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Corticotropin-releasing factor receptor 2

G-protein coupled receptor for CRH (corticotropin-releasing factor), UCN (urocortin), UCN2 and UCN3. Has high affinity for UCN. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and down-stream effectors, such as adenylate cyclase. Promotes the activation of adenylate cyclase, leading to increased intracellular cAMP levels.

AlphaFold DB , UniProt , Accession Q13324, Species HUMAN (Homo sapiens, Human), Gene CRHR2, Length 411 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low62.5Low206 Ų20698.8 Ų98.8100%1.01556%0.557SS**  0112.10-102.2162.856.200106.4A3 L6M1-A3 PolarHBondContact O-N 3.37Å; M1-L6 HydrophobicContact CE-CD1 3.66Å
2D48.1Very low63.1Low117 Ų11794.3 Ų94.363%0.62654%0.541SS*.  trans-58.6130.2-173.9-65.1-50.9000110.7A4 L5 L6D2-A4 PolarHBondContact O-N 3.47Å; D2-A4 VanDerWaalsContact O-N 3.07Å; D2-L5 HydrophobicContact CB-CB 4.4Å; D2-L5 WeakPolarHBondContact O-CA 3.44Å; D2-L5 WeakPolarHBondContact O-CB 3.49Å; D2-L5 PolarHBondContact O-N 3.35Å; D2-L6 PolarHBondContact O-N 2.77Å; D2-L6 VanDerWaalsContact O-N 3.16Å
3A55.4Low64.1Low83 Ų8395.5 Ų95.569%0.68655%0.545SS*.Hα-helixtrans-54-30.9179.500000112.3M1 L6 H7M1-A3 PolarHBondContact O-N 3.37Å; A3-L6 PolarHBondContact O-N 3.17Å; A3-H7 WeakPolarHBondContact O-CB 3.5Å; A3-H7 PolarHBondContact O-N 3.41Å
4A64.4Low65.2Low77 Ų7789.3 Ų89.364%0.63651%0.51SS*.Hα-helixtrans-64.9-37.8174.500000113.2D2 S8D2-A4 PolarHBondContact O-N 3.47Å; D2-A4 VanDerWaalsContact O-N 3.07Å; A4-S8 WeakPolarHBondContact O-CB 3.45Å; A4-S8 PolarHBondContact O-N 3.45Å; A4-S8 PolarHBondContact O-OG 3.25Å
5L66.8Low65.8Low101 Ų10187.4 Ų87.453%0.52951%0.505SS..Hα-helixtrans-71.9-35.9176.8-119.6161000111D2 S8 L9D2-L5 HydrophobicContact CB-CB 4.4Å; D2-L5 WeakPolarHBondContact O-CA 3.44Å; D2-L5 WeakPolarHBondContact O-CB 3.49Å; D2-L5 PolarHBondContact O-N 3.35Å; L5-S8 PolarHBondContact O-OG 2.95Å; L5-L9 HydrophobicContact CD2-CD1 4.44Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 WeakPolarHBondContact O-CD1 3.33Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 2.74Å; L5-L9 VanDerWaalsContact O-N 3.13Å
6L66Low66.2Low86 Ų8688.9 Ų88.945%0.4551%0.509SS..Hα-helixtrans-66.8-44174.8-155.799.3000111.2M1 D2 A3 L9 L10M1-L6 HydrophobicContact CE-CD1 3.66Å; D2-L6 PolarHBondContact O-N 2.77Å; D2-L6 VanDerWaalsContact O-N 3.16Å; A3-L6 PolarHBondContact O-N 3.17Å; L6-L9 PolarHBondContact O-N 2.88Å; L6-L10 HydrophobicContact CD2-CD1 4.07Å; L6-L10 HydrophobicContact CG-CD1 4.39Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.25Å; L6-L10 PolarHBondContact O-N 3.14Å
7H65.3Low66.4Low84 Ų8486.3 Ų86.339%0.38950%0.501SS..Hα-helixtrans-64.7-42.4179-163.9-76.6000112.1A3 L9 L10 E11A3-H7 WeakPolarHBondContact O-CB 3.5Å; A3-H7 PolarHBondContact O-N 3.41Å; H7-L9 PolarHBondContact O-N 3.19Å; H7-L10 PolarHBondContact O-N 2.69Å; H7-E11 IonicContact CE1-OE1 3.53Å; H7-E11 PolarHBondContact CE1-OE1 2.85Å; H7-E11 IonicContact ND1-OE1 3.84Å; H7-E11 IonicContact ND1-OE2 3.63Å; H7-E11 PolarHBondContact O-N 3.43Å
8S66.8Low66.7Low58 Ų5882 Ų8241%0.40648%0.476SS..Hα-helixtrans-66.7-36.5177.564.30000112.5A4 L5 A12A4-S8 WeakPolarHBondContact O-CB 3.45Å; A4-S8 PolarHBondContact O-N 3.45Å; A4-S8 PolarHBondContact O-OG 3.25Å; L5-S8 PolarHBondContact O-OG 2.95Å; S8-A12 WeakPolarHBondContact O-CB 3.42Å; S8-A12 PolarHBondContact O-N 3.13Å
9L71.5Confident66.8Low106 Ų10680.1 Ų80.156%0.55547%0.471SS*.Hα-helixtrans-65.3-40.9172.4-72.2172000111.8L5 L6 H7 A12 N13L5-L9 HydrophobicContact CD2-CD1 4.44Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 WeakPolarHBondContact O-CD1 3.33Å; L5-L9 WeakPolarHBondContact O-CG 3.4Å; L5-L9 PolarHBondContact O-N 2.74Å; L5-L9 VanDerWaalsContact O-N 3.13Å; L6-L9 PolarHBondContact O-N 2.88Å; H7-L9 PolarHBondContact O-N 3.19Å; L9-A12 PolarHBondContact O-N 2.85Å; L9-N13 WeakPolarHBondContact O-CB 3.46Å; L9-N13 PolarHBondContact O-N 2.86Å
10L69.8Low66.8Low80 Ų8082.9 Ų82.942%0.41948%0.479SS..Hα-helixtrans-66.5-40177.2-73.7164000112.1L6 H7 N13 C14 L44L6-L10 HydrophobicContact CD2-CD1 4.07Å; L6-L10 HydrophobicContact CG-CD1 4.39Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.25Å; L6-L10 PolarHBondContact O-N 3.14Å; H7-L10 PolarHBondContact O-N 2.69Å; L10-N13 PolarHBondContact O-N 3.21Å; L10-C14 VanDerWaalsContact O-CB 3.28Å; L10-C14 WeakPolarHBondContact O-CB 3.42Å; L10-C14 PolarHBondContact O-N 3.21Å; L10-L44 HydrophobicContact CB-CD2 3.54Å; L10-L44 HydrophobicContact CD1-CD2 4.46Å
11E69.8Low66.9Low89 Ų8982.5 Ų82.542%0.41647%0.473SS..Hα-helixtrans-65-40.7173.7-77.3-178.1156.900112.3H7 N13 C14 S15 L44H7-E11 IonicContact CE1-OE1 3.53Å; H7-E11 PolarHBondContact CE1-OE1 2.85Å; H7-E11 IonicContact ND1-OE1 3.84Å; H7-E11 IonicContact ND1-OE2 3.63Å; H7-E11 PolarHBondContact O-N 3.43Å; E11-N13 VanDerWaalsContact C-N 3.31Å; E11-N13 PolarHBondContact O-N 3.29Å; E11-C14 PolarHBondContact O-N 3.39Å; E11-S15 PolarHBondContact O-N 3.42Å; E11-S15 PolarHBondContact O-OG 3.37Å; E11-L44 HydrophobicContact CG-CB 3.99Å; E11-L44 HydrophobicContact CG-CD2 4.45Å
12A70.5Confident67.9Low45 Ų4579 Ų7937%0.37246%0.457SS..Hα-helixtrans-62-40.7173.300000111.5S8 L9 S15 L16S8-A12 WeakPolarHBondContact O-CB 3.42Å; S8-A12 PolarHBondContact O-N 3.13Å; L9-A12 PolarHBondContact O-N 2.85Å; A12-S15 WeakPolarHBondContact CA-OG 3.45Å; A12-S15 PolarHBondContact O-N 2.94Å; A12-S15 PolarHBondContact O-OG 3.26Å; A12-L16 PolarHBondContact O-N 2.94Å
13N76Confident68.6Low109 Ų10980.2 Ų80.258%0.58346%0.463SS*.Hα-helixtrans-70.3-36.3177.8-138.331.8000112.3L9 L10 E11 L16 A17L9-N13 WeakPolarHBondContact O-CB 3.46Å; L9-N13 PolarHBondContact O-N 2.86Å; L10-N13 PolarHBondContact O-N 3.21Å; E11-N13 VanDerWaalsContact C-N 3.31Å; E11-N13 PolarHBondContact O-N 3.29Å; N13-L16 PolarHBondContact O-N 3.23Å; N13-A17 WeakPolarHBondContact O-CB 3.43Å; N13-A17 PolarHBondContact O-N 2.81Å
14C79.4Confident68.9Low9 Ų983.2 Ų83.26%0.06147%0.467CS..Hα-helixtrans-61.9-46.51741620000111.5L10 E11 A17 L18 L44 C50L10-C14 VanDerWaalsContact O-CB 3.28Å; L10-C14 WeakPolarHBondContact O-CB 3.42Å; L10-C14 PolarHBondContact O-N 3.21Å; E11-C14 PolarHBondContact O-N 3.39Å; C14-A17 PolarHBondContact O-N 3.41Å; C14-L18 WeakPolarHBondContact O-CG 3.37Å; C14-L18 PolarHBondContact O-N 2.91Å; C14-L18 VanDerWaalsContact O-N 3.08Å; C14-L44 HydrophobicContact CB-CD1 4.11Å; C14-C50 VanDerWaalsContact C-SG 3.53Å; C14-C50 WeakPolarHBondContact CA-SG 3.31Å; C14-C50 HydrophobicContact CB-CB 3.74Å; C14-C50 WeakPolarHBondContact CB-SG 3.49Å; C14-C50 PolarHBondContact O-SG 3.31Å; C14-C50 VanDerWaalsContact SG-CA 3.59Å; C14-C50 WeakPolarHBondContact SG-CB 3.24Å; C14-C50 CovalentContact SG-SG 2.01Å; C14-C50 PolarHBondContact SG-SG 2.67Å
15S73.7Confident68.7Low61 Ų6186.2 Ų86.243%0.42747%0.472SS..Hα-helixtrans-66-36.8176.649.90000113.2E11 A12 A19E11-S15 PolarHBondContact O-N 3.42Å; E11-S15 PolarHBondContact O-OG 3.37Å; A12-S15 WeakPolarHBondContact CA-OG 3.45Å; A12-S15 PolarHBondContact O-N 2.94Å; A12-S15 PolarHBondContact O-OG 3.26Å; S15-A19 WeakPolarHBondContact O-CB 3.33Å; S15-A19 PolarHBondContact O-N 3.08Å
16L72.8Confident67.7Low111 Ų11184 Ų8458%0.58147%0.474SS*.Hα-helixtrans-65.5-47.2173.1-83161000112.7A12 N13 L18 A19 E20A12-L16 PolarHBondContact O-N 2.94Å; N13-L16 PolarHBondContact O-N 3.23Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.29Å; L16-A19 WeakPolarHBondContact O-CB 3.26Å; L16-A19 PolarHBondContact O-N 3.37Å; L16-A19 VanDerWaalsContact O-N 3.08Å; L16-E20 PolarHBondContact O-N 3.36Å
17A69.4Low66.5Low45 Ų4591.7 Ų91.737%0.37250%0.497SS..Hα-helixtrans-61.6-39.6179.900000111.9N13 C14 E20 E21N13-A17 WeakPolarHBondContact O-CB 3.43Å; N13-A17 PolarHBondContact O-N 2.81Å; C14-A17 PolarHBondContact O-N 3.41Å; A17-E20 PolarHBondContact O-N 3.1Å; A17-E21 PolarHBondContact O-N 2.97Å
18L72.1Confident65.6Low9 Ų990.6 Ų90.65%0.04751%0.508CS..Hα-helixtrans-70.9-30.9174.6-70176.1000113C14 L16 E20 E21 L22 T42 C50 P52C14-L18 WeakPolarHBondContact O-CG 3.37Å; C14-L18 PolarHBondContact O-N 2.91Å; C14-L18 VanDerWaalsContact O-N 3.08Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.29Å; L18-E20 VanDerWaalsContact C-N 3.32Å; L18-E21 VanDerWaalsContact CD2-OE2 3.31Å; L18-E21 WeakPolarHBondContact CD2-OE2 3.22Å; L18-E21 PolarHBondContact O-N 3.14Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.07Å; L18-T42 HydrophobicContact CD1-CG2 3.59Å; L18-C50 WeakPolarHBondContact CD1-SG 3.29Å; L18-C50 VanDerWaalsContact CG-SG 3.55Å; L18-P52 HydrophobicContact CD1-CB 3.76Å; L18-P52 HydrophobicContact CD2-CB 3.88Å; L18-P52 HydrophobicContact CD2-CG 4.44Å; L18-P52 HydrophobicContact CG-CB 4.41Å
19A68Low64.6Low45 Ų4593.3 Ų93.337%0.37253%0.525SS..Hα-helixtrans-66.1-37.617300000111.1S15 L16 L23S15-A19 WeakPolarHBondContact O-CB 3.33Å; S15-A19 PolarHBondContact O-N 3.08Å; L16-A19 WeakPolarHBondContact O-CB 3.26Å; L16-A19 PolarHBondContact O-N 3.37Å; L16-A19 VanDerWaalsContact O-N 3.08Å; A19-L23 VanDerWaalsContact O-CG 3.25Å; A19-L23 WeakPolarHBondContact O-CG 3.37Å; A19-L23 PolarHBondContact O-N 3.12Å
20E67.5Low63.7Low136 Ų13693 Ų9364%0.63653%0.529SS*.Hα-helixtrans-65.5-43170.5-89.7-177.2135.100112.7L16 A17 L18 L22 L23 L24L16-E20 PolarHBondContact O-N 3.36Å; A17-E20 PolarHBondContact O-N 3.1Å; L18-E20 VanDerWaalsContact C-N 3.32Å; E20-L22 PolarHBondContact O-N 3.12Å; E20-L23 PolarHBondContact O-N 2.99Å; E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 3.13Å
21E68Low62.9Low76 Ų7694.2 Ų94.236%0.35554%0.535SS..Hα-helixtrans-59.4-45.1174.7-78.5-179.7-17400111.3A17 L18 L23 L24 D25 R62A17-E21 PolarHBondContact O-N 2.97Å; L18-E21 VanDerWaalsContact CD2-OE2 3.31Å; L18-E21 WeakPolarHBondContact CD2-OE2 3.22Å; L18-E21 PolarHBondContact O-N 3.14Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 3.44Å; E21-L24 PolarHBondContact O-N 3.45Å; E21-L24 VanDerWaalsContact O-N 3.14Å; E21-D25 PolarHBondContact O-N 2.72Å; E21-R62 IonicContact OE1-CZ 3.94Å; E21-R62 IonicContact OE1-NH1 2.79Å; E21-R62 PolarHBondContact OE1-NH1 3.22Å; E21-R62 VanDerWaalsContact OE1-NH1 3.15Å; E21-R62 IonicContact OE1-NH2 2.68Å; E21-R62 PolarHBondContact OE1-NH2 3.19Å; E21-R62 IonicContact OE2-CZ 3.48Å; E21-R62 IonicContact OE2-NH1 3.64Å; E21-R62 PolarHBondContact OE2-NH1 2.91Å; E21-R62 IonicContact OE2-NH2 3.56Å
22L64.4Low61.8Low131 Ų13196.5 Ų96.569%0.68655%0.551SS**Hα-helixtrans-64.9-31.1177.2-75.1168.1000113.3L18 E20L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 3.07Å; E20-L22 PolarHBondContact O-N 3.12Å
23L63.7Low61Low143 Ų143100.1 Ų100.175%0.74957%0.57SS**Hα-helixtrans-72-32.7174.6-75.2170.5000111.9A19 E20 E21A19-L23 VanDerWaalsContact O-CG 3.25Å; A19-L23 WeakPolarHBondContact O-CG 3.37Å; A19-L23 PolarHBondContact O-N 3.12Å; E20-L23 PolarHBondContact O-N 2.99Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 3.44Å
24L62Low59.8Low147 Ų147104 Ų10477%0.7759%0.585SS**Hα-helixtrans-77.7-36.1178.6-76164000112.7E20 E21 G26E20-L24 WeakPolarHBondContact O-CG 3.24Å; E20-L24 PolarHBondContact O-N 3.13Å; E21-L24 PolarHBondContact O-N 3.45Å; E21-L24 VanDerWaalsContact O-N 3.14Å; L24-G26 VanDerWaalsContact C-N 3.26Å; L24-G26 PolarHBondContact O-N 2.92Å
25D59.6Low58.6Low140 Ų140105 Ų10575%0.74960%0.597SS**SBendtrans-82.45.6-176.2-84-19.8000115.1E21E21-D25 PolarHBondContact O-N 2.72Å
26G45.7Very low57.7Low54 Ų54108.4 Ų108.456%0.55762%0.617SS**  trans6182.5165.800000114.3L24 G28L24-G26 VanDerWaalsContact C-N 3.26Å; L24-G26 PolarHBondContact O-N 2.92Å; G26-G28 PolarHBondContact O-N 2.81Å
27W41.4Very low57Low247 Ų247112.1 Ų112.194%0.93663%0.625SS**  trans44.867.9162.1-81.744.6000114.7
28G46Very low57.4Low61 Ų61112 Ų11263%0.62962%0.622SS**PPolyproline II helixtrans-59.1138.2146.300000108.6G26G26-G28 PolarHBondContact O-N 2.81Å
29P45.5Very low58Low116 Ų116116.9 Ų116.975%0.75364%0.64SS**PPolyproline II helixtrans-53.4138.2-178.222-31.7000109.5L31P29-L31 PolarHBondContact O-N 2.92Å; P29-L31 VanDerWaalsContact O-N 3.15Å
30P51.6Low59Low100 Ų100114.8 Ų114.865%0.64962%0.622SS**PPolyproline II helixtrans-55.5127.6173.124-30.1000107.2D32P30-D32 PolarHBondContact O-N 3.13Å
31L54.1Low59.9Low104 Ų104112.4 Ų112.455%0.54561%0.614SS.*  trans-56.9105.3168.4-84.5136000106.5P29 A55P29-L31 PolarHBondContact O-N 2.92Å; P29-L31 VanDerWaalsContact O-N 3.15Å; L31-A55 HydrophobicContact CD2-CB 4.28Å
32D47.2Very low60.9Low138 Ų138111.4 Ų111.474%0.73861%0.614SS**  trans-52.1121.4-176.3-83-37.7000109.2P30 E34P30-D32 PolarHBondContact O-N 3.13Å; D32-E34 PolarHBondContact O-N 2.89Å
33P53.2Low62Low121 Ų121107.1 Ų107.179%0.78659%0.593SS**THydrogen-bonded Turntrans-70-0.8-174.6-11.924.9000114.3
34E50.8Low63.1Low191 Ų191101.4 Ų101.489%0.89356%0.563SS**THydrogen-bonded Turntrans-120.810.5-164-65.9-175152.200114.8D32D32-E34 PolarHBondContact O-N 2.89Å
35G53.3Low64.2Low30 Ų3095.2 Ų95.231%0.30953%0.53SS..SBendtrans-94.7156.8167.900000112.4Y37G35-Y37 PolarHBondContact O-N 2.87Å
36P55.8Low65.2Low131 Ų13198 Ų9885%0.85154%0.539SS*.SBendtrans-71.222.9176.534.2-36000112.7S38P36-S38 PolarHBondContact O-N 3.34Å
37Y58.4Low66.7Low189 Ų18997.9 Ų97.974%0.74153%0.525SS*.  trans-84.1111-177.7-61.5-71.2000108.7G35G35-Y37 PolarHBondContact O-N 2.87Å
38S76.6Confident68.6Low44 Ų4488.3 Ų88.331%0.30850%0.503SS..  trans-56.3137.1165.129.60000109.8P36 A56 E85P36-S38 PolarHBondContact O-N 3.34Å; S38-A56 WeakPolarHBondContact O-CB 3.46Å; S38-A56 PolarHBondContact O-N 2.88Å; S38-A56 VanDerWaalsContact OG-CB 3.26Å; S38-A56 WeakPolarHBondContact OG-CB 3.49Å; S38-E85 WeakPolarHBondContact CB-O 3.43Å; S38-E85 PolarHBondContact OG-O 3.32Å
39Y86.1Confident70.4Confident111 Ų11185.9 Ų85.944%0.43548%0.476SS..EExtended strand (participates in β ladder)trans-131.6150.7172.357.3-93.6000109.2N41 R53 S54Y39-N41 VanDerWaalsContact CE2-OD1 3.29Å; Y39-N41 WeakPolarHBondContact CE2-OD1 3.32Å; Y39-R53 HydrophobicContact CD2-CG 4.26Å; Y39-S54 WeakPolarHBondContact CA-O 3.2Å
40C87.7Confident72.5Confident0 Ų081 Ų810%045%0.445CS..EExtended strand (participates in β ladder)trans-89130.2170.5-63.80000109.7R53 S54 C83 G87 T88 W89C40-R53 VanDerWaalsContact O-CA 3.28Å; C40-R53 WeakPolarHBondContact O-CA 3.39Å; C40-S54 PolarHBondContact N-O 3.01Å; C40-S54 PolarHBondContact O-N 3.17Å; C40-S54 VanDerWaalsContact O-N 3.16Å; C40-C83 HydrophobicContact CB-CB 3.84Å; C40-C83 WeakPolarHBondContact CB-SG 3.41Å; C40-C83 PolarHBondContact N-SG 2.83Å; C40-C83 VanDerWaalsContact N-SG 3.37Å; C40-C83 WeakPolarHBondContact SG-CA 2.98Å; C40-C83 WeakPolarHBondContact SG-CB 3.47Å; C40-C83 CovalentContact SG-SG 2.02Å; C40-C83 PolarHBondContact SG-SG 3.15Å; C40-G87 VanDerWaalsContact SG-C 3.54Å; C40-T88 PolarHBondContact SG-O 2.86Å; C40-W89 HydrophobicContact CB-CD2 3.74Å; C40-W89 VanDerWaalsContact CB-CE2 3.4Å; C40-W89 HydrophobicContact CB-CE3 4.32Å; C40-W89 HydrophobicContact CB-CG 4.08Å; C40-W89 HydrophobicContact CB-CH2 4.37Å; C40-W89 HydrophobicContact CB-CZ2 3.75Å
41N87.7Confident74.3Confident86 Ų8676.3 Ų76.346%0.4641%0.414SS..PPolyproline II helixtrans-70.7158.7176.6-86.6-34.2000112.5Y39 T43 R53 W89Y39-N41 VanDerWaalsContact CE2-OD1 3.29Å; Y39-N41 WeakPolarHBondContact CE2-OD1 3.32Å; N41-T43 PolarHBondContact O-N 3.39Å; N41-R53 PolarHBondContact OD1-NH2 3.43Å; N41-W89 PolarHBondContact O-NE1 2.92Å
42T87.9Confident76Confident56 Ų5672.8 Ų72.834%0.34440%0.397SS..PPolyproline II helixtrans-57.3130.3171.4-56.20000110.3L18 W51 R53L18-T42 HydrophobicContact CD1-CG2 3.59Å; T42-W51 VanDerWaalsContact CA-O 3.25Å; T42-W51 WeakPolarHBondContact CA-O 3.4Å; T42-W51 WeakPolarHBondContact CG2-O 3.45Å; T42-R53 PolarHBondContact OG1-N 3.35Å
43T88.1Confident77.9Confident41 Ų4172.6 Ų72.625%0.25239%0.386SS..EExtended strand (participates in β ladder)trans-139.3147.4177.760.50000111.5N41 W51 R81 W89N41-T43 PolarHBondContact O-N 3.39Å; T43-W51 PolarHBondContact N-O 3.45Å; T43-W51 WeakPolarHBondContact O-CB 3.31Å; T43-W51 PolarHBondContact O-N 3.35Å; T43-R81 PolarHBondContact OG1-NH1 3.28Å; T43-W89 PolarHBondContact OG1-NE1 3.45Å
44L86.2Confident79.5Confident23 Ų2367.6 Ų67.612%0.1235%0.354CS..EExtended strand (participates in β ladder)trans-96.3136.5167.3-16976.2000108.7L10 E11 C14 G48 C50L10-L44 HydrophobicContact CB-CD2 3.54Å; L10-L44 HydrophobicContact CD1-CD2 4.46Å; E11-L44 HydrophobicContact CG-CB 3.99Å; E11-L44 HydrophobicContact CG-CD2 4.45Å; C14-L44 HydrophobicContact CB-CD1 4.11Å; L44-G48 WeakPolarHBondContact CD1-O 3.37Å; L44-C50 HydrophobicContact CD1-CB 4.32Å
45D84.9Confident81.3Confident16 Ų1660.6 Ų60.69%0.08633%0.329CS..  trans-90.9174171.871.719.6000113.1I47 G48 T49 W51 I93 Y95D45-I47 PolarHBondContact O-N 3.37Å; D45-I47 VanDerWaalsContact O-N 3.09Å; D45-I47 WeakPolarHBondContact OD1-CA 3.47Å; D45-I47 PolarHBondContact OD1-N 3.09Å; D45-G48 PolarHBondContact O-N 2.83Å; D45-G48 PolarHBondContact OD1-N 3.43Å; D45-G48 VanDerWaalsContact OD1-N 3.07Å; D45-T49 PolarHBondContact N-O 3.17Å; D45-T49 WeakPolarHBondContact OD1-CB 3.48Å; D45-T49 PolarHBondContact OD1-N 2.87Å; D45-T49 WeakPolarHBondContact OD2-CB 3.35Å; D45-W51 PolarHBondContact OD2-NE1 3.08Å; D45-W51 VanDerWaalsContact OD2-NE1 3.08Å; D45-I93 HydrophobicContact CB-CD1 3.78Å; D45-I93 WeakPolarHBondContact OD2-CD1 3.43Å; D45-Y95 PolarHBondContact OD2-OH 3.14Å
46Q80.8Confident83Confident198 Ų19860.4 Ų60.493%0.92532%0.324SS*.THydrogen-bonded Turntrans-64.1-14.7-177.2-65.5-179.9-500114
47I78.3Confident84.6Confident53 Ų5355.8 Ų55.827%0.27230%0.3SS..THydrogen-bonded Turntrans-97.1-7.7-178.8-61173.2000110.4D45 P65 F68 Y95D45-I47 PolarHBondContact O-N 3.37Å; D45-I47 VanDerWaalsContact O-N 3.09Å; D45-I47 WeakPolarHBondContact OD1-CA 3.47Å; D45-I47 PolarHBondContact OD1-N 3.09Å; I47-P65 HydrophobicContact CG2-CB 4.28Å; I47-P65 HydrophobicContact CG2-CG 3.8Å; I47-F68 HydrophobicContact CB-CD2 4.11Å; I47-F68 HydrophobicContact CB-CE2 3.99Å; I47-F68 HydrophobicContact CG1-CD2 4.21Å; I47-F68 HydrophobicContact CG1-CE1 4.45Å; I47-F68 HydrophobicContact CG1-CE2 3.7Å; I47-F68 HydrophobicContact CG1-CZ 3.83Å; I47-F68 HydrophobicContact CG2-CB 4.27Å; I47-F68 HydrophobicContact CG2-CD2 3.49Å; I47-F68 VanDerWaalsContact CG2-CD2 3.49Å; I47-F68 HydrophobicContact CG2-CE2 3.89Å; I47-F68 HydrophobicContact CG2-CG 3.88Å; I47-Y95 HydrophobicContact CD1-CD2 4.27Å; I47-Y95 HydrophobicContact CD1-CE2 3.89Å
48G80.1Confident86.1Confident45 Ų4548.3 Ų48.346%0.46428%0.278SS..  trans89.410.9-177.700000113.8L44 D45L44-G48 WeakPolarHBondContact CD1-O 3.37Å; D45-G48 PolarHBondContact O-N 2.83Å; D45-G48 PolarHBondContact OD1-N 3.43Å; D45-G48 VanDerWaalsContact OD1-N 3.07Å
49T85.3Confident86.8Confident10 Ų1051.8 Ų51.86%0.06129%0.292CS..  trans-78.6124174.2-51.70000109.5D45 W51 R62 Y95D45-T49 PolarHBondContact N-O 3.17Å; D45-T49 WeakPolarHBondContact OD1-CB 3.48Å; D45-T49 PolarHBondContact OD1-N 2.87Å; D45-T49 WeakPolarHBondContact OD2-CB 3.35Å; T49-W51 HydrophobicContact CG2-CZ2 4.09Å; T49-R62 HydrophobicContact CG2-CB 3.91Å; T49-R62 HydrophobicContact CG2-CG 4.27Å; T49-Y95 VanDerWaalsContact CB-OH 3.23Å; T49-Y95 WeakPolarHBondContact CB-OH 3.42Å; T49-Y95 PolarHBondContact OG1-OH 2.91Å
50C88.6Confident87.1Confident15 Ų1547.3 Ų47.310%0.10128%0.277CS..EExtended strand (participates in β ladder)trans-86.5122179.5-177.60000110.8C14 L18 L44 R62C14-C50 VanDerWaalsContact C-SG 3.53Å; C14-C50 WeakPolarHBondContact CA-SG 3.31Å; C14-C50 HydrophobicContact CB-CB 3.74Å; C14-C50 WeakPolarHBondContact CB-SG 3.49Å; C14-C50 PolarHBondContact O-SG 3.31Å; C14-C50 VanDerWaalsContact SG-CA 3.59Å; C14-C50 WeakPolarHBondContact SG-CB 3.24Å; C14-C50 CovalentContact SG-SG 2.01Å; C14-C50 PolarHBondContact SG-SG 2.67Å; L18-C50 WeakPolarHBondContact CD1-SG 3.29Å; L18-C50 VanDerWaalsContact CG-SG 3.55Å; L44-C50 HydrophobicContact CD1-CB 4.32Å; C50-R62 PolarHBondContact O-NE 3.34Å; C50-R62 VanDerWaalsContact O-NE 3.12Å
51W89.1Confident87.3Confident0 Ų052.6 Ų52.60%030%0.302CS..EExtended strand (participates in β ladder)trans-104.3118-179.9-64.992.2000110.5T42 T43 D45 T49 V60 R62 A79 R81 W89 I93T42-W51 VanDerWaalsContact CA-O 3.25Å; T42-W51 WeakPolarHBondContact CA-O 3.4Å; T42-W51 WeakPolarHBondContact CG2-O 3.45Å; T43-W51 PolarHBondContact N-O 3.45Å; T43-W51 WeakPolarHBondContact O-CB 3.31Å; T43-W51 PolarHBondContact O-N 3.35Å; D45-W51 PolarHBondContact OD2-NE1 3.08Å; D45-W51 VanDerWaalsContact OD2-NE1 3.08Å; T49-W51 HydrophobicContact CG2-CZ2 4.09Å; W51-V60 HydrophobicContact CE3-CB 4.27Å; W51-V60 HydrophobicContact CE3-CG1 4.03Å; W51-V60 HydrophobicContact CZ3-CB 4.26Å; W51-V60 HydrophobicContact CZ3-CG1 4.18Å; W51-V60 WeakPolarHBondContact CZ3-O 3.45Å; W51-R62 HydrophobicContact CE3-CG 3.99Å; W51-R62 HydrophobicContact CH2-CB 4.36Å; W51-R62 HydrophobicContact CH2-CG 4.32Å; W51-R62 HydrophobicContact CZ3-CB 4.36Å; W51-R62 HydrophobicContact CZ3-CG 3.87Å; W51-A79 HydrophobicContact CH2-CB 4.4Å; W51-R81 HydrophobicContact CD2-CB 3.88Å; W51-R81 HydrophobicContact CD2-CG 4.38Å; W51-R81 HydrophobicContact CE3-CB 3.5Å; W51-R81 HydrophobicContact CE3-CG 4.4Å; W51-R81 HydrophobicContact CH2-CB 3.42Å; W51-R81 VanDerWaalsContact CH2-CB 3.42Å; W51-R81 HydrophobicContact CZ2-CB 3.78Å; W51-R81 HydrophobicContact CZ3-CB 3.26Å; W51-W89 HydrophobicContact CB-CH2 4.22Å; W51-W89 HydrophobicContact CB-CZ2 3.96Å; W51-I93 HydrophobicContact CH2-CG2 4.05Å; W51-I93 HydrophobicContact CZ2-CG2 3.5Å; W51-I93 VanDerWaalsContact CZ2-CG2 3.5Å
52P89.3Confident87.4Confident31 Ų3150.6 Ų50.620%0.20129%0.287CS..  trans-74.2156-176.629.4-35.3000113.5L18 S54 V60 W89L18-P52 HydrophobicContact CD1-CB 3.76Å; L18-P52 HydrophobicContact CD2-CB 3.88Å; L18-P52 HydrophobicContact CD2-CG 4.44Å; L18-P52 HydrophobicContact CG-CB 4.41Å; P52-S54 PolarHBondContact O-N 3.4Å; P52-S54 PolarHBondContact O-OG 3.44Å; P52-V60 HydrophobicContact CG-CG1 4.03Å; P52-W89 WeakPolarHBondContact O-CH2 3.46Å; P52-W89 WeakPolarHBondContact O-CZ2 3.35Å
53R87.6Confident87.4Confident134 Ų13451.2 Ų51.251%0.50629%0.292SS..  trans-53.5126.1170.7175.4178.6-77.5153.5-2.8110.1Y39 C40 N41 T42Y39-R53 HydrophobicContact CD2-CG 4.26Å; C40-R53 VanDerWaalsContact O-CA 3.28Å; C40-R53 WeakPolarHBondContact O-CA 3.39Å; N41-R53 PolarHBondContact OD1-NH2 3.43Å; T42-R53 PolarHBondContact OG1-N 3.35Å
54S87.7Confident87.5Confident15 Ų1549.4 Ų49.411%0.10528%0.282CS..EExtended strand (participates in β ladder)trans-139.7150.3-171.9-60.20000111.3Y39 C40 P52 V60Y39-S54 WeakPolarHBondContact CA-O 3.2Å; C40-S54 PolarHBondContact N-O 3.01Å; C40-S54 PolarHBondContact O-N 3.17Å; C40-S54 VanDerWaalsContact O-N 3.16Å; P52-S54 PolarHBondContact O-N 3.4Å; P52-S54 PolarHBondContact O-OG 3.44Å; S54-V60 WeakPolarHBondContact OG-CG2 3.31Å
55A88.1Confident87.5Confident44 Ų4449.5 Ų49.536%0.36428%0.284SS..EExtended strand (participates in β ladder)trans-67.2149.417800000111.7L31 G57 A58 C83L31-A55 HydrophobicContact CD2-CB 4.28Å; A55-G57 PolarHBondContact O-N 3.2Å; A55-A58 WeakPolarHBondContact O-CB 3.4Å; A55-A58 PolarHBondContact O-N 3.26Å; A55-A58 VanDerWaalsContact O-N 3.15Å; A55-C83 WeakPolarHBondContact O-CB 3.06Å; A55-C83 PolarHBondContact O-SG 3Å
56A89Confident87.4Confident26 Ų2653.7 Ų53.722%0.21530%0.302CS..THydrogen-bonded Turntrans-53.2137.5168.900000111.6S38 A58S38-A56 WeakPolarHBondContact O-CB 3.46Å; S38-A56 PolarHBondContact O-N 2.88Å; S38-A56 VanDerWaalsContact OG-CB 3.26Å; S38-A56 WeakPolarHBondContact OG-CB 3.49Å; A56-A58 VanDerWaalsContact C-N 3.3Å; A56-A58 PolarHBondContact O-N 2.77Å
57G88.3Confident87.3Confident34 Ų3450.4 Ų50.435%0.35128%0.283SS..THydrogen-bonded Turntrans82.9-6.2-176.200000115A55 C83A55-G57 PolarHBondContact O-N 3.2Å; G57-C83 VanDerWaalsContact CA-O 3.31Å; G57-C83 WeakPolarHBondContact CA-O 3.36Å; G57-C83 PolarHBondContact N-O 3.31Å
58A90.5Very high87.3Confident33 Ų3350.8 Ų50.827%0.27328%0.283SS..PPolyproline II helixtrans-78.9134.2-178.300000112.7A55 A56 C83A55-A58 WeakPolarHBondContact O-CB 3.4Å; A55-A58 PolarHBondContact O-N 3.26Å; A55-A58 VanDerWaalsContact O-N 3.15Å; A56-A58 VanDerWaalsContact C-N 3.3Å; A56-A58 PolarHBondContact O-N 2.77Å; A58-C83 PolarHBondContact O-N 3.42Å
59L91.9Very high87Confident116 Ų11655.4 Ų55.461%0.60730%0.297SS*.EExtended strand (participates in β ladder)trans-91.2116.7165.7-17470.3000109.1Y80 E82L59-Y80 HydrophobicContact CD2-CD1 4.23Å; L59-Y80 HydrophobicContact CG-CD1 4.42Å; L59-E82 HydrophobicContact CD1-CB 4.09Å
60V91.5Very high86.2Confident17 Ų1758.5 Ų58.510%0.10333%0.33CS..EExtended strand (participates in β ladder)trans-102.9135.6-175-176.50000109.3W51 P52 S54 Y80 R81 W89W51-V60 HydrophobicContact CE3-CB 4.27Å; W51-V60 HydrophobicContact CE3-CG1 4.03Å; W51-V60 HydrophobicContact CZ3-CB 4.26Å; W51-V60 HydrophobicContact CZ3-CG1 4.18Å; W51-V60 WeakPolarHBondContact CZ3-O 3.45Å; P52-V60 HydrophobicContact CG-CG1 4.03Å; S54-V60 WeakPolarHBondContact OG-CG2 3.31Å; V60-Y80 CarbonylContact O-C 3.43Å; V60-Y80 VanDerWaalsContact O-CA 3.31Å; V60-Y80 WeakPolarHBondContact O-CA 3.41Å; V60-R81 PolarHBondContact N-O 3.42Å; V60-R81 PolarHBondContact O-N 3.03Å; V60-W89 HydrophobicContact CB-CH2 4.32Å; V60-W89 HydrophobicContact CB-CZ3 4.23Å; V60-W89 HydrophobicContact CG2-CH2 3.82Å; V60-W89 HydrophobicContact CG2-CZ3 3.84Å
61E91.6Very high85.5Confident112 Ų11260.9 Ų60.952%0.52334%0.344SS..EExtended strand (participates in β ladder)trans-109.8142.4175.163.9177-179.700111.6N78 A79 Y80E61-N78 HydrophobicContact CB-CB 4.2Å; E61-N78 PolarHBondContact OE2-ND2 3.31Å; E61-A79 WeakPolarHBondContact CA-O 3.28Å; E61-Y80 HydrophobicContact CB-CD1 3.89Å; E61-Y80 HydrophobicContact CB-CE1 3.87Å
62R89.8Confident85.1Confident43 Ų4365.1 Ų65.116%0.16236%0.362CS..EExtended strand (participates in β ladder)trans-137.3144.8171.3-66.9-62.4-74.31710.6109.1E21 T49 C50 W51 N78 A79E21-R62 IonicContact OE1-CZ 3.94Å; E21-R62 IonicContact OE1-NH1 2.79Å; E21-R62 PolarHBondContact OE1-NH1 3.22Å; E21-R62 VanDerWaalsContact OE1-NH1 3.15Å; E21-R62 IonicContact OE1-NH2 2.68Å; E21-R62 PolarHBondContact OE1-NH2 3.19Å; E21-R62 IonicContact OE2-CZ 3.48Å; E21-R62 IonicContact OE2-NH1 3.64Å; E21-R62 PolarHBondContact OE2-NH1 2.91Å; E21-R62 IonicContact OE2-NH2 3.56Å; T49-R62 HydrophobicContact CG2-CB 3.91Å; T49-R62 HydrophobicContact CG2-CG 4.27Å; C50-R62 PolarHBondContact O-NE 3.34Å; C50-R62 VanDerWaalsContact O-NE 3.12Å; W51-R62 HydrophobicContact CE3-CG 3.99Å; W51-R62 HydrophobicContact CH2-CB 4.36Å; W51-R62 HydrophobicContact CH2-CG 4.32Å; W51-R62 HydrophobicContact CZ3-CB 4.36Å; W51-R62 HydrophobicContact CZ3-CG 3.87Å; R62-N78 CarbonylContact O-C 3.6Å; R62-N78 VanDerWaalsContact O-CA 3.23Å; R62-N78 WeakPolarHBondContact O-CA 3.47Å; R62-N78 WeakPolarHBondContact O-CB 3.43Å; R62-A79 PolarHBondContact N-O 3.37Å; R62-A79 PolarHBondContact O-N 3.33Å
63P89.2Confident84.7Confident69 Ų6966 Ų6645%0.44836%0.362SS..EExtended strand (participates in β ladder)trans-58.8147.1174.525.5-33.5000110.5
64C89.1Confident84.4Confident4 Ų462.1 Ų62.13%0.02735%0.351CS..PPolyproline II helixtrans-57144.2174.3-64.40000110.9R77 C98C64-R77 PolarHBondContact N-O 3.5Å; C64-R77 PolarHBondContact SG-O 2.96Å; C64-C98 HydrophobicContact CB-CB 3.73Å; C64-C98 WeakPolarHBondContact CB-SG 3.47Å; C64-C98 WeakPolarHBondContact SG-CA 3.18Å; C64-C98 WeakPolarHBondContact SG-CB 3.38Å; C64-C98 CovalentContact SG-SG 2.02Å; C64-C98 PolarHBondContact SG-SG 3.26Å
65P86.1Confident84.3Confident25 Ų2564.8 Ų64.816%0.16237%0.367CS..PPolyproline II helixtrans-60.214117826.4-35.3000110.3I47 Y73I47-P65 HydrophobicContact CG2-CB 4.28Å; I47-P65 HydrophobicContact CG2-CG 3.8Å; P65-Y73 VanDerWaalsContact O-CB 3.27Å; P65-Y73 WeakPolarHBondContact O-CB 3.49Å
66E83.3Confident84.3Confident103 Ų10368.2 Ų68.248%0.48138%0.384SS..SBendtrans-68.9-37.3-179.2-166.1-174.2169.200111.8K72 Y73 T75E66-K72 CarbonylContact O-C 3.15Å; E66-K72 VanDerWaalsContact O-CA 3.31Å; E66-K72 WeakPolarHBondContact O-CA 3.32Å; E66-K72 IonicContact OE1-NZ 2.66Å; E66-Y73 PolarHBondContact O-N 3.03Å; E66-T75 HydrophobicContact CB-CG2 3.98Å; E66-T75 HydrophobicContact CG-CG2 4.11Å
67Y79.2Confident84.3Confident129 Ų12971.8 Ų71.851%0.50639%0.392SS..EExtended strand (participates in β ladder)trans-135.1135.8177.6-65.5-86.5000110.9V71 K72Y67-V71 WeakPolarHBondContact CA-O 3.36Å; Y67-K72 HydrophobicContact CD1-CB 4.07Å; Y67-K72 HydrophobicContact CD1-CG 4.31Å; Y67-K72 HydrophobicContact CE1-CB 3.71Å; Y67-K72 HydrophobicContact CE1-CD 4.07Å; Y67-K72 HydrophobicContact CE1-CG 3.76Å
68F79.1Confident84.4Confident62 Ų6272.2 Ų72.227%0.27239%0.386SS..EExtended strand (participates in β ladder)trans-140127.5167.8179.9-115.7000109.3I47 G70 V71 Y73I47-F68 HydrophobicContact CB-CD2 4.11Å; I47-F68 HydrophobicContact CB-CE2 3.99Å; I47-F68 HydrophobicContact CG1-CD2 4.21Å; I47-F68 HydrophobicContact CG1-CE1 4.45Å; I47-F68 HydrophobicContact CG1-CE2 3.7Å; I47-F68 HydrophobicContact CG1-CZ 3.83Å; I47-F68 HydrophobicContact CG2-CB 4.27Å; I47-F68 HydrophobicContact CG2-CD2 3.49Å; I47-F68 VanDerWaalsContact CG2-CD2 3.49Å; I47-F68 HydrophobicContact CG2-CE2 3.89Å; I47-F68 HydrophobicContact CG2-CG 3.88Å; F68-G70 PolarHBondContact O-N 3.02Å; F68-G70 VanDerWaalsContact O-N 3.16Å; F68-V71 PolarHBondContact N-O 3.47Å; F68-V71 PolarHBondContact O-N 3.32Å; F68-Y73 HydrophobicContact CB-CD2 4.35Å; F68-Y73 HydrophobicContact CB-CE2 3.91Å
69N72.3Confident84.5Confident142 Ų14270.6 Ų70.676%0.75937%0.373SS*.THydrogen-bonded Turntrans48.538.4-174.8-69-11.1000114.3V71N69-V71 PolarHBondContact O-N 3.27Å
70G70Confident84.5Confident74 Ų7468.5 Ų68.576%0.76336%0.357SS*.THydrogen-bonded Turntrans78.2-1.7-179.600000115.3F68F68-G70 PolarHBondContact O-N 3.02Å; F68-G70 VanDerWaalsContact O-N 3.16Å
71V72.3Confident84.5Confident66 Ų6669.3 Ų69.340%0.436%0.359SS..EExtended strand (participates in β ladder)trans-94.1131.8175.5-177.50000109.4Y67 F68 N69 Y73 P100Y67-V71 WeakPolarHBondContact CA-O 3.36Å; F68-V71 PolarHBondContact N-O 3.47Å; F68-V71 PolarHBondContact O-N 3.32Å; N69-V71 PolarHBondContact O-N 3.27Å; V71-Y73 HydrophobicContact CB-CE2 3.96Å; V71-Y73 HydrophobicContact CG1-CD2 4.39Å; V71-Y73 HydrophobicContact CG1-CE2 3.95Å; V71-Y73 WeakPolarHBondContact O-CD2 3.27Å; V71-P100 HydrophobicContact CG1-CB 3.67Å
72K80.4Confident84.5Confident88 Ų8868.4 Ų68.438%0.38335%0.354SS..EExtended strand (participates in β ladder)trans-81.9134.8176.4-165.1174.8-173.4168.50110.7E66 Y67 P100 I101E66-K72 CarbonylContact O-C 3.15Å; E66-K72 VanDerWaalsContact O-CA 3.31Å; E66-K72 WeakPolarHBondContact O-CA 3.32Å; E66-K72 IonicContact OE1-NZ 2.66Å; Y67-K72 HydrophobicContact CD1-CB 4.07Å; Y67-K72 HydrophobicContact CD1-CG 4.31Å; Y67-K72 HydrophobicContact CE1-CB 3.71Å; Y67-K72 HydrophobicContact CE1-CD 4.07Å; Y67-K72 HydrophobicContact CE1-CG 3.76Å; K72-P100 CarbonylContact O-C 3.46Å; K72-I101 HydrophobicContact CG-CD1 4.38Å; K72-I101 PolarHBondContact O-N 3.01Å
73Y81.5Confident84.6Confident50 Ų5066.4 Ų66.420%0.19635%0.347CS..BIsolated β-bridgetrans-115.8157.2-179.9-76.7-103.9000112.3P65 E66 F68 V71 T75 C98 P100 I101P65-Y73 VanDerWaalsContact O-CB 3.27Å; P65-Y73 WeakPolarHBondContact O-CB 3.49Å; E66-Y73 PolarHBondContact O-N 3.03Å; F68-Y73 HydrophobicContact CB-CD2 4.35Å; F68-Y73 HydrophobicContact CB-CE2 3.91Å; V71-Y73 HydrophobicContact CB-CE2 3.96Å; V71-Y73 HydrophobicContact CG1-CD2 4.39Å; V71-Y73 HydrophobicContact CG1-CE2 3.95Å; V71-Y73 WeakPolarHBondContact O-CD2 3.27Å; Y73-T75 PolarHBondContact O-N 3.24Å; Y73-C98 HydrophobicContact CD1-CB 4.3Å; Y73-P100 HydrophobicContact CD1-CB 4.2Å; Y73-P100 HydrophobicContact CE1-CB 4Å; Y73-P100 HydrophobicContact CE1-CG 4.38Å; Y73-I101 WeakPolarHBondContact O-CD1 3.48Å
74N82.4Confident84.7Confident52 Ų5266 Ų6628%0.27834%0.341SS..  trans-77.3108.7178.3-170.6-10.8000110.5T76 E99 I101N74-T76 PolarHBondContact O-N 2.95Å; N74-T76 WeakPolarHBondContact OD1-CB 3.35Å; N74-T76 PolarHBondContact OD1-N 3.5Å; N74-T76 PolarHBondContact OD1-OG1 3.46Å; N74-E99 PolarHBondContact N-O 3.28Å; N74-I101 HydrophobicContact CB-CD1 4.24Å; N74-I101 HydrophobicContact CB-CG1 3.85Å
75T85.6Confident84.7Confident71 Ų7172.6 Ų72.644%0.43637%0.371SS..THydrogen-bonded Turntrans-76.8-2.8179.957.20000113.8E66 Y73 R77E66-T75 HydrophobicContact CB-CG2 3.98Å; E66-T75 HydrophobicContact CG-CG2 4.11Å; Y73-T75 PolarHBondContact O-N 3.24Å; T75-R77 PolarHBondContact O-N 3.41Å
76T87.1Confident84.8Confident117 Ų11776.5 Ų76.572%0.71839%0.391SS*.THydrogen-bonded Turntrans-71.5-19.4178.4-44.90000112.5N74N74-T76 PolarHBondContact O-N 2.95Å; N74-T76 WeakPolarHBondContact OD1-CB 3.35Å; N74-T76 PolarHBondContact OD1-N 3.5Å; N74-T76 PolarHBondContact OD1-OG1 3.46Å
77R88.7Confident84.8Confident100 Ų10072.4 Ų72.438%0.37738%0.376SS..SBendtrans-107.1162.6179.3-65.9-170.9-179.7-168.525.6110.9C64 T75 Q97C64-R77 PolarHBondContact N-O 3.5Å; C64-R77 PolarHBondContact SG-O 2.96Å; T75-R77 PolarHBondContact O-N 3.41Å; R77-Q97 HydrophobicContact CB-CB 4.04Å; R77-Q97 WeakPolarHBondContact CB-O 3.13Å; R77-Q97 WeakPolarHBondContact CD-O 3.29Å
78N91.8Very high85.3Confident43 Ų4369.5 Ų69.523%0.2337%0.372CS..EExtended strand (participates in β ladder)trans-112.6147.2-175.8-62.3-13000111.8E61 R62 Y80 Q97E61-N78 HydrophobicContact CB-CB 4.2Å; E61-N78 PolarHBondContact OE2-ND2 3.31Å; R62-N78 CarbonylContact O-C 3.6Å; R62-N78 VanDerWaalsContact O-CA 3.23Å; R62-N78 WeakPolarHBondContact O-CA 3.47Å; R62-N78 WeakPolarHBondContact O-CB 3.43Å; N78-Y80 HydrophobicContact CB-CE2 4.44Å; N78-Y80 VanDerWaalsContact O-CE2 3.27Å; N78-Y80 WeakPolarHBondContact O-CE2 3.46Å; N78-Q97 WeakPolarHBondContact O-CB 3.4Å
79A91.4Very high85.8Confident0 Ų067.9 Ų67.90%036%0.364CS..EExtended strand (participates in β ladder)trans-92.8149.6163.400000110.2W51 E61 R62 N94 Y95W51-A79 HydrophobicContact CH2-CB 4.4Å; E61-A79 WeakPolarHBondContact CA-O 3.28Å; R62-A79 PolarHBondContact N-O 3.37Å; R62-A79 PolarHBondContact O-N 3.33Å; A79-N94 WeakPolarHBondContact CA-O 3.41Å; A79-Y95 HydrophobicContact CB-CD1 3.5Å; A79-Y95 HydrophobicContact CB-CE1 3.4Å; A79-Y95 VanDerWaalsContact CB-CE1 3.4Å; A79-Y95 HydrophobicContact CB-CG 4.26Å
80Y92.4Very high86.6Confident71 Ų7161.8 Ų61.828%0.27833%0.333SS..EExtended strand (participates in β ladder)trans-123.6139.8-176-53.3-94.2000112L59 V60 E61 N78 N94 Q97L59-Y80 HydrophobicContact CD2-CD1 4.23Å; L59-Y80 HydrophobicContact CG-CD1 4.42Å; V60-Y80 CarbonylContact O-C 3.43Å; V60-Y80 VanDerWaalsContact O-CA 3.31Å; V60-Y80 WeakPolarHBondContact O-CA 3.41Å; E61-Y80 HydrophobicContact CB-CD1 3.89Å; E61-Y80 HydrophobicContact CB-CE1 3.87Å; N78-Y80 HydrophobicContact CB-CE2 4.44Å; N78-Y80 VanDerWaalsContact O-CE2 3.27Å; N78-Y80 WeakPolarHBondContact O-CE2 3.46Å; Y80-N94 PolarHBondContact N-O 3.49Å; Y80-N94 PolarHBondContact O-N 2.82Å; Y80-Q97 HydrophobicContact CE2-CG 4.28Å
81R91.9Very high87.4Confident34 Ų3464.5 Ų64.513%0.12834%0.341CS..EExtended strand (participates in β ladder)trans-140.1135172.9-164.3177.7-171.9-170.3-5.9110.2T43 W51 V60 W89 I93T43-R81 PolarHBondContact OG1-NH1 3.28Å; W51-R81 HydrophobicContact CD2-CB 3.88Å; W51-R81 HydrophobicContact CD2-CG 4.38Å; W51-R81 HydrophobicContact CE3-CB 3.5Å; W51-R81 HydrophobicContact CE3-CG 4.4Å; W51-R81 HydrophobicContact CH2-CB 3.42Å; W51-R81 VanDerWaalsContact CH2-CB 3.42Å; W51-R81 HydrophobicContact CZ2-CB 3.78Å; W51-R81 HydrophobicContact CZ3-CB 3.26Å; V60-R81 PolarHBondContact N-O 3.42Å; V60-R81 PolarHBondContact O-N 3.03Å; R81-W89 HydrophobicContact CB-CE3 4.36Å; R81-W89 HydrophobicContact CB-CZ3 4.38Å; R81-W89 HydrophobicContact CG-CE3 3.78Å; R81-W89 HydrophobicContact CG-CZ3 4.29Å; R81-W89 VanDerWaalsContact NH2-CB 3.32Å; R81-I93 HydrophobicContact CB-CG2 4.33Å; R81-I93 HydrophobicContact CG-CG1 4.05Å
82E92Very high88.1Confident94 Ų9470.2 Ų70.244%0.43936%0.36SS..EExtended strand (participates in β ladder)trans-96135.2-178.9-172.7179.217800110.6L59 A90L59-E82 HydrophobicContact CD1-CB 4.09Å; E82-A90 HydrophobicContact CB-CB 4.18Å; E82-A90 WeakPolarHBondContact O-CB 3.15Å; E82-A90 PolarHBondContact O-N 2.95Å
83C91.9Very high88.5Confident0 Ų067.8 Ų67.80%035%0.351CS..BIsolated β-bridgetrans-87.6111.5165.2179.70000108.7C40 A55 G57 A58 W89C40-C83 HydrophobicContact CB-CB 3.84Å; C40-C83 WeakPolarHBondContact CB-SG 3.41Å; C40-C83 PolarHBondContact N-SG 2.83Å; C40-C83 VanDerWaalsContact N-SG 3.37Å; C40-C83 WeakPolarHBondContact SG-CA 2.98Å; C40-C83 WeakPolarHBondContact SG-CB 3.47Å; C40-C83 CovalentContact SG-SG 2.02Å; C40-C83 PolarHBondContact SG-SG 3.15Å; A55-C83 WeakPolarHBondContact O-CB 3.06Å; A55-C83 PolarHBondContact O-SG 3Å; G57-C83 VanDerWaalsContact CA-O 3.31Å; G57-C83 WeakPolarHBondContact CA-O 3.36Å; G57-C83 PolarHBondContact N-O 3.31Å; A58-C83 PolarHBondContact O-N 3.42Å; C83-W89 HydrophobicContact CB-CE3 4.18Å; C83-W89 HydrophobicContact CB-CZ3 4.11Å
84L90.6Very high88.9Confident62 Ų6269.1 Ų69.133%0.32536%0.361SS..  trans-67155-178.3-60.4171000110.7N86 G87 T88 A90L84-N86 VanDerWaalsContact CB-OD1 3.3Å; L84-N86 WeakPolarHBondContact CB-OD1 3.38Å; L84-N86 PolarHBondContact O-N 2.82Å; L84-G87 PolarHBondContact O-N 3.07Å; L84-T88 VanDerWaalsContact CB-O 3.23Å; L84-T88 WeakPolarHBondContact CB-O 3.36Å; L84-T88 WeakPolarHBondContact CG-O 3.49Å; L84-T88 PolarHBondContact N-O 2.99Å; L84-A90 HydrophobicContact CD2-CB 4.38Å; L84-A90 HydrophobicContact CG-CB 4.38Å
85E88.4Confident89.2Confident142 Ų14268.9 Ų68.966%0.66436%0.357SS*.THydrogen-bonded Turntrans-54.9-23.8179.7-68-66.2166.600113.9S38 G87S38-E85 WeakPolarHBondContact CB-O 3.43Å; S38-E85 PolarHBondContact OG-O 3.32Å; E85-G87 VanDerWaalsContact C-N 3.27Å; E85-G87 PolarHBondContact O-N 3.27Å
86N88.1Confident89.3Confident107 Ų10769.3 Ų69.357%0.57236%0.363SS*.THydrogen-bonded Turntrans-80.21.5177.270.9-7000114.4L84 T88L84-N86 VanDerWaalsContact CB-OD1 3.3Å; L84-N86 WeakPolarHBondContact CB-OD1 3.38Å; L84-N86 PolarHBondContact O-N 2.82Å; N86-T88 PolarHBondContact ND2-OG1 3.29Å; N86-T88 WeakPolarHBondContact OD1-CB 3.44Å; N86-T88 PolarHBondContact OD1-N 2.91Å; N86-T88 PolarHBondContact OD1-OG1 2.98Å
87G84.2Confident89.3Confident17 Ų1767.1 Ų67.118%0.17535%0.345CS..SBendtrans80.415.5-177.300000114.5C40 L84 E85C40-G87 VanDerWaalsContact SG-C 3.54Å; L84-G87 PolarHBondContact O-N 3.07Å; E85-G87 VanDerWaalsContact C-N 3.27Å; E85-G87 PolarHBondContact O-N 3.27Å
88T90Very high89.1Confident67 Ų6763.1 Ų63.141%0.41133%0.332SS..  trans-111.4143.7174.765.30000111C40 L84 N86C40-T88 PolarHBondContact SG-O 2.86Å; L84-T88 VanDerWaalsContact CB-O 3.23Å; L84-T88 WeakPolarHBondContact CB-O 3.36Å; L84-T88 WeakPolarHBondContact CG-O 3.49Å; L84-T88 PolarHBondContact N-O 2.99Å; N86-T88 PolarHBondContact ND2-OG1 3.29Å; N86-T88 WeakPolarHBondContact OD1-CB 3.44Å; N86-T88 PolarHBondContact OD1-N 2.91Å; N86-T88 PolarHBondContact OD1-OG1 2.98Å
89W89.3Confident88.7Confident28 Ų2865.8 Ų65.811%0.10634%0.343CS..BIsolated β-bridgetrans-66.8141.7173.5-70.7108.3000111.4C40 N41 T43 W51 P52 V60 R81 C83 S91C40-W89 HydrophobicContact CB-CD2 3.74Å; C40-W89 VanDerWaalsContact CB-CE2 3.4Å; C40-W89 HydrophobicContact CB-CE3 4.32Å; C40-W89 HydrophobicContact CB-CG 4.08Å; C40-W89 HydrophobicContact CB-CH2 4.37Å; C40-W89 HydrophobicContact CB-CZ2 3.75Å; N41-W89 PolarHBondContact O-NE1 2.92Å; T43-W89 PolarHBondContact OG1-NE1 3.45Å; W51-W89 HydrophobicContact CB-CH2 4.22Å; W51-W89 HydrophobicContact CB-CZ2 3.96Å; P52-W89 WeakPolarHBondContact O-CH2 3.46Å; P52-W89 WeakPolarHBondContact O-CZ2 3.35Å; V60-W89 HydrophobicContact CB-CH2 4.32Å; V60-W89 HydrophobicContact CB-CZ3 4.23Å; V60-W89 HydrophobicContact CG2-CH2 3.82Å; V60-W89 HydrophobicContact CG2-CZ3 3.84Å; R81-W89 HydrophobicContact CB-CE3 4.36Å; R81-W89 HydrophobicContact CB-CZ3 4.38Å; R81-W89 HydrophobicContact CG-CE3 3.78Å; R81-W89 HydrophobicContact CG-CZ3 4.29Å; R81-W89 VanDerWaalsContact NH2-CB 3.32Å; C83-W89 HydrophobicContact CB-CE3 4.18Å; C83-W89 HydrophobicContact CB-CZ3 4.11Å; W89-S91 PolarHBondContact O-N 3.4Å
90A89.8Confident88.1Confident15 Ų1568.3 Ų68.312%0.12436%0.359CS..  trans-55136.1169.400000110.6E82 L84 K92E82-A90 HydrophobicContact CB-CB 4.18Å; E82-A90 WeakPolarHBondContact O-CB 3.15Å; E82-A90 PolarHBondContact O-N 2.95Å; L84-A90 HydrophobicContact CD2-CB 4.38Å; L84-A90 HydrophobicContact CG-CB 4.38Å; A90-K92 PolarHBondContact O-N 2.99Å
91S86.7Confident87.3Confident131 Ų13168.2 Ų68.292%0.91636%0.363SS*.SBendtrans-66.5-23.5-179-178.90000113W89W89-S91 PolarHBondContact O-N 3.4Å
92K86.2Confident86Confident185 Ų18571.2 Ų71.280%0.80438%0.381SS*.SBendtrans-108.2125.1-179.5-170.9176.4-179-179.40109.7A90A90-K92 PolarHBondContact O-N 2.99Å
93I89.5Confident84.8Confident37 Ų3772 Ų7219%0.1939%0.388CS..  trans-98.6136175.9-52.4172.6000108.3D45 W51 R81 Y95D45-I93 HydrophobicContact CB-CD1 3.78Å; D45-I93 WeakPolarHBondContact OD2-CD1 3.43Å; W51-I93 HydrophobicContact CH2-CG2 4.05Å; W51-I93 HydrophobicContact CZ2-CG2 3.5Å; W51-I93 VanDerWaalsContact CZ2-CG2 3.5Å; R81-I93 HydrophobicContact CB-CG2 4.33Å; R81-I93 HydrophobicContact CG-CG1 4.05Å; I93-Y95 HydrophobicContact CB-CD2 3.9Å; I93-Y95 HydrophobicContact CB-CE2 3.66Å; I93-Y95 HydrophobicContact CD1-CE2 4.16Å; I93-Y95 HydrophobicContact CG2-CD2 3.61Å; I93-Y95 HydrophobicContact CG2-CE2 3.23Å; I93-Y95 PolarHBondContact O-N 3.3Å
94N90Very high83.8Confident78 Ų7876.1 Ų76.142%0.41741%0.41SS..BIsolated β-bridgetrans-90.993.8-180-171.4-1.3000111A79 Y80 S96A79-N94 WeakPolarHBondContact CA-O 3.41Å; Y80-N94 PolarHBondContact N-O 3.49Å; Y80-N94 PolarHBondContact O-N 2.82Å; N94-S96 WeakPolarHBondContact OD1-CB 3.45Å; N94-S96 PolarHBondContact OD1-N 3.01Å; N94-S96 VanDerWaalsContact OD1-N 3.09Å; N94-S96 PolarHBondContact OD1-OG 2.71Å
95Y87.6Confident82.8Confident48 Ų4878 Ų7819%0.18842%0.416CS..  trans-94.712.5173.2-77.5-76.2000113.5D45 I47 T49 A79 I93 Q97 C98D45-Y95 PolarHBondContact OD2-OH 3.14Å; I47-Y95 HydrophobicContact CD1-CD2 4.27Å; I47-Y95 HydrophobicContact CD1-CE2 3.89Å; T49-Y95 VanDerWaalsContact CB-OH 3.23Å; T49-Y95 WeakPolarHBondContact CB-OH 3.42Å; T49-Y95 PolarHBondContact OG1-OH 2.91Å; A79-Y95 HydrophobicContact CB-CD1 3.5Å; A79-Y95 HydrophobicContact CB-CE1 3.4Å; A79-Y95 VanDerWaalsContact CB-CE1 3.4Å; A79-Y95 HydrophobicContact CB-CG 4.26Å; I93-Y95 HydrophobicContact CB-CD2 3.9Å; I93-Y95 HydrophobicContact CB-CE2 3.66Å; I93-Y95 HydrophobicContact CD1-CE2 4.16Å; I93-Y95 HydrophobicContact CG2-CD2 3.61Å; I93-Y95 HydrophobicContact CG2-CE2 3.23Å; I93-Y95 PolarHBondContact O-N 3.3Å; Y95-Q97 PolarHBondContact O-N 3.38Å; Y95-C98 HydrophobicContact CD1-CB 4.31Å; Y95-C98 WeakPolarHBondContact O-CB 3.32Å; Y95-C98 PolarHBondContact O-N 2.92Å
96S87.4Confident81.9Confident80 Ų8076.2 Ų76.256%0.55941%0.407SS*.THydrogen-bonded Turntrans-60.6-20.1-173.760.10000114.8N94N94-S96 WeakPolarHBondContact OD1-CB 3.45Å; N94-S96 PolarHBondContact OD1-N 3.01Å; N94-S96 VanDerWaalsContact OD1-N 3.09Å; N94-S96 PolarHBondContact OD1-OG 2.71Å
97Q87Confident81.3Confident71 Ų7178.4 Ų78.433%0.33241%0.408SS..THydrogen-bonded Turntrans-90.5-10.6177.8-62.9-68.8-37.400112.8R77 N78 Y80 Y95 E99R77-Q97 HydrophobicContact CB-CB 4.04Å; R77-Q97 WeakPolarHBondContact CB-O 3.13Å; R77-Q97 WeakPolarHBondContact CD-O 3.29Å; N78-Q97 WeakPolarHBondContact O-CB 3.4Å; Y80-Q97 HydrophobicContact CE2-CG 4.28Å; Y95-Q97 PolarHBondContact O-N 3.38Å; Q97-E99 PolarHBondContact O-N 3.07Å
98C85.2Confident81Confident16 Ų1683.1 Ų83.111%0.10842%0.423CS..  trans-86.491.5-178.9-590000110.1C64 Y73 Y95C64-C98 HydrophobicContact CB-CB 3.73Å; C64-C98 WeakPolarHBondContact CB-SG 3.47Å; C64-C98 WeakPolarHBondContact SG-CA 3.18Å; C64-C98 WeakPolarHBondContact SG-CB 3.38Å; C64-C98 CovalentContact SG-SG 2.02Å; C64-C98 PolarHBondContact SG-SG 3.26Å; Y73-C98 HydrophobicContact CD1-CB 4.3Å; Y95-C98 HydrophobicContact CD1-CB 4.31Å; Y95-C98 WeakPolarHBondContact O-CB 3.32Å; Y95-C98 PolarHBondContact O-N 2.92Å
99E82.8Confident80.5Confident99 Ų9981.4 Ų81.446%0.46341%0.409SS..  trans-91.3133.2177.7-67.6174.7177.300110.3N74 Q97 I101N74-E99 PolarHBondContact N-O 3.28Å; Q97-E99 PolarHBondContact O-N 3.07Å; E99-I101 PolarHBondContact O-N 3.41Å
100P79.1Confident80Confident52 Ų5283.2 Ų83.234%0.33842%0.421SS..BIsolated β-bridgetrans-64135.6173.126.3-32.4000109.8V71 K72 Y73 L102V71-P100 HydrophobicContact CG1-CB 3.67Å; K72-P100 CarbonylContact O-C 3.46Å; Y73-P100 HydrophobicContact CD1-CB 4.2Å; Y73-P100 HydrophobicContact CE1-CB 4Å; Y73-P100 HydrophobicContact CE1-CG 4.38Å; P100-L102 HydrophobicContact CB-CD1 3.76Å; P100-L102 HydrophobicContact CG-CD1 3.5Å; P100-L102 PolarHBondContact O-N 3.47Å
101I75.3Confident79.8Confident70 Ų7087.4 Ų87.436%0.35944%0.441SS..  trans-7681.8168-57169.2000106K72 Y73 N74 E99 D103K72-I101 HydrophobicContact CG-CD1 4.38Å; K72-I101 PolarHBondContact O-N 3.01Å; Y73-I101 WeakPolarHBondContact O-CD1 3.48Å; N74-I101 HydrophobicContact CB-CD1 4.24Å; N74-I101 HydrophobicContact CB-CG1 3.85Å; E99-I101 PolarHBondContact O-N 3.41Å; I101-D103 PolarHBondContact O-N 2.98Å; I101-D103 VanDerWaalsContact O-N 3.15Å
102L65.8Low79.8Confident97 Ų9783.8 Ų83.851%0.50841%0.41SS..  trans-71.1106.7161-77.791000105.9P100 D104P100-L102 HydrophobicContact CB-CD1 3.76Å; P100-L102 HydrophobicContact CG-CD1 3.5Å; P100-L102 PolarHBondContact O-N 3.47Å; L102-D104 PolarHBondContact O-N 3.23Å
103D66.6Low79.7Confident109 Ų10982 Ų8258%0.58340%0.399SS*.  trans-48.3122.9166.9-75.5-28.5000107.4I101 K105 Q106 R107I101-D103 PolarHBondContact O-N 2.98Å; I101-D103 VanDerWaalsContact O-N 3.15Å; D103-K105 HydrophobicContact CB-CB 4.32Å; D103-K105 CarbonylContact O-C 3.56Å; D103-K105 PolarHBondContact O-N 2.89Å; D103-Q106 WeakPolarHBondContact O-CB 3.43Å; D103-Q106 PolarHBondContact O-N 3.24Å; D103-R107 PolarHBondContact O-N 2.79Å
104D69.8Low79.6Confident88 Ų8888.7 Ų88.747%0.47142%0.422SS..Hα-helixtrans-52.8-25.3-178.8-123.1-11.6000111.1L102 R107 K108L102-D104 PolarHBondContact O-N 3.23Å; D104-R107 IonicContact OD1-CZ 3.53Å; D104-R107 IonicContact OD1-NE 2.93Å; D104-R107 IonicContact OD1-NH2 3.6Å; D104-R107 PolarHBondContact OD1-NH2 2.81Å; D104-K108 WeakPolarHBondContact O-CB 3.1Å; D104-K108 WeakPolarHBondContact O-CD 3.31Å; D104-K108 WeakPolarHBondContact O-CG 3.26Å; D104-K108 PolarHBondContact O-N 3.24Å; D104-K108 VanDerWaalsContact O-N 3.15Å
105K69.6Low79.6Confident101 Ų10188.3 Ų88.344%0.43942%0.419SS..Hα-helixtrans-55.7-61.6166.8-169.3169.7170.5146.40111.7D103 R107 K108 Y109 D334D103-K105 HydrophobicContact CB-CB 4.32Å; D103-K105 CarbonylContact O-C 3.56Å; D103-K105 PolarHBondContact O-N 2.89Å; K105-R107 VanDerWaalsContact C-N 3.33Å; K105-R107 PolarHBondContact O-N 3.41Å; K105-K108 WeakPolarHBondContact O-CB 3.38Å; K105-K108 PolarHBondContact O-N 3Å; K105-Y109 HydrophobicContact CD-CE2 4.25Å; K105-Y109 HydrophobicContact CG-CD2 3.71Å; K105-Y109 HydrophobicContact CG-CE2 3.51Å; K105-Y109 WeakPolarHBondContact O-CD2 3.09Å; K105-Y109 PolarHBondContact O-N 3.33Å; K105-D334 WeakPolarHBondContact CE-OD1 3.33Å; K105-D334 IonicContact NZ-OD1 2.84Å; K105-D334 PolarHBondContact NZ-OD1 3.5Å; K105-D334 IonicContact NZ-OD2 2.58Å; K105-D334 PolarHBondContact NZ-OD2 3.49Å
106Q70.2Confident79.7Confident105 Ų10586.1 Ų86.149%0.49141%0.411SS..Hα-helixtrans-55.8-44.7-178.4-170.463.925.900112.3D103 K108 Y109 D110D103-Q106 WeakPolarHBondContact O-CB 3.43Å; D103-Q106 PolarHBondContact O-N 3.24Å; Q106-K108 VanDerWaalsContact C-N 3.33Å; Q106-K108 PolarHBondContact O-N 3.01Å; Q106-Y109 PolarHBondContact O-N 3.37Å; Q106-D110 PolarHBondContact NE2-OD1 2.99Å; Q106-D110 PolarHBondContact O-N 3.39Å
107R74.6Confident79.7Confident153 Ų15385.5 Ų85.558%0.57740%0.401SS*.Hα-helixtrans-61.5-40.7177.3-174.2176.566.5167.6-3.8112.3D103 D104 K105 L111D103-R107 PolarHBondContact O-N 2.79Å; D104-R107 IonicContact OD1-CZ 3.53Å; D104-R107 IonicContact OD1-NE 2.93Å; D104-R107 IonicContact OD1-NH2 3.6Å; D104-R107 PolarHBondContact OD1-NH2 2.81Å; K105-R107 VanDerWaalsContact C-N 3.33Å; K105-R107 PolarHBondContact O-N 3.41Å; R107-L111 PolarHBondContact O-N 2.83Å; R107-L111 VanDerWaalsContact O-N 3.11Å
108K78.2Confident79.9Confident116 Ų11686.2 Ų86.250%0.50441%0.41SS..Hα-helixtrans-64.7-44.1174.5-74.4168.8-174171.60111D104 K105 Q106 L111 H112D104-K108 WeakPolarHBondContact O-CB 3.1Å; D104-K108 WeakPolarHBondContact O-CD 3.31Å; D104-K108 WeakPolarHBondContact O-CG 3.26Å; D104-K108 PolarHBondContact O-N 3.24Å; D104-K108 VanDerWaalsContact O-N 3.15Å; K105-K108 WeakPolarHBondContact O-CB 3.38Å; K105-K108 PolarHBondContact O-N 3Å; Q106-K108 VanDerWaalsContact C-N 3.33Å; Q106-K108 PolarHBondContact O-N 3.01Å; K108-L111 PolarHBondContact O-N 3Å; K108-H112 PolarHBondContact O-CD2 2.9Å; K108-H112 PolarHBondContact O-N 3.43Å
109Y79.1Confident80.2Confident30 Ų3087.6 Ų87.612%0.11842%0.417CS..Hα-helixtrans-60.5-46.2176.5-86.9-81.5000112.3K105 Q106 L111 H112 Y113 D334 Q337 I338K105-Y109 HydrophobicContact CD-CE2 4.25Å; K105-Y109 HydrophobicContact CG-CD2 3.71Å; K105-Y109 HydrophobicContact CG-CE2 3.51Å; K105-Y109 WeakPolarHBondContact O-CD2 3.09Å; K105-Y109 PolarHBondContact O-N 3.33Å; Q106-Y109 PolarHBondContact O-N 3.37Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 2.89Å; Y109-H112 PolarHBondContact O-N 2.86Å; Y109-Y113 VanDerWaalsContact O-CB 3.28Å; Y109-Y113 WeakPolarHBondContact O-CB 3.44Å; Y109-Y113 PolarHBondContact O-N 3.11Å; Y109-D334 HydrophobicContact CE2-CB 4.24Å; Y109-D334 WeakPolarHBondContact CE2-OD1 3.2Å; Y109-D334 WeakPolarHBondContact OH-CA 3.31Å; Y109-D334 WeakPolarHBondContact OH-CB 3.39Å; Y109-D334 PolarHBondContact OH-OD1 2.95Å; Y109-Q337 HydrophobicContact CE1-CB 4.02Å; Y109-Q337 PolarHBondContact OH-OE1 3.48Å; Y109-Q337 VanDerWaalsContact OH-OE1 3.06Å; Y109-I338 HydrophobicContact CD1-CG1 4.43Å; Y109-I338 HydrophobicContact CE1-CG1 4.12Å
110D79.7Confident80.5Confident67 Ų6783.6 Ų83.636%0.35840%0.399SS..Hα-helixtrans-61.3-40.5177.3-74.6-8.8000111.9Q106 Y113 R114Q106-D110 PolarHBondContact NE2-OD1 2.99Å; Q106-D110 PolarHBondContact O-N 3.39Å; D110-Y113 PolarHBondContact O-N 2.94Å; D110-R114 WeakPolarHBondContact O-CB 3.42Å; D110-R114 WeakPolarHBondContact O-CG 3.21Å; D110-R114 PolarHBondContact O-N 3.23Å
111L86.1Confident81.2Confident103 Ų10386.9 Ų86.954%0.53941%0.406SS..Hα-helixtrans-63.2-49.2175179.464.4000111.2R107 K108 Y109 Y113 R114 I115R107-L111 PolarHBondContact O-N 2.83Å; R107-L111 VanDerWaalsContact O-N 3.11Å; K108-L111 PolarHBondContact O-N 3Å; Y109-L111 VanDerWaalsContact C-N 3.32Å; Y109-L111 PolarHBondContact O-N 2.89Å; L111-Y113 VanDerWaalsContact C-N 3.3Å; L111-Y113 PolarHBondContact O-N 3.42Å; L111-R114 PolarHBondContact O-N 3.37Å; L111-I115 HydrophobicContact CD1-CD1 4.19Å; L111-I115 HydrophobicContact CD1-CG1 4.48Å; L111-I115 HydrophobicContact CG-CD1 4Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.16Å; L111-I115 PolarHBondContact O-N 3.27Å
112H86.6Confident82.1Confident55 Ų5588.2 Ų88.226%0.25541%0.413SS..Hα-helixtrans-62.1-39178.1-77.4-62.3000112.1K108 Y109 I115 A116 I338 Y342K108-H112 PolarHBondContact O-CD2 2.9Å; K108-H112 PolarHBondContact O-N 3.43Å; Y109-H112 PolarHBondContact O-N 2.86Å; H112-I115 PolarHBondContact O-N 3.34Å; H112-A116 WeakPolarHBondContact O-CB 3.18Å; H112-A116 PolarHBondContact O-N 2.97Å; H112-I338 HydrophobicContact CB-CG1 4.46Å; H112-I338 HydrophobicContact CB-CG2 4.22Å; H112-Y342 HydrophobicContact CB-CE2 4.31Å; H112-Y342 AromaticContact ND1-CE2 3.44Å; H112-Y342 WeakPolarHBondContact ND1-CE2 3.44Å; H112-Y342 AromaticContact ND1-CZ 3.63Å; H112-Y342 PolarHBondContact ND1-OH 2.84Å
113Y84.1Confident83.4Confident148 Ų14883.6 Ų83.658%0.5839%0.389SS*.Hα-helixtrans-63.1-46.6175-178.6-100.5000111.9Y109 D110 L111 I115 A116 L117Y109-Y113 VanDerWaalsContact O-CB 3.28Å; Y109-Y113 WeakPolarHBondContact O-CB 3.44Å; Y109-Y113 PolarHBondContact O-N 3.11Å; D110-Y113 PolarHBondContact O-N 2.94Å; L111-Y113 VanDerWaalsContact C-N 3.3Å; L111-Y113 PolarHBondContact O-N 3.42Å; Y113-I115 PolarHBondContact O-N 2.99Å; Y113-A116 WeakPolarHBondContact O-CB 3.43Å; Y113-A116 PolarHBondContact O-N 2.96Å; Y113-L117 PolarHBondContact O-N 3.3Å
114R87.7Confident84.7Confident177 Ų17778.6 Ų78.667%0.66836%0.362SS*.Hα-helixtrans-60.2-43.4175-74.7178.8-166.9-94.70.7112.1D110 L111 A116 L117 V118D110-R114 WeakPolarHBondContact O-CB 3.42Å; D110-R114 WeakPolarHBondContact O-CG 3.21Å; D110-R114 PolarHBondContact O-N 3.23Å; L111-R114 PolarHBondContact O-N 3.37Å; R114-A116 VanDerWaalsContact C-N 3.34Å; R114-L117 WeakPolarHBondContact O-CB 3.43Å; R114-L117 PolarHBondContact O-N 3.39Å; R114-V118 WeakPolarHBondContact O-CG2 3.34Å; R114-V118 PolarHBondContact O-N 3.09Å; R114-V118 VanDerWaalsContact O-N 3.09Å
115I90.2Very high85.9Confident70 Ų7076.7 Ų76.736%0.35936%0.355SS..Hα-helixtrans-63.6-43.1176-62.8165.2000110.2L111 H112 Y113 L117 V118 V119 Y342L111-I115 HydrophobicContact CD1-CD1 4.19Å; L111-I115 HydrophobicContact CD1-CG1 4.48Å; L111-I115 HydrophobicContact CG-CD1 4Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.16Å; L111-I115 PolarHBondContact O-N 3.27Å; H112-I115 PolarHBondContact O-N 3.34Å; Y113-I115 PolarHBondContact O-N 2.99Å; I115-L117 VanDerWaalsContact C-N 3.3Å; I115-L117 PolarHBondContact O-N 3.35Å; I115-V118 PolarHBondContact O-N 3.07Å; I115-V119 WeakPolarHBondContact O-CG2 3.43Å; I115-V119 PolarHBondContact O-N 3.3Å; I115-Y342 HydrophobicContact CB-CE1 4.25Å; I115-Y342 WeakPolarHBondContact CB-OH 3.42Å; I115-Y342 HydrophobicContact CG2-CE1 3.8Å; I115-Y342 WeakPolarHBondContact CG2-OH 3.35Å
116A88.1Confident87.1Confident2 Ų275 Ų752%0.01735%0.353CS..Hα-helixtrans-61.7-37.9177.200000112.1H112 Y113 R114 V119 N120 I341 Y342H112-A116 WeakPolarHBondContact O-CB 3.18Å; H112-A116 PolarHBondContact O-N 2.97Å; Y113-A116 WeakPolarHBondContact O-CB 3.43Å; Y113-A116 PolarHBondContact O-N 2.96Å; R114-A116 VanDerWaalsContact C-N 3.34Å; A116-V119 PolarHBondContact O-N 3.38Å; A116-N120 VanDerWaalsContact O-CB 3.25Å; A116-N120 WeakPolarHBondContact O-CB 3.18Å; A116-N120 PolarHBondContact O-N 3.44Å; A116-I341 HydrophobicContact CB-CG2 3.68Å; A116-Y342 HydrophobicContact CB-CD1 4.25Å; A116-Y342 HydrophobicContact CB-CE1 4.18Å
117L87.9Confident88.3Confident66 Ų6670 Ų7035%0.34633%0.329SS..Hα-helixtrans-62.7-43.2174-174.966000111.8Y113 R114 I115 N120 Y121Y113-L117 PolarHBondContact O-N 3.3Å; R114-L117 WeakPolarHBondContact O-CB 3.43Å; R114-L117 PolarHBondContact O-N 3.39Å; I115-L117 VanDerWaalsContact C-N 3.3Å; I115-L117 PolarHBondContact O-N 3.35Å; L117-N120 PolarHBondContact O-N 3.28Å; L117-Y121 WeakPolarHBondContact O-CB 3.33Å; L117-Y121 PolarHBondContact O-N 2.71Å
118V91Very high89.3Confident86 Ų8664 Ų6452%0.52131%0.31SS..Hα-helixtrans-62.6-45.1175.1174.10000111.1R114 I115 N120 Y121 L122R114-V118 WeakPolarHBondContact O-CG2 3.34Å; R114-V118 PolarHBondContact O-N 3.09Å; R114-V118 VanDerWaalsContact O-N 3.09Å; I115-V118 PolarHBondContact O-N 3.07Å; V118-N120 VanDerWaalsContact C-N 3.31Å; V118-N120 PolarHBondContact O-N 3.16Å; V118-Y121 PolarHBondContact O-N 3.45Å; V118-L122 HydrophobicContact CG1-CD1 4.16Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 3.09Å
119V91.1Very high90.2Very high45 Ų4561.5 Ų61.527%0.27331%0.311SS..Hα-helixtrans-59.9-43.6175.6171.20000110.8I115 A116 L122 G123I115-V119 WeakPolarHBondContact O-CG2 3.43Å; I115-V119 PolarHBondContact O-N 3.3Å; A116-V119 PolarHBondContact O-N 3.38Å; V119-L122 PolarHBondContact O-N 3Å; V119-G123 PolarHBondContact O-N 3.46Å
120N90.1Very high90.9Very high15 Ų1560.8 Ų60.88%0.0831%0.311CS..Hα-helixtrans-63.7-45179-173.1-92.9000111.5A116 L117 V118 G123 H124 W166 S345 S349A116-N120 VanDerWaalsContact O-CB 3.25Å; A116-N120 WeakPolarHBondContact O-CB 3.18Å; A116-N120 PolarHBondContact O-N 3.44Å; L117-N120 PolarHBondContact O-N 3.28Å; V118-N120 VanDerWaalsContact C-N 3.31Å; V118-N120 PolarHBondContact O-N 3.16Å; N120-G123 PolarHBondContact O-N 3.1Å; N120-H124 PolarHBondContact O-CD2 2.89Å; N120-H124 PolarHBondContact O-N 3.04Å; N120-H124 PolarHBondContact OD1-CD2 3.37Å; N120-H124 PolarHBondContact OD1-NE2 3.29Å; N120-W166 WeakPolarHBondContact OD1-CZ2 3.27Å; N120-S345 PolarHBondContact ND2-O 2.81Å; N120-S349 WeakPolarHBondContact O-CB 3.3Å
121Y92.5Very high91.7Very high121 Ų12157.6 Ų57.648%0.47529%0.294SS..Hα-helixtrans-57.5-53.1174.9-177-88.2000111.9L117 V118 G123 H124 C125 W166 F167L117-Y121 WeakPolarHBondContact O-CB 3.33Å; L117-Y121 PolarHBondContact O-N 2.71Å; V118-Y121 PolarHBondContact O-N 3.45Å; Y121-G123 VanDerWaalsContact C-N 3.3Å; Y121-G123 PolarHBondContact O-N 2.66Å; Y121-H124 PolarHBondContact O-N 3.31Å; Y121-C125 VanDerWaalsContact CE1-SG 3.59Å; Y121-C125 PolarHBondContact O-N 3.16Å; Y121-C125 PolarHBondContact O-SG 2.65Å; Y121-W166 AromaticContact CD2-CH2 3.99Å; Y121-W166 HydrophobicContact CD2-CH2 3.99Å; Y121-W166 AromaticContact CD2-CZ3 3.92Å; Y121-W166 HydrophobicContact CD2-CZ3 3.92Å; Y121-W166 HydrophobicContact CG-CH2 4.45Å; Y121-F167 HydrophobicContact CD2-CD1 4.47Å; Y121-F167 AromaticContact CD2-CE1 3.96Å; Y121-F167 HydrophobicContact CD2-CE1 3.96Å; Y121-F167 HydrophobicContact CE2-CD1 4Å; Y121-F167 AromaticContact CE2-CE1 3.64Å; Y121-F167 HydrophobicContact CE2-CE1 3.64Å
122L94.3Very high92.1Very high99 Ų9955.6 Ų55.652%0.51829%0.286SS..Hα-helixtrans-59.6-41.8177.8-68.7175.7000111.6V118 V119 C125 V126V118-L122 HydrophobicContact CG1-CD1 4.16Å; V118-L122 WeakPolarHBondContact O-CG 3.3Å; V118-L122 PolarHBondContact O-N 3.09Å; V119-L122 PolarHBondContact O-N 3Å; L122-C125 PolarHBondContact O-N 3.35Å; L122-V126 WeakPolarHBondContact O-CG2 3.49Å; L122-V126 PolarHBondContact O-N 3.4Å
123G93.8Very high92.4Very high0 Ų055.1 Ų55.10%029%0.292CS..Hα-helixtrans-61.4-44.1176.300000112.6V119 N120 Y121 V126 S127V119-G123 PolarHBondContact O-N 3.46Å; N120-G123 PolarHBondContact O-N 3.1Å; Y121-G123 VanDerWaalsContact C-N 3.3Å; Y121-G123 PolarHBondContact O-N 2.66Å; G123-V126 PolarHBondContact O-N 3.44Å; G123-S127 WeakPolarHBondContact O-CB 3.34Å; G123-S127 PolarHBondContact O-N 3.42Å
124H93.5Very high92.8Very high4 Ų448.1 Ų48.12%0.01926%0.264CS..Hα-helixtrans-64.7-38.6175.5-78.4-63.4000112.4N120 Y121 S127 V128 N163 W166 F167N120-H124 PolarHBondContact O-CD2 2.89Å; N120-H124 PolarHBondContact O-N 3.04Å; N120-H124 PolarHBondContact OD1-CD2 3.37Å; N120-H124 PolarHBondContact OD1-NE2 3.29Å; Y121-H124 PolarHBondContact O-N 3.31Å; H124-S127 PolarHBondContact O-N 2.96Å; H124-V128 WeakPolarHBondContact O-CG2 3.32Å; H124-V128 PolarHBondContact O-N 2.98Å; H124-N163 PolarHBondContact CE1-OD1 2.98Å; H124-N163 VanDerWaalsContact CE1-OD1 3.29Å; H124-N163 PolarHBondContact ND1-OD1 3.45Å; H124-W166 HydrophobicContact CB-CE3 4.01Å; H124-W166 HydrophobicContact CB-CZ3 4.04Å; H124-W166 AromaticContact CD2-CD2 3.65Å; H124-W166 AromaticContact CD2-CE2 3.79Å; H124-W166 AromaticContact CD2-CE3 3.69Å; H124-W166 AromaticContact CD2-CZ2 4Å; H124-W166 AromaticContact CD2-CZ3 3.86Å; H124-W166 AromaticContact CG-CE3 3.9Å; H124-F167 HydrophobicContact CB-CE2 4.24Å; H124-F167 HydrophobicContact CB-CZ 3.9Å
125C95.4Very high93Very high48 Ų4842.1 Ų42.132%0.32424%0.243SC..Hα-helixtrans-59.9-51.1174.5-670000111.7Y121 L122 S127 V128 A129 F167Y121-C125 VanDerWaalsContact CE1-SG 3.59Å; Y121-C125 PolarHBondContact O-N 3.16Å; Y121-C125 PolarHBondContact O-SG 2.65Å; L122-C125 PolarHBondContact O-N 3.35Å; C125-S127 VanDerWaalsContact C-N 3.31Å; C125-S127 PolarHBondContact O-N 2.92Å; C125-V128 PolarHBondContact O-N 3.4Å; C125-A129 PolarHBondContact O-N 2.91Å; C125-F167 HydrophobicContact CB-CZ 4.5Å; C125-F167 VanDerWaalsContact SG-CZ 3.6Å
126V95.4Very high93.1Very high64 Ų6443.7 Ų43.739%0.38825%0.252SS..Hα-helixtrans-61.5-42.7178.8173.10000110.8L122 G123 A129 A130 F350 F353L122-V126 WeakPolarHBondContact O-CG2 3.49Å; L122-V126 PolarHBondContact O-N 3.4Å; G123-V126 PolarHBondContact O-N 3.44Å; V126-A129 PolarHBondContact O-N 3.45Å; V126-A130 WeakPolarHBondContact O-CB 3.36Å; V126-A130 PolarHBondContact O-N 3.05Å; V126-F350 HydrophobicContact CB-CE1 4.23Å; V126-F350 HydrophobicContact CG1-CE1 4.13Å; V126-F353 HydrophobicContact CG1-CD2 3.81Å; V126-F353 HydrophobicContact CG1-CE2 4.22Å; V126-F353 HydrophobicContact CG1-CG 4.31Å
127S95.5Very high93.1Very high0 Ų045.7 Ų45.70%026%0.262CS..Hα-helixtrans-60.1-49.7177.8-169.50000111.8G123 H124 C125 A130 L131 N163 S349 G352 F353G123-S127 WeakPolarHBondContact O-CB 3.34Å; G123-S127 PolarHBondContact O-N 3.42Å; H124-S127 PolarHBondContact O-N 2.96Å; C125-S127 VanDerWaalsContact C-N 3.31Å; C125-S127 PolarHBondContact O-N 2.92Å; S127-A130 PolarHBondContact O-N 3.29Å; S127-L131 WeakPolarHBondContact O-CB 3.46Å; S127-L131 WeakPolarHBondContact O-CD1 3.21Å; S127-L131 WeakPolarHBondContact O-CG 3.11Å; S127-L131 PolarHBondContact O-N 3.42Å; S127-N163 PolarHBondContact OG-ND2 3.33Å; S127-S349 VanDerWaalsContact CB-O 3.31Å; S127-S349 WeakPolarHBondContact CB-O 3.02Å; S127-S349 PolarHBondContact OG-O 2.93Å; S127-G352 VanDerWaalsContact OG-CA 3.29Å; S127-G352 WeakPolarHBondContact OG-CA 2.92Å; S127-F353 PolarHBondContact OG-N 3.49Å; S127-F353 VanDerWaalsContact OG-N 3.16Å
128V95.4Very high93.1Very high28 Ų2843.5 Ų43.517%0.1725%0.25CC..Hα-helixtrans-61.7-46.4177.3170.40000111.7H124 C125 A130 L131 V132 N163 F167H124-V128 WeakPolarHBondContact O-CG2 3.32Å; H124-V128 PolarHBondContact O-N 2.98Å; C125-V128 PolarHBondContact O-N 3.4Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 3.45Å; V128-L131 PolarHBondContact O-N 3.4Å; V128-V132 HydrophobicContact CG1-CG2 4.08Å; V128-V132 WeakPolarHBondContact O-CB 3.41Å; V128-V132 VanDerWaalsContact O-CG2 3.29Å; V128-V132 WeakPolarHBondContact O-CG2 3.23Å; V128-V132 PolarHBondContact O-N 2.89Å; V128-N163 HydrophobicContact CG2-CB 3.3Å; V128-F167 HydrophobicContact CG2-CE2 4.04Å
129A96.1Very high92.9Very high64 Ų6443.6 Ų43.653%0.52925%0.247SC..Hα-helixtrans-57.9-46179.400000111.8C125 V126 A133C125-A129 PolarHBondContact O-N 2.91Å; V126-A129 PolarHBondContact O-N 3.45Å; A129-A133 WeakPolarHBondContact O-CB 3.19Å; A129-A133 PolarHBondContact O-N 2.91Å; A129-A133 VanDerWaalsContact O-N 3.07Å
130A95.6Very high92.7Very high14 Ų1445.1 Ų45.112%0.11626%0.264CS..Hα-helixtrans-67.6-39.8178.500000112.7V126 S127 V128 A133 A134 F353 S356 F361V126-A130 WeakPolarHBondContact O-CB 3.36Å; V126-A130 PolarHBondContact O-N 3.05Å; S127-A130 PolarHBondContact O-N 3.29Å; V128-A130 VanDerWaalsContact C-N 3.33Å; V128-A130 PolarHBondContact O-N 3.45Å; A130-A133 PolarHBondContact O-N 3.01Å; A130-A134 WeakPolarHBondContact O-CB 3.29Å; A130-A134 PolarHBondContact O-N 3.07Å; A130-F353 HydrophobicContact CB-CD2 3.78Å; A130-F353 HydrophobicContact CB-CE2 4.44Å; A130-S356 WeakPolarHBondContact CB-OG 3.12Å; A130-F361 HydrophobicContact CB-CE2 4.44Å
131L95.1Very high92.4Very high0 Ų045 Ų450%026%0.264CS..Hα-helixtrans-66.3-42.5177-72.8163.9000112.3S127 V128 A134 F135 I156 F159 I160 G352S127-L131 WeakPolarHBondContact O-CB 3.46Å; S127-L131 WeakPolarHBondContact O-CD1 3.21Å; S127-L131 WeakPolarHBondContact O-CG 3.11Å; S127-L131 PolarHBondContact O-N 3.42Å; V128-L131 PolarHBondContact O-N 3.4Å; L131-A134 PolarHBondContact O-N 3.17Å; L131-F135 VanDerWaalsContact O-CB 3.29Å; L131-F135 WeakPolarHBondContact O-CB 3.33Å; L131-F135 PolarHBondContact O-N 3.04Å; L131-I156 HydrophobicContact CD2-CB 4.45Å; L131-I156 HydrophobicContact CD2-CG1 4.34Å; L131-I156 HydrophobicContact CD2-CG2 3.94Å; L131-F159 HydrophobicContact CD1-CB 3.63Å; L131-F159 HydrophobicContact CD2-CB 4.05Å; L131-I160 HydrophobicContact CB-CD1 4.19Å; L131-I160 HydrophobicContact CB-CG1 3.69Å; L131-I160 HydrophobicContact CD1-CG1 4.27Å; L131-G352 WeakPolarHBondContact CD2-O 3.43Å
132V94.8Very high91.7Very high62 Ų6248.5 Ų48.538%0.37628%0.276SS..Hα-helixtrans-63.1-45.4176.2170.60000110V128 A134 F135 L136V128-V132 HydrophobicContact CG1-CG2 4.08Å; V128-V132 WeakPolarHBondContact O-CB 3.41Å; V128-V132 VanDerWaalsContact O-CG2 3.29Å; V128-V132 WeakPolarHBondContact O-CG2 3.23Å; V128-V132 PolarHBondContact O-N 2.89Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 3.34Å; V132-F135 PolarHBondContact O-N 3.39Å; V132-L136 HydrophobicContact CG1-CD1 4.04Å; V132-L136 HydrophobicContact CG1-CG 4.36Å; V132-L136 WeakPolarHBondContact O-CB 3.35Å; V132-L136 VanDerWaalsContact O-CG 3.29Å; V132-L136 WeakPolarHBondContact O-CG 3.14Å; V132-L136 PolarHBondContact O-N 3.11Å
133A94.1Very high90.6Very high45 Ų4548.4 Ų48.437%0.37228%0.283SS..Hα-helixtrans-59.1-43.4174.600000112A129 A130 L137 F361A129-A133 WeakPolarHBondContact O-CB 3.19Å; A129-A133 PolarHBondContact O-N 2.91Å; A129-A133 VanDerWaalsContact O-N 3.07Å; A130-A133 PolarHBondContact O-N 3.01Å; A133-L137 WeakPolarHBondContact O-CB 3.46Å; A133-L137 PolarHBondContact O-N 3.32Å; A133-F361 HydrophobicContact CB-CZ 3.94Å
134A92.4Very high89.8Confident0 Ų049.3 Ų49.30%029%0.288CS..Hα-helixtrans-63.8-43.3175.400000112.3A130 L131 V132 L137 F138 C360 F361A130-A134 WeakPolarHBondContact O-CB 3.29Å; A130-A134 PolarHBondContact O-N 3.07Å; L131-A134 PolarHBondContact O-N 3.17Å; V132-A134 VanDerWaalsContact C-N 3.33Å; V132-A134 PolarHBondContact O-N 3.34Å; A134-L137 WeakPolarHBondContact O-CB 3.26Å; A134-L137 PolarHBondContact O-N 3.03Å; A134-F138 WeakPolarHBondContact O-CD2 3.44Å; A134-F138 PolarHBondContact O-N 3.35Å; A134-C360 HydrophobicContact CB-CB 3.72Å; A134-F361 HydrophobicContact CB-CE2 4.5Å
135F91.4Very high89Confident52 Ų5256.3 Ų56.323%0.22831%0.314CS..Hα-helixtrans-61.1-47177.9-172-86.7000111.4L131 V132 L137 F138 L139 W153 I156 T157 I160L131-F135 VanDerWaalsContact O-CB 3.29Å; L131-F135 WeakPolarHBondContact O-CB 3.33Å; L131-F135 PolarHBondContact O-N 3.04Å; V132-F135 PolarHBondContact O-N 3.39Å; F135-L137 VanDerWaalsContact C-N 3.31Å; F135-L137 PolarHBondContact O-N 2.82Å; F135-F138 PolarHBondContact O-N 3.03Å; F135-L139 HydrophobicContact CD1-CD1 3.8Å; F135-L139 HydrophobicContact CD1-CG 4.16Å; F135-L139 HydrophobicContact CE1-CD1 3.62Å; F135-L139 HydrophobicContact CE1-CD2 4.43Å; F135-L139 HydrophobicContact CE1-CG 4.07Å; F135-L139 WeakPolarHBondContact O-CG 3.21Å; F135-L139 PolarHBondContact O-N 2.85Å; F135-W153 AromaticContact CD2-CD1 3.86Å; F135-W153 AromaticContact CD2-NE1 3.61Å; F135-W153 AromaticContact CE2-CD1 3.61Å; F135-W153 AromaticContact CE2-NE1 2.99Å; F135-W153 HydrophobicContact CZ-CZ2 4.48Å; F135-W153 AromaticContact CZ-NE1 3.48Å; F135-I156 HydrophobicContact CB-CG2 4.36Å; F135-I156 HydrophobicContact CD2-CG2 4.32Å; F135-T157 WeakPolarHBondContact CE2-OG1 3.47Å; F135-I160 HydrophobicContact CB-CD1 3.97Å; F135-I160 HydrophobicContact CD2-CD1 3.88Å; F135-I160 HydrophobicContact CG-CD1 4.11Å
136L91.2Very high88.3Confident102 Ų10257.6 Ų57.653%0.53432%0.323SS..Hα-helixtrans-61.4-38.8175.3-68.7175000112V132 L139 A140V132-L136 HydrophobicContact CG1-CD1 4.04Å; V132-L136 HydrophobicContact CG1-CG 4.36Å; V132-L136 WeakPolarHBondContact O-CB 3.35Å; V132-L136 VanDerWaalsContact O-CG 3.29Å; V132-L136 WeakPolarHBondContact O-CG 3.14Å; V132-L136 PolarHBondContact O-N 3.11Å; L136-L139 HydrophobicContact CD2-CD1 4.41Å; L136-L139 PolarHBondContact O-N 3.25Å; L136-A140 PolarHBondContact O-N 3.48Å
137L89.7Confident87.8Confident45 Ų4556 Ų5624%0.23631%0.312CS..Hα-helixtrans-63-44.9175.7-16294000111.7A133 A134 F135 L139 A140 L141 C360 V366 V370A133-L137 WeakPolarHBondContact O-CB 3.46Å; A133-L137 PolarHBondContact O-N 3.32Å; A134-L137 WeakPolarHBondContact O-CB 3.26Å; A134-L137 PolarHBondContact O-N 3.03Å; F135-L137 VanDerWaalsContact C-N 3.31Å; F135-L137 PolarHBondContact O-N 2.82Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 3.37Å; L137-A140 PolarHBondContact O-N 3.06Å; L137-L141 HydrophobicContact CD2-CD1 3.95Å; L137-L141 HydrophobicContact CG-CD1 3.91Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 3.38Å; L137-C360 WeakPolarHBondContact CD2-SG 3.29Å; L137-V366 HydrophobicContact CD2-CG1 3.16Å; L137-V366 HydrophobicContact CG-CG1 4.49Å; L137-V370 HydrophobicContact CD1-CG2 3.88Å; L137-V370 HydrophobicContact CD2-CG2 4.1Å; L137-V370 HydrophobicContact CG-CG2 4.29Å
138F86.1Confident87.4Confident19 Ų1961 Ų618%0.08333%0.331CS..Hα-helixtrans-63.1-37.4176.1-80.4-65.3000112.4A134 F135 L141 I144 I156 C360 V366A134-F138 WeakPolarHBondContact O-CD2 3.44Å; A134-F138 PolarHBondContact O-N 3.35Å; F135-F138 PolarHBondContact O-N 3.03Å; F138-L141 PolarHBondContact O-N 3.19Å; F138-I144 HydrophobicContact CD1-CD1 3.7Å; F138-I144 HydrophobicContact CE1-CD1 3.78Å; F138-I156 HydrophobicContact CD2-CD1 3.98Å; F138-I156 HydrophobicContact CE2-CD1 3.51Å; F138-C360 HydrophobicContact CE2-CB 3.84Å; F138-C360 HydrophobicContact CZ-CB 4.21Å; F138-V366 HydrophobicContact CE1-CG2 4.39Å
139L87Confident87Confident89 Ų8960 Ų6047%0.46633%0.325SS..Hα-helixtrans-62.8-43.3173.6-71.4179.2000112.2F135 L136 L137 L141 W153F135-L139 HydrophobicContact CD1-CD1 3.8Å; F135-L139 HydrophobicContact CD1-CG 4.16Å; F135-L139 HydrophobicContact CE1-CD1 3.62Å; F135-L139 HydrophobicContact CE1-CD2 4.43Å; F135-L139 HydrophobicContact CE1-CG 4.07Å; F135-L139 WeakPolarHBondContact O-CG 3.21Å; F135-L139 PolarHBondContact O-N 2.85Å; L136-L139 HydrophobicContact CD2-CD1 4.41Å; L136-L139 PolarHBondContact O-N 3.25Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 3.37Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 PolarHBondContact O-N 2.88Å; L139-W153 HydrophobicContact CD2-CH2 4.08Å; L139-W153 HydrophobicContact CD2-CZ2 3.72Å
140A86.8Confident86.6Confident77 Ų7758.6 Ų58.664%0.63631%0.309SS*.Hα-helixtrans-68.6-32.918000000112.7L136 L137 R142L136-A140 PolarHBondContact O-N 3.48Å; L137-A140 PolarHBondContact O-N 3.06Å; A140-R142 PolarHBondContact O-N 3.47Å
141L84.5Confident86.4Confident13 Ų1358.1 Ų58.17%0.06831%0.305CS..  trans-92.968-177.1-61.3174.1000111.5L137 F138 L139 S143 I144 V366 A369 V370L137-L141 HydrophobicContact CD2-CD1 3.95Å; L137-L141 HydrophobicContact CG-CD1 3.91Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 3.38Å; F138-L141 PolarHBondContact O-N 3.19Å; L139-L141 VanDerWaalsContact C-N 3.34Å; L139-L141 PolarHBondContact O-N 2.88Å; L141-S143 PolarHBondContact O-N 3.45Å; L141-I144 HydrophobicContact CB-CD1 3.97Å; L141-I144 HydrophobicContact CB-CG1 3.94Å; L141-I144 HydrophobicContact CD1-CD1 4.23Å; L141-I144 WeakPolarHBondContact O-CG1 3.44Å; L141-I144 PolarHBondContact O-N 2.88Å; L141-V366 HydrophobicContact CD1-CG1 4.04Å; L141-A369 HydrophobicContact CD1-CB 4.3Å; L141-A369 HydrophobicContact CD2-CB 4.17Å; L141-V370 HydrophobicContact CD1-CG2 3.81Å; L141-V370 HydrophobicContact CD2-CG2 4.48Å
142R77.4Confident86.1Confident194 Ų19458.8 Ų58.873%0.73231%0.308SS*.G310 helixtrans-56.3-25.3177.3-172172.8178.3162.4-1113.9A140 I144A140-R142 PolarHBondContact O-N 3.47Å; R142-I144 VanDerWaalsContact C-N 3.25Å; R142-I144 PolarHBondContact O-N 2.85Å
143S71.6Confident85.9Confident96 Ų9659.7 Ų59.767%0.67131%0.305SS*.G310 helixtrans-70.3-12.9-175.260.80000115.1L141L141-S143 PolarHBondContact O-N 3.45Å
144I76.1Confident85.8Confident20 Ų2058.8 Ų58.810%0.10329%0.294CS..G310 helixtrans-104.123.7-175.359.8167.3000113F138 L141 R142 C146 N149 V366 A369F138-I144 HydrophobicContact CD1-CD1 3.7Å; F138-I144 HydrophobicContact CE1-CD1 3.78Å; L141-I144 HydrophobicContact CB-CD1 3.97Å; L141-I144 HydrophobicContact CB-CG1 3.94Å; L141-I144 HydrophobicContact CD1-CD1 4.23Å; L141-I144 WeakPolarHBondContact O-CG1 3.44Å; L141-I144 PolarHBondContact O-N 2.88Å; R142-I144 VanDerWaalsContact C-N 3.25Å; R142-I144 PolarHBondContact O-N 2.85Å; I144-C146 PolarHBondContact O-N 2.8Å; I144-N149 WeakPolarHBondContact O-CB 3.32Å; I144-N149 PolarHBondContact O-ND2 3.46Å; I144-V366 HydrophobicContact CD1-CG2 4.13Å; I144-A369 HydrophobicContact CG2-CB 4.21Å
145R77.2Confident85.8Confident151 Ų15158.8 Ų58.857%0.5729%0.294SS*.  trans-76.867.2-176.6-163.6-179.8-68.5168.3-4.1113.1V150R145-V150 HydrophobicContact CG-CG2 4.23Å
146C82Confident85.9Confident75 Ų7556.3 Ų56.351%0.50728%0.283SS..  trans-91.1163.9170.5-61.40000111I144 R148 N149 V150I144-C146 PolarHBondContact O-N 2.8Å; C146-R148 VanDerWaalsContact C-N 3.32Å; C146-R148 PolarHBondContact O-N 3.45Å; C146-N149 PolarHBondContact O-N 2.89Å; C146-V150 PolarHBondContact O-N 2.91Å
147L85Confident86Confident31 Ų3153 Ų5316%0.16227%0.267CS..Hα-helixtrans-54-46.9178.2176.956.8000112.3N149 V150 I151 Y208 K224L147-N149 VanDerWaalsContact C-N 3.29Å; L147-N149 PolarHBondContact O-N 3.35Å; L147-V150 WeakPolarHBondContact O-CB 3.45Å; L147-V150 PolarHBondContact O-N 3.36Å; L147-V150 VanDerWaalsContact O-N 3.11Å; L147-I151 HydrophobicContact CD1-CD1 4.35Å; L147-I151 HydrophobicContact CD1-CG1 4.5Å; L147-I151 HydrophobicContact CG-CD1 4.28Å; L147-I151 PolarHBondContact O-N 2.95Å; L147-Y208 HydrophobicContact CD2-CD2 4.47Å; L147-Y208 HydrophobicContact CD2-CE2 3.83Å; L147-Y208 HydrophobicContact CG-CE2 4.09Å; L147-K224 HydrophobicContact CD1-CB 4.3Å; L147-K224 HydrophobicContact CD1-CD 4.19Å; L147-K224 HydrophobicContact CD1-CG 3.81Å
148R86.7Confident86.3Confident103 Ų10350.8 Ų50.839%0.38926%0.255SS..Hα-helixtrans-51.1-47.8174.3180-175.5-62.1159.5-0.4112.2C146 V150 I151 H152 Y208 E365C146-R148 VanDerWaalsContact C-N 3.32Å; C146-R148 PolarHBondContact O-N 3.45Å; R148-V150 VanDerWaalsContact C-N 3.32Å; R148-V150 PolarHBondContact O-N 3.41Å; R148-I151 WeakPolarHBondContact O-CB 3.29Å; R148-I151 PolarHBondContact O-N 2.93Å; R148-I151 VanDerWaalsContact O-N 3.17Å; R148-H152 WeakPolarHBondContact CG-NE2 3.16Å; R148-H152 PolarHBondContact O-CD2 3.36Å; R148-H152 PolarHBondContact O-N 3.36Å; R148-Y208 HydrophobicContact CB-CE1 3.87Å; R148-Y208 HydrophobicContact CG-CE1 4.07Å; R148-E365 IonicContact NH1-OE1 3.92Å
149N86.6Confident86.7Confident9 Ų950 Ų505%0.04825%0.252CS..Hα-helixtrans-73.9-25.9-177-65.9-7000112.2I144 C146 L147 W153I144-N149 WeakPolarHBondContact O-CB 3.32Å; I144-N149 PolarHBondContact O-ND2 3.46Å; C146-N149 PolarHBondContact O-N 2.89Å; L147-N149 VanDerWaalsContact C-N 3.29Å; L147-N149 PolarHBondContact O-N 3.35Å; N149-W153 WeakPolarHBondContact O-CB 3.3Å; N149-W153 PolarHBondContact O-N 3.18Å
150V88.1Confident87Confident33 Ų3347.1 Ų47.120%0.224%0.237CC..Hα-helixtrans-66.8-41.3168.6174.50000110.8R145 C146 L147 R148 W153 N154R145-V150 HydrophobicContact CG-CG2 4.23Å; C146-V150 PolarHBondContact O-N 2.91Å; L147-V150 WeakPolarHBondContact O-CB 3.45Å; L147-V150 PolarHBondContact O-N 3.36Å; L147-V150 VanDerWaalsContact O-N 3.11Å; R148-V150 VanDerWaalsContact C-N 3.32Å; R148-V150 PolarHBondContact O-N 3.41Å; V150-W153 PolarHBondContact O-N 2.92Å; V150-N154 PolarHBondContact O-N 2.89Å; V150-N154 PolarHBondContact O-ND2 3.3Å
151I90.4Very high87.5Confident4 Ų446 Ų462%0.02122%0.22CC..Hα-helixtrans-64.4-50.4176.2-65.4169.1000110.3L147 R148 W153 N154 L155 W201 V204 E205 Y208L147-I151 HydrophobicContact CD1-CD1 4.35Å; L147-I151 HydrophobicContact CD1-CG1 4.5Å; L147-I151 HydrophobicContact CG-CD1 4.28Å; L147-I151 PolarHBondContact O-N 2.95Å; R148-I151 WeakPolarHBondContact O-CB 3.29Å; R148-I151 PolarHBondContact O-N 2.93Å; R148-I151 VanDerWaalsContact O-N 3.17Å; I151-W153 VanDerWaalsContact C-N 3.26Å; I151-W153 PolarHBondContact O-N 3.46Å; I151-N154 PolarHBondContact O-N 2.88Å; I151-L155 PolarHBondContact O-N 3.38Å; I151-W201 HydrophobicContact CG2-CZ3 4.35Å; I151-V204 HydrophobicContact CG2-CG1 4.17Å; I151-E205 HydrophobicContact CG2-CB 4.1Å; I151-Y208 HydrophobicContact CD1-CD1 3.86Å; I151-Y208 HydrophobicContact CD1-CD2 3.63Å; I151-Y208 HydrophobicContact CD1-CE1 4.37Å; I151-Y208 HydrophobicContact CD1-CE2 4.18Å; I151-Y208 HydrophobicContact CD1-CG 3.46Å; I151-Y208 VanDerWaalsContact CD1-CG 3.46Å
152H89.9Confident87.9Confident14 Ų1445.7 Ų45.77%0.06522%0.218CC..Hα-helixtrans-57.3-39.5175.9-65.9-38.4000112.3R148 L155 I156 E205 Y359R148-H152 WeakPolarHBondContact CG-NE2 3.16Å; R148-H152 PolarHBondContact O-CD2 3.36Å; R148-H152 PolarHBondContact O-N 3.36Å; H152-L155 PolarHBondContact O-N 3.09Å; H152-I156 WeakPolarHBondContact O-CB 3.36Å; H152-I156 VanDerWaalsContact O-CG1 3.26Å; H152-I156 WeakPolarHBondContact O-CG1 3.17Å; H152-I156 PolarHBondContact O-N 3.06Å; H152-E205 IonicContact CE1-OE1 3.96Å; H152-E205 PolarHBondContact CE1-OE1 3.24Å; H152-E205 IonicContact CG-OE1 2.95Å; H152-E205 IonicContact ND1-OE1 3.1Å; H152-E205 PolarHBondContact ND1-OE1 3.44Å; H152-Y359 AromaticContact CE1-CD1 3.92Å; H152-Y359 AromaticContact CE1-CD2 3.95Å; H152-Y359 AromaticContact CE1-CE1 3.77Å; H152-Y359 AromaticContact CE1-CE2 3.81Å; H152-Y359 AromaticContact CE1-CG 3.99Å; H152-Y359 AromaticContact CE1-CZ 3.68Å; H152-Y359 AromaticContact ND1-CD2 3.58Å; H152-Y359 AromaticContact ND1-CE2 3.57Å; H152-Y359 AromaticContact ND1-CG 3.96Å; H152-Y359 AromaticContact ND1-CZ 3.93Å
153W89.4Confident88.7Confident81 Ų8136.4 Ų36.431%0.30718%0.183SC..Hα-helixtrans-63.3-49.4177.2-177.28.3000111.3F135 L139 N149 V150 I151 L155 I156 T157F135-W153 AromaticContact CD2-CD1 3.86Å; F135-W153 AromaticContact CD2-NE1 3.61Å; F135-W153 AromaticContact CE2-CD1 3.61Å; F135-W153 AromaticContact CE2-NE1 2.99Å; F135-W153 HydrophobicContact CZ-CZ2 4.48Å; F135-W153 AromaticContact CZ-NE1 3.48Å; L139-W153 HydrophobicContact CD2-CH2 4.08Å; L139-W153 HydrophobicContact CD2-CZ2 3.72Å; N149-W153 WeakPolarHBondContact O-CB 3.3Å; N149-W153 PolarHBondContact O-N 3.18Å; V150-W153 PolarHBondContact O-N 2.92Å; I151-W153 VanDerWaalsContact C-N 3.26Å; I151-W153 PolarHBondContact O-N 3.46Å; W153-L155 VanDerWaalsContact C-N 3.3Å; W153-L155 PolarHBondContact O-N 3.41Å; W153-I156 PolarHBondContact O-N 2.92Å; W153-T157 PolarHBondContact O-N 3.22Å; W153-T157 PolarHBondContact O-OG1 2.96Å
154N93.2Very high89.7Confident26 Ų2635.1 Ų35.114%0.13917%0.17CC..Hα-helixtrans-59.7-42.9176.8-79.2-87.1000111.5V150 I151 I156 T157 T158 W201 W232V150-N154 PolarHBondContact O-N 2.89Å; V150-N154 PolarHBondContact O-ND2 3.3Å; I151-N154 PolarHBondContact O-N 2.88Å; N154-I156 PolarHBondContact O-N 2.9Å; N154-T157 WeakPolarHBondContact O-CB 3.31Å; N154-T157 PolarHBondContact O-N 3.42Å; N154-T158 WeakPolarHBondContact O-CG2 3.46Å; N154-T158 PolarHBondContact O-N 2.84Å; N154-W201 HydrophobicContact CB-CD2 3.74Å; N154-W201 HydrophobicContact CB-CE3 3.58Å; N154-W201 HydrophobicContact CB-CH2 3.3Å; N154-W201 HydrophobicContact CB-CZ2 3.45Å; N154-W201 VanDerWaalsContact CB-CZ2 3.45Å; N154-W201 HydrophobicContact CB-CZ3 3.36Å; N154-W201 VanDerWaalsContact CG-CH2 3.42Å; N154-W232 PolarHBondContact OD1-NE1 2.9Å
155L92.6Very high90.5Very high0 Ų035.1 Ų35.10%017%0.17CC..Hα-helixtrans-59.4-48.9176.2-179.166.8000112.1I151 H152 W153 T157 T158 F159 W201 M202 E205 V355 Y359I151-L155 PolarHBondContact O-N 3.38Å; H152-L155 PolarHBondContact O-N 3.09Å; W153-L155 VanDerWaalsContact C-N 3.3Å; W153-L155 PolarHBondContact O-N 3.41Å; L155-T157 VanDerWaalsContact C-N 3.28Å; L155-T157 PolarHBondContact O-N 2.87Å; L155-T158 PolarHBondContact O-N 3.4Å; L155-T158 VanDerWaalsContact O-N 3.11Å; L155-T158 PolarHBondContact O-OG1 2.92Å; L155-F159 HydrophobicContact CD1-CD2 4.2Å; L155-F159 HydrophobicContact CD1-CE2 3.72Å; L155-F159 HydrophobicContact CD2-CE2 4.24Å; L155-F159 HydrophobicContact CG-CD2 4.04Å; L155-F159 HydrophobicContact CG-CE2 3.76Å; L155-F159 WeakPolarHBondContact O-CD2 3.49Å; L155-F159 PolarHBondContact O-N 3.44Å; L155-F159 VanDerWaalsContact O-N 3.1Å; L155-W201 HydrophobicContact CD1-CB 3.78Å; L155-M202 HydrophobicContact CD1-CG 3.78Å; L155-E205 VanDerWaalsContact CD2-CD 3.47Å; L155-E205 WeakPolarHBondContact CD2-OE2 3.39Å; L155-V355 HydrophobicContact CD2-CG1 4.29Å; L155-Y359 HydrophobicContact CD2-CE2 4.02Å
156I93Very high91.1Very high0 Ų029.2 Ų29.20%015%0.148CC..Hα-helixtrans-57.8-42.9175.9-71.7167.3000110.6L131 F135 F138 H152 W153 N154 T158 F159 I160L131-I156 HydrophobicContact CD2-CB 4.45Å; L131-I156 HydrophobicContact CD2-CG1 4.34Å; L131-I156 HydrophobicContact CD2-CG2 3.94Å; F135-I156 HydrophobicContact CB-CG2 4.36Å; F135-I156 HydrophobicContact CD2-CG2 4.32Å; F138-I156 HydrophobicContact CD2-CD1 3.98Å; F138-I156 HydrophobicContact CE2-CD1 3.51Å; H152-I156 WeakPolarHBondContact O-CB 3.36Å; H152-I156 VanDerWaalsContact O-CG1 3.26Å; H152-I156 WeakPolarHBondContact O-CG1 3.17Å; H152-I156 PolarHBondContact O-N 3.06Å; W153-I156 PolarHBondContact O-N 2.92Å; N154-I156 PolarHBondContact O-N 2.9Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 3.29Å; I156-F159 PolarHBondContact O-N 3.5Å; I156-I160 HydrophobicContact CG2-CD1 3.98Å; I156-I160 WeakPolarHBondContact O-CG1 3.2Å; I156-I160 PolarHBondContact O-N 3.1Å
157T93.3Very high91.6Very high32 Ų3227.8 Ų27.820%0.19613%0.133CC..Hα-helixtrans-58.3-43.9175.8-55.60000111.4F135 W153 N154 L155 F159 I160 L161F135-T157 WeakPolarHBondContact CE2-OG1 3.47Å; W153-T157 PolarHBondContact O-N 3.22Å; W153-T157 PolarHBondContact O-OG1 2.96Å; N154-T157 WeakPolarHBondContact O-CB 3.31Å; N154-T157 PolarHBondContact O-N 3.42Å; L155-T157 VanDerWaalsContact C-N 3.28Å; L155-T157 PolarHBondContact O-N 2.87Å; T157-F159 VanDerWaalsContact C-N 3.35Å; T157-F159 PolarHBondContact O-N 2.9Å; T157-I160 PolarHBondContact O-N 2.67Å; T157-L161 HydrophobicContact CG2-CD1 3.92Å; T157-L161 HydrophobicContact CG2-CG 4.35Å; T157-L161 WeakPolarHBondContact O-CG 3.37Å; T157-L161 PolarHBondContact O-N 3.2Å
158T94.9Very high91.8Very high0 Ų029.8 Ų29.80%014%0.144CC..Hα-helixtrans-63.8-38177.165.50000112.9N154 L155 I156 L161 R162 T197 N198 W201 W232N154-T158 WeakPolarHBondContact O-CG2 3.46Å; N154-T158 PolarHBondContact O-N 2.84Å; L155-T158 PolarHBondContact O-N 3.4Å; L155-T158 VanDerWaalsContact O-N 3.11Å; L155-T158 PolarHBondContact O-OG1 2.92Å; I156-T158 VanDerWaalsContact C-N 3.33Å; I156-T158 PolarHBondContact O-N 3.29Å; T158-L161 PolarHBondContact O-N 3.49Å; T158-R162 WeakPolarHBondContact O-CB 3.38Å; T158-R162 PolarHBondContact O-N 3.32Å; T158-T197 HydrophobicContact CG2-CG2 3.79Å; T158-N198 PolarHBondContact OG1-ND2 2.92Å; T158-W201 HydrophobicContact CG2-CB 4.17Å; T158-W201 HydrophobicContact CG2-CG 3.78Å; T158-W232 HydrophobicContact CG2-CH2 3.93Å; T158-W232 HydrophobicContact CG2-CZ2 4.17Å; T158-W232 HydrophobicContact CG2-CZ3 4.48Å
159F94.3Very high91.8Very high1 Ų125 Ų250%0.00413%0.126CC..Hα-helixtrans-64.8-40.2174.9-81.2-68.9000112L131 L155 I156 T157 N163 N198 M202 Q351 V355L131-F159 HydrophobicContact CD1-CB 3.63Å; L131-F159 HydrophobicContact CD2-CB 4.05Å; L155-F159 HydrophobicContact CD1-CD2 4.2Å; L155-F159 HydrophobicContact CD1-CE2 3.72Å; L155-F159 HydrophobicContact CD2-CE2 4.24Å; L155-F159 HydrophobicContact CG-CD2 4.04Å; L155-F159 HydrophobicContact CG-CE2 3.76Å; L155-F159 WeakPolarHBondContact O-CD2 3.49Å; L155-F159 PolarHBondContact O-N 3.44Å; L155-F159 VanDerWaalsContact O-N 3.1Å; I156-F159 PolarHBondContact O-N 3.5Å; T157-F159 VanDerWaalsContact C-N 3.35Å; T157-F159 PolarHBondContact O-N 2.9Å; F159-N163 WeakPolarHBondContact O-CB 3.47Å; F159-N163 PolarHBondContact O-N 3.35Å; F159-N163 PolarHBondContact O-ND2 3.16Å; F159-N198 WeakPolarHBondContact CD1-ND2 3.35Å; F159-N198 WeakPolarHBondContact CE1-ND2 3.47Å; F159-M202 HydrophobicContact CZ-SD 4.16Å; F159-Q351 HydrophobicContact CE1-CB 4.25Å; F159-Q351 HydrophobicContact CE1-CG 3.97Å; F159-Q351 HydrophobicContact CZ-CG 4.07Å; F159-V355 HydrophobicContact CD2-CG1 4.39Å; F159-V355 HydrophobicContact CD2-CG2 4.45Å; F159-V355 HydrophobicContact CE2-CB 4.29Å; F159-V355 HydrophobicContact CE2-CG1 4.13Å; F159-V355 HydrophobicContact CE2-CG2 3.67Å; F159-V355 HydrophobicContact CZ-CG2 3.87Å
160I95.3Very high91.7Very high29 Ų2928.2 Ų28.215%0.14914%0.141CC..Hα-helixtrans-61.6-51.9175.1-65.9168.3000109.8L131 F135 I156 T157 R162 N163 V164L131-I160 HydrophobicContact CB-CD1 4.19Å; L131-I160 HydrophobicContact CB-CG1 3.69Å; L131-I160 HydrophobicContact CD1-CG1 4.27Å; F135-I160 HydrophobicContact CB-CD1 3.97Å; F135-I160 HydrophobicContact CD2-CD1 3.88Å; F135-I160 HydrophobicContact CG-CD1 4.11Å; I156-I160 HydrophobicContact CG2-CD1 3.98Å; I156-I160 WeakPolarHBondContact O-CG1 3.2Å; I156-I160 PolarHBondContact O-N 3.1Å; T157-I160 PolarHBondContact O-N 2.67Å; I160-R162 PolarHBondContact O-N 3.01Å; I160-N163 PolarHBondContact O-N 3.39Å; I160-V164 HydrophobicContact CG2-CG2 4.18Å; I160-V164 WeakPolarHBondContact O-CB 3.44Å; I160-V164 VanDerWaalsContact O-CG2 3.27Å; I160-V164 WeakPolarHBondContact O-CG2 3.34Å; I160-V164 PolarHBondContact O-N 3.43Å
161L95.3Very high91.6Very high55 Ų5533.3 Ų33.329%0.28817%0.166SC..Hα-helixtrans-60.6-43.3-179.3-68.3169.8000112T157 T158 M165 F194 W232T157-L161 HydrophobicContact CG2-CD1 3.92Å; T157-L161 HydrophobicContact CG2-CG 4.35Å; T157-L161 WeakPolarHBondContact O-CG 3.37Å; T157-L161 PolarHBondContact O-N 3.2Å; T158-L161 PolarHBondContact O-N 3.49Å; L161-M165 VanDerWaalsContact O-CB 3.25Å; L161-M165 WeakPolarHBondContact O-CB 3.25Å; L161-M165 PolarHBondContact O-N 3.1Å; L161-F194 HydrophobicContact CB-CD1 3.9Å; L161-F194 HydrophobicContact CB-CD2 4Å; L161-F194 HydrophobicContact CB-CE1 4.04Å; L161-F194 HydrophobicContact CB-CE2 4.09Å; L161-F194 HydrophobicContact CB-CG 3.9Å; L161-F194 HydrophobicContact CB-CZ 4.12Å; L161-F194 HydrophobicContact CD1-CD1 4.1Å; L161-F194 HydrophobicContact CD1-CE1 3.7Å; L161-F194 HydrophobicContact CD1-CZ 4.15Å; L161-F194 HydrophobicContact CD2-CE2 4.44Å; L161-F194 HydrophobicContact CD2-CZ 4.12Å; L161-F194 HydrophobicContact CG-CE1 4.3Å; L161-F194 HydrophobicContact CG-CZ 4.36Å; L161-W232 HydrophobicContact CD1-CH2 3.85Å; L161-W232 HydrophobicContact CD1-CZ3 4.31Å
162R94.2Very high91.1Very high5 Ų534.2 Ų34.22%0.01917%0.172CC..Hα-helixtrans-59.4-48.5175.6-172.9-170.882.7175.514.3111.6T158 I160 W166 F194 V195 N198 Y323 Q348 Q351T158-R162 WeakPolarHBondContact O-CB 3.38Å; T158-R162 PolarHBondContact O-N 3.32Å; I160-R162 PolarHBondContact O-N 3.01Å; R162-W166 WeakPolarHBondContact O-CB 3.41Å; R162-W166 PolarHBondContact O-N 2.86Å; R162-F194 HydrophobicContact CB-CB 4.46Å; R162-V195 HydrophobicContact CG-CG2 4.14Å; R162-N198 PolarHBondContact NH1-OD1 3.14Å; R162-Y323 PolarHBondContact NH1-OH 2.97Å; R162-Q348 PolarHBondContact NH2-O 3.16Å; R162-Q348 VanDerWaalsContact NH2-O 3.14Å; R162-Q351 VanDerWaalsContact NH1-OE1 3.11Å
163N93.1Very high90.2Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-70.4-40.2-178.2-69.7-25000112.3H124 S127 V128 F159 I160 M165 W166 F167H124-N163 PolarHBondContact CE1-OD1 2.98Å; H124-N163 VanDerWaalsContact CE1-OD1 3.29Å; H124-N163 PolarHBondContact ND1-OD1 3.45Å; S127-N163 PolarHBondContact OG-ND2 3.33Å; V128-N163 HydrophobicContact CG2-CB 3.3Å; F159-N163 WeakPolarHBondContact O-CB 3.47Å; F159-N163 PolarHBondContact O-N 3.35Å; F159-N163 PolarHBondContact O-ND2 3.16Å; I160-N163 PolarHBondContact O-N 3.39Å; N163-M165 VanDerWaalsContact C-N 3.33Å; N163-W166 WeakPolarHBondContact O-CB 3.31Å; N163-W166 PolarHBondContact O-N 3.16Å; N163-F167 WeakPolarHBondContact O-CD2 3.26Å; N163-F167 PolarHBondContact O-N 3.32Å; N163-F167 VanDerWaalsContact O-N 3.08Å
164V92.9Very high89.1Confident68 Ų6841.2 Ų41.241%0.41221%0.211SC..Hα-helixtrans-61.8-44.8175.3169.60000110.2I160 W166 F167 L168I160-V164 HydrophobicContact CG2-CG2 4.18Å; I160-V164 WeakPolarHBondContact O-CB 3.44Å; I160-V164 VanDerWaalsContact O-CG2 3.27Å; I160-V164 WeakPolarHBondContact O-CG2 3.34Å; I160-V164 PolarHBondContact O-N 3.43Å; V164-W166 VanDerWaalsContact C-N 3.32Å; V164-W166 PolarHBondContact O-N 3.11Å; V164-F167 WeakPolarHBondContact O-CB 3.41Å; V164-F167 PolarHBondContact O-N 2.81Å; V164-L168 PolarHBondContact O-N 3.44Å; V164-L168 VanDerWaalsContact O-N 3.09Å
165M92.4Very high87.6Confident20 Ų2047.5 Ų47.510%0.09924%0.24CC..Hα-helixtrans-68.4-32177.8-169.460.964.400112.5L161 N163 L168 L169 I187 I190 F191 F194L161-M165 VanDerWaalsContact O-CB 3.25Å; L161-M165 WeakPolarHBondContact O-CB 3.25Å; L161-M165 PolarHBondContact O-N 3.1Å; N163-M165 VanDerWaalsContact C-N 3.33Å; M165-L168 HydrophobicContact CE-CD1 4.03Å; M165-L168 PolarHBondContact O-N 2.99Å; M165-L168 HydrophobicContact SD-CB 4.15Å; M165-L168 HydrophobicContact SD-CD1 3.82Å; M165-L169 PolarHBondContact O-N 3.36Å; M165-I187 HydrophobicContact SD-CG2 3.79Å; M165-I190 HydrophobicContact CE-CB 4.01Å; M165-I190 HydrophobicContact CE-CG2 3.39Å; M165-I190 HydrophobicContact SD-CG2 4.48Å; M165-F191 HydrophobicContact CB-CD2 4.06Å; M165-F191 VanDerWaalsContact CG-CA 3.48Å; M165-F191 HydrophobicContact CG-CB 3.53Å; M165-F191 HydrophobicContact CG-CD2 3.84Å; M165-F191 HydrophobicContact CG-CG 4.18Å; M165-F194 HydrophobicContact CB-CD2 4Å; M165-F194 HydrophobicContact CE-CD2 4.27Å; M165-F194 HydrophobicContact CE-CE2 3.85Å; M165-F194 HydrophobicContact CG-CD2 4.31Å
166W91.4Very high86.2Confident27 Ų2748.9 Ų48.910%0.10225%0.248CC..Hα-helixtrans-59.8-44.4170.4-176.284000111.6N120 Y121 H124 R162 N163 V164 L168 L169 Q170 F191N120-W166 WeakPolarHBondContact OD1-CZ2 3.27Å; Y121-W166 AromaticContact CD2-CH2 3.99Å; Y121-W166 HydrophobicContact CD2-CH2 3.99Å; Y121-W166 AromaticContact CD2-CZ3 3.92Å; Y121-W166 HydrophobicContact CD2-CZ3 3.92Å; Y121-W166 HydrophobicContact CG-CH2 4.45Å; H124-W166 HydrophobicContact CB-CE3 4.01Å; H124-W166 HydrophobicContact CB-CZ3 4.04Å; H124-W166 AromaticContact CD2-CD2 3.65Å; H124-W166 AromaticContact CD2-CE2 3.79Å; H124-W166 AromaticContact CD2-CE3 3.69Å; H124-W166 AromaticContact CD2-CZ2 4Å; H124-W166 AromaticContact CD2-CZ3 3.86Å; H124-W166 AromaticContact CG-CE3 3.9Å; R162-W166 WeakPolarHBondContact O-CB 3.41Å; R162-W166 PolarHBondContact O-N 2.86Å; N163-W166 WeakPolarHBondContact O-CB 3.31Å; N163-W166 PolarHBondContact O-N 3.16Å; V164-W166 VanDerWaalsContact C-N 3.32Å; V164-W166 PolarHBondContact O-N 3.11Å; W166-L168 VanDerWaalsContact C-N 3.33Å; W166-L168 PolarHBondContact O-N 2.89Å; W166-L169 PolarHBondContact O-N 3.2Å; W166-Q170 HydrophobicContact CD2-CG 4.02Å; W166-Q170 HydrophobicContact CE3-CG 4.02Å; W166-Q170 HydrophobicContact CH2-CG 3.65Å; W166-Q170 HydrophobicContact CZ2-CG 3.62Å; W166-Q170 HydrophobicContact CZ3-CG 3.85Å; W166-Q170 WeakPolarHBondContact O-CG 3.31Å; W166-Q170 PolarHBondContact O-N 2.89Å; W166-F191 HydrophobicContact CB-CE2 3.94Å
167F91.7Very high84.8Confident45 Ų4550.4 Ų50.420%0.19726%0.255CS..Hα-helixtrans-61.5-40.1173.9-74.5-65.3000112.5Y121 H124 C125 V128 N163 V164 L169 Q170 L171Y121-F167 HydrophobicContact CD2-CD1 4.47Å; Y121-F167 AromaticContact CD2-CE1 3.96Å; Y121-F167 HydrophobicContact CD2-CE1 3.96Å; Y121-F167 HydrophobicContact CE2-CD1 4Å; Y121-F167 AromaticContact CE2-CE1 3.64Å; Y121-F167 HydrophobicContact CE2-CE1 3.64Å; H124-F167 HydrophobicContact CB-CE2 4.24Å; H124-F167 HydrophobicContact CB-CZ 3.9Å; C125-F167 HydrophobicContact CB-CZ 4.5Å; C125-F167 VanDerWaalsContact SG-CZ 3.6Å; V128-F167 HydrophobicContact CG2-CE2 4.04Å; N163-F167 WeakPolarHBondContact O-CD2 3.26Å; N163-F167 PolarHBondContact O-N 3.32Å; N163-F167 VanDerWaalsContact O-N 3.08Å; V164-F167 WeakPolarHBondContact O-CB 3.41Å; V164-F167 PolarHBondContact O-N 2.81Å; F167-L169 VanDerWaalsContact C-N 3.29Å; F167-L169 PolarHBondContact O-N 3.29Å; F167-Q170 PolarHBondContact O-N 3.5Å; F167-L171 WeakPolarHBondContact O-CG 3.49Å; F167-L171 PolarHBondContact O-N 3.21Å
168L89.6Confident83.4Confident74 Ų7455 Ų5539%0.38727%0.274SS..Hα-helixtrans-62.1-37.9176.1-67.1176.9000112.1V164 M165 W166 L171V164-L168 PolarHBondContact O-N 3.44Å; V164-L168 VanDerWaalsContact O-N 3.09Å; M165-L168 HydrophobicContact CE-CD1 4.03Å; M165-L168 PolarHBondContact O-N 2.99Å; M165-L168 HydrophobicContact SD-CB 4.15Å; M165-L168 HydrophobicContact SD-CD1 3.82Å; W166-L168 VanDerWaalsContact C-N 3.33Å; W166-L168 PolarHBondContact O-N 2.89Å; L168-L171 HydrophobicContact CD2-CD1 4.39Å; L168-L171 PolarHBondContact O-N 3.29Å
169L86.1Confident82.1Confident3 Ų357.5 Ų57.52%0.01629%0.292CS..Hα-helixtrans-67.4-36.4174-78.4174000113M165 W166 F167 L171 V172 I187 F191 F256M165-L169 PolarHBondContact O-N 3.36Å; W166-L169 PolarHBondContact O-N 3.2Å; F167-L169 VanDerWaalsContact C-N 3.29Å; F167-L169 PolarHBondContact O-N 3.29Å; L169-L171 PolarHBondContact O-N 3.19Å; L169-V172 WeakPolarHBondContact O-CB 3.39Å; L169-V172 PolarHBondContact O-N 3.1Å; L169-V172 VanDerWaalsContact O-N 3.15Å; L169-I187 HydrophobicContact CD2-CG2 3.64Å; L169-I187 HydrophobicContact CG-CG2 4.02Å; L169-F191 HydrophobicContact CD1-CB 3.47Å; L169-F191 VanDerWaalsContact CD1-CB 3.47Å; L169-F191 HydrophobicContact CD1-CD1 3.33Å; L169-F191 HydrophobicContact CD1-CD2 3.54Å; L169-F191 HydrophobicContact CD1-CE1 3.86Å; L169-F191 HydrophobicContact CD1-CE2 4.06Å; L169-F191 HydrophobicContact CD1-CG 3.14Å; L169-F191 HydrophobicContact CD1-CZ 4.19Å; L169-F191 HydrophobicContact CG-CB 4.3Å; L169-F191 HydrophobicContact CG-CG 4.34Å; L169-F256 HydrophobicContact CB-CE2 4.06Å; L169-F256 HydrophobicContact CD1-CD2 4.36Å; L169-F256 HydrophobicContact CD1-CE2 4.02Å; L169-F256 HydrophobicContact CD2-CD2 3.84Å; L169-F256 HydrophobicContact CD2-CE2 4.04Å; L169-F256 HydrophobicContact CG-CE2 4.29Å
170Q85.2Confident81Confident76 Ų7659.3 Ų59.336%0.35530%0.301SS..Hα-helixtrans-69.4-14.8176.1-64-57.9-52.500113.4W166 F167W166-Q170 HydrophobicContact CD2-CG 4.02Å; W166-Q170 HydrophobicContact CE3-CG 4.02Å; W166-Q170 HydrophobicContact CH2-CG 3.65Å; W166-Q170 HydrophobicContact CZ2-CG 3.62Å; W166-Q170 HydrophobicContact CZ3-CG 3.85Å; W166-Q170 WeakPolarHBondContact O-CG 3.31Å; W166-Q170 PolarHBondContact O-N 2.89Å; F167-Q170 PolarHBondContact O-N 3.5Å
171L84.5Confident80.4Confident140 Ų14061.8 Ų61.873%0.73331%0.312SS*.THydrogen-bonded Turntrans-85-10.8173.7-67170.7000112.8F167 L168 L169 D173F167-L171 WeakPolarHBondContact O-CG 3.49Å; F167-L171 PolarHBondContact O-N 3.21Å; L168-L171 HydrophobicContact CD2-CD1 4.39Å; L168-L171 PolarHBondContact O-N 3.29Å; L169-L171 PolarHBondContact O-N 3.19Å; L171-D173 PolarHBondContact O-N 2.67Å
172V80Confident79.9Confident23 Ų2364.1 Ų64.114%0.13933%0.329CS..SBendtrans-76.7111.5176.3-178.90000108L169 V176 W183L169-V172 WeakPolarHBondContact O-CB 3.39Å; L169-V172 PolarHBondContact O-N 3.1Å; L169-V172 VanDerWaalsContact O-N 3.15Å; V172-V176 HydrophobicContact CG1-CB 3.92Å; V172-V176 HydrophobicContact CG1-CG1 3.74Å; V172-W183 HydrophobicContact CG1-CH2 4.49Å; V172-W183 HydrophobicContact CG2-CH2 4.17Å; V172-W183 HydrophobicContact CG2-CZ3 3.92Å
173D71Confident79.4Confident108 Ų10869 Ų6958%0.57835%0.347SS*.  trans-73.4161.4-179.7-149-19.9000111.8L171 E175 V176 H177L171-D173 PolarHBondContact O-N 2.67Å; D173-E175 PolarHBondContact O-N 2.94Å; D173-V176 WeakPolarHBondContact O-CB 3.07Å; D173-V176 PolarHBondContact O-N 3.19Å; D173-V176 VanDerWaalsContact O-N 3.08Å; D173-H177 PolarHBondContact O-N 3.11Å
174H66.9Low79.1Confident134 Ų13469 Ų6962%0.6235%0.347SS*.Hα-helixtrans-60.9-32.6179.7-162.7-71.1000112V176 H177H174-V176 VanDerWaalsContact C-N 3.29Å; H174-V176 PolarHBondContact O-N 3.34Å; H174-H177 VanDerWaalsContact O-CB 3.31Å; H174-H177 WeakPolarHBondContact O-CB 3.25Å; H174-H177 PolarHBondContact O-N 3.37Å
175E62Low78.8Confident158 Ų15867.3 Ų67.374%0.73833%0.334SS*.Hα-helixtrans-64.5-34.2176.5-62.7-171.4165.900112.4D173 H177 S179D173-E175 PolarHBondContact O-N 2.94Å; E175-H177 VanDerWaalsContact C-N 3.31Å; E175-S179 PolarHBondContact O-N 3.39Å
176V62.7Low78.7Confident28 Ų2869.4 Ų69.417%0.1735%0.35CS..Hα-helixtrans-73.8-27.6177.9176.70000111.6V172 D173 H174 E178 S179 W183 C184V172-V176 HydrophobicContact CG1-CB 3.92Å; V172-V176 HydrophobicContact CG1-CG1 3.74Å; D173-V176 WeakPolarHBondContact O-CB 3.07Å; D173-V176 PolarHBondContact O-N 3.19Å; D173-V176 VanDerWaalsContact O-N 3.08Å; H174-V176 VanDerWaalsContact C-N 3.29Å; H174-V176 PolarHBondContact O-N 3.34Å; V176-E178 VanDerWaalsContact C-N 3.26Å; V176-E178 PolarHBondContact O-N 3.42Å; V176-S179 WeakPolarHBondContact CA-OG 3.49Å; V176-S179 PolarHBondContact O-N 2.86Å; V176-S179 PolarHBondContact O-OG 3.44Å; V176-S179 VanDerWaalsContact O-OG 3.09Å; V176-W183 HydrophobicContact CB-CZ2 4.29Å; V176-W183 HydrophobicContact CG1-CH2 3.51Å; V176-W183 HydrophobicContact CG1-CZ2 3.19Å; V176-W183 HydrophobicContact CG2-CH2 4.45Å; V176-W183 HydrophobicContact CG2-CZ2 4.12Å; V176-C184 HydrophobicContact CG1-CB 4.33Å
177H64.1Low78.6Confident33 Ų3369.9 Ų69.915%0.15335%0.354CS..Hα-helixtrans-62.5-39.1178-167.760.6000111.5D173 H174 E175 C254 F256D173-H177 PolarHBondContact O-N 3.11Å; H174-H177 VanDerWaalsContact O-CB 3.31Å; H174-H177 WeakPolarHBondContact O-CB 3.25Å; H174-H177 PolarHBondContact O-N 3.37Å; E175-H177 VanDerWaalsContact C-N 3.31Å; H177-C254 PolarHBondContact CE1-O 2.93Å; H177-C254 PolarHBondContact O-N 3.47Å; H177-F256 VanDerWaalsContact CE1-C 3.48Å; H177-F256 PolarHBondContact CE1-O 2.95Å; H177-F256 PolarHBondContact NE2-O 3.38Å
178E64.1Low78.5Confident127 Ų12768 Ų6859%0.59335%0.346SS*.Hα-helixtrans-79.2-28.4176.8-64.6-169.6170.500113.1V176 N180V176-E178 VanDerWaalsContact C-N 3.26Å; V176-E178 PolarHBondContact O-N 3.42Å; E178-N180 PolarHBondContact O-N 3.26Å
179S67.4Low78.6Confident54 Ų5465.9 Ų65.938%0.37834%0.336SS..THydrogen-bonded Turntrans-70.6-3.5-177.672.40000114.5E175 V176 E181E175-S179 PolarHBondContact O-N 3.39Å; V176-S179 WeakPolarHBondContact CA-OG 3.49Å; V176-S179 PolarHBondContact O-N 2.86Å; V176-S179 PolarHBondContact O-OG 3.44Å; V176-S179 VanDerWaalsContact O-OG 3.09Å; S179-E181 WeakPolarHBondContact CB-OE1 3.36Å; S179-E181 PolarHBondContact O-N 3Å; S179-E181 WeakPolarHBondContact OG-CG 3.42Å; S179-E181 PolarHBondContact OG-OE1 3.41Å
180N71.8Confident78.9Confident38 Ų3869.2 Ų69.220%0.20335%0.353CS..THydrogen-bonded Turntrans48.234.9172.5-163.411.1000114.2E178 R185 N251 E252 Q253E178-N180 PolarHBondContact O-N 3.26Å; N180-R185 PolarHBondContact ND2-NH2 3.23Å; N180-R185 VanDerWaalsContact OD1-CZ 3.26Å; N180-R185 PolarHBondContact OD1-NE 3.48Å; N180-R185 PolarHBondContact OD1-NH2 3.07Å; N180-N251 PolarHBondContact ND2-O 3.25Å; N180-E252 WeakPolarHBondContact CB-O 3.46Å; N180-E252 VanDerWaalsContact CG-O 3.23Å; N180-E252 VanDerWaalsContact ND2-C 3.28Å; N180-E252 PolarHBondContact ND2-O 3.29Å; N180-Q253 PolarHBondContact OD1-O 2.86Å
181E82Confident79.3Confident81 Ų8167.2 Ų67.238%0.37934%0.343SS..  trans-73.6141.4-173.8-71.2178.1-125.900111.8S179 W183 C184 R185S179-E181 WeakPolarHBondContact CB-OE1 3.36Å; S179-E181 PolarHBondContact O-N 3Å; S179-E181 WeakPolarHBondContact OG-CG 3.42Å; S179-E181 PolarHBondContact OG-OE1 3.41Å; E181-W183 VanDerWaalsContact CB-CD1 3.49Å; E181-W183 HydrophobicContact CB-CG 4.39Å; E181-W183 PolarHBondContact O-N 2.97Å; E181-W183 VanDerWaalsContact O-N 3.16Å; E181-W183 VanDerWaalsContact OE2-CD1 3.24Å; E181-W183 PolarHBondContact OE2-NE1 3.2Å; E181-C184 WeakPolarHBondContact O-CB 3.47Å; E181-C184 PolarHBondContact O-N 2.92Å; E181-R185 PolarHBondContact O-N 2.99Å
182V84.7Confident79.6Confident105 Ų10561.1 Ų61.164%0.63631%0.312SS*.Hα-helixtrans-56.9-35.9-177.3178.50000111.8C184 R185 C186V182-C184 VanDerWaalsContact C-N 3.34Å; V182-C184 PolarHBondContact O-N 3.05Å; V182-R185 WeakPolarHBondContact O-CB 3.15Å; V182-R185 PolarHBondContact O-N 2.91Å; V182-C186 PolarHBondContact O-N 2.95Å; V182-C186 PolarHBondContact O-SG 3.44Å; V182-C186 VanDerWaalsContact O-SG 3.39Å
183W84.3Confident80.4Confident106 Ų10662.2 Ų62.240%0.40231%0.314SS..Hα-helixtrans-66.8-34.3179.870.5-96.5000112.4V172 V176 E181 R185 C186 I187V172-W183 HydrophobicContact CG1-CH2 4.49Å; V172-W183 HydrophobicContact CG2-CH2 4.17Å; V172-W183 HydrophobicContact CG2-CZ3 3.92Å; V176-W183 HydrophobicContact CB-CZ2 4.29Å; V176-W183 HydrophobicContact CG1-CH2 3.51Å; V176-W183 HydrophobicContact CG1-CZ2 3.19Å; V176-W183 HydrophobicContact CG2-CH2 4.45Å; V176-W183 HydrophobicContact CG2-CZ2 4.12Å; E181-W183 VanDerWaalsContact CB-CD1 3.49Å; E181-W183 HydrophobicContact CB-CG 4.39Å; E181-W183 PolarHBondContact O-N 2.97Å; E181-W183 VanDerWaalsContact O-N 3.16Å; E181-W183 VanDerWaalsContact OE2-CD1 3.24Å; E181-W183 PolarHBondContact OE2-NE1 3.2Å; W183-R185 VanDerWaalsContact C-N 3.32Å; W183-R185 PolarHBondContact O-N 2.97Å; W183-C186 WeakPolarHBondContact O-CB 3.36Å; W183-C186 PolarHBondContact O-N 2.91Å; W183-I187 HydrophobicContact CE3-CD1 3.48Å; W183-I187 VanDerWaalsContact CE3-CD1 3.48Å; W183-I187 HydrophobicContact CE3-CG1 4.25Å; W183-I187 HydrophobicContact CZ3-CD1 3.6Å; W183-I187 WeakPolarHBondContact O-CG1 3.42Å; W183-I187 PolarHBondContact O-N 3.28Å
184C86.7Confident81.5Confident1 Ų158.5 Ų58.51%0.00729%0.292CS..Hα-helixtrans-64.3-40.7176.5-172.50000110.7V176 E181 V182 I187 T188 C254V176-C184 HydrophobicContact CG1-CB 4.33Å; E181-C184 WeakPolarHBondContact O-CB 3.47Å; E181-C184 PolarHBondContact O-N 2.92Å; V182-C184 VanDerWaalsContact C-N 3.34Å; V182-C184 PolarHBondContact O-N 3.05Å; C184-I187 PolarHBondContact O-N 2.83Å; C184-T188 WeakPolarHBondContact O-CB 3.27Å; C184-T188 PolarHBondContact O-N 3.04Å; C184-T188 PolarHBondContact O-OG1 3.46Å; C184-C254 HydrophobicContact CB-CB 3.85Å; C184-C254 WeakPolarHBondContact CB-SG 3.19Å; C184-C254 PolarHBondContact O-SG 2.9Å; C184-C254 WeakPolarHBondContact SG-CB 3.41Å; C184-C254 CovalentContact SG-SG 2.03Å; C184-C254 PolarHBondContact SG-SG 3.42Å
185R86.8Confident82.7Confident33 Ų3353.1 Ų53.113%0.12527%0.269CS..Hα-helixtrans-63.4-42.4174-54.4179-169.4-176.6-6.4111.8N180 E181 V182 W183 T188 T189 N251 W255N180-R185 PolarHBondContact ND2-NH2 3.23Å; N180-R185 VanDerWaalsContact OD1-CZ 3.26Å; N180-R185 PolarHBondContact OD1-NE 3.48Å; N180-R185 PolarHBondContact OD1-NH2 3.07Å; E181-R185 PolarHBondContact O-N 2.99Å; V182-R185 WeakPolarHBondContact O-CB 3.15Å; V182-R185 PolarHBondContact O-N 2.91Å; W183-R185 VanDerWaalsContact C-N 3.32Å; W183-R185 PolarHBondContact O-N 2.97Å; R185-T188 PolarHBondContact O-N 3.26Å; R185-T189 WeakPolarHBondContact O-CB 3.45Å; R185-T189 PolarHBondContact O-N 2.89Å; R185-T189 PolarHBondContact O-OG1 3.24Å; R185-N251 PolarHBondContact NH1-OD1 3.49Å; R185-N251 PolarHBondContact NH2-O 3.43Å; R185-N251 PolarHBondContact NH2-OD1 3.29Å; R185-W255 HydrophobicContact CB-CD2 4.46Å; R185-W255 HydrophobicContact CB-CE3 4.33Å; R185-W255 HydrophobicContact CB-CZ3 4.46Å
186C89.2Confident84.2Confident64 Ų6445.6 Ų45.643%0.43223%0.233SC..Hα-helixtrans-61.9-48.6175.8-72.60000112V182 W183 T188 T189 I190V182-C186 PolarHBondContact O-N 2.95Å; V182-C186 PolarHBondContact O-SG 3.44Å; V182-C186 VanDerWaalsContact O-SG 3.39Å; W183-C186 WeakPolarHBondContact O-CB 3.36Å; W183-C186 PolarHBondContact O-N 2.91Å; C186-T188 VanDerWaalsContact C-N 3.34Å; C186-T188 PolarHBondContact O-N 3.07Å; C186-T189 PolarHBondContact O-N 3.13Å; C186-I190 WeakPolarHBondContact O-CD1 3.4Å; C186-I190 WeakPolarHBondContact O-CG1 3.35Å; C186-I190 PolarHBondContact O-N 3.38Å
187I90.1Very high85.8Confident37 Ų3744.2 Ų44.219%0.1923%0.225CC..Hα-helixtrans-59.8-46.2178.5-69.4-176000110.5M165 L169 W183 C184 T189 I190 F191M165-I187 HydrophobicContact SD-CG2 3.79Å; L169-I187 HydrophobicContact CD2-CG2 3.64Å; L169-I187 HydrophobicContact CG-CG2 4.02Å; W183-I187 HydrophobicContact CE3-CD1 3.48Å; W183-I187 VanDerWaalsContact CE3-CD1 3.48Å; W183-I187 HydrophobicContact CE3-CG1 4.25Å; W183-I187 HydrophobicContact CZ3-CD1 3.6Å; W183-I187 WeakPolarHBondContact O-CG1 3.42Å; W183-I187 PolarHBondContact O-N 3.28Å; C184-I187 PolarHBondContact O-N 2.83Å; I187-T189 PolarHBondContact O-N 2.96Å; I187-I190 PolarHBondContact O-N 3.35Å; I187-F191 WeakPolarHBondContact O-CB 3.35Å; I187-F191 PolarHBondContact O-N 3.18Å
188T88.6Confident87.2Confident4 Ų442.7 Ų42.73%0.02522%0.218CC..Hα-helixtrans-63-41.1178.7-56.80000112.2C184 R185 C186 F191 N192 W242 W255C184-T188 WeakPolarHBondContact O-CB 3.27Å; C184-T188 PolarHBondContact O-N 3.04Å; C184-T188 PolarHBondContact O-OG1 3.46Å; R185-T188 PolarHBondContact O-N 3.26Å; C186-T188 VanDerWaalsContact C-N 3.34Å; C186-T188 PolarHBondContact O-N 3.07Å; T188-F191 WeakPolarHBondContact O-CB 3.43Å; T188-F191 PolarHBondContact O-N 3.14Å; T188-N192 PolarHBondContact O-N 2.9Å; T188-N192 PolarHBondContact O-ND2 2.8Å; T188-W242 HydrophobicContact CG2-CH2 4.41Å; T188-W255 HydrophobicContact CG2-CB 4.07Å; T188-W255 WeakPolarHBondContact CG2-O 3.45Å
189T91.5Very high88.5Confident30 Ų3037 Ų3718%0.18419%0.191CC..Hα-helixtrans-63.2-44.8175.7-57.70000111.7R185 C186 I187 F191 N192 Y193 I239 A243 W255R185-T189 WeakPolarHBondContact O-CB 3.45Å; R185-T189 PolarHBondContact O-N 2.89Å; R185-T189 PolarHBondContact O-OG1 3.24Å; C186-T189 PolarHBondContact O-N 3.13Å; I187-T189 PolarHBondContact O-N 2.96Å; T189-F191 VanDerWaalsContact C-N 3.32Å; T189-F191 PolarHBondContact O-N 2.95Å; T189-N192 PolarHBondContact O-N 3.33Å; T189-Y193 PolarHBondContact O-N 3.47Å; T189-I239 HydrophobicContact CG2-CG2 3.65Å; T189-A243 HydrophobicContact CG2-CB 4.11Å; T189-W255 VanDerWaalsContact OG1-CZ3 3.28Å; T189-W255 WeakPolarHBondContact OG1-CZ3 3.43Å
190I93.8Very high89.8Confident73 Ų7335.1 Ų35.137%0.37418%0.176SC..Hα-helixtrans-66.3-37.9178.8-62.6163000110.4M165 C186 I187 Y193 F194M165-I190 HydrophobicContact CE-CB 4.01Å; M165-I190 HydrophobicContact CE-CG2 3.39Å; M165-I190 HydrophobicContact SD-CG2 4.48Å; C186-I190 WeakPolarHBondContact O-CD1 3.4Å; C186-I190 WeakPolarHBondContact O-CG1 3.35Å; C186-I190 PolarHBondContact O-N 3.38Å; I187-I190 PolarHBondContact O-N 3.35Å; I190-Y193 WeakPolarHBondContact O-CB 3.33Å; I190-Y193 PolarHBondContact O-N 2.92Å; I190-F194 HydrophobicContact CG2-CD2 3.85Å; I190-F194 HydrophobicContact CG2-CE2 3.36Å; I190-F194 HydrophobicContact CG2-CZ 3.88Å; I190-F194 WeakPolarHBondContact O-CD2 3.3Å; I190-F194 PolarHBondContact O-N 2.86Å
191F92.9Very high90.9Very high35 Ų3533.4 Ų33.415%0.15417%0.167CC..Hα-helixtrans-58.4-52.6172.3177.2-109.3000111.9M165 W166 L169 I187 T188 T189 Y193 F194 V195M165-F191 HydrophobicContact CB-CD2 4.06Å; M165-F191 VanDerWaalsContact CG-CA 3.48Å; M165-F191 HydrophobicContact CG-CB 3.53Å; M165-F191 HydrophobicContact CG-CD2 3.84Å; M165-F191 HydrophobicContact CG-CG 4.18Å; W166-F191 HydrophobicContact CB-CE2 3.94Å; L169-F191 HydrophobicContact CD1-CB 3.47Å; L169-F191 VanDerWaalsContact CD1-CB 3.47Å; L169-F191 HydrophobicContact CD1-CD1 3.33Å; L169-F191 HydrophobicContact CD1-CD2 3.54Å; L169-F191 HydrophobicContact CD1-CE1 3.86Å; L169-F191 HydrophobicContact CD1-CE2 4.06Å; L169-F191 HydrophobicContact CD1-CG 3.14Å; L169-F191 HydrophobicContact CD1-CZ 4.19Å; L169-F191 HydrophobicContact CG-CB 4.3Å; L169-F191 HydrophobicContact CG-CG 4.34Å; I187-F191 WeakPolarHBondContact O-CB 3.35Å; I187-F191 PolarHBondContact O-N 3.18Å; T188-F191 WeakPolarHBondContact O-CB 3.43Å; T188-F191 PolarHBondContact O-N 3.14Å; T189-F191 VanDerWaalsContact C-N 3.32Å; T189-F191 PolarHBondContact O-N 2.95Å; F191-Y193 VanDerWaalsContact C-N 3.25Å; F191-Y193 PolarHBondContact O-N 3.24Å; F191-F194 PolarHBondContact O-N 3.4Å; F191-V195 HydrophobicContact CD1-CG2 4.16Å; F191-V195 HydrophobicContact CD2-CG2 4.32Å; F191-V195 HydrophobicContact CE1-CG2 3.78Å; F191-V195 HydrophobicContact CE2-CG2 3.94Å; F191-V195 HydrophobicContact CG-CG2 4.43Å; F191-V195 HydrophobicContact CZ-CG2 3.66Å; F191-V195 WeakPolarHBondContact O-CG2 3.18Å; F191-V195 PolarHBondContact O-N 2.91Å
192N92.1Very high91.3Very high12 Ų1229.5 Ų29.56%0.06415%0.149CC..Hα-helixtrans-60.4-37178.5-76.5-39.3000111.7T188 T189 V195 V196 I239 W242T188-N192 PolarHBondContact O-N 2.9Å; T188-N192 PolarHBondContact O-ND2 2.8Å; T189-N192 PolarHBondContact O-N 3.33Å; N192-V195 PolarHBondContact O-N 2.9Å; N192-V196 WeakPolarHBondContact O-CG2 3.43Å; N192-V196 PolarHBondContact O-N 2.8Å; N192-I239 HydrophobicContact CB-CD1 3.89Å; N192-W242 HydrophobicContact CB-CZ3 4.43Å; N192-W242 WeakPolarHBondContact ND2-CH2 3.17Å
193Y95.1Very high91.6Very high46 Ų4626.3 Ų26.318%0.1813%0.127CC..Hα-helixtrans-58.4-48.4170.1174.6-104.2000113.3T189 I190 F191 V195 V196 T197 W232 P235 F236T189-Y193 PolarHBondContact O-N 3.47Å; I190-Y193 WeakPolarHBondContact O-CB 3.33Å; I190-Y193 PolarHBondContact O-N 2.92Å; F191-Y193 VanDerWaalsContact C-N 3.25Å; F191-Y193 PolarHBondContact O-N 3.24Å; Y193-V195 VanDerWaalsContact C-N 3.31Å; Y193-V195 PolarHBondContact O-N 3.12Å; Y193-V196 PolarHBondContact O-N 2.98Å; Y193-T197 WeakPolarHBondContact CE2-OG1 3.25Å; Y193-T197 WeakPolarHBondContact O-CB 3.2Å; Y193-T197 PolarHBondContact O-N 3.3Å; Y193-T197 PolarHBondContact O-OG1 3.44Å; Y193-W232 PolarHBondContact OH-O 3.43Å; Y193-P235 HydrophobicContact CD2-CB 4.18Å; Y193-P235 HydrophobicContact CE2-CB 3.96Å; Y193-F236 HydrophobicContact CE2-CB 3.94Å; Y193-F236 HydrophobicContact CE2-CD2 4.36Å
194F95.4Very high92.1Very high29 Ų2921.4 Ų21.413%0.12711%0.108CC..Hα-helixtrans-67.8-31.2177.4-67.1-39.9000113L161 R162 M165 I190 F191 N198L161-F194 HydrophobicContact CB-CD1 3.9Å; L161-F194 HydrophobicContact CB-CD2 4Å; L161-F194 HydrophobicContact CB-CE1 4.04Å; L161-F194 HydrophobicContact CB-CE2 4.09Å; L161-F194 HydrophobicContact CB-CG 3.9Å; L161-F194 HydrophobicContact CB-CZ 4.12Å; L161-F194 HydrophobicContact CD1-CD1 4.1Å; L161-F194 HydrophobicContact CD1-CE1 3.7Å; L161-F194 HydrophobicContact CD1-CZ 4.15Å; L161-F194 HydrophobicContact CD2-CE2 4.44Å; L161-F194 HydrophobicContact CD2-CZ 4.12Å; L161-F194 HydrophobicContact CG-CE1 4.3Å; L161-F194 HydrophobicContact CG-CZ 4.36Å; R162-F194 HydrophobicContact CB-CB 4.46Å; M165-F194 HydrophobicContact CB-CD2 4Å; M165-F194 HydrophobicContact CE-CD2 4.27Å; M165-F194 HydrophobicContact CE-CE2 3.85Å; M165-F194 HydrophobicContact CG-CD2 4.31Å; I190-F194 HydrophobicContact CG2-CD2 3.85Å; I190-F194 HydrophobicContact CG2-CE2 3.36Å; I190-F194 HydrophobicContact CG2-CZ 3.88Å; I190-F194 WeakPolarHBondContact O-CD2 3.3Å; I190-F194 PolarHBondContact O-N 2.86Å; F191-F194 PolarHBondContact O-N 3.4Å; F194-N198 WeakPolarHBondContact O-CB 3.46Å; F194-N198 PolarHBondContact O-N 2.95Å
195V91.9Very high92.3Very high21 Ų2121.6 Ų21.613%0.12711%0.109CC..Hα-helixtrans-64.1-54.9172.4171.70000110.9R162 F191 N192 Y193 T197 N198 F199R162-V195 HydrophobicContact CG-CG2 4.14Å; F191-V195 HydrophobicContact CD1-CG2 4.16Å; F191-V195 HydrophobicContact CD2-CG2 4.32Å; F191-V195 HydrophobicContact CE1-CG2 3.78Å; F191-V195 HydrophobicContact CE2-CG2 3.94Å; F191-V195 HydrophobicContact CG-CG2 4.43Å; F191-V195 HydrophobicContact CZ-CG2 3.66Å; F191-V195 WeakPolarHBondContact O-CG2 3.18Å; F191-V195 PolarHBondContact O-N 2.91Å; N192-V195 PolarHBondContact O-N 2.9Å; Y193-V195 VanDerWaalsContact C-N 3.31Å; Y193-V195 PolarHBondContact O-N 3.12Å; V195-T197 PolarHBondContact O-N 3.36Å; V195-N198 WeakPolarHBondContact O-CB 3.35Å; V195-N198 PolarHBondContact O-N 2.77Å; V195-F199 HydrophobicContact CG1-CD2 4.08Å; V195-F199 HydrophobicContact CG1-CE2 3.71Å; V195-F199 WeakPolarHBondContact O-CD2 3.32Å; V195-F199 PolarHBondContact O-N 2.87Å; V195-F199 VanDerWaalsContact O-N 3.16Å
196V93.5Very high92.4Very high0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-60.1-47.5178.7177.20000110.2N192 Y193 N198 F199 F200 P235 I239 Y268 I272N192-V196 WeakPolarHBondContact O-CG2 3.43Å; N192-V196 PolarHBondContact O-N 2.8Å; Y193-V196 PolarHBondContact O-N 2.98Å; V196-N198 VanDerWaalsContact C-N 3.27Å; V196-N198 PolarHBondContact O-N 3.09Å; V196-F199 WeakPolarHBondContact O-CA 3.44Å; V196-F199 WeakPolarHBondContact O-CB 3.44Å; V196-F199 PolarHBondContact O-N 3.34Å; V196-F200 HydrophobicContact CG1-CD2 3.63Å; V196-F200 HydrophobicContact CG1-CE2 3.6Å; V196-F200 WeakPolarHBondContact O-CD2 3.16Å; V196-F200 PolarHBondContact O-N 2.97Å; V196-P235 HydrophobicContact CB-CB 4.26Å; V196-P235 HydrophobicContact CG1-CB 3.73Å; V196-P235 HydrophobicContact CG1-CG 4.22Å; V196-I239 HydrophobicContact CB-CD1 4.49Å; V196-I239 HydrophobicContact CB-CG1 4.43Å; V196-I239 HydrophobicContact CG2-CD1 3.62Å; V196-I239 HydrophobicContact CG2-CG1 4.06Å; V196-Y268 HydrophobicContact CG2-CD2 3.89Å; V196-Y268 HydrophobicContact CG2-CG 4.42Å; V196-I272 HydrophobicContact CG2-CD1 3.89Å; V196-I272 HydrophobicContact CG2-CG1 4.27Å
197T95.5Very high92.5Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-56.7-40.9177.8-620000111.9T158 Y193 V195 F199 F200 W201 G231 W232 P235T158-T197 HydrophobicContact CG2-CG2 3.79Å; Y193-T197 WeakPolarHBondContact CE2-OG1 3.25Å; Y193-T197 WeakPolarHBondContact O-CB 3.2Å; Y193-T197 PolarHBondContact O-N 3.3Å; Y193-T197 PolarHBondContact O-OG1 3.44Å; V195-T197 PolarHBondContact O-N 3.36Å; T197-F199 PolarHBondContact O-N 3.23Å; T197-F200 PolarHBondContact O-N 3.44Å; T197-W201 VanDerWaalsContact O-CD1 3.26Å; T197-W201 PolarHBondContact O-N 3.18Å; T197-G231 WeakPolarHBondContact CG2-O 3.19Å; T197-W232 HydrophobicContact CG2-CD2 4.22Å; T197-W232 HydrophobicContact CG2-CE3 3.54Å; T197-W232 HydrophobicContact CG2-CH2 4.33Å; T197-W232 HydrophobicContact CG2-CZ3 3.62Å; T197-P235 WeakPolarHBondContact OG1-CB 3.43Å
198N93.9Very high92.5Very high0 Ų018.2 Ų18.20%09%0.09CC..Hα-helixtrans-61.4-42.3175-179.4-114.7000112.1T158 F159 R162 F194 V195 V196 W201 M202T158-N198 PolarHBondContact OG1-ND2 2.92Å; F159-N198 WeakPolarHBondContact CD1-ND2 3.35Å; F159-N198 WeakPolarHBondContact CE1-ND2 3.47Å; R162-N198 PolarHBondContact NH1-OD1 3.14Å; F194-N198 WeakPolarHBondContact O-CB 3.46Å; F194-N198 PolarHBondContact O-N 2.95Å; V195-N198 WeakPolarHBondContact O-CB 3.35Å; V195-N198 PolarHBondContact O-N 2.77Å; V196-N198 VanDerWaalsContact C-N 3.27Å; V196-N198 PolarHBondContact O-N 3.09Å; N198-W201 PolarHBondContact O-N 3.31Å; N198-M202 WeakPolarHBondContact O-CG 3.31Å; N198-M202 PolarHBondContact O-N 3.33Å
199F92.4Very high92.5Very high8 Ų820.4 Ų20.44%0.03510%0.101CC..Hα-helixtrans-62.3-43.9173.2-74.7-71.7000113.2V195 V196 T197 W201 M202 F203 I272 L276 Y323V195-F199 HydrophobicContact CG1-CD2 4.08Å; V195-F199 HydrophobicContact CG1-CE2 3.71Å; V195-F199 WeakPolarHBondContact O-CD2 3.32Å; V195-F199 PolarHBondContact O-N 2.87Å; V195-F199 VanDerWaalsContact O-N 3.16Å; V196-F199 WeakPolarHBondContact O-CA 3.44Å; V196-F199 WeakPolarHBondContact O-CB 3.44Å; V196-F199 PolarHBondContact O-N 3.34Å; T197-F199 PolarHBondContact O-N 3.23Å; F199-W201 VanDerWaalsContact C-N 3.31Å; F199-W201 PolarHBondContact O-N 2.84Å; F199-M202 HydrophobicContact CB-CE 4.31Å; F199-M202 HydrophobicContact CD1-CE 3.3Å; F199-M202 HydrophobicContact CE1-CE 3.73Å; F199-M202 HydrophobicContact CG-CE 3.9Å; F199-M202 PolarHBondContact O-N 3.29Å; F199-F203 PolarHBondContact O-N 3.28Å; F199-I272 HydrophobicContact CB-CG1 4.45Å; F199-I272 HydrophobicContact CD1-CG2 3.99Å; F199-I272 HydrophobicContact CD2-CB 4.43Å; F199-I272 HydrophobicContact CD2-CD1 3.75Å; F199-I272 HydrophobicContact CD2-CG1 3.84Å; F199-I272 HydrophobicContact CD2-CG2 3.73Å; F199-I272 HydrophobicContact CE1-CG2 4.07Å; F199-I272 HydrophobicContact CE2-CD1 3.95Å; F199-I272 HydrophobicContact CE2-CG1 4.41Å; F199-I272 HydrophobicContact CE2-CG2 3.79Å; F199-I272 HydrophobicContact CG-CG1 4.29Å; F199-I272 HydrophobicContact CG-CG2 3.84Å; F199-I272 HydrophobicContact CZ-CG2 3.96Å; F199-L276 HydrophobicContact CD1-CD1 4.26Å; F199-L276 HydrophobicContact CD1-CD2 3.79Å; F199-L276 HydrophobicContact CD1-CG 4.03Å; F199-L276 HydrophobicContact CE1-CD1 3.88Å; F199-L276 HydrophobicContact CE1-CD2 3.8Å; F199-L276 HydrophobicContact CE1-CG 4.09Å; F199-Y323 HydrophobicContact CE1-CD1 4.25Å; F199-Y323 AromaticContact CE1-CD2 3.42Å; F199-Y323 HydrophobicContact CE1-CD2 3.42Å; F199-Y323 VanDerWaalsContact CE1-CD2 3.42Å; F199-Y323 HydrophobicContact CE1-CE1 4.46Å; F199-Y323 AromaticContact CE1-CE2 3.67Å; F199-Y323 HydrophobicContact CE1-CE2 3.67Å; F199-Y323 AromaticContact CE1-CG 3.71Å; F199-Y323 HydrophobicContact CE1-CG 3.71Å; F199-Y323 AromaticContact CZ-CD1 3.67Å; F199-Y323 HydrophobicContact CZ-CD1 3.67Å; F199-Y323 AromaticContact CZ-CD2 3.64Å; F199-Y323 HydrophobicContact CZ-CD2 3.64Å; F199-Y323 AromaticContact CZ-CE1 3.68Å; F199-Y323 HydrophobicContact CZ-CE1 3.68Å; F199-Y323 AromaticContact CZ-CE2 3.63Å; F199-Y323 HydrophobicContact CZ-CE2 3.63Å; F199-Y323 AromaticContact CZ-CG 3.63Å; F199-Y323 HydrophobicContact CZ-CG 3.63Å; F199-Y323 AromaticContact CZ-CZ 3.63Å
200F94Very high92.4Very high14 Ų1420.6 Ų20.66%0.06110%0.1CC..Hα-helixtrans-64.4-35.3176.3-86.8-96.8000112.4V196 T197 F203 V204 I230 I234 P235 I238 V275V196-F200 HydrophobicContact CG1-CD2 3.63Å; V196-F200 HydrophobicContact CG1-CE2 3.6Å; V196-F200 WeakPolarHBondContact O-CD2 3.16Å; V196-F200 PolarHBondContact O-N 2.97Å; T197-F200 PolarHBondContact O-N 3.44Å; F200-F203 WeakPolarHBondContact O-CB 3.15Å; F200-F203 PolarHBondContact O-N 3.43Å; F200-V204 WeakPolarHBondContact O-CG2 3.2Å; F200-V204 PolarHBondContact O-N 3.38Å; F200-I230 HydrophobicContact CD1-CG2 4.41Å; F200-I234 HydrophobicContact CD1-CB 4.31Å; F200-I234 HydrophobicContact CD1-CG2 4.2Å; F200-I234 HydrophobicContact CE1-CB 4Å; F200-I234 HydrophobicContact CE1-CG2 3.42Å; F200-I234 VanDerWaalsContact CE1-CG2 3.42Å; F200-I234 HydrophobicContact CZ-CG2 3.72Å; F200-P235 HydrophobicContact CB-CG 3.94Å; F200-P235 HydrophobicContact CD2-CG 3.83Å; F200-P235 HydrophobicContact CE2-CG 4.47Å; F200-P235 HydrophobicContact CG-CG 3.83Å; F200-I238 HydrophobicContact CE2-CD1 4Å; F200-I238 HydrophobicContact CZ-CD1 3.79Å; F200-V275 HydrophobicContact CE1-CG2 4.3Å; F200-V275 HydrophobicContact CE2-CG2 4.41Å; F200-V275 HydrophobicContact CZ-CG2 4.18Å
201W94.5Very high92.2Very high2 Ų218.3 Ų18.31%0.0089%0.089CC..Hα-helixtrans-70.8-36.4174.1-86.798.2000113.2I151 N154 L155 T158 T197 N198 F199 F203 V204 E205 L228 G231 W232I151-W201 HydrophobicContact CG2-CZ3 4.35Å; N154-W201 HydrophobicContact CB-CD2 3.74Å; N154-W201 HydrophobicContact CB-CE3 3.58Å; N154-W201 HydrophobicContact CB-CH2 3.3Å; N154-W201 HydrophobicContact CB-CZ2 3.45Å; N154-W201 VanDerWaalsContact CB-CZ2 3.45Å; N154-W201 HydrophobicContact CB-CZ3 3.36Å; N154-W201 VanDerWaalsContact CG-CH2 3.42Å; L155-W201 HydrophobicContact CD1-CB 3.78Å; T158-W201 HydrophobicContact CG2-CB 4.17Å; T158-W201 HydrophobicContact CG2-CG 3.78Å; T197-W201 VanDerWaalsContact O-CD1 3.26Å; T197-W201 PolarHBondContact O-N 3.18Å; N198-W201 PolarHBondContact O-N 3.31Å; F199-W201 VanDerWaalsContact C-N 3.31Å; F199-W201 PolarHBondContact O-N 2.84Å; W201-F203 VanDerWaalsContact C-N 3.27Å; W201-F203 PolarHBondContact O-N 3.02Å; W201-V204 HydrophobicContact CE3-CB 4.25Å; W201-V204 HydrophobicContact CE3-CG1 4.01Å; W201-V204 HydrophobicContact CZ3-CG1 3.83Å; W201-V204 PolarHBondContact O-N 2.86Å; W201-E205 WeakPolarHBondContact O-CB 3.35Å; W201-E205 PolarHBondContact O-N 3.46Å; W201-L228 HydrophobicContact CH2-CD2 3.86Å; W201-L228 HydrophobicContact CZ2-CD2 4.09Å; W201-G231 PolarHBondContact NE1-O 2.96Å; W201-W232 AromaticContact CE2-CD1 3.91Å; W201-W232 AromaticContact CE2-NE1 3.59Å; W201-W232 AromaticContact CZ2-CD1 3.45Å; W201-W232 VanDerWaalsContact CZ2-CD1 3.45Å; W201-W232 HydrophobicContact CZ2-CG 4.35Å; W201-W232 AromaticContact CZ2-NE1 3.26Å; W201-W232 VanDerWaalsContact CZ2-NE1 3.26Å; W201-W232 AromaticContact NE1-CD1 3.75Å; W201-W232 AromaticContact NE1-CD2 3.72Å; W201-W232 AromaticContact NE1-CE2 3.47Å; W201-W232 AromaticContact NE1-CG 3.88Å; W201-W232 AromaticContact NE1-CZ2 3.98Å; W201-W232 AromaticContact NE1-NE1 3.48Å
202M90.8Very high92Very high0 Ų017.9 Ų17.90%09%0.092CC..Hα-helixtrans-61.2-38.7169.6-71.7-174.3-72.900111.1L155 F159 N198 F199 E205 G206 Q351L155-M202 HydrophobicContact CD1-CG 3.78Å; F159-M202 HydrophobicContact CZ-SD 4.16Å; N198-M202 WeakPolarHBondContact O-CG 3.31Å; N198-M202 PolarHBondContact O-N 3.33Å; F199-M202 HydrophobicContact CB-CE 4.31Å; F199-M202 HydrophobicContact CD1-CE 3.3Å; F199-M202 HydrophobicContact CE1-CE 3.73Å; F199-M202 HydrophobicContact CG-CE 3.9Å; F199-M202 PolarHBondContact O-N 3.29Å; M202-E205 PolarHBondContact O-N 3.31Å; M202-G206 PolarHBondContact O-N 3.33Å; M202-Q351 PolarHBondContact SD-NE2 3.43Å
203F91.8Very high91.7Very high38 Ų3819.5 Ų19.517%0.16710%0.1CC..Hα-helixtrans-65.4-46.6173.4171.6-105.9000114.4F199 F200 W201 E205 G206 C207 I230 V275 I278 N279 F282F199-F203 PolarHBondContact O-N 3.28Å; F200-F203 WeakPolarHBondContact O-CB 3.15Å; F200-F203 PolarHBondContact O-N 3.43Å; W201-F203 VanDerWaalsContact C-N 3.27Å; W201-F203 PolarHBondContact O-N 3.02Å; F203-E205 PolarHBondContact O-N 3.31Å; F203-G206 PolarHBondContact O-N 3.27Å; F203-C207 VanDerWaalsContact O-CB 3.23Å; F203-C207 WeakPolarHBondContact O-CB 3.38Å; F203-C207 PolarHBondContact O-N 3.45Å; F203-I230 HydrophobicContact CD1-CG2 4.3Å; F203-I230 HydrophobicContact CE1-CG2 4.32Å; F203-V275 HydrophobicContact CB-CG1 3.48Å; F203-V275 VanDerWaalsContact CB-CG1 3.48Å; F203-V275 HydrophobicContact CD2-CG1 4.25Å; F203-V275 HydrophobicContact CG-CG1 4.01Å; F203-I278 HydrophobicContact CD2-CG2 4.43Å; F203-I278 HydrophobicContact CE2-CB 4.33Å; F203-I278 HydrophobicContact CE2-CG2 3.76Å; F203-N279 WeakPolarHBondContact CA-OD1 3.39Å; F203-F282 HydrophobicContact CD2-CE2 4.32Å; F203-F282 AromaticContact CE2-CE2 3.79Å; F203-F282 HydrophobicContact CE2-CE2 3.79Å; F203-F282 HydrophobicContact CE2-CZ 4.45Å
204V92.9Very high91.4Very high2 Ų220.7 Ų20.71%0.01211%0.112CC..Hα-helixtrans-55.7-41.6175.3162.30000110.3I151 F200 W201 Y208 F227 I230I151-V204 HydrophobicContact CG2-CG1 4.17Å; F200-V204 WeakPolarHBondContact O-CG2 3.2Å; F200-V204 PolarHBondContact O-N 3.38Å; W201-V204 HydrophobicContact CE3-CB 4.25Å; W201-V204 HydrophobicContact CE3-CG1 4.01Å; W201-V204 HydrophobicContact CZ3-CG1 3.83Å; W201-V204 PolarHBondContact O-N 2.86Å; V204-Y208 VanDerWaalsContact O-CB 3.25Å; V204-Y208 WeakPolarHBondContact O-CB 3.23Å; V204-Y208 PolarHBondContact O-N 3.47Å; V204-F227 HydrophobicContact CG1-CB 3.88Å; V204-F227 HydrophobicContact CG1-CD1 3.67Å; V204-F227 HydrophobicContact CG1-CG 4.07Å; V204-I230 HydrophobicContact CG2-CB 4.02Å; V204-I230 HydrophobicContact CG2-CG2 3.57Å
205E90.8Very high90.9Very high6 Ų624.5 Ų24.53%0.02813%0.132CC..Hα-helixtrans-66.3-47.5175.5-177.7169.3-109.500113I151 H152 L155 W201 M202 F203 C207 Y208 L209 Y359I151-E205 HydrophobicContact CG2-CB 4.1Å; H152-E205 IonicContact CE1-OE1 3.96Å; H152-E205 PolarHBondContact CE1-OE1 3.24Å; H152-E205 IonicContact CG-OE1 2.95Å; H152-E205 IonicContact ND1-OE1 3.1Å; H152-E205 PolarHBondContact ND1-OE1 3.44Å; L155-E205 VanDerWaalsContact CD2-CD 3.47Å; L155-E205 WeakPolarHBondContact CD2-OE2 3.39Å; W201-E205 WeakPolarHBondContact O-CB 3.35Å; W201-E205 PolarHBondContact O-N 3.46Å; M202-E205 PolarHBondContact O-N 3.31Å; F203-E205 PolarHBondContact O-N 3.31Å; E205-C207 PolarHBondContact O-N 2.96Å; E205-Y208 PolarHBondContact O-N 2.89Å; E205-L209 WeakPolarHBondContact O-CB 3.48Å; E205-L209 PolarHBondContact O-N 3.46Å; E205-Y359 VanDerWaalsContact CD-CE2 3.4Å; E205-Y359 VanDerWaalsContact CD-CZ 3.46Å; E205-Y359 WeakPolarHBondContact OE1-CE2 3.23Å; E205-Y359 PolarHBondContact OE1-OH 2.94Å; E205-Y359 VanDerWaalsContact OE1-OH 3.09Å; E205-Y359 WeakPolarHBondContact OE2-CE2 2.99Å; E205-Y359 PolarHBondContact OE2-OH 3.31Å
206G90.2Very high90.1Very high0 Ų027.9 Ų27.90%015%0.152CC..Hα-helixtrans-59-44.8176.300000112.5M202 F203 L209 H210M202-G206 PolarHBondContact O-N 3.33Å; F203-G206 PolarHBondContact O-N 3.27Å; G206-L209 PolarHBondContact O-N 3.38Å; G206-H210 VanDerWaalsContact O-CB 3.31Å; G206-H210 WeakPolarHBondContact O-CB 3.33Å; G206-H210 PolarHBondContact O-N 3.18Å
207C90.8Very high89.1Confident33 Ų3338.1 Ų38.122%0.22319%0.193CC..Hα-helixtrans-63.5-44.4176.3-177.60000111.9F203 E205 T211 F282F203-C207 VanDerWaalsContact O-CB 3.23Å; F203-C207 WeakPolarHBondContact O-CB 3.38Å; F203-C207 PolarHBondContact O-N 3.45Å; E205-C207 PolarHBondContact O-N 2.96Å; C207-T211 VanDerWaalsContact O-CB 3.31Å; C207-T211 WeakPolarHBondContact O-CB 3.48Å; C207-T211 PolarHBondContact O-N 3.08Å; C207-T211 PolarHBondContact O-OG1 2.96Å; C207-F282 HydrophobicContact CB-CE2 3.92Å
208Y90.3Very high88.2Confident29 Ų2940.1 Ų40.111%0.11421%0.206CC..Hα-helixtrans-61.1-47.1175.6172.5-103000111.5L147 R148 I151 V204 E205 T211 A212 F227L147-Y208 HydrophobicContact CD2-CD2 4.47Å; L147-Y208 HydrophobicContact CD2-CE2 3.83Å; L147-Y208 HydrophobicContact CG-CE2 4.09Å; R148-Y208 HydrophobicContact CB-CE1 3.87Å; R148-Y208 HydrophobicContact CG-CE1 4.07Å; I151-Y208 HydrophobicContact CD1-CD1 3.86Å; I151-Y208 HydrophobicContact CD1-CD2 3.63Å; I151-Y208 HydrophobicContact CD1-CE1 4.37Å; I151-Y208 HydrophobicContact CD1-CE2 4.18Å; I151-Y208 HydrophobicContact CD1-CG 3.46Å; I151-Y208 VanDerWaalsContact CD1-CG 3.46Å; V204-Y208 VanDerWaalsContact O-CB 3.25Å; V204-Y208 WeakPolarHBondContact O-CB 3.23Å; V204-Y208 PolarHBondContact O-N 3.47Å; E205-Y208 PolarHBondContact O-N 2.89Å; Y208-T211 PolarHBondContact O-N 3.37Å; Y208-A212 VanDerWaalsContact O-CB 3.3Å; Y208-A212 WeakPolarHBondContact O-CB 3.48Å; Y208-A212 PolarHBondContact O-N 2.95Å; Y208-F227 HydrophobicContact CD2-CE2 4.42Å; Y208-F227 HydrophobicContact CD2-CZ 4.37Å
209L88.5Confident87.2Confident50 Ų5041.5 Ų41.526%0.26222%0.215SC..Hα-helixtrans-64-45.3179.8-177.761.6000111.6E205 G206 A212 I213 I286 L315E205-L209 WeakPolarHBondContact O-CB 3.48Å; E205-L209 PolarHBondContact O-N 3.46Å; G206-L209 PolarHBondContact O-N 3.38Å; L209-A212 PolarHBondContact O-N 3.09Å; L209-I213 HydrophobicContact CD1-CD1 3.88Å; L209-I213 HydrophobicContact CD1-CG1 4.42Å; L209-I213 HydrophobicContact CG-CD1 4.03Å; L209-I213 WeakPolarHBondContact O-CG1 3.45Å; L209-I213 PolarHBondContact O-N 3.03Å; L209-I213 VanDerWaalsContact O-N 3.09Å; L209-I286 HydrophobicContact CB-CD1 4.23Å; L209-I286 HydrophobicContact CD2-CD1 3.87Å; L209-I286 HydrophobicContact CD2-CG2 4.49Å; L209-I286 HydrophobicContact CG-CD1 3.85Å; L209-L315 HydrophobicContact CD2-CD2 3.83Å
210H89Confident86.1Confident35 Ų3549.9 Ų49.916%0.16225%0.254CS..Hα-helixtrans-59.7-48.2176.2-178.8-94.2000111.1G206 A212 I213 V214 F282 I286G206-H210 VanDerWaalsContact O-CB 3.31Å; G206-H210 WeakPolarHBondContact O-CB 3.33Å; G206-H210 PolarHBondContact O-N 3.18Å; H210-A212 PolarHBondContact O-N 3.21Å; H210-I213 PolarHBondContact O-N 3.21Å; H210-V214 WeakPolarHBondContact O-CB 3.49Å; H210-V214 WeakPolarHBondContact O-CG2 3.25Å; H210-V214 PolarHBondContact O-N 3.28Å; H210-F282 HydrophobicContact CB-CB 4.33Å; H210-F282 HydrophobicContact CB-CD1 4.19Å; H210-F282 HydrophobicContact CB-CG 4.14Å; H210-F282 AromaticContact CD2-CD1 3.83Å; H210-F282 AromaticContact CG-CD1 3.79Å; H210-I286 HydrophobicContact CB-CD1 4.11Å; H210-I286 HydrophobicContact CB-CG1 4.35Å
211T89.4Confident84.9Confident25 Ų2559.4 Ų59.415%0.15329%0.29CS..Hα-helixtrans-64-40.5179.6-54.90000111.9C207 Y208 I213 M215 L222C207-T211 VanDerWaalsContact O-CB 3.31Å; C207-T211 WeakPolarHBondContact O-CB 3.48Å; C207-T211 PolarHBondContact O-N 3.08Å; C207-T211 PolarHBondContact O-OG1 2.96Å; Y208-T211 PolarHBondContact O-N 3.37Å; T211-I213 VanDerWaalsContact C-N 3.29Å; T211-I213 PolarHBondContact O-N 3.44Å; T211-M215 HydrophobicContact CG2-CB 4.38Å; T211-M215 CarbonylContact O-C 3.58Å; T211-M215 WeakPolarHBondContact O-CA 3.44Å; T211-M215 PolarHBondContact O-N 2.9Å; T211-L222 HydrophobicContact CG2-CD1 3.9Å
212A88.6Confident83.9Confident25 Ų2561.4 Ų61.421%0.20730%0.3CS..Hα-helixtrans-64.5-32.3177.100000113.2Y208 L209 H210 T219Y208-A212 VanDerWaalsContact O-CB 3.3Å; Y208-A212 WeakPolarHBondContact O-CB 3.48Å; Y208-A212 PolarHBondContact O-N 2.95Å; L209-A212 PolarHBondContact O-N 3.09Å; H210-A212 PolarHBondContact O-N 3.21Å; A212-T219 HydrophobicContact CB-CG2 3.86Å
213I87Confident83.4Confident47 Ų4771.1 Ų71.124%0.24134%0.337CS..Hα-helixtrans-81.5-39.6179.8-70.5172.2000112L209 H210 T211 I286 I289L209-I213 HydrophobicContact CD1-CD1 3.88Å; L209-I213 HydrophobicContact CD1-CG1 4.42Å; L209-I213 HydrophobicContact CG-CD1 4.03Å; L209-I213 WeakPolarHBondContact O-CG1 3.45Å; L209-I213 PolarHBondContact O-N 3.03Å; L209-I213 VanDerWaalsContact O-N 3.09Å; H210-I213 PolarHBondContact O-N 3.21Å; T211-I213 VanDerWaalsContact C-N 3.29Å; T211-I213 PolarHBondContact O-N 3.44Å; I213-I286 HydrophobicContact CD1-CB 4.46Å; I213-I286 HydrophobicContact CD1-CG1 4.16Å; I213-I286 HydrophobicContact CD1-CG2 3.74Å; I213-I289 HydrophobicContact CG2-CB 4.1Å; I213-I289 HydrophobicContact CG2-CD1 3.99Å; I213-I289 HydrophobicContact CG2-CG2 3.56Å
214V87.9Confident82.8Confident71 Ų7175.1 Ų75.143%0.4335%0.354SS..Hα-helixtrans-84.4-42.8-176.8176.90000111.8H210 I289H210-V214 WeakPolarHBondContact O-CB 3.49Å; H210-V214 WeakPolarHBondContact O-CG2 3.25Å; H210-V214 PolarHBondContact O-N 3.28Å; V214-I289 HydrophobicContact CG2-CD1 3.74Å
215M84.5Confident82.5Confident109 Ų10979.5 Ų79.554%0.53738%0.384SS..  trans-123.265.6-173.6-56.8-173.7-159.300110.9T211 Y217 S218T211-M215 HydrophobicContact CG2-CB 4.38Å; T211-M215 CarbonylContact O-C 3.58Å; T211-M215 WeakPolarHBondContact O-CA 3.44Å; T211-M215 PolarHBondContact O-N 2.9Å; M215-Y217 PolarHBondContact O-N 2.94Å; M215-S218 PolarHBondContact O-N 2.87Å
216T76.7Confident82.4Confident91 Ų9183.6 Ų83.656%0.55841%0.405SS*.THydrogen-bonded Turntrans-48.4-35.7-177.4-450000113.5T219T216-T219 PolarHBondContact O-OG1 3.47Å
217Y72.6Confident82.4Confident216 Ų21684.2 Ų84.285%0.84741%0.408SS*.THydrogen-bonded Turntrans-82.2-18.3-178.6-63.9-76.9000114.6M215M215-Y217 PolarHBondContact O-N 2.94Å
218S75.8Confident82.4Confident41 Ų4185.9 Ų85.929%0.28741%0.414SS..THydrogen-bonded Turntrans-84.9-20.3-173.8-165.40000113M215 E220 R221M215-S218 PolarHBondContact O-N 2.87Å; S218-E220 PolarHBondContact O-N 3.09Å; S218-E220 VanDerWaalsContact O-N 3.1Å; S218-R221 PolarHBondContact O-N 3.43Å
219T72.5Confident82.5Confident29 Ų2990 Ų9018%0.17843%0.433CS..THydrogen-bonded Turntrans-61.5-26.3-173.151.30000114.1A212 T216 R221 L222A212-T219 HydrophobicContact CB-CG2 3.86Å; T216-T219 PolarHBondContact O-OG1 3.47Å; T219-R221 VanDerWaalsContact C-N 3.32Å; T219-L222 PolarHBondContact O-N 3.25Å
220E69.4Low82.7Confident185 Ų18589.2 Ų89.286%0.86443%0.429SS*.THydrogen-bonded Turntrans-72-25.8177.2-61.7-168.2159.700113S218 L222S218-E220 PolarHBondContact O-N 3.09Å; S218-E220 VanDerWaalsContact O-N 3.1Å; E220-L222 VanDerWaalsContact C-N 3.34Å
221R69.3Low82.9Confident214 Ų21487.5 Ų87.581%0.80842%0.421SS*.THydrogen-bonded Turntrans-81.1-16.1178.2-63.8-176.6-177.2177.70.9112.8S218 T219 R223S218-R221 PolarHBondContact O-N 3.43Å; T219-R221 VanDerWaalsContact C-N 3.32Å; R221-R223 PolarHBondContact O-N 3.22Å
222L74.2Confident83.2Confident43 Ų4389.2 Ų89.223%0.22543%0.425CS..SBendtrans-71.9112.2-178.3-61.6174.7000110T211 T219 E220 K224 F227T211-L222 HydrophobicContact CG2-CD1 3.9Å; T219-L222 PolarHBondContact O-N 3.25Å; E220-L222 VanDerWaalsContact C-N 3.34Å; L222-K224 PolarHBondContact O-N 3.48Å; L222-F227 HydrophobicContact CB-CE2 3.83Å; L222-F227 HydrophobicContact CB-CZ 4.33Å; L222-F227 HydrophobicContact CD1-CE2 4.11Å; L222-F227 HydrophobicContact CD1-CZ 3.86Å
223R79.5Confident83.4Confident205 Ų20590.9 Ų90.977%0.77443%0.434SS*.  trans-67.7124.6179.2-64.1-177.5-178.1-175.50.6109.5R221 C225 L226R221-R223 PolarHBondContact O-N 3.22Å; R223-C225 PolarHBondContact O-N 2.61Å; R223-C225 VanDerWaalsContact O-N 3.09Å; R223-L226 WeakPolarHBondContact O-CB 3.41Å; R223-L226 PolarHBondContact O-N 2.68Å
224K79.5Confident83.7Confident122 Ų12291.4 Ų91.453%0.5344%0.437SS..Hα-helixtrans-52.2-35.4176.7-48.8-169.4179.9165.70112.9L147 L222 L226 F227 L228L147-K224 HydrophobicContact CD1-CB 4.3Å; L147-K224 HydrophobicContact CD1-CD 4.19Å; L147-K224 HydrophobicContact CD1-CG 3.81Å; L222-K224 PolarHBondContact O-N 3.48Å; K224-L226 VanDerWaalsContact C-N 3.28Å; K224-L226 PolarHBondContact O-N 3Å; K224-F227 PolarHBondContact O-N 3.25Å; K224-L228 PolarHBondContact O-N 2.79Å
225C86Confident84.1Confident93 Ų9388 Ų8863%0.62842%0.416SS*.Hα-helixtrans-59.3-36.7178.1-170.40000112.6R223 F227 L228 F229R223-C225 PolarHBondContact O-N 2.61Å; R223-C225 VanDerWaalsContact O-N 3.09Å; C225-F227 PolarHBondContact O-N 2.92Å; C225-L228 PolarHBondContact O-N 2.89Å; C225-F229 WeakPolarHBondContact O-CB 3.36Å; C225-F229 PolarHBondContact O-N 3.15Å
226L89.9Confident84.6Confident93 Ų9388.7 Ų88.749%0.48742%0.417SS..Hα-helixtrans-61.9-46.5-179.8-178.366.9000111.3R223 K224 F229 I230R223-L226 WeakPolarHBondContact O-CB 3.41Å; R223-L226 PolarHBondContact O-N 2.68Å; K224-L226 VanDerWaalsContact C-N 3.28Å; K224-L226 PolarHBondContact O-N 3Å; L226-F229 PolarHBondContact O-N 3.42Å; L226-I230 HydrophobicContact CD1-CD1 4.21Å; L226-I230 HydrophobicContact CG-CD1 3.94Å; L226-I230 VanDerWaalsContact O-CG1 3.28Å; L226-I230 WeakPolarHBondContact O-CG1 3.43Å; L226-I230 PolarHBondContact O-N 3.3Å
227F90.2Very high85.5Confident12 Ų1287.9 Ų87.95%0.05341%0.413CS..Hα-helixtrans-66.2-38.6178.9-69.1-59.4000112.8V204 Y208 L222 K224 C225 F229 I230 G231V204-F227 HydrophobicContact CG1-CB 3.88Å; V204-F227 HydrophobicContact CG1-CD1 3.67Å; V204-F227 HydrophobicContact CG1-CG 4.07Å; Y208-F227 HydrophobicContact CD2-CE2 4.42Å; Y208-F227 HydrophobicContact CD2-CZ 4.37Å; L222-F227 HydrophobicContact CB-CE2 3.83Å; L222-F227 HydrophobicContact CB-CZ 4.33Å; L222-F227 HydrophobicContact CD1-CE2 4.11Å; L222-F227 HydrophobicContact CD1-CZ 3.86Å; K224-F227 PolarHBondContact O-N 3.25Å; C225-F227 PolarHBondContact O-N 2.92Å; F227-F229 VanDerWaalsContact C-N 3.34Å; F227-I230 PolarHBondContact O-N 3.1Å; F227-G231 PolarHBondContact O-N 2.97Å
228L89.9Confident86.5Confident68 Ų6879 Ų7936%0.35638%0.38SS..Hα-helixtrans-63.8-41.5175.3-71.1166.8000111.6W201 K224 C225 G231 W232W201-L228 HydrophobicContact CH2-CD2 3.86Å; W201-L228 HydrophobicContact CZ2-CD2 4.09Å; K224-L228 PolarHBondContact O-N 2.79Å; C225-L228 PolarHBondContact O-N 2.89Å; L228-G231 PolarHBondContact O-N 3.06Å; L228-W232 PolarHBondContact O-N 3.06Å
229F92.4Very high87.4Confident115 Ų11577.3 Ų77.350%0.50437%0.367SS..Iπ-helixtrans-64.4-46.2176.6-176-93.9000111.7C225 L226 F227 G231 C233 I234C225-F229 WeakPolarHBondContact O-CB 3.36Å; C225-F229 PolarHBondContact O-N 3.15Å; L226-F229 PolarHBondContact O-N 3.42Å; F227-F229 VanDerWaalsContact C-N 3.34Å; F229-G231 VanDerWaalsContact C-N 3.33Å; F229-G231 PolarHBondContact O-N 3.17Å; F229-C233 HydrophobicContact CD2-CB 3.56Å; F229-C233 HydrophobicContact CE2-CB 3.58Å; F229-C233 HydrophobicContact CG-CB 4.06Å; F229-C233 HydrophobicContact CZ-CB 4.08Å; F229-C233 WeakPolarHBondContact O-CA 3.34Å; F229-C233 VanDerWaalsContact O-CB 3.24Å; F229-C233 WeakPolarHBondContact O-CB 2.92Å; F229-C233 PolarHBondContact O-N 2.9Å; F229-I234 HydrophobicContact CE1-CG1 4.36Å; F229-I234 PolarHBondContact O-N 3.05Å
230I93.1Very high88.4Confident34 Ų3478.7 Ų78.717%0.17438%0.375CS..Iπ-helixtrans-60.8-44.4177.3-68166.4000111F200 F203 V204 L226 F227 I234F200-I230 HydrophobicContact CD1-CG2 4.41Å; F203-I230 HydrophobicContact CD1-CG2 4.3Å; F203-I230 HydrophobicContact CE1-CG2 4.32Å; V204-I230 HydrophobicContact CG2-CB 4.02Å; V204-I230 HydrophobicContact CG2-CG2 3.57Å; L226-I230 HydrophobicContact CD1-CD1 4.21Å; L226-I230 HydrophobicContact CG-CD1 3.94Å; L226-I230 VanDerWaalsContact O-CG1 3.28Å; L226-I230 WeakPolarHBondContact O-CG1 3.43Å; L226-I230 PolarHBondContact O-N 3.3Å; F227-I230 PolarHBondContact O-N 3.1Å; I230-I234 HydrophobicContact CB-CD1 4.13Å; I230-I234 HydrophobicContact CG1-CD1 4Å; I230-I234 HydrophobicContact CG2-CD1 4.11Å
231G93.1Very high89.5Confident0 Ų072.1 Ų72.10%035%0.353CS..Iπ-helixtrans-69.9-42.3-176.100000114.1T197 W201 F227 L228 F229 P235T197-G231 WeakPolarHBondContact CG2-O 3.19Å; W201-G231 PolarHBondContact NE1-O 2.96Å; F227-G231 PolarHBondContact O-N 2.97Å; L228-G231 PolarHBondContact O-N 3.06Å; F229-G231 VanDerWaalsContact C-N 3.33Å; F229-G231 PolarHBondContact O-N 3.17Å; G231-P235 WeakPolarHBondContact O-CG 3.25Å
232W94.6Very high90.6Very high60 Ų6062.1 Ų62.123%0.22732%0.315CS..Iπ-helixtrans-104.9-39.1-173.4-67.8110.2000114.3N154 T158 L161 Y193 T197 W201 L228N154-W232 PolarHBondContact OD1-NE1 2.9Å; T158-W232 HydrophobicContact CG2-CH2 3.93Å; T158-W232 HydrophobicContact CG2-CZ2 4.17Å; T158-W232 HydrophobicContact CG2-CZ3 4.48Å; L161-W232 HydrophobicContact CD1-CH2 3.85Å; L161-W232 HydrophobicContact CD1-CZ3 4.31Å; Y193-W232 PolarHBondContact OH-O 3.43Å; T197-W232 HydrophobicContact CG2-CD2 4.22Å; T197-W232 HydrophobicContact CG2-CE3 3.54Å; T197-W232 HydrophobicContact CG2-CH2 4.33Å; T197-W232 HydrophobicContact CG2-CZ3 3.62Å; W201-W232 AromaticContact CE2-CD1 3.91Å; W201-W232 AromaticContact CE2-NE1 3.59Å; W201-W232 AromaticContact CZ2-CD1 3.45Å; W201-W232 VanDerWaalsContact CZ2-CD1 3.45Å; W201-W232 HydrophobicContact CZ2-CG 4.35Å; W201-W232 AromaticContact CZ2-NE1 3.26Å; W201-W232 VanDerWaalsContact CZ2-NE1 3.26Å; W201-W232 AromaticContact NE1-CD1 3.75Å; W201-W232 AromaticContact NE1-CD2 3.72Å; W201-W232 AromaticContact NE1-CE2 3.47Å; W201-W232 AromaticContact NE1-CG 3.88Å; W201-W232 AromaticContact NE1-CZ2 3.98Å; W201-W232 AromaticContact NE1-NE1 3.48Å; L228-W232 PolarHBondContact O-N 3.06Å
233C94.1Very high91.3Very high60 Ų6060.8 Ų60.841%0.40531%0.311SS..Iπ-helixtrans-86.3-30.7-170.2-580000113.3F229 P237F229-C233 HydrophobicContact CD2-CB 3.56Å; F229-C233 HydrophobicContact CE2-CB 3.58Å; F229-C233 HydrophobicContact CG-CB 4.06Å; F229-C233 HydrophobicContact CZ-CB 4.08Å; F229-C233 WeakPolarHBondContact O-CA 3.34Å; F229-C233 VanDerWaalsContact O-CB 3.24Å; F229-C233 WeakPolarHBondContact O-CB 2.92Å; F229-C233 PolarHBondContact O-N 2.9Å; C233-P237 WeakPolarHBondContact O-CD 3.21Å
234I93.7Very high91.8Very high58 Ų5855.1 Ų55.130%0.29730%0.295SS..THydrogen-bonded Turntrans-70-41178.2-60.7-179.6000113F200 F229 I230 F236 P237 I238F200-I234 HydrophobicContact CD1-CB 4.31Å; F200-I234 HydrophobicContact CD1-CG2 4.2Å; F200-I234 HydrophobicContact CE1-CB 4Å; F200-I234 HydrophobicContact CE1-CG2 3.42Å; F200-I234 VanDerWaalsContact CE1-CG2 3.42Å; F200-I234 HydrophobicContact CZ-CG2 3.72Å; F229-I234 HydrophobicContact CE1-CG1 4.36Å; F229-I234 PolarHBondContact O-N 3.05Å; I230-I234 HydrophobicContact CB-CD1 4.13Å; I230-I234 HydrophobicContact CG1-CD1 4Å; I230-I234 HydrophobicContact CG2-CD1 4.11Å; I234-F236 VanDerWaalsContact C-N 3.27Å; I234-F236 PolarHBondContact O-N 3.19Å; I234-P237 VanDerWaalsContact O-CD 3.24Å; I234-P237 WeakPolarHBondContact O-CD 3.41Å; I234-P237 WeakPolarHBondContact O-CG 3.33Å; I234-I238 HydrophobicContact CG2-CD1 4.1Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å
235P95.3Very high92.2Very high0 Ų049.8 Ų49.80%027%0.274CS..Hα-helixtrans-59.7-32.7175.4-29.437000114.8Y193 V196 T197 F200 G231 I238 I239Y193-P235 HydrophobicContact CD2-CB 4.18Å; Y193-P235 HydrophobicContact CE2-CB 3.96Å; V196-P235 HydrophobicContact CB-CB 4.26Å; V196-P235 HydrophobicContact CG1-CB 3.73Å; V196-P235 HydrophobicContact CG1-CG 4.22Å; T197-P235 WeakPolarHBondContact OG1-CB 3.43Å; F200-P235 HydrophobicContact CB-CG 3.94Å; F200-P235 HydrophobicContact CD2-CG 3.83Å; F200-P235 HydrophobicContact CE2-CG 4.47Å; F200-P235 HydrophobicContact CG-CG 3.83Å; G231-P235 WeakPolarHBondContact O-CG 3.25Å; P235-I238 PolarHBondContact O-N 3.24Å; P235-I239 PolarHBondContact O-N 3.35Å; P235-I239 VanDerWaalsContact O-N 3.1Å
236F94.9Very high92.2Very high124 Ų12445.6 Ų45.654%0.54425%0.245SC..Hα-helixtrans-59.2-57.3-174.8-178.8-100.6000113.7Y193 I234 I238 I239 V240Y193-F236 HydrophobicContact CE2-CB 3.94Å; Y193-F236 HydrophobicContact CE2-CD2 4.36Å; I234-F236 VanDerWaalsContact C-N 3.27Å; I234-F236 PolarHBondContact O-N 3.19Å; F236-I238 VanDerWaalsContact C-N 3.27Å; F236-I238 PolarHBondContact O-N 3.34Å; F236-I239 PolarHBondContact O-N 2.98Å; F236-V240 HydrophobicContact CD1-CG2 4.3Å; F236-V240 HydrophobicContact CD2-CG2 4.46Å; F236-V240 HydrophobicContact CE1-CG2 3.95Å; F236-V240 HydrophobicContact CE2-CG2 4.12Å; F236-V240 HydrophobicContact CZ-CG2 3.85Å; F236-V240 WeakPolarHBondContact O-CG2 3.43Å; F236-V240 PolarHBondContact O-N 3.37Å
237P94.8Very high92Very high73 Ų7345 Ų4547%0.47424%0.242SC..Hα-helixtrans-63.5-30.6178.625.8-35.4000113.1C233 I234 V240 A241C233-P237 WeakPolarHBondContact O-CD 3.21Å; I234-P237 VanDerWaalsContact O-CD 3.24Å; I234-P237 WeakPolarHBondContact O-CD 3.41Å; I234-P237 WeakPolarHBondContact O-CG 3.33Å; P237-V240 PolarHBondContact O-N 3.11Å; P237-A241 WeakPolarHBondContact O-CB 3.49Å; P237-A241 PolarHBondContact O-N 2.93Å
238I94.7Very high91.8Very high30 Ų3053.3 Ų53.315%0.15427%0.274CS..Hα-helixtrans-62.5-47.1176.4-63.1170.1000110.1F200 I234 P235 F236 A241 W242 P271F200-I238 HydrophobicContact CE2-CD1 4Å; F200-I238 HydrophobicContact CZ-CD1 3.79Å; I234-I238 HydrophobicContact CG2-CD1 4.1Å; I234-I238 WeakPolarHBondContact O-CG1 3.41Å; P235-I238 PolarHBondContact O-N 3.24Å; F236-I238 VanDerWaalsContact C-N 3.27Å; F236-I238 PolarHBondContact O-N 3.34Å; I238-A241 PolarHBondContact O-N 3.29Å; I238-W242 PolarHBondContact O-N 3.49Å; I238-P271 HydrophobicContact CD1-CB 3.99Å; I238-P271 HydrophobicContact CD1-CG 4.17Å; I238-P271 HydrophobicContact CG2-CG 4.24Å
239I94.1Very high91.2Very high5 Ų558.8 Ų58.83%0.02629%0.292CS..Hα-helixtrans-72.6-35.7179.3-69.5-58.7000112.3T189 N192 V196 P235 F236 A241 W242 A243 Y268T189-I239 HydrophobicContact CG2-CG2 3.65Å; N192-I239 HydrophobicContact CB-CD1 3.89Å; V196-I239 HydrophobicContact CB-CD1 4.49Å; V196-I239 HydrophobicContact CB-CG1 4.43Å; V196-I239 HydrophobicContact CG2-CD1 3.62Å; V196-I239 HydrophobicContact CG2-CG1 4.06Å; P235-I239 PolarHBondContact O-N 3.35Å; P235-I239 VanDerWaalsContact O-N 3.1Å; F236-I239 PolarHBondContact O-N 2.98Å; I239-A241 VanDerWaalsContact C-N 3.31Å; I239-A241 PolarHBondContact O-N 3.06Å; I239-W242 HydrophobicContact CG2-CE3 4.49Å; I239-W242 PolarHBondContact O-N 3.18Å; I239-A243 VanDerWaalsContact O-CB 3.31Å; I239-A243 WeakPolarHBondContact O-CB 3.41Å; I239-A243 PolarHBondContact O-N 3.29Å; I239-Y268 HydrophobicContact CD1-CG 4.21Å
240V93.1Very high90.2Very high58 Ų5856.2 Ų56.235%0.35228%0.281SS..Hα-helixtrans-61.1-43.61731710000110.4F236 P237 W242 A243 I244F236-V240 HydrophobicContact CD1-CG2 4.3Å; F236-V240 HydrophobicContact CD2-CG2 4.46Å; F236-V240 HydrophobicContact CE1-CG2 3.95Å; F236-V240 HydrophobicContact CE2-CG2 4.12Å; F236-V240 HydrophobicContact CZ-CG2 3.85Å; F236-V240 WeakPolarHBondContact O-CG2 3.43Å; F236-V240 PolarHBondContact O-N 3.37Å; P237-V240 PolarHBondContact O-N 3.11Å; V240-W242 PolarHBondContact O-N 3.39Å; V240-A243 PolarHBondContact O-N 2.96Å; V240-I244 HydrophobicContact CG1-CD1 3.78Å; V240-I244 HydrophobicContact CG1-CG1 4.43Å; V240-I244 WeakPolarHBondContact O-CB 2.89Å; V240-I244 WeakPolarHBondContact O-CG1 3.39Å; V240-I244 PolarHBondContact O-N 3.29Å
241A92.9Very high89.4Confident48 Ų4857.9 Ų57.940%0.39729%0.29SS..Hα-helixtrans-62-42.8175.500000112.3P237 I238 I239 I244 G245 I267P237-A241 WeakPolarHBondContact O-CB 3.49Å; P237-A241 PolarHBondContact O-N 2.93Å; I238-A241 PolarHBondContact O-N 3.29Å; I239-A241 VanDerWaalsContact C-N 3.31Å; I239-A241 PolarHBondContact O-N 3.06Å; A241-I244 PolarHBondContact O-N 3.4Å; A241-G245 PolarHBondContact O-N 2.85Å; A241-I267 HydrophobicContact CB-CG2 4.23Å
242W92.2Very high88.2Confident3 Ų366.1 Ų66.11%0.01133%0.329CS..Hα-helixtrans-62.6-45.6174.5170.879.2000112.4T188 N192 I238 I239 V240 I244 G245 K246 W255 D265 I267 Y268T188-W242 HydrophobicContact CG2-CH2 4.41Å; N192-W242 HydrophobicContact CB-CZ3 4.43Å; N192-W242 WeakPolarHBondContact ND2-CH2 3.17Å; I238-W242 PolarHBondContact O-N 3.49Å; I239-W242 HydrophobicContact CG2-CE3 4.49Å; I239-W242 PolarHBondContact O-N 3.18Å; V240-W242 PolarHBondContact O-N 3.39Å; W242-I244 VanDerWaalsContact C-N 3.34Å; W242-I244 PolarHBondContact O-N 2.91Å; W242-G245 WeakPolarHBondContact O-CA 3.23Å; W242-G245 PolarHBondContact O-N 3.21Å; W242-G245 VanDerWaalsContact O-N 3.11Å; W242-K246 HydrophobicContact CD2-CG 4.38Å; W242-K246 HydrophobicContact CH2-CG 4.48Å; W242-K246 HydrophobicContact CZ2-CG 3.81Å; W242-K246 PolarHBondContact O-N 3.48Å; W242-W255 HydrophobicContact CH2-CB 4.07Å; W242-W255 HydrophobicContact CH2-CD2 4.38Å; W242-W255 AromaticContact CH2-CE3 3.79Å; W242-W255 HydrophobicContact CH2-CE3 3.79Å; W242-W255 HydrophobicContact CZ2-CB 4.46Å; W242-W255 AromaticContact CZ3-CE3 3.81Å; W242-W255 HydrophobicContact CZ3-CE3 3.81Å; W242-W255 HydrophobicContact CZ3-CZ3 4.22Å; W242-D265 PolarHBondContact NE1-OD1 2.87Å; W242-I267 HydrophobicContact CB-CB 4.31Å; W242-I267 HydrophobicContact CB-CG2 4.07Å; W242-Y268 HydrophobicContact CB-CD1 4.42Å; W242-Y268 AromaticContact CD1-CD1 3.45Å; W242-Y268 VanDerWaalsContact CD1-CD1 3.45Å; W242-Y268 AromaticContact CD1-CE1 3.92Å; W242-Y268 HydrophobicContact CD2-CD1 4.17Å; W242-Y268 AromaticContact CG-CD1 3.75Å; W242-Y268 HydrophobicContact CG-CD1 3.75Å; W242-Y268 HydrophobicContact CG-CE1 4.43Å; W242-Y268 AromaticContact NE1-CD1 3.63Å; W242-Y268 AromaticContact NE1-CE1 3.58Å
243A90Very high87Confident16 Ų1667.8 Ų67.813%0.13234%0.34CS..Hα-helixtrans-63.4-39.6179.300000111.8T189 I239 V240 L247 W255T189-A243 HydrophobicContact CG2-CB 4.11Å; I239-A243 VanDerWaalsContact O-CB 3.31Å; I239-A243 WeakPolarHBondContact O-CB 3.41Å; I239-A243 PolarHBondContact O-N 3.29Å; V240-A243 PolarHBondContact O-N 2.96Å; A243-L247 WeakPolarHBondContact O-CB 3.43Å; A243-L247 PolarHBondContact O-N 3.2Å; A243-W255 HydrophobicContact CB-CH2 4.06Å; A243-W255 HydrophobicContact CB-CZ3 3.75Å; A243-W255 WeakPolarHBondContact O-CH2 3.22Å
244I90.3Very high86.2Confident86 Ų8665.2 Ų65.244%0.44132%0.322SS..Hα-helixtrans-63.2-44.7172.4-68.3167.4000110.1V240 A241 W242 L247 Y248V240-I244 HydrophobicContact CG1-CD1 3.78Å; V240-I244 HydrophobicContact CG1-CG1 4.43Å; V240-I244 WeakPolarHBondContact O-CB 2.89Å; V240-I244 WeakPolarHBondContact O-CG1 3.39Å; V240-I244 PolarHBondContact O-N 3.29Å; A241-I244 PolarHBondContact O-N 3.4Å; W242-I244 VanDerWaalsContact C-N 3.34Å; W242-I244 PolarHBondContact O-N 2.91Å; I244-L247 PolarHBondContact O-N 3.44Å; I244-Y248 HydrophobicContact CG2-CD2 3.7Å; I244-Y248 HydrophobicContact CG2-CE2 3.54Å; I244-Y248 WeakPolarHBondContact O-CD2 3.4Å; I244-Y248 PolarHBondContact O-N 3.3Å; I244-Y248 VanDerWaalsContact O-N 3.16Å
245G88Confident85.2Confident9 Ų964 Ų649%0.09331%0.314CS..Hα-helixtrans-56.6-52.8175.500000112.4A241 W242 L247 Y248 Y249A241-G245 PolarHBondContact O-N 2.85Å; W242-G245 WeakPolarHBondContact O-CA 3.23Å; W242-G245 PolarHBondContact O-N 3.21Å; W242-G245 VanDerWaalsContact O-N 3.11Å; G245-L247 VanDerWaalsContact C-N 3.29Å; G245-L247 PolarHBondContact O-N 3.03Å; G245-Y248 PolarHBondContact O-N 3.48Å; G245-Y248 VanDerWaalsContact O-N 3.16Å; G245-Y249 VanDerWaalsContact O-CD2 3.25Å; G245-Y249 WeakPolarHBondContact O-CD2 3.36Å; G245-Y249 PolarHBondContact O-N 3.16Å; G245-Y249 VanDerWaalsContact O-N 3.09Å
246K86.1Confident83.8Confident5 Ų568 Ų682%0.02233%0.331CS..Hα-helixtrans-61.2-37177.7-77.6-66.5-172.8-177.20111.9W242 Y248 E250 W255 D262 V264 D265W242-K246 HydrophobicContact CD2-CG 4.38Å; W242-K246 HydrophobicContact CH2-CG 4.48Å; W242-K246 HydrophobicContact CZ2-CG 3.81Å; W242-K246 PolarHBondContact O-N 3.48Å; K246-Y248 VanDerWaalsContact C-N 3.31Å; K246-Y248 PolarHBondContact O-N 2.9Å; K246-E250 HydrophobicContact CD-CB 4.26Å; K246-E250 IonicContact NZ-OE1 3.18Å; K246-E250 PolarHBondContact NZ-OE1 3.45Å; K246-E250 IonicContact NZ-OE2 2.74Å; K246-E250 PolarHBondContact NZ-OE2 2.93Å; K246-E250 CarbonylContact O-C 3.36Å; K246-E250 WeakPolarHBondContact O-CA 3.46Å; K246-E250 PolarHBondContact O-N 3.46Å; K246-W255 HydrophobicContact CB-CD2 3.78Å; K246-W255 VanDerWaalsContact CB-CE2 3.49Å; K246-W255 HydrophobicContact CB-CE3 4.3Å; K246-W255 HydrophobicContact CB-CG 4.15Å; K246-W255 HydrophobicContact CB-CH2 4.32Å; K246-W255 HydrophobicContact CB-CZ2 3.8Å; K246-W255 HydrophobicContact CG-CD2 4.41Å; K246-W255 HydrophobicContact CG-CG 4.43Å; K246-D262 IonicContact NZ-OD2 3.15Å; K246-D262 PolarHBondContact NZ-OD2 3.28Å; K246-V264 HydrophobicContact CD-CB 4.32Å; K246-V264 HydrophobicContact CD-CG1 3.87Å; K246-V264 HydrophobicContact CG-CG1 3.78Å; K246-D265 WeakPolarHBondContact CE-OD1 3.4Å; K246-D265 IonicContact NZ-OD1 3.56Å
247L85.4Confident82.1Confident82 Ų8264.3 Ų64.343%0.42933%0.328SS..Hα-helixtrans-62.2-34.9176.2-172.468.6000113.6A243 I244 G245 N251 W255A243-L247 WeakPolarHBondContact O-CB 3.43Å; A243-L247 PolarHBondContact O-N 3.2Å; I244-L247 PolarHBondContact O-N 3.44Å; G245-L247 VanDerWaalsContact C-N 3.29Å; G245-L247 PolarHBondContact O-N 3.03Å; L247-N251 WeakPolarHBondContact CD1-OD1 3.16Å; L247-W255 HydrophobicContact CB-CH2 4.37Å; L247-W255 HydrophobicContact CB-CZ2 4.03Å; L247-W255 HydrophobicContact CD1-CZ2 4.4Å
248Y84.3Confident80.3Confident185 Ų18567.7 Ų67.773%0.72534%0.336SS*.Hα-helixtrans-84.2-35.6-178.9-80.7-68.3000113.8I244 G245 K246I244-Y248 HydrophobicContact CG2-CD2 3.7Å; I244-Y248 HydrophobicContact CG2-CE2 3.54Å; I244-Y248 WeakPolarHBondContact O-CD2 3.4Å; I244-Y248 PolarHBondContact O-N 3.3Å; I244-Y248 VanDerWaalsContact O-N 3.16Å; G245-Y248 PolarHBondContact O-N 3.48Å; G245-Y248 VanDerWaalsContact O-N 3.16Å; K246-Y248 VanDerWaalsContact C-N 3.31Å; K246-Y248 PolarHBondContact O-N 2.9Å
249Y78.3Confident78.4Confident184 Ų18472.6 Ų72.672%0.72236%0.358SS*.Hα-helixtrans-99.6-29.6-173.3-66.9-73.2000113.6G245 V264G245-Y249 VanDerWaalsContact O-CD2 3.25Å; G245-Y249 WeakPolarHBondContact O-CD2 3.36Å; G245-Y249 PolarHBondContact O-N 3.16Å; G245-Y249 VanDerWaalsContact O-N 3.09Å; Y249-V264 HydrophobicContact CD2-CG2 4.04Å; Y249-V264 HydrophobicContact CG-CG2 4.35Å
250E72Confident76.3Confident61 Ų6178.9 Ų78.929%0.28540%0.399SS..  trans-145.178-169.6-69.3171.5-12200110.9K246 W255K246-E250 HydrophobicContact CD-CB 4.26Å; K246-E250 IonicContact NZ-OE1 3.18Å; K246-E250 PolarHBondContact NZ-OE1 3.45Å; K246-E250 IonicContact NZ-OE2 2.74Å; K246-E250 PolarHBondContact NZ-OE2 2.93Å; K246-E250 CarbonylContact O-C 3.36Å; K246-E250 WeakPolarHBondContact O-CA 3.46Å; K246-E250 PolarHBondContact O-N 3.46Å; E250-W255 PolarHBondContact O-NE1 2.88Å; E250-W255 VanDerWaalsContact O-NE1 3.11Å
251N74.7Confident74.3Confident68 Ų6879.4 Ų79.436%0.36442%0.416SS..  trans-107.415.1-175.4-163.644.7000113.4N180 R185 L247N180-N251 PolarHBondContact ND2-O 3.25Å; R185-N251 PolarHBondContact NH1-OD1 3.49Å; R185-N251 PolarHBondContact NH2-O 3.43Å; R185-N251 PolarHBondContact NH2-OD1 3.29Å; L247-N251 WeakPolarHBondContact CD1-OD1 3.16Å
252E68Low73Confident173 Ų17379.1 Ų79.181%0.80841%0.408SS*.SBendtrans-92.2-30.6-171.4-61.6-165.7165.900113.6N180N180-E252 WeakPolarHBondContact CB-O 3.46Å; N180-E252 VanDerWaalsContact CG-O 3.23Å; N180-E252 VanDerWaalsContact ND2-C 3.28Å; N180-E252 PolarHBondContact ND2-O 3.29Å
253Q71.3Confident72.1Confident96 Ų9686.5 Ų86.545%0.44945%0.447SS..SBendtrans-128.9167.4179.1-67-178-39.300111.1N180N180-Q253 PolarHBondContact OD1-O 2.86Å
254C75.3Confident71.6Confident5 Ų586.5 Ų86.53%0.03445%0.445CS..  trans-60.1141.8167.8-176.60000109.7H177 C184 F256H177-C254 PolarHBondContact CE1-O 2.93Å; H177-C254 PolarHBondContact O-N 3.47Å; C184-C254 HydrophobicContact CB-CB 3.85Å; C184-C254 WeakPolarHBondContact CB-SG 3.19Å; C184-C254 PolarHBondContact O-SG 2.9Å; C184-C254 WeakPolarHBondContact SG-CB 3.41Å; C184-C254 CovalentContact SG-SG 2.03Å; C184-C254 PolarHBondContact SG-SG 3.42Å; C254-F256 PolarHBondContact O-N 3.44Å
255W74.3Confident71.2Confident34 Ų3483 Ų8313%0.12943%0.427CS..SBendtrans-7027.6-175.5-55.5-28000114.7R185 T188 T189 W242 A243 K246 L247 E250R185-W255 HydrophobicContact CB-CD2 4.46Å; R185-W255 HydrophobicContact CB-CE3 4.33Å; R185-W255 HydrophobicContact CB-CZ3 4.46Å; T188-W255 HydrophobicContact CG2-CB 4.07Å; T188-W255 WeakPolarHBondContact CG2-O 3.45Å; T189-W255 VanDerWaalsContact OG1-CZ3 3.28Å; T189-W255 WeakPolarHBondContact OG1-CZ3 3.43Å; W242-W255 HydrophobicContact CH2-CB 4.07Å; W242-W255 HydrophobicContact CH2-CD2 4.38Å; W242-W255 AromaticContact CH2-CE3 3.79Å; W242-W255 HydrophobicContact CH2-CE3 3.79Å; W242-W255 HydrophobicContact CZ2-CB 4.46Å; W242-W255 AromaticContact CZ3-CE3 3.81Å; W242-W255 HydrophobicContact CZ3-CE3 3.81Å; W242-W255 HydrophobicContact CZ3-CZ3 4.22Å; A243-W255 HydrophobicContact CB-CH2 4.06Å; A243-W255 HydrophobicContact CB-CZ3 3.75Å; A243-W255 WeakPolarHBondContact O-CH2 3.22Å; K246-W255 HydrophobicContact CB-CD2 3.78Å; K246-W255 VanDerWaalsContact CB-CE2 3.49Å; K246-W255 HydrophobicContact CB-CE3 4.3Å; K246-W255 HydrophobicContact CB-CG 4.15Å; K246-W255 HydrophobicContact CB-CH2 4.32Å; K246-W255 HydrophobicContact CB-CZ2 3.8Å; K246-W255 HydrophobicContact CG-CD2 4.41Å; K246-W255 HydrophobicContact CG-CG 4.43Å; L247-W255 HydrophobicContact CB-CH2 4.37Å; L247-W255 HydrophobicContact CB-CZ2 4.03Å; L247-W255 HydrophobicContact CD1-CZ2 4.4Å; E250-W255 PolarHBondContact O-NE1 2.88Å; E250-W255 VanDerWaalsContact O-NE1 3.11Å
256F64.8Low71Confident82 Ų8289.7 Ų89.736%0.3645%0.451SS..  trans-103.170.5-175.6-171.1-100.1000111.1L169 H177 C254L169-F256 HydrophobicContact CB-CE2 4.06Å; L169-F256 HydrophobicContact CD1-CD2 4.36Å; L169-F256 HydrophobicContact CD1-CE2 4.02Å; L169-F256 HydrophobicContact CD2-CD2 3.84Å; L169-F256 HydrophobicContact CD2-CE2 4.04Å; L169-F256 HydrophobicContact CG-CE2 4.29Å; H177-F256 VanDerWaalsContact CE1-C 3.48Å; H177-F256 PolarHBondContact CE1-O 2.95Å; H177-F256 PolarHBondContact NE2-O 3.38Å; C254-F256 PolarHBondContact O-N 3.44Å
257G58.8Low71.1Confident47 Ų4792.7 Ų92.749%0.48547%0.466SS..  trans180113178.600000107.3E259G257-E259 PolarHBondContact O-N 2.88Å
258K57.5Low71.3Confident145 Ų14589 Ų8963%0.6345%0.447SS*.  trans-85.491.3174.2-69.9-173.9178.6-174.90106.7P260 Y268K258-P260 WeakPolarHBondContact O-CD 3.3Å; K258-Y268 WeakPolarHBondContact CE-OH 3.37Å
259E54.4Low71.4Confident132 Ų13283 Ų8362%0.61743%0.425SS*.  trans-68.3119.9164.3-63.7-162.5154.300107.5G257 G261G257-E259 PolarHBondContact O-N 2.88Å; E259-G261 PolarHBondContact O-N 3.33Å
260P50.7Low71.9Confident137 Ų13774.9 Ų74.989%0.8940%0.398SS*.THydrogen-bonded Turntrans-67.1105.9-17825.7-31.5000109.2K258K258-P260 WeakPolarHBondContact O-CD 3.3Å
261G51.6Low72.8Confident70 Ų7073.7 Ų73.772%0.72240%0.395SS*.THydrogen-bonded Turntrans142.3-11.4177.400000115.2E259 L263E259-G261 PolarHBondContact O-N 3.33Å; G261-L263 PolarHBondContact O-N 3.15Å; G261-L263 VanDerWaalsContact O-N 3.15Å
262D65.4Low73.6Confident41 Ų4171.1 Ų71.122%0.21938%0.381CS..  trans-70.3114.9-177.6-71-17.8000112.4K246 V264 D265K246-D262 IonicContact NZ-OD2 3.15Å; K246-D262 PolarHBondContact NZ-OD2 3.28Å; D262-V264 PolarHBondContact O-N 3.2Å; D262-V264 VanDerWaalsContact O-N 3.12Å; D262-D265 PolarHBondContact O-N 3.35Å; D262-D265 VanDerWaalsContact O-N 3.14Å
263L73.7Confident74.5Confident159 Ų15964.8 Ų64.883%0.83235%0.353SS*.THydrogen-bonded Turntrans-57.1-26.6173.4-67170.5000112.2G261 Y266G261-L263 PolarHBondContact O-N 3.15Å; G261-L263 VanDerWaalsContact O-N 3.15Å; L263-Y266 WeakPolarHBondContact O-CB 3.32Å; L263-Y266 PolarHBondContact O-N 3.48Å
264V79.6Confident75.4Confident16 Ų1665.2 Ų65.210%0.09736%0.357CS..THydrogen-bonded Turntrans-66.7-38.3180-174.80000111.3K246 Y249 D262 Y266 I267K246-V264 HydrophobicContact CD-CB 4.32Å; K246-V264 HydrophobicContact CD-CG1 3.87Å; K246-V264 HydrophobicContact CG-CG1 3.78Å; Y249-V264 HydrophobicContact CD2-CG2 4.04Å; Y249-V264 HydrophobicContact CG-CG2 4.35Å; D262-V264 PolarHBondContact O-N 3.2Å; D262-V264 VanDerWaalsContact O-N 3.12Å; V264-Y266 PolarHBondContact O-N 2.97Å; V264-I267 HydrophobicContact CG1-CD1 4.11Å; V264-I267 VanDerWaalsContact O-CB 3.31Å; V264-I267 WeakPolarHBondContact O-CB 3.28Å; V264-I267 WeakPolarHBondContact O-CD1 3.44Å; V264-I267 WeakPolarHBondContact O-CG1 3.34Å; V264-I267 PolarHBondContact O-N 3.23Å; V264-I267 VanDerWaalsContact O-N 3.16Å
265D80.7Confident76.2Confident11 Ų1165.4 Ų65.46%0.05936%0.359CS..THydrogen-bonded Turntrans-67.9-23.1-179.6-91.410.9000112.9W242 K246 D262 I267 Y268 Q269W242-D265 PolarHBondContact NE1-OD1 2.87Å; K246-D265 WeakPolarHBondContact CE-OD1 3.4Å; K246-D265 IonicContact NZ-OD1 3.56Å; D262-D265 PolarHBondContact O-N 3.35Å; D262-D265 VanDerWaalsContact O-N 3.14Å; D265-I267 PolarHBondContact O-N 3.06Å; D265-Y268 HydrophobicContact CB-CE1 4.31Å; D265-Y268 WeakPolarHBondContact O-CD1 3.24Å; D265-Y268 WeakPolarHBondContact O-CE1 3.43Å; D265-Y268 PolarHBondContact O-N 2.96Å; D265-Q269 WeakPolarHBondContact O-CB 3.19Å; D265-Q269 VanDerWaalsContact O-CG 3.23Å; D265-Q269 WeakPolarHBondContact O-CG 3.49Å; D265-Q269 PolarHBondContact O-N 2.7Å
266Y84.9Confident76.8Confident151 Ų15164.1 Ų64.159%0.59235%0.354SS*.Hα-helixtrans-63.2-21.3175.3-166.5-104.9000113.1L263 V264 Y268 Q269 G270L263-Y266 WeakPolarHBondContact O-CB 3.32Å; L263-Y266 PolarHBondContact O-N 3.48Å; V264-Y266 PolarHBondContact O-N 2.97Å; Y266-Y268 PolarHBondContact O-N 3.32Å; Y266-Q269 PolarHBondContact O-N 3.21Å; Y266-G270 PolarHBondContact O-N 3.32Å
267I88.2Confident77.9Confident67 Ų6764.5 Ų64.534%0.34436%0.359SS..Hα-helixtrans-57-45.7-179.5-65.1170.8000111.8A241 W242 V264 D265 P271A241-I267 HydrophobicContact CB-CG2 4.23Å; W242-I267 HydrophobicContact CB-CB 4.31Å; W242-I267 HydrophobicContact CB-CG2 4.07Å; V264-I267 HydrophobicContact CG1-CD1 4.11Å; V264-I267 VanDerWaalsContact O-CB 3.31Å; V264-I267 WeakPolarHBondContact O-CB 3.28Å; V264-I267 WeakPolarHBondContact O-CD1 3.44Å; V264-I267 WeakPolarHBondContact O-CG1 3.34Å; V264-I267 PolarHBondContact O-N 3.23Å; V264-I267 VanDerWaalsContact O-N 3.16Å; D265-I267 PolarHBondContact O-N 3.06Å; I267-P271 WeakPolarHBondContact O-CD 3.11Å
268Y88.9Confident79.5Confident5 Ų565 Ų652%0.0235%0.35CS..Hα-helixtrans-95.4-27.7177.479.9-89.5000112.7V196 I239 W242 K258 D265 Y266 P271 I272V196-Y268 HydrophobicContact CG2-CD2 3.89Å; V196-Y268 HydrophobicContact CG2-CG 4.42Å; I239-Y268 HydrophobicContact CD1-CG 4.21Å; W242-Y268 HydrophobicContact CB-CD1 4.42Å; W242-Y268 AromaticContact CD1-CD1 3.45Å; W242-Y268 VanDerWaalsContact CD1-CD1 3.45Å; W242-Y268 AromaticContact CD1-CE1 3.92Å; W242-Y268 HydrophobicContact CD2-CD1 4.17Å; W242-Y268 AromaticContact CG-CD1 3.75Å; W242-Y268 HydrophobicContact CG-CD1 3.75Å; W242-Y268 HydrophobicContact CG-CE1 4.43Å; W242-Y268 AromaticContact NE1-CD1 3.63Å; W242-Y268 AromaticContact NE1-CE1 3.58Å; K258-Y268 WeakPolarHBondContact CE-OH 3.37Å; D265-Y268 HydrophobicContact CB-CE1 4.31Å; D265-Y268 WeakPolarHBondContact O-CD1 3.24Å; D265-Y268 WeakPolarHBondContact O-CE1 3.43Å; D265-Y268 PolarHBondContact O-N 2.96Å; Y266-Y268 PolarHBondContact O-N 3.32Å; Y268-P271 WeakPolarHBondContact O-CD 3.49Å; Y268-I272 HydrophobicContact CD2-CD1 3.69Å; Y268-I272 HydrophobicContact CE2-CD1 4.04Å; Y268-I272 WeakPolarHBondContact O-CG1 3.35Å; Y268-I272 PolarHBondContact O-N 3.34Å
269Q86.9Confident80.9Confident59 Ų5958.1 Ų58.128%0.27632%0.321SS..Hα-helixtrans-66.8-43.3178.3-68.4177.78.600111.8D265 Y266 I272 I273D265-Q269 WeakPolarHBondContact O-CB 3.19Å; D265-Q269 VanDerWaalsContact O-CG 3.23Å; D265-Q269 WeakPolarHBondContact O-CG 3.49Å; D265-Q269 PolarHBondContact O-N 2.7Å; Y266-Q269 PolarHBondContact O-N 3.21Å; Q269-I272 WeakPolarHBondContact O-CA 3.36Å; Q269-I272 WeakPolarHBondContact O-CB 3.44Å; Q269-I272 PolarHBondContact O-N 3.03Å; Q269-I273 HydrophobicContact CB-CD1 4.49Å; Q269-I273 WeakPolarHBondContact O-CG1 3.49Å; Q269-I273 PolarHBondContact O-N 2.93Å
270G88.2Confident82.4Confident14 Ų1456.9 Ų56.914%0.14431%0.313CS..Hα-helixtrans-52.1-52.5179.500000113.6Y266 I272 I273 L274Y266-G270 PolarHBondContact O-N 3.32Å; G270-I272 PolarHBondContact O-N 3.31Å; G270-I273 PolarHBondContact O-N 3.06Å; G270-L274 PolarHBondContact O-N 2.77Å
271P91.7Very high84.2Confident36 Ų3654 Ų5423%0.23429%0.293CS..Hα-helixtrans-58.9-39.7173-2835.7000114.4I238 I267 Y268 I273 L274 V275I238-P271 HydrophobicContact CD1-CB 3.99Å; I238-P271 HydrophobicContact CD1-CG 4.17Å; I238-P271 HydrophobicContact CG2-CG 4.24Å; I267-P271 WeakPolarHBondContact O-CD 3.11Å; Y268-P271 WeakPolarHBondContact O-CD 3.49Å; P271-I273 VanDerWaalsContact C-N 3.34Å; P271-I273 PolarHBondContact O-N 3.3Å; P271-L274 PolarHBondContact O-N 2.92Å; P271-V275 WeakPolarHBondContact O-CB 3.28Å; P271-V275 VanDerWaalsContact O-CG2 3.29Å; P271-V275 WeakPolarHBondContact O-CG2 3.37Å; P271-V275 PolarHBondContact O-N 3.15Å
272I89.7Confident86Confident14 Ų1452.3 Ų52.37%0.07227%0.266CS..Hα-helixtrans-60.1-46.6175.2-71172.1000110.3V196 F199 Y268 Q269 G270 V275 L276V196-I272 HydrophobicContact CG2-CD1 3.89Å; V196-I272 HydrophobicContact CG2-CG1 4.27Å; F199-I272 HydrophobicContact CB-CG1 4.45Å; F199-I272 HydrophobicContact CD1-CG2 3.99Å; F199-I272 HydrophobicContact CD2-CB 4.43Å; F199-I272 HydrophobicContact CD2-CD1 3.75Å; F199-I272 HydrophobicContact CD2-CG1 3.84Å; F199-I272 HydrophobicContact CD2-CG2 3.73Å; F199-I272 HydrophobicContact CE1-CG2 4.07Å; F199-I272 HydrophobicContact CE2-CD1 3.95Å; F199-I272 HydrophobicContact CE2-CG1 4.41Å; F199-I272 HydrophobicContact CE2-CG2 3.79Å; F199-I272 HydrophobicContact CG-CG1 4.29Å; F199-I272 HydrophobicContact CG-CG2 3.84Å; F199-I272 HydrophobicContact CZ-CG2 3.96Å; Y268-I272 HydrophobicContact CD2-CD1 3.69Å; Y268-I272 HydrophobicContact CE2-CD1 4.04Å; Y268-I272 WeakPolarHBondContact O-CG1 3.35Å; Y268-I272 PolarHBondContact O-N 3.34Å; Q269-I272 WeakPolarHBondContact O-CA 3.36Å; Q269-I272 WeakPolarHBondContact O-CB 3.44Å; Q269-I272 PolarHBondContact O-N 3.03Å; G270-I272 PolarHBondContact O-N 3.31Å; I272-V275 PolarHBondContact O-N 3.1Å; I272-L276 HydrophobicContact CG2-CD1 3.78Å; I272-L276 HydrophobicContact CG2-CG 4.3Å; I272-L276 WeakPolarHBondContact O-CB 3.24Å; I272-L276 WeakPolarHBondContact O-CG 3.41Å; I272-L276 PolarHBondContact O-N 3.03Å
273I87.5Confident87Confident40 Ų4051 Ų5121%0.20526%0.259CS..Hα-helixtrans-61-48.9-179-65.6170.2000110.2Q269 G270 P271 V275 L276 L277 F327Q269-I273 HydrophobicContact CB-CD1 4.49Å; Q269-I273 WeakPolarHBondContact O-CG1 3.49Å; Q269-I273 PolarHBondContact O-N 2.93Å; G270-I273 PolarHBondContact O-N 3.06Å; P271-I273 VanDerWaalsContact C-N 3.34Å; P271-I273 PolarHBondContact O-N 3.3Å; I273-V275 VanDerWaalsContact C-N 3.31Å; I273-V275 PolarHBondContact O-N 3.28Å; I273-L276 PolarHBondContact O-N 2.89Å; I273-L277 HydrophobicContact CG2-CD1 4.1Å; I273-L277 HydrophobicContact CG2-CG 4.45Å; I273-L277 WeakPolarHBondContact O-CG 3.39Å; I273-L277 PolarHBondContact O-N 3.47Å; I273-F327 HydrophobicContact CB-CZ 4.03Å; I273-F327 HydrophobicContact CD1-CE1 4.2Å; I273-F327 HydrophobicContact CD1-CZ 3.67Å; I273-F327 HydrophobicContact CG1-CE2 4.25Å; I273-F327 HydrophobicContact CG1-CZ 3.56Å; I273-F327 HydrophobicContact CG2-CE1 4.26Å; I273-F327 HydrophobicContact CG2-CE2 4.06Å; I273-F327 HydrophobicContact CG2-CZ 3.4Å
274L90.8Very high87.5Confident104 Ų10449.9 Ų49.955%0.54525%0.248SC..Hα-helixtrans-56.6-46.9177177.463000111.4G270 P271 L276 L277 I278G270-L274 PolarHBondContact O-N 2.77Å; P271-L274 PolarHBondContact O-N 2.92Å; L274-L276 PolarHBondContact O-N 3.39Å; L274-L277 PolarHBondContact O-N 3Å; L274-I278 HydrophobicContact CD1-CD1 4.14Å; L274-I278 HydrophobicContact CG-CD1 4.08Å; L274-I278 VanDerWaalsContact O-CG1 3.32Å; L274-I278 WeakPolarHBondContact O-CG1 3.47Å; L274-I278 PolarHBondContact O-N 3.5Å
275V91.3Very high87.9Confident10 Ų1051.7 Ų51.76%0.06126%0.256CS..Hα-helixtrans-60.3-45178.2161.80000111.6F200 F203 P271 I272 I273 I278 N279F200-V275 HydrophobicContact CE1-CG2 4.3Å; F200-V275 HydrophobicContact CE2-CG2 4.41Å; F200-V275 HydrophobicContact CZ-CG2 4.18Å; F203-V275 HydrophobicContact CB-CG1 3.48Å; F203-V275 VanDerWaalsContact CB-CG1 3.48Å; F203-V275 HydrophobicContact CD2-CG1 4.25Å; F203-V275 HydrophobicContact CG-CG1 4.01Å; P271-V275 WeakPolarHBondContact O-CB 3.28Å; P271-V275 VanDerWaalsContact O-CG2 3.29Å; P271-V275 WeakPolarHBondContact O-CG2 3.37Å; P271-V275 PolarHBondContact O-N 3.15Å; I272-V275 PolarHBondContact O-N 3.1Å; I273-V275 VanDerWaalsContact C-N 3.31Å; I273-V275 PolarHBondContact O-N 3.28Å; V275-I278 PolarHBondContact O-N 3.24Å; V275-N279 PolarHBondContact O-N 3.44Å
276L87.9Confident88.2Confident7 Ų751.3 Ų51.34%0.03725%0.254CS..Hα-helixtrans-65.5-39.5178.8-73.5170.9000112.2F199 I272 I273 L274 N279 F280 G320 M324F199-L276 HydrophobicContact CD1-CD1 4.26Å; F199-L276 HydrophobicContact CD1-CD2 3.79Å; F199-L276 HydrophobicContact CD1-CG 4.03Å; F199-L276 HydrophobicContact CE1-CD1 3.88Å; F199-L276 HydrophobicContact CE1-CD2 3.8Å; F199-L276 HydrophobicContact CE1-CG 4.09Å; I272-L276 HydrophobicContact CG2-CD1 3.78Å; I272-L276 HydrophobicContact CG2-CG 4.3Å; I272-L276 WeakPolarHBondContact O-CB 3.24Å; I272-L276 WeakPolarHBondContact O-CG 3.41Å; I272-L276 PolarHBondContact O-N 3.03Å; I273-L276 PolarHBondContact O-N 2.89Å; L274-L276 PolarHBondContact O-N 3.39Å; L276-N279 PolarHBondContact O-N 3Å; L276-F280 PolarHBondContact O-N 3.48Å; L276-G320 WeakPolarHBondContact CD2-O 3.49Å; L276-M324 HydrophobicContact CB-CE 3.14Å; L276-M324 HydrophobicContact CD1-CE 4.09Å; L276-M324 HydrophobicContact CG-CE 4.24Å
277L88Confident88.1Confident89 Ų8945.3 Ų45.347%0.46623%0.233SC..Hα-helixtrans-62-43.6175.6-72.1173.6000111.4I273 L274 N279 F280 V281 M324I273-L277 HydrophobicContact CG2-CD1 4.1Å; I273-L277 HydrophobicContact CG2-CG 4.45Å; I273-L277 WeakPolarHBondContact O-CG 3.39Å; I273-L277 PolarHBondContact O-N 3.47Å; L274-L277 PolarHBondContact O-N 3Å; L277-N279 VanDerWaalsContact C-N 3.35Å; L277-N279 PolarHBondContact O-N 3.4Å; L277-F280 WeakPolarHBondContact O-CB 3.45Å; L277-F280 PolarHBondContact O-N 2.9Å; L277-V281 PolarHBondContact O-N 3.32Å; L277-V281 VanDerWaalsContact O-N 3.14Å; L277-M324 HydrophobicContact CD2-CE 3.92Å; L277-M324 HydrophobicContact CD2-SD 4.13Å; L277-M324 HydrophobicContact CG-CE 3.98Å
278I91Very high88.1Confident58 Ų5850 Ų5030%0.29725%0.247SC..Hα-helixtrans-64.1-41.8176.5-63164.6000110.8F203 L274 V275 F280 V281 F282F203-I278 HydrophobicContact CD2-CG2 4.43Å; F203-I278 HydrophobicContact CE2-CB 4.33Å; F203-I278 HydrophobicContact CE2-CG2 3.76Å; L274-I278 HydrophobicContact CD1-CD1 4.14Å; L274-I278 HydrophobicContact CG-CD1 4.08Å; L274-I278 VanDerWaalsContact O-CG1 3.32Å; L274-I278 WeakPolarHBondContact O-CG1 3.47Å; L274-I278 PolarHBondContact O-N 3.5Å; V275-I278 PolarHBondContact O-N 3.24Å; I278-F280 VanDerWaalsContact C-N 3.29Å; I278-F280 PolarHBondContact O-N 3.31Å; I278-V281 PolarHBondContact O-N 2.9Å; I278-F282 HydrophobicContact CG2-CD1 4.49Å; I278-F282 HydrophobicContact CG2-CD2 4.05Å; I278-F282 HydrophobicContact CG2-CE1 4Å; I278-F282 HydrophobicContact CG2-CE2 3.52Å; I278-F282 HydrophobicContact CG2-CZ 3.48Å; I278-F282 VanDerWaalsContact CG2-CZ 3.48Å; I278-F282 WeakPolarHBondContact O-CG 3.45Å; I278-F282 PolarHBondContact O-N 3.45Å
279N88.7Confident88Confident1 Ų152.2 Ų52.21%0.00526%0.258CS..Hα-helixtrans-60.6-37175.3-82.7-17.3000112.8F203 V275 L276 L277 F282 L283 L319F203-N279 WeakPolarHBondContact CA-OD1 3.39Å; V275-N279 PolarHBondContact O-N 3.44Å; L276-N279 PolarHBondContact O-N 3Å; L277-N279 VanDerWaalsContact C-N 3.35Å; L277-N279 PolarHBondContact O-N 3.4Å; N279-F282 PolarHBondContact O-N 3.28Å; N279-L283 PolarHBondContact O-N 2.97Å; N279-L319 HydrophobicContact CB-CB 4.34Å; N279-L319 HydrophobicContact CB-CD2 4.3Å
280F85Confident87.8Confident105 Ų10552 Ų5246%0.46126%0.259SS..Hα-helixtrans-63.7-43.2174.5-176-98.7000112L276 L277 I278 F282 L283 F284 I321L276-F280 PolarHBondContact O-N 3.48Å; L277-F280 WeakPolarHBondContact O-CB 3.45Å; L277-F280 PolarHBondContact O-N 2.9Å; I278-F280 VanDerWaalsContact C-N 3.29Å; I278-F280 PolarHBondContact O-N 3.31Å; F280-F282 VanDerWaalsContact C-N 3.35Å; F280-F282 PolarHBondContact O-N 3.1Å; F280-L283 WeakPolarHBondContact O-CB 3.44Å; F280-L283 PolarHBondContact O-N 3.38Å; F280-F284 PolarHBondContact O-N 3.34Å; F280-I321 HydrophobicContact CD2-CD1 4.09Å; F280-I321 HydrophobicContact CD2-CG1 4.36Å
281V88.9Confident87.3Confident78 Ų7854 Ų5447%0.47327%0.265SS..Hα-helixtrans-61.5-43.8174.1175.90000111L277 I278 L283 F284 N285L277-V281 PolarHBondContact O-N 3.32Å; L277-V281 VanDerWaalsContact O-N 3.14Å; I278-V281 PolarHBondContact O-N 2.9Å; V281-L283 PolarHBondContact O-N 2.9Å; V281-F284 PolarHBondContact O-N 3.29Å; V281-N285 PolarHBondContact O-N 3.08Å
282F89.6Confident86.9Confident33 Ų3356.5 Ų56.515%0.14528%0.28CS..Hα-helixtrans-60.9-42.8174.5-67.6-21.6000112.1F203 C207 H210 I278 N279 F280 F284 N285 I286F203-F282 HydrophobicContact CD2-CE2 4.32Å; F203-F282 AromaticContact CE2-CE2 3.79Å; F203-F282 HydrophobicContact CE2-CE2 3.79Å; F203-F282 HydrophobicContact CE2-CZ 4.45Å; C207-F282 HydrophobicContact CB-CE2 3.92Å; H210-F282 HydrophobicContact CB-CB 4.33Å; H210-F282 HydrophobicContact CB-CD1 4.19Å; H210-F282 HydrophobicContact CB-CG 4.14Å; H210-F282 AromaticContact CD2-CD1 3.83Å; H210-F282 AromaticContact CG-CD1 3.79Å; I278-F282 HydrophobicContact CG2-CD1 4.49Å; I278-F282 HydrophobicContact CG2-CD2 4.05Å; I278-F282 HydrophobicContact CG2-CE1 4Å; I278-F282 HydrophobicContact CG2-CE2 3.52Å; I278-F282 HydrophobicContact CG2-CZ 3.48Å; I278-F282 VanDerWaalsContact CG2-CZ 3.48Å; I278-F282 WeakPolarHBondContact O-CG 3.45Å; I278-F282 PolarHBondContact O-N 3.45Å; N279-F282 PolarHBondContact O-N 3.28Å; F280-F282 VanDerWaalsContact C-N 3.35Å; F280-F282 PolarHBondContact O-N 3.1Å; F282-F284 PolarHBondContact O-N 2.91Å; F282-N285 PolarHBondContact O-N 3.41Å; F282-I286 HydrophobicContact CB-CD1 4.49Å; F282-I286 WeakPolarHBondContact O-CB 3.5Å; F282-I286 WeakPolarHBondContact O-CD1 3.37Å; F282-I286 WeakPolarHBondContact O-CG1 3.4Å; F282-I286 PolarHBondContact O-N 3.32Å
283L84.9Confident86.5Confident13 Ų1361.9 Ų61.97%0.06830%0.303CS..Hα-helixtrans-56.4-52.7176-178.157.9000110.8N279 F280 V281 N285 I286 V287 L315 L319 I321N279-L283 PolarHBondContact O-N 2.97Å; F280-L283 WeakPolarHBondContact O-CB 3.44Å; F280-L283 PolarHBondContact O-N 3.38Å; V281-L283 PolarHBondContact O-N 2.9Å; L283-N285 VanDerWaalsContact C-N 3.3Å; L283-N285 PolarHBondContact O-N 3.28Å; L283-I286 PolarHBondContact O-N 2.92Å; L283-V287 HydrophobicContact CD1-CG2 3.66Å; L283-V287 HydrophobicContact CG-CG2 4.07Å; L283-V287 WeakPolarHBondContact O-CB 3.22Å; L283-V287 VanDerWaalsContact O-CG2 3.31Å; L283-V287 WeakPolarHBondContact O-CG2 3.39Å; L283-V287 PolarHBondContact O-N 2.03Å; L283-L315 HydrophobicContact CD1-CB 3.68Å; L283-L315 HydrophobicContact CD1-CD1 4.1Å; L283-L315 HydrophobicContact CD1-CG 4.41Å; L283-L319 HydrophobicContact CB-CD1 3.42Å; L283-L319 VanDerWaalsContact CB-CD1 3.42Å; L283-L319 HydrophobicContact CD1-CD1 3.64Å; L283-L319 HydrophobicContact CD2-CD1 4.36Å; L283-L319 HydrophobicContact CG-CD1 3.95Å; L283-I321 HydrophobicContact CD2-CD1 3.14Å; L283-I321 HydrophobicContact CG-CD1 4.47Å
284F84.6Confident85.8Confident137 Ų13761.5 Ų61.560%0.60130%0.301SS*.Hα-helixtrans-59.1-44.2-176.2-176.8-98.7000111.2F280 V281 F282 V287 R288F280-F284 PolarHBondContact O-N 3.34Å; V281-F284 PolarHBondContact O-N 3.29Å; F282-F284 PolarHBondContact O-N 2.91Å; F284-V287 PolarHBondContact O-N 3.49Å; F284-R288 WeakPolarHBondContact O-CB 3.49Å; F284-R288 PolarHBondContact O-N 3.44Å
285N89.1Confident85Confident53 Ų5366 Ų6628%0.28331%0.311SS..Hα-helixtrans-62.7-45.6175.7-73.4-19.4000112.5V281 F282 L283 R288 I289V281-N285 PolarHBondContact O-N 3.08Å; F282-N285 PolarHBondContact O-N 3.41Å; L283-N285 VanDerWaalsContact C-N 3.3Å; L283-N285 PolarHBondContact O-N 3.28Å; N285-R288 PolarHBondContact O-N 3.48Å; N285-I289 VanDerWaalsContact O-CG1 3.3Å; N285-I289 WeakPolarHBondContact O-CG1 3.29Å; N285-I289 PolarHBondContact O-N 3.48Å
286I87.5Confident84.5Confident3 Ų369.6 Ų69.62%0.01534%0.342CS..Hα-helixtrans-61.8-47.7178.4-71.6164000110.5L209 H210 I213 F282 L283 I289 L290 L315L209-I286 HydrophobicContact CB-CD1 4.23Å; L209-I286 HydrophobicContact CD2-CD1 3.87Å; L209-I286 HydrophobicContact CD2-CG2 4.49Å; L209-I286 HydrophobicContact CG-CD1 3.85Å; H210-I286 HydrophobicContact CB-CD1 4.11Å; H210-I286 HydrophobicContact CB-CG1 4.35Å; I213-I286 HydrophobicContact CD1-CB 4.46Å; I213-I286 HydrophobicContact CD1-CG1 4.16Å; I213-I286 HydrophobicContact CD1-CG2 3.74Å; F282-I286 HydrophobicContact CB-CD1 4.49Å; F282-I286 WeakPolarHBondContact O-CB 3.5Å; F282-I286 WeakPolarHBondContact O-CD1 3.37Å; F282-I286 WeakPolarHBondContact O-CG1 3.4Å; F282-I286 PolarHBondContact O-N 3.32Å; L283-I286 PolarHBondContact O-N 2.92Å; I286-I289 PolarHBondContact O-N 2.64Å; I286-L290 VanDerWaalsContact O-CB 3.26Å; I286-L290 WeakPolarHBondContact O-CB 3.4Å; I286-L290 PolarHBondContact O-N 2.71Å; I286-L315 HydrophobicContact CG2-CD1 4.3Å
287V82.9Confident83.7Confident25 Ų2571.2 Ų71.215%0.15235%0.354CS..Hα-helixtrans-61.7-45.9178.3172.10000109.9L283 F284 I289 L290 M291 T312 L315L283-V287 HydrophobicContact CD1-CG2 3.66Å; L283-V287 HydrophobicContact CG-CG2 4.07Å; L283-V287 WeakPolarHBondContact O-CB 3.22Å; L283-V287 VanDerWaalsContact O-CG2 3.31Å; L283-V287 WeakPolarHBondContact O-CG2 3.39Å; L283-V287 PolarHBondContact O-N 2.03Å; F284-V287 PolarHBondContact O-N 3.49Å; V287-I289 PolarHBondContact O-N 2.99Å; V287-L290 PolarHBondContact O-N 3.42Å; V287-M291 HydrophobicContact CG1-CE 3.83Å; V287-M291 HydrophobicContact CG1-CG 4.04Å; V287-M291 WeakPolarHBondContact O-CB 3.42Å; V287-M291 WeakPolarHBondContact O-CG 3.23Å; V287-M291 PolarHBondContact O-N 2.99Å; V287-T312 HydrophobicContact CG2-CG2 4.39Å; V287-L315 HydrophobicContact CG2-CD1 4.49Å
288R86.4Confident82.6Confident167 Ų16774.4 Ų74.463%0.6338%0.377SS*.Hα-helixtrans-55.4-51.2175.9-178.1-172.9177-154.60.2111.5F284 N285 L290 M291 T292F284-R288 WeakPolarHBondContact O-CB 3.49Å; F284-R288 PolarHBondContact O-N 3.44Å; N285-R288 PolarHBondContact O-N 3.48Å; R288-L290 PolarHBondContact O-N 2.91Å; R288-M291 PolarHBondContact O-N 3.24Å; R288-T292 PolarHBondContact O-N 3Å; R288-T292 PolarHBondContact O-OG1 2.8Å
289I87.1Confident81.6Confident50 Ų5073.7 Ų73.726%0.25638%0.376SS..Hα-helixtrans-63.8-42.2-179.5-65.2165.7000110.9I213 V214 N285 I286 V287 T292 K293I213-I289 HydrophobicContact CG2-CB 4.1Å; I213-I289 HydrophobicContact CG2-CD1 3.99Å; I213-I289 HydrophobicContact CG2-CG2 3.56Å; V214-I289 HydrophobicContact CG2-CD1 3.74Å; N285-I289 VanDerWaalsContact O-CG1 3.3Å; N285-I289 WeakPolarHBondContact O-CG1 3.29Å; N285-I289 PolarHBondContact O-N 3.48Å; I286-I289 PolarHBondContact O-N 2.64Å; V287-I289 PolarHBondContact O-N 2.99Å; I289-T292 PolarHBondContact O-N 3.48Å; I289-K293 HydrophobicContact CG2-CD 4.29Å; I289-K293 WeakPolarHBondContact O-CG 3.11Å; I289-K293 PolarHBondContact O-N 2.89Å
290L82.3Confident80.6Confident56 Ų5676.5 Ų76.529%0.29340%0.395SS..Hα-helixtrans-62.6-45.1178.1-178.763.8000111.4I286 V287 R288 K293 L294 A311I286-L290 VanDerWaalsContact O-CB 3.26Å; I286-L290 WeakPolarHBondContact O-CB 3.4Å; I286-L290 PolarHBondContact O-N 2.71Å; V287-L290 PolarHBondContact O-N 3.42Å; R288-L290 PolarHBondContact O-N 2.91Å; L290-K293 PolarHBondContact O-N 2.93Å; L290-L294 HydrophobicContact CD1-CD1 4.3Å; L290-L294 HydrophobicContact CD1-CG 4.36Å; L290-L294 HydrophobicContact CG-CD1 3.99Å; L290-L294 HydrophobicContact CG-CG 4.46Å; L290-L294 WeakPolarHBondContact O-CB 3.38Å; L290-L294 VanDerWaalsContact O-CG 3.28Å; L290-L294 WeakPolarHBondContact O-CG 3.32Å; L290-L294 PolarHBondContact O-N 3.24Å; L290-A311 HydrophobicContact CD2-CB 3.66Å
291M77.9Confident79.7Confident54 Ų5479.5 Ų79.527%0.26641%0.41SS..Hα-helixtrans-61.3-44.1176.6-67.9-71.3-179.400111.3V287 R288 K293 L294 R295 A308V287-M291 HydrophobicContact CG1-CE 3.83Å; V287-M291 HydrophobicContact CG1-CG 4.04Å; V287-M291 WeakPolarHBondContact O-CB 3.42Å; V287-M291 WeakPolarHBondContact O-CG 3.23Å; V287-M291 PolarHBondContact O-N 2.99Å; R288-M291 PolarHBondContact O-N 3.24Å; M291-K293 PolarHBondContact O-N 3.03Å; M291-L294 PolarHBondContact O-N 3.18Å; M291-R295 WeakPolarHBondContact O-CG 3.5Å; M291-R295 PolarHBondContact O-N 3.44Å; M291-A308 HydrophobicContact CE-CB 3.43Å; M291-A308 VanDerWaalsContact CE-CB 3.43Å; M291-A308 HydrophobicContact SD-CB 3.38Å; M291-A308 WeakPolarHBondContact SD-CB 3.47Å
292T83.8Confident78.6Confident90 Ų9080.6 Ų80.655%0.55242%0.417SS*.Hα-helixtrans-61.7-43.9176.2-57.20000111.8R288 I289 R295 A296R288-T292 PolarHBondContact O-N 3Å; R288-T292 PolarHBondContact O-OG1 2.8Å; I289-T292 PolarHBondContact O-N 3.48Å; T292-R295 PolarHBondContact O-N 3.24Å; T292-A296 PolarHBondContact O-N 3.37Å; T292-A296 VanDerWaalsContact O-N 3.17Å
293K81.5Confident77.8Confident126 Ų12682.9 Ų82.955%0.54843%0.431SS..Hα-helixtrans-66.6-37.3176.8-73.8-176.4178.5179.30112.6I289 L290 M291 A296 S297I289-K293 HydrophobicContact CG2-CD 4.29Å; I289-K293 WeakPolarHBondContact O-CG 3.11Å; I289-K293 PolarHBondContact O-N 2.89Å; L290-K293 PolarHBondContact O-N 2.93Å; M291-K293 PolarHBondContact O-N 3.03Å; K293-A296 PolarHBondContact O-N 3.5Å; K293-S297 PolarHBondContact O-N 3.16Å
294L72.4Confident76.8Confident33 Ų3383.4 Ų83.417%0.17343%0.433CS..Hα-helixtrans-66.2-40.6176.1-74.6171.3000111.5L290 M291 A296 S297 Q304 A308L290-L294 HydrophobicContact CD1-CD1 4.3Å; L290-L294 HydrophobicContact CD1-CG 4.36Å; L290-L294 HydrophobicContact CG-CD1 3.99Å; L290-L294 HydrophobicContact CG-CG 4.46Å; L290-L294 WeakPolarHBondContact O-CB 3.38Å; L290-L294 VanDerWaalsContact O-CG 3.28Å; L290-L294 WeakPolarHBondContact O-CG 3.32Å; L290-L294 PolarHBondContact O-N 3.24Å; M291-L294 PolarHBondContact O-N 3.18Å; L294-A296 VanDerWaalsContact C-N 3.31Å; L294-A296 PolarHBondContact O-N 3.18Å; L294-S297 WeakPolarHBondContact O-CB 3.24Å; L294-S297 PolarHBondContact O-N 3.26Å; L294-S297 VanDerWaalsContact O-N 3.08Å; L294-S297 PolarHBondContact O-OG 2.61Å; L294-Q304 PolarHBondContact O-NE2 3.26Å; L294-Q304 PolarHBondContact O-OE1 2.81Å; L294-A308 HydrophobicContact CD1-CB 3.81Å
295R75.1Confident75.9Confident198 Ų19884.7 Ų84.775%0.74744%0.435SS*.Hα-helixtrans-62.5-34.7174.9-73.3177.9-174-165.81.5113.3M291 T292 S297 Q304M291-R295 WeakPolarHBondContact O-CG 3.5Å; M291-R295 PolarHBondContact O-N 3.44Å; T292-R295 PolarHBondContact O-N 3.24Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.36Å; R295-Q304 VanDerWaalsContact CA-OE1 3.29Å
296A79.5Confident75.2Confident86 Ų8691.5 Ų91.571%0.71146%0.456SS*.Hα-helixtrans-71.4-19.9175.200000113.2T292 K293 L294T292-A296 PolarHBondContact O-N 3.37Å; T292-A296 VanDerWaalsContact O-N 3.17Å; K293-A296 PolarHBondContact O-N 3.5Å; L294-A296 VanDerWaalsContact C-N 3.31Å; L294-A296 PolarHBondContact O-N 3.18Å
297S71.3Confident74.6Confident41 Ų4196.6 Ų96.629%0.28748%0.478SS..SBendtrans-77.9134.6173.2800000109.9K293 L294 R295 T299 Q304K293-S297 PolarHBondContact O-N 3.16Å; L294-S297 WeakPolarHBondContact O-CB 3.24Å; L294-S297 PolarHBondContact O-N 3.26Å; L294-S297 VanDerWaalsContact O-N 3.08Å; L294-S297 PolarHBondContact O-OG 2.61Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.36Å; S297-T299 PolarHBondContact O-N 2.93Å; S297-T299 PolarHBondContact OG-OG1 3.09Å; S297-Q304 PolarHBondContact O-NE2 2.72Å
298T66.1Low74Confident156 Ų15695.4 Ų95.496%0.95747%0.471SS*.  trans-70.925.3179.852.30000114.2
299T69.5Low73.2Confident43 Ų4389.9 Ų89.926%0.26446%0.456SS..SBendtrans-75.3148.3176.3-56.60000109.3S297 I303 Q304S297-T299 PolarHBondContact O-N 2.93Å; S297-T299 PolarHBondContact OG-OG1 3.09Å; T299-I303 HydrophobicContact CG2-CB 3.64Å; T299-I303 HydrophobicContact CG2-CG2 3.43Å; T299-I303 VanDerWaalsContact CG2-CG2 3.43Å; T299-Q304 HydrophobicContact CG2-CG 4.1Å; T299-Q304 PolarHBondContact O-NE2 3.25Å
300S66.4Low72.7Confident59 Ų5994.2 Ų94.241%0.41347%0.473SS..  trans-57.3142.7175.562.50000112T302 I303 Q304S300-T302 PolarHBondContact O-N 3.32Å; S300-T302 VanDerWaalsContact O-N 3.13Å; S300-I303 PolarHBondContact O-N 3.09Å; S300-I303 WeakPolarHBondContact OG-CB 3.45Å; S300-I303 VanDerWaalsContact OG-CD1 3.26Å; S300-I303 WeakPolarHBondContact OG-CD1 3.48Å; S300-I303 VanDerWaalsContact OG-CG1 3.22Å; S300-I303 WeakPolarHBondContact OG-CG1 3.17Å; S300-Q304 WeakPolarHBondContact O-CG 3.36Å; S300-Q304 PolarHBondContact O-N 3.42Å
301E67.2Low72.1Confident168 Ų16892.8 Ų92.879%0.78547%0.47SS*.Hα-helixtrans-53.9-37.5-175.8-64.5-171.2116.700112.6Q304 Y305E301-Q304 PolarHBondContact O-N 3.04Å; E301-Y305 WeakPolarHBondContact O-CB 3.45Å; E301-Y305 PolarHBondContact O-N 3.35Å
302T65Low71.8Confident101 Ų10192 Ų9262%0.6247%0.468SS*.Hα-helixtrans-67.1-39.317854.90000112.9S300 R306S300-T302 PolarHBondContact O-N 3.32Å; S300-T302 VanDerWaalsContact O-N 3.13Å; T302-R306 WeakPolarHBondContact O-CB 3.42Å; T302-R306 WeakPolarHBondContact O-CG 2.95Å; T302-R306 PolarHBondContact O-N 3.48Å; T302-R306 VanDerWaalsContact O-N 3.09Å
303I73.2Confident71.1Confident82 Ų8292.8 Ų92.842%0.42147%0.468SS..Hα-helixtrans-72.7-37.5175.9-65.2173.8000110T299 S300 K307T299-I303 HydrophobicContact CG2-CB 3.64Å; T299-I303 HydrophobicContact CG2-CG2 3.43Å; T299-I303 VanDerWaalsContact CG2-CG2 3.43Å; S300-I303 PolarHBondContact O-N 3.09Å; S300-I303 WeakPolarHBondContact OG-CB 3.45Å; S300-I303 VanDerWaalsContact OG-CD1 3.26Å; S300-I303 WeakPolarHBondContact OG-CD1 3.48Å; S300-I303 VanDerWaalsContact OG-CG1 3.22Å; S300-I303 WeakPolarHBondContact OG-CG1 3.17Å; I303-K307 HydrophobicContact CG2-CD 4.2Å; I303-K307 WeakPolarHBondContact O-CB 3.41Å; I303-K307 VanDerWaalsContact O-CG 3.31Å; I303-K307 WeakPolarHBondContact O-CG 3.44Å; I303-K307 PolarHBondContact O-N 2.93Å
304Q64.2Low70.5Confident24 Ų2488.2 Ų88.211%0.11245%0.451CS..Hα-helixtrans-60.4-50.3174.1-66.9-175.922.200111.2L294 R295 S297 T299 S300 E301 R306 K307 A308L294-Q304 PolarHBondContact O-NE2 3.26Å; L294-Q304 PolarHBondContact O-OE1 2.81Å; R295-Q304 VanDerWaalsContact CA-OE1 3.29Å; S297-Q304 PolarHBondContact O-NE2 2.72Å; T299-Q304 HydrophobicContact CG2-CG 4.1Å; T299-Q304 PolarHBondContact O-NE2 3.25Å; S300-Q304 WeakPolarHBondContact O-CG 3.36Å; S300-Q304 PolarHBondContact O-N 3.42Å; E301-Q304 PolarHBondContact O-N 3.04Å; Q304-R306 PolarHBondContact O-N 3.47Å; Q304-K307 PolarHBondContact O-N 3.25Å; Q304-A308 VanDerWaalsContact O-CB 3.29Å; Q304-A308 WeakPolarHBondContact O-CB 3.18Å; Q304-A308 PolarHBondContact O-N 2.73Å
305Y65.7Low70.3Confident164 Ų16487.6 Ų87.664%0.64345%0.447SS*.Hα-helixtrans-60.1-44.4179.6-173.8-97000111.5E301 K307 A308 V309E301-Y305 WeakPolarHBondContact O-CB 3.45Å; E301-Y305 PolarHBondContact O-N 3.35Å; Y305-K307 PolarHBondContact O-N 3.21Å; Y305-A308 WeakPolarHBondContact O-CB 3.35Å; Y305-A308 PolarHBondContact O-N 3.42Å; Y305-V309 HydrophobicContact CD1-CG2 3.89Å; Y305-V309 HydrophobicContact CE1-CG2 3.48Å; Y305-V309 VanDerWaalsContact CE1-CG2 3.48Å; Y305-V309 HydrophobicContact CE2-CG2 4.15Å; Y305-V309 HydrophobicContact CG-CG2 4.38Å; Y305-V309 WeakPolarHBondContact O-CB 3.47Å; Y305-V309 WeakPolarHBondContact O-CG2 3.34Å; Y305-V309 PolarHBondContact O-N 3.03Å
306R74.9Confident70.1Confident196 Ų19681.5 Ų81.574%0.7443%0.429SS*.Hα-helixtrans-61.5-41.9175.5-77177.8131.6-170.4-2.1112.9T302 Q304 K310T302-R306 WeakPolarHBondContact O-CB 3.42Å; T302-R306 WeakPolarHBondContact O-CG 2.95Å; T302-R306 PolarHBondContact O-N 3.48Å; T302-R306 VanDerWaalsContact O-N 3.09Å; Q304-R306 PolarHBondContact O-N 3.47Å; R306-K310 VanDerWaalsContact O-CB 3.24Å; R306-K310 WeakPolarHBondContact O-CB 3.09Å; R306-K310 PolarHBondContact O-N 2.95Å
307K74.8Confident69.3Low109 Ų10978 Ų7847%0.47440%0.399SS..Hα-helixtrans-64.2-42.8176.1-75.6175.3179.9177.40111.4I303 Q304 Y305 K310 A311I303-K307 HydrophobicContact CG2-CD 4.2Å; I303-K307 WeakPolarHBondContact O-CB 3.41Å; I303-K307 VanDerWaalsContact O-CG 3.31Å; I303-K307 WeakPolarHBondContact O-CG 3.44Å; I303-K307 PolarHBondContact O-N 2.93Å; Q304-K307 PolarHBondContact O-N 3.25Å; Y305-K307 PolarHBondContact O-N 3.21Å; K307-K310 PolarHBondContact O-N 2.68Å; K307-A311 WeakPolarHBondContact O-CB 3.41Å; K307-A311 PolarHBondContact O-N 3.32Å
308A68.6Low68.8Low1 Ų176.3 Ų76.31%0.00839%0.387CS..Hα-helixtrans-62.7-53.1177.600000112.4M291 L294 Q304 Y305 K310 A311 T312M291-A308 HydrophobicContact CE-CB 3.43Å; M291-A308 VanDerWaalsContact CE-CB 3.43Å; M291-A308 HydrophobicContact SD-CB 3.38Å; M291-A308 WeakPolarHBondContact SD-CB 3.47Å; L294-A308 HydrophobicContact CD1-CB 3.81Å; Q304-A308 VanDerWaalsContact O-CB 3.29Å; Q304-A308 WeakPolarHBondContact O-CB 3.18Å; Q304-A308 PolarHBondContact O-N 2.73Å; Y305-A308 WeakPolarHBondContact O-CB 3.35Å; Y305-A308 PolarHBondContact O-N 3.42Å; A308-K310 VanDerWaalsContact C-N 3.29Å; A308-K310 PolarHBondContact O-N 3Å; A308-A311 CarbonylContact O-C 3.59Å; A308-A311 WeakPolarHBondContact O-CB 3.46Å; A308-A311 PolarHBondContact O-N 3.09Å; A308-A311 VanDerWaalsContact O-N 3.07Å; A308-T312 PolarHBondContact O-N 3.42Å; A308-T312 PolarHBondContact O-OG1 3.3Å
309V71.5Confident68.8Low51 Ų5169.1 Ų69.131%0.30934%0.343SS..Hα-helixtrans-58.4-43.7176.3171.20000110.5Y305 A311 T312 L313Y305-V309 HydrophobicContact CD1-CG2 3.89Å; Y305-V309 HydrophobicContact CE1-CG2 3.48Å; Y305-V309 VanDerWaalsContact CE1-CG2 3.48Å; Y305-V309 HydrophobicContact CE2-CG2 4.15Å; Y305-V309 HydrophobicContact CG-CG2 4.38Å; Y305-V309 WeakPolarHBondContact O-CB 3.47Å; Y305-V309 WeakPolarHBondContact O-CG2 3.34Å; Y305-V309 PolarHBondContact O-N 3.03Å; V309-A311 VanDerWaalsContact C-N 3.33Å; V309-A311 PolarHBondContact O-N 3.45Å; V309-T312 PolarHBondContact O-N 3.16Å; V309-L313 HydrophobicContact CG1-CD1 3.79Å; V309-L313 HydrophobicContact CG1-CG 4.15Å; V309-L313 WeakPolarHBondContact O-CB 3.49Å; V309-L313 VanDerWaalsContact O-CG 3.27Å; V309-L313 WeakPolarHBondContact O-CG 3.45Å; V309-L313 PolarHBondContact O-N 3.02Å
310K75.7Confident68.7Low140 Ų14067.1 Ų67.161%0.60933%0.33SS*.Hα-helixtrans-58.9-44.9174.9-174.7177.8-179.8178.30111.5R306 K307 A308 V314R306-K310 VanDerWaalsContact O-CB 3.24Å; R306-K310 WeakPolarHBondContact O-CB 3.09Å; R306-K310 PolarHBondContact O-N 2.95Å; K307-K310 PolarHBondContact O-N 2.68Å; A308-K310 VanDerWaalsContact C-N 3.29Å; A308-K310 PolarHBondContact O-N 3Å; K310-V314 WeakPolarHBondContact O-CB 3.21Å; K310-V314 WeakPolarHBondContact O-CG2 3.21Å; K310-V314 PolarHBondContact O-N 3.39Å
311A69.7Low68.7Low27 Ų2765.7 Ų65.722%0.22332%0.318CS..Hα-helixtrans-64.7-42.9177.500000112.1L290 K307 A308 V309 V314 L315L290-A311 HydrophobicContact CD2-CB 3.66Å; K307-A311 WeakPolarHBondContact O-CB 3.41Å; K307-A311 PolarHBondContact O-N 3.32Å; A308-A311 CarbonylContact O-C 3.59Å; A308-A311 WeakPolarHBondContact O-CB 3.46Å; A308-A311 PolarHBondContact O-N 3.09Å; A308-A311 VanDerWaalsContact O-N 3.07Å; V309-A311 VanDerWaalsContact C-N 3.33Å; V309-A311 PolarHBondContact O-N 3.45Å; A311-V314 WeakPolarHBondContact O-CB 3.34Å; A311-V314 PolarHBondContact O-N 3.39Å; A311-L315 WeakPolarHBondContact O-CB 3.01Å; A311-L315 WeakPolarHBondContact O-CD1 3.04Å; A311-L315 WeakPolarHBondContact O-CG 3.28Å; A311-L315 PolarHBondContact O-N 2.9Å
312T71.1Confident68.8Low37 Ų3757.9 Ų57.923%0.22728%0.282CS..Hα-helixtrans-65.7-42.4177.3-570000111.8V287 A308 V309 V314 L315 L316V287-T312 HydrophobicContact CG2-CG2 4.39Å; A308-T312 PolarHBondContact O-N 3.42Å; A308-T312 PolarHBondContact O-OG1 3.3Å; V309-T312 PolarHBondContact O-N 3.16Å; T312-V314 VanDerWaalsContact C-N 3.29Å; T312-V314 PolarHBondContact O-N 3.33Å; T312-L315 CarbonylContact O-C 3.6Å; T312-L315 PolarHBondContact O-N 2.99Å; T312-L315 VanDerWaalsContact O-N 3.11Å; T312-L316 PolarHBondContact O-N 3.13Å
313L70.2Confident68.9Low107 Ų10754 Ų5456%0.5626%0.256SS*.Hα-helixtrans-63.8-34.6175.1-72.9175.3000112.2V309 P317V309-L313 HydrophobicContact CG1-CD1 3.79Å; V309-L313 HydrophobicContact CG1-CG 4.15Å; V309-L313 WeakPolarHBondContact O-CB 3.49Å; V309-L313 VanDerWaalsContact O-CG 3.27Å; V309-L313 WeakPolarHBondContact O-CG 3.45Å; V309-L313 PolarHBondContact O-N 3.02Å; L313-P317 WeakPolarHBondContact O-CD 3.31Å
314V68.5Low68.5Low30 Ų3051.5 Ų51.518%0.18224%0.243CC..Hα-helixtrans-65.3-42.5171.6169.90000110.7K310 A311 T312 P317 L318 F358K310-V314 WeakPolarHBondContact O-CB 3.21Å; K310-V314 WeakPolarHBondContact O-CG2 3.21Å; K310-V314 PolarHBondContact O-N 3.39Å; A311-V314 WeakPolarHBondContact O-CB 3.34Å; A311-V314 PolarHBondContact O-N 3.39Å; T312-V314 VanDerWaalsContact C-N 3.29Å; T312-V314 PolarHBondContact O-N 3.33Å; V314-P317 WeakPolarHBondContact O-CD 3.31Å; V314-L318 HydrophobicContact CG1-CD1 4.01Å; V314-L318 WeakPolarHBondContact O-CD1 3.39Å; V314-L318 WeakPolarHBondContact O-CG 3.34Å; V314-F358 HydrophobicContact CB-CD1 4.16Å; V314-F358 HydrophobicContact CB-CD2 4.27Å; V314-F358 HydrophobicContact CB-CE1 4.22Å; V314-F358 HydrophobicContact CB-CE2 4.33Å; V314-F358 HydrophobicContact CB-CG 4.19Å; V314-F358 HydrophobicContact CB-CZ 4.3Å; V314-F358 HydrophobicContact CG1-CB 3.75Å; V314-F358 HydrophobicContact CG1-CD1 3.87Å; V314-F358 HydrophobicContact CG1-CD2 3.87Å; V314-F358 HydrophobicContact CG1-CE1 4.42Å; V314-F358 HydrophobicContact CG1-CE2 4.43Å; V314-F358 HydrophobicContact CG1-CG 3.56Å; V314-F358 HydrophobicContact CG2-CD1 3.49Å; V314-F358 VanDerWaalsContact CG2-CD1 3.49Å; V314-F358 HydrophobicContact CG2-CD2 4.38Å; V314-F358 HydrophobicContact CG2-CE1 3.33Å; V314-F358 HydrophobicContact CG2-CE2 4.25Å; V314-F358 HydrophobicContact CG2-CG 4.03Å; V314-F358 HydrophobicContact CG2-CZ 3.74Å
315L68.7Low68.5Low19 Ų1953.4 Ų53.410%0.09925%0.253CS..Hα-helixtrans-73.4-23-177.7-70.7165.2000113.7L209 L283 I286 V287 A311 T312 L318 L319L209-L315 HydrophobicContact CD2-CD2 3.83Å; L283-L315 HydrophobicContact CD1-CB 3.68Å; L283-L315 HydrophobicContact CD1-CD1 4.1Å; L283-L315 HydrophobicContact CD1-CG 4.41Å; I286-L315 HydrophobicContact CG2-CD1 4.3Å; V287-L315 HydrophobicContact CG2-CD1 4.49Å; A311-L315 WeakPolarHBondContact O-CB 3.01Å; A311-L315 WeakPolarHBondContact O-CD1 3.04Å; A311-L315 WeakPolarHBondContact O-CG 3.28Å; A311-L315 PolarHBondContact O-N 2.9Å; T312-L315 CarbonylContact O-C 3.6Å; T312-L315 PolarHBondContact O-N 2.99Å; T312-L315 VanDerWaalsContact O-N 3.11Å; L315-L318 HydrophobicContact CD2-CD1 4.38Å; L315-L318 WeakPolarHBondContact O-CB 3.33Å; L315-L318 PolarHBondContact O-N 2.9Å; L315-L319 PolarHBondContact O-N 2.98Å
316L69.7Low68.2Low70 Ų7050.8 Ų50.837%0.36625%0.245SC..Hα-helixtrans-64.6-48.4-174.7-165.899.2000113.2T312 L318 I321T312-L316 PolarHBondContact O-N 3.13Å; L316-L318 PolarHBondContact O-N 3.26Å; L316-I321 HydrophobicContact CD1-CD1 4.18Å; L316-I321 HydrophobicContact CD1-CG2 4.27Å
317P62.3Low67.5Low14 Ų1446.9 Ų46.99%0.09123%0.234CC..Hα-helixtrans-65.7-27173.7-20.832.8000113.6L313 V314 Q351 F354L313-P317 WeakPolarHBondContact O-CD 3.31Å; V314-P317 WeakPolarHBondContact O-CD 3.31Å; P317-Q351 PolarHBondContact O-NE2 2.02Å; P317-F354 HydrophobicContact CB-CB 3.95Å; P317-F354 HydrophobicContact CB-CD2 4.28Å; P317-F354 HydrophobicContact CB-CG 4.46Å; P317-F354 HydrophobicContact CG-CB 4.01Å; P317-F354 HydrophobicContact CG-CD2 4.16Å; P317-F354 HydrophobicContact CG-CG 4.2Å
318L62.8Low66.9Low4 Ų446.4 Ų46.42%0.02124%0.24CC..Hα-helixtrans-72.5-31.1-170.3-71.7170.6000113.3V314 L315 L316 V355 Y359V314-L318 HydrophobicContact CG1-CD1 4.01Å; V314-L318 WeakPolarHBondContact O-CD1 3.39Å; V314-L318 WeakPolarHBondContact O-CG 3.34Å; L315-L318 HydrophobicContact CD2-CD1 4.38Å; L315-L318 WeakPolarHBondContact O-CB 3.33Å; L315-L318 PolarHBondContact O-N 2.9Å; L316-L318 PolarHBondContact O-N 3.26Å; L318-V355 HydrophobicContact CD2-CB 4.28Å; L318-V355 HydrophobicContact CD2-CG1 4.22Å; L318-V355 HydrophobicContact CD2-CG2 3.77Å; L318-Y359 HydrophobicContact CD1-CE1 3.52Å; L318-Y359 HydrophobicContact CD1-CE2 4.36Å; L318-Y359 VanDerWaalsContact CD1-CZ 3.44Å; L318-Y359 WeakPolarHBondContact CD1-OH 3.06Å; L318-Y359 HydrophobicContact CD2-CD2 4.05Å; L318-Y359 HydrophobicContact CD2-CE1 3.92Å; L318-Y359 HydrophobicContact CD2-CE2 3.22Å; L318-Y359 VanDerWaalsContact CD2-OH 3.23Å; L318-Y359 WeakPolarHBondContact CD2-OH 3.43Å; L318-Y359 HydrophobicContact CG-CE1 4.36Å; L318-Y359 HydrophobicContact CG-CE2 4.37Å
319L65.8Low66.4Low6 Ų653.1 Ų53.13%0.03128%0.276CS..THydrogen-bonded Turntrans-100.910.6-173.9-66.3172.9000113.9N279 L283 L315 I321N279-L319 HydrophobicContact CB-CB 4.34Å; N279-L319 HydrophobicContact CB-CD2 4.3Å; L283-L319 HydrophobicContact CB-CD1 3.42Å; L283-L319 VanDerWaalsContact CB-CD1 3.42Å; L283-L319 HydrophobicContact CD1-CD1 3.64Å; L283-L319 HydrophobicContact CD2-CD1 4.36Å; L283-L319 HydrophobicContact CG-CD1 3.95Å; L315-L319 PolarHBondContact O-N 2.98Å; L319-I321 VanDerWaalsContact C-N 3.26Å; L319-I321 HydrophobicContact CB-CG1 4.5Å; L319-I321 PolarHBondContact O-N 3.15Å
320G65.8Low66Low0 Ų052.5 Ų52.50%027%0.273CS..THydrogen-bonded Turntrans7119.2176.200000114.1L276 T322 Y323L276-G320 WeakPolarHBondContact CD2-O 3.49Å; G320-T322 PolarHBondContact O-N 3.01Å; G320-T322 VanDerWaalsContact O-N 3.12Å; G320-Y323 WeakPolarHBondContact O-CB 3.44Å; G320-Y323 PolarHBondContact O-N 3.32Å
321I66.3Low65.3Low29 Ų2947.5 Ų47.515%0.14926%0.261CS..Hα-helixtrans-60.3-25.1179-68.2177.1000111.9F280 L283 L316 L319 Y323 M324F280-I321 HydrophobicContact CD2-CD1 4.09Å; F280-I321 HydrophobicContact CD2-CG1 4.36Å; L283-I321 HydrophobicContact CD2-CD1 3.14Å; L283-I321 HydrophobicContact CG-CD1 4.47Å; L316-I321 HydrophobicContact CD1-CD1 4.18Å; L316-I321 HydrophobicContact CD1-CG2 4.27Å; L319-I321 VanDerWaalsContact C-N 3.26Å; L319-I321 HydrophobicContact CB-CG1 4.5Å; L319-I321 PolarHBondContact O-N 3.15Å; I321-Y323 PolarHBondContact O-N 3.04Å; I321-Y323 VanDerWaalsContact O-N 3.13Å; I321-M324 WeakPolarHBondContact O-CB 3.35Å; I321-M324 PolarHBondContact O-N 2.74Å
322T70Confident65.3Low5 Ų555 Ų553%0.03129%0.292CS..Hα-helixtrans-52.6-33.5171.560.60000111.8G320 L325 L347G320-T322 PolarHBondContact O-N 3.01Å; G320-T322 VanDerWaalsContact O-N 3.12Å; T322-L325 WeakPolarHBondContact O-CB 3.23Å; T322-L347 HydrophobicContact CG2-CB 3.64Å; T322-L347 HydrophobicContact CG2-CD1 4.02Å; T322-L347 HydrophobicContact CG2-CD2 4.12Å; T322-L347 HydrophobicContact CG2-CG 4.14Å
323Y67.7Low65.7Low19 Ų1958.6 Ų58.68%0.07531%0.309CS..Hα-helixtrans-81.8-18.5176.8-64.9-83.6000113.8R162 F199 G320 I321 L325 F326 Q348R162-Y323 PolarHBondContact NH1-OH 2.97Å; F199-Y323 HydrophobicContact CE1-CD1 4.25Å; F199-Y323 AromaticContact CE1-CD2 3.42Å; F199-Y323 HydrophobicContact CE1-CD2 3.42Å; F199-Y323 VanDerWaalsContact CE1-CD2 3.42Å; F199-Y323 HydrophobicContact CE1-CE1 4.46Å; F199-Y323 AromaticContact CE1-CE2 3.67Å; F199-Y323 HydrophobicContact CE1-CE2 3.67Å; F199-Y323 AromaticContact CE1-CG 3.71Å; F199-Y323 HydrophobicContact CE1-CG 3.71Å; F199-Y323 AromaticContact CZ-CD1 3.67Å; F199-Y323 HydrophobicContact CZ-CD1 3.67Å; F199-Y323 AromaticContact CZ-CD2 3.64Å; F199-Y323 HydrophobicContact CZ-CD2 3.64Å; F199-Y323 AromaticContact CZ-CE1 3.68Å; F199-Y323 HydrophobicContact CZ-CE1 3.68Å; F199-Y323 AromaticContact CZ-CE2 3.63Å; F199-Y323 HydrophobicContact CZ-CE2 3.63Å; F199-Y323 AromaticContact CZ-CG 3.63Å; F199-Y323 HydrophobicContact CZ-CG 3.63Å; F199-Y323 AromaticContact CZ-CZ 3.63Å; G320-Y323 WeakPolarHBondContact O-CB 3.44Å; G320-Y323 PolarHBondContact O-N 3.32Å; I321-Y323 PolarHBondContact O-N 3.04Å; I321-Y323 VanDerWaalsContact O-N 3.13Å; Y323-L325 PolarHBondContact O-N 3.16Å; Y323-F326 HydrophobicContact CD1-CD2 4.43Å; Y323-F326 HydrophobicContact CD1-CE2 4.12Å; Y323-F326 WeakPolarHBondContact O-CB 3.01Å; Y323-F326 WeakPolarHBondContact O-CD2 3.5Å; Y323-F326 PolarHBondContact O-N 2.95Å; Y323-Q348 HydrophobicContact CE1-CG 4.25Å; Y323-Q348 WeakPolarHBondContact OH-CG 3.2Å; Y323-Q348 PolarHBondContact OH-NE2 3.41Å
324M63.9Low66Low30 Ų3056.4 Ų56.415%0.14830%0.298CS..Hα-helixtrans-69-19.3172.8-78.8-74.9144.600112.2L276 L277 I321 F326 F327L276-M324 HydrophobicContact CB-CE 3.14Å; L276-M324 HydrophobicContact CD1-CE 4.09Å; L276-M324 HydrophobicContact CG-CE 4.24Å; L277-M324 HydrophobicContact CD2-CE 3.92Å; L277-M324 HydrophobicContact CD2-SD 4.13Å; L277-M324 HydrophobicContact CG-CE 3.98Å; I321-M324 WeakPolarHBondContact O-CB 3.35Å; I321-M324 PolarHBondContact O-N 2.74Å; M324-F326 PolarHBondContact O-N 3.14Å; M324-F327 HydrophobicContact CE-CD2 4.09Å; M324-F327 HydrophobicContact CE-CE2 3.68Å; M324-F327 PolarHBondContact O-N 3.12Å; M324-F327 HydrophobicContact SD-CD2 3.58Å; M324-F327 VanDerWaalsContact SD-CD2 3.58Å; M324-F327 HydrophobicContact SD-CE2 3.83Å
325L64Low66.5Low64 Ų6460.4 Ų60.434%0.33532%0.318SS..G310 helixtrans-58.1-28.5172.9-64.4174.6000111.5T322 Y323 F327 V328 F340 L347T322-L325 WeakPolarHBondContact O-CB 3.23Å; Y323-L325 PolarHBondContact O-N 3.16Å; L325-F327 PolarHBondContact O-N 2.84Å; L325-F327 VanDerWaalsContact O-N 3.17Å; L325-V328 WeakPolarHBondContact O-CB 3.27Å; L325-V328 PolarHBondContact O-N 3.35Å; L325-F340 HydrophobicContact CB-CE2 3.82Å; L325-F340 VanDerWaalsContact O-CE2 3.24Å; L325-F340 WeakPolarHBondContact O-CE2 3.47Å; L325-L347 HydrophobicContact CD1-CD1 3.85Å
326F60.4Low67.1Low108 Ų10861.8 Ų61.847%0.47433%0.329SS..G310 helixtrans-60.6-22.9175.5-78.9-82.9000114.5Y323 M324 F340 N344Y323-F326 HydrophobicContact CD1-CD2 4.43Å; Y323-F326 HydrophobicContact CD1-CE2 4.12Å; Y323-F326 WeakPolarHBondContact O-CB 3.01Å; Y323-F326 WeakPolarHBondContact O-CD2 3.5Å; Y323-F326 PolarHBondContact O-N 2.95Å; M324-F326 PolarHBondContact O-N 3.14Å; F326-F340 HydrophobicContact CD1-CE1 4.28Å; F326-F340 AromaticContact CD1-CZ 3.87Å; F326-F340 HydrophobicContact CD1-CZ 3.87Å; F326-F340 HydrophobicContact CE1-CE1 4.29Å; F326-F340 HydrophobicContact CE1-CZ 4.2Å; F326-F340 HydrophobicContact CG-CZ 4.12Å; F326-N344 VanDerWaalsContact CE2-OD1 3.31Å; F326-N344 WeakPolarHBondContact CE2-OD1 3.5Å; F326-N344 WeakPolarHBondContact CZ-ND2 3.43Å
327F59.2Low67.4Low115 Ų11561.6 Ų61.650%0.50433%0.326SS..G310 helixtrans-82-19.7174.7-70.3-71.2000113.3I273 M324 L325 N329I273-F327 HydrophobicContact CB-CZ 4.03Å; I273-F327 HydrophobicContact CD1-CE1 4.2Å; I273-F327 HydrophobicContact CD1-CZ 3.67Å; I273-F327 HydrophobicContact CG1-CE2 4.25Å; I273-F327 HydrophobicContact CG1-CZ 3.56Å; I273-F327 HydrophobicContact CG2-CE1 4.26Å; I273-F327 HydrophobicContact CG2-CE2 4.06Å; I273-F327 HydrophobicContact CG2-CZ 3.4Å; M324-F327 HydrophobicContact CE-CD2 4.09Å; M324-F327 HydrophobicContact CE-CE2 3.68Å; M324-F327 PolarHBondContact O-N 3.12Å; M324-F327 HydrophobicContact SD-CD2 3.58Å; M324-F327 VanDerWaalsContact SD-CD2 3.58Å; M324-F327 HydrophobicContact SD-CE2 3.83Å; L325-F327 PolarHBondContact O-N 2.84Å; L325-F327 VanDerWaalsContact O-N 3.17Å; F327-N329 VanDerWaalsContact C-N 3.35Å; F327-N329 PolarHBondContact O-N 2.58Å; F327-N329 VanDerWaalsContact O-N 3.1Å
328V63.1Low68.3Low99 Ų9962 Ų6260%0.633%0.327SS*.SBendtrans-81.294.3172-174.80000105.6L325 P330L325-V328 WeakPolarHBondContact O-CB 3.27Å; L325-V328 PolarHBondContact O-N 3.35Å; V328-P330 WeakPolarHBondContact O-CD 3.03Å
329N57.7Low69.2Low141 Ų14166 Ų6675%0.75435%0.347SS*.  trans-50.8115.3177.2-155.5-13.7000107.7F327 G331F327-N329 VanDerWaalsContact C-N 3.35Å; F327-N329 PolarHBondContact O-N 2.58Å; F327-N329 VanDerWaalsContact O-N 3.1Å; N329-G331 PolarHBondContact O-N 2.84Å; N329-G331 VanDerWaalsContact O-N 3.1Å
330P63.9Low70Confident38 Ų3867.7 Ų67.725%0.24735%0.354CS..  trans-60123.7175.626.5-32.5000105.6V328 Q337 F340V328-P330 WeakPolarHBondContact O-CD 3.03Å; P330-Q337 HydrophobicContact CB-CG 3.99Å; P330-Q337 HydrophobicContact CG-CG 4.23Å; P330-F340 HydrophobicContact CB-CB 4.08Å; P330-F340 HydrophobicContact CB-CG 4.21Å; P330-F340 HydrophobicContact CG-CD1 4.37Å; P330-F340 HydrophobicContact CG-CG 4.46Å
331G61.5Low70.7Confident35 Ų3570 Ų7036%0.36137%0.366SS..  trans-51162.2-179.200000111.5N329 D333N329-G331 PolarHBondContact O-N 2.84Å; N329-G331 VanDerWaalsContact O-N 3.1Å; G331-D333 PolarHBondContact O-N 3.11Å
332E69.5Low71.6Confident186 Ų18671.4 Ų71.487%0.86937%0.37SS*.SBendtrans-58.3-13.9-179.6-64.3178.7176.100113.3
333D78.1Confident72.2Confident111 Ų11177 Ų7759%0.59439%0.394SS*.SBendtrans-65.4130.4175.6-59.8-42.2000113.2G331 L335 S336 Q337G331-D333 PolarHBondContact O-N 3.11Å; D333-L335 VanDerWaalsContact C-N 3.26Å; D333-L335 PolarHBondContact O-N 3.3Å; D333-S336 WeakPolarHBondContact O-CB 3.27Å; D333-S336 PolarHBondContact O-N 3.11Å; D333-Q337 PolarHBondContact O-N 3.44Å
334D76.4Confident72.8Confident61 Ų6176.9 Ų76.933%0.32640%0.395SS..Hα-helixtrans-59.5-37.5-179.1-68.4-28.5000113.4K105 Y109 S336 Q337 I338K105-D334 WeakPolarHBondContact CE-OD1 3.33Å; K105-D334 IonicContact NZ-OD1 2.84Å; K105-D334 PolarHBondContact NZ-OD1 3.5Å; K105-D334 IonicContact NZ-OD2 2.58Å; K105-D334 PolarHBondContact NZ-OD2 3.49Å; Y109-D334 HydrophobicContact CE2-CB 4.24Å; Y109-D334 WeakPolarHBondContact CE2-OD1 3.2Å; Y109-D334 WeakPolarHBondContact OH-CA 3.31Å; Y109-D334 WeakPolarHBondContact OH-CB 3.39Å; Y109-D334 PolarHBondContact OH-OD1 2.95Å; D334-S336 VanDerWaalsContact C-N 3.3Å; D334-S336 PolarHBondContact O-N 3.27Å; D334-Q337 PolarHBondContact O-N 2.85Å; D334-I338 WeakPolarHBondContact O-CB 3.27Å; D334-I338 WeakPolarHBondContact O-CD1 3.39Å; D334-I338 VanDerWaalsContact O-CG1 3.23Å; D334-I338 WeakPolarHBondContact O-CG1 3.31Å; D334-I338 PolarHBondContact O-N 3.29Å
335L80.3Confident73.8Confident115 Ų11576.3 Ų76.360%0.60239%0.394SS*.Hα-helixtrans-62.7-38.9177.3-176.863.5000111.7D333 M339D333-L335 VanDerWaalsContact C-N 3.26Å; D333-L335 PolarHBondContact O-N 3.3Å; L335-M339 HydrophobicContact CD1-CE 3.8Å; L335-M339 HydrophobicContact CD1-CG 4.16Å; L335-M339 HydrophobicContact CG-CG 4.35Å; L335-M339 VanDerWaalsContact O-CB 3.3Å; L335-M339 WeakPolarHBondContact O-CB 3.16Å; L335-M339 WeakPolarHBondContact O-CG 3.35Å; L335-M339 PolarHBondContact O-N 3.38Å
336S79.8Confident74.9Confident48 Ų4877.4 Ų77.434%0.33640%0.396SS..Hα-helixtrans-67.1-42.8-179.1-65.30000111D333 D334 F340D333-S336 WeakPolarHBondContact O-CB 3.27Å; D333-S336 PolarHBondContact O-N 3.11Å; D334-S336 VanDerWaalsContact C-N 3.3Å; D334-S336 PolarHBondContact O-N 3.27Å; S336-F340 WeakPolarHBondContact O-CB 3.31Å; S336-F340 PolarHBondContact O-N 2.97Å
337Q77.6Confident76.1Confident65 Ų6574 Ų7430%0.30438%0.383SS..Hα-helixtrans-65.2-46176.1-63.2-174.215.200111.9Y109 P330 D333 D334 F340 I341Y109-Q337 HydrophobicContact CE1-CB 4.02Å; Y109-Q337 PolarHBondContact OH-OE1 3.48Å; Y109-Q337 VanDerWaalsContact OH-OE1 3.06Å; P330-Q337 HydrophobicContact CB-CG 3.99Å; P330-Q337 HydrophobicContact CG-CG 4.23Å; D333-Q337 PolarHBondContact O-N 3.44Å; D334-Q337 PolarHBondContact O-N 2.85Å; Q337-F340 WeakPolarHBondContact O-CB 3.42Å; Q337-F340 PolarHBondContact O-N 2.93Å; Q337-I341 VanDerWaalsContact O-CG1 3.3Å; Q337-I341 WeakPolarHBondContact O-CG1 3.46Å; Q337-I341 PolarHBondContact O-N 3.04Å
338I80.6Confident77.3Confident22 Ų2271 Ų7111%0.11337%0.37CS..Hα-helixtrans-61.7-47.9178.4-68.9163.6000110.6Y109 H112 D334 F340 I341 Y342Y109-I338 HydrophobicContact CD1-CG1 4.43Å; Y109-I338 HydrophobicContact CE1-CG1 4.12Å; H112-I338 HydrophobicContact CB-CG1 4.46Å; H112-I338 HydrophobicContact CB-CG2 4.22Å; D334-I338 WeakPolarHBondContact O-CB 3.27Å; D334-I338 WeakPolarHBondContact O-CD1 3.39Å; D334-I338 VanDerWaalsContact O-CG1 3.23Å; D334-I338 WeakPolarHBondContact O-CG1 3.31Å; D334-I338 PolarHBondContact O-N 3.29Å; I338-F340 VanDerWaalsContact C-N 3.32Å; I338-F340 PolarHBondContact O-N 2.99Å; I338-I341 PolarHBondContact O-N 3.26Å; I338-Y342 HydrophobicContact CG2-CD2 3.7Å; I338-Y342 HydrophobicContact CG2-CE2 3.5Å; I338-Y342 VanDerWaalsContact CG2-CE2 3.5Å; I338-Y342 WeakPolarHBondContact O-CD2 3.37Å; I338-Y342 PolarHBondContact O-N 2.9Å; I338-Y342 VanDerWaalsContact O-N 3.07Å
339M82.6Confident78.6Confident90 Ų9066.2 Ų66.244%0.44334%0.341SS..Hα-helixtrans-60.7-43.8177.1-72.8-64.9175.500111.2L335 I341 Y342 F343L335-M339 HydrophobicContact CD1-CE 3.8Å; L335-M339 HydrophobicContact CD1-CG 4.16Å; L335-M339 HydrophobicContact CG-CG 4.35Å; L335-M339 VanDerWaalsContact O-CB 3.3Å; L335-M339 WeakPolarHBondContact O-CB 3.16Å; L335-M339 WeakPolarHBondContact O-CG 3.35Å; L335-M339 PolarHBondContact O-N 3.38Å; M339-I341 PolarHBondContact O-N 2.85Å; M339-Y342 PolarHBondContact O-N 3.35Å; M339-F343 HydrophobicContact CB-CD2 4.27Å; M339-F343 HydrophobicContact CB-CE2 4.38Å; M339-F343 WeakPolarHBondContact O-CB 3.35Å; M339-F343 WeakPolarHBondContact O-CD2 3.38Å; M339-F343 PolarHBondContact O-N 2.94Å; M339-F343 HydrophobicContact SD-CE2 4.37Å
340F80.9Confident80.2Confident41 Ų4161.3 Ų61.318%0.1831%0.313CS..Hα-helixtrans-56.6-47.4176.5177.2-97.4000112.2L325 F326 P330 S336 Q337 I338 Y342 F343 N344L325-F340 HydrophobicContact CB-CE2 3.82Å; L325-F340 VanDerWaalsContact O-CE2 3.24Å; L325-F340 WeakPolarHBondContact O-CE2 3.47Å; F326-F340 HydrophobicContact CD1-CE1 4.28Å; F326-F340 AromaticContact CD1-CZ 3.87Å; F326-F340 HydrophobicContact CD1-CZ 3.87Å; F326-F340 HydrophobicContact CE1-CE1 4.29Å; F326-F340 HydrophobicContact CE1-CZ 4.2Å; F326-F340 HydrophobicContact CG-CZ 4.12Å; P330-F340 HydrophobicContact CB-CB 4.08Å; P330-F340 HydrophobicContact CB-CG 4.21Å; P330-F340 HydrophobicContact CG-CD1 4.37Å; P330-F340 HydrophobicContact CG-CG 4.46Å; S336-F340 WeakPolarHBondContact O-CB 3.31Å; S336-F340 PolarHBondContact O-N 2.97Å; Q337-F340 WeakPolarHBondContact O-CB 3.42Å; Q337-F340 PolarHBondContact O-N 2.93Å; I338-F340 VanDerWaalsContact C-N 3.32Å; I338-F340 PolarHBondContact O-N 2.99Å; F340-Y342 PolarHBondContact O-N 3.06Å; F340-F343 PolarHBondContact O-N 2.93Å; F340-N344 VanDerWaalsContact O-CB 3.25Å; F340-N344 WeakPolarHBondContact O-CB 3.43Å; F340-N344 PolarHBondContact O-N 2.71Å
341I80.8Confident81.4Confident49 Ų4959.5 Ų59.525%0.25130%0.302SS..Hα-helixtrans-59.9-45.9177.5-68164000111A116 Q337 I338 M339 S345A116-I341 HydrophobicContact CB-CG2 3.68Å; Q337-I341 VanDerWaalsContact O-CG1 3.3Å; Q337-I341 WeakPolarHBondContact O-CG1 3.46Å; Q337-I341 PolarHBondContact O-N 3.04Å; I338-I341 PolarHBondContact O-N 3.26Å; M339-I341 PolarHBondContact O-N 2.85Å; I341-S345 WeakPolarHBondContact O-CB 3.22Å; I341-S345 PolarHBondContact O-N 3.02Å; I341-S345 PolarHBondContact O-OG 2.71Å
342Y85.5Confident82.9Confident57 Ų5757.9 Ų57.922%0.22428%0.284CS..Hα-helixtrans-65.5-48178.8-80.2-63.2000112.8H112 I115 A116 I338 M339 F340 S345 F346H112-Y342 HydrophobicContact CB-CE2 4.31Å; H112-Y342 AromaticContact ND1-CE2 3.44Å; H112-Y342 WeakPolarHBondContact ND1-CE2 3.44Å; H112-Y342 AromaticContact ND1-CZ 3.63Å; H112-Y342 PolarHBondContact ND1-OH 2.84Å; I115-Y342 HydrophobicContact CB-CE1 4.25Å; I115-Y342 WeakPolarHBondContact CB-OH 3.42Å; I115-Y342 HydrophobicContact CG2-CE1 3.8Å; I115-Y342 WeakPolarHBondContact CG2-OH 3.35Å; A116-Y342 HydrophobicContact CB-CD1 4.25Å; A116-Y342 HydrophobicContact CB-CE1 4.18Å; I338-Y342 HydrophobicContact CG2-CD2 3.7Å; I338-Y342 HydrophobicContact CG2-CE2 3.5Å; I338-Y342 VanDerWaalsContact CG2-CE2 3.5Å; I338-Y342 WeakPolarHBondContact O-CD2 3.37Å; I338-Y342 PolarHBondContact O-N 2.9Å; I338-Y342 VanDerWaalsContact O-N 3.07Å; M339-Y342 PolarHBondContact O-N 3.35Å; F340-Y342 PolarHBondContact O-N 3.06Å; Y342-S345 PolarHBondContact O-N 2.66Å; Y342-F346 WeakPolarHBondContact O-CB 3.25Å; Y342-F346 PolarHBondContact O-N 3.08Å
343F82.9Confident84Confident123 Ų12352.1 Ų52.154%0.53926%0.257SS..Hα-helixtrans-61.6-46.2179.4-84.4-67.7000111.1M339 F340 F346 L347M339-F343 HydrophobicContact CB-CD2 4.27Å; M339-F343 HydrophobicContact CB-CE2 4.38Å; M339-F343 WeakPolarHBondContact O-CB 3.35Å; M339-F343 WeakPolarHBondContact O-CD2 3.38Å; M339-F343 PolarHBondContact O-N 2.94Å; M339-F343 HydrophobicContact SD-CE2 4.37Å; F340-F343 PolarHBondContact O-N 2.93Å; F343-F346 PolarHBondContact O-N 2.51Å; F343-L347 VanDerWaalsContact O-CB 3.25Å; F343-L347 WeakPolarHBondContact O-CB 3.47Å; F343-L347 WeakPolarHBondContact O-CG 3.23Å; F343-L347 PolarHBondContact O-N 3.09Å
344N81.2Confident84.5Confident17 Ų1749.3 Ų49.39%0.09124%0.239CC..Hα-helixtrans-63.7-47.7177.9-176.955.5000111.4F326 F340 F346 L347 Q348F326-N344 VanDerWaalsContact CE2-OD1 3.31Å; F326-N344 WeakPolarHBondContact CE2-OD1 3.5Å; F326-N344 WeakPolarHBondContact CZ-ND2 3.43Å; F340-N344 VanDerWaalsContact O-CB 3.25Å; F340-N344 WeakPolarHBondContact O-CB 3.43Å; F340-N344 PolarHBondContact O-N 2.71Å; N344-F346 VanDerWaalsContact C-N 3.33Å; N344-F346 PolarHBondContact O-N 2.82Å; N344-L347 PolarHBondContact O-N 3.09Å; N344-Q348 WeakPolarHBondContact O-CB 3.49Å; N344-Q348 PolarHBondContact O-N 3.35Å
345S84.4Confident85.2Confident18 Ų1846.4 Ų46.413%0.12622%0.224CC..Hα-helixtrans-57.5-43.4177.6-740000112.6N120 I341 Y342 S349N120-S345 PolarHBondContact ND2-O 2.81Å; I341-S345 WeakPolarHBondContact O-CB 3.22Å; I341-S345 PolarHBondContact O-N 3.02Å; I341-S345 PolarHBondContact O-OG 2.71Å; Y342-S345 PolarHBondContact O-N 2.66Å; S345-S349 VanDerWaalsContact O-CB 3.26Å; S345-S349 WeakPolarHBondContact O-CB 3.19Å; S345-S349 PolarHBondContact O-N 2.89Å; S345-S349 PolarHBondContact O-OG 3.15Å
346F87.2Confident85.7Confident86 Ų8641 Ų4138%0.37720%0.195SC..Hα-helixtrans-66.7-53.6176.5177.8-94.9000111.6Y342 F343 N344 Q348 S349 F350 F354Y342-F346 WeakPolarHBondContact O-CB 3.25Å; Y342-F346 PolarHBondContact O-N 3.08Å; F343-F346 PolarHBondContact O-N 2.51Å; N344-F346 VanDerWaalsContact C-N 3.33Å; N344-F346 PolarHBondContact O-N 2.82Å; F346-Q348 VanDerWaalsContact C-N 3.32Å; F346-Q348 PolarHBondContact O-N 2.86Å; F346-S349 PolarHBondContact O-N 3.07Å; F346-S349 PolarHBondContact O-OG 2.74Å; F346-S349 VanDerWaalsContact O-OG 3.1Å; F346-F350 AromaticContact CD2-CD2 3.53Å; F346-F350 HydrophobicContact CD2-CD2 3.53Å; F346-F350 AromaticContact CD2-CE2 3.61Å; F346-F350 HydrophobicContact CD2-CE2 3.61Å; F346-F350 HydrophobicContact CD2-CG 4.49Å; F346-F350 AromaticContact CE2-CD2 3.54Å; F346-F350 HydrophobicContact CE2-CD2 3.54Å; F346-F350 AromaticContact CE2-CE2 3.58Å; F346-F350 HydrophobicContact CE2-CE2 3.58Å; F346-F350 HydrophobicContact CE2-CG 4.16Å; F346-F350 HydrophobicContact CE2-CZ 4.23Å; F346-F350 HydrophobicContact CG-CD2 4.14Å; F346-F350 HydrophobicContact CZ-CD2 4.15Å; F346-F350 HydrophobicContact CZ-CG 4.38Å; F346-F350 WeakPolarHBondContact O-CB 3.45Å; F346-F350 WeakPolarHBondContact O-CD2 3.31Å; F346-F350 PolarHBondContact O-N 3.02Å; F346-F354 HydrophobicContact CE1-CE2 4.37Å; F346-F354 HydrophobicContact CE1-CZ 4.2Å; F346-F354 HydrophobicContact CZ-CZ 4.33Å
347L85.4Confident86.1Confident38 Ų3839.8 Ų39.820%0.19919%0.186CC..Hα-helixtrans-62.7-40.4-175.2-73.1173.1000112.1T322 L325 F343 N344 Q351T322-L347 HydrophobicContact CG2-CB 3.64Å; T322-L347 HydrophobicContact CG2-CD1 4.02Å; T322-L347 HydrophobicContact CG2-CD2 4.12Å; T322-L347 HydrophobicContact CG2-CG 4.14Å; L325-L347 HydrophobicContact CD1-CD1 3.85Å; F343-L347 VanDerWaalsContact O-CB 3.25Å; F343-L347 WeakPolarHBondContact O-CB 3.47Å; F343-L347 WeakPolarHBondContact O-CG 3.23Å; F343-L347 PolarHBondContact O-N 3.09Å; N344-L347 PolarHBondContact O-N 3.09Å; L347-Q351 WeakPolarHBondContact O-CB 3.4Å; L347-Q351 PolarHBondContact O-N 3.16Å; L347-Q351 VanDerWaalsContact O-N 3.09Å
348Q85.2Confident86.5Confident50 Ų5039 Ų3923%0.23418%0.181CC..Hα-helixtrans-70.1-42.5179.8179.7166.33.800112.8R162 Y323 N344 F346R162-Q348 PolarHBondContact NH2-O 3.16Å; R162-Q348 VanDerWaalsContact NH2-O 3.14Å; Y323-Q348 HydrophobicContact CE1-CG 4.25Å; Y323-Q348 WeakPolarHBondContact OH-CG 3.2Å; Y323-Q348 PolarHBondContact OH-NE2 3.41Å; N344-Q348 WeakPolarHBondContact O-CB 3.49Å; N344-Q348 PolarHBondContact O-N 3.35Å; F346-Q348 VanDerWaalsContact C-N 3.32Å; F346-Q348 PolarHBondContact O-N 2.86Å
349S89.7Confident86.6Confident0 Ų039.3 Ų39.30%018%0.182CC..Hα-helixtrans-70.6-42.9-179.158.40000112N120 S127 S345 F346 Q351N120-S349 WeakPolarHBondContact O-CB 3.3Å; S127-S349 VanDerWaalsContact CB-O 3.31Å; S127-S349 WeakPolarHBondContact CB-O 3.02Å; S127-S349 PolarHBondContact OG-O 2.93Å; S345-S349 VanDerWaalsContact O-CB 3.26Å; S345-S349 WeakPolarHBondContact O-CB 3.19Å; S345-S349 PolarHBondContact O-N 2.89Å; S345-S349 PolarHBondContact O-OG 3.15Å; F346-S349 PolarHBondContact O-N 3.07Å; F346-S349 PolarHBondContact O-OG 2.74Å; F346-S349 VanDerWaalsContact O-OG 3.1Å; S349-Q351 PolarHBondContact O-N 3.15Å
350F90.6Very high86.8Confident37 Ų3735 Ų3516%0.16216%0.16CC..Hα-helixtrans-83.8-2.3179.1-73.4-88.6000114.5V126 F346 G352 F353 F354V126-F350 HydrophobicContact CB-CE1 4.23Å; V126-F350 HydrophobicContact CG1-CE1 4.13Å; F346-F350 AromaticContact CD2-CD2 3.53Å; F346-F350 HydrophobicContact CD2-CD2 3.53Å; F346-F350 AromaticContact CD2-CE2 3.61Å; F346-F350 HydrophobicContact CD2-CE2 3.61Å; F346-F350 HydrophobicContact CD2-CG 4.49Å; F346-F350 AromaticContact CE2-CD2 3.54Å; F346-F350 HydrophobicContact CE2-CD2 3.54Å; F346-F350 AromaticContact CE2-CE2 3.58Å; F346-F350 HydrophobicContact CE2-CE2 3.58Å; F346-F350 HydrophobicContact CE2-CG 4.16Å; F346-F350 HydrophobicContact CE2-CZ 4.23Å; F346-F350 HydrophobicContact CG-CD2 4.14Å; F346-F350 HydrophobicContact CZ-CD2 4.15Å; F346-F350 HydrophobicContact CZ-CG 4.38Å; F346-F350 WeakPolarHBondContact O-CB 3.45Å; F346-F350 WeakPolarHBondContact O-CD2 3.31Å; F346-F350 PolarHBondContact O-N 3.02Å; F350-G352 VanDerWaalsContact C-N 3.34Å; F350-G352 PolarHBondContact O-N 2.86Å; F350-F353 HydrophobicContact CD1-CB 4.29Å; F350-F353 HydrophobicContact CD1-CD1 4.17Å; F350-F353 HydrophobicContact CD1-CG 4.36Å; F350-F353 WeakPolarHBondContact O-CA 3.01Å; F350-F353 VanDerWaalsContact O-CB 3.32Å; F350-F353 WeakPolarHBondContact O-CB 3.2Å; F350-F353 PolarHBondContact O-N 3.12Å; F350-F354 HydrophobicContact CB-CD2 4.14Å; F350-F354 HydrophobicContact CB-CE2 3.67Å; F350-F354 HydrophobicContact CB-CZ 4.2Å; F350-F354 WeakPolarHBondContact O-CD2 3.2Å; F350-F354 PolarHBondContact O-N 3.46Å
351Q90.4Very high87.2Confident1 Ų136.9 Ų36.91%0.00517%0.169CC..Hα-helixtrans-53.8-49.1-178.8-164.2-175.28.600112.4F159 R162 M202 P317 L347 S349 F353 F354 V355F159-Q351 HydrophobicContact CE1-CB 4.25Å; F159-Q351 HydrophobicContact CE1-CG 3.97Å; F159-Q351 HydrophobicContact CZ-CG 4.07Å; R162-Q351 VanDerWaalsContact NH1-OE1 3.11Å; M202-Q351 PolarHBondContact SD-NE2 3.43Å; P317-Q351 PolarHBondContact O-NE2 2.02Å; L347-Q351 WeakPolarHBondContact O-CB 3.4Å; L347-Q351 PolarHBondContact O-N 3.16Å; L347-Q351 VanDerWaalsContact O-N 3.09Å; S349-Q351 PolarHBondContact O-N 3.15Å; Q351-F353 VanDerWaalsContact C-N 3.33Å; Q351-F353 PolarHBondContact O-N 3Å; Q351-F354 PolarHBondContact O-N 3.04Å; Q351-V355 WeakPolarHBondContact O-CG2 3.42Å; Q351-V355 PolarHBondContact O-N 2.85Å
352G91.5Very high87.5Confident0 Ų040.5 Ų40.50%018%0.183CC..Hα-helixtrans-65-34.7178.100000113.3S127 L131 F350 V355 S356S127-G352 VanDerWaalsContact OG-CA 3.29Å; S127-G352 WeakPolarHBondContact OG-CA 2.92Å; L131-G352 WeakPolarHBondContact CD2-O 3.43Å; F350-G352 VanDerWaalsContact C-N 3.34Å; F350-G352 PolarHBondContact O-N 2.86Å; G352-V355 PolarHBondContact O-N 3.44Å; G352-S356 WeakPolarHBondContact O-CB 3.42Å; G352-S356 PolarHBondContact O-N 2.98Å
353F92.5Very high87.5Confident65 Ų6539.1 Ų39.129%0.28518%0.179SC..Hα-helixtrans-59.9-52.6171.7169.8-100.2000110.7V126 S127 A130 F350 Q351 V355 S356 V357V126-F353 HydrophobicContact CG1-CD2 3.81Å; V126-F353 HydrophobicContact CG1-CE2 4.22Å; V126-F353 HydrophobicContact CG1-CG 4.31Å; S127-F353 PolarHBondContact OG-N 3.49Å; S127-F353 VanDerWaalsContact OG-N 3.16Å; A130-F353 HydrophobicContact CB-CD2 3.78Å; A130-F353 HydrophobicContact CB-CE2 4.44Å; F350-F353 HydrophobicContact CD1-CB 4.29Å; F350-F353 HydrophobicContact CD1-CD1 4.17Å; F350-F353 HydrophobicContact CD1-CG 4.36Å; F350-F353 WeakPolarHBondContact O-CA 3.01Å; F350-F353 VanDerWaalsContact O-CB 3.32Å; F350-F353 WeakPolarHBondContact O-CB 3.2Å; F350-F353 PolarHBondContact O-N 3.12Å; Q351-F353 VanDerWaalsContact C-N 3.33Å; Q351-F353 PolarHBondContact O-N 3Å; F353-V355 VanDerWaalsContact C-N 3.33Å; F353-V355 PolarHBondContact O-N 2.91Å; F353-S356 PolarHBondContact O-N 2.84Å; F353-S356 VanDerWaalsContact O-N 3.16Å; F353-S356 PolarHBondContact O-OG 3.07Å; F353-V357 HydrophobicContact CD1-CG2 4.49Å; F353-V357 HydrophobicContact CD2-CG2 4.26Å; F353-V357 HydrophobicContact CE1-CG2 4.09Å; F353-V357 HydrophobicContact CE2-CG2 3.84Å; F353-V357 HydrophobicContact CZ-CG2 3.75Å; F353-V357 WeakPolarHBondContact O-CG2 3.26Å; F353-V357 PolarHBondContact O-N 2.02Å
354F90.2Very high87.6Confident53 Ų5335.7 Ų35.723%0.23218%0.178CC..Hα-helixtrans-59.1-43.6178.6-65.8-53000112.2P317 F346 F350 Q351 S356 V357 F358P317-F354 HydrophobicContact CB-CB 3.95Å; P317-F354 HydrophobicContact CB-CD2 4.28Å; P317-F354 HydrophobicContact CB-CG 4.46Å; P317-F354 HydrophobicContact CG-CB 4.01Å; P317-F354 HydrophobicContact CG-CD2 4.16Å; P317-F354 HydrophobicContact CG-CG 4.2Å; F346-F354 HydrophobicContact CE1-CE2 4.37Å; F346-F354 HydrophobicContact CE1-CZ 4.2Å; F346-F354 HydrophobicContact CZ-CZ 4.33Å; F350-F354 HydrophobicContact CB-CD2 4.14Å; F350-F354 HydrophobicContact CB-CE2 3.67Å; F350-F354 HydrophobicContact CB-CZ 4.2Å; F350-F354 WeakPolarHBondContact O-CD2 3.2Å; F350-F354 PolarHBondContact O-N 3.46Å; Q351-F354 PolarHBondContact O-N 3.04Å; F354-S356 PolarHBondContact O-N 2.81Å; F354-V357 PolarHBondContact O-N 3.37Å; F354-F358 HydrophobicContact CB-CD2 4.35Å; F354-F358 HydrophobicContact CB-CE2 4.18Å; F354-F358 WeakPolarHBondContact O-CD2 2.99Å; F354-F358 PolarHBondContact O-N 3.38Å
355V89.6Confident87.9Confident0 Ų039.5 Ų39.50%020%0.196CC..Hα-helixtrans-57.1-48.1175.6175.60000110.7L155 F159 L318 Q351 G352 F353 V357 F358 Y359L155-V355 HydrophobicContact CD2-CG1 4.29Å; F159-V355 HydrophobicContact CD2-CG1 4.39Å; F159-V355 HydrophobicContact CD2-CG2 4.45Å; F159-V355 HydrophobicContact CE2-CB 4.29Å; F159-V355 HydrophobicContact CE2-CG1 4.13Å; F159-V355 HydrophobicContact CE2-CG2 3.67Å; F159-V355 HydrophobicContact CZ-CG2 3.87Å; L318-V355 HydrophobicContact CD2-CB 4.28Å; L318-V355 HydrophobicContact CD2-CG1 4.22Å; L318-V355 HydrophobicContact CD2-CG2 3.77Å; Q351-V355 WeakPolarHBondContact O-CG2 3.42Å; Q351-V355 PolarHBondContact O-N 2.85Å; G352-V355 PolarHBondContact O-N 3.44Å; F353-V355 VanDerWaalsContact C-N 3.33Å; F353-V355 PolarHBondContact O-N 2.91Å; V355-V357 PolarHBondContact O-N 3.39Å; V355-F358 PolarHBondContact O-N 2.61Å; V355-Y359 HydrophobicContact CG1-CD2 3.61Å; V355-Y359 HydrophobicContact CG1-CE2 3.97Å; V355-Y359 WeakPolarHBondContact O-CB 3.47Å; V355-Y359 PolarHBondContact O-N 2.98Å
356S90.7Very high88Confident0 Ų038.8 Ų38.80%019%0.19CC..Hα-helixtrans-63-40.5179.876.90000112.5A130 G352 F353 F354 C360 F361A130-S356 WeakPolarHBondContact CB-OG 3.12Å; G352-S356 WeakPolarHBondContact O-CB 3.42Å; G352-S356 PolarHBondContact O-N 2.98Å; F353-S356 PolarHBondContact O-N 2.84Å; F353-S356 VanDerWaalsContact O-N 3.16Å; F353-S356 PolarHBondContact O-OG 3.07Å; F354-S356 PolarHBondContact O-N 2.81Å; S356-C360 WeakPolarHBondContact O-CA 3.38Å; S356-C360 WeakPolarHBondContact O-CB 3.43Å; S356-C360 PolarHBondContact O-N 2.97Å; S356-F361 WeakPolarHBondContact O-CD2 3.43Å; S356-F361 PolarHBondContact O-N 3.14Å
357V88.8Confident88.1Confident23 Ų2341.6 Ų41.614%0.13920%0.199CC..Iπ-helixtrans-63.6-48.6178171.80000110.6F353 F354 V355 F361 F362F353-V357 HydrophobicContact CD1-CG2 4.49Å; F353-V357 HydrophobicContact CD2-CG2 4.26Å; F353-V357 HydrophobicContact CE1-CG2 4.09Å; F353-V357 HydrophobicContact CE2-CG2 3.84Å; F353-V357 HydrophobicContact CZ-CG2 3.75Å; F353-V357 WeakPolarHBondContact O-CG2 3.26Å; F353-V357 PolarHBondContact O-N 2.02Å; F354-V357 PolarHBondContact O-N 3.37Å; V355-V357 PolarHBondContact O-N 3.39Å; V357-F361 HydrophobicContact CG2-CD2 4.33Å; V357-F361 PolarHBondContact O-N 3.03Å; V357-F362 HydrophobicContact CG1-CD1 4.08Å; V357-F362 HydrophobicContact CG1-CD2 3.81Å; V357-F362 HydrophobicContact CG1-CE1 4.02Å; V357-F362 HydrophobicContact CG1-CE2 3.75Å; V357-F362 HydrophobicContact CG1-CG 3.98Å; V357-F362 HydrophobicContact CG1-CZ 3.86Å; V357-F362 VanDerWaalsContact O-CB 3.31Å; V357-F362 WeakPolarHBondContact O-CB 3.35Å; V357-F362 PolarHBondContact O-N 3.36Å
358F85.7Confident88.3Confident48 Ų4843.4 Ų43.421%0.21121%0.214CC..Iπ-helixtrans-76.1-41.7-174.9-66.2-52.3000113.8V314 F354 V355 F362V314-F358 HydrophobicContact CB-CD1 4.16Å; V314-F358 HydrophobicContact CB-CD2 4.27Å; V314-F358 HydrophobicContact CB-CE1 4.22Å; V314-F358 HydrophobicContact CB-CE2 4.33Å; V314-F358 HydrophobicContact CB-CG 4.19Å; V314-F358 HydrophobicContact CB-CZ 4.3Å; V314-F358 HydrophobicContact CG1-CB 3.75Å; V314-F358 HydrophobicContact CG1-CD1 3.87Å; V314-F358 HydrophobicContact CG1-CD2 3.87Å; V314-F358 HydrophobicContact CG1-CE1 4.42Å; V314-F358 HydrophobicContact CG1-CE2 4.43Å; V314-F358 HydrophobicContact CG1-CG 3.56Å; V314-F358 HydrophobicContact CG2-CD1 3.49Å; V314-F358 VanDerWaalsContact CG2-CD1 3.49Å; V314-F358 HydrophobicContact CG2-CD2 4.38Å; V314-F358 HydrophobicContact CG2-CE1 3.33Å; V314-F358 HydrophobicContact CG2-CE2 4.25Å; V314-F358 HydrophobicContact CG2-CG 4.03Å; V314-F358 HydrophobicContact CG2-CZ 3.74Å; F354-F358 HydrophobicContact CB-CD2 4.35Å; F354-F358 HydrophobicContact CB-CE2 4.18Å; F354-F358 WeakPolarHBondContact O-CD2 2.99Å; F354-F358 PolarHBondContact O-N 3.38Å; V355-F358 PolarHBondContact O-N 2.61Å; F358-F362 HydrophobicContact CD1-CD2 4.14Å; F358-F362 HydrophobicContact CE1-CD2 4.26Å
359Y83.2Confident88.5Confident29 Ų2941.6 Ų41.611%0.11421%0.208CC..Iπ-helixtrans-85.3-26.1-176.4-67.7-22.7000114.6H152 L155 E205 L318 V355 N363H152-Y359 AromaticContact CE1-CD1 3.92Å; H152-Y359 AromaticContact CE1-CD2 3.95Å; H152-Y359 AromaticContact CE1-CE1 3.77Å; H152-Y359 AromaticContact CE1-CE2 3.81Å; H152-Y359 AromaticContact CE1-CG 3.99Å; H152-Y359 AromaticContact CE1-CZ 3.68Å; H152-Y359 AromaticContact ND1-CD2 3.58Å; H152-Y359 AromaticContact ND1-CE2 3.57Å; H152-Y359 AromaticContact ND1-CG 3.96Å; H152-Y359 AromaticContact ND1-CZ 3.93Å; L155-Y359 HydrophobicContact CD2-CE2 4.02Å; E205-Y359 VanDerWaalsContact CD-CE2 3.4Å; E205-Y359 VanDerWaalsContact CD-CZ 3.46Å; E205-Y359 WeakPolarHBondContact OE1-CE2 3.23Å; E205-Y359 PolarHBondContact OE1-OH 2.94Å; E205-Y359 VanDerWaalsContact OE1-OH 3.09Å; E205-Y359 WeakPolarHBondContact OE2-CE2 2.99Å; E205-Y359 PolarHBondContact OE2-OH 3.31Å; L318-Y359 HydrophobicContact CD1-CE1 3.52Å; L318-Y359 HydrophobicContact CD1-CE2 4.36Å; L318-Y359 VanDerWaalsContact CD1-CZ 3.44Å; L318-Y359 WeakPolarHBondContact CD1-OH 3.06Å; L318-Y359 HydrophobicContact CD2-CD2 4.05Å; L318-Y359 HydrophobicContact CD2-CE1 3.92Å; L318-Y359 HydrophobicContact CD2-CE2 3.22Å; L318-Y359 VanDerWaalsContact CD2-OH 3.23Å; L318-Y359 WeakPolarHBondContact CD2-OH 3.43Å; L318-Y359 HydrophobicContact CG-CE1 4.36Å; L318-Y359 HydrophobicContact CG-CE2 4.37Å; V355-Y359 HydrophobicContact CG1-CD2 3.61Å; V355-Y359 HydrophobicContact CG1-CE2 3.97Å; V355-Y359 WeakPolarHBondContact O-CB 3.47Å; V355-Y359 PolarHBondContact O-N 2.98Å; Y359-N363 WeakPolarHBondContact O-CB 3.28Å; Y359-N363 PolarHBondContact O-ND2 3.31Å; Y359-N363 VanDerWaalsContact O-ND2 3.14Å
360C87.5Confident88.5Confident0 Ų044.2 Ų44.20%022%0.224CC..Iπ-helixtrans-110.4-68.7-178.2-1640000111.3A134 L137 F138 S356 F362 N363 V366A134-C360 HydrophobicContact CB-CB 3.72Å; L137-C360 WeakPolarHBondContact CD2-SG 3.29Å; F138-C360 HydrophobicContact CE2-CB 3.84Å; F138-C360 HydrophobicContact CZ-CB 4.21Å; S356-C360 WeakPolarHBondContact O-CA 3.38Å; S356-C360 WeakPolarHBondContact O-CB 3.43Å; S356-C360 PolarHBondContact O-N 2.97Å; C360-F362 PolarHBondContact O-N 3.39Å; C360-N363 PolarHBondContact O-N 3.39Å; C360-V366 WeakPolarHBondContact O-CB 3.31Å; C360-V366 WeakPolarHBondContact O-CG1 3.34Å
361F88.8Confident88.5Confident80 Ų8049.9 Ų49.935%0.35124%0.244SC..Iπ-helixtrans-68.6-37.8-167.7-63.3-63.5000113.9A130 A133 A134 S356 V357 R367A130-F361 HydrophobicContact CB-CE2 4.44Å; A133-F361 HydrophobicContact CB-CZ 3.94Å; A134-F361 HydrophobicContact CB-CE2 4.5Å; S356-F361 WeakPolarHBondContact O-CD2 3.43Å; S356-F361 PolarHBondContact O-N 3.14Å; V357-F361 HydrophobicContact CG2-CD2 4.33Å; V357-F361 PolarHBondContact O-N 3.03Å; F361-R367 WeakPolarHBondContact O-CD 3.46Å; F361-R367 WeakPolarHBondContact O-CG 3.06Å
362F87.6Confident88.5Confident125 Ų12556 Ų5655%0.54827%0.271SS..THydrogen-bonded Turntrans-92.3-5179.5-74.25.1000113.5V357 F358 C360 G364V357-F362 HydrophobicContact CG1-CD1 4.08Å; V357-F362 HydrophobicContact CG1-CD2 3.81Å; V357-F362 HydrophobicContact CG1-CE1 4.02Å; V357-F362 HydrophobicContact CG1-CE2 3.75Å; V357-F362 HydrophobicContact CG1-CG 3.98Å; V357-F362 HydrophobicContact CG1-CZ 3.86Å; V357-F362 VanDerWaalsContact O-CB 3.31Å; V357-F362 WeakPolarHBondContact O-CB 3.35Å; V357-F362 PolarHBondContact O-N 3.36Å; F358-F362 HydrophobicContact CD1-CD2 4.14Å; F358-F362 HydrophobicContact CE1-CD2 4.26Å; C360-F362 PolarHBondContact O-N 3.39Å; F362-G364 PolarHBondContact O-N 3Å
363N85.5Confident88.3Confident29 Ų2963 Ų6316%0.15530%0.297CS..  trans-70.3119.6179.8-173.2-24.1000110.5Y359 C360 E365 V366 R367Y359-N363 WeakPolarHBondContact O-CB 3.28Å; Y359-N363 PolarHBondContact O-ND2 3.31Å; Y359-N363 VanDerWaalsContact O-ND2 3.14Å; C360-N363 PolarHBondContact O-N 3.39Å; N363-E365 VanDerWaalsContact C-N 3.28Å; N363-E365 PolarHBondContact O-N 2.84Å; N363-E365 WeakPolarHBondContact OD1-CB 3.28Å; N363-E365 PolarHBondContact OD1-N 3.35Å; N363-V366 HydrophobicContact CB-CB 4.06Å; N363-V366 HydrophobicContact CB-CG2 3.84Å; N363-V366 PolarHBondContact O-N 3.08Å; N363-R367 WeakPolarHBondContact O-CG 3.45Å; N363-R367 PolarHBondContact O-N 3.35Å
364G85.1Confident88.2Confident50 Ų5067 Ų6752%0.51531%0.311SS..Hα-helixtrans-60.8-35-17800000113.3F362 S368F362-G364 PolarHBondContact O-N 3Å; G364-S368 VanDerWaalsContact O-CB 3.24Å; G364-S368 WeakPolarHBondContact O-CB 3.44Å; G364-S368 PolarHBondContact O-N 2.01Å
365E86.2Confident88.3Confident98 Ų9869 Ų6946%0.45832%0.321SS..Hα-helixtrans-65.2-45.3177-64.2177.6-171.900110.7R148 N363 S368 A369R148-E365 IonicContact NH1-OE1 3.92Å; N363-E365 VanDerWaalsContact C-N 3.28Å; N363-E365 PolarHBondContact O-N 2.84Å; N363-E365 WeakPolarHBondContact OD1-CB 3.28Å; N363-E365 PolarHBondContact OD1-N 3.35Å; E365-S368 PolarHBondContact O-N 3.22Å; E365-A369 WeakPolarHBondContact O-CB 3.25Å; E365-A369 PolarHBondContact O-N 3.36Å
366V87.4Confident88.2Confident2 Ų274.5 Ų74.51%0.01234%0.341CS..Hα-helixtrans-64.3-49.7178.1176.40000110.2L137 F138 L141 I144 C360 N363 S368 A369 V370L137-V366 HydrophobicContact CD2-CG1 3.16Å; L137-V366 HydrophobicContact CG-CG1 4.49Å; F138-V366 HydrophobicContact CE1-CG2 4.39Å; L141-V366 HydrophobicContact CD1-CG1 4.04Å; I144-V366 HydrophobicContact CD1-CG2 4.13Å; C360-V366 WeakPolarHBondContact O-CB 3.31Å; C360-V366 WeakPolarHBondContact O-CG1 3.34Å; N363-V366 HydrophobicContact CB-CB 4.06Å; N363-V366 HydrophobicContact CB-CG2 3.84Å; N363-V366 PolarHBondContact O-N 3.08Å; V366-S368 VanDerWaalsContact C-N 3.29Å; V366-S368 PolarHBondContact O-N 3.16Å; V366-A369 PolarHBondContact O-N 3.06Å; V366-A369 VanDerWaalsContact O-N 3.13Å; V366-V370 HydrophobicContact CG1-CG2 4.34Å; V366-V370 VanDerWaalsContact O-CG2 3.32Å; V366-V370 WeakPolarHBondContact O-CG2 3.3Å; V366-V370 PolarHBondContact O-N 3.3Å
367R89Confident88.2Confident146 Ų14680.1 Ų80.155%0.55136%0.363SS*.Hα-helixtrans-58.7-40.1177.3-69.8178.171.5-176.43.7112.2F361 N363 R371F361-R367 WeakPolarHBondContact O-CD 3.46Å; F361-R367 WeakPolarHBondContact O-CG 3.06Å; N363-R367 WeakPolarHBondContact O-CG 3.45Å; N363-R367 PolarHBondContact O-N 3.35Å; R367-R371 VanDerWaalsContact O-CB 3.25Å; R367-R371 WeakPolarHBondContact O-CB 3.33Å; R367-R371 PolarHBondContact O-N 2.88Å
368S89.6Confident88.2Confident75 Ų7584.1 Ų84.152%0.52438%0.38SS..Hα-helixtrans-65.7-43.6175.4-174.40000111.7G364 E365 V366 R371 K372G364-S368 VanDerWaalsContact O-CB 3.24Å; G364-S368 WeakPolarHBondContact O-CB 3.44Å; G364-S368 PolarHBondContact O-N 2.01Å; E365-S368 PolarHBondContact O-N 3.22Å; V366-S368 VanDerWaalsContact C-N 3.29Å; V366-S368 PolarHBondContact O-N 3.16Å; S368-R371 PolarHBondContact O-N 3.34Å; S368-K372 WeakPolarHBondContact O-CB 3.44Å; S368-K372 PolarHBondContact O-N 2.74Å
369A89.5Confident88.4Confident13 Ų1386.2 Ų86.211%0.10739%0.393CS..Hα-helixtrans-64.4-43.6177.300000112.5L141 I144 E365 V366 K372 R373L141-A369 HydrophobicContact CD1-CB 4.3Å; L141-A369 HydrophobicContact CD2-CB 4.17Å; I144-A369 HydrophobicContact CG2-CB 4.21Å; E365-A369 WeakPolarHBondContact O-CB 3.25Å; E365-A369 PolarHBondContact O-N 3.36Å; V366-A369 PolarHBondContact O-N 3.06Å; V366-A369 VanDerWaalsContact O-N 3.13Å; A369-K372 PolarHBondContact O-N 2.92Å; A369-R373 WeakPolarHBondContact O-CB 3.48Å; A369-R373 PolarHBondContact O-N 3.39Å
370V89.6Confident88.4Confident55 Ų5589.3 Ų89.333%0.33341%0.408SS..Hα-helixtrans-60.5-48.9173.2173.30000110.1L137 L141 V366 K372 R373 W374L137-V370 HydrophobicContact CD1-CG2 3.88Å; L137-V370 HydrophobicContact CD2-CG2 4.1Å; L137-V370 HydrophobicContact CG-CG2 4.29Å; L141-V370 HydrophobicContact CD1-CG2 3.81Å; L141-V370 HydrophobicContact CD2-CG2 4.48Å; V366-V370 HydrophobicContact CG1-CG2 4.34Å; V366-V370 VanDerWaalsContact O-CG2 3.32Å; V366-V370 WeakPolarHBondContact O-CG2 3.3Å; V366-V370 PolarHBondContact O-N 3.3Å; V370-K372 VanDerWaalsContact C-N 3.33Å; V370-K372 PolarHBondContact O-N 3.25Å; V370-R373 PolarHBondContact O-N 3.39Å; V370-R373 VanDerWaalsContact O-N 3.1Å; V370-W374 WeakPolarHBondContact O-CB 3.43Å; V370-W374 PolarHBondContact O-N 3.18Å
371R90.6Very high88.3Confident155 Ų15593.1 Ų93.159%0.58543%0.426SS*.Hα-helixtrans-56-47.8176.6-174.3-177.8-60.6-160.90.5111.1R367 S368 R373 W374 H375R367-R371 VanDerWaalsContact O-CB 3.25Å; R367-R371 WeakPolarHBondContact O-CB 3.33Å; R367-R371 PolarHBondContact O-N 2.88Å; S368-R371 PolarHBondContact O-N 3.34Å; R371-R373 VanDerWaalsContact C-N 3.32Å; R371-R373 PolarHBondContact O-N 2.65Å; R371-W374 WeakPolarHBondContact O-CB 3.48Å; R371-W374 PolarHBondContact O-N 2.96Å; R371-H375 WeakPolarHBondContact CG-CE1 3.44Å; R371-H375 PolarHBondContact O-N 3.07Å; R371-H375 PolarHBondContact O-ND1 3.38Å
372K90Very high87.9Confident131 Ų13192.8 Ų92.857%0.5743%0.434SS*.Hα-helixtrans-63.6-35.2177.8-170.2176.6-176.9172.30112.6S368 A369 V370 R376S368-K372 WeakPolarHBondContact O-CB 3.44Å; S368-K372 PolarHBondContact O-N 2.74Å; A369-K372 PolarHBondContact O-N 2.92Å; V370-K372 VanDerWaalsContact C-N 3.33Å; V370-K372 PolarHBondContact O-N 3.25Å; K372-R376 WeakPolarHBondContact O-CG 3.4Å; K372-R376 PolarHBondContact O-N 3.49Å; K372-R376 PolarHBondContact O-NE 2.96Å; K372-R376 VanDerWaalsContact O-NE 3.08Å
373R88.2Confident87Confident147 Ų14793.8 Ų93.856%0.55544%0.444SS*.Hα-helixtrans-69.4-41.6174.4-173.860.6168139.5-3.6111.5A369 V370 R371 R376 W377A369-R373 WeakPolarHBondContact O-CB 3.48Å; A369-R373 PolarHBondContact O-N 3.39Å; V370-R373 PolarHBondContact O-N 3.39Å; V370-R373 VanDerWaalsContact O-N 3.1Å; R371-R373 VanDerWaalsContact C-N 3.32Å; R371-R373 PolarHBondContact O-N 2.65Å; R373-R376 PolarHBondContact O-N 3.41Å; R373-W377 WeakPolarHBondContact O-CB 3.4Å; R373-W377 PolarHBondContact O-N 3.21Å
374W90.5Very high86Confident148 Ų148100.4 Ų100.456%0.56147%0.467SS*.Hα-helixtrans-61.7-48.3176.7-175.1-90.9000112V370 R371 R376 W377 Q378V370-W374 WeakPolarHBondContact O-CB 3.43Å; V370-W374 PolarHBondContact O-N 3.18Å; R371-W374 WeakPolarHBondContact O-CB 3.48Å; R371-W374 PolarHBondContact O-N 2.96Å; W374-R376 PolarHBondContact O-N 3.04Å; W374-W377 HydrophobicContact CH2-CE3 4.46Å; W374-W377 HydrophobicContact CH2-CZ3 4.05Å; W374-W377 HydrophobicContact CZ2-CZ3 4.18Å; W374-W377 HydrophobicContact CZ3-CE3 4.45Å; W374-W377 HydrophobicContact CZ3-CZ3 4.41Å; W374-W377 WeakPolarHBondContact O-CB 3.43Å; W374-W377 PolarHBondContact O-N 3.47Å; W374-W377 VanDerWaalsContact O-N 3.12Å; W374-Q378 WeakPolarHBondContact O-CB 3.48Å; W374-Q378 PolarHBondContact O-N 2.92Å
375H90.6Very high84.6Confident96 Ų96102.9 Ų102.944%0.44447%0.471SS..Hα-helixtrans-59.1-47.4177.2-7372.4000111.3R371 W377 Q378 D379R371-H375 WeakPolarHBondContact CG-CE1 3.44Å; R371-H375 PolarHBondContact O-N 3.07Å; R371-H375 PolarHBondContact O-ND1 3.38Å; H375-W377 VanDerWaalsContact C-N 3.28Å; H375-W377 PolarHBondContact O-N 3.38Å; H375-Q378 WeakPolarHBondContact O-CB 3.18Å; H375-Q378 PolarHBondContact O-N 3.01Å; H375-Q378 VanDerWaalsContact O-N 3.13Å; H375-D379 PolarHBondContact O-N 3.45Å
376R88.9Confident83Confident114 Ų114103.6 Ų103.643%0.4349%0.485SS..Hα-helixtrans-61.5-33.9175.7-73.7179.8-66.9-155.23.2113.7K372 R373 W374 H380K372-R376 WeakPolarHBondContact O-CG 3.4Å; K372-R376 PolarHBondContact O-N 3.49Å; K372-R376 PolarHBondContact O-NE 2.96Å; K372-R376 VanDerWaalsContact O-NE 3.08Å; R373-R376 PolarHBondContact O-N 3.41Å; W374-R376 PolarHBondContact O-N 3.04Å; R376-H380 WeakPolarHBondContact O-CB 3.42Å; R376-H380 PolarHBondContact O-N 3.07Å; R376-H380 VanDerWaalsContact O-N 3.14Å
377W89.4Confident81.4Confident119 Ų119112 Ų11245%0.45153%0.526SS..Hα-helixtrans-69.6-42.6175.7177.881.7000110.8R373 W374 H375 H380 H381R373-W377 WeakPolarHBondContact O-CB 3.4Å; R373-W377 PolarHBondContact O-N 3.21Å; W374-W377 HydrophobicContact CH2-CE3 4.46Å; W374-W377 HydrophobicContact CH2-CZ3 4.05Å; W374-W377 HydrophobicContact CZ2-CZ3 4.18Å; W374-W377 HydrophobicContact CZ3-CE3 4.45Å; W374-W377 HydrophobicContact CZ3-CZ3 4.41Å; W374-W377 WeakPolarHBondContact O-CB 3.43Å; W374-W377 PolarHBondContact O-N 3.47Å; W374-W377 VanDerWaalsContact O-N 3.12Å; H375-W377 VanDerWaalsContact C-N 3.28Å; H375-W377 PolarHBondContact O-N 3.38Å; W377-H380 PolarHBondContact O-N 2.87Å; W377-H381 AromaticContact CD1-CD2 3.76Å; W377-H381 AromaticContact CD1-NE2 3.96Å; W377-H381 AromaticContact CD2-CD2 3.66Å; W377-H381 AromaticContact CE2-CD2 3.13Å; W377-H381 AromaticContact CE2-NE2 3.26Å; W377-H381 VanDerWaalsContact CE2-NE2 3.26Å; W377-H381 AromaticContact CZ2-CD2 3.4Å; W377-H381 WeakPolarHBondContact CZ2-CD2 3.49Å; W377-H381 AromaticContact CZ2-NE2 3.33Å; W377-H381 VanDerWaalsContact CZ2-NE2 3.33Å; W377-H381 WeakPolarHBondContact CZ2-NE2 3.39Å; W377-H381 AromaticContact NE1-CD2 3.21Å; W377-H381 PolarHBondContact NE1-CD2 3.49Å; W377-H381 AromaticContact NE1-NE2 3.07Å; W377-H381 PolarHBondContact NE1-NE2 2.97Å; W377-H381 PolarHBondContact O-CD2 3.03Å; W377-H381 PolarHBondContact O-N 3.15Å
378Q90.2Very high79.6Confident106 Ų106109.5 Ų109.550%0.49554%0.537SS..Hα-helixtrans-62-44.9174.7-171.6171.72.600111.8W374 H375 H380 H381 S382W374-Q378 WeakPolarHBondContact O-CB 3.48Å; W374-Q378 PolarHBondContact O-N 2.92Å; H375-Q378 WeakPolarHBondContact O-CB 3.18Å; H375-Q378 PolarHBondContact O-N 3.01Å; H375-Q378 VanDerWaalsContact O-N 3.13Å; Q378-H380 VanDerWaalsContact C-N 3.34Å; Q378-H380 PolarHBondContact O-N 3.08Å; Q378-H381 PolarHBondContact O-N 3.05Å; Q378-S382 WeakPolarHBondContact O-CB 3.29Å; Q378-S382 PolarHBondContact O-N 2.89Å
379D88.3Confident77.7Confident92 Ų92116.8 Ų116.849%0.49255%0.553SS.*Hα-helixtrans-58.8-46.8176.4-62.5-25000110.8H375 H381 S382 L383H375-D379 PolarHBondContact O-N 3.45Å; D379-H381 VanDerWaalsContact C-N 3.34Å; D379-H381 PolarHBondContact O-N 3.42Å; D379-S382 PolarHBondContact O-N 3.48Å; D379-S382 PolarHBondContact O-OG 3.39Å; D379-L383 WeakPolarHBondContact O-CG 3.48Å; D379-L383 PolarHBondContact O-N 3.02Å
380H85Confident75.7Confident94 Ų94120.8 Ų120.844%0.43559%0.586SS.*Hα-helixtrans-67.4-31.5178.8-176.9-102.3000113.4R376 W377 Q378 R384R376-H380 WeakPolarHBondContact O-CB 3.42Å; R376-H380 PolarHBondContact O-N 3.07Å; R376-H380 VanDerWaalsContact O-N 3.14Å; W377-H380 PolarHBondContact O-N 2.87Å; Q378-H380 VanDerWaalsContact C-N 3.34Å; Q378-H380 PolarHBondContact O-N 3.08Å; H380-R384 PolarHBondContact CE1-NE 3.22Å; H380-R384 VanDerWaalsContact CE1-NE 3.26Å; H380-R384 PolarHBondContact CE1-NH2 2.99Å
381H83.6Confident73.5Confident80 Ų80127 Ų12737%0.3761%0.614SS.*Hα-helixtrans-74.5-35.1172.7-92.2-80.6000112.7W377 Q378 D379 L383 R384W377-H381 AromaticContact CD1-CD2 3.76Å; W377-H381 AromaticContact CD1-NE2 3.96Å; W377-H381 AromaticContact CD2-CD2 3.66Å; W377-H381 AromaticContact CE2-CD2 3.13Å; W377-H381 AromaticContact CE2-NE2 3.26Å; W377-H381 VanDerWaalsContact CE2-NE2 3.26Å; W377-H381 AromaticContact CZ2-CD2 3.4Å; W377-H381 WeakPolarHBondContact CZ2-CD2 3.49Å; W377-H381 AromaticContact CZ2-NE2 3.33Å; W377-H381 VanDerWaalsContact CZ2-NE2 3.33Å; W377-H381 WeakPolarHBondContact CZ2-NE2 3.39Å; W377-H381 AromaticContact NE1-CD2 3.21Å; W377-H381 PolarHBondContact NE1-CD2 3.49Å; W377-H381 AromaticContact NE1-NE2 3.07Å; W377-H381 PolarHBondContact NE1-NE2 2.97Å; W377-H381 PolarHBondContact O-CD2 3.03Å; W377-H381 PolarHBondContact O-N 3.15Å; Q378-H381 PolarHBondContact O-N 3.05Å; D379-H381 VanDerWaalsContact C-N 3.34Å; D379-H381 PolarHBondContact O-N 3.42Å; H381-L383 VanDerWaalsContact C-N 3.28Å; H381-L383 PolarHBondContact O-N 3.06Å; H381-R384 PolarHBondContact O-N 2.9Å; H381-R384 VanDerWaalsContact O-N 3.14Å
382S80.9Confident71.7Confident73 Ų73124.4 Ų124.451%0.5162%0.619SS.*Hα-helixtrans-64.2-34.2176.7730000112.3Q378 D379 R384Q378-S382 WeakPolarHBondContact O-CB 3.29Å; Q378-S382 PolarHBondContact O-N 2.89Å; D379-S382 PolarHBondContact O-N 3.48Å; D379-S382 PolarHBondContact O-OG 3.39Å; S382-R384 VanDerWaalsContact C-N 3.31Å; S382-R384 PolarHBondContact O-N 2.92Å
383L69.7Low69.9Low146 Ų146124.7 Ų124.776%0.76463%0.625SS**THydrogen-bonded Turntrans-74-16.2175.1-67.8170.8000114.1D379 H381D379-L383 WeakPolarHBondContact O-CG 3.48Å; D379-L383 PolarHBondContact O-N 3.02Å; H381-L383 VanDerWaalsContact C-N 3.28Å; H381-L383 PolarHBondContact O-N 3.06Å
384R63.1Low67.9Low168 Ų168124 Ų12463%0.63464%0.64SS**THydrogen-bonded Turntrans-89.7-7.7178.7-76.2-179178.8-162.6-7.1113.9H380 H381 S382 P386H380-R384 PolarHBondContact CE1-NE 3.22Å; H380-R384 VanDerWaalsContact CE1-NE 3.26Å; H380-R384 PolarHBondContact CE1-NH2 2.99Å; H381-R384 PolarHBondContact O-N 2.9Å; H381-R384 VanDerWaalsContact O-N 3.14Å; S382-R384 VanDerWaalsContact C-N 3.31Å; S382-R384 PolarHBondContact O-N 2.92Å; R384-P386 WeakPolarHBondContact O-CD 3.25Å
385V57.2Low66.3Low102 Ų102123 Ų12362%0.61865%0.65SS**SBendtrans-79.1118163.5-176.80000106M387V385-M387 PolarHBondContact O-N 3.13Å
386P52Low64.3Low114 Ų114123.6 Ų123.674%0.7467%0.665SS**  trans-57.9110.5173.5-16.428.5000107.5R384 A388R384-P386 WeakPolarHBondContact O-CD 3.25Å; P386-A388 PolarHBondContact O-N 3.04Å
387M54.5Low62.4Low179 Ų179124 Ų12488%0.88268%0.683SS**  trans-65.682.2160.4-93.5-155.7-176.200106.9V385 R389V385-M387 PolarHBondContact O-N 3.13Å; M387-R389 PolarHBondContact O-N 2.81Å
388A49.9Very low60.6Low93 Ų93124.7 Ų124.777%0.76970%0.7SS**  trans-7170.9154.500000107.2P386P386-A388 PolarHBondContact O-N 3.04Å
389R50.3Low58.4Low227 Ų227131 Ų13186%0.85772%0.72SS**  trans-163113.2165.5-114.1167.1-177.1144.21.1111.9M387M387-R389 PolarHBondContact O-N 2.81Å
390A46.5Very low56.4Low97 Ų97133.5 Ų133.580%0.80273%0.731SS**  trans75.379.615900000118.5
391M44.7Very low54.7Low187 Ų187134.1 Ų134.192%0.92175%0.746SS**  trans-68.3153.9141.6-155162.3-160.800109.3
392S52Low52.9Low100 Ų100139.2 Ų139.270%0.69977%0.767SS**  trans88.7119-175.787.50000112.4
393I51.9Low51.4Low136 Ų136144.6 Ų144.670%0.69778%0.784SS**  cis-159.6138.336.5-73.4149.5000108.3T395I393-T395 HydrophobicContact CG2-CG2 3.85Å
394P46.9Very low50.1Low132 Ų132143.2 Ų143.286%0.85779%0.787SS**  trans-99.7103.3161.730.6-18.3000110.1
395T56.7Low49.3Very low127 Ų127142.7 Ų142.778%0.77980%0.795SS**  trans-96116.6162.941.70000109.6I393I393-T395 HydrophobicContact CG2-CG2 3.85Å
396S49.4Very low48.7Very low110 Ų110147.4 Ų147.477%0.76981%0.807SS**  trans-50.7148.7174.6-171.50000113.6
397P48.9Very low48.5Very low122 Ų122150.9 Ų150.979%0.79281%0.813SS**  trans-86.3115.6-172.132.7-30.7000112.7R399P397-R399 PolarHBondContact O-N 3.24Å
398T51.1Low48.1Very low133 Ų133149.7 Ų149.782%0.81682%0.816SS**  trans-83.298.9162.142.40000110.7I400T398-I400 PolarHBondContact O-N 3.05Å
399R43.8Very low47.8Very low240 Ų240150.3 Ų150.391%0.90682%0.822SS**  trans18.4100.6131-163-169.1-80.6-160.2-1.9115.7P397P397-R399 PolarHBondContact O-N 3.24Å
400I46.1Very low47.8Very low144 Ų144144.3 Ų144.374%0.73882%0.82SS**  trans-131.2106.8153.3-61.7179.7000107.7T398 F402T398-I400 PolarHBondContact O-N 3.05Å; I400-F402 HydrophobicContact CG2-CD2 4.38Å; I400-F402 PolarHBondContact O-N 2.87Å
401S49.1Very low47.9Very low107 Ų107150.2 Ų150.275%0.74885%0.846SS**  trans-73.8110170.560.50000109.4H403S401-H403 VanDerWaalsContact C-N 3.34Å; S401-H403 PolarHBondContact O-N 3.16Å; S401-H403 VanDerWaalsContact O-N 3.17Å
402F46.2Very low48.1Very low186 Ų186148.4 Ų148.482%0.81684%0.843SS**  trans-78.184.8162.3-102.5-95.5000108.6I400I400-F402 HydrophobicContact CG2-CD2 4.38Å; I400-F402 PolarHBondContact O-N 2.87Å
403H48.5Very low47.9Very low187 Ų187150.9 Ų150.987%0.86685%0.85SS**  trans-15862.9168.9-118-76.8000110.7S401S401-H403 VanDerWaalsContact C-N 3.34Å; S401-H403 PolarHBondContact O-N 3.16Å; S401-H403 VanDerWaalsContact O-N 3.17Å
404S43.5Very low47.6Very low117 Ų117151.8 Ų151.882%0.81886%0.859SS**  trans-171.568.1160.5-164.50000111.5
405I45.9Very low47.7Very low156 Ų156152.9 Ų152.980%0.886%0.859SS**  trans-146.785162.7-54179.2000107.2
406K45.5Very low47.1Very low201 Ų201154.6 Ų154.687%0.87486%0.864SS**SBendtrans168.390.4156.7-97171.8-173.5-172.70108.4
407Q48Very low46.9Very low187 Ų187157.5 Ų157.587%0.87487%0.87SS**SBendtrans158.287.9151.1-92.6174.5-12.700108.8
408T45.6Very low46.8Very low154 Ų154160.1 Ų160.195%0.94588%0.875SS**  trans172.379.5147.923.10000108.6
409A44.2Very low46.5Very low107 Ų107162.2 Ų162.288%0.88488%0.88SS**  trans-156.774.5162.300000107.3
410A48.4Very low46.7Very low100 Ų100155.7 Ų155.783%0.82688%0.878SS**  trans-158.987.3164.100000106.8
411V49.6Very low46.8Very low222 Ų222156.7 Ų156.7100%1.34589%0.891SS**  trans-120.70149.8173.40000105.3

Retrieved 411 of 411 residues in 279.7 ms (Link to these results)