Å
327I89.6Confident86.5Confident4 Ų453.5 Ų53.52%0.02128%0.283CS..Hα-helixtrans-60.3-43.4175.1-69.6161.5000110.7L251 F252 L255 L323 F324 I325 I330 L331 L358 F362L251-I327 HydrophobicContact CB-CD1 4.34Å; L251-I327 HydrophobicContact CD2-CD1 4.29Å; L251-I327 HydrophobicContact CD2-CG2 4.39Å; F252-I327 HydrophobicContact CB-CD1 4.21Å; F252-I327 HydrophobicContact CB-CG1 4.12Å; F252-I327 HydrophobicContact CD2-CG1 4.12Å; L255-I327 HydrophobicContact CD1-CB 4.46Å; L255-I327 HydrophobicContact CD1-CG1 4.2Å; L255-I327 HydrophobicContact CD1-CG2 3.95Å; L323-I327 WeakPolarHBondContact O-CD1 3.4Å; L323-I327 VanDerWaalsContact O-CG1 3.23Å; L323-I327 WeakPolarHBondContact O-CG1 3.43Å; L323-I327 PolarHBondContact O-N 3.47Å; F324-I327 PolarHBondContact O-N 3.45Å; I325-I327 PolarHBondContact O-N 3.34Å; I327-I330 PolarHBondContact O-N 3.07Å; I327-L331 VanDerWaalsContact O-CB 3.23Å; I327-L331 WeakPolarHBondContact O-CB 3.34Å; I327-L331 PolarHBondContact O-N 2.96Å; I327-L358 HydrophobicContact CG2-CD1 4.46Å; I327-F362 HydrophobicContact CD1-CE1 4.5Å; I327-F362 HydrophobicContact CD1-CE2 4Å; I327-F362 HydrophobicContact CD1-CZ 3.73Å
328I86.2Confident85.1Confident33 Ų3358.6 Ų58.617%0.16932%0.318CS..Hα-helixtrans-66.7-41.3178.7-65.7-54.7000111.6F324 I325 G326 L331 V332 T355 L358F324-I328 HydrophobicContact CD2-CD1 4.46Å; F324-I328 HydrophobicContact CD2-CG1 4.02Å; F324-I328 HydrophobicContact CE2-CD1 3.88Å; F324-I328 HydrophobicContact CE2-CG1 3.68Å; F324-I328 HydrophobicContact CZ-CD1 4.41Å; F324-I328 HydrophobicContact CZ-CG1 4Å; F324-I328 WeakPolarHBondContact O-CG1 3.42Å; F324-I328 PolarHBondContact O-N 2.95Å; I325-I328 PolarHBondContact O-N 3.45Å; G326-I328 VanDerWaalsContact C-N 3.34Å; G326-I328 PolarHBondContact O-N 3.13Å; I328-L331 HydrophobicContact CD1-CD2 4.44Å; I328-L331 PolarHBondContact O-N 2.75Å; I328-V332 HydrophobicContact CG2-CG2 4.32Å; I328-V332 WeakPolarHBondContact O-CB 3.38Å; I328-V332 VanDerWaalsContact O-CG2 3.29Å; I328-V332 WeakPolarHBondContact O-CG2 3.26Å; I328-V332 PolarHBondContact O-N 3.3Å; I328-T355 HydrophobicContact CD1-CG2 3.86Å; I328-T355 WeakPolarHBondContact CD1-OG1 3.31Å; I328-T355 HydrophobicContact CG1-CG2 4.47Å; I328-L358 HydrophobicContact CD1-CD1 4.27Å
329V90.3Very high83.6Confident72 Ų7263.5 Ų63.544%0.43635%0.345SS..Hα-helixtrans-60.2-48174.9170.60000111.3I325 G326 L331 V332 Q333I325-V329 WeakPolarHBondContact O-CG2 3.47Å; I325-V329 PolarHBondContact O-N 2.98Å; G326-V329 PolarHBondContact O-N 2.81Å; V329-L331 VanDerWaalsContact C-N 3.31Å; V329-L331 PolarHBondContact O-N 2.98Å; V329-V332 PolarHBondContact O-N 3.22Å; V329-Q333 VanDerWaalsContact O-CG 3.3Å; V329-Q333 WeakPolarHBondContact O-CG 2.87Å; V329-Q333 PolarHBondContact O-N 2.96Å
330I87.6Confident81.9Confident27 Ų2765.1 Ų65.114%0.13835%0.349CS..Hα-helixtrans-63.5-37.5178-65.5163.2000111.3F252 L255 V256 G326 I327 K334F252-I330 HydrophobicContact CD2-CD1 4.48Å; F252-I330 HydrophobicContact CE2-CD1 4.15Å; L255-I330 HydrophobicContact CB-CD1 4.44Å; L255-I330 HydrophobicContact CB-CG2 4.31Å; V256-I330 HydrophobicContact CG2-CD1 3.61Å; G326-I330 WeakPolarHBondContact O-CD1 3.42Å; G326-I330 VanDerWaalsContact O-CG1 3.32Å; G326-I330 WeakPolarHBondContact O-CG1 3.26Å; G326-I330 PolarHBondContact O-N 2.95Å; I327-I330 PolarHBondContact O-N 3.07Å; I330-K334 HydrophobicContact CG2-CD 3.93Å; I330-K334 WeakPolarHBondContact O-CB 3.37Å; I330-K334 WeakPolarHBondContact O-CG 3.48Å; I330-K334 PolarHBondContact O-N 3.37Å
331L84.4Confident80.2Confident42 Ų4269.5 Ų69.522%0.2240%0.395CS..Hα-helixtrans-68.5-42.2177.7-177.860.2000111.8I327 I328 V329 K334 L335 L351I327-L331 VanDerWaalsContact O-CB 3.23Å; I327-L331 WeakPolarHBondContact O-CB 3.34Å; I327-L331 PolarHBondContact O-N 2.96Å; I328-L331 HydrophobicContact CD1-CD2 4.44Å; I328-L331 PolarHBondContact O-N 2.75Å; V329-L331 VanDerWaalsContact C-N 3.31Å; V329-L331 PolarHBondContact O-N 2.98Å; L331-K334 PolarHBondContact O-N 3.27Å; L331-L335 HydrophobicContact CD1-CD1 4.01Å; L331-L335 HydrophobicContact CD1-CG 4.35Å; L331-L335 HydrophobicContact CG-CD1 3.9Å; L331-L335 WeakPolarHBondContact O-CB 3.38Å; L331-L335 WeakPolarHBondContact O-CD1 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.17Å; L331-L335 PolarHBondContact O-N 3.49Å; L331-L335 VanDerWaalsContact O-N 3.09Å; L331-L351 HydrophobicContact CD2-CD1 3.68Å; L331-L351 HydrophobicContact CG-CD1 3.96Å
332V82.8Confident78.9Confident42 Ų4267.4 Ų67.426%0.25540%0.396SS..Hα-helixtrans-60.9-48.5174.4168.40000110.6I328 V329 K334 L335 Q336 L351I328-V332 HydrophobicContact CG2-CG2 4.32Å; I328-V332 WeakPolarHBondContact O-CB 3.38Å; I328-V332 VanDerWaalsContact O-CG2 3.29Å; I328-V332 WeakPolarHBondContact O-CG2 3.26Å; I328-V332 PolarHBondContact O-N 3.3Å; V329-V332 PolarHBondContact O-N 3.22Å; V332-K334 VanDerWaalsContact C-N 3.34Å; V332-K334 PolarHBondContact O-N 3.18Å; V332-L335 CarbonylContact O-C 3.6Å; V332-L335 PolarHBondContact O-N 3.5Å; V332-Q336 HydrophobicContact CG1-CG 4.29Å; V332-Q336 WeakPolarHBondContact O-CG 3.45Å; V332-Q336 PolarHBondContact O-N 2.95Å; V332-L351 HydrophobicContact CG2-CD1 4.47Å; V332-L351 HydrophobicContact CG2-CD2 3.69Å
333Q84.4Confident77.6Confident117 Ų11768.5 Ų68.555%0.54740%0.398SS..Hα-helixtrans-57.8-44.3177.5-71.7169.4-11.200112.2V329 L335 Q336 S337V329-Q333 VanDerWaalsContact O-CG 3.3Å; V329-Q333 WeakPolarHBondContact O-CG 2.87Å; V329-Q333 PolarHBondContact O-N 2.96Å; Q333-L335 PolarHBondContact O-N 3.34Å; Q333-Q336 PolarHBondContact O-N 3.32Å; Q333-S337 PolarHBondContact O-N 3.28Å
334K81.4Confident76.4Confident118 Ų11874.5 Ų74.551%0.51343%0.426SS..Hα-helixtrans-73.9-4.4176.4-71.4173.2-179.6166.70114.4L255 I330 L331 V332 S337L255-K334 PolarHBondContact O-NZ 2.94Å; I330-K334 HydrophobicContact CG2-CD 3.93Å; I330-K334 WeakPolarHBondContact O-CB 3.37Å; I330-K334 WeakPolarHBondContact O-CG 3.48Å; I330-K334 PolarHBondContact O-N 3.37Å; L331-K334 PolarHBondContact O-N 3.27Å; V332-K334 VanDerWaalsContact C-N 3.34Å; V332-K334 PolarHBondContact O-N 3.18Å; K334-S337 PolarHBondContact O-OG 3.25Å
335L72.9Confident75.4Confident30 Ų3077.1 Ų77.116%0.15745%0.446CS..Hα-helixtrans-106.9-17.9173.8-73168.9000113.1L331 V332 Q333 I347 R350 L351L331-L335 HydrophobicContact CD1-CD1 4.01Å; L331-L335 HydrophobicContact CD1-CG 4.35Å; L331-L335 HydrophobicContact CG-CD1 3.9Å; L331-L335 WeakPolarHBondContact O-CB 3.38Å; L331-L335 WeakPolarHBondContact O-CD1 3.27Å; L331-L335 WeakPolarHBondContact O-CG 3.17Å; L331-L335 PolarHBondContact O-N 3.49Å; L331-L335 VanDerWaalsContact O-N 3.09Å; V332-L335 CarbonylContact O-C 3.6Å; V332-L335 PolarHBondContact O-N 3.5Å; Q333-L335 PolarHBondContact O-N 3.34Å; L335-I347 HydrophobicContact CB-CG2 4.12Å; L335-R350 VanDerWaalsContact CD2-NH2 3.29Å; L335-L351 HydrophobicContact CD1-CB 4.01Å; L335-L351 HydrophobicContact CD1-CD1 3.9Å; L335-L351 HydrophobicContact CD1-CG 4.38Å
336Q74.3Confident74.7Confident133 Ų13376.3 Ų76.362%0.62145%0.448SS*.Hα-helixtrans-93.2-9.6176.5-72.4179.1-3800113.5V332 Q333V332-Q336 HydrophobicContact CG1-CG 4.29Å; V332-Q336 WeakPolarHBondContact O-CG 3.45Å; V332-Q336 PolarHBondContact O-N 2.95Å; Q333-Q336 PolarHBondContact O-N 3.32Å
337S67.2Low73.7Confident50 Ų5076.9 Ų76.935%0.3545%0.446SS..SBendtrans-60.2135.4170.547.80000110.9Q333 K334 D339Q333-S337 PolarHBondContact O-N 3.28Å; K334-S337 PolarHBondContact O-OG 3.25Å; S337-D339 PolarHBondContact O-N 3.34Å
338P62.8Low72.9Confident124 Ų12483.5 Ų83.581%0.80547%0.472SS*.THydrogen-bonded Turntrans-71.39.2-160.427.5-36.7000116.9M340P338-M340 PolarHBondContact O-N 3.43Å
339D59.1Low72.5Confident149 Ų14988.1 Ų88.180%0.79750%0.496SS*.THydrogen-bonded Turntrans-68.4-0.5177.9-59.9-49.3000114.2S337S337-D339 PolarHBondContact O-N 3.34Å
340M57.6Low71.8Confident105 Ų10589.9 Ų89.952%0.51750%0.495SS..  trans-130.684176.5-74.3-165.4151.200112.4P338 G342 R350P338-M340 PolarHBondContact O-N 3.43Å; M340-G342 PolarHBondContact O-N 3.31Å; M340-R350 PolarHBondContact SD-NH1 2.9Å; M340-R350 PolarHBondContact SD-NH2 3.44Å
341G56.6Low71Confident96 Ų9689.8 Ų89.899%0.9950%0.495SS*.  trans-68.956.6163.500000112.7
342G63Low70.4Confident37 Ų3790.5 Ų90.538%0.38151%0.507SS..SBendtrans-123.2146.5-178.400000111.5M340 E344M340-G342 PolarHBondContact O-N 3.31Å; G342-E344 PolarHBondContact O-N 3.37Å
343N65.9Low70.2Confident126 Ų12697.3 Ų97.367%0.67453%0.528SS*.  trans-45.9123.6-172.6-160.72.8000112.5S345 S346N343-S345 PolarHBondContact O-N 3.23Å; N343-S345 VanDerWaalsContact O-N 3.11Å; N343-S346 WeakPolarHBondContact O-CB 3.1Å; N343-S346 PolarHBondContact O-N 2.99Å; N343-S346 PolarHBondContact O-OG 3.42Å
344E67.5Low69.6Low142 Ų14294 Ų9466%0.66452%0.518SS*.Hα-helixtrans-54.2-39.7-166.6-60.5-177.8140.300113G342 S346 I347 Y348G342-E344 PolarHBondContact O-N 3.37Å; E344-S346 PolarHBondContact O-N 3.17Å; E344-S346 VanDerWaalsContact O-N 3.15Å; E344-I347 WeakPolarHBondContact O-CA 3.43Å; E344-I347 WeakPolarHBondContact O-CB 3.42Å; E344-I347 PolarHBondContact O-N 3.1Å; E344-Y348 HydrophobicContact CB-CD2 4.35Å; E344-Y348 HydrophobicContact CB-CE2 4.26Å; E344-Y348 VanDerWaalsContact O-CD2 3.26Å; E344-Y348 WeakPolarHBondContact O-CD2 3.44Å; E344-Y348 PolarHBondContact O-N 3.32Å
345S68.8Low69.3Low72 Ų7289.7 Ų89.750%0.50350%0.501SS..Hα-helixtrans-54.1-31.917656.60000113.6N343 L349N343-S345 PolarHBondContact O-N 3.23Å; N343-S345 VanDerWaalsContact O-N 3.11Å; S345-L349 VanDerWaalsContact O-CB 3.24Å; S345-L349 WeakPolarHBondContact O-CB 3.33Å; S345-L349 PolarHBondContact O-N 3.07Å
346S75Confident69.4Low64 Ų6494 Ų9445%0.44852%0.524SS..Hα-helixtrans-74-31.8175.874.20000112.7N343 E344 R350N343-S346 WeakPolarHBondContact O-CB 3.1Å; N343-S346 PolarHBondContact O-N 2.99Å; N343-S346 PolarHBondContact O-OG 3.42Å; E344-S346 PolarHBondContact O-N 3.17Å; E344-S346 VanDerWaalsContact O-N 3.15Å; S346-R350 VanDerWaalsContact O-CB 3.25Å; S346-R350 WeakPolarHBondContact O-CB 3.14Å; S346-R350 PolarHBondContact O-N 3.31Å
347I71.6Confident69.3Low32 Ų3291.1 Ų91.116%0.16451%0.512CS..Hα-helixtrans-70.6-48174.3-57.9176.2000109L335 E344 L349 R350 L351L335-I347 HydrophobicContact CB-CG2 4.12Å; E344-I347 WeakPolarHBondContact O-CA 3.43Å; E344-I347 WeakPolarHBondContact O-CB 3.42Å; E344-I347 PolarHBondContact O-N 3.1Å; I347-L349 PolarHBondContact O-N 2.95Å; I347-R350 PolarHBondContact O-N 2.95Å; I347-L351 WeakPolarHBondContact O-CB 3.3Å; I347-L351 PolarHBondContact O-N 3.25Å
348Y72Confident69.8Low143 Ų14389.6 Ų89.656%0.56150%0.5SS*.Hα-helixtrans-60.7-43.2175.1-74.1-68.5000112.6E344 R350 L351 A352E344-Y348 HydrophobicContact CB-CD2 4.35Å; E344-Y348 HydrophobicContact CB-CE2 4.26Å; E344-Y348 VanDerWaalsContact O-CD2 3.26Å; E344-Y348 WeakPolarHBondContact O-CD2 3.44Å; E344-Y348 PolarHBondContact O-N 3.32Å; Y348-R350 PolarHBondContact O-N 3.12Å; Y348-L351 PolarHBondContact O-N 3.35Å; Y348-A352 VanDerWaalsContact O-CB 3.23Å; Y348-A352 WeakPolarHBondContact O-CB 3.32Å; Y348-A352 PolarHBondContact O-N 3.14Å
349L77.3Confident70.5Confident130 Ų13086.8 Ų86.868%0.68148%0.478SS*.Hα-helixtrans-64.7-40.1176.8-178.362.9000112.3S345 I347 R353S345-L349 VanDerWaalsContact O-CB 3.24Å; S345-L349 WeakPolarHBondContact O-CB 3.33Å; S345-L349 PolarHBondContact O-N 3.07Å; I347-L349 PolarHBondContact O-N 2.95Å; L349-R353 WeakPolarHBondContact O-CB 3.33Å; L349-R353 PolarHBondContact O-N 3.05Å
350R75Confident71Confident109 Ų10981.2 Ų81.241%0.41145%0.449SS..Hα-helixtrans-66.3-42.1175.7-179.2177.162.1-178.6-4.7111.7L335 M340 S346 I347 Y348 S354L335-R350 VanDerWaalsContact CD2-NH2 3.29Å; M340-R350 PolarHBondContact SD-NH1 2.9Å; M340-R350 PolarHBondContact SD-NH2 3.44Å; S346-R350 VanDerWaalsContact O-CB 3.25Å; S346-R350 WeakPolarHBondContact O-CB 3.14Å; S346-R350 PolarHBondContact O-N 3.31Å; I347-R350 PolarHBondContact O-N 2.95Å; Y348-R350 PolarHBondContact O-N 3.12Å; R350-S354 PolarHBondContact O-N 2.63Å
351L71.5Confident71.7Confident25 Ų2576.3 Ų76.313%0.13143%0.425CS..Hα-helixtrans-63.1-53.7174.317458.3000110.9L331 V332 L335 I347 Y348 R353 S354 T355L331-L351 HydrophobicContact CD2-CD1 3.68Å; L331-L351 HydrophobicContact CG-CD1 3.96Å; V332-L351 HydrophobicContact CG2-CD1 4.47Å; V332-L351 HydrophobicContact CG2-CD2 3.69Å; L335-L351 HydrophobicContact CD1-CB 4.01Å; L335-L351 HydrophobicContact CD1-CD1 3.9Å; L335-L351 HydrophobicContact CD1-CG 4.38Å; I347-L351 WeakPolarHBondContact O-CB 3.3Å; I347-L351 PolarHBondContact O-N 3.25Å; Y348-L351 PolarHBondContact O-N 3.35Å; L351-R353 VanDerWaalsContact C-N 3.26Å; L351-R353 PolarHBondContact O-N 3.2Å; L351-S354 CarbonylContact O-C 3.59Å; L351-S354 WeakPolarHBondContact O-CA 3.28Å; L351-S354 WeakPolarHBondContact O-CB 3.4Å; L351-S354 PolarHBondContact O-N 2.94Å; L351-T355 PolarHBondContact O-N 3.39Å; L351-T355 PolarHBondContact O-OG1 3.4Å; L351-T355 VanDerWaalsContact O-OG1 3.11Å
352A71.8Confident72.7Confident57 Ų5772 Ų7247%0.47138%0.38SS..Hα-helixtrans-55.4-41.9179.300000111.7Y348 T355 L356Y348-A352 VanDerWaalsContact O-CB 3.23Å; Y348-A352 WeakPolarHBondContact O-CB 3.32Å; Y348-A352 PolarHBondContact O-N 3.14Å; A352-T355 PolarHBondContact O-N 2.71Å; A352-L356 VanDerWaalsContact O-CB 3.27Å; A352-L356 WeakPolarHBondContact O-CB 3.12Å; A352-L356 PolarHBondContact O-N 2.82Å
353R78.6Confident73.3Confident184 Ų18470.3 Ų70.369%0.69436%0.362SS*.Hα-helixtrans-60.7-48171.6-176.3176.4178.6174.10.8111.5L349 L351 L357L349-R353 WeakPolarHBondContact O-CB 3.33Å; L349-R353 PolarHBondContact O-N 3.05Å; L351-R353 VanDerWaalsContact C-N 3.26Å; L351-R353 PolarHBondContact O-N 3.2Å; R353-L357 VanDerWaalsContact O-CG 3.31Å; R353-L357 WeakPolarHBondContact O-CG 3.43Å; R353-L357 PolarHBondContact O-N 3.3Å
354S72.2Confident74Confident48 Ų4865.2 Ų65.234%0.33633%0.334SS..Hα-helixtrans-59.8-46.2177.6-163.50000112.2R350 L351 L357 L358R350-S354 PolarHBondContact O-N 2.63Å; L351-S354 CarbonylContact O-C 3.59Å; L351-S354 WeakPolarHBondContact O-CA 3.28Å; L351-S354 WeakPolarHBondContact O-CB 3.4Å; L351-S354 PolarHBondContact O-N 2.94Å; S354-L357 PolarHBondContact O-N 2.82Å; S354-L358 WeakPolarHBondContact O-CG 3.28Å; S354-L358 PolarHBondContact O-N 3.31Å
355T74.1Confident74.7Confident28 Ų2859.2 Ų59.217%0.17231%0.306CS..Hα-helixtrans-65.1-43.8179.4-56.10000112.4F324 I328 L351 A352 L357 L358 I359F324-T355 HydrophobicContact CE2-CG2 4.28Å; F324-T355 HydrophobicContact CZ-CG2 3.92Å; I328-T355 HydrophobicContact CD1-CG2 3.86Å; I328-T355 WeakPolarHBondContact CD1-OG1 3.31Å; I328-T355 HydrophobicContact CG1-CG2 4.47Å; L351-T355 PolarHBondContact O-N 3.39Å; L351-T355 PolarHBondContact O-OG1 3.4Å; L351-T355 VanDerWaalsContact O-OG1 3.11Å; A352-T355 PolarHBondContact O-N 2.71Å; T355-L357 PolarHBondContact O-N 3.27Å; T355-L358 WeakPolarHBondContact O-CB 3.44Å; T355-L358 PolarHBondContact O-N 3.45Å; T355-I359 PolarHBondContact O-N 3.46Å; T355-I359 VanDerWaalsContact O-N 3.14Å
356L75.6Confident75.3Confident120 Ų12056 Ų5663%0.62828%0.283SS*.Hα-helixtrans-58.8-34.3177.1-167.682000111.9A352 L358 P360A352-L356 VanDerWaalsContact O-CB 3.27Å; A352-L356 WeakPolarHBondContact O-CB 3.12Å; A352-L356 PolarHBondContact O-N 2.82Å; L356-L358 VanDerWaalsContact C-N 3.32Å; L356-P360 WeakPolarHBondContact O-CD 3.36Å
357L72.7Confident75.6Confident72 Ų7254.3 Ų54.338%0.37727%0.27SS..Hα-helixtrans-73.8-21.5175.6-63.9-173.1000113.4R353 S354 T355 L399R353-L357 VanDerWaalsContact O-CG 3.31Å; R353-L357 WeakPolarHBondContact O-CG 3.43Å; R353-L357 PolarHBondContact O-N 3.3Å; S354-L357 PolarHBondContact O-N 2.82Å; T355-L357 PolarHBondContact O-N 3.27Å; L357-L399 HydrophobicContact CB-CD1 4.08Å; L357-L399 HydrophobicContact CD1-CD2 4.1Å; L357-L399 HydrophobicContact CD2-CD1 3.87Å; L357-L399 HydrophobicContact CD2-CD2 3.47Å; L357-L399 VanDerWaalsContact CD2-CD2 3.47Å; L357-L399 HydrophobicContact CD2-CG 4.32Å; L357-L399 HydrophobicContact CG-CD1 4.44Å; L357-L399 HydrophobicContact CG-CD2 4.26Å
358L77Confident76.1Confident19 Ų1957.2 Ų57.210%0.09929%0.289CS..Hα-helixtrans-88-24.5178.8-66.2170.9000113.4L251 F324 I327 I328 S354 T355 L356 L361 F362L251-L358 HydrophobicContact CD2-CD2 4.42Å; F324-L358 HydrophobicContact CD2-CB 4.47Å; F324-L358 HydrophobicContact CE2-CB 4.01Å; I327-L358 HydrophobicContact CG2-CD1 4.46Å; I328-L358 HydrophobicContact CD1-CD1 4.27Å; S354-L358 WeakPolarHBondContact O-CG 3.28Å; S354-L358 PolarHBondContact O-N 3.31Å; T355-L358 WeakPolarHBondContact O-CB 3.44Å; T355-L358 PolarHBondContact O-N 3.45Å; L356-L358 VanDerWaalsContact C-N 3.32Å; L358-L361 HydrophobicContact CD2-CD2 4.03Å; L358-L361 VanDerWaalsContact O-CB 3.29Å; L358-L361 WeakPolarHBondContact O-CB 3.41Å; L358-L361 PolarHBondContact O-N 2.69Å; L358-F362 HydrophobicContact CB-CD2 4.12Å; L358-F362 HydrophobicContact CB-CE2 3.83Å; L358-F362 HydrophobicContact CD1-CE2 4.35Å; L358-F362 HydrophobicContact CD2-CE2 3.78Å; L358-F362 HydrophobicContact CD2-CZ 3.85Å; L358-F362 HydrophobicContact CG-CE2 4.18Å; L358-F362 WeakPolarHBondContact O-CD2 3.49Å; L358-F362 PolarHBondContact O-N 2.82Å
359I77.5Confident76.5Confident65 Ų6551.9 Ų51.933%0.33327%0.269SS..THydrogen-bonded Turntrans-59.1-52.9178.1-70.5169.1000113.6F324 T355 L361 I364F324-I359 HydrophobicContact CZ-CG1 4.04Å; T355-I359 PolarHBondContact O-N 3.46Å; T355-I359 VanDerWaalsContact O-N 3.14Å; I359-L361 PolarHBondContact O-N 3.01Å; I359-I364 HydrophobicContact CG2-CB 4.42Å; I359-I364 PolarHBondContact O-N 3.48Å; I359-I364 VanDerWaalsContact O-N 3.12Å
360P70.6Confident76.3Confident31 Ų3146.5 Ų46.520%0.20124%0.243CC..THydrogen-bonded Turntrans-70.2-23.6174.629.7-34.7000111.4L356 Q392 V395L356-P360 WeakPolarHBondContact O-CD 3.36Å; P360-Q392 VanDerWaalsContact O-CG 3.32Å; P360-Q392 WeakPolarHBondContact O-CG 3.41Å; P360-Q392 PolarHBondContact O-NE2 3.49Å; P360-V395 HydrophobicContact CB-CG1 4.1Å; P360-V395 HydrophobicContact CG-CG1 3.84Å
361L71.6Confident76.3Confident3 Ų348.8 Ų48.82%0.01626%0.256CS..THydrogen-bonded Turntrans-67.9-55.1-178-160.291.7000112.2L244 E247 L358 I359 G363 V396 Y400L244-L361 WeakPolarHBondContact CD2-O 3.44Å; E247-L361 HydrophobicContact CG-CD2 4.48Å; E247-L361 WeakPolarHBondContact OE2-CD2 3.04Å; E247-L361 WeakPolarHBondContact OE2-CG 3.03Å; L358-L361 HydrophobicContact CD2-CD2 4.03Å; L358-L361 VanDerWaalsContact O-CB 3.29Å; L358-L361 WeakPolarHBondContact O-CB 3.41Å; L358-L361 PolarHBondContact O-N 2.69Å; I359-L361 PolarHBondContact O-N 3.01Å; L361-G363 PolarHBondContact O-N 2.93Å; L361-V396 HydrophobicContact CD1-CG2 4.1Å; L361-Y400 HydrophobicContact CD1-CD2 3.87Å; L361-Y400 HydrophobicContact CD1-CE2 3.27Å; L361-Y400 HydrophobicContact CD2-CE2 3.89Å; L361-Y400 WeakPolarHBondContact CD2-OH 3.33Å; L361-Y400 HydrophobicContact CG-CE2 4.07Å
362F77.5Confident76.4Confident6 Ų648.9 Ų48.93%0.02626%0.259CS..THydrogen-bonded Turntrans-81.32.3-178.8-58.6-48.2000113.5G248 L251 N320 F324 I327 L358 I364G248-F362 VanDerWaalsContact CA-CE1 3.44Å; L251-F362 HydrophobicContact CD2-CZ 3.86Å; N320-F362 PolarHBondContact ND2-O 3.13Å; F324-F362 HydrophobicContact CB-CD2 4.03Å; F324-F362 AromaticContact CD2-CD2 3.55Å; F324-F362 HydrophobicContact CD2-CD2 3.55Å; F324-F362 AromaticContact CD2-CE2 3.83Å; F324-F362 HydrophobicContact CD2-CE2 3.83Å; F324-F362 HydrophobicContact CE2-CD2 4.38Å; F324-F362 HydrophobicContact CG-CD2 4.13Å; I327-F362 HydrophobicContact CD1-CE1 4.5Å; I327-F362 HydrophobicContact CD1-CE2 4Å; I327-F362 HydrophobicContact CD1-CZ 3.73Å; L358-F362 HydrophobicContact CB-CD2 4.12Å; L358-F362 HydrophobicContact CB-CE2 3.83Å; L358-F362 HydrophobicContact CD1-CE2 4.35Å; L358-F362 HydrophobicContact CD2-CE2 3.78Å; L358-F362 HydrophobicContact CD2-CZ 3.85Å; L358-F362 HydrophobicContact CG-CE2 4.18Å; L358-F362 WeakPolarHBondContact O-CD2 3.49Å; L358-F362 PolarHBondContact O-N 2.82Å; F362-I364 VanDerWaalsContact C-N 3.32Å; F362-I364 HydrophobicContact CB-CD1 3.72Å; F362-I364 HydrophobicContact CB-CG1 3.93Å
363G76Confident76.2Confident1 Ų150.1 Ų50.11%0.0126%0.263CS..THydrogen-bonded Turntrans68.429.1-17600000113.1L361 H365 Y366L361-G363 PolarHBondContact O-N 2.93Å; G363-H365 PolarHBondContact O-N 3.24Å; G363-H365 VanDerWaalsContact O-N 3.09Å; G363-Y366 WeakPolarHBondContact O-CB 3.26Å; G363-Y366 WeakPolarHBondContact O-CD2 3.33Å; G363-Y366 PolarHBondContact O-N 3Å
364I80Confident75.7Confident18 Ų1844.7 Ų44.79%0.09225%0.245CC..G310 helixtrans-61.9-22.6-176.4-53.4-56.8000111.8F321 F324 I359 F362 Y366 T367F321-I364 HydrophobicContact CD2-CD1 4.44Å; F321-I364 HydrophobicContact CD2-CG2 4.16Å; F321-I364 HydrophobicContact CE2-CG2 4.42Å; F324-I364 HydrophobicContact CB-CD1 3.78Å; F324-I364 HydrophobicContact CB-CG1 4.46Å; F324-I364 HydrophobicContact CD1-CD1 3.87Å; F324-I364 HydrophobicContact CD1-CG1 3.88Å; F324-I364 HydrophobicContact CD1-CG2 4.41Å; F324-I364 HydrophobicContact CE1-CG1 4.18Å; F324-I364 HydrophobicContact CE1-CG2 4.36Å; F324-I364 HydrophobicContact CG-CD1 3.88Å; F324-I364 HydrophobicContact CG-CG1 4.04Å; I359-I364 HydrophobicContact CG2-CB 4.42Å; I359-I364 PolarHBondContact O-N 3.48Å; I359-I364 VanDerWaalsContact O-N 3.12Å; F362-I364 VanDerWaalsContact C-N 3.32Å; F362-I364 HydrophobicContact CB-CD1 3.72Å; F362-I364 HydrophobicContact CB-CG1 3.93Å; I364-Y366 PolarHBondContact O-N 3.46Å; I364-T367 HydrophobicContact CG2-CG2 4.4Å; I364-T367 PolarHBondContact O-N 3.13Å; I364-T367 PolarHBondContact O-OG1 3.27Å
365H83.2Confident75.4Confident17 Ų1748 Ų488%0.07926%0.259CS..G310 helixtrans-58.6-32170.757-84.5000113G363 T367 V368 F384G363-H365 PolarHBondContact O-N 3.24Å; G363-H365 VanDerWaalsContact O-N 3.09Å; H365-T367 PolarHBondContact O-N 2.03Å; H365-V368 WeakPolarHBondContact O-CB 3.45Å; H365-V368 WeakPolarHBondContact O-CG2 3.46Å; H365-V368 PolarHBondContact O-N 2.95Å; H365-F384 HydrophobicContact CB-CE1 3.83Å; H365-F384 HydrophobicContact CB-CZ 4.19Å; H365-F384 WeakPolarHBondContact O-CE1 3.12Å
366Y81.2Confident74.8Confident4 Ų450.3 Ų50.32%0.01627%0.273CS..G310 helixtrans-67.6-20.3174.9-55.7-65.6000113R199 Y241 L244 G363 I364 V368 A370 E385 G389 Q392R199-Y366 PolarHBondContact NH1-OH 3.4Å; R199-Y366 PolarHBondContact NH2-OH 2.94Å; Y241-Y366 HydrophobicContact CD1-CD2 4.45Å; Y241-Y366 HydrophobicContact CE1-CD1 4.18Å; Y241-Y366 AromaticContact CE1-CD2 3.68Å; Y241-Y366 HydrophobicContact CE1-CD2 3.68Å; Y241-Y366 HydrophobicContact CE1-CE1 4.26Å; Y241-Y366 AromaticContact CE1-CE2 3.78Å; Y241-Y366 HydrophobicContact CE1-CE2 3.78Å; Y241-Y366 AromaticContact CE1-CG 3.91Å; Y241-Y366 HydrophobicContact CE1-CG 3.91Å; L244-Y366 HydrophobicContact CD1-CE2 4.31Å; G363-Y366 WeakPolarHBondContact O-CB 3.26Å; G363-Y366 WeakPolarHBondContact O-CD2 3.33Å; G363-Y366 PolarHBondContact O-N 3Å; I364-Y366 PolarHBondContact O-N 3.46Å; Y366-V368 PolarHBondContact O-N 2.84Å; Y366-A370 WeakPolarHBondContact O-CB 3.47Å; Y366-A370 PolarHBondContact O-N 2.83Å; Y366-E385 HydrophobicContact CD1-CG 4.26Å; Y366-G389 WeakPolarHBondContact OH-CA 3.44Å; Y366-Q392 PolarHBondContact OH-OE1 2.82Å
367T80.5Confident74.5Confident28 Ų2847 Ų4717%0.17226%0.26CS..G310 helixtrans-71-20.6178.2750000112.6I317 F321 I364 H365 F369I317-T367 HydrophobicContact CG2-CG2 3.64Å; F321-T367 HydrophobicContact CB-CG2 3.92Å; F321-T367 HydrophobicContact CD2-CG2 3.94Å; F321-T367 HydrophobicContact CG-CG2 4.19Å; I364-T367 HydrophobicContact CG2-CG2 4.4Å; I364-T367 PolarHBondContact O-N 3.13Å; I364-T367 PolarHBondContact O-OG1 3.27Å; H365-T367 PolarHBondContact O-N 2.03Å; T367-F369 VanDerWaalsContact C-N 3.33Å; T367-F369 PolarHBondContact O-N 2.8Å
368V81.6Confident74.4Confident93 Ų9349.5 Ų49.556%0.56427%0.268SS*.THydrogen-bonded Turntrans-63.3-40.2-177.5179.40000111.3H365 Y366 F384H365-V368 WeakPolarHBondContact O-CB 3.45Å; H365-V368 WeakPolarHBondContact O-CG2 3.46Å; H365-V368 PolarHBondContact O-N 2.95Å; Y366-V368 PolarHBondContact O-N 2.84Å; V368-F384 HydrophobicContact CB-CE1 4.31Å; V368-F384 HydrophobicContact CG2-CE1 4.27Å; V368-F384 HydrophobicContact CG2-CZ 4.46Å
369F79.9Confident74.2Confident31 Ų3153.9 Ų53.914%0.13628%0.283CS..THydrogen-bonded Turntrans-111.9-0.8-177.1-68.8-76.5000114T367 F371 S372 R381 F384 E385T367-F369 VanDerWaalsContact C-N 3.33Å; T367-F369 PolarHBondContact O-N 2.8Å; F369-F371 PolarHBondContact O-N 2.71Å; F369-F371 VanDerWaalsContact O-N 3.07Å; F369-S372 VanDerWaalsContact O-CB 3.28Å; F369-S372 WeakPolarHBondContact O-CB 3.46Å; F369-S372 PolarHBondContact O-N 3.03Å; F369-R381 HydrophobicContact CB-CG 3.74Å; F369-R381 HydrophobicContact CD1-CB 3.87Å; F369-R381 HydrophobicContact CD1-CG 4Å; F369-R381 HydrophobicContact CD2-CB 4.4Å; F369-R381 HydrophobicContact CD2-CG 4.17Å; F369-R381 HydrophobicContact CE1-CB 4.1Å; F369-R381 HydrophobicContact CG-CB 4.03Å; F369-R381 HydrophobicContact CG-CG 3.72Å; F369-R381 HydrophobicContact CZ-CB 4.47Å; F369-F384 AromaticContact CD2-CD1 3.83Å; F369-F384 HydrophobicContact CD2-CD1 3.83Å; F369-F384 HydrophobicContact CD2-CE1 4.4Å; F369-F384 HydrophobicContact CD2-CG 4.43Å; F369-F384 HydrophobicContact CE2-CB 3.86Å; F369-F384 AromaticContact CE2-CD1 3.62Å; F369-F384 HydrophobicContact CE2-CD1 3.62Å; F369-F384 HydrophobicContact CE2-CE1 4.25Å; F369-F384 AromaticContact CE2-CG 3.8Å; F369-F384 HydrophobicContact CE2-CG 3.8Å; F369-E385 WeakPolarHBondContact CB-OE1 3.31Å
370A74.7Confident74.2Confident17 Ų1756.8 Ų56.814%0.1430%0.295CS..THydrogen-bonded Turntrans-57.1-25.9-17800000115.1M318 Y366M318-A370 HydrophobicContact CE-CB 3.7Å; Y366-A370 WeakPolarHBondContact O-CB 3.47Å; Y366-A370 PolarHBondContact O-N 2.83Å
371F75Confident74.6Confident157 Ų15757.9 Ų57.969%0.68930%0.295SS*.THydrogen-bonded Turntrans-107.42175-64.7-67.5000113.8M318 F369 P373M318-F371 HydrophobicContact CE-CD2 4.15Å; M318-F371 HydrophobicContact CE-CE2 3.46Å; M318-F371 VanDerWaalsContact CE-CE2 3.46Å; M318-F371 HydrophobicContact CE-CZ 3.88Å; M318-F371 HydrophobicContact CG-CZ 4.02Å; M318-F371 HydrophobicContact SD-CE2 3.38Å; M318-F371 WeakPolarHBondContact SD-CE2 3.07Å; M318-F371 HydrophobicContact SD-CZ 3.42Å; M318-F371 WeakPolarHBondContact SD-CZ 3.43Å; F369-F371 PolarHBondContact O-N 2.71Å; F369-F371 VanDerWaalsContact O-N 3.07Å; F371-P373 WeakPolarHBondContact O-CD 3.35Å
372S72.6Confident75Confident27 Ų2760.2 Ų60.219%0.18931%0.307CS..SBendtrans-71124.5176.1-165.70000109.1F369 E374 V376F369-S372 VanDerWaalsContact O-CB 3.28Å; F369-S372 WeakPolarHBondContact O-CB 3.46Å; F369-S372 PolarHBondContact O-N 3.03Å; S372-E374 PolarHBondContact O-N 3.29Å; S372-V376 WeakPolarHBondContact OG-CG2 3.05Å
373P68.8Low75.1Confident84 Ų8463 Ų6355%0.54533%0.325SS..  trans-51.9141.2168.5-25.633.4000110.6F371 N375 V376F371-P373 WeakPolarHBondContact O-CD 3.35Å; P373-N375 PolarHBondContact O-N 2.84Å; P373-N375 VanDerWaalsContact O-N 3.13Å; P373-V376 HydrophobicContact CB-CG2 4.12Å; P373-V376 HydrophobicContact CG-CG2 4.18Å; P373-V376 WeakPolarHBondContact O-CG2 3.42Å; P373-V376 PolarHBondContact O-N 3.45Å; P373-V376 VanDerWaalsContact O-N 3.09Å
374E67.5Low75.4Confident69 Ų6966.3 Ų66.332%0.32234%0.339SS..THydrogen-bonded Turntrans-68.1-16.3-172.8-84.9169.6177.500113.7W306 K310 S372 K378 R381W306-E374 PolarHBondContact NE1-OE2 3.15Å; K310-E374 WeakPolarHBondContact CE-OE1 3.03Å; K310-E374 IonicContact NZ-OE1 3.98Å; K310-E374 PolarHBondContact NZ-OE1 3.3Å; K310-E374 IonicContact NZ-OE2 2.69Å; K310-E374 PolarHBondContact NZ-OE2 3.23Å; S372-E374 PolarHBondContact O-N 3.29Å; E374-K378 WeakPolarHBondContact O-CE 3.32Å; E374-K378 WeakPolarHBondContact O-CG 3.47Å; E374-R381 IonicContact OE1-NH1 3.4Å; E374-R381 PolarHBondContact OE1-NH1 2.98Å
375N65.4Low75.6Confident119 Ų11966.4 Ų66.464%0.63634%0.339SS*.THydrogen-bonded Turntrans-87.6-12.3174.4-71.6-12000114.6P373 K378P373-N375 PolarHBondContact O-N 2.84Å; P373-N375 VanDerWaalsContact O-N 3.13Å; N375-K378 WeakPolarHBondContact OD1-CE 3.22Å; N375-K378 PolarHBondContact OD1-NZ 3.48Å
376V62.2Low75.6Confident76 Ų7667.7 Ų67.746%0.46135%0.346SS..SBendtrans-101.6136.4174.3-53.80000110.9S372 P373 K378S372-V376 WeakPolarHBondContact OG-CG2 3.05Å; P373-V376 HydrophobicContact CB-CG2 4.12Å; P373-V376 HydrophobicContact CG-CG2 4.18Å; P373-V376 WeakPolarHBondContact O-CG2 3.42Å; P373-V376 PolarHBondContact O-N 3.45Å; P373-V376 VanDerWaalsContact O-N 3.09Å; V376-K378 VanDerWaalsContact C-N 3.27Å; V376-K378 PolarHBondContact O-N 3.25Å
377S68.4Low75.6Confident50 Ų5067.8 Ų67.835%0.3535%0.348SS..SBendtrans56.128.5-179.8-68.50000115.9R379 E380 R381S377-R379 VanDerWaalsContact C-N 3.26Å; S377-R379 PolarHBondContact O-N 3.05Å; S377-R379 VanDerWaalsContact O-N 3.17Å; S377-E380 WeakPolarHBondContact CB-OE2 3.29Å; S377-E380 PolarHBondContact O-N 3.01Å; S377-E380 VanDerWaalsContact O-N 3.1Å; S377-E380 PolarHBondContact OG-OE2 2.96Å; S377-R381 VanDerWaalsContact O-CB 3.28Å; S377-R381 WeakPolarHBondContact O-CB 3.45Å; S377-R381 PolarHBondContact O-N 3.29Å
378K70.4Confident75.7Confident125 Ų12570.8 Ų70.854%0.54336%0.363SS..Hα-helixtrans-40.6-53.8173.2-79.2-179.9171.9160.30112.2E374 N375 V376 E380 L382E374-K378 WeakPolarHBondContact O-CE 3.32Å; E374-K378 WeakPolarHBondContact O-CG 3.47Å; N375-K378 WeakPolarHBondContact OD1-CE 3.22Å; N375-K378 PolarHBondContact OD1-NZ 3.48Å; V376-K378 VanDerWaalsContact C-N 3.27Å; V376-K378 PolarHBondContact O-N 3.25Å; K378-E380 PolarHBondContact O-N 2.04Å; K378-L382 VanDerWaalsContact O-CB 3.31Å; K378-L382 WeakPolarHBondContact O-CB 3.25Å; K378-L382 PolarHBondContact O-N 2.98Å
379R73.9Confident76Confident111 Ų11166.4 Ų66.442%0.41934%0.337SS..Hα-helixtrans-62.9-40.6-175.7-161.3-174.4-85.7-129.94.7112.9D145 Y149 S377 V383D145-R379 IonicContact OD1-NH1 2.68Å; D145-R379 IonicContact OD2-CZ 3.55Å; D145-R379 IonicContact OD2-NH1 2.71Å; D145-R379 PolarHBondContact OD2-NH1 3.35Å; D145-R379 IonicContact OD2-NH2 3.63Å; D145-R379 PolarHBondContact OD2-NH2 2.98Å; Y149-R379 HydrophobicContact CD2-CG 3.83Å; Y149-R379 HydrophobicContact CE1-CG 4.14Å; Y149-R379 HydrophobicContact CE2-CB 4.47Å; Y149-R379 HydrophobicContact CE2-CG 3.33Å; Y149-R379 HydrophobicContact CG-CG 4.4Å; Y149-R379 WeakPolarHBondContact OH-CA 3.47Å; Y149-R379 PolarHBondContact OH-O 2.87Å; S377-R379 VanDerWaalsContact C-N 3.26Å; S377-R379 PolarHBondContact O-N 3.05Å; S377-R379 VanDerWaalsContact O-N 3.17Å; R379-V383 VanDerWaalsContact O-CG2 3.3Å; R379-V383 WeakPolarHBondContact O-CG2 3.47Å
380E77Confident76.6Confident125 Ų12565 Ų6558%0.58433%0.33SS*.Hα-helixtrans-78.1-45.7-178.8-56176.7117.600111.4S377 K378 L382 V383 F384S377-E380 WeakPolarHBondContact CB-OE2 3.29Å; S377-E380 PolarHBondContact O-N 3.01Å; S377-E380 VanDerWaalsContact O-N 3.1Å; S377-E380 PolarHBondContact OG-OE2 2.96Å; K378-E380 PolarHBondContact O-N 2.04Å; E380-L382 PolarHBondContact O-N 2.98Å; E380-V383 PolarHBondContact O-N 3.37Å; E380-F384 WeakPolarHBondContact O-CB 3.5Å; E380-F384 PolarHBondContact O-N 3.16Å
381R79.9Confident77.4Confident55 Ų5567.2 Ų67.221%0.20834%0.337CS..Hα-helixtrans-58.4-46178.7179.9177.5178.4-135.2-28.9111.3F369 E374 S377 F384 E385F369-R381 HydrophobicContact CB-CG 3.74Å; F369-R381 HydrophobicContact CD1-CB 3.87Å; F369-R381 HydrophobicContact CD1-CG 4Å; F369-R381 HydrophobicContact CD2-CB 4.4Å; F369-R381 HydrophobicContact CD2-CG 4.17Å; F369-R381 HydrophobicContact CE1-CB 4.1Å; F369-R381 HydrophobicContact CG-CB 4.03Å; F369-R381 HydrophobicContact CG-CG 3.72Å; F369-R381 HydrophobicContact CZ-CB 4.47Å; E374-R381 IonicContact OE1-NH1 3.4Å; E374-R381 PolarHBondContact OE1-NH1 2.98Å; S377-R381 VanDerWaalsContact O-CB 3.28Å; S377-R381 WeakPolarHBondContact O-CB 3.45Å; S377-R381 PolarHBondContact O-N 3.29Å; R381-F384 PolarHBondContact O-N 2.93Å; R381-E385 HydrophobicContact CG-CG 4.18Å; R381-E385 IonicContact CZ-OE1 3.71Å; R381-E385 IonicContact CZ-OE2 2.8Å; R381-E385 VanDerWaalsContact NE-CD 3.31Å; R381-E385 IonicContact NE-OE1 3.98Å; R381-E385 PolarHBondContact NE-OE1 2.74Å; R381-E385 IonicContact NE-OE2 3.6Å; R381-E385 PolarHBondContact NE-OE2 3.19Å; R381-E385 IonicContact NH2-OE1 3.68Å; R381-E385 PolarHBondContact NH2-OE1 3.02Å; R381-E385 IonicContact NH2-OE2 2.71Å; R381-E385 PolarHBondContact NH2-OE2 3.14Å; R381-E385 WeakPolarHBondContact O-CB 3.35Å; R381-E385 PolarHBondContact O-N 3.47Å
382L79.1Confident78.3Confident52 Ų5259.9 Ų59.927%0.27231%0.305SS..Hα-helixtrans-64.8-44.1-179-167.381.6000111.5Y149 Y150 V153 K378 E380 F384 L386Y149-L382 HydrophobicContact CE1-CD2 4.02Å; Y149-L382 WeakPolarHBondContact OH-CB 3.45Å; Y150-L382 HydrophobicContact CD1-CD2 4.4Å; Y150-L382 HydrophobicContact CE1-CD2 4.34Å; V153-L382 HydrophobicContact CB-CD2 4.46Å; V153-L382 HydrophobicContact CG1-CD2 3.89Å; V153-L382 HydrophobicContact CG1-CG 4.08Å; V153-L382 HydrophobicContact CG2-CD2 4.44Å; K378-L382 VanDerWaalsContact O-CB 3.31Å; K378-L382 WeakPolarHBondContact O-CB 3.25Å; K378-L382 PolarHBondContact O-N 2.98Å; E380-L382 PolarHBondContact O-N 2.98Å; L382-F384 VanDerWaalsContact C-N 3.32Å; L382-F384 PolarHBondContact O-N 3.48Å; L382-L386 HydrophobicContact CD1-CD1 3.66Å; L382-L386 HydrophobicContact CD1-CD2 3.77Å; L382-L386 HydrophobicContact CD1-CG 4.35Å; L382-L386 HydrophobicContact CG-CD1 4.19Å; L382-L386 HydrophobicContact CG-CD2 4.13Å; L382-L386 WeakPolarHBondContact O-CB 3.39Å; L382-L386 PolarHBondContact O-N 3.4Å
383V80.6Confident79.3Confident64 Ų6458.6 Ų58.639%0.38830%0.296SS..Hα-helixtrans-61.2-41174.7171.60000111.2Y149 V153 R379 E380 G387Y149-V383 HydrophobicContact CE2-CG2 3.71Å; V153-V383 HydrophobicContact CG2-CG2 3.82Å; R379-V383 VanDerWaalsContact O-CG2 3.3Å; R379-V383 WeakPolarHBondContact O-CG2 3.47Å; E380-V383 PolarHBondContact O-N 3.37Å; V383-G387 WeakPolarHBondContact O-CA 3.39Å; V383-G387 PolarHBondContact O-N 3.07Å
384F82.4Confident80.5Confident70 Ų7058 Ų5831%0.30729%0.285SS..Hα-helixtrans-73.1-51.7-178.6-168.9-97.3000112.8H365 V368 F369 E380 R381 L382 L388H365-F384 HydrophobicContact CB-CE1 3.83Å; H365-F384 HydrophobicContact CB-CZ 4.19Å; H365-F384 WeakPolarHBondContact O-CE1 3.12Å; V368-F384 HydrophobicContact CB-CE1 4.31Å; V368-F384 HydrophobicContact CG2-CE1 4.27Å; V368-F384 HydrophobicContact CG2-CZ 4.46Å; F369-F384 AromaticContact CD2-CD1 3.83Å; F369-F384 HydrophobicContact CD2-CD1 3.83Å; F369-F384 HydrophobicContact CD2-CE1 4.4Å; F369-F384 HydrophobicContact CD2-CG 4.43Å; F369-F384 HydrophobicContact CE2-CB 3.86Å; F369-F384 AromaticContact CE2-CD1 3.62Å; F369-F384 HydrophobicContact CE2-CD1 3.62Å; F369-F384 HydrophobicContact CE2-CE1 4.25Å; F369-F384 AromaticContact CE2-CG 3.8Å; F369-F384 HydrophobicContact CE2-CG 3.8Å; E380-F384 WeakPolarHBondContact O-CB 3.5Å; E380-F384 PolarHBondContact O-N 3.16Å; R381-F384 PolarHBondContact O-N 2.93Å; L382-F384 VanDerWaalsContact C-N 3.32Å; L382-F384 PolarHBondContact O-N 3.48Å; F384-L388 HydrophobicContact CD1-CD1 4.39Å; F384-L388 HydrophobicContact CD2-CD1 3.7Å; F384-L388 HydrophobicContact CE1-CD1 4.2Å; F384-L388 HydrophobicContact CE2-CD1 3.45Å; F384-L388 VanDerWaalsContact CE2-CD1 3.45Å; F384-L388 HydrophobicContact CG-CD1 4.17Å; F384-L388 HydrophobicContact CZ-CD1 3.73Å; F384-L388 VanDerWaalsContact O-CB 3.28Å; F384-L388 WeakPolarHBondContact O-CB 3.34Å; F384-L388 WeakPolarHBondContact O-CG 3.41Å; F384-L388 PolarHBondContact O-N 2.85Å
385E82.8Confident81.7Confident20 Ų2057 Ų579%0.09328%0.283CS..Hα-helixtrans-70.6-44.3-177.2-71.8-174.7-174.700112.9Y366 F369 R381 G389Y366-E385 HydrophobicContact CD1-CG 4.26Å; F369-E385 WeakPolarHBondContact CB-OE1 3.31Å; R381-E385 HydrophobicContact CG-CG 4.18Å; R381-E385 IonicContact CZ-OE1 3.71Å; R381-E385 IonicContact CZ-OE2 2.8Å; R381-E385 VanDerWaalsContact NE-CD 3.31Å; R381-E385 IonicContact NE-OE1 3.98Å; R381-E385 PolarHBondContact NE-OE1 2.74Å; R381-E385 IonicContact NE-OE2 3.6Å; R381-E385 PolarHBondContact NE-OE2 3.19Å; R381-E385 IonicContact NH2-OE1 3.68Å; R381-E385 PolarHBondContact NH2-OE1 3.02Å; R381-E385 IonicContact NH2-OE2 2.71Å; R381-E385 PolarHBondContact NH2-OE2 3.14Å; R381-E385 WeakPolarHBondContact O-CB 3.35Å; R381-E385 PolarHBondContact O-N 3.47Å; E385-G389 WeakPolarHBondContact O-CA 3.4Å; E385-G389 PolarHBondContact O-N 3.37Å
386L82.8Confident83.1Confident45 Ų4551.3 Ų51.324%0.23625%0.253CS..Hα-helixtrans-82.1-36.9-179.7-73.963.4000110.9V153 Y157 L382 S390V153-L386 HydrophobicContact CG1-CD2 4.34Å; Y157-L386 HydrophobicContact CD1-CB 4.23Å; Y157-L386 HydrophobicContact CD1-CD2 3.71Å; Y157-L386 HydrophobicContact CD1-CG 4.5Å; Y157-L386 HydrophobicContact CE1-CD2 3.94Å; L382-L386 HydrophobicContact CD1-CD1 3.66Å; L382-L386 HydrophobicContact CD1-CD2 3.77Å; L382-L386 HydrophobicContact CD1-CG 4.35Å; L382-L386 HydrophobicContact CG-CD1 4.19Å; L382-L386 HydrophobicContact CG-CD2 4.13Å; L382-L386 WeakPolarHBondContact O-CB 3.39Å; L382-L386 PolarHBondContact O-N 3.4Å; L386-S390 WeakPolarHBondContact O-CB 3.16Å; L386-S390 PolarHBondContact O-N 3.11Å; L386-S390 PolarHBondContact O-OG 3.16Å
387G82.9Confident84.6Confident6 Ų647.7 Ų47.76%0.06223%0.231CC..Hα-helixtrans-60.8-66.317400000111.5V383 G389 S390 F391V383-G387 WeakPolarHBondContact O-CA 3.39Å; V383-G387 PolarHBondContact O-N 3.07Å; G387-G389 PolarHBondContact O-N 3.43Å; G387-S390 PolarHBondContact O-N 3.15Å; G387-S390 PolarHBondContact O-OG 2.97Å; G387-F391 WeakPolarHBondContact O-CD2 3.05Å
388L82.7Confident85.8Confident91 Ų9147.2 Ų47.248%0.47623%0.226SC..Hα-helixtrans-68-36.9-178.1-58.4179.7000112.2F384 S390 F391 Q392F384-L388 HydrophobicContact CD1-CD1 4.39Å; F384-L388 HydrophobicContact CD2-CD1 3.7Å; F384-L388 HydrophobicContact CE1-CD1 4.2Å; F384-L388 HydrophobicContact CE2-CD1 3.45Å; F384-L388 VanDerWaalsContact CE2-CD1 3.45Å; F384-L388 HydrophobicContact CG-CD1 4.17Å; F384-L388 HydrophobicContact CZ-CD1 3.73Å; F384-L388 VanDerWaalsContact O-CB 3.28Å; F384-L388 WeakPolarHBondContact O-CB 3.34Å; F384-L388 WeakPolarHBondContact O-CG 3.41Å; F384-L388 PolarHBondContact O-N 2.85Å; L388-S390 PolarHBondContact O-N 3.47Å; L388-F391 PolarHBondContact O-N 3.5Å; L388-Q392 PolarHBondContact O-N 3.26Å
389G86.8Confident86.7Confident1 Ų142.6 Ų42.61%0.0121%0.207CC..Hα-helixtrans-64.7-34.617900000113.9Y366 E385 G387 Q392Y366-G389 WeakPolarHBondContact OH-CA 3.44Å; E385-G389 WeakPolarHBondContact O-CA 3.4Å; E385-G389 PolarHBondContact O-N 3.37Å; G387-G389 PolarHBondContact O-N 3.43Å; G389-Q392 WeakPolarHBondContact O-CB 3.46Å; G389-Q392 PolarHBondContact O-N 3.41Å
390S92.3Very high87.5Confident1 Ų139.7 Ų39.71%0.00720%0.196CC..Hα-helixtrans-70.3-32.6177.3650000113.2G160 S164 L386 G387 L388G160-S390 CarbonylContact C-O 3.55Å; G160-S390 VanDerWaalsContact C-O 3.29Å; S164-S390 PolarHBondContact OG-O 3.17Å; L386-S390 WeakPolarHBondContact O-CB 3.16Å; L386-S390 PolarHBondContact O-N 3.11Å; L386-S390 PolarHBondContact O-OG 3.16Å; G387-S390 PolarHBondContact O-N 3.15Å; G387-S390 PolarHBondContact O-OG 2.97Å; L388-S390 PolarHBondContact O-N 3.47Å
391F92.8Very high88.3Confident64 Ų6433.7 Ų33.728%0.28117%0.168SC..Hα-helixtrans-84.3-8.6171.9-72-81.4000113.9L156 V159 G387 L388 G393 F394 V395L156-F391 HydrophobicContact CD1-CE2 4.19Å; V159-F391 HydrophobicContact CG1-CZ 4.27Å; G387-F391 WeakPolarHBondContact O-CD2 3.05Å; L388-F391 PolarHBondContact O-N 3.5Å; F391-G393 VanDerWaalsContact C-N 3.29Å; F391-G393 PolarHBondContact O-N 2.89Å; F391-F394 WeakPolarHBondContact O-CB 3.3Å; F391-F394 PolarHBondContact O-N 3.38Å; F391-F394 VanDerWaalsContact O-N 3.17Å; F391-V395 PolarHBondContact O-N 3.37Å; F391-V395 VanDerWaalsContact O-N 3.08Å
392Q92.7Very high88.9Confident3 Ų334.4 Ų34.41%0.01417%0.173CC..Hα-helixtrans-55.6-43.1-179.8-167-172.44.100112F196 P360 Y366 L388 G389 F394 V395 V396F196-Q392 HydrophobicContact CE1-CB 4Å; F196-Q392 HydrophobicContact CE1-CG 4.01Å; F196-Q392 HydrophobicContact CZ-CB 4.22Å; F196-Q392 HydrophobicContact CZ-CG 3.76Å; P360-Q392 VanDerWaalsContact O-CG 3.32Å; P360-Q392 WeakPolarHBondContact O-CG 3.41Å; P360-Q392 PolarHBondContact O-NE2 3.49Å; Y366-Q392 PolarHBondContact OH-OE1 2.82Å; L388-Q392 PolarHBondContact O-N 3.26Å; G389-Q392 WeakPolarHBondContact O-CB 3.46Å; G389-Q392 PolarHBondContact O-N 3.41Å; Q392-F394 PolarHBondContact O-N 3.09Å; Q392-V395 PolarHBondContact O-N 3.17Å; Q392-V396 WeakPolarHBondContact O-CB 3.28Å; Q392-V396 VanDerWaalsContact O-CG2 3.29Å; Q392-V396 WeakPolarHBondContact O-CG2 2.96Å; Q392-V396 PolarHBondContact O-N 3.18Å
393G94.2Very high89.5Confident0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-62.4-41.417800000113.6F391 V396 A397F391-G393 VanDerWaalsContact C-N 3.29Å; F391-G393 PolarHBondContact O-N 2.89Å; G393-V396 PolarHBondContact O-N 2.89Å; G393-A397 WeakPolarHBondContact O-CB 3.44Å; G393-A397 PolarHBondContact O-N 3.35Å
394F94.6Very high90Very high72 Ų7235.5 Ų35.532%0.31618%0.176SC..Hα-helixtrans-59.8-48.6173162.3-104.7000111.4T163 S164 T167 F391 Q392 V396 A397 V398T163-F394 HydrophobicContact CG2-CB 4.37Å; T163-F394 HydrophobicContact CG2-CD2 3.82Å; T163-F394 HydrophobicContact CG2-CE2 4.29Å; T163-F394 HydrophobicContact CG2-CG 4.07Å; S164-F394 PolarHBondContact OG-N 3.21Å; T167-F394 HydrophobicContact CG2-CD2 3.79Å; T167-F394 HydrophobicContact CG2-CE2 4.13Å; F391-F394 WeakPolarHBondContact O-CB 3.3Å; F391-F394 PolarHBondContact O-N 3.38Å; F391-F394 VanDerWaalsContact O-N 3.17Å; Q392-F394 PolarHBondContact O-N 3.09Å; F394-V396 PolarHBondContact O-N 2.88Å; F394-A397 PolarHBondContact O-N 2.85Å; F394-V398 HydrophobicContact CD2-CG2 4.1Å; F394-V398 HydrophobicContact CE1-CG2 4.47Å; F394-V398 HydrophobicContact CE2-CG2 3.7Å; F394-V398 HydrophobicContact CZ-CG2 3.91Å; F394-V398 WeakPolarHBondContact O-CG2 3.29Å; F394-V398 PolarHBondContact O-N 2.79Å
395V92.8Very high90.3Very high46 Ų4634.5 Ų34.528%0.27919%0.186SC..Hα-helixtrans-60.7-48.4178.2176.50000110.5P360 F391 Q392 A397 V398 L399P360-V395 HydrophobicContact CB-CG1 4.1Å; P360-V395 HydrophobicContact CG-CG1 3.84Å; F391-V395 PolarHBondContact O-N 3.37Å; F391-V395 VanDerWaalsContact O-N 3.08Å; Q392-V395 PolarHBondContact O-N 3.17Å; V395-A397 VanDerWaalsContact C-N 3.33Å; V395-A397 PolarHBondContact O-N 2.82Å; V395-V398 PolarHBondContact O-N 2.65Å; V395-V398 VanDerWaalsContact O-N 3.16Å; V395-L399 HydrophobicContact CG1-CD1 3.81Å; V395-L399 HydrophobicContact CG1-CG 4.27Å; V395-L399 VanDerWaalsContact O-CG 3.29Å; V395-L399 WeakPolarHBondContact O-CG 3.48Å; V395-L399 PolarHBondContact O-N 2.69Å
396V93.3Very high90.7Very high1 Ų137.8 Ų37.81%0.00620%0.201CC..Hα-helixtrans-57.4-43.2177.1166.70000111.8L192 F193 F196 L361 Q392 G393 F394 L399 Y400L192-V396 HydrophobicContact CD2-CG1 4.04Å; F193-V396 HydrophobicContact CD1-CG1 4Å; F193-V396 HydrophobicContact CE1-CG1 3.63Å; F196-V396 HydrophobicContact CE2-CB 4.36Å; F196-V396 HydrophobicContact CE2-CG1 4.31Å; F196-V396 HydrophobicContact CE2-CG2 4.1Å; F196-V396 HydrophobicContact CZ-CG2 4.41Å; L361-V396 HydrophobicContact CD1-CG2 4.1Å; Q392-V396 WeakPolarHBondContact O-CB 3.28Å; Q392-V396 VanDerWaalsContact O-CG2 3.29Å; Q392-V396 WeakPolarHBondContact O-CG2 2.96Å; Q392-V396 PolarHBondContact O-N 3.18Å; G393-V396 PolarHBondContact O-N 2.89Å; F394-V396 PolarHBondContact O-N 2.88Å; V396-L399 PolarHBondContact O-N 2.83Å; V396-Y400 HydrophobicContact CG1-CD2 4.49Å; V396-Y400 PolarHBondContact O-N 3.02Å
397A94.2Very high91.2Very high0 Ų035.7 Ų35.70%019%0.19CC..Hα-helixtrans-63.6-43.2175.800000112.6L168 A171 G393 F394 V395 C401 F402L168-A397 HydrophobicContact CD2-CB 3.91Å; L168-A397 HydrophobicContact CG-CB 4.2Å; A171-A397 HydrophobicContact CB-CB 4.24Å; G393-A397 WeakPolarHBondContact O-CB 3.44Å; G393-A397 PolarHBondContact O-N 3.35Å; F394-A397 PolarHBondContact O-N 2.85Å; V395-A397 VanDerWaalsContact C-N 3.33Å; V395-A397 PolarHBondContact O-N 2.82Å; A397-C401 WeakPolarHBondContact O-CA 3.45Å; A397-C401 VanDerWaalsContact O-CB 3.26Å; A397-C401 WeakPolarHBondContact O-CB 3.46Å; A397-C401 PolarHBondContact O-N 3.03Å; A397-F402 HydrophobicContact CB-CE2 4.35Å; A397-F402 WeakPolarHBondContact O-CD2 3.43Å; A397-F402 PolarHBondContact O-N 2.79Å
398V93.2Very high91.8Very high39 Ų3939.9 Ų39.924%0.23621%0.208CC..Iπ-helixtrans-60.6-44.9176.7168.90000111.2F394 V395 F402 L403F394-V398 HydrophobicContact CD2-CG2 4.1Å; F394-V398 HydrophobicContact CE1-CG2 4.47Å; F394-V398 HydrophobicContact CE2-CG2 3.7Å; F394-V398 HydrophobicContact CZ-CG2 3.91Å; F394-V398 WeakPolarHBondContact O-CG2 3.29Å; F394-V398 PolarHBondContact O-N 2.79Å; V395-V398 PolarHBondContact O-N 2.65Å; V395-V398 VanDerWaalsContact O-N 3.16Å; V398-F402 PolarHBondContact O-N 3.4Å; V398-L403 HydrophobicContact CG1-CD1 3.74Å; V398-L403 HydrophobicContact CG1-CG 3.97Å; V398-L403 WeakPolarHBondContact O-CB 3.33Å; V398-L403 WeakPolarHBondContact O-CG 3.49Å; V398-L403 PolarHBondContact O-N 2.83Å
399L90.7Very high92.3Very high29 Ų2938 Ų3815%0.15221%0.206CC..Iπ-helixtrans-73.3-52.4-176.6-61.2178.1000112.8L357 V395 V396 L403L357-L399 HydrophobicContact CB-CD1 4.08Å; L357-L399 HydrophobicContact CD1-CD2 4.1Å; L357-L399 HydrophobicContact CD2-CD1 3.87Å; L357-L399 HydrophobicContact CD2-CD2 3.47Å; L357-L399 VanDerWaalsContact CD2-CD2 3.47Å; L357-L399 HydrophobicContact CD2-CG 4.32Å; L357-L399 HydrophobicContact CG-CD1 4.44Å; L357-L399 HydrophobicContact CG-CD2 4.26Å; V395-L399 HydrophobicContact CG1-CD1 3.81Å; V395-L399 HydrophobicContact CG1-CG 4.27Å; V395-L399 VanDerWaalsContact O-CG 3.29Å; V395-L399 WeakPolarHBondContact O-CG 3.48Å; V395-L399 PolarHBondContact O-N 2.69Å; V396-L399 PolarHBondContact O-N 2.83Å; L399-L403 HydrophobicContact CD2-CD1 4.28Å
400Y89.2Confident92.6Very high49 Ų4938.5 Ų38.519%0.19221%0.208CC..Iπ-helixtrans-86.5-18.4-173.1-76.4-32.6000115.5H189 E247 L361 V396 N404H189-Y400 AromaticContact CE1-CD2 3.45Å; H189-Y400 VanDerWaalsContact CE1-CD2 3.45Å; H189-Y400 WeakPolarHBondContact CE1-CD2 3.13Å; H189-Y400 AromaticContact CE1-CE1 3.86Å; H189-Y400 AromaticContact CE1-CE2 3.12Å; H189-Y400 WeakPolarHBondContact CE1-CE2 3.3Å; H189-Y400 AromaticContact CE1-CG 3.91Å; H189-Y400 AromaticContact CE1-CZ 3.35Å; H189-Y400 AromaticContact CG-CD2 3.94Å; H189-Y400 AromaticContact ND1-CD2 3.48Å; H189-Y400 WeakPolarHBondContact ND1-CD2 3.4Å; H189-Y400 AromaticContact ND1-CE2 3.41Å; H189-Y400 WeakPolarHBondContact ND1-CE2 3.43Å; H189-Y400 AromaticContact NE2-CD1 3.9Å; H189-Y400 AromaticContact NE2-CD2 3.89Å; H189-Y400 AromaticContact NE2-CE1 3.94Å; H189-Y400 AromaticContact NE2-CE2 3.89Å; H189-Y400 AromaticContact NE2-CG 3.88Å; H189-Y400 AromaticContact NE2-CZ 3.91Å; E247-Y400 WeakPolarHBondContact OE2-CE2 2.94Å; L361-Y400 HydrophobicContact CD1-CD2 3.87Å; L361-Y400 HydrophobicContact CD1-CE2 3.27Å; L361-Y400 HydrophobicContact CD2-CE2 3.89Å; L361-Y400 WeakPolarHBondContact CD2-OH 3.33Å; L361-Y400 HydrophobicContact CG-CE2 4.07Å; V396-Y400 HydrophobicContact CG1-CD2 4.49Å; V396-Y400 PolarHBondContact O-N 3.02Å; Y400-N404 VanDerWaalsContact O-CB 3.23Å; Y400-N404 WeakPolarHBondContact O-CB 3.28Å; Y400-N404 PolarHBondContact O-ND2 2.72Å
401C93.4Very high92.6Very high0 Ų041.8 Ų41.80%023%0.225CC..Iπ-helixtrans-108.8-62.1174.5-1590000112.8A171 F193 A397 V407A171-C401 HydrophobicContact CB-CB 3.57Å; F193-C401 HydrophobicContact CE2-CB 4.43Å; A397-C401 WeakPolarHBondContact O-CA 3.45Å; A397-C401 VanDerWaalsContact O-CB 3.26Å; A397-C401 WeakPolarHBondContact O-CB 3.46Å; A397-C401 PolarHBondContact O-N 3.03Å; C401-V407 VanDerWaalsContact O-CB 3.3Å; C401-V407 WeakPolarHBondContact O-CB 3.24Å; C401-V407 WeakPolarHBondContact O-CG1 3.43Å
402F93.7Very high92.6Very high69 Ų6945.3 Ų45.330%0.30324%0.24SC..Iπ-helixtrans-77.9-35-165.7-62.4-74.6000114.3T170 A171 I174 A397 V398 Q408T170-F402 HydrophobicContact CG2-CE1 4.02Å; T170-F402 HydrophobicContact CG2-CZ 3.76Å; A171-F402 HydrophobicContact CB-CE2 4.06Å; A171-F402 HydrophobicContact CB-CZ 4.31Å; I174-F402 HydrophobicContact CD1-CD1 4.36Å; I174-F402 HydrophobicContact CD1-CE1 3.72Å; I174-F402 HydrophobicContact CD1-CZ 4.37Å; A397-F402 HydrophobicContact CB-CE2 4.35Å; A397-F402 WeakPolarHBondContact O-CD2 3.43Å; A397-F402 PolarHBondContact O-N 2.79Å; V398-F402 PolarHBondContact O-N 3.4Å; F402-Q408 WeakPolarHBondContact O-CG 3.46Å; F402-Q408 PolarHBondContact O-NE2 3.21Å
403L91.1Very high92.6Very high107 Ų10751.4 Ų51.456%0.5626%0.263SS*.SBendtrans-93.7-5176.2-64.2-177.7000113.9V398 L399 G405V398-L403 HydrophobicContact CG1-CD1 3.74Å; V398-L403 HydrophobicContact CG1-CG 3.97Å; V398-L403 WeakPolarHBondContact O-CB 3.33Å; V398-L403 WeakPolarHBondContact O-CG 3.49Å; V398-L403 PolarHBondContact O-N 2.83Å; L399-L403 HydrophobicContact CD2-CD1 4.28Å; L403-G405 PolarHBondContact O-N 3.43Å
404N90.4Very high92.5Very high32 Ų3257.2 Ų57.217%0.17129%0.288CS..  trans-69.5119.6179.6-179.3-18.9000111.2Y400 E406 V407 Q408Y400-N404 VanDerWaalsContact O-CB 3.23Å; Y400-N404 WeakPolarHBondContact O-CB 3.28Å; Y400-N404 PolarHBondContact O-ND2 2.72Å; N404-E406 VanDerWaalsContact C-N 3.28Å; N404-E406 PolarHBondContact O-N 3.46Å; N404-E406 WeakPolarHBondContact OD1-CB 3.44Å; N404-E406 PolarHBondContact OD1-N 2.83Å; N404-V407 HydrophobicContact CB-CB 4.22Å; N404-V407 HydrophobicContact CB-CG2 3.8Å; N404-V407 WeakPolarHBondContact O-CB 3.34Å; N404-V407 PolarHBondContact O-N 3.3Å; N404-V407 VanDerWaalsContact O-N 3.08Å; N404-Q408 WeakPolarHBondContact O-CG 3.29Å; N404-Q408 PolarHBondContact O-N 2.79Å
405G90.1Very high92.3Very high49 Ų4960.9 Ų60.951%0.50530%0.3SS..Hα-helixtrans-59.4-32.1-176.300000114.5L403 A409L403-G405 PolarHBondContact O-N 3.43Å; G405-A409 WeakPolarHBondContact O-CB 3.01Å; G405-A409 PolarHBondContact O-N 2.94Å
406E91.7Very high92.4Very high90 Ų9065.4 Ų65.442%0.42131%0.312SS..Hα-helixtrans-65.1-45.8174.8-63.1179.9-167.900111L181 R185 N404 A409 E410L181-E406 HydrophobicContact CD2-CB 4.39Å; R185-E406 IonicContact NH1-OE1 3.23Å; N404-E406 VanDerWaalsContact C-N 3.28Å; N404-E406 PolarHBondContact O-N 3.46Å; N404-E406 WeakPolarHBondContact OD1-CB 3.44Å; N404-E406 PolarHBondContact OD1-N 2.83Å; E406-A409 PolarHBondContact O-N 3.29Å; E406-E410 WeakPolarHBondContact O-CG 3.46Å; E406-E410 PolarHBondContact O-N 3.31Å
407V93.3Very high92.3Very high1 Ų167.8 Ų67.81%0.00633%0.328CS..Hα-helixtrans-66.1-46.1179.5-175.40000110.3I174 L175 L181 C401 N404 A409 E410 I411I174-V407 HydrophobicContact CG2-CG1 3.64Å; L175-V407 HydrophobicContact CD2-CG2 4.45Å; L181-V407 HydrophobicContact CD1-CG1 4.43Å; L181-V407 HydrophobicContact CD1-CG2 4.01Å; C401-V407 VanDerWaalsContact O-CB 3.3Å; C401-V407 WeakPolarHBondContact O-CB 3.24Å; C401-V407 WeakPolarHBondContact O-CG1 3.43Å; N404-V407 HydrophobicContact CB-CB 4.22Å; N404-V407 HydrophobicContact CB-CG2 3.8Å; N404-V407 WeakPolarHBondContact O-CB 3.34Å; N404-V407 PolarHBondContact O-N 3.3Å; N404-V407 VanDerWaalsContact O-N 3.08Å; V407-A409 PolarHBondContact O-N 3.44Å; V407-E410 PolarHBondContact O-N 2.96Å; V407-I411 HydrophobicContact CG1-CD1 3.85Å; V407-I411 HydrophobicContact CG1-CG1 4.44Å; V407-I411 WeakPolarHBondContact O-CG1 3.31Å; V407-I411 PolarHBondContact O-N 3.09Å
408Q93.7Very high92.1Very high94 Ų9473.9 Ų73.944%0.43935%0.351SS..Hα-helixtrans-61.5-41.5175.8-69.2-171.20.200112.2F402 N404 E410 K412F402-Q408 WeakPolarHBondContact O-CG 3.46Å; F402-Q408 PolarHBondContact O-NE2 3.21Å; N404-Q408 WeakPolarHBondContact O-CG 3.29Å; N404-Q408 PolarHBondContact O-N 2.79Å; Q408-E410 PolarHBondContact O-N 3.33Å; Q408-K412 WeakPolarHBondContact O-CB 3.49Å; Q408-K412 PolarHBondContact O-N 3.35Å
409A93.9Very high92.1Very high51 Ų5176.5 Ų76.542%0.42136%0.36SS..Hα-helixtrans-62.7-41175.900000111.9G405 E406 V407 K412 R413G405-A409 WeakPolarHBondContact O-CB 3.01Å; G405-A409 PolarHBondContact O-N 2.94Å; E406-A409 PolarHBondContact O-N 3.29Å; V407-A409 PolarHBondContact O-N 3.44Å; A409-K412 PolarHBondContact O-N 2.92Å; A409-R413 VanDerWaalsContact O-CB 3.27Å; A409-R413 WeakPolarHBondContact O-CB 3.31Å; A409-R413 PolarHBondContact O-N 2.87Å
410E93.4Very high92Very high12 Ų1278.6 Ų78.66%0.05637%0.374CS..Hα-helixtrans-70.9-40.7177.5-76.7-57.8134.500113.4K180 L181 E406 V407 Q408 R413 K414K180-E410 WeakPolarHBondContact CD-OE1 3.03Å; K180-E410 WeakPolarHBondContact CE-OE1 3.19Å; K180-E410 IonicContact NZ-OE1 3.05Å; K180-E410 PolarHBondContact NZ-OE1 2.69Å; L181-E410 HydrophobicContact CD2-CG 4.2Å; E406-E410 WeakPolarHBondContact O-CG 3.46Å; E406-E410 PolarHBondContact O-N 3.31Å; V407-E410 PolarHBondContact O-N 2.96Å; Q408-E410 PolarHBondContact O-N 3.33Å; E410-R413 VanDerWaalsContact CD-NE 3.3Å; E410-R413 WeakPolarHBondContact O-CB 3.44Å; E410-R413 PolarHBondContact O-N 2.86Å; E410-R413 IonicContact OE1-CZ 3.45Å; E410-R413 IonicContact OE1-NE 3Å; E410-R413 PolarHBondContact OE1-NE 2.94Å; E410-R413 IonicContact OE1-NH2 2.73Å; E410-R413 PolarHBondContact OE1-NH2 2.89Å; E410-R413 IonicContact OE2-CZ 3.17Å; E410-R413 IonicContact OE2-NE 2.85Å; E410-R413 PolarHBondContact OE2-NE 2.03Å; E410-R413 IonicContact OE2-NH2 3.45Å; E410-R413 PolarHBondContact OE2-NH2 2.89Å; E410-K414 PolarHBondContact O-N 2.98Å
411I92.1Very high91.9Very high70 Ų7081.2 Ų81.236%0.35939%0.391SS..Hα-helixtrans-60.4-48.7171.2-69.1170.2000109.6F178 V407 R413 K414 W415F178-I411 HydrophobicContact CE2-CG1 3.86Å; F178-I411 HydrophobicContact CZ-CG1 4.14Å; V407-I411 HydrophobicContact CG1-CD1 3.85Å; V407-I411 HydrophobicContact CG1-CG1 4.44Å; V407-I411 WeakPolarHBondContact O-CG1 3.31Å; V407-I411 PolarHBondContact O-N 3.09Å; I411-R413 VanDerWaalsContact C-N 3.26Å; I411-R413 PolarHBondContact O-N 2.85Å; I411-K414 PolarHBondContact O-N 3.43Å; I411-W415 VanDerWaalsContact O-CB 3.26Å; I411-W415 WeakPolarHBondContact O-CB 3.46Å; I411-W415 PolarHBondContact O-N 2.92Å
412K93.5Very high91.4Very high137 Ų13788.2 Ų88.260%0.59642%0.417SS*.Hα-helixtrans-64.3-26.7176.7-168.9173-175.6174.10112.7Q408 A409 R416Q408-K412 WeakPolarHBondContact O-CB 3.49Å; Q408-K412 PolarHBondContact O-N 3.35Å; A409-K412 PolarHBondContact O-N 2.92Å; K412-R416 WeakPolarHBondContact O-CB 3.27Å; K412-R416 VanDerWaalsContact O-CG 3.3Å; K412-R416 WeakPolarHBondContact O-CG 3.2Å; K412-R416 PolarHBondContact O-N 2.8Å; K412-R416 PolarHBondContact O-NE 3.01Å
413R92.8Very high90.5Very high131 Ų13192 Ų9249%0.49443%0.431SS..Hα-helixtrans-73-50.3172.3-173171.276.6122.3-2111A409 E410 I411 R416 S417A409-R413 VanDerWaalsContact O-CB 3.27Å; A409-R413 WeakPolarHBondContact O-CB 3.31Å; A409-R413 PolarHBondContact O-N 2.87Å; E410-R413 VanDerWaalsContact CD-NE 3.3Å; E410-R413 WeakPolarHBondContact O-CB 3.44Å; E410-R413 PolarHBondContact O-N 2.86Å; E410-R413 IonicContact OE1-CZ 3.45Å; E410-R413 IonicContact OE1-NE 3Å; E410-R413 PolarHBondContact OE1-NE 2.94Å; E410-R413 IonicContact OE1-NH2 2.73Å; E410-R413 PolarHBondContact OE1-NH2 2.89Å; E410-R413 IonicContact OE2-CZ 3.17Å; E410-R413 IonicContact OE2-NE 2.85Å; E410-R413 PolarHBondContact OE2-NE 2.03Å; E410-R413 IonicContact OE2-NH2 3.45Å; E410-R413 PolarHBondContact OE2-NH2 2.89Å; I411-R413 VanDerWaalsContact C-N 3.26Å; I411-R413 PolarHBondContact O-N 2.85Å; R413-R416 PolarHBondContact O-N 3.06Å; R413-S417 PolarHBondContact O-N 3.32Å; R413-S417 VanDerWaalsContact O-N 3.08Å
414K90.8Very high89.8Confident122 Ų12292.9 Ų92.953%0.5343%0.43SS..Hα-helixtrans-69.7-36.5-178.8-166.861.8172.7176.40112.5F178 E410 I411 S417 W418F178-K414 HydrophobicContact CE1-CB 4.01Å; F178-K414 HydrophobicContact CE1-CG 4.16Å; F178-K414 HydrophobicContact CZ-CB 4.45Å; E410-K414 PolarHBondContact O-N 2.98Å; I411-K414 PolarHBondContact O-N 3.43Å; K414-S417 PolarHBondContact O-N 2.69Å; K414-W418 WeakPolarHBondContact O-CB 3.35Å; K414-W418 PolarHBondContact O-N 2.7Å
415W92Very high89Confident150 Ų15094.5 Ų94.557%0.56845%0.448SS*.Hα-helixtrans-65.4-42175.2-171.377.5000112.2I411 W418 K419I411-W415 VanDerWaalsContact O-CB 3.26Å; I411-W415 WeakPolarHBondContact O-CB 3.46Å; I411-W415 PolarHBondContact O-N 2.92Å; W415-W418 PolarHBondContact O-N 2.82Å; W415-K419 WeakPolarHBondContact O-CB 3.49Å; W415-K419 PolarHBondContact O-N 2.86Å
416R93.6Very high88Confident141 Ų14196 Ų9653%0.53245%0.447SS..Hα-helixtrans-60.4-47.8171.8-80.5-178.6-72.6174.2-1.9112K412 R413 W418 K419 V420K412-R416 WeakPolarHBondContact O-CB 3.27Å; K412-R416 VanDerWaalsContact O-CG 3.3Å; K412-R416 WeakPolarHBondContact O-CG 3.2Å; K412-R416 PolarHBondContact O-N 2.8Å; K412-R416 PolarHBondContact O-NE 3.01Å; R413-R416 PolarHBondContact O-N 3.06Å; R416-W418 PolarHBondContact O-N 3.38Å; R416-K419 PolarHBondContact O-N 2.89Å; R416-V420 WeakPolarHBondContact O-CG2 3.46Å; R416-V420 PolarHBondContact O-N 3.32Å
417S91.1Very high86.6Confident50 Ų5096.2 Ų96.235%0.3545%0.451SS..Hα-helixtrans-58.3-44.1175.51660000112.4R413 K414 V420 N421R413-S417 PolarHBondContact O-N 3.32Å; R413-S417 VanDerWaalsContact O-N 3.08Å; K414-S417 PolarHBondContact O-N 2.69Å; S417-V420 PolarHBondContact O-N 3.06Å; S417-N421 WeakPolarHBondContact O-CB 3.13Å; S417-N421 PolarHBondContact O-N 3.22Å; S417-N421 PolarHBondContact O-OD1 3.44Å; S417-N421 VanDerWaalsContact O-OD1 3.1Å
418W91.2Very high84.9Confident128 Ų128104.5 Ų104.549%0.48549%0.487SS..Hα-helixtrans-67.8-39.1178177.688.3000112.8K414 W415 R416 N421 R422K414-W418 WeakPolarHBondContact O-CB 3.35Å; K414-W418 PolarHBondContact O-N 2.7Å; W415-W418 PolarHBondContact O-N 2.82Å; R416-W418 PolarHBondContact O-N 3.38Å; W418-N421 PolarHBondContact O-N 3.43Å; W418-R422 VanDerWaalsContact CH2-CZ 3.49Å; W418-R422 WeakPolarHBondContact O-CB 3.31Å; W418-R422 PolarHBondContact O-N 2.84Å
419K91.8Very high83.1Confident95 Ų95108.5 Ų108.541%0.41350%0.503SS..Hα-helixtrans-61.4-46.7174.2-179168.9179.9173.40111W415 R416 R422 Y423W415-K419 WeakPolarHBondContact O-CB 3.49Å; W415-K419 PolarHBondContact O-N 2.86Å; R416-K419 PolarHBondContact O-N 2.89Å; K419-R422 PolarHBondContact O-N 2.88Å; K419-Y423 HydrophobicContact CD-CE2 4.38Å; K419-Y423 HydrophobicContact CG-CD2 4.26Å; K419-Y423 HydrophobicContact CG-CE2 3.78Å; K419-Y423 WeakPolarHBondContact O-CD2 3.45Å; K419-Y423 PolarHBondContact O-N 2.9Å
420V89Confident81.3Confident73 Ų73113.2 Ų113.244%0.44252%0.516SS..Hα-helixtrans-61.3-48.2176171.10000111.3R416 S417 R422 Y423 F424R416-V420 WeakPolarHBondContact O-CG2 3.46Å; R416-V420 PolarHBondContact O-N 3.32Å; S417-V420 PolarHBondContact O-N 3.06Å; V420-R422 PolarHBondContact O-N 2.04Å; V420-Y423 PolarHBondContact O-N 3.37Å; V420-Y423 VanDerWaalsContact O-N 3.15Å; V420-F424 HydrophobicContact CG1-CD2 3.91Å; V420-F424 HydrophobicContact CG1-CE2 3.62Å; V420-F424 WeakPolarHBondContact O-CD2 3.48Å; V420-F424 PolarHBondContact O-N 2.9Å
421N87.1Confident79.2Confident103 Ų103123 Ų12355%0.55155%0.552SS**Hα-helixtrans-61.7-31.9177.5-72.624.5000112.6S417 W418 A425S417-N421 WeakPolarHBondContact O-CB 3.13Å; S417-N421 PolarHBondContact O-N 3.22Å; S417-N421 PolarHBondContact O-OD1 3.44Å; S417-N421 VanDerWaalsContact O-OD1 3.1Å; W418-N421 PolarHBondContact O-N 3.43Å; N421-A425 WeakPolarHBondContact O-CB 3.47Å; N421-A425 PolarHBondContact O-N 3.4Å
422R82.9Confident76.9Confident148 Ų148127.4 Ų127.456%0.55857%0.571SS**Hα-helixtrans-67.7-37.2174.4-89.5-169.8163.3-161.3-1.4113.3W418 K419 V420 A425 V426W418-R422 VanDerWaalsContact CH2-CZ 3.49Å; W418-R422 WeakPolarHBondContact O-CB 3.31Å; W418-R422 PolarHBondContact O-N 2.84Å; K419-R422 PolarHBondContact O-N 2.88Å; V420-R422 PolarHBondContact O-N 2.04Å; R422-A425 PolarHBondContact O-N 3.08Å; R422-V426 WeakPolarHBondContact O-CG2 3.37Å; R422-V426 PolarHBondContact O-N 3.29Å
423Y75.8Confident74.6Confident149 Ų149126.2 Ų126.258%0.58458%0.578SS**Hα-helixtrans-61.9-52.4173.6-77.7-75.7000111K419 V420 A425 V426 D427K419-Y423 HydrophobicContact CD-CE2 4.38Å; K419-Y423 HydrophobicContact CG-CD2 4.26Å; K419-Y423 HydrophobicContact CG-CE2 3.78Å; K419-Y423 WeakPolarHBondContact O-CD2 3.45Å; K419-Y423 PolarHBondContact O-N 2.9Å; V420-Y423 PolarHBondContact O-N 3.37Å; V420-Y423 VanDerWaalsContact O-N 3.15Å; Y423-A425 VanDerWaalsContact C-N 3.28Å; Y423-A425 PolarHBondContact O-N 3.24Å; Y423-V426 WeakPolarHBondContact O-CB 3.42Å; Y423-V426 PolarHBondContact O-N 3.24Å; Y423-D427 PolarHBondContact O-N 3.06Å
424F75.3Confident72.5Confident125 Ų125125.6 Ų125.655%0.54859%0.593SS.*Hα-helixtrans-59.4-36.4177.8-71.4-61.6000113.2V420 V426 D427 F428V420-F424 HydrophobicContact CG1-CD2 3.91Å; V420-F424 HydrophobicContact CG1-CE2 3.62Å; V420-F424 WeakPolarHBondContact O-CD2 3.48Å; V420-F424 PolarHBondContact O-N 2.9Å; F424-V426 VanDerWaalsContact C-N 3.27Å; F424-V426 PolarHBondContact O-N 2.7Å; F424-D427 PolarHBondContact O-N 3.29Å; F424-F428 WeakPolarHBondContact O-CD2 3.36Å; F424-F428 PolarHBondContact O-N 3.09Å
425A73.7Confident70.2Confident66 Ų66128.1 Ų128.155%0.54561%0.612SS.*Hα-helixtrans-66.8-25.6175.500000113.7N421 R422 Y423N421-A425 WeakPolarHBondContact O-CB 3.47Å; N421-A425 PolarHBondContact O-N 3.4Å; R422-A425 PolarHBondContact O-N 3.08Å; Y423-A425 VanDerWaalsContact C-N 3.28Å; Y423-A425 PolarHBondContact O-N 3.24Å
426V70.1Confident67.9Low81 Ų81125.3 Ų125.349%0.49162%0.62SS.*Hα-helixtrans-79.9-43173.7172.30000110.8R422 Y423 F424 F428 K429 H430R422-V426 WeakPolarHBondContact O-CG2 3.37Å; R422-V426 PolarHBondContact O-N 3.29Å; Y423-V426 WeakPolarHBondContact O-CB 3.42Å; Y423-V426 PolarHBondContact O-N 3.24Å; F424-V426 VanDerWaalsContact C-N 3.27Å; F424-V426 PolarHBondContact O-N 2.7Å; V426-F428 PolarHBondContact O-N 3.29Å; V426-K429 PolarHBondContact O-N 2.94Å; V426-K429 VanDerWaalsContact O-N 3.13Å; V426-H430 PolarHBondContact O-N 2.57Å; V426-H430 PolarHBondContact O-ND1 3.07Å
427D61.6Low65.5Low94 Ų94123.7 Ų123.750%0.50363%0.631SS.*Hα-helixtrans-60.4-45.2177.9-72.2-41.4000112.2Y423 F424 K429 H430 R431Y423-D427 PolarHBondContact O-N 3.06Å; F424-D427 PolarHBondContact O-N 3.29Å; D427-K429 PolarHBondContact O-N 2.92Å; D427-H430 PolarHBondContact O-N 3.45Å; D427-H430 VanDerWaalsContact O-N 3.11Å; D427-R431 PolarHBondContact O-N 3.49Å
428F56.9Low63.4Low174 Ų174126.9 Ų126.976%0.76365%0.653SS**Hα-helixtrans-63.5-23177-93.8-79.9000113.6F424 V426F424-F428 WeakPolarHBondContact O-CD2 3.36Å; F424-F428 PolarHBondContact O-N 3.09Å; V426-F428 PolarHBondContact O-N 3.29Å
429K56Low61Low178 Ų178124.2 Ų124.277%0.77467%0.666SS**Hα-helixtrans-85.2-14.7176.4-154178.1-179-1740113.5V426 D427V426-K429 PolarHBondContact O-N 2.94Å; V426-K429 VanDerWaalsContact O-N 3.13Å; D427-K429 PolarHBondContact O-N 2.92Å
430H56.9Low58.6Low151 Ų151126 Ų12670%0.69968%0.684SS**Hα-helixtrans-95.3-17.7176.3-71.785000113.4V426 D427 H432V426-H430 PolarHBondContact O-N 2.57Å; V426-H430 PolarHBondContact O-ND1 3.07Å; D427-H430 PolarHBondContact O-N 3.45Å; D427-H430 VanDerWaalsContact O-N 3.11Å; H430-H432 PolarHBondContact O-N 3.27Å; H430-H432 VanDerWaalsContact O-N 3.17Å
431R48Very low56.2Low216 Ų216130.2 Ų130.282%0.81570%0.704SS**  trans-86.576.1173.7-71.9-172.5174-174.4-1.9112.1D427D427-R431 PolarHBondContact O-N 3.49Å
432H44.1Very low53.8Low163 Ų163129.2 Ų129.276%0.75572%0.718SS**  trans-59.2137.5154.5-99.8-101.3000109.5H430 S434H430-H432 PolarHBondContact O-N 3.27Å; H430-H432 VanDerWaalsContact O-N 3.17Å; H432-S434 PolarHBondContact O-N 3.26Å
433P46.7Very low51.5Low113 Ų113125.4 Ų125.473%0.73473%0.725SS**  trans-78.987.718031.3-34.4000111L435P433-L435 PolarHBondContact O-N 3.06Å
434S48.4Very low50.1Low117 Ų117124.9 Ų124.982%0.81874%0.738SS**  trans-66.7116.1173.6-58.10000111.3H432 A436H432-S434 PolarHBondContact O-N 3.26Å; S434-A436 PolarHBondContact O-N 2.82Å
435L42.1Very low48.4Very low176 Ų176125.7 Ų125.792%0.92174%0.743SS**  trans-70113.2172-87.569.1000110.9P433P433-L435 PolarHBondContact O-N 3.06Å
436A43.5Very low46.9Very low90 Ų90130.5 Ų130.574%0.74476%0.759SS**  trans-151.497.215700000106.6S434S434-A436 PolarHBondContact O-N 2.82Å
437S44.3Very low45.6Very low108 Ų108131.7 Ų131.776%0.75577%0.771SS**  76.9124.371.1-170.70000113.5
438S45.9Very low44.8Very low116 Ų116133.1 Ų133.181%0.81178%0.777SS**  trans53.7117.7153.454.50000119.9
439G40.1Very low44.2Very low73 Ų73132.8 Ų132.875%0.75378%0.782SS**  trans15366.8152.400000119.6
440V42.2Very low43.7Very low131 Ų131129.9 Ų129.979%0.79478%0.784SS**  trans44.1121.2140.8178.40000120.6
441N37.9Very low42.9Very low162 Ų162132.1 Ų132.187%0.86679%0.792SS**  trans47.695.4151.5-58.5-6000119.9
442G36.6Very low42.4Very low83 Ų83127.4 Ų127.486%0.85679%0.792SS**  trans-158.3107158.800000110.3
443G36.5Very low42.3Very low68 Ų68125 Ų12570%0.70179%0.793SS**  trans-92.1159.8-168.500000115.5
444T46.2Very low42.2Very low138 Ų138125 Ų12585%0.84780%0.797SS**  trans76.2147.3158.68.50000120.3
445Q39.9Very low41.8Very low142 Ų142128.4 Ų128.466%0.66480%0.8SS**  trans66.975.6158-59.6-70.63.500118.8
446L40.9Very low41.6Very low167 Ų167127.8 Ų127.887%0.87480%0.795SS**  trans-13959.2164.1-132.1164.7000113.1
447S42.7Very low41.3Very low105 Ų105134.7 Ų134.773%0.73480%0.802SS**SBendtrans-137.9-6.2-179.357.60000116.1
448I46.1Very low41Very low124 Ų124138.7 Ų138.764%0.63681%0.811SS**SBendtrans-104.8-22.2-169-60179.2000113.6S450I448-S450 PolarHBondContact O-N 2.86Å
449L42.7Very low40.7Very low167 Ų167139.1 Ų139.187%0.87481%0.814SS**THydrogen-bonded Turntrans-70.93.2-165.3-103.3165.5000117.3
450S45.3Very low40.6Very low117 Ų117139.1 Ų139.182%0.81882%0.815SS**THydrogen-bonded Turntrans-95.71.5-177.8-161.30000114.7I448I448-S450 PolarHBondContact O-N 2.86Å
451K41.4Very low40.5Very low199 Ų199140.8 Ų140.887%0.86582%0.818SS**SBendtrans-122.15.4-167.2-114.8-179.7179.9-178.70117.3
452S37Very low40.6Very low116 Ų116138.8 Ų138.881%0.81181%0.814SS**SBendtrans-122.921.7-165.8-151.20000116.2
453S41.9Very low41.3Very low112 Ų112139.5 Ų139.578%0.78381%0.812SS**SBendtrans-109.93.8-174.654.50000115.6
454S44.3Very low41.6Very low115 Ų115143.1 Ų143.180%0.80482%0.815SS**SBendtrans-102.6-1.4-164.3-51.30000116.5
455Q41Very low41.5Very low188 Ų188143.6 Ų143.688%0.87981%0.812SS**SBendtrans-125.212.8-159.6-145.91724.400116.1
456I37.7Very low41.6Very low163 Ų163144.5 Ų144.584%0.83682%0.821SS**  trans-126.185.1-179.3-51.3179.1000111
457R37.2Very low42Very low234 Ų234140.6 Ų140.688%0.88381%0.813SS**  trans172.394.2150.7-99.9173-170.2-166.93.6111.8
458M37.9Very low42.1Very low192 Ų192146 Ų14695%0.94684%0.842SS**  trans172.790.3132.9-97.8-176.5-70.500110.2
459S39.4Very low41.9Very low125 Ų125147.1 Ų147.187%0.87485%0.852SS**  trans-151.2100167.241.40000107.5
460G37.2Very low41.8Very low74 Ų74146 Ų14676%0.76385%0.851SS**  trans-110.9116.6-177.400000111.3
461L41.8Very low41.7Very low165 Ų165147.6 Ų147.686%0.86485%0.852SS**  trans30.1104.1151.4-69158000118
462P39.3Very low41.7Very low120 Ų120144.6 Ų144.678%0.77985%0.852SS**  trans-69.1147.5137.933.6-31.8000109.2
463A51Low42Very low99 Ų99146.4 Ų146.482%0.81885%0.854SS**  trans-12696.2176.900000110
464D42.6Very low42Very low143 Ų143148.7 Ų148.777%0.76586%0.859SS**  trans-80.7131.8164.2-66-56.1000109.5
465N43.7Very low41.8Very low148 Ų148151.1 Ų151.179%0.79186%0.863SS**  trans167.6142.4130-93.2-65.5000113.1
466L43Very low41.9Very low161 Ų161148.2 Ų148.284%0.84386%0.862SS**  trans45.8110.2153.9-9360.6000119.7
467A48.1Very low42.2Very low85 Ų85147 Ų14770%0.70286%0.864SS**  159.2134.29100000112.3
468T45.3Very low42.7Very low218 Ų218139.1 Ų139.1100%1.33786%0.862SS**  trans490170.552.40000117.7

Retrieved 468 of 468 residues in 136.8 ms (Link to these results)

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