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Prostaglandin E2 receptor EP2 subtype

Receptor for prostaglandin E2 (PGE2). The activity of this receptor is mediated by G(s) proteins that stimulate adenylate cyclase. The subsequent raise in intracellular cAMP is responsible for the relaxing effect of this receptor on smooth muscle.

AlphaFold DB , UniProt , Accession A0A060W066, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497541, Length 369 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
1M32.2Very low45.5Very low245 Ų245121.3 Ų121.3100%1.20765%0.648SS**  0110.30-74.1162.1171.300106.6
2A32.1Very low47Very low85 Ų85119 Ų11970%0.70265%0.648SS**  trans-73.9132.5171.600000107.7
3N31.1Very low48.9Very low146 Ų146115.5 Ų115.578%0.78163%0.629SS**  trans-107.466.8176.3-159.647.1000108.6T5N3-T5 VanDerWaalsContact C-N 3.27Å; N3-T5 PolarHBondContact ND2-OG1 3.48Å; N3-T5 PolarHBondContact O-N 3.24Å; N3-T5 PolarHBondContact O-OG1 2.99Å
4D36.8Very low50.1Low141 Ų141113.6 Ų113.675%0.75462%0.617SS**  trans-65.887.7176.9-68-42.6000109.3E6D4-E6 VanDerWaalsContact C-N 3.25Å; D4-E6 PolarHBondContact O-N 3.18Å
5T35.9Very low51.3Low97 Ų97114.2 Ų114.260%0.59561%0.614SS**  trans-96.755.7172.7-40.40000108.4N3 K7N3-T5 VanDerWaalsContact C-N 3.27Å; N3-T5 PolarHBondContact ND2-OG1 3.48Å; N3-T5 PolarHBondContact O-N 3.24Å; N3-T5 PolarHBondContact O-OG1 2.99Å; T5-K7 PolarHBondContact O-N 3.12Å
6E40.6Very low52.4Low175 Ų175107.8 Ų107.882%0.81858%0.579SS**  trans-7475.5177.1-166.7172.1-174.600109.2D4D4-E6 VanDerWaalsContact C-N 3.25Å; D4-E6 PolarHBondContact O-N 3.18Å
7K44.2Very low52.8Low180 Ų180109.2 Ų109.278%0.78359%0.587SS**  trans-142.757.7176.9-82.5-167.5173.7-176.20110.8T5 P9T5-K7 PolarHBondContact O-N 3.12Å; K7-P9 WeakPolarHBondContact O-CD 3.23Å
8D53.1Low53.3Low131 Ų131112.6 Ų112.670%0.70160%0.604SS**  trans-109.169173.3-75.1-25000112C10D8-C10 VanDerWaalsContact C-N 3.32Å; D8-C10 PolarHBondContact O-N 3.48Å
9P62.7Low53.7Low67 Ų67108 Ų10844%0.43559%0.587SS.*  trans-73.188.8171.132.4-33.4000109.6K7 H11 S12K7-P9 WeakPolarHBondContact O-CD 3.23Å; P9-H11 PolarHBondContact O-N 3.26Å; P9-S12 PolarHBondContact O-N 2.91Å
10C66.7Low54.7Low18 Ų18107.1 Ų107.112%0.12258%0.581CS.*G310 helixtrans-52.1-17.9169.8-65.90000113.3D8 S12 N13 Q173 C175D8-C10 VanDerWaalsContact C-N 3.32Å; D8-C10 PolarHBondContact O-N 3.48Å; C10-S12 PolarHBondContact O-N 3Å; C10-S12 VanDerWaalsContact O-N 3.14Å; C10-N13 PolarHBondContact O-N 2.93Å; C10-N13 VanDerWaalsContact O-N 3.15Å; C10-Q173 PolarHBondContact O-NE2 3.11Å; C10-C175 HydrophobicContact CB-CB 3.85Å; C10-C175 WeakPolarHBondContact CB-SG 3.18Å; C10-C175 WeakPolarHBondContact SG-CB 3.31Å; C10-C175 CovalentContact SG-SG 2.03Å; C10-C175 PolarHBondContact SG-SG 3.26Å
11H65.3Low56Low49 Ų49104.6 Ų104.623%0.22757%0.571CS.*G310 helixtrans-48-30.3170.6-59.5-81.2000113.7P9 Q173 H287P9-H11 PolarHBondContact O-N 3.26Å; H11-Q173 PolarHBondContact CE1-O 3.1Å; H11-Q173 PolarHBondContact ND1-O 3.5Å; H11-Q173 VanDerWaalsContact ND1-O 3.08Å; H11-H287 AromaticContact NE2-CE1 3.67Å
12S63.3Low58.4Low94 Ų94101.7 Ų101.766%0.65755%0.546SS*.G310 helixtrans-110.22-179.6-52.80000114.6P9 C10P9-S12 PolarHBondContact O-N 2.91Å; C10-S12 PolarHBondContact O-N 3Å; C10-S12 VanDerWaalsContact O-N 3.14Å
13N71.4Confident60.8Low73 Ų73102.4 Ų102.439%0.3954%0.537SS..  trans-76.4133.1-178.7-76.7-11.6000111.5C10 T89 Q173C10-N13 PolarHBondContact O-N 2.93Å; C10-N13 VanDerWaalsContact O-N 3.15Å; N13-T89 WeakPolarHBondContact O-CB 3.33Å; N13-T89 WeakPolarHBondContact O-CG2 3.27Å; N13-T89 PolarHBondContact O-OG1 2.91Å; N13-Q173 PolarHBondContact O-NE2 2.9Å
14L66.4Low63.2Low90 Ų9095.9 Ų95.947%0.47150%0.503SS..  trans-96.2-16.7179.9-62.2173.4000113.2T89 S92L14-T89 WeakPolarHBondContact CA-OG1 3.46Å; L14-T89 PolarHBondContact O-N 3.49Å; L14-T89 PolarHBondContact O-OG1 2.92Å; L14-S92 WeakPolarHBondContact O-CB 3.48Å
15H67.4Low65.5Low122 Ų12290.8 Ų90.857%0.56548%0.481SS*.BIsolated β-bridgetrans-122.3155.1179.9-65.2-63.4000112.3N87H15-N87 WeakPolarHBondContact CA-O 3.49Å; H15-N87 PolarHBondContact ND1-O 3.43Å
16I70.1Confident68Low11 Ų1191.8 Ų91.86%0.05648%0.481CS..  trans-98.3109179.4-55.9167.6000109.7N18 A83 Y84 N87 T88 T89 P176 T178I16-N18 PolarHBondContact O-N 2.98Å; I16-A83 VanDerWaalsContact CD1-C 3.48Å; I16-A83 HydrophobicContact CD1-CB 4.1Å; I16-A83 VanDerWaalsContact CD1-O 3.25Å; I16-A83 WeakPolarHBondContact CD1-O 3.4Å; I16-Y84 HydrophobicContact CD1-CD1 4.21Å; I16-Y84 HydrophobicContact CG2-CD1 4.39Å; I16-Y84 HydrophobicContact CG2-CE1 4.21Å; I16-N87 PolarHBondContact N-O 3.42Å; I16-T88 WeakPolarHBondContact CD1-O 3.45Å; I16-T89 HydrophobicContact CG1-CG2 4.12Å; I16-P176 HydrophobicContact CG2-CB 4.36Å; I16-T178 HydrophobicContact CD1-CG2 3.38Å; I16-T178 HydrophobicContact CG1-CG2 4.05Å
17D59.3Low70.1Confident133 Ų13384.8 Ų84.871%0.71145%0.449SS*.THydrogen-bonded Turntrans-77.9119.2171.3-73.5-38.5000111.4G19D17-G19 VanDerWaalsContact C-N 3.35Å; D17-G19 PolarHBondContact O-N 3.43Å
18N60.4Low72.1Confident169 Ų16978.8 Ų78.890%0.90442%0.423SS*.THydrogen-bonded Turntrans51.242.8172.7-68.6-42.4000115.7I16I16-N18 PolarHBondContact O-N 2.98Å
19G61.5Low73.8Confident26 Ų2675.3 Ų75.327%0.26841%0.409SS..  trans-68.5128.6175.800000114D17 P21D17-G19 VanDerWaalsContact C-N 3.35Å; D17-G19 PolarHBondContact O-N 3.43Å; G19-P21 WeakPolarHBondContact O-CD 3.35Å
20N73.9Confident75Confident89 Ų8973.4 Ų73.448%0.47640%0.399SS..  trans-104.4103.4174.1-173.9-5.9000111.3R22N20-R22 PolarHBondContact O-N 3.12Å; N20-R22 VanDerWaalsContact O-N 3.1Å; N20-R22 WeakPolarHBondContact OD1-CB 3.45Å; N20-R22 WeakPolarHBondContact OD1-CD 3.48Å; N20-R22 WeakPolarHBondContact OD1-CG 3.45Å; N20-R22 PolarHBondContact OD1-N 3.06Å
21P81Confident75.9Confident56 Ų5672.6 Ų72.636%0.36439%0.393SS..THydrogen-bonded Turntrans-69.3-9.3-174.826.2-34.6000114.6G19 I23 S24 A25 Y84G19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-I23 VanDerWaalsContact C-N 3.3Å; P21-I23 PolarHBondContact O-N 3.07Å; P21-S24 PolarHBondContact O-N 3.26Å; P21-A25 WeakPolarHBondContact O-CB 3.44Å; P21-A25 PolarHBondContact O-N 3.17Å; P21-Y84 HydrophobicContact CB-CD2 3.98Å; P21-Y84 HydrophobicContact CB-CG 3.88Å
22R84.4Confident77.1Confident184 Ų18472.1 Ų72.169%0.69439%0.394SS*.Hα-helixtrans-55.4-41.7-172.8-70.4174.5-165.9-162.32.5113.1N20 I26N20-R22 PolarHBondContact O-N 3.12Å; N20-R22 VanDerWaalsContact O-N 3.1Å; N20-R22 WeakPolarHBondContact OD1-CB 3.45Å; N20-R22 WeakPolarHBondContact OD1-CD 3.48Å; N20-R22 WeakPolarHBondContact OD1-CG 3.45Å; N20-R22 PolarHBondContact OD1-N 3.06Å; R22-I26 WeakPolarHBondContact O-CB 3.43Å; R22-I26 WeakPolarHBondContact O-CD1 3.38Å; R22-I26 WeakPolarHBondContact O-CG1 3.29Å; R22-I26 PolarHBondContact O-N 2.83Å
23I81.6Confident78.4Confident99 Ų9972.5 Ų72.551%0.50839%0.387SS..Hα-helixtrans-64.9-52.6-178.5-61.9176.1000109.7P21 A25 I26 M27 L295P21-I23 VanDerWaalsContact C-N 3.3Å; P21-I23 PolarHBondContact O-N 3.07Å; I23-A25 VanDerWaalsContact C-N 3.34Å; I23-A25 PolarHBondContact O-N 3.16Å; I23-I26 PolarHBondContact O-N 2.94Å; I23-M27 HydrophobicContact CG2-CG 4.46Å; I23-M27 HydrophobicContact CG2-SD 3.82Å; I23-M27 WeakPolarHBondContact O-CB 3.4Å; I23-M27 VanDerWaalsContact O-CG 3.29Å; I23-M27 WeakPolarHBondContact O-CG 3.4Å; I23-M27 PolarHBondContact O-N 3.02Å; I23-L295 HydrophobicContact CG2-CD2 4.49Å
24S81.3Confident79.2Confident10 Ų1069 Ų697%0.0737%0.369CS..Hα-helixtrans-61.6-38178.1-53.90000112.9P21 M27 F28 V80P21-S24 PolarHBondContact O-N 3.26Å; S24-M27 PolarHBondContact O-N 3.41Å; S24-F28 VanDerWaalsContact O-CB 3.3Å; S24-F28 WeakPolarHBondContact O-CB 3.35Å; S24-F28 PolarHBondContact O-N 3.12Å; S24-V80 WeakPolarHBondContact OG-CG1 3.31Å
25A85.8Confident80.3Confident34 Ų3464.7 Ų64.728%0.28135%0.346SS..Hα-helixtrans-68.2-39.9177.400000112.7P21 I23 S29 L81P21-A25 WeakPolarHBondContact O-CB 3.44Å; P21-A25 PolarHBondContact O-N 3.17Å; I23-A25 VanDerWaalsContact C-N 3.34Å; I23-A25 PolarHBondContact O-N 3.16Å; A25-S29 VanDerWaalsContact O-CB 3.31Å; A25-S29 WeakPolarHBondContact O-CB 3.44Å; A25-S29 PolarHBondContact O-N 3.34Å; A25-S29 PolarHBondContact O-OG 2.78Å; A25-L81 HydrophobicContact CB-CD2 4.04Å
26I87.4Confident81.4Confident117 Ų11763.2 Ų63.260%0.634%0.342SS*.Hα-helixtrans-65.5-46.9173.4-70.1164.9000110.1R22 I23 F28 S29 A30R22-I26 WeakPolarHBondContact O-CB 3.43Å; R22-I26 WeakPolarHBondContact O-CD1 3.38Å; R22-I26 WeakPolarHBondContact O-CG1 3.29Å; R22-I26 PolarHBondContact O-N 2.83Å; I23-I26 PolarHBondContact O-N 2.94Å; I26-F28 PolarHBondContact O-N 3.46Å; I26-S29 PolarHBondContact O-N 3.44Å; I26-A30 VanDerWaalsContact O-CB 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.49Å; I26-A30 PolarHBondContact O-N 3.46Å
27M85.1Confident82.3Confident28 Ų2864.6 Ų64.614%0.13836%0.355CS..Hα-helixtrans-58.1-49.1178-76.2177.87900111.9I23 S24 G31 L295 S298 I302I23-M27 HydrophobicContact CG2-CG 4.46Å; I23-M27 HydrophobicContact CG2-SD 3.82Å; I23-M27 WeakPolarHBondContact O-CB 3.4Å; I23-M27 VanDerWaalsContact O-CG 3.29Å; I23-M27 WeakPolarHBondContact O-CG 3.4Å; I23-M27 PolarHBondContact O-N 3.02Å; S24-M27 PolarHBondContact O-N 3.41Å; M27-G31 PolarHBondContact O-N 3.22Å; M27-L295 HydrophobicContact CE-CD2 4.27Å; M27-L295 HydrophobicContact SD-CD2 3.91Å; M27-S298 WeakPolarHBondContact CE-OG 3.46Å; M27-I302 HydrophobicContact CB-CD1 3.54Å; M27-I302 HydrophobicContact CE-CD1 3.84Å; M27-I302 HydrophobicContact CG-CD1 3.82Å; M27-I302 WeakPolarHBondContact O-CD1 3.45Å
28F86.3Confident83.6Confident54 Ų5458.3 Ų58.324%0.23732%0.321CS..Hα-helixtrans-59.4-50.4176.4176.8-120.3000112.2S24 I26 A30 G31 V32 T73 P78 L81S24-F28 VanDerWaalsContact O-CB 3.3Å; S24-F28 WeakPolarHBondContact O-CB 3.35Å; S24-F28 PolarHBondContact O-N 3.12Å; I26-F28 PolarHBondContact O-N 3.46Å; F28-A30 PolarHBondContact O-N 3.14Å; F28-G31 PolarHBondContact O-N 2.98Å; F28-V32 HydrophobicContact CD2-CG2 3.81Å; F28-V32 HydrophobicContact CE2-CG2 3.46Å; F28-V32 VanDerWaalsContact CE2-CG2 3.46Å; F28-V32 HydrophobicContact CZ-CG2 3.9Å; F28-V32 WeakPolarHBondContact O-CG2 3.39Å; F28-V32 PolarHBondContact O-N 3.27Å; F28-T73 HydrophobicContact CD2-CG2 3.84Å; F28-T73 HydrophobicContact CE2-CG2 4.31Å; F28-P78 HydrophobicContact CE2-CG 4.3Å; F28-P78 HydrophobicContact CZ-CG 4.47Å; F28-L81 HydrophobicContact CB-CD1 4.24Å; F28-L81 HydrophobicContact CD1-CD1 3.63Å; F28-L81 HydrophobicContact CE1-CD1 4.17Å; F28-L81 HydrophobicContact CG-CD1 4.01Å
29S87.8Confident84.9Confident58 Ų5852.1 Ų52.141%0.40629%0.288SS..Hα-helixtrans-61.9-45.5-178.2-56.40000111.4A25 I26 I33A25-S29 VanDerWaalsContact O-CB 3.31Å; A25-S29 WeakPolarHBondContact O-CB 3.44Å; A25-S29 PolarHBondContact O-N 3.34Å; A25-S29 PolarHBondContact O-OG 2.78Å; I26-S29 PolarHBondContact O-N 3.44Å; S29-I33 VanDerWaalsContact O-CB 3.27Å; S29-I33 WeakPolarHBondContact O-CB 3.27Å; S29-I33 WeakPolarHBondContact O-CD1 3.4Å; S29-I33 WeakPolarHBondContact O-CG1 3.29Å; S29-I33 PolarHBondContact O-N 3.32Å
30A88.2Confident86.2Confident28 Ų2855.3 Ų55.323%0.23130%0.298CS..Hα-helixtrans-65.9-37.9177.600000112.5I26 F28 G34 I302 W306I26-A30 VanDerWaalsContact O-CB 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.49Å; I26-A30 PolarHBondContact O-N 3.46Å; F28-A30 PolarHBondContact O-N 3.14Å; A30-G34 WeakPolarHBondContact O-CA 3.03Å; A30-G34 PolarHBondContact O-N 3.27Å; A30-I302 HydrophobicContact CB-CG2 3.8Å; A30-W306 PolarHBondContact O-NE1 3.1Å; A30-W306 VanDerWaalsContact O-NE1 3.11Å
31G87.2Confident86.7Confident0 Ų053 Ų530%029%0.285CS..Hα-helixtrans-67.1-48.3177.300000112.7M27 F28 N35M27-G31 PolarHBondContact O-N 3.22Å; F28-G31 PolarHBondContact O-N 2.98Å; G31-N35 VanDerWaalsContact O-CB 3.31Å; G31-N35 WeakPolarHBondContact O-CB 3.22Å; G31-N35 PolarHBondContact O-N 3.01Å; G31-N35 PolarHBondContact O-ND2 3.08Å
32V90.3Very high86.8Confident39 Ų3950.6 Ų50.624%0.23627%0.269CS..Hα-helixtrans-66.4-47.9179174.40000111.3F28 L36 T73F28-V32 HydrophobicContact CD2-CG2 3.81Å; F28-V32 HydrophobicContact CE2-CG2 3.46Å; F28-V32 VanDerWaalsContact CE2-CG2 3.46Å; F28-V32 HydrophobicContact CZ-CG2 3.9Å; F28-V32 WeakPolarHBondContact O-CG2 3.39Å; F28-V32 PolarHBondContact O-N 3.27Å; V32-L36 WeakPolarHBondContact O-CB 3.28Å; V32-L36 PolarHBondContact O-N 3.38Å; V32-T73 HydrophobicContact CG2-CG2 3.86Å
33I90.8Very high86.7Confident102 Ų10244.1 Ų44.152%0.52325%0.247SC..Hα-helixtrans-63.9-45.5179.9-66.5168.2000110.5S29 A37 W306S29-I33 VanDerWaalsContact O-CB 3.27Å; S29-I33 WeakPolarHBondContact O-CB 3.27Å; S29-I33 WeakPolarHBondContact O-CD1 3.4Å; S29-I33 WeakPolarHBondContact O-CG1 3.29Å; S29-I33 PolarHBondContact O-N 3.32Å; I33-A37 WeakPolarHBondContact O-CB 3.01Å; I33-A37 PolarHBondContact O-N 3Å; I33-W306 HydrophobicContact CG2-CH2 4Å; I33-W306 HydrophobicContact CG2-CZ2 4.25Å
34G87.1Confident86.8Confident0 Ų044.3 Ų44.30%025%0.248CC..Hα-helixtrans-60.3-54.217900000111.9A30 L36 A37 A38A30-G34 WeakPolarHBondContact O-CA 3.03Å; A30-G34 PolarHBondContact O-N 3.27Å; G34-L36 PolarHBondContact O-N 3.02Å; G34-A37 PolarHBondContact O-N 2.95Å; G34-A38 WeakPolarHBondContact O-CB 3.46Å; G34-A38 PolarHBondContact O-N 3.5Å
35N90.3Very high86.5Confident0 Ų045.5 Ų45.50%025%0.251CS..Hα-helixtrans-64.1-42-178.8-76.8-60.8000112.4G31 A37 A38 L39 V66 L70 S301 P305G31-N35 VanDerWaalsContact O-CB 3.31Å; G31-N35 WeakPolarHBondContact O-CB 3.22Å; G31-N35 PolarHBondContact O-N 3.01Å; G31-N35 PolarHBondContact O-ND2 3.08Å; N35-A37 PolarHBondContact O-N 2.97Å; N35-A38 PolarHBondContact O-N 3.49Å; N35-L39 WeakPolarHBondContact O-CG 3.5Å; N35-L39 PolarHBondContact O-N 3.45Å; N35-V66 HydrophobicContact CB-CG1 3.98Å; N35-V66 VanDerWaalsContact O-CG1 3.27Å; N35-V66 WeakPolarHBondContact O-CG1 3.34Å; N35-V66 WeakPolarHBondContact OD1-CG1 3.36Å; N35-L70 HydrophobicContact CB-CB 3.94Å; N35-L70 HydrophobicContact CB-CD1 4.1Å; N35-S301 PolarHBondContact ND2-O 3.34Å; N35-S301 VanDerWaalsContact ND2-O 3.13Å; N35-P305 WeakPolarHBondContact OD1-CG 3.45Å
36L90.6Very high86.1Confident91 Ų9150.8 Ų50.848%0.47626%0.264SS..Hα-helixtrans-63.9-42.7176.6-176.660.2000112V32 G34 A38 L39 I40V32-L36 WeakPolarHBondContact O-CB 3.28Å; V32-L36 PolarHBondContact O-N 3.38Å; G34-L36 PolarHBondContact O-N 3.02Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 2.85Å; L36-L39 PolarHBondContact O-N 3.46Å; L36-I40 HydrophobicContact CD1-CD1 4.27Å; L36-I40 HydrophobicContact CG-CD1 4.02Å; L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.04Å; L36-I40 PolarHBondContact O-N 3.49Å
37A88.1Confident85.6Confident40 Ų4053.8 Ų53.833%0.33127%0.267SS..Hα-helixtrans-62.6-38.3174.800000112.1I33 G34 N35 I40 L41 I309I33-A37 WeakPolarHBondContact O-CB 3.01Å; I33-A37 PolarHBondContact O-N 3Å; G34-A37 PolarHBondContact O-N 2.95Å; N35-A37 PolarHBondContact O-N 2.97Å; A37-I40 PolarHBondContact O-N 3.39Å; A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 PolarHBondContact O-N 3.05Å; A37-I309 HydrophobicContact CB-CD1 3.81Å
38A87.3Confident85Confident0 Ų060.8 Ų60.80%030%0.297CS..Hα-helixtrans-65.6-43.5176.100000111.7G34 N35 L36 L41 L42 V66 P305 F308 I309G34-A38 WeakPolarHBondContact O-CB 3.46Å; G34-A38 PolarHBondContact O-N 3.5Å; N35-A38 PolarHBondContact O-N 3.49Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 2.85Å; A38-L41 PolarHBondContact O-N 2.94Å; A38-L42 WeakPolarHBondContact O-CB 3.48Å; A38-L42 WeakPolarHBondContact O-CD1 3.24Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 3.47Å; A38-V66 HydrophobicContact CB-CG1 3.85Å; A38-V66 HydrophobicContact CB-CG2 4.08Å; A38-P305 HydrophobicContact CB-CB 3.82Å; A38-F308 HydrophobicContact CB-CD1 4.26Å; A38-I309 HydrophobicContact CB-CD1 4.07Å; A38-I309 HydrophobicContact CB-CG1 4.21Å
39L88.1Confident84Confident40 Ų4061.8 Ų61.821%0.20931%0.305CS..Hα-helixtrans-60.9-44.9174-68.9178.8000112.2N35 L36 L41 L42 E43 T63 V66 V67 L70N35-L39 WeakPolarHBondContact O-CG 3.5Å; N35-L39 PolarHBondContact O-N 3.45Å; L36-L39 PolarHBondContact O-N 3.46Å; L39-L41 PolarHBondContact O-N 3.23Å; L39-L42 PolarHBondContact O-N 3.09Å; L39-E43 WeakPolarHBondContact O-CB 3.38Å; L39-E43 PolarHBondContact O-N 3.44Å; L39-T63 HydrophobicContact CD2-CG2 4.28Å; L39-V66 HydrophobicContact CD1-CG1 4.49Å; L39-V66 HydrophobicContact CD2-CB 4.01Å; L39-V66 HydrophobicContact CD2-CG1 3.63Å; L39-V66 HydrophobicContact CG-CG1 3.6Å; L39-V67 HydrophobicContact CD2-CG2 3.95Å; L39-L70 HydrophobicContact CD1-CD2 3.84Å
40I87.3Confident82.6Confident93 Ų9368.1 Ų68.148%0.47733%0.325SS..Hα-helixtrans-61.7-45177.7-68.4166.4000110.5L36 A37 E43 I44L36-I40 HydrophobicContact CD1-CD1 4.27Å; L36-I40 HydrophobicContact CG-CD1 4.02Å; L36-I40 VanDerWaalsContact O-CG1 3.29Å; L36-I40 WeakPolarHBondContact O-CG1 3.04Å; L36-I40 PolarHBondContact O-N 3.49Å; A37-I40 PolarHBondContact O-N 3.39Å; I40-E43 PolarHBondContact O-N 3.27Å; I40-I44 HydrophobicContact CG2-CD1 3.75Å; I40-I44 HydrophobicContact CG2-CG1 4.47Å; I40-I44 VanDerWaalsContact O-CG1 3.27Å; I40-I44 WeakPolarHBondContact O-CG1 3.36Å; I40-I44 PolarHBondContact O-N 2.94Å
41L84.5Confident80.7Confident40 Ų4072.1 Ų72.121%0.20935%0.351CS..Hα-helixtrans-63.3-42176.7-179.661.4000112.3A37 A38 L39 E43 R45 F308 I309A37-L41 WeakPolarHBondContact O-CB 3.44Å; A37-L41 PolarHBondContact O-N 3.05Å; A38-L41 PolarHBondContact O-N 2.94Å; L39-L41 PolarHBondContact O-N 3.23Å; L41-E43 VanDerWaalsContact C-N 3.34Å; L41-R45 WeakPolarHBondContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CG 3.48Å; L41-R45 PolarHBondContact O-N 3.45Å; L41-R45 VanDerWaalsContact O-N 3.09Å; L41-F308 HydrophobicContact CD2-CE1 4.29Å; L41-I309 HydrophobicContact CD2-CG1 4.23Å
42L82.6Confident79.1Confident6 Ų678.8 Ų78.83%0.03138%0.376CS..Hα-helixtrans-62.3-39.7174.8-77.4164.3000111.9A38 L39 R46 H59 V62 V66 F308A38-L42 WeakPolarHBondContact O-CB 3.48Å; A38-L42 WeakPolarHBondContact O-CD1 3.24Å; A38-L42 VanDerWaalsContact O-CG 3.24Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 3.47Å; L39-L42 PolarHBondContact O-N 3.09Å; L42-R46 WeakPolarHBondContact O-CB 3.47Å; L42-R46 PolarHBondContact O-N 3.39Å; L42-H59 PolarHBondContact O-NE2 3.36Å; L42-V62 HydrophobicContact CD1-CG1 4.06Å; L42-V62 HydrophobicContact CD2-CG1 4.04Å; L42-V66 HydrophobicContact CD1-CG2 4.26Å; L42-F308 HydrophobicContact CD1-CE1 4.36Å; L42-F308 HydrophobicContact CD2-CE1 3.84Å; L42-F308 HydrophobicContact CD2-CE2 4.38Å; L42-F308 HydrophobicContact CD2-CZ 3.47Å; L42-F308 VanDerWaalsContact CD2-CZ 3.47Å; L42-F308 HydrophobicContact CG-CE1 3.79Å; L42-F308 HydrophobicContact CG-CZ 3.98Å
43E83.6Confident77Confident48 Ų4885.1 Ų85.122%0.22440%0.404CS..Hα-helixtrans-72.1-44179.8175.859.4-178.500112.3L39 I40 L41 R45 R46 R47L39-E43 WeakPolarHBondContact O-CB 3.38Å; L39-E43 PolarHBondContact O-N 3.44Å; I40-E43 PolarHBondContact O-N 3.27Å; L41-E43 VanDerWaalsContact C-N 3.34Å; E43-R45 VanDerWaalsContact C-N 3.26Å; E43-R45 PolarHBondContact O-N 3.26Å; E43-R46 VanDerWaalsContact CD-NH2 3.28Å; E43-R46 PolarHBondContact O-N 3.11Å; E43-R46 IonicContact OE1-NH2 3.05Å; E43-R46 PolarHBondContact OE1-NH2 2.87Å; E43-R46 VanDerWaalsContact OE1-NH2 3.12Å; E43-R46 IonicContact OE2-CZ 2.99Å; E43-R46 IonicContact OE2-NE 2.72Å; E43-R46 PolarHBondContact OE2-NE 2.81Å; E43-R46 IonicContact OE2-NH2 3.05Å; E43-R46 PolarHBondContact OE2-NH2 3.46Å; E43-R47 WeakPolarHBondContact O-CG 3.29Å; E43-R47 PolarHBondContact O-N 2.97Å; E43-R47 IonicContact OE1-CZ 3.72Å; E43-R47 VanDerWaalsContact OE1-CZ 3.25Å; E43-R47 IonicContact OE1-NE 3.7Å; E43-R47 PolarHBondContact OE1-NE 3.29Å; E43-R47 IonicContact OE1-NH2 2.64Å; E43-R47 PolarHBondContact OE1-NH2 3.48Å
44I82.4Confident75.1Confident103 Ų10389.6 Ų89.653%0.52841%0.414SS..Hα-helixtrans-57.2-43.5173.9-69.6165.9000110I40 R47 K48I40-I44 HydrophobicContact CG2-CD1 3.75Å; I40-I44 HydrophobicContact CG2-CG1 4.47Å; I40-I44 VanDerWaalsContact O-CG1 3.27Å; I40-I44 WeakPolarHBondContact O-CG1 3.36Å; I40-I44 PolarHBondContact O-N 2.94Å; I44-R47 PolarHBondContact O-N 3.41Å; I44-K48 WeakPolarHBondContact O-CB 3.37Å; I44-K48 PolarHBondContact O-N 2.88Å; I44-K48 VanDerWaalsContact O-N 3.07Å
45R76.1Confident73.8Confident35 Ų3592.3 Ų92.313%0.13243%0.428CS..Hα-helixtrans-65.6-46174.1-74.4175.3176.8162.61112.6L41 E43 R47 K48 D49 S312 S314L41-R45 WeakPolarHBondContact O-CB 3.3Å; L41-R45 WeakPolarHBondContact O-CG 3.48Å; L41-R45 PolarHBondContact O-N 3.45Å; L41-R45 VanDerWaalsContact O-N 3.09Å; E43-R45 VanDerWaalsContact C-N 3.26Å; E43-R45 PolarHBondContact O-N 3.26Å; R45-R47 PolarHBondContact O-N 3.4Å; R45-K48 PolarHBondContact O-N 3.09Å; R45-D49 PolarHBondContact O-N 3.45Å; R45-S312 VanDerWaalsContact CZ-OG 3.28Å; R45-S312 PolarHBondContact NH1-OG 2.9Å; R45-S312 PolarHBondContact NH2-OG 2.03Å; R45-S314 PolarHBondContact NH2-OG 2.82Å
46R76.9Confident72.8Confident145 Ų14594.1 Ų94.155%0.54744%0.441SS..Hα-helixtrans-55.5-38.5177.3-169.5176.969.2146.72.8112L42 E43L42-R46 WeakPolarHBondContact O-CB 3.47Å; L42-R46 PolarHBondContact O-N 3.39Å; E43-R46 VanDerWaalsContact CD-NH2 3.28Å; E43-R46 PolarHBondContact O-N 3.11Å; E43-R46 IonicContact OE1-NH2 3.05Å; E43-R46 PolarHBondContact OE1-NH2 2.87Å; E43-R46 VanDerWaalsContact OE1-NH2 3.12Å; E43-R46 IonicContact OE2-CZ 2.99Å; E43-R46 IonicContact OE2-NE 2.72Å; E43-R46 PolarHBondContact OE2-NE 2.81Å; E43-R46 IonicContact OE2-NH2 3.05Å; E43-R46 PolarHBondContact OE2-NH2 3.46Å
47R77.9Confident72.2Confident179 Ų17990.5 Ų90.568%0.67542%0.422SS*.Hα-helixtrans-69.7-41.9174.6-68.7179.8-172.9-155.83.2112.5E43 I44 R45E43-R47 WeakPolarHBondContact O-CG 3.29Å; E43-R47 PolarHBondContact O-N 2.97Å; E43-R47 IonicContact OE1-CZ 3.72Å; E43-R47 VanDerWaalsContact OE1-CZ 3.25Å; E43-R47 IonicContact OE1-NE 3.7Å; E43-R47 PolarHBondContact OE1-NE 3.29Å; E43-R47 IonicContact OE1-NH2 2.64Å; E43-R47 PolarHBondContact OE1-NH2 3.48Å; I44-R47 PolarHBondContact O-N 3.41Å; R45-R47 PolarHBondContact O-N 3.4Å
48K72.1Confident71.8Confident175 Ų17589 Ų8976%0.76141%0.408SS*.Hα-helixtrans-71.3-39.9-179.6-166.4172.7-175.8173.30113.3I44 R45 K50I44-K48 WeakPolarHBondContact O-CB 3.37Å; I44-K48 PolarHBondContact O-N 2.88Å; I44-K48 VanDerWaalsContact O-N 3.07Å; R45-K48 PolarHBondContact O-N 3.09Å; K48-K50 VanDerWaalsContact C-N 3.34Å; K48-K50 PolarHBondContact O-N 2.94Å
49D66Low71.4Confident75 Ų7591.1 Ų91.140%0.40142%0.417SS..G310 helixtrans-89.712.5-177.3-76.9-47.9000114.3R45 S51 R52R45-D49 PolarHBondContact O-N 3.45Å; D49-S51 PolarHBondContact O-N 3.41Å; D49-R52 PolarHBondContact O-N 3.32Å
50K57.7Low71.4Confident192 Ų19291 Ų9184%0.83542%0.418SS*.G310 helixtrans-53.1-20.7169.3-115.6-178.4178-177.30113.3K48K48-K50 VanDerWaalsContact C-N 3.34Å; K48-K50 PolarHBondContact O-N 2.94Å
51S48.9Very low71.4Confident112 Ų11287 Ų8778%0.78340%0.398SS*.G310 helixtrans-83.8-22.8174.3-179.20000114.6D49D49-S51 PolarHBondContact O-N 3.41Å
52R52.5Low71.5Confident139 Ų13985.4 Ų85.453%0.52539%0.39SS..  trans-11282.8-173.4-76.5-176.5168.8-157.7-0.4112D49 R54 E249D49-R52 PolarHBondContact O-N 3.32Å; R52-R54 PolarHBondContact O-N 2.9Å; R52-E249 IonicContact NH1-OE1 2.86Å; R52-E249 PolarHBondContact NH1-OE1 3.23Å; R52-E249 IonicContact NH1-OE2 3.25Å; R52-E249 PolarHBondContact NH1-OE2 2.92Å
53Q47.1Very low71.8Confident173 Ų17387 Ų8781%0.80840%0.4SS*.THydrogen-bonded Turntrans-64.45.8-163.1-144.7171.58.400118.6
54R50.4Low72.2Confident196 Ų19685.6 Ų85.674%0.7440%0.395SS*.THydrogen-bonded Turntrans-101.6-17-158.3-158.5175.6-71.3-172.7-3117.6R52R52-R54 PolarHBondContact O-N 2.9Å
55L58.8Low72.6Confident57 Ų5781 Ų8130%0.29837%0.371SS..  trans-111.522.1-171.3-113.185000116.5L57 H59L55-L57 PolarHBondContact O-N 2.91Å; L55-H59 PolarHBondContact O-N 3.28Å
56S69.9Low73.3Confident37 Ų3779.4 Ų79.426%0.25937%0.365SS..Hα-helixtrans-70.6-25.7-166.763.30000116.6V60 K143S56-V60 WeakPolarHBondContact O-CB 3.36Å; S56-V60 VanDerWaalsContact O-CG2 3.25Å; S56-V60 WeakPolarHBondContact O-CG2 3.41Å; S56-V60 PolarHBondContact O-N 3.4Å; S56-K143 VanDerWaalsContact OG-CD 3.22Å; S56-K143 WeakPolarHBondContact OG-CD 3.43Å; S56-K143 WeakPolarHBondContact OG-CE 3.3Å; S56-K143 PolarHBondContact OG-NZ 3.25Å
57L78.1Confident74.1Confident15 Ų1575 Ų758%0.07936%0.355CS..Hα-helixtrans-71.7-49-179.2-83.7172.2000111.8L55 H59 V60 L61 V141L55-L57 PolarHBondContact O-N 2.91Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 2.94Å; L57-V60 PolarHBondContact O-N 3.45Å; L57-V60 VanDerWaalsContact O-N 3.15Å; L57-L61 WeakPolarHBondContact O-CG 3.25Å; L57-L61 PolarHBondContact O-N 2.86Å; L57-V141 HydrophobicContact CD1-CG1 3.46Å; L57-V141 VanDerWaalsContact CD1-CG1 3.46Å
58F79.3Confident74.8Confident10 Ų1066.5 Ų66.54%0.04432%0.322CS..Hα-helixtrans-57.2-42.6172178.7-93.3000112.4V60 L61 V62 M123 H253 L257F58-V60 VanDerWaalsContact C-N 3.34Å; F58-V60 PolarHBondContact O-N 3.25Å; F58-L61 PolarHBondContact O-N 3Å; F58-V62 HydrophobicContact CD1-CG2 4.08Å; F58-V62 HydrophobicContact CD2-CG2 4.31Å; F58-V62 HydrophobicContact CE1-CG2 3.65Å; F58-V62 HydrophobicContact CE2-CG2 3.92Å; F58-V62 HydrophobicContact CG-CG2 4.38Å; F58-V62 HydrophobicContact CZ-CG2 3.57Å; F58-V62 WeakPolarHBondContact O-CB 3.12Å; F58-V62 WeakPolarHBondContact O-CG2 3.41Å; F58-V62 PolarHBondContact O-N 3.18Å; F58-M123 HydrophobicContact CE2-SD 4.46Å; F58-H253 HydrophobicContact CE1-CB 4.3Å; F58-H253 AromaticContact CE1-CE1 3.78Å; F58-H253 AromaticContact CE1-CG 3.87Å; F58-H253 AromaticContact CE1-ND1 3.26Å; F58-H253 VanDerWaalsContact CE1-ND1 3.26Å; F58-H253 WeakPolarHBondContact CE1-ND1 3.44Å; F58-H253 HydrophobicContact CZ-CB 4.15Å; F58-H253 AromaticContact CZ-ND1 3.74Å; F58-L257 HydrophobicContact CE2-CD1 4.35Å
59H80.2Confident75.8Confident43 Ų4358.2 Ų58.220%0.19929%0.286CS..Hα-helixtrans-60.7-42.2175-176.7-81000112.3L42 L55 L57 T63L42-H59 PolarHBondContact O-NE2 3.36Å; L55-H59 PolarHBondContact O-N 3.28Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 2.94Å; H59-T63 PolarHBondContact CE1-OG1 3.24Å; H59-T63 WeakPolarHBondContact O-CB 3.19Å; H59-T63 PolarHBondContact O-N 2.9Å; H59-T63 PolarHBondContact O-OG1 3.48Å
60V86.5Confident77Confident38 Ų3856.4 Ų56.423%0.2328%0.276CS..Hα-helixtrans-62.7-48.9174.8164.20000111.1S56 L57 F58 T63 T64 I150S56-V60 WeakPolarHBondContact O-CB 3.36Å; S56-V60 VanDerWaalsContact O-CG2 3.25Å; S56-V60 WeakPolarHBondContact O-CG2 3.41Å; S56-V60 PolarHBondContact O-N 3.4Å; L57-V60 PolarHBondContact O-N 3.45Å; L57-V60 VanDerWaalsContact O-N 3.15Å; F58-V60 VanDerWaalsContact C-N 3.34Å; F58-V60 PolarHBondContact O-N 3.25Å; V60-T63 PolarHBondContact O-N 3.26Å; V60-T64 PolarHBondContact O-N 2.88Å; V60-T64 PolarHBondContact O-OG1 3.1Å; V60-I150 HydrophobicContact CG1-CD1 3.61Å
61L88.4Confident78.7Confident9 Ų951.5 Ų51.55%0.04726%0.258CS..Hα-helixtrans-63.3-42.8179.7-68.8170.8000112.9L57 F58 T63 T64 L65 A122 M123 E126 I150L57-L61 WeakPolarHBondContact O-CG 3.25Å; L57-L61 PolarHBondContact O-N 2.86Å; F58-L61 PolarHBondContact O-N 3Å; L61-T63 VanDerWaalsContact C-N 3.33Å; L61-T64 WeakPolarHBondContact O-CB 3.19Å; L61-T64 PolarHBondContact O-N 3.44Å; L61-L65 PolarHBondContact O-N 3Å; L61-A122 HydrophobicContact CD2-CB 4.22Å; L61-M123 HydrophobicContact CB-CG 3.48Å; L61-M123 VanDerWaalsContact CB-CG 3.48Å; L61-M123 HydrophobicContact CB-SD 4.01Å; L61-M123 HydrophobicContact CD1-CG 3.85Å; L61-M123 HydrophobicContact CG-CG 4.24Å; L61-E126 HydrophobicContact CD1-CB 4.26Å; L61-E126 HydrophobicContact CD1-CG 4.41Å; L61-I150 HydrophobicContact CD2-CG1 4.31Å
62V86.4Confident80.8Confident6 Ų646.6 Ų46.64%0.03622%0.224CC..Hα-helixtrans-65.7-37.2174.8175.30000111.1L42 F58 T64 L65 V66 M123 F308L42-V62 HydrophobicContact CD1-CG1 4.06Å; L42-V62 HydrophobicContact CD2-CG1 4.04Å; F58-V62 HydrophobicContact CD1-CG2 4.08Å; F58-V62 HydrophobicContact CD2-CG2 4.31Å; F58-V62 HydrophobicContact CE1-CG2 3.65Å; F58-V62 HydrophobicContact CE2-CG2 3.92Å; F58-V62 HydrophobicContact CG-CG2 4.38Å; F58-V62 HydrophobicContact CZ-CG2 3.57Å; F58-V62 WeakPolarHBondContact O-CB 3.12Å; F58-V62 WeakPolarHBondContact O-CG2 3.41Å; F58-V62 PolarHBondContact O-N 3.18Å; V62-T64 VanDerWaalsContact C-N 3.34Å; V62-L65 WeakPolarHBondContact O-CB 3.49Å; V62-L65 PolarHBondContact O-N 3.1Å; V62-V66 WeakPolarHBondContact O-CG2 3.42Å; V62-V66 PolarHBondContact O-N 2.95Å; V62-V66 VanDerWaalsContact O-N 3.08Å; V62-M123 HydrophobicContact CB-SD 4.4Å; V62-M123 HydrophobicContact CG2-SD 3.49Å; V62-M123 WeakPolarHBondContact CG2-SD 3.5Å; V62-F308 HydrophobicContact CG1-CD2 3.92Å; V62-F308 HydrophobicContact CG1-CE2 3.75Å; V62-F308 HydrophobicContact CG1-CG 4.43Å; V62-F308 HydrophobicContact CG1-CZ 4.13Å
63T88.1Confident82.6Confident40 Ų4040.5 Ų40.525%0.24520%0.203CC..Hα-helixtrans-64.8-41.4173.6-550000110.7L39 H59 V60 L61 V66 V67L39-T63 HydrophobicContact CD2-CG2 4.28Å; H59-T63 PolarHBondContact CE1-OG1 3.24Å; H59-T63 WeakPolarHBondContact O-CB 3.19Å; H59-T63 PolarHBondContact O-N 2.9Å; H59-T63 PolarHBondContact O-OG1 3.48Å; V60-T63 PolarHBondContact O-N 3.26Å; L61-T63 VanDerWaalsContact C-N 3.33Å; T63-V66 PolarHBondContact O-N 2.96Å; T63-V67 HydrophobicContact CG2-CG2 4.43Å; T63-V67 WeakPolarHBondContact O-CB 3.26Å; T63-V67 VanDerWaalsContact O-CG2 3.27Å; T63-V67 WeakPolarHBondContact O-CG2 3.29Å; T63-V67 PolarHBondContact O-N 3.46Å
64T91.6Very high84.7Confident19 Ų1935.1 Ų35.112%0.11718%0.183CC..Hα-helixtrans-60.9-45.2174.8-59.90000111.5V60 L61 V62 V67 T68 V119 I150 Y154V60-T64 PolarHBondContact O-N 2.88Å; V60-T64 PolarHBondContact O-OG1 3.1Å; L61-T64 WeakPolarHBondContact O-CB 3.19Å; L61-T64 PolarHBondContact O-N 3.44Å; V62-T64 VanDerWaalsContact C-N 3.34Å; T64-V67 PolarHBondContact O-N 2.85Å; T64-T68 WeakPolarHBondContact O-CB 3.44Å; T64-T68 PolarHBondContact O-N 2.87Å; T64-T68 PolarHBondContact O-OG1 3.03Å; T64-V119 HydrophobicContact CG2-CG2 4.07Å; T64-I150 HydrophobicContact CG2-CD1 4.28Å; T64-I150 HydrophobicContact CG2-CG1 4.2Å; T64-I150 HydrophobicContact CG2-CG2 3.88Å; T64-I150 VanDerWaalsContact OG1-CD1 3.26Å; T64-I150 WeakPolarHBondContact OG1-CD1 3.47Å; T64-Y154 HydrophobicContact CG2-CE2 3.9Å; T64-Y154 WeakPolarHBondContact CG2-OH 3.47Å
65L91.6Very high86.7Confident5 Ų528.7 Ų28.73%0.02616%0.163CC..Hα-helixtrans-54.1-58.9174.9-177.974.7000110.9L61 V62 V67 T68 D69 T116 V119 L120 M123L61-L65 PolarHBondContact O-N 3Å; V62-L65 WeakPolarHBondContact O-CB 3.49Å; V62-L65 PolarHBondContact O-N 3.1Å; L65-V67 VanDerWaalsContact C-N 3.28Å; L65-V67 PolarHBondContact O-N 2.9Å; L65-T68 WeakPolarHBondContact O-CA 3.25Å; L65-T68 VanDerWaalsContact O-CB 3.24Å; L65-T68 WeakPolarHBondContact O-CB 3.37Å; L65-T68 PolarHBondContact O-N 3.15Å; L65-D69 PolarHBondContact O-N 3.04Å; L65-T116 HydrophobicContact CD1-CG2 3.79Å; L65-V119 HydrophobicContact CB-CG1 3.97Å; L65-V119 HydrophobicContact CD1-CG1 4.31Å; L65-L120 HydrophobicContact CD1-CD2 4.47Å; L65-L120 HydrophobicContact CD1-CG 4.07Å; L65-L120 HydrophobicContact CD2-CD2 4.37Å; L65-M123 HydrophobicContact CB-CE 4.39Å; L65-M123 HydrophobicContact CD2-CE 3.8Å; L65-M123 HydrophobicContact CG-CE 4.47Å
66V91.8Very high88.1Confident2 Ų226.5 Ų26.51%0.01215%0.152CC..Hα-helixtrans-62.4-33.4-177.1178.60000112.3N35 A38 L39 L42 V62 T63 L70N35-V66 HydrophobicContact CB-CG1 3.98Å; N35-V66 VanDerWaalsContact O-CG1 3.27Å; N35-V66 WeakPolarHBondContact O-CG1 3.34Å; N35-V66 WeakPolarHBondContact OD1-CG1 3.36Å; A38-V66 HydrophobicContact CB-CG1 3.85Å; A38-V66 HydrophobicContact CB-CG2 4.08Å; L39-V66 HydrophobicContact CD1-CG1 4.49Å; L39-V66 HydrophobicContact CD2-CB 4.01Å; L39-V66 HydrophobicContact CD2-CG1 3.63Å; L39-V66 HydrophobicContact CG-CG1 3.6Å; L42-V66 HydrophobicContact CD1-CG2 4.26Å; V62-V66 WeakPolarHBondContact O-CG2 3.42Å; V62-V66 PolarHBondContact O-N 2.95Å; V62-V66 VanDerWaalsContact O-N 3.08Å; T63-V66 PolarHBondContact O-N 2.96Å; V66-L70 VanDerWaalsContact O-CB 3.24Å; V66-L70 WeakPolarHBondContact O-CB 3.47Å; V66-L70 PolarHBondContact O-N 3.24Å
67V92.8Very high89Confident54 Ų5425.9 Ų25.933%0.32715%0.148SC..Hα-helixtrans-67.9-38.1171.61700000111.4L39 T63 T64 L65 M71L39-V67 HydrophobicContact CD2-CG2 3.95Å; T63-V67 HydrophobicContact CG2-CG2 4.43Å; T63-V67 WeakPolarHBondContact O-CB 3.26Å; T63-V67 VanDerWaalsContact O-CG2 3.27Å; T63-V67 WeakPolarHBondContact O-CG2 3.29Å; T63-V67 PolarHBondContact O-N 3.46Å; T64-V67 PolarHBondContact O-N 2.85Å; L65-V67 VanDerWaalsContact C-N 3.28Å; L65-V67 PolarHBondContact O-N 2.9Å; V67-M71 HydrophobicContact CG1-CG 4.36Å; V67-M71 HydrophobicContact CG1-SD 3.97Å; V67-M71 WeakPolarHBondContact O-CB 3.48Å; V67-M71 VanDerWaalsContact O-CG 3.24Å; V67-M71 WeakPolarHBondContact O-CG 3.27Å; V67-M71 PolarHBondContact O-N 2.93Å
68T93.7Very high89.5Confident0 Ų027.6 Ų27.60%016%0.16CC..Hα-helixtrans-64.9-48.9177.9-53.50000110.8T64 L65 L70 M71 G72 F112 A115 T116 Y154T64-T68 WeakPolarHBondContact O-CB 3.44Å; T64-T68 PolarHBondContact O-N 2.87Å; T64-T68 PolarHBondContact O-OG1 3.03Å; L65-T68 WeakPolarHBondContact O-CA 3.25Å; L65-T68 VanDerWaalsContact O-CB 3.24Å; L65-T68 WeakPolarHBondContact O-CB 3.37Å; L65-T68 PolarHBondContact O-N 3.15Å; T68-L70 PolarHBondContact O-N 3.41Å; T68-M71 PolarHBondContact O-N 3.34Å; T68-G72 PolarHBondContact O-N 2.97Å; T68-F112 HydrophobicContact CG2-CD1 3.8Å; T68-A115 HydrophobicContact CG2-CB 4.05Å; T68-T116 WeakPolarHBondContact CG2-OG1 3.39Å; T68-Y154 PolarHBondContact OG1-OH 2.93Å
69D92.2Very high89.8Confident0 Ų029.7 Ų29.70%017%0.17CC..Hα-helixtrans-65.6-38179.5-67.3-37.4000111.8L65 T73 T116 S301L65-D69 PolarHBondContact O-N 3.04Å; D69-T73 VanDerWaalsContact O-CB 3.29Å; D69-T73 WeakPolarHBondContact O-CB 3.29Å; D69-T73 PolarHBondContact O-N 2.99Å; D69-T73 PolarHBondContact O-OG1 3.3Å; D69-T116 PolarHBondContact OD1-OG1 2.91Å; D69-S301 WeakPolarHBondContact OD1-CB 3.37Å; D69-S301 PolarHBondContact OD1-OG 2.97Å
70L92.1Very high90.2Very high37 Ų3727.9 Ų27.919%0.19416%0.161CC..Hα-helixtrans-64.7-46.5171.9-176.260.8000111.8N35 L39 V66 T68 T73 C74N35-L70 HydrophobicContact CB-CB 3.94Å; N35-L70 HydrophobicContact CB-CD1 4.1Å; L39-L70 HydrophobicContact CD1-CD2 3.84Å; V66-L70 VanDerWaalsContact O-CB 3.24Å; V66-L70 WeakPolarHBondContact O-CB 3.47Å; V66-L70 PolarHBondContact O-N 3.24Å; T68-L70 PolarHBondContact O-N 3.41Å; L70-T73 PolarHBondContact O-N 3.05Å; L70-C74 WeakPolarHBondContact O-CB 3.38Å; L70-C74 PolarHBondContact O-N 3.34Å; L70-C74 PolarHBondContact O-SG 3.2Å; L70-C74 VanDerWaalsContact O-SG 3.37Å
71M93Very high90.2Very high90 Ų9028.2 Ų28.244%0.44316%0.162SC..Hα-helixtrans-60.5-47.3177.4-77.3178.772.800111.2V67 T68 C74 L75 F112V67-M71 HydrophobicContact CG1-CG 4.36Å; V67-M71 HydrophobicContact CG1-SD 3.97Å; V67-M71 WeakPolarHBondContact O-CB 3.48Å; V67-M71 VanDerWaalsContact O-CG 3.24Å; V67-M71 WeakPolarHBondContact O-CG 3.27Å; V67-M71 PolarHBondContact O-N 2.93Å; T68-M71 PolarHBondContact O-N 3.34Å; M71-C74 PolarHBondContact O-N 3.31Å; M71-L75 HydrophobicContact CB-CD1 4.4Å; M71-L75 VanDerWaalsContact O-CB 3.26Å; M71-L75 WeakPolarHBondContact O-CB 3.46Å; M71-L75 WeakPolarHBondContact O-CD1 3.5Å; M71-L75 WeakPolarHBondContact O-CG 3.27Å; M71-L75 PolarHBondContact O-N 3.35Å; M71-F112 HydrophobicContact CB-CE1 3.75Å; M71-F112 HydrophobicContact CB-CZ 3.99Å
72G91.4Very high90.1Very high8 Ų829 Ų298%0.08217%0.169CC..Hα-helixtrans-59.5-47.4175.500000112.4T68 C74 L75 V76 F112T68-G72 PolarHBondContact O-N 2.97Å; G72-C74 VanDerWaalsContact C-N 3.34Å; G72-C74 PolarHBondContact O-N 3.5Å; G72-L75 PolarHBondContact O-N 3.29Å; G72-V76 VanDerWaalsContact O-CB 3.3Å; G72-V76 WeakPolarHBondContact O-CB 3.42Å; G72-V76 WeakPolarHBondContact O-CG2 3.28Å; G72-V76 PolarHBondContact O-N 2.94Å; G72-F112 VanDerWaalsContact CA-CD2 3.41Å
73T90.6Very high90.1Very high11 Ų1128.7 Ų28.77%0.06717%0.168CC..Hα-helixtrans-57.7-46176-57.10000111.5F28 V32 D69 L70 S77F28-T73 HydrophobicContact CD2-CG2 3.84Å; F28-T73 HydrophobicContact CE2-CG2 4.31Å; V32-T73 HydrophobicContact CG2-CG2 3.86Å; D69-T73 VanDerWaalsContact O-CB 3.29Å; D69-T73 WeakPolarHBondContact O-CB 3.29Å; D69-T73 PolarHBondContact O-N 2.99Å; D69-T73 PolarHBondContact O-OG1 3.3Å; L70-T73 PolarHBondContact O-N 3.05Å; T73-S77 WeakPolarHBondContact O-CB 3.38Å; T73-S77 PolarHBondContact O-N 2.89Å; T73-S77 PolarHBondContact O-OG 3.21Å; T73-S77 VanDerWaalsContact O-OG 3.07Å
74C91.3Very high89.9Confident60 Ų6028.2 Ų28.241%0.40516%0.162SC..Hα-helixtrans-74.3-25.9-179.2-71.10000114.3L70 M71 G72 P78L70-C74 WeakPolarHBondContact O-CB 3.38Å; L70-C74 PolarHBondContact O-N 3.34Å; L70-C74 PolarHBondContact O-SG 3.2Å; L70-C74 VanDerWaalsContact O-SG 3.37Å; M71-C74 PolarHBondContact O-N 3.31Å; G72-C74 VanDerWaalsContact C-N 3.34Å; G72-C74 PolarHBondContact O-N 3.5Å; C74-P78 VanDerWaalsContact O-CD 3.23Å; C74-P78 WeakPolarHBondContact O-CD 3.23Å; C74-P78 VanDerWaalsContact O-CG 3.26Å; C74-P78 WeakPolarHBondContact O-CG 3.38Å
75L91.9Very high89.6Confident61 Ų6131.1 Ų31.132%0.31918%0.182SC..Hα-helixtrans-93.3-17.9-178.9-67.7168000113.4M71 G72 F79 F112M71-L75 HydrophobicContact CB-CD1 4.4Å; M71-L75 VanDerWaalsContact O-CB 3.26Å; M71-L75 WeakPolarHBondContact O-CB 3.46Å; M71-L75 WeakPolarHBondContact O-CD1 3.5Å; M71-L75 WeakPolarHBondContact O-CG 3.27Å; M71-L75 PolarHBondContact O-N 3.35Å; G72-L75 PolarHBondContact O-N 3.29Å; L75-F79 WeakPolarHBondContact O-CD2 3.21Å; L75-F79 WeakPolarHBondContact O-CE2 3.45Å; L75-F112 HydrophobicContact CB-CE2 4.29Å; L75-F112 HydrophobicContact CD1-CE2 3.72Å; L75-F112 HydrophobicContact CD1-CZ 3.54Å
76V90.2Very high89.2Confident11 Ų1137.8 Ų37.87%0.06721%0.211CC..Hα-helixtrans-104.7-53179.1177.60000111.5G72 F79 F105 C108 M109G72-V76 VanDerWaalsContact O-CB 3.3Å; G72-V76 WeakPolarHBondContact O-CB 3.42Å; G72-V76 WeakPolarHBondContact O-CG2 3.28Å; G72-V76 PolarHBondContact O-N 2.94Å; V76-F79 PolarHBondContact O-N 3.41Å; V76-F105 HydrophobicContact CB-CE2 4.48Å; V76-F105 HydrophobicContact CG1-CD2 4.15Å; V76-F105 HydrophobicContact CG1-CE1 4.19Å; V76-F105 HydrophobicContact CG1-CE2 3.43Å; V76-F105 VanDerWaalsContact CG1-CE2 3.43Å; V76-F105 HydrophobicContact CG1-CZ 3.47Å; V76-F105 VanDerWaalsContact CG1-CZ 3.47Å; V76-C108 HydrophobicContact CG2-CB 3.87Å; V76-M109 HydrophobicContact CG1-CG 4.05Å; V76-M109 HydrophobicContact CG1-SD 3.78Å; V76-M109 HydrophobicContact CG2-CG 4.22Å; V76-M109 HydrophobicContact CG2-SD 4.32Å
77S87.4Confident88.8Confident24 Ų2442.1 Ų42.117%0.16824%0.235CC..Hα-helixtrans-64.7-36.1-167.6-54.70000115.8T73 F79 V80 L81T73-S77 WeakPolarHBondContact O-CB 3.38Å; T73-S77 PolarHBondContact O-N 2.89Å; T73-S77 PolarHBondContact O-OG 3.21Å; T73-S77 VanDerWaalsContact O-OG 3.07Å; S77-F79 VanDerWaalsContact C-N 3.25Å; S77-F79 PolarHBondContact O-N 3.41Å; S77-V80 WeakPolarHBondContact O-CB 3.44Å; S77-V80 PolarHBondContact O-N 3.07Å; S77-L81 WeakPolarHBondContact O-CG 3.38Å; S77-L81 PolarHBondContact O-N 3.14Å
78P88.8Confident88.3Confident52 Ų5241 Ų4134%0.33823%0.228SC..Hα-helixtrans-60.8-32.6176.8-27.538.3000113.5F28 C74 L81 A82F28-P78 HydrophobicContact CE2-CG 4.3Å; F28-P78 HydrophobicContact CZ-CG 4.47Å; C74-P78 VanDerWaalsContact O-CD 3.23Å; C74-P78 WeakPolarHBondContact O-CD 3.23Å; C74-P78 VanDerWaalsContact O-CG 3.26Å; C74-P78 WeakPolarHBondContact O-CG 3.38Å; P78-L81 PolarHBondContact O-N 3.36Å; P78-A82 VanDerWaalsContact O-CB 3.28Å; P78-A82 WeakPolarHBondContact O-CB 3.32Å; P78-A82 PolarHBondContact O-N 3.13Å
79F86.7Confident87.8Confident54 Ų5441 Ų4124%0.23723%0.228CC..Hα-helixtrans-68.1-41.1175.2-66-86000111.7L75 V76 S77 L81 A82 A83 M101 Y104 F105L75-F79 WeakPolarHBondContact O-CD2 3.21Å; L75-F79 WeakPolarHBondContact O-CE2 3.45Å; V76-F79 PolarHBondContact O-N 3.41Å; S77-F79 VanDerWaalsContact C-N 3.25Å; S77-F79 PolarHBondContact O-N 3.41Å; F79-L81 VanDerWaalsContact C-N 3.32Å; F79-L81 PolarHBondContact O-N 3.3Å; F79-A82 PolarHBondContact O-N 2.91Å; F79-A83 WeakPolarHBondContact O-CB 3.31Å; F79-A83 PolarHBondContact O-N 2.99Å; F79-M101 HydrophobicContact CD1-SD 4.29Å; F79-M101 HydrophobicContact CE1-CE 4.17Å; F79-M101 HydrophobicContact CE1-SD 3.88Å; F79-Y104 HydrophobicContact CD2-CE1 4.42Å; F79-Y104 AromaticContact CE2-CE1 3.74Å; F79-Y104 HydrophobicContact CE2-CE1 3.74Å; F79-Y104 AromaticContact CZ-CE1 3.94Å; F79-Y104 HydrophobicContact CZ-CE1 3.94Å; F79-F105 HydrophobicContact CB-CD2 4.26Å; F79-F105 HydrophobicContact CB-CE2 4.49Å
80V86.9Confident87.3Confident4 Ų441 Ų412%0.02423%0.228CC..Hα-helixtrans-60.1-43.5173.7-172.90000110.9S24 S77 A83 Y84 F105S24-V80 WeakPolarHBondContact OG-CG1 3.31Å; S77-V80 WeakPolarHBondContact O-CB 3.44Å; S77-V80 PolarHBondContact O-N 3.07Å; V80-A83 PolarHBondContact O-N 3.33Å; V80-Y84 HydrophobicContact CG1-CD2 4.13Å; V80-Y84 HydrophobicContact CG1-CE2 3.77Å; V80-Y84 WeakPolarHBondContact O-CD2 3.47Å; V80-Y84 PolarHBondContact O-N 3.08Å; V80-F105 HydrophobicContact CG2-CE2 3.57Å; V80-F105 HydrophobicContact CG2-CZ 3.75Å
81L86.7Confident86.8Confident46 Ų4641.1 Ų41.124%0.24123%0.228CC..Hα-helixtrans-69.4-39.9178.1-66.8174.7000112.4A25 F28 S77 P78 F79 A83 Y84 S85A25-L81 HydrophobicContact CB-CD2 4.04Å; F28-L81 HydrophobicContact CB-CD1 4.24Å; F28-L81 HydrophobicContact CD1-CD1 3.63Å; F28-L81 HydrophobicContact CE1-CD1 4.17Å; F28-L81 HydrophobicContact CG-CD1 4.01Å; S77-L81 WeakPolarHBondContact O-CG 3.38Å; S77-L81 PolarHBondContact O-N 3.14Å; P78-L81 PolarHBondContact O-N 3.36Å; F79-L81 VanDerWaalsContact C-N 3.32Å; F79-L81 PolarHBondContact O-N 3.3Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-Y84 PolarHBondContact O-N 3.19Å; L81-S85 PolarHBondContact O-N 3.02Å
82A86.5Confident86.2Confident25 Ų2538.9 Ų38.921%0.20722%0.222CC..Hα-helixtrans-59.7-45.6174.200000110.9P78 F79 Y84 S85 F86 M93P78-A82 VanDerWaalsContact O-CB 3.28Å; P78-A82 WeakPolarHBondContact O-CB 3.32Å; P78-A82 PolarHBondContact O-N 3.13Å; F79-A82 PolarHBondContact O-N 2.91Å; A82-Y84 PolarHBondContact O-N 3.37Å; A82-S85 WeakPolarHBondContact CA-OG 3.37Å; A82-S85 PolarHBondContact O-N 3.47Å; A82-S85 PolarHBondContact O-OG 2.95Å; A82-F86 HydrophobicContact CB-CD2 4.25Å; A82-F86 HydrophobicContact CB-CE2 4.17Å; A82-F86 WeakPolarHBondContact O-CD2 3.24Å; A82-F86 PolarHBondContact O-N 2.87Å; A82-M93 HydrophobicContact CB-CE 3.88Å
83A86.1Confident85.5Confident0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-56-50.317800000111.1I16 F79 V80 L81 S85 F86 N87 T88 I90 M93 T178I16-A83 VanDerWaalsContact CD1-C 3.48Å; I16-A83 HydrophobicContact CD1-CB 4.1Å; I16-A83 VanDerWaalsContact CD1-O 3.25Å; I16-A83 WeakPolarHBondContact CD1-O 3.4Å; F79-A83 WeakPolarHBondContact O-CB 3.31Å; F79-A83 PolarHBondContact O-N 2.99Å; V80-A83 PolarHBondContact O-N 3.33Å; L81-A83 VanDerWaalsContact C-N 3.34Å; A83-S85 VanDerWaalsContact C-N 3.31Å; A83-S85 PolarHBondContact O-N 3.47Å; A83-F86 PolarHBondContact O-N 2.94Å; A83-N87 WeakPolarHBondContact O-CA 3.33Å; A83-N87 PolarHBondContact O-N 2.88Å; A83-T88 WeakPolarHBondContact CA-O 3.49Å; A83-T88 WeakPolarHBondContact CB-O 3.34Å; A83-T88 PolarHBondContact O-N 2.89Å; A83-I90 HydrophobicContact CB-CG1 4.37Å; A83-M93 HydrophobicContact CB-CE 3.55Å; A83-T178 HydrophobicContact CB-CG2 3.87Å
84Y84.6Confident85Confident30 Ų3044.5 Ų44.512%0.11825%0.247CC..Hα-helixtrans-64.4-29.4174.4-73.4-60000114.2I16 P21 V80 L81 A82 N87 T178I16-Y84 HydrophobicContact CD1-CD1 4.21Å; I16-Y84 HydrophobicContact CG2-CD1 4.39Å; I16-Y84 HydrophobicContact CG2-CE1 4.21Å; P21-Y84 HydrophobicContact CB-CD2 3.98Å; P21-Y84 HydrophobicContact CB-CG 3.88Å; V80-Y84 HydrophobicContact CG1-CD2 4.13Å; V80-Y84 HydrophobicContact CG1-CE2 3.77Å; V80-Y84 WeakPolarHBondContact O-CD2 3.47Å; V80-Y84 PolarHBondContact O-N 3.08Å; L81-Y84 PolarHBondContact O-N 3.19Å; A82-Y84 PolarHBondContact O-N 3.37Å; Y84-N87 PolarHBondContact O-OD1 3.36Å; Y84-T178 HydrophobicContact CD1-CG2 4.15Å; Y84-T178 HydrophobicContact CD2-CG2 4.32Å; Y84-T178 HydrophobicContact CE1-CG2 3.78Å; Y84-T178 HydrophobicContact CE2-CG2 3.99Å; Y84-T178 HydrophobicContact CG-CG2 4.38Å; Y84-T178 PolarHBondContact OH-OG1 2.9Å; Y84-T178 VanDerWaalsContact OH-OG1 3.08Å
85S85Confident84.3Confident79 Ų7949.7 Ų49.755%0.55227%0.271SS*.Hα-helixtrans-76.5-31.2177.870.10000113.7L81 A82 A83L81-S85 PolarHBondContact O-N 3.02Å; A82-S85 WeakPolarHBondContact CA-OG 3.37Å; A82-S85 PolarHBondContact O-N 3.47Å; A82-S85 PolarHBondContact O-OG 2.95Å; A83-S85 VanDerWaalsContact C-N 3.31Å; A83-S85 PolarHBondContact O-N 3.47Å
86F83.7Confident83.5Confident145 Ų14548.6 Ų48.664%0.63627%0.268SS*.Hα-helixtrans-95.6-8.3179.4-63.5-57.7000113.3A82 A83 T88A82-F86 HydrophobicContact CB-CD2 4.25Å; A82-F86 HydrophobicContact CB-CE2 4.17Å; A82-F86 WeakPolarHBondContact O-CD2 3.24Å; A82-F86 PolarHBondContact O-N 2.87Å; A83-F86 PolarHBondContact O-N 2.94Å; F86-T88 HydrophobicContact CB-CG2 4.46Å; F86-T88 WeakPolarHBondContact CB-OG1 3.49Å; F86-T88 PolarHBondContact O-N 3.46Å
87N82.6Confident82.8Confident94 Ų9455.9 Ų55.950%0.50331%0.307SS..THydrogen-bonded Turntrans55.425.9-171.7-60-52.3000113.7H15 I16 A83 Y84H15-N87 WeakPolarHBondContact CA-O 3.49Å; H15-N87 PolarHBondContact ND1-O 3.43Å; I16-N87 PolarHBondContact N-O 3.42Å; A83-N87 WeakPolarHBondContact O-CA 3.33Å; A83-N87 PolarHBondContact O-N 2.88Å; Y84-N87 PolarHBondContact O-OD1 3.36Å
88T82.4Confident82.3Confident30 Ų3058.2 Ų58.218%0.18432%0.322CS..BIsolated β-bridgetrans-111146177.452.20000110.1I16 A83 F86I16-T88 WeakPolarHBondContact CD1-O 3.45Å; A83-T88 WeakPolarHBondContact CA-O 3.49Å; A83-T88 WeakPolarHBondContact CB-O 3.34Å; A83-T88 PolarHBondContact O-N 2.89Å; F86-T88 HydrophobicContact CB-CG2 4.46Å; F86-T88 WeakPolarHBondContact CB-OG1 3.49Å; F86-T88 PolarHBondContact O-N 3.46Å
89T83.1Confident82Confident0 Ų057.4 Ų57.40%032%0.316CS..  trans-75.7162.7175620000111.5N13 L14 I16 I91 S92 M93 Q173 G177N13-T89 WeakPolarHBondContact O-CB 3.33Å; N13-T89 WeakPolarHBondContact O-CG2 3.27Å; N13-T89 PolarHBondContact O-OG1 2.91Å; L14-T89 WeakPolarHBondContact CA-OG1 3.46Å; L14-T89 PolarHBondContact O-N 3.49Å; L14-T89 PolarHBondContact O-OG1 2.92Å; I16-T89 HydrophobicContact CG1-CG2 4.12Å; T89-I91 VanDerWaalsContact C-N 3.26Å; T89-I91 PolarHBondContact O-N 2.72Å; T89-S92 PolarHBondContact O-N 3.12Å; T89-M93 PolarHBondContact O-N 2.9Å; T89-Q173 VanDerWaalsContact CB-OE1 3.29Å; T89-Q173 PolarHBondContact OG1-OE1 3.28Å; T89-G177 WeakPolarHBondContact CA-O 3.2Å; T89-G177 VanDerWaalsContact CB-O 3.29Å; T89-G177 WeakPolarHBondContact CB-O 3.34Å
90I82.4Confident82Confident1 Ų157.2 Ų57.21%0.00533%0.325CS..SBendtrans-61.1-37.5-177.6-68.5-179.2000111.4A83 S92 M93 M101 F105 G177 T178A83-I90 HydrophobicContact CB-CG1 4.37Å; I90-S92 VanDerWaalsContact C-N 3.28Å; I90-S92 PolarHBondContact O-N 2.69Å; I90-M93 PolarHBondContact O-N 2.96Å; I90-M101 HydrophobicContact CG2-CB 4.08Å; I90-F105 HydrophobicContact CD1-CD1 4.47Å; I90-F105 HydrophobicContact CD1-CD2 3.57Å; I90-F105 HydrophobicContact CD1-CE2 3.6Å; I90-F105 HydrophobicContact CD1-CG 4.01Å; I90-F105 HydrophobicContact CD1-CZ 4.09Å; I90-F105 HydrophobicContact CG2-CB 4.46Å; I90-G177 PolarHBondContact N-O 3.34Å; I90-G177 VanDerWaalsContact N-O 3.09Å; I90-T178 VanDerWaalsContact CD1-O 3.28Å; I90-T178 WeakPolarHBondContact CD1-O 3.37Å
91I81.7Confident82Confident39 Ų3959.1 Ų59.120%0.233%0.334CS..G310 helixtrans-59.6-39.9173.4-70.1177.3000111.1T89 M93 P99 C102 Q173T89-I91 VanDerWaalsContact C-N 3.26Å; T89-I91 PolarHBondContact O-N 2.72Å; I91-M93 VanDerWaalsContact C-N 3.29Å; I91-M93 PolarHBondContact O-N 3.2Å; I91-P99 HydrophobicContact CB-CB 4.38Å; I91-P99 HydrophobicContact CD1-CG 4.49Å; I91-P99 HydrophobicContact CG1-CB 4.02Å; I91-P99 HydrophobicContact CG1-CG 4.34Å; I91-P99 HydrophobicContact CG2-CB 3.97Å; I91-C102 HydrophobicContact CG1-CB 3.79Å; I91-Q173 HydrophobicContact CD1-CB 3.57Å; I91-Q173 HydrophobicContact CD1-CG 4.33Å; I91-Q173 HydrophobicContact CG1-CB 4.28Å
92S79.3Confident82.1Confident43 Ų4356.9 Ų56.930%0.30132%0.322SS..G310 helixtrans-77.4-4.6-176.1-168.60000114.8L14 T89 I90L14-S92 WeakPolarHBondContact O-CB 3.48Å; T89-S92 PolarHBondContact O-N 3.12Å; I90-S92 VanDerWaalsContact C-N 3.28Å; I90-S92 PolarHBondContact O-N 2.69Å
93M78.4Confident82.3Confident53 Ų5358 Ų5826%0.26132%0.323SS..G310 helixtrans-74.2-32.1-179.1-71.5-170.6175.600114A82 A83 T89 I90 I91A82-M93 HydrophobicContact CB-CE 3.88Å; A83-M93 HydrophobicContact CB-CE 3.55Å; T89-M93 PolarHBondContact O-N 2.9Å; I90-M93 PolarHBondContact O-N 2.96Å; I91-M93 VanDerWaalsContact C-N 3.29Å; I91-M93 PolarHBondContact O-N 3.2Å
94I79.9Confident82.6Confident83 Ų8361.9 Ų61.943%0.42634%0.338SS..SBendtrans-135.6113172.7-64.8-169.2000107.3S96 M101I94-S96 PolarHBondContact O-N 3.35Å; I94-S96 PolarHBondContact O-OG 3.31Å; I94-M101 HydrophobicContact CB-CG 4.1Å; I94-M101 HydrophobicContact CD1-CE 3.34Å; I94-M101 HydrophobicContact CD1-CG 4.06Å; I94-M101 HydrophobicContact CG1-CE 4Å; I94-M101 HydrophobicContact CG1-CG 3.94Å
95D75.1Confident82.9Confident169 Ų16960.6 Ų60.690%0.90433%0.333SS*.  trans-62.4101.2171.1-17018.4000109.2
96S76.4Confident83.2Confident38 Ų3856.8 Ų56.827%0.26631%0.307SS..  trans-151.9140.1-173.748.80000108.7I94 P98 P99 A100I94-S96 PolarHBondContact O-N 3.35Å; I94-S96 PolarHBondContact O-OG 3.31Å; S96-P98 CarbonylContact C-O 3.56Å; S96-P98 CarbonylContact O-C 3.56Å; S96-P99 WeakPolarHBondContact O-CA 3.47Å; S96-A100 PolarHBondContact OG-N 2.84Å
97N75.9Confident83.7Confident165 Ų16552.2 Ų52.288%0.88229%0.287SS*.SBendtrans-132.5107.6179.3-1705.8000108.7
98P75.3Confident84.2Confident73 Ų7348 Ų4847%0.47426%0.264SS..SBendcis-68.4163.42.831.6-37.7000113.7S96 A100 E103S96-P98 CarbonylContact C-O 3.56Å; S96-P98 CarbonylContact O-C 3.56Å; P98-A100 PolarHBondContact O-N 3.41Å; P98-E103 VanDerWaalsContact CB-OE1 3.31Å; P98-E103 WeakPolarHBondContact CB-OE1 3.35Å; P98-E103 VanDerWaalsContact CG-OE1 3.27Å; P98-E103 WeakPolarHBondContact CG-OE1 3.43Å
99P83.4Confident84.7Confident34 Ų3447.3 Ų47.322%0.22126%0.26CS..  trans-75.685.3-172.931.2-36.7000112.4I91 S96 M101 C102 E103I91-P99 HydrophobicContact CB-CB 4.38Å; I91-P99 HydrophobicContact CD1-CG 4.49Å; I91-P99 HydrophobicContact CG1-CB 4.02Å; I91-P99 HydrophobicContact CG1-CG 4.34Å; I91-P99 HydrophobicContact CG2-CB 3.97Å; S96-P99 WeakPolarHBondContact O-CA 3.47Å; P99-M101 PolarHBondContact O-N 3.5Å; P99-C102 HydrophobicContact CB-CB 4.21Å; P99-C102 HydrophobicContact CG-CB 4.19Å; P99-C102 WeakPolarHBondContact O-CA 3.32Å; P99-C102 WeakPolarHBondContact O-CB 3.35Å; P99-C102 PolarHBondContact O-N 3.47Å; P99-E103 PolarHBondContact O-N 2.84Å
100A86.6Confident85.2Confident50 Ų5047.3 Ų47.341%0.41326%0.26SS..Hα-helixtrans-55.2-30.3-171.300000114.6S96 P98 Y104S96-A100 PolarHBondContact OG-N 2.84Å; P98-A100 PolarHBondContact O-N 3.41Å; A100-Y104 VanDerWaalsContact O-CB 3.28Å; A100-Y104 WeakPolarHBondContact O-CB 3.46Å; A100-Y104 PolarHBondContact O-N 3.36Å
101M87.3Confident85.8Confident44 Ų4448.7 Ų48.722%0.21727%0.265CS..Hα-helixtrans-69.4-34.1175.1-82.3-67.9175.900113.2F79 I90 I94 P99 F105F79-M101 HydrophobicContact CD1-SD 4.29Å; F79-M101 HydrophobicContact CE1-CE 4.17Å; F79-M101 HydrophobicContact CE1-SD 3.88Å; I90-M101 HydrophobicContact CG2-CB 4.08Å; I94-M101 HydrophobicContact CB-CG 4.1Å; I94-M101 HydrophobicContact CD1-CE 3.34Å; I94-M101 HydrophobicContact CD1-CG 4.06Å; I94-M101 HydrophobicContact CG1-CE 4Å; I94-M101 HydrophobicContact CG1-CG 3.94Å; P99-M101 PolarHBondContact O-N 3.5Å; M101-F105 VanDerWaalsContact O-CB 3.29Å; M101-F105 WeakPolarHBondContact O-CB 3.26Å; M101-F105 PolarHBondContact O-N 3.37Å
102C89.1Confident86.4Confident0 Ų047.6 Ų47.60%026%0.259CS..Hα-helixtrans-74-41176.6-168.20000110.9I91 P99 F105 G106 C180I91-C102 HydrophobicContact CG1-CB 3.79Å; P99-C102 HydrophobicContact CB-CB 4.21Å; P99-C102 HydrophobicContact CG-CB 4.19Å; P99-C102 WeakPolarHBondContact O-CA 3.32Å; P99-C102 WeakPolarHBondContact O-CB 3.35Å; P99-C102 PolarHBondContact O-N 3.47Å; C102-F105 PolarHBondContact O-N 2.99Å; C102-G106 PolarHBondContact O-N 3.24Å; C102-C180 WeakPolarHBondContact CA-SG 3.49Å; C102-C180 HydrophobicContact CB-CB 4Å; C102-C180 WeakPolarHBondContact CB-SG 3.43Å; C102-C180 WeakPolarHBondContact O-CB 3.49Å; C102-C180 WeakPolarHBondContact SG-CB 3.3Å; C102-C180 CovalentContact SG-SG 2.04Å; C102-C180 PolarHBondContact SG-SG 3.23Å
103E90.4Very high87Confident47 Ų4746.3 Ų46.322%0.2225%0.25CS..Hα-helixtrans-61-47.6172.5-62.9179159.600112.1P98 P99 G106 F107 F165 Y171P98-E103 VanDerWaalsContact CB-OE1 3.31Å; P98-E103 WeakPolarHBondContact CB-OE1 3.35Å; P98-E103 VanDerWaalsContact CG-OE1 3.27Å; P98-E103 WeakPolarHBondContact CG-OE1 3.43Å; P99-E103 PolarHBondContact O-N 2.84Å; E103-G106 PolarHBondContact O-N 2.69Å; E103-F107 VanDerWaalsContact O-CB 3.22Å; E103-F107 WeakPolarHBondContact O-CB 3.14Å; E103-F107 PolarHBondContact O-N 3Å; E103-F165 HydrophobicContact CB-CE1 3.83Å; E103-F165 HydrophobicContact CB-CZ 4.01Å; E103-F165 HydrophobicContact CG-CE1 4.35Å; E103-Y171 HydrophobicContact CB-CD2 4.33Å
104Y91.4Very high87.8Confident83 Ų8344 Ų4433%0.32524%0.239SC..Hα-helixtrans-59.6-47.5176.2170-94.6000111.8F79 A100 F107 C108F79-Y104 HydrophobicContact CD2-CE1 4.42Å; F79-Y104 AromaticContact CE2-CE1 3.74Å; F79-Y104 HydrophobicContact CE2-CE1 3.74Å; F79-Y104 AromaticContact CZ-CE1 3.94Å; F79-Y104 HydrophobicContact CZ-CE1 3.94Å; A100-Y104 VanDerWaalsContact O-CB 3.28Å; A100-Y104 WeakPolarHBondContact O-CB 3.46Å; A100-Y104 PolarHBondContact O-N 3.36Å; Y104-F107 PolarHBondContact O-N 3.23Å; Y104-C108 VanDerWaalsContact CZ-SG 3.56Å; Y104-C108 WeakPolarHBondContact O-CB 3.4Å; Y104-C108 PolarHBondContact O-N 3.17Å; Y104-C108 PolarHBondContact O-SG 3.02Å
105F91.9Very high88.5Confident2 Ų240.1 Ų40.11%0.00922%0.219CC..Hα-helixtrans-63.1-45179.2-175.5-77.8000111.6V76 F79 V80 I90 M101 C102 C108 M109 W179 C180V76-F105 HydrophobicContact CB-CE2 4.48Å; V76-F105 HydrophobicContact CG1-CD2 4.15Å; V76-F105 HydrophobicContact CG1-CE1 4.19Å; V76-F105 HydrophobicContact CG1-CE2 3.43Å; V76-F105 VanDerWaalsContact CG1-CE2 3.43Å; V76-F105 HydrophobicContact CG1-CZ 3.47Å; V76-F105 VanDerWaalsContact CG1-CZ 3.47Å; F79-F105 HydrophobicContact CB-CD2 4.26Å; F79-F105 HydrophobicContact CB-CE2 4.49Å; V80-F105 HydrophobicContact CG2-CE2 3.57Å; V80-F105 HydrophobicContact CG2-CZ 3.75Å; I90-F105 HydrophobicContact CD1-CD1 4.47Å; I90-F105 HydrophobicContact CD1-CD2 3.57Å; I90-F105 HydrophobicContact CD1-CE2 3.6Å; I90-F105 HydrophobicContact CD1-CG 4.01Å; I90-F105 HydrophobicContact CD1-CZ 4.09Å; I90-F105 HydrophobicContact CG2-CB 4.46Å; M101-F105 VanDerWaalsContact O-CB 3.29Å; M101-F105 WeakPolarHBondContact O-CB 3.26Å; M101-F105 PolarHBondContact O-N 3.37Å; C102-F105 PolarHBondContact O-N 2.99Å; F105-C108 PolarHBondContact O-N 2.85Å; F105-M109 HydrophobicContact CD1-CG 4.01Å; F105-M109 HydrophobicContact CE1-CG 3.71Å; F105-M109 HydrophobicContact CZ-CG 4.38Å; F105-M109 WeakPolarHBondContact O-CB 3.34Å; F105-M109 WeakPolarHBondContact O-CG 3.49Å; F105-M109 PolarHBondContact O-N 3.07Å; F105-W179 HydrophobicContact CE1-CB 4.47Å; F105-W179 HydrophobicContact CE1-CE3 4.25Å; F105-W179 HydrophobicContact CZ-CE3 4.11Å; F105-C180 HydrophobicContact CB-CB 4.31Å; F105-C180 HydrophobicContact CD1-CB 3.85Å; F105-C180 VanDerWaalsContact CD1-N 3.35Å; F105-C180 VanDerWaalsContact CD1-O 3.22Å; F105-C180 WeakPolarHBondContact CD1-O 3.14Å; F105-C180 VanDerWaalsContact CE1-N 3.33Å; F105-C180 WeakPolarHBondContact CE1-O 3.13Å; F105-C180 HydrophobicContact CG-CB 4.41Å
106G92Very high89.3Confident0 Ų032.1 Ų32.10%018%0.177CC..Hα-helixtrans-61.1-47.8176.300000112.1C102 E103 C108 M109 T110C102-G106 PolarHBondContact O-N 3.24Å; E103-G106 PolarHBondContact O-N 2.69Å; G106-C108 PolarHBondContact O-N 2.8Å; G106-M109 PolarHBondContact O-N 3.46Å; G106-T110 WeakPolarHBondContact O-CG2 3.23Å; G106-T110 PolarHBondContact O-N 2.99Å; G106-T110 PolarHBondContact O-OG1 3.37Å; G106-T110 VanDerWaalsContact O-OG1 3.14Å
107F93.6Very high90Very high48 Ų4830.3 Ų30.321%0.21116%0.164CC..Hα-helixtrans-57.2-47.7174.6173.6-94.9000112.1E103 Y104 T110 F111 C161 L162 F165 Y171E103-F107 VanDerWaalsContact O-CB 3.22Å; E103-F107 WeakPolarHBondContact O-CB 3.14Å; E103-F107 PolarHBondContact O-N 3Å; Y104-F107 PolarHBondContact O-N 3.23Å; F107-T110 PolarHBondContact O-OG1 2.94Å; F107-T110 VanDerWaalsContact O-OG1 3.1Å; F107-F111 HydrophobicContact CE1-CB 4.45Å; F107-F111 HydrophobicContact CZ-CB 4.47Å; F107-F111 HydrophobicContact CZ-CD2 4.41Å; F107-F111 HydrophobicContact CZ-CG 4.49Å; F107-F111 WeakPolarHBondContact O-CB 3.43Å; F107-F111 PolarHBondContact O-N 3.49Å; F107-C161 HydrophobicContact CD2-CB 3.67Å; F107-C161 WeakPolarHBondContact CD2-O 3.23Å; F107-C161 HydrophobicContact CE2-CB 3.56Å; F107-L162 HydrophobicContact CE2-CD2 4.06Å; F107-L162 HydrophobicContact CE2-CG 4.12Å; F107-F165 HydrophobicContact CB-CE2 4.22Å; F107-F165 HydrophobicContact CB-CZ 4.28Å; F107-F165 AromaticContact CD2-CE2 3.95Å; F107-F165 HydrophobicContact CD2-CE2 3.95Å; F107-F165 HydrophobicContact CG-CE2 4.36Å; F107-Y171 HydrophobicContact CB-CE2 4.43Å
108C93.7Very high90.9Very high5 Ų523.3 Ų23.33%0.03413%0.128CC..Hα-helixtrans-60.9-47.9176.6-76.50000111.4V76 Y104 F105 G106 T110 F111 F112V76-C108 HydrophobicContact CG2-CB 3.87Å; Y104-C108 VanDerWaalsContact CZ-SG 3.56Å; Y104-C108 WeakPolarHBondContact O-CB 3.4Å; Y104-C108 PolarHBondContact O-N 3.17Å; Y104-C108 PolarHBondContact O-SG 3.02Å; F105-C108 PolarHBondContact O-N 2.85Å; G106-C108 PolarHBondContact O-N 2.8Å; C108-T110 PolarHBondContact O-N 2.89Å; C108-F111 PolarHBondContact O-N 2.9Å; C108-F112 HydrophobicContact CB-CD2 4.11Å; C108-F112 HydrophobicContact CB-CE2 4.12Å; C108-F112 WeakPolarHBondContact O-CB 3.35Å; C108-F112 WeakPolarHBondContact O-CD2 3.27Å; C108-F112 PolarHBondContact O-N 3.21Å
109M92.3Very high91.7Very high17 Ų1719.9 Ų19.98%0.08411%0.105CC..Hα-helixtrans-57.7-47.4179-82.3-73.3-7100112.7V76 F105 G106 S113 W179 F181V76-M109 HydrophobicContact CG1-CG 4.05Å; V76-M109 HydrophobicContact CG1-SD 3.78Å; V76-M109 HydrophobicContact CG2-CG 4.22Å; V76-M109 HydrophobicContact CG2-SD 4.32Å; F105-M109 HydrophobicContact CD1-CG 4.01Å; F105-M109 HydrophobicContact CE1-CG 3.71Å; F105-M109 HydrophobicContact CZ-CG 4.38Å; F105-M109 WeakPolarHBondContact O-CB 3.34Å; F105-M109 WeakPolarHBondContact O-CG 3.49Å; F105-M109 PolarHBondContact O-N 3.07Å; G106-M109 PolarHBondContact O-N 3.46Å; M109-S113 WeakPolarHBondContact O-CB 3.49Å; M109-S113 PolarHBondContact O-N 3.33Å; M109-W179 HydrophobicContact CE-CE3 4.08Å; M109-W179 HydrophobicContact CE-CZ3 3.85Å; M109-W179 HydrophobicContact SD-CZ3 4.32Å; M109-F181 HydrophobicContact CB-CD2 4.01Å; M109-F181 HydrophobicContact CB-CE2 4.21Å
110T93.3Very high92.1Very high0 Ų018.5 Ų18.50%010%0.096CC..Hα-helixtrans-70-42.6178.855.60000112G106 F107 C108 L114 C161 Y171 F181 I182 Y198G106-T110 WeakPolarHBondContact O-CG2 3.23Å; G106-T110 PolarHBondContact O-N 2.99Å; G106-T110 PolarHBondContact O-OG1 3.37Å; G106-T110 VanDerWaalsContact O-OG1 3.14Å; F107-T110 PolarHBondContact O-OG1 2.94Å; F107-T110 VanDerWaalsContact O-OG1 3.1Å; C108-T110 PolarHBondContact O-N 2.89Å; T110-L114 VanDerWaalsContact O-CB 3.3Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 PolarHBondContact O-N 3.1Å; T110-C161 PolarHBondContact OG1-SG 2.65Å; T110-Y171 HydrophobicContact CG2-CE1 4.02Å; T110-Y171 PolarHBondContact OG1-OH 3.36Å; T110-F181 HydrophobicContact CG2-CD2 4.21Å; T110-F181 HydrophobicContact CG2-CE2 3.59Å; T110-F181 HydrophobicContact CG2-CZ 3.85Å; T110-I182 HydrophobicContact CG2-CD1 3.6Å; T110-I182 HydrophobicContact CG2-CG1 3.49Å; T110-I182 VanDerWaalsContact CG2-CG1 3.49Å; T110-Y198 HydrophobicContact CG2-CE2 4.29Å
111F95.1Very high92.3Very high29 Ų2919 Ų1913%0.1279%0.089CC..Hα-helixtrans-63.5-51.4-178.5176.8-97.7000111.9F107 C108 S113 L114 A115 Y154 C157 C161F107-F111 HydrophobicContact CE1-CB 4.45Å; F107-F111 HydrophobicContact CZ-CB 4.47Å; F107-F111 HydrophobicContact CZ-CD2 4.41Å; F107-F111 HydrophobicContact CZ-CG 4.49Å; F107-F111 WeakPolarHBondContact O-CB 3.43Å; F107-F111 PolarHBondContact O-N 3.49Å; C108-F111 PolarHBondContact O-N 2.9Å; F111-S113 PolarHBondContact O-N 3.13Å; F111-L114 PolarHBondContact O-N 2.88Å; F111-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 2.81Å; F111-Y154 HydrophobicContact CE1-CD1 4.23Å; F111-Y154 WeakPolarHBondContact CE2-O 3.33Å; F111-Y154 AromaticContact CZ-CD1 3.77Å; F111-Y154 HydrophobicContact CZ-CD1 3.77Å; F111-Y154 HydrophobicContact CZ-CG 4.35Å; F111-C157 HydrophobicContact CD2-CB 4.03Å; F111-C157 HydrophobicContact CE2-CB 3.94Å; F111-C161 VanDerWaalsContact CA-SG 3.51Å; F111-C161 HydrophobicContact CB-CB 4.34Å; F111-C161 PolarHBondContact N-SG 2.93Å
112F93.8Very high92.5Very high16 Ų1617.7 Ų17.77%0.079%0.085CC..Hα-helixtrans-66.8-38.1-179.5-71.8-63000111.5T68 M71 G72 L75 C108 T116T68-F112 HydrophobicContact CG2-CD1 3.8Å; M71-F112 HydrophobicContact CB-CE1 3.75Å; M71-F112 HydrophobicContact CB-CZ 3.99Å; G72-F112 VanDerWaalsContact CA-CD2 3.41Å; L75-F112 HydrophobicContact CB-CE2 4.29Å; L75-F112 HydrophobicContact CD1-CE2 3.72Å; L75-F112 HydrophobicContact CD1-CZ 3.54Å; C108-F112 HydrophobicContact CB-CD2 4.11Å; C108-F112 HydrophobicContact CB-CE2 4.12Å; C108-F112 WeakPolarHBondContact O-CB 3.35Å; C108-F112 WeakPolarHBondContact O-CD2 3.27Å; C108-F112 PolarHBondContact O-N 3.21Å; F112-T116 VanDerWaalsContact O-CB 3.27Å; F112-T116 WeakPolarHBondContact O-CB 3.13Å; F112-T116 PolarHBondContact O-N 2.93Å; F112-T116 PolarHBondContact O-OG1 2.89Å
113S92.5Very high92.5Very high16 Ų1618 Ų1811%0.1129%0.086CC..Hα-helixtrans-61.2-48.4175-173.50000112.4M109 F111 L117 Y198 L297M109-S113 WeakPolarHBondContact O-CB 3.49Å; M109-S113 PolarHBondContact O-N 3.33Å; F111-S113 PolarHBondContact O-N 3.13Å; S113-L117 PolarHBondContact O-N 3.44Å; S113-L117 VanDerWaalsContact O-N 3.1Å; S113-Y198 WeakPolarHBondContact CB-OH 3.29Å; S113-Y198 PolarHBondContact OG-OH 3.1Å; S113-L297 WeakPolarHBondContact OG-CD1 3.03Å
114L93.9Very high92.4Very high6 Ų615.8 Ų15.83%0.0318%0.076CC..Hα-helixtrans-70.7-35.2-179.7-173.861.3000112.8T110 F111 L117 S118 C157 F160 Y198 V201 L205T110-L114 VanDerWaalsContact O-CB 3.3Å; T110-L114 WeakPolarHBondContact O-CB 3.49Å; T110-L114 PolarHBondContact O-N 3.1Å; F111-L114 PolarHBondContact O-N 2.88Å; L114-L117 WeakPolarHBondContact O-CB 3.36Å; L114-S118 WeakPolarHBondContact O-CB 3.14Å; L114-S118 PolarHBondContact O-N 3.46Å; L114-S118 PolarHBondContact O-OG 3.4Å; L114-C157 HydrophobicContact CD2-CB 4.25Å; L114-C157 HydrophobicContact CG-CB 4.33Å; L114-F160 HydrophobicContact CD2-CB 4.07Å; L114-F160 HydrophobicContact CD2-CD1 3.88Å; L114-F160 HydrophobicContact CD2-CG 3.97Å; L114-Y198 HydrophobicContact CB-CE2 4.38Å; L114-V201 HydrophobicContact CD1-CG1 3.73Å; L114-L205 HydrophobicContact CD1-CD1 3.75Å
115A95.1Very high92.3Very high0 Ų015.2 Ų15.20%08%0.078CC..Hα-helixtrans-67.2-48.6175.500000111.6T68 F111 L117 S118 V119 C157T68-A115 HydrophobicContact CG2-CB 4.05Å; F111-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 2.81Å; A115-L117 VanDerWaalsContact C-N 3.29Å; A115-L117 PolarHBondContact O-N 2.87Å; A115-S118 PolarHBondContact O-N 3.48Å; A115-S118 VanDerWaalsContact O-N 3.13Å; A115-V119 WeakPolarHBondContact O-CG2 3.42Å; A115-V119 PolarHBondContact O-N 3.21Å; A115-C157 HydrophobicContact CB-CB 4.5Å
116T92.4Very high92Very high2 Ų215.7 Ų15.71%0.0128%0.081CC..Hα-helixtrans-56-44174.8-80.50000110.9L65 T68 D69 F112 V119 L120L65-T116 HydrophobicContact CD1-CG2 3.79Å; T68-T116 WeakPolarHBondContact CG2-OG1 3.39Å; D69-T116 PolarHBondContact OD1-OG1 2.91Å; F112-T116 VanDerWaalsContact O-CB 3.27Å; F112-T116 WeakPolarHBondContact O-CB 3.13Å; F112-T116 PolarHBondContact O-N 2.93Å; F112-T116 PolarHBondContact O-OG1 2.89Å; T116-V119 PolarHBondContact O-N 2.97Å; T116-L120 HydrophobicContact CG2-CD1 4Å; T116-L120 WeakPolarHBondContact O-CB 3.28Å; T116-L120 WeakPolarHBondContact O-CG 3.47Å; T116-L120 PolarHBondContact O-N 2.72Å
117L91.8Very high91.6Very high0 Ų016.2 Ų16.20%08%0.083CC..Hα-helixtrans-59-47.3173-106.8173.6000114.4S113 L114 A115 V119 L120 F121 M202 L205 V206 I209 F264S113-L117 PolarHBondContact O-N 3.44Å; S113-L117 VanDerWaalsContact O-N 3.1Å; L114-L117 WeakPolarHBondContact O-CB 3.36Å; A115-L117 VanDerWaalsContact C-N 3.29Å; A115-L117 PolarHBondContact O-N 2.87Å; L117-V119 VanDerWaalsContact C-N 3.3Å; L117-V119 PolarHBondContact O-N 3.22Å; L117-L120 WeakPolarHBondContact O-CB 3.31Å; L117-L120 PolarHBondContact O-N 3.46Å; L117-F121 PolarHBondContact O-N 3.42Å; L117-M202 HydrophobicContact CD1-CB 4.4Å; L117-M202 HydrophobicContact CD1-CE 3.61Å; L117-M202 HydrophobicContact CD1-CG 4.4Å; L117-M202 HydrophobicContact CD1-SD 3.27Å; L117-M202 WeakPolarHBondContact CD1-SD 3.22Å; L117-L205 HydrophobicContact CB-CD1 4.1Å; L117-L205 HydrophobicContact CD1-CD1 4.41Å; L117-L205 HydrophobicContact CD2-CB 4.02Å; L117-V206 HydrophobicContact CD2-CG2 4.19Å; L117-I209 HydrophobicContact CD2-CD1 3.59Å; L117-F264 HydrophobicContact CD1-CE1 3.96Å; L117-F264 HydrophobicContact CD1-CZ 3.69Å; L117-F264 HydrophobicContact CD2-CD1 3.92Å; L117-F264 HydrophobicContact CD2-CE1 3.27Å; L117-F264 HydrophobicContact CD2-CE2 4.08Å; L117-F264 HydrophobicContact CD2-CZ 3.43Å; L117-F264 VanDerWaalsContact CD2-CZ 3.43Å; L117-F264 HydrophobicContact CG-CE1 3.63Å; L117-F264 HydrophobicContact CG-CE2 3.88Å; L117-F264 HydrophobicContact CG-CZ 3.22Å
118S94.5Very high91.1Very high18 Ų1814.5 Ų14.513%0.1268%0.077CC..Hα-helixtrans-68.2-33.2-177.4-620000111.4L114 A115 A122L114-S118 WeakPolarHBondContact O-CB 3.14Å; L114-S118 PolarHBondContact O-N 3.46Å; L114-S118 PolarHBondContact O-OG 3.4Å; A115-S118 PolarHBondContact O-N 3.48Å; A115-S118 VanDerWaalsContact O-N 3.13Å; S118-A122 WeakPolarHBondContact O-CB 3.11Å; S118-A122 PolarHBondContact O-N 2.94Å
119V92.7Very high90.7Very high0 Ų016.6 Ų16.60%09%0.087CC..Hα-helixtrans-68.8-41.7170.7174.40000111.3T64 L65 A115 T116 L117 F121 A122 M123 I153 Y154T64-V119 HydrophobicContact CG2-CG2 4.07Å; L65-V119 HydrophobicContact CB-CG1 3.97Å; L65-V119 HydrophobicContact CD1-CG1 4.31Å; A115-V119 WeakPolarHBondContact O-CG2 3.42Å; A115-V119 PolarHBondContact O-N 3.21Å; T116-V119 PolarHBondContact O-N 2.97Å; L117-V119 VanDerWaalsContact C-N 3.3Å; L117-V119 PolarHBondContact O-N 3.22Å; V119-F121 VanDerWaalsContact C-N 3.35Å; V119-F121 PolarHBondContact O-N 3.34Å; V119-A122 PolarHBondContact O-N 3.32Å; V119-M123 HydrophobicContact CG1-CE 4.4Å; V119-M123 WeakPolarHBondContact O-CG 3.36Å; V119-M123 PolarHBondContact O-N 2.96Å; V119-I153 HydrophobicContact CG2-CG2 4.49Å; V119-Y154 HydrophobicContact CG2-CE2 4.44Å
120L90Very high90Very high6 Ų617 Ų173%0.0319%0.092CC..Hα-helixtrans-60-42.7173.2-76.4162.4000112L65 T116 L117 M123 A124 I209 M260 F264L65-L120 HydrophobicContact CD1-CD2 4.47Å; L65-L120 HydrophobicContact CD1-CG 4.07Å; L65-L120 HydrophobicContact CD2-CD2 4.37Å; T116-L120 HydrophobicContact CG2-CD1 4Å; T116-L120 WeakPolarHBondContact O-CB 3.28Å; T116-L120 WeakPolarHBondContact O-CG 3.47Å; T116-L120 PolarHBondContact O-N 2.72Å; L117-L120 WeakPolarHBondContact O-CB 3.31Å; L117-L120 PolarHBondContact O-N 3.46Å; L120-M123 HydrophobicContact CD2-CE 3.71Å; L120-M123 HydrophobicContact CG-CE 4.29Å; L120-M123 PolarHBondContact O-N 3.33Å; L120-A124 PolarHBondContact O-N 2.86Å; L120-I209 HydrophobicContact CB-CD1 4.02Å; L120-M260 HydrophobicContact CD2-CB 4.43Å; L120-F264 HydrophobicContact CD1-CD2 3.35Å; L120-F264 HydrophobicContact CD1-CE2 3.86Å; L120-F264 HydrophobicContact CD1-CG 4.07Å
121F92.4Very high89.3Confident61 Ų6118.5 Ų18.527%0.26810%0.1SC..Hα-helixtrans-62.2-45.2172.7176.2-116.9000112.4L117 V119 M123 A124 L125 L205 A208 I209L117-F121 PolarHBondContact O-N 3.42Å; V119-F121 VanDerWaalsContact C-N 3.35Å; V119-F121 PolarHBondContact O-N 3.34Å; F121-M123 VanDerWaalsContact C-N 3.28Å; F121-M123 PolarHBondContact O-N 3.33Å; F121-A124 PolarHBondContact O-N 2.96Å; F121-L125 HydrophobicContact CE1-CD2 4.47Å; F121-L125 HydrophobicContact CZ-CD2 4.36Å; F121-L125 WeakPolarHBondContact O-CB 3.37Å; F121-L125 PolarHBondContact O-N 3.23Å; F121-L205 HydrophobicContact CB-CD2 4.15Å; F121-L205 HydrophobicContact CD1-CD2 4.2Å; F121-L205 HydrophobicContact CG-CD2 4.2Å; F121-A208 HydrophobicContact CD2-CB 3.97Å; F121-A208 HydrophobicContact CE2-CB 3.68Å; F121-A208 HydrophobicContact CZ-CB 4.49Å; F121-I209 HydrophobicContact CB-CD1 4.04Å; F121-I209 HydrophobicContact CB-CG1 3.77Å; F121-I209 HydrophobicContact CD2-CG1 4.1Å; F121-I209 HydrophobicContact CG-CG1 4.44Å
122A91.6Very high88.3Confident15 Ų1518.1 Ų18.112%0.12410%0.104CC..Hα-helixtrans-60-37.7175.600000112.4L61 S118 V119 E126 I153L61-A122 HydrophobicContact CD2-CB 4.22Å; S118-A122 WeakPolarHBondContact O-CB 3.11Å; S118-A122 PolarHBondContact O-N 2.94Å; V119-A122 PolarHBondContact O-N 3.32Å; A122-E126 VanDerWaalsContact O-CB 3.27Å; A122-E126 WeakPolarHBondContact O-CB 3.46Å; A122-E126 PolarHBondContact O-N 2.86Å; A122-I153 HydrophobicContact CB-CD1 3.97Å
123M87.9Confident87.5Confident6 Ų620.5 Ų20.53%0.0312%0.122CC..Hα-helixtrans-67.6-44.3173.7-71-166.3-70.400112.7F58 L61 V62 L65 V119 L120 F121 L125 E126 R127 L257F58-M123 HydrophobicContact CE2-SD 4.46Å; L61-M123 HydrophobicContact CB-CG 3.48Å; L61-M123 VanDerWaalsContact CB-CG 3.48Å; L61-M123 HydrophobicContact CB-SD 4.01Å; L61-M123 HydrophobicContact CD1-CG 3.85Å; L61-M123 HydrophobicContact CG-CG 4.24Å; V62-M123 HydrophobicContact CB-SD 4.4Å; V62-M123 HydrophobicContact CG2-SD 3.49Å; V62-M123 WeakPolarHBondContact CG2-SD 3.5Å; L65-M123 HydrophobicContact CB-CE 4.39Å; L65-M123 HydrophobicContact CD2-CE 3.8Å; L65-M123 HydrophobicContact CG-CE 4.47Å; V119-M123 HydrophobicContact CG1-CE 4.4Å; V119-M123 WeakPolarHBondContact O-CG 3.36Å; V119-M123 PolarHBondContact O-N 2.96Å; L120-M123 HydrophobicContact CD2-CE 3.71Å; L120-M123 HydrophobicContact CG-CE 4.29Å; L120-M123 PolarHBondContact O-N 3.33Å; F121-M123 VanDerWaalsContact C-N 3.28Å; F121-M123 PolarHBondContact O-N 3.33Å; M123-L125 PolarHBondContact O-N 3.03Å; M123-E126 PolarHBondContact O-N 3.37Å; M123-R127 WeakPolarHBondContact O-CG 3.39Å; M123-R127 PolarHBondContact O-N 3.47Å; M123-R127 VanDerWaalsContact O-N 3.07Å; M123-L257 HydrophobicContact CB-CD1 3.8Å
124A87.9Confident86.8Confident1 Ų123.1 Ų23.11%0.00814%0.139CC..Hα-helixtrans-61-45176.900000111.2L120 F121 R127 C128 C212 L257L120-A124 PolarHBondContact O-N 2.86Å; F121-A124 PolarHBondContact O-N 2.96Å; A124-R127 PolarHBondContact O-N 3.4Å; A124-C128 PolarHBondContact O-N 3.37Å; A124-C128 PolarHBondContact O-SG 3.46Å; A124-C212 HydrophobicContact CB-CB 3.81Å; A124-L257 HydrophobicContact CB-CD2 4.45Å
125L89.3Confident85.9Confident71 Ų7133.3 Ų33.337%0.37218%0.178SC..Hα-helixtrans-63.7-40.7176.6-175.363.1000112.6F121 M123 R127 C128 L129F121-L125 HydrophobicContact CE1-CD2 4.47Å; F121-L125 HydrophobicContact CZ-CD2 4.36Å; F121-L125 WeakPolarHBondContact O-CB 3.37Å; F121-L125 PolarHBondContact O-N 3.23Å; M123-L125 PolarHBondContact O-N 3.03Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.18Å; L125-C128 WeakPolarHBondContact O-CB 3.43Å; L125-C128 PolarHBondContact O-N 3.33Å; L125-L129 HydrophobicContact CD1-CD1 4.49Å; L125-L129 HydrophobicContact CD1-CG 4.41Å; L125-L129 HydrophobicContact CG-CD1 4.23Å; L125-L129 WeakPolarHBondContact O-CG 3.05Å; L125-L129 PolarHBondContact O-N 2.64Å
126E86.3Confident85Confident13 Ų1338.2 Ų38.26%0.06120%0.2CC..Hα-helixtrans-60.5-41.7175.6-173.7-85.517800111.4L61 A122 M123 S130 Y137L61-E126 HydrophobicContact CD1-CB 4.26Å; L61-E126 HydrophobicContact CD1-CG 4.41Å; A122-E126 VanDerWaalsContact O-CB 3.27Å; A122-E126 WeakPolarHBondContact O-CB 3.46Å; A122-E126 PolarHBondContact O-N 2.86Å; M123-E126 PolarHBondContact O-N 3.37Å; E126-S130 VanDerWaalsContact O-CB 3.28Å; E126-S130 WeakPolarHBondContact O-CB 3.39Å; E126-S130 PolarHBondContact O-N 2.88Å; E126-Y137 HydrophobicContact CG-CE2 4.12Å; E126-Y137 PolarHBondContact OE1-OH 2.86Å
127R82.9Confident84.3Confident10 Ų1040.1 Ų40.14%0.03821%0.207CC..Hα-helixtrans-65.3-43.5172.7-64.9-6897.1174.60.1112.1M123 A124 L125 L129 S130 I131 V216 L254 L257M123-R127 WeakPolarHBondContact O-CG 3.39Å; M123-R127 PolarHBondContact O-N 3.47Å; M123-R127 VanDerWaalsContact O-N 3.07Å; A124-R127 PolarHBondContact O-N 3.4Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.18Å; R127-L129 PolarHBondContact O-N 2.96Å; R127-S130 PolarHBondContact O-N 3.42Å; R127-I131 PolarHBondContact O-N 2.88Å; R127-I131 VanDerWaalsContact O-N 3.09Å; R127-V216 HydrophobicContact CB-CG2 4.35Å; R127-L254 HydrophobicContact CB-CD2 3.99Å; R127-L254 HydrophobicContact CG-CD2 3.88Å; R127-L257 HydrophobicContact CG-CD1 4.13Å; R127-L257 HydrophobicContact CG-CD2 4.25Å
128C84.1Confident83.3Confident13 Ų1343.3 Ų43.39%0.08824%0.24CC..Hα-helixtrans-57.4-49176.5-68.90000112.5A124 L125 I131 G132 C212 F215 V216A124-C128 PolarHBondContact O-N 3.37Å; A124-C128 PolarHBondContact O-SG 3.46Å; L125-C128 WeakPolarHBondContact O-CB 3.43Å; L125-C128 PolarHBondContact O-N 3.33Å; C128-I131 PolarHBondContact O-N 2.88Å; C128-G132 WeakPolarHBondContact O-CA 3.27Å; C128-G132 PolarHBondContact O-N 3.37Å; C128-C212 VanDerWaalsContact SG-C 3.52Å; C128-C212 WeakPolarHBondContact SG-CA 3.33Å; C128-C212 WeakPolarHBondContact SG-CB 3.36Å; C128-C212 PolarHBondContact SG-O 3.5Å; C128-C212 VanDerWaalsContact SG-SG 3.7Å; C128-F215 HydrophobicContact CB-CD1 4.33Å; C128-V216 HydrophobicContact CB-CG2 4.25Å
129L83.9Confident82.4Confident48 Ų4852.4 Ų52.425%0.25127%0.272SS..Hα-helixtrans-66.4-41.8-179.4-67.5173.6000111.4L125 R127 I131 C133 F136 Y137 V141L125-L129 HydrophobicContact CD1-CD1 4.49Å; L125-L129 HydrophobicContact CD1-CG 4.41Å; L125-L129 HydrophobicContact CG-CD1 4.23Å; L125-L129 WeakPolarHBondContact O-CG 3.05Å; L125-L129 PolarHBondContact O-N 2.64Å; R127-L129 PolarHBondContact O-N 2.96Å; L129-I131 VanDerWaalsContact C-N 3.35Å; L129-I131 PolarHBondContact O-N 3.12Å; L129-C133 CarbonylContact O-C 3.17Å; L129-C133 WeakPolarHBondContact O-CA 3.42Å; L129-C133 PolarHBondContact O-N 2.71Å; L129-C133 VanDerWaalsContact O-N 3.07Å; L129-F136 HydrophobicContact CD2-CD1 4.25Å; L129-F136 HydrophobicContact CD2-CE1 4.41Å; L129-Y137 HydrophobicContact CB-CD2 3.95Å; L129-V141 HydrophobicContact CD1-CG2 4.23Å
130S79.1Confident81.6Confident27 Ų2757 Ų5719%0.18929%0.293CS..Hα-helixtrans-60.7-40.4178.8-173.80000112.9E126 R127E126-S130 VanDerWaalsContact O-CB 3.28Å; E126-S130 WeakPolarHBondContact O-CB 3.39Å; E126-S130 PolarHBondContact O-N 2.88Å; R127-S130 PolarHBondContact O-N 3.42Å
131I77.2Confident80.7Confident30 Ų3058.3 Ų58.315%0.15430%0.301CS..Hα-helixtrans-95-42.5-173.3-66.8164.5000112.6R127 C128 L129 V216 H219 L254R127-I131 PolarHBondContact O-N 2.88Å; R127-I131 VanDerWaalsContact O-N 3.09Å; C128-I131 PolarHBondContact O-N 2.88Å; L129-I131 VanDerWaalsContact C-N 3.35Å; L129-I131 PolarHBondContact O-N 3.12Å; I131-V216 HydrophobicContact CD1-CG1 3.58Å; I131-H219 HydrophobicContact CG2-CB 4.29Å; I131-L254 HydrophobicContact CD1-CD1 3.47Å; I131-L254 VanDerWaalsContact CD1-CD1 3.47Å; I131-L254 HydrophobicContact CD1-CD2 3.71Å; I131-L254 HydrophobicContact CD1-CG 4.09Å
132G75.4Confident79.7Confident22 Ų2258.7 Ų58.723%0.22731%0.309CS..Hα-helixtrans-76.9-36.5-179.500000113.4C128C128-G132 WeakPolarHBondContact O-CA 3.27Å; C128-G132 PolarHBondContact O-N 3.37Å
133C77.6Confident78.6Confident65 Ų6563.2 Ų63.244%0.43933%0.326SS..  trans-136.860.3-172.8-64.60000113L129 Y135 F136 Y137L129-C133 CarbonylContact O-C 3.17Å; L129-C133 WeakPolarHBondContact O-CA 3.42Å; L129-C133 PolarHBondContact O-N 2.71Å; L129-C133 VanDerWaalsContact O-N 3.07Å; C133-Y135 VanDerWaalsContact C-N 3.25Å; C133-Y135 PolarHBondContact O-N 2.92Å; C133-Y135 VanDerWaalsContact O-N 3.11Å; C133-F136 HydrophobicContact CB-CB 3.99Å; C133-F136 WeakPolarHBondContact O-CB 3.44Å; C133-F136 PolarHBondContact O-N 3.46Å; C133-Y137 PolarHBondContact O-N 3.37Å
134P77.3Confident78.1Confident72 Ų7272.5 Ų72.547%0.46836%0.36SS..Hα-helixtrans-58-32.2-172.922.2-34.5000114.2G138P134-G138 PolarHBondContact O-N 3.14Å
135Y74.6Confident77.7Confident220 Ų22074.7 Ų74.786%0.86338%0.375SS*.Hα-helixtrans-68.7-36.1175.1-68.6-78.4000113.1C133C133-Y135 VanDerWaalsContact C-N 3.25Å; C133-Y135 PolarHBondContact O-N 2.92Å; C133-Y135 VanDerWaalsContact O-N 3.11Å
136F76.1Confident77.2Confident102 Ų10271.6 Ų71.645%0.44736%0.36SS..Hα-helixtrans-73.3-45176.2-178.8-94.4000110.6L129 C133 G138 R139 H140L129-F136 HydrophobicContact CD2-CD1 4.25Å; L129-F136 HydrophobicContact CD2-CE1 4.41Å; C133-F136 HydrophobicContact CB-CB 3.99Å; C133-F136 WeakPolarHBondContact O-CB 3.44Å; C133-F136 PolarHBondContact O-N 3.46Å; F136-G138 PolarHBondContact O-N 2.86Å; F136-R139 PolarHBondContact O-N 2.86Å; F136-H140 AromaticContact CD2-CE1 3.62Å; F136-H140 AromaticContact CD2-ND1 3.27Å; F136-H140 VanDerWaalsContact CD2-ND1 3.27Å; F136-H140 WeakPolarHBondContact CD2-ND1 3.39Å; F136-H140 HydrophobicContact CE1-CB 4.31Å; F136-H140 AromaticContact CE2-CE1 3.52Å; F136-H140 AromaticContact CE2-CG 3.89Å; F136-H140 AromaticContact CE2-ND1 3.23Å; F136-H140 WeakPolarHBondContact CE2-ND1 3.17Å; F136-H140 AromaticContact CG-ND1 3.81Å; F136-H140 HydrophobicContact CZ-CB 4.21Å; F136-H140 AromaticContact CZ-CG 4Å; F136-H140 AromaticContact CZ-ND1 3.75Å; F136-H140 PolarHBondContact O-N 2.9Å; F136-H140 PolarHBondContact O-ND1 3.23Å
137Y77Confident77Confident42 Ų4278.7 Ų78.717%0.16539%0.388CS..Hα-helixtrans-54.5-52.8175.6-176.9-84.5000111.2E126 L129 C133 R139 H140 V141E126-Y137 HydrophobicContact CG-CE2 4.12Å; E126-Y137 PolarHBondContact OE1-OH 2.86Å; L129-Y137 HydrophobicContact CB-CD2 3.95Å; C133-Y137 PolarHBondContact O-N 3.37Å; Y137-R139 PolarHBondContact O-N 2.75Å; Y137-R139 VanDerWaalsContact O-N 3.12Å; Y137-H140 PolarHBondContact O-N 3.08Å; Y137-V141 HydrophobicContact CD2-CB 3.78Å; Y137-V141 HydrophobicContact CD2-CG1 3.88Å; Y137-V141 HydrophobicContact CD2-CG2 3.87Å; Y137-V141 HydrophobicContact CE2-CB 3.93Å; Y137-V141 HydrophobicContact CE2-CG1 3.52Å; Y137-V141 HydrophobicContact CE2-CG2 4.36Å; Y137-V141 HydrophobicContact CG-CB 4.08Å; Y137-V141 HydrophobicContact CG-CG2 4.32Å; Y137-V141 WeakPolarHBondContact O-CA 3.29Å; Y137-V141 WeakPolarHBondContact O-CB 3.43Å; Y137-V141 PolarHBondContact O-N 3.35Å
138G71.7Confident77.3Confident68 Ų6883.9 Ų83.970%0.70142%0.415SS*.Hα-helixtrans-63.9-17.2-179.300000115.6P134 F136P134-G138 PolarHBondContact O-N 3.14Å; F136-G138 PolarHBondContact O-N 2.86Å
139R76.3Confident77.5Confident208 Ų20885.9 Ų85.979%0.78543%0.427SS*.Hα-helixtrans-99.9-34.6-179.5-172.5170.3179.6127.8-1.1113.7F136 Y137F136-R139 PolarHBondContact O-N 2.86Å; Y137-R139 PolarHBondContact O-N 2.75Å; Y137-R139 VanDerWaalsContact O-N 3.12Å
140H74.8Confident77.9Confident96 Ų9684.9 Ų84.944%0.44442%0.422SS..Hα-helixtrans-112.5-31.5-173.8-57.496.9000113.7F136 Y137 T142F136-H140 AromaticContact CD2-CE1 3.62Å; F136-H140 AromaticContact CD2-ND1 3.27Å; F136-H140 VanDerWaalsContact CD2-ND1 3.27Å; F136-H140 WeakPolarHBondContact CD2-ND1 3.39Å; F136-H140 HydrophobicContact CE1-CB 4.31Å; F136-H140 AromaticContact CE2-CE1 3.52Å; F136-H140 AromaticContact CE2-CG 3.89Å; F136-H140 AromaticContact CE2-ND1 3.23Å; F136-H140 WeakPolarHBondContact CE2-ND1 3.17Å; F136-H140 AromaticContact CG-ND1 3.81Å; F136-H140 HydrophobicContact CZ-CB 4.21Å; F136-H140 AromaticContact CZ-CG 4Å; F136-H140 AromaticContact CZ-ND1 3.75Å; F136-H140 PolarHBondContact O-N 2.9Å; F136-H140 PolarHBondContact O-ND1 3.23Å; Y137-H140 PolarHBondContact O-N 3.08Å; H140-T142 PolarHBondContact O-N 2.99Å; H140-T142 VanDerWaalsContact O-N 3.1Å
141V71.6Confident78.6Confident34 Ų3487.1 Ų87.121%0.20644%0.436CS..  trans-88.186.8-173.3-176.40000109.7L57 L129 Y137L57-V141 HydrophobicContact CD1-CG1 3.46Å; L57-V141 VanDerWaalsContact CD1-CG1 3.46Å; L129-V141 HydrophobicContact CD1-CG2 4.23Å; Y137-V141 HydrophobicContact CD2-CB 3.78Å; Y137-V141 HydrophobicContact CD2-CG1 3.88Å; Y137-V141 HydrophobicContact CD2-CG2 3.87Å; Y137-V141 HydrophobicContact CE2-CB 3.93Å; Y137-V141 HydrophobicContact CE2-CG1 3.52Å; Y137-V141 HydrophobicContact CE2-CG2 4.36Å; Y137-V141 HydrophobicContact CG-CB 4.08Å; Y137-V141 HydrophobicContact CG-CG2 4.32Å; Y137-V141 WeakPolarHBondContact O-CA 3.29Å; Y137-V141 WeakPolarHBondContact O-CB 3.43Å; Y137-V141 PolarHBondContact O-N 3.35Å
142T71.8Confident79.5Confident70 Ų7091.9 Ų91.943%0.42946%0.455SS..  trans-99.6163.1178.172.90000111.8H140 R144 C145H140-T142 PolarHBondContact O-N 2.99Å; H140-T142 VanDerWaalsContact O-N 3.1Å; T142-R144 PolarHBondContact O-N 2.65Å; T142-R144 VanDerWaalsContact O-N 3.08Å; T142-R144 PolarHBondContact OG1-N 3.28Å; T142-C145 WeakPolarHBondContact O-CB 3.16Å; T142-C145 PolarHBondContact O-N 2.89Å
143K68.4Low80.4Confident110 Ų11091.7 Ų91.748%0.47845%0.449SS..Hα-helixtrans-55.1-30176-53.8-168.7-172-152.40113.1S56 C145 G146 Y147S56-K143 VanDerWaalsContact OG-CD 3.22Å; S56-K143 WeakPolarHBondContact OG-CD 3.43Å; S56-K143 WeakPolarHBondContact OG-CE 3.3Å; S56-K143 PolarHBondContact OG-NZ 3.25Å; K143-C145 VanDerWaalsContact C-N 3.31Å; K143-C145 PolarHBondContact O-N 3.25Å; K143-G146 PolarHBondContact O-N 3.45Å; K143-Y147 VanDerWaalsContact O-CD2 3.29Å; K143-Y147 WeakPolarHBondContact O-CD2 3.48Å
144R76.8Confident81.3Confident200 Ų20091.1 Ų91.176%0.75544%0.438SS*.Hα-helixtrans-65.6-32.4177.7-67.4-178.4179.4165.4-1.1112.3T142 G146 Y147 I148T142-R144 PolarHBondContact O-N 2.65Å; T142-R144 VanDerWaalsContact O-N 3.08Å; T142-R144 PolarHBondContact OG1-N 3.28Å; R144-G146 VanDerWaalsContact C-N 3.34Å; R144-G146 PolarHBondContact O-N 2.9Å; R144-Y147 PolarHBondContact O-N 2.97Å; R144-I148 WeakPolarHBondContact O-CG1 3.36Å; R144-I148 PolarHBondContact O-N 2.88Å
145C78.9Confident82.2Confident47 Ų4793.1 Ų93.132%0.31844%0.444SS..Hα-helixtrans-58.9-46.1175.6-620000110.9T142 K143 Y147 I148 T149T142-C145 WeakPolarHBondContact O-CB 3.16Å; T142-C145 PolarHBondContact O-N 2.89Å; K143-C145 VanDerWaalsContact C-N 3.31Å; K143-C145 PolarHBondContact O-N 3.25Å; C145-Y147 VanDerWaalsContact C-N 3.34Å; C145-Y147 PolarHBondContact O-N 3.49Å; C145-I148 PolarHBondContact O-N 3.29Å; C145-T149 WeakPolarHBondContact O-CB 3.27Å; C145-T149 PolarHBondContact O-N 3.09Å; C145-T149 PolarHBondContact O-OG1 3.37Å
146G79.6Confident83.2Confident6 Ų686.3 Ų86.36%0.06243%0.425CS..Hα-helixtrans-55.8-44.5176.800000113.4K143 R144 I148 T149 I150K143-G146 PolarHBondContact O-N 3.45Å; R144-G146 VanDerWaalsContact C-N 3.34Å; R144-G146 PolarHBondContact O-N 2.9Å; G146-I148 PolarHBondContact O-N 3.31Å; G146-T149 PolarHBondContact O-N 2.94Å; G146-I150 WeakPolarHBondContact O-CB 3.47Å; G146-I150 WeakPolarHBondContact O-CD1 3.36Å; G146-I150 VanDerWaalsContact O-CG1 3.29Å; G146-I150 WeakPolarHBondContact O-CG1 3.33Å; G146-I150 PolarHBondContact O-N 3.36Å
147Y81.9Confident84.1Confident163 Ų16381.5 Ų81.564%0.63940%0.404SS*.Hα-helixtrans-65.9-15.9176.6-72.3-70000114.7K143 R144 C145 P151K143-Y147 VanDerWaalsContact O-CD2 3.29Å; K143-Y147 WeakPolarHBondContact O-CD2 3.48Å; R144-Y147 PolarHBondContact O-N 2.97Å; C145-Y147 VanDerWaalsContact C-N 3.34Å; C145-Y147 PolarHBondContact O-N 3.49Å; Y147-P151 WeakPolarHBondContact O-CD 3.47Å; Y147-P151 WeakPolarHBondContact O-CG 3.49Å
148I88.4Confident84.9Confident118 Ų11880 Ų8061%0.60540%0.402SS*.Hα-helixtrans-99.5-42176.2-61.1169.5000110.2R144 C145 G146 I150 P151 F152R144-I148 WeakPolarHBondContact O-CG1 3.36Å; R144-I148 PolarHBondContact O-N 2.88Å; C145-I148 PolarHBondContact O-N 3.29Å; G146-I148 PolarHBondContact O-N 3.31Å; I148-I150 PolarHBondContact O-N 3.49Å; I148-P151 WeakPolarHBondContact O-CD 3.44Å; I148-P151 WeakPolarHBondContact O-CG 3.24Å; I148-F152 VanDerWaalsContact O-CB 3.27Å; I148-F152 WeakPolarHBondContact O-CB 3.5Å; I148-F152 PolarHBondContact O-N 3.36Å; I148-F152 VanDerWaalsContact O-N 3.1Å
149T89.4Confident85.9Confident56 Ų5681 Ų8134%0.34439%0.394SS..Hα-helixtrans-62.9-39.3179.1-60.20000112.1C145 G146 F152 I153C145-T149 WeakPolarHBondContact O-CB 3.27Å; C145-T149 PolarHBondContact O-N 3.09Å; C145-T149 PolarHBondContact O-OG1 3.37Å; G146-T149 PolarHBondContact O-N 2.94Å; T149-F152 PolarHBondContact O-N 3.43Å; T149-I153 HydrophobicContact CG2-CD1 3.78Å; T149-I153 HydrophobicContact CG2-CG1 4.37Å; T149-I153 WeakPolarHBondContact O-CB 3.35Å; T149-I153 VanDerWaalsContact O-CG1 3.29Å; T149-I153 WeakPolarHBondContact O-CG1 3.09Å; T149-I153 PolarHBondContact O-N 2.87Å
150I92.7Very high86.7Confident27 Ų2772.2 Ų72.214%0.13836%0.361CS..Hα-helixtrans-61.2-61178-69.2162.8000111.7V60 L61 T64 G146 I148 F152 I153 Y154V60-I150 HydrophobicContact CG1-CD1 3.61Å; L61-I150 HydrophobicContact CD2-CG1 4.31Å; T64-I150 HydrophobicContact CG2-CD1 4.28Å; T64-I150 HydrophobicContact CG2-CG1 4.2Å; T64-I150 HydrophobicContact CG2-CG2 3.88Å; T64-I150 VanDerWaalsContact OG1-CD1 3.26Å; T64-I150 WeakPolarHBondContact OG1-CD1 3.47Å; G146-I150 WeakPolarHBondContact O-CB 3.47Å; G146-I150 WeakPolarHBondContact O-CD1 3.36Å; G146-I150 VanDerWaalsContact O-CG1 3.29Å; G146-I150 WeakPolarHBondContact O-CG1 3.33Å; G146-I150 PolarHBondContact O-N 3.36Å; I148-I150 PolarHBondContact O-N 3.49Å; I150-F152 PolarHBondContact O-N 2.96Å; I150-I153 WeakPolarHBondContact O-CB 3.24Å; I150-I153 PolarHBondContact O-N 3.21Å; I150-I153 VanDerWaalsContact O-N 3.1Å; I150-Y154 HydrophobicContact CG2-CD2 4.13Å; I150-Y154 HydrophobicContact CG2-CE2 3.81Å; I150-Y154 WeakPolarHBondContact O-CD2 3.35Å; I150-Y154 PolarHBondContact O-N 2.94Å; I150-Y154 VanDerWaalsContact O-N 3.1Å
151P94.1Very high87.5Confident74 Ų7467.6 Ų67.648%0.48134%0.34SS..Hα-helixtrans-62.5-30.6179.423.9-33.3000112.7Y147 I148 Y154 L155Y147-P151 WeakPolarHBondContact O-CD 3.47Å; Y147-P151 WeakPolarHBondContact O-CG 3.49Å; I148-P151 WeakPolarHBondContact O-CD 3.44Å; I148-P151 WeakPolarHBondContact O-CG 3.24Å; P151-Y154 PolarHBondContact O-N 3.19Å; P151-L155 VanDerWaalsContact O-CB 3.25Å; P151-L155 WeakPolarHBondContact O-CB 3.07Å; P151-L155 PolarHBondContact O-N 3.47Å
152F94.6Very high88.4Confident130 Ų13070 Ų7057%0.5735%0.351SS*.Hα-helixtrans-62.5-45.1172.3178.2-99.1000112.5I148 T149 I150 Y154 L155 V156I148-F152 VanDerWaalsContact O-CB 3.27Å; I148-F152 WeakPolarHBondContact O-CB 3.5Å; I148-F152 PolarHBondContact O-N 3.36Å; I148-F152 VanDerWaalsContact O-N 3.1Å; T149-F152 PolarHBondContact O-N 3.43Å; I150-F152 PolarHBondContact O-N 2.96Å; F152-Y154 PolarHBondContact O-N 3.34Å; F152-L155 PolarHBondContact O-N 3.49Å; F152-V156 HydrophobicContact CD1-CG2 4.4Å; F152-V156 HydrophobicContact CD2-CG2 4.44Å; F152-V156 HydrophobicContact CE1-CG2 3.96Å; F152-V156 HydrophobicContact CE2-CG2 4.01Å; F152-V156 HydrophobicContact CZ-CG2 3.75Å; F152-V156 WeakPolarHBondContact O-CG2 3.46Å; F152-V156 PolarHBondContact O-N 2.8Å
153I95.6Very high89.1Confident17 Ų1770 Ų709%0.08735%0.348CS..Hα-helixtrans-57.4-50.6174.6-77165.3000110.5V119 A122 T149 I150 L155 V156 C157V119-I153 HydrophobicContact CG2-CG2 4.49Å; A122-I153 HydrophobicContact CB-CD1 3.97Å; T149-I153 HydrophobicContact CG2-CD1 3.78Å; T149-I153 HydrophobicContact CG2-CG1 4.37Å; T149-I153 WeakPolarHBondContact O-CB 3.35Å; T149-I153 VanDerWaalsContact O-CG1 3.29Å; T149-I153 WeakPolarHBondContact O-CG1 3.09Å; T149-I153 PolarHBondContact O-N 2.87Å; I150-I153 WeakPolarHBondContact O-CB 3.24Å; I150-I153 PolarHBondContact O-N 3.21Å; I150-I153 VanDerWaalsContact O-N 3.1Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.42Å; I153-V156 PolarHBondContact O-N 2.66Å; I153-C157 WeakPolarHBondContact O-CB 3.49Å; I153-C157 PolarHBondContact O-N 3.08Å; I153-C157 PolarHBondContact O-SG 2.9Å
154Y95.6Very high89.9Confident54 Ų5465.4 Ų65.421%0.21233%0.329CS..Hα-helixtrans-66.3-35.4-177.3-76-122.7000111.4T64 T68 F111 V119 I150 P151 F152 G158T64-Y154 HydrophobicContact CG2-CE2 3.9Å; T64-Y154 WeakPolarHBondContact CG2-OH 3.47Å; T68-Y154 PolarHBondContact OG1-OH 2.93Å; F111-Y154 HydrophobicContact CE1-CD1 4.23Å; F111-Y154 WeakPolarHBondContact CE2-O 3.33Å; F111-Y154 AromaticContact CZ-CD1 3.77Å; F111-Y154 HydrophobicContact CZ-CD1 3.77Å; F111-Y154 HydrophobicContact CZ-CG 4.35Å; V119-Y154 HydrophobicContact CG2-CE2 4.44Å; I150-Y154 HydrophobicContact CG2-CD2 4.13Å; I150-Y154 HydrophobicContact CG2-CE2 3.81Å; I150-Y154 WeakPolarHBondContact O-CD2 3.35Å; I150-Y154 PolarHBondContact O-N 2.94Å; I150-Y154 VanDerWaalsContact O-N 3.1Å; P151-Y154 PolarHBondContact O-N 3.19Å; F152-Y154 PolarHBondContact O-N 3.34Å; Y154-G158 PolarHBondContact O-N 3.41Å
155L95.9Very high90.3Very high114 Ų11460.4 Ų60.460%0.59731%0.313SS*.Hα-helixtrans-63.1-47.9173.7-179.365.6000111.4P151 F152 I153 G158 V159P151-L155 VanDerWaalsContact O-CB 3.25Å; P151-L155 WeakPolarHBondContact O-CB 3.07Å; P151-L155 PolarHBondContact O-N 3.47Å; F152-L155 PolarHBondContact O-N 3.49Å; I153-L155 VanDerWaalsContact C-N 3.31Å; I153-L155 PolarHBondContact O-N 3.42Å; L155-G158 PolarHBondContact O-N 2.87Å; L155-V159 HydrophobicContact CD1-CG2 4.34Å; L155-V159 WeakPolarHBondContact O-CG2 3.38Å; L155-V159 PolarHBondContact O-N 3.23Å
156V95.2Very high90.5Very high76 Ų7664.4 Ų64.446%0.46133%0.33SS..Hα-helixtrans-63.5-44.3178.2171.60000111.2F152 I153 G158 F160F152-V156 HydrophobicContact CD1-CG2 4.4Å; F152-V156 HydrophobicContact CD2-CG2 4.44Å; F152-V156 HydrophobicContact CE1-CG2 3.96Å; F152-V156 HydrophobicContact CE2-CG2 4.01Å; F152-V156 HydrophobicContact CZ-CG2 3.75Å; F152-V156 WeakPolarHBondContact O-CG2 3.46Å; F152-V156 PolarHBondContact O-N 2.8Å; I153-V156 PolarHBondContact O-N 2.66Å; V156-G158 VanDerWaalsContact C-N 3.33Å; V156-G158 PolarHBondContact O-N 3.14Å; V156-F160 WeakPolarHBondContact O-CB 3.45Å; V156-F160 PolarHBondContact O-N 3.41Å
157C95.8Very high90.6Very high1 Ų167.1 Ų67.11%0.00736%0.358CS..Hα-helixtrans-63.6-39.4176.4-610000111.8F111 L114 A115 I153 F160 C161F111-C157 HydrophobicContact CD2-CB 4.03Å; F111-C157 HydrophobicContact CE2-CB 3.94Å; L114-C157 HydrophobicContact CD2-CB 4.25Å; L114-C157 HydrophobicContact CG-CB 4.33Å; A115-C157 HydrophobicContact CB-CB 4.5Å; I153-C157 WeakPolarHBondContact O-CB 3.49Å; I153-C157 PolarHBondContact O-N 3.08Å; I153-C157 PolarHBondContact O-SG 2.9Å; C157-F160 PolarHBondContact O-N 3.1Å; C157-C161 WeakPolarHBondContact O-CB 3.44Å; C157-C161 PolarHBondContact O-N 2.86Å; C157-C161 PolarHBondContact O-SG 3Å
158G93.8Very high90.5Very high12 Ų1265.4 Ų65.412%0.12435%0.354CS..Hα-helixtrans-65.2-50.7177.800000112Y154 L155 V156 F160 C161 L162Y154-G158 PolarHBondContact O-N 3.41Å; L155-G158 PolarHBondContact O-N 2.87Å; V156-G158 VanDerWaalsContact C-N 3.33Å; V156-G158 PolarHBondContact O-N 3.14Å; G158-F160 VanDerWaalsContact C-N 3.27Å; G158-F160 PolarHBondContact O-N 3.21Å; G158-C161 PolarHBondContact O-N 3.47Å; G158-L162 WeakPolarHBondContact O-CB 3.25Å; G158-L162 VanDerWaalsContact O-CG 3.24Å; G158-L162 WeakPolarHBondContact O-CG 3.42Å; G158-L162 PolarHBondContact O-N 2.85Å
159V93Very high90.3Very high88 Ų8859.8 Ų59.853%0.53333%0.326SS..Hα-helixtrans-58.6-39.9175.7171.30000111.3L155 L162L155-V159 HydrophobicContact CD1-CG2 4.34Å; L155-V159 WeakPolarHBondContact O-CG2 3.38Å; L155-V159 PolarHBondContact O-N 3.23Å; V159-L162 PolarHBondContact O-N 3.48Å
160F93Very high90Very high23 Ų2361.9 Ų61.910%0.10134%0.335CS..Hα-helixtrans-63.4-48.7175.3-169.4-78.6000112.1L114 V156 C157 G158 L162 M163 Y194 L197 Y198 V201L114-F160 HydrophobicContact CD2-CB 4.07Å; L114-F160 HydrophobicContact CD2-CD1 3.88Å; L114-F160 HydrophobicContact CD2-CG 3.97Å; V156-F160 WeakPolarHBondContact O-CB 3.45Å; V156-F160 PolarHBondContact O-N 3.41Å; C157-F160 PolarHBondContact O-N 3.1Å; G158-F160 VanDerWaalsContact C-N 3.27Å; G158-F160 PolarHBondContact O-N 3.21Å; F160-L162 PolarHBondContact O-N 3.33Å; F160-M163 WeakPolarHBondContact O-CB 3.12Å; F160-M163 PolarHBondContact O-N 2.85Å; F160-Y194 HydrophobicContact CD1-CE2 4.03Å; F160-Y194 HydrophobicContact CE1-CD2 4.31Å; F160-Y194 AromaticContact CE1-CE2 3.5Å; F160-Y194 HydrophobicContact CE1-CE2 3.5Å; F160-Y194 HydrophobicContact CZ-CE2 4.12Å; F160-L197 HydrophobicContact CE2-CD2 3.64Å; F160-L197 HydrophobicContact CE2-CG 3.74Å; F160-L197 HydrophobicContact CZ-CB 4.35Å; F160-L197 HydrophobicContact CZ-CD2 3.87Å; F160-L197 HydrophobicContact CZ-CG 3.78Å; F160-Y198 HydrophobicContact CD1-CD2 4.45Å; F160-Y198 AromaticContact CE1-CD2 3.81Å; F160-Y198 HydrophobicContact CE1-CD2 3.81Å; F160-Y198 HydrophobicContact CE1-CG 4.44Å; F160-V201 HydrophobicContact CE2-CG2 3.99Å; F160-V201 HydrophobicContact CZ-CG2 4.41Å
161C91.6Very high89.9Confident0 Ų061.4 Ų61.40%033%0.331CS..Hα-helixtrans-73.1-12.1-178.4-62.90000113.8F107 T110 F111 C157 G158 P164 Y171F107-C161 HydrophobicContact CD2-CB 3.67Å; F107-C161 WeakPolarHBondContact CD2-O 3.23Å; F107-C161 HydrophobicContact CE2-CB 3.56Å; T110-C161 PolarHBondContact OG1-SG 2.65Å; F111-C161 VanDerWaalsContact CA-SG 3.51Å; F111-C161 HydrophobicContact CB-CB 4.34Å; F111-C161 PolarHBondContact N-SG 2.93Å; C157-C161 WeakPolarHBondContact O-CB 3.44Å; C157-C161 PolarHBondContact O-N 2.86Å; C157-C161 PolarHBondContact O-SG 3Å; G158-C161 PolarHBondContact O-N 3.47Å; C161-P164 WeakPolarHBondContact O-CD 3.46Å; C161-Y171 PolarHBondContact O-OH 2.8Å
162L90.1Very high89.5Confident84 Ų8459.1 Ų59.144%0.4432%0.316SS..THydrogen-bonded Turntrans-82.9-9.8172.8-74.4170.4000113.6F107 G158 V159 F160 F165F107-L162 HydrophobicContact CE2-CD2 4.06Å; F107-L162 HydrophobicContact CE2-CG 4.12Å; G158-L162 WeakPolarHBondContact O-CB 3.25Å; G158-L162 VanDerWaalsContact O-CG 3.24Å; G158-L162 WeakPolarHBondContact O-CG 3.42Å; G158-L162 PolarHBondContact O-N 2.85Å; V159-L162 PolarHBondContact O-N 3.48Å; F160-L162 PolarHBondContact O-N 3.33Å; L162-F165 HydrophobicContact CD2-CD2 4.05Å; L162-F165 HydrophobicContact CD2-CE2 4.42Å; L162-F165 PolarHBondContact O-N 3.19Å
163M87.3Confident89.1Confident71 Ų7153 Ų5335%0.3529%0.289SS..SBendtrans-57.6-39179.9-75.7-174.3160.400115.3F160 F165 L166 F168 Y194 L197F160-M163 WeakPolarHBondContact O-CB 3.12Å; F160-M163 PolarHBondContact O-N 2.85Å; M163-F165 VanDerWaalsContact C-N 3.31Å; M163-F165 PolarHBondContact O-N 2.84Å; M163-L166 WeakPolarHBondContact O-CA 3.28Å; M163-L166 WeakPolarHBondContact O-CB 3.27Å; M163-L166 PolarHBondContact O-N 3.38Å; M163-F168 HydrophobicContact CB-CB 4.48Å; M163-F168 PolarHBondContact O-N 2.89Å; M163-Y194 HydrophobicContact CB-CD2 4.07Å; M163-Y194 HydrophobicContact CB-CE2 3.93Å; M163-L197 HydrophobicContact SD-CD2 4.34Å
164P84.6Confident88.5Confident13 Ų1352.5 Ų52.58%0.08429%0.286CS..G310 helixtrans-54.4-44174.2-34.342.5000113.5C161 L166 G167 G169 Y171 Y194C161-P164 WeakPolarHBondContact O-CD 3.46Å; P164-L166 PolarHBondContact O-N 3.44Å; P164-L166 VanDerWaalsContact O-N 3.08Å; P164-G167 PolarHBondContact O-N 3.3Å; P164-G169 VanDerWaalsContact CA-O 3.29Å; P164-G169 WeakPolarHBondContact CA-O 3.45Å; P164-G169 VanDerWaalsContact CB-O 3.24Å; P164-G169 WeakPolarHBondContact CB-O 3.48Å; P164-Y171 HydrophobicContact CB-CD2 4.11Å; P164-Y171 HydrophobicContact CB-CE2 3.66Å; P164-Y171 HydrophobicContact CG-CE2 3.78Å; P164-Y194 HydrophobicContact CG-CD1 3.8Å; P164-Y194 HydrophobicContact CG-CE1 3.26Å; P164-Y194 HydrophobicContact CG-CE2 4.19Å; P164-Y194 HydrophobicContact CG-CG 4.46Å; P164-Y194 VanDerWaalsContact CG-CZ 3.49Å
165F84.2Confident87.7Confident94 Ų9451 Ų5141%0.41228%0.284SS..G310 helixtrans-67.5-9.6178.2-56.1-87.2000113.8E103 F107 L162 M163 Y171E103-F165 HydrophobicContact CB-CE1 3.83Å; E103-F165 HydrophobicContact CB-CZ 4.01Å; E103-F165 HydrophobicContact CG-CE1 4.35Å; F107-F165 HydrophobicContact CB-CE2 4.22Å; F107-F165 HydrophobicContact CB-CZ 4.28Å; F107-F165 AromaticContact CD2-CE2 3.95Å; F107-F165 HydrophobicContact CD2-CE2 3.95Å; F107-F165 HydrophobicContact CG-CE2 4.36Å; L162-F165 HydrophobicContact CD2-CD2 4.05Å; L162-F165 HydrophobicContact CD2-CE2 4.42Å; L162-F165 PolarHBondContact O-N 3.19Å; M163-F165 VanDerWaalsContact C-N 3.31Å; M163-F165 PolarHBondContact O-N 2.84Å; F165-Y171 AromaticContact CE2-CE2 3.99Å; F165-Y171 HydrophobicContact CE2-CE2 3.99Å; F165-Y171 HydrophobicContact CZ-CE2 4.21Å
166L84.7Confident86.7Confident131 Ų13147.4 Ų47.469%0.68627%0.267SS*.G310 helixtrans-97.26.6172.1-58.9176.5000112.6M163 P164 F168M163-L166 WeakPolarHBondContact O-CA 3.28Å; M163-L166 WeakPolarHBondContact O-CB 3.27Å; M163-L166 PolarHBondContact O-N 3.38Å; P164-L166 PolarHBondContact O-N 3.44Å; P164-L166 VanDerWaalsContact O-N 3.08Å; L166-F168 HydrophobicContact CB-CD2 4.23Å
167G80.8Confident86Confident63 Ų6343.8 Ų43.865%0.64925%0.245SC*.THydrogen-bonded Turntrans88.425.3179.600000114.8P164P164-G167 PolarHBondContact O-N 3.3Å
168F81.1Confident85.4Confident127 Ų12743.8 Ų43.856%0.55725%0.245SC*.SBendtrans-114.578.3176.6-67.2-82.7000111.1M163 L166 Y194M163-F168 HydrophobicContact CB-CB 4.48Å; M163-F168 PolarHBondContact O-N 2.89Å; L166-F168 HydrophobicContact CB-CD2 4.23Å; F168-Y194 WeakPolarHBondContact O-CB 3.25Å
169G82.9Confident85Confident1 Ų143.9 Ų43.91%0.0124%0.241CC..  trans83.7157179.700000114.7P164P164-G169 VanDerWaalsContact CA-O 3.29Å; P164-G169 WeakPolarHBondContact CA-O 3.45Å; P164-G169 VanDerWaalsContact CB-O 3.24Å; P164-G169 WeakPolarHBondContact CB-O 3.48Å
170D84.6Confident84.9Confident99 Ų9939.7 Ų39.753%0.52922%0.216SC..  trans-110.2158.3-170.7-70.5-48.2000114.2V172 D183D170-V172 HydrophobicContact CB-CG1 4.43Å; D170-D183 PolarHBondContact O-N 3.49Å
171Y88.5Confident84.7Confident18 Ų1838.6 Ų38.67%0.07121%0.211CC..EExtended strand (participates in β ladder)trans-96.5119.4165.6-70-66.2000110.2E103 F107 T110 C161 P164 F165 F181 I182E103-Y171 HydrophobicContact CB-CD2 4.33Å; F107-Y171 HydrophobicContact CB-CE2 4.43Å; T110-Y171 HydrophobicContact CG2-CE1 4.02Å; T110-Y171 PolarHBondContact OG1-OH 3.36Å; C161-Y171 PolarHBondContact O-OH 2.8Å; P164-Y171 HydrophobicContact CB-CD2 4.11Å; P164-Y171 HydrophobicContact CB-CE2 3.66Å; P164-Y171 HydrophobicContact CG-CE2 3.78Å; F165-Y171 AromaticContact CE2-CE2 3.99Å; F165-Y171 HydrophobicContact CE2-CE2 3.99Å; F165-Y171 HydrophobicContact CZ-CE2 4.21Å; Y171-F181 CarbonylContact C-O 3.36Å; Y171-F181 WeakPolarHBondContact CA-O 3.23Å; Y171-I182 HydrophobicContact CD1-CG1 4.48Å; Y171-I182 HydrophobicContact CE1-CG1 4.03Å
172V86.6Confident84.6Confident25 Ų2538.7 Ų38.715%0.15221%0.212CC..EExtended strand (participates in β ladder)trans-118.1152.8-176.1-59.50000112.5D170 Y174 C180 F181 D183D170-V172 HydrophobicContact CB-CG1 4.43Å; V172-Y174 HydrophobicContact CG2-CD2 4.4Å; V172-Y174 HydrophobicContact CG2-CE2 3.71Å; V172-C180 WeakPolarHBondContact O-CA 3.31Å; V172-F181 PolarHBondContact N-O 2.93Å; V172-F181 PolarHBondContact O-N 3.4Å; V172-D183 HydrophobicContact CG1-CB 3.88Å; V172-D183 HydrophobicContact CG2-CB 3.87Å
173Q85.8Confident84.5Confident1 Ų136 Ų361%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-82.4130.7177.5176.7173.7-7800111.9C10 H11 N13 T89 I91 W179C10-Q173 PolarHBondContact O-NE2 3.11Å; H11-Q173 PolarHBondContact CE1-O 3.1Å; H11-Q173 PolarHBondContact ND1-O 3.5Å; H11-Q173 VanDerWaalsContact ND1-O 3.08Å; N13-Q173 PolarHBondContact O-NE2 2.9Å; T89-Q173 VanDerWaalsContact CB-OE1 3.29Å; T89-Q173 PolarHBondContact OG1-OE1 3.28Å; I91-Q173 HydrophobicContact CD1-CB 3.57Å; I91-Q173 HydrophobicContact CD1-CG 4.33Å; I91-Q173 HydrophobicContact CG1-CB 4.28Å; Q173-W179 WeakPolarHBondContact CA-O 3.14Å
174Y83.8Confident84.2Confident7 Ų732.8 Ų32.83%0.02718%0.182CC..EExtended strand (participates in β ladder)trans-101.8145.2176.5-77.2-91.8000111.6V172 G177 W179 F181 I182 M184 D290 L294V172-Y174 HydrophobicContact CG2-CD2 4.4Å; V172-Y174 HydrophobicContact CG2-CE2 3.71Å; Y174-G177 WeakPolarHBondContact O-CA 3.49Å; Y174-G177 PolarHBondContact O-N 3.42Å; Y174-W179 PolarHBondContact N-O 3.48Å; Y174-F181 HydrophobicContact CD2-CB 4.16Å; Y174-F181 HydrophobicContact CE2-CB 3.94Å; Y174-I182 PolarHBondContact OH-O 3.38Å; Y174-M184 WeakPolarHBondContact OH-CB 3.06Å; Y174-M184 WeakPolarHBondContact OH-CG 3.29Å; Y174-M184 PolarHBondContact OH-N 2.78Å; Y174-D290 HydrophobicContact CD1-CB 3.92Å; Y174-D290 HydrophobicContact CE1-CB 3.7Å; Y174-L294 HydrophobicContact CD1-CD1 4.48Å; Y174-L294 HydrophobicContact CD2-CD1 4.03Å; Y174-L294 HydrophobicContact CG-CD1 4Å
175C77.8Confident83.9Confident24 Ų2433.3 Ų33.316%0.16218%0.184CC..THydrogen-bonded Turntrans-53.3135.4174.3-58.90000111C10 H287C10-C175 HydrophobicContact CB-CB 3.85Å; C10-C175 WeakPolarHBondContact CB-SG 3.18Å; C10-C175 WeakPolarHBondContact SG-CB 3.31Å; C10-C175 CovalentContact SG-SG 2.03Å; C10-C175 PolarHBondContact SG-SG 3.26Å; C175-H287 HydrophobicContact CB-CB 4.17Å
176P75.7Confident83.5Confident38 Ų3829.1 Ų29.125%0.24717%0.166CC..THydrogen-bonded Turncis-94.727.610.439.6-38.1000114.3I16I16-P176 HydrophobicContact CG2-CB 4.36Å
177G79.8Confident82.9Confident0 Ų030.3 Ų30.30%017%0.173CC..THydrogen-bonded Turntrans93.97.7-179.900000115.2T89 I90 Y174T89-G177 WeakPolarHBondContact CA-O 3.2Å; T89-G177 VanDerWaalsContact CB-O 3.29Å; T89-G177 WeakPolarHBondContact CB-O 3.34Å; I90-G177 PolarHBondContact N-O 3.34Å; I90-G177 VanDerWaalsContact N-O 3.09Å; Y174-G177 WeakPolarHBondContact O-CA 3.49Å; Y174-G177 PolarHBondContact O-N 3.42Å
178T83.6Confident82.6Confident0 Ų032.6 Ų32.60%017%0.167CC..THydrogen-bonded Turntrans-104.98.4-179.456.10000114I16 A83 Y84 I90I16-T178 HydrophobicContact CD1-CG2 3.38Å; I16-T178 HydrophobicContact CG1-CG2 4.05Å; A83-T178 HydrophobicContact CB-CG2 3.87Å; Y84-T178 HydrophobicContact CD1-CG2 4.15Å; Y84-T178 HydrophobicContact CD2-CG2 4.32Å; Y84-T178 HydrophobicContact CE1-CG2 3.78Å; Y84-T178 HydrophobicContact CE2-CG2 3.99Å; Y84-T178 HydrophobicContact CG-CG2 4.38Å; Y84-T178 PolarHBondContact OH-OG1 2.9Å; Y84-T178 VanDerWaalsContact OH-OG1 3.08Å; I90-T178 VanDerWaalsContact CD1-O 3.28Å; I90-T178 WeakPolarHBondContact CD1-O 3.37Å
179W86.3Confident82.2Confident14 Ų1430.7 Ų30.75%0.05317%0.168CC..EExtended strand (participates in β ladder)trans-139.8133.5179.6-62.980.7000109.8F105 M109 Q173 Y174 L291 L295 S298F105-W179 HydrophobicContact CE1-CB 4.47Å; F105-W179 HydrophobicContact CE1-CE3 4.25Å; F105-W179 HydrophobicContact CZ-CE3 4.11Å; M109-W179 HydrophobicContact CE-CE3 4.08Å; M109-W179 HydrophobicContact CE-CZ3 3.85Å; M109-W179 HydrophobicContact SD-CZ3 4.32Å; Q173-W179 WeakPolarHBondContact CA-O 3.14Å; Y174-W179 PolarHBondContact N-O 3.48Å; W179-L291 HydrophobicContact CG-CD1 4.31Å; W179-L295 HydrophobicContact CH2-CD2 4.14Å; W179-L295 HydrophobicContact CZ2-CD2 3.69Å; W179-S298 WeakPolarHBondContact CH2-OG 3.34Å
180C89.4Confident81.8Confident0 Ų037.8 Ų37.80%020%0.201CC..EExtended strand (participates in β ladder)trans-115.9142.4166.2-73.30000110.3C102 F105 V172C102-C180 WeakPolarHBondContact CA-SG 3.49Å; C102-C180 HydrophobicContact CB-CB 4Å; C102-C180 WeakPolarHBondContact CB-SG 3.43Å; C102-C180 WeakPolarHBondContact O-CB 3.49Å; C102-C180 WeakPolarHBondContact SG-CB 3.3Å; C102-C180 CovalentContact SG-SG 2.04Å; C102-C180 PolarHBondContact SG-SG 3.23Å; F105-C180 HydrophobicContact CB-CB 4.31Å; F105-C180 HydrophobicContact CD1-CB 3.85Å; F105-C180 VanDerWaalsContact CD1-N 3.35Å; F105-C180 VanDerWaalsContact CD1-O 3.22Å; F105-C180 WeakPolarHBondContact CD1-O 3.14Å; F105-C180 VanDerWaalsContact CE1-N 3.33Å; F105-C180 WeakPolarHBondContact CE1-O 3.13Å; F105-C180 HydrophobicContact CG-CB 4.41Å; V172-C180 WeakPolarHBondContact O-CA 3.31Å
181F90.2Very high81.5Confident1 Ų135 Ų350%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-155.1174177-161.9-104.3000110.4M109 T110 Y171 V172 Y174 D183 M184 Y198 L271 L294 L297M109-F181 HydrophobicContact CB-CD2 4.01Å; M109-F181 HydrophobicContact CB-CE2 4.21Å; T110-F181 HydrophobicContact CG2-CD2 4.21Å; T110-F181 HydrophobicContact CG2-CE2 3.59Å; T110-F181 HydrophobicContact CG2-CZ 3.85Å; Y171-F181 CarbonylContact C-O 3.36Å; Y171-F181 WeakPolarHBondContact CA-O 3.23Å; V172-F181 PolarHBondContact N-O 2.93Å; V172-F181 PolarHBondContact O-N 3.4Å; Y174-F181 HydrophobicContact CD2-CB 4.16Å; Y174-F181 HydrophobicContact CE2-CB 3.94Å; F181-D183 PolarHBondContact O-N 3.16Å; F181-M184 HydrophobicContact CD1-CE 3.47Å; F181-M184 VanDerWaalsContact CD1-CE 3.47Å; F181-M184 HydrophobicContact CE1-CE 3.89Å; F181-M184 HydrophobicContact CG-CE 4.37Å; F181-Y198 HydrophobicContact CE1-CE1 4.47Å; F181-Y198 AromaticContact CZ-CE1 3.85Å; F181-Y198 HydrophobicContact CZ-CE1 3.85Å; F181-L271 HydrophobicContact CE1-CD1 4.27Å; F181-L271 HydrophobicContact CE1-CD2 4.32Å; F181-L271 HydrophobicContact CZ-CD2 4.16Å; F181-L294 HydrophobicContact CB-CD1 4.22Å; F181-L294 HydrophobicContact CB-CD2 3.82Å; F181-L294 HydrophobicContact CD1-CD2 3.81Å; F181-L294 HydrophobicContact CD2-CD2 3.73Å; F181-L294 HydrophobicContact CE1-CD2 4.32Å; F181-L294 HydrophobicContact CE2-CD2 4.25Å; F181-L294 HydrophobicContact CG-CD2 3.49Å; F181-L294 VanDerWaalsContact CG-CD2 3.49Å; F181-L297 HydrophobicContact CE2-CD2 4.16Å; F181-L297 HydrophobicContact CZ-CD2 4.24Å
182I89.8Confident81.2Confident2 Ų236.9 Ų36.91%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-52.3136.5171.9-45.3176.2000109.3T110 Y171 Y174 M184 Y194 P195 Y198T110-I182 HydrophobicContact CG2-CD1 3.6Å; T110-I182 HydrophobicContact CG2-CG1 3.49Å; T110-I182 VanDerWaalsContact CG2-CG1 3.49Å; Y171-I182 HydrophobicContact CD1-CG1 4.48Å; Y171-I182 HydrophobicContact CE1-CG1 4.03Å; Y174-I182 PolarHBondContact OH-O 3.38Å; I182-M184 PolarHBondContact O-N 2.91Å; I182-Y194 HydrophobicContact CB-CE1 4.38Å; I182-Y194 HydrophobicContact CD1-CD1 4.2Å; I182-Y194 HydrophobicContact CD1-CE1 3.55Å; I182-Y194 HydrophobicContact CG1-CD1 4.42Å; I182-Y194 HydrophobicContact CG1-CE1 3.76Å; I182-Y194 HydrophobicContact CG2-CD1 3.51Å; I182-Y194 HydrophobicContact CG2-CE1 3.74Å; I182-P195 HydrophobicContact CG2-CB 3.85Å; I182-P195 HydrophobicContact CG2-CG 4.45Å; I182-Y198 HydrophobicContact CD1-CD1 3.87Å; I182-Y198 HydrophobicContact CD1-CD2 3.99Å; I182-Y198 HydrophobicContact CD1-CE1 4.43Å; I182-Y198 HydrophobicContact CD1-CG 3.62Å
183D86.3Confident81.3Confident26 Ų2640 Ų4014%0.13921%0.212CC..  trans-58111.6170.3-169.1-4.8000111.2D170 V172 F181 N185 P186 P195D170-D183 PolarHBondContact O-N 3.49Å; V172-D183 HydrophobicContact CG1-CB 3.88Å; V172-D183 HydrophobicContact CG2-CB 3.87Å; F181-D183 PolarHBondContact O-N 3.16Å; D183-N185 VanDerWaalsContact OD1-C 3.31Å; D183-N185 PolarHBondContact OD1-N 3.44Å; D183-P186 HydrophobicContact CB-CB 4.49Å; D183-P186 WeakPolarHBondContact O-CD 3.39Å; D183-P186 WeakPolarHBondContact OD2-CA 3.49Å; D183-P186 WeakPolarHBondContact OD2-CB 3.49Å; D183-P195 WeakPolarHBondContact O-CB 3.34Å; D183-P195 WeakPolarHBondContact O-CG 3.27Å
184M81.6Confident81.4Confident5 Ų540.1 Ų40.13%0.02521%0.212CC..SBendtrans-86-8.6176.2-58.2-174.7-151.400113.4Y174 F181 I182 L271 R274 V275 N278 L294Y174-M184 WeakPolarHBondContact OH-CB 3.06Å; Y174-M184 WeakPolarHBondContact OH-CG 3.29Å; Y174-M184 PolarHBondContact OH-N 2.78Å; F181-M184 HydrophobicContact CD1-CE 3.47Å; F181-M184 VanDerWaalsContact CD1-CE 3.47Å; F181-M184 HydrophobicContact CE1-CE 3.89Å; F181-M184 HydrophobicContact CG-CE 4.37Å; I182-M184 PolarHBondContact O-N 2.91Å; M184-L271 HydrophobicContact CE-CD1 3.53Å; M184-L271 HydrophobicContact SD-CD1 4.38Å; M184-R274 HydrophobicContact SD-CB 4.44Å; M184-V275 HydrophobicContact CB-CG2 4.46Å; M184-V275 HydrophobicContact CG-CG2 4.03Å; M184-V275 HydrophobicContact SD-CG2 4.19Å; M184-N278 WeakPolarHBondContact O-CB 3.22Å; M184-N278 PolarHBondContact O-ND2 3.01Å; M184-L294 HydrophobicContact CE-CD1 4.47Å; M184-L294 HydrophobicContact CE-CD2 3.78Å; M184-L294 HydrophobicContact CE-CG 4.06Å
185N78.7Confident81.7Confident24 Ų2440 Ų4013%0.12821%0.213CC..SBendtrans-137.653.5178.4-171.154.4000113.4D183 L187 E285D183-N185 VanDerWaalsContact OD1-C 3.31Å; D183-N185 PolarHBondContact OD1-N 3.44Å; N185-L187 PolarHBondContact O-N 3.31Å; N185-E285 WeakPolarHBondContact ND2-CG 3.09Å; N185-E285 PolarHBondContact ND2-OE1 3.47Å
186P76.1Confident82.3Confident5 Ų540.7 Ų40.73%0.03222%0.216CC..  trans-65.9137.4-176.722-29.2000112.5D183 D191 R192D183-P186 HydrophobicContact CB-CB 4.49Å; D183-P186 WeakPolarHBondContact O-CD 3.39Å; D183-P186 WeakPolarHBondContact OD2-CA 3.49Å; D183-P186 WeakPolarHBondContact OD2-CB 3.49Å; P186-D191 HydrophobicContact CB-CB 3.71Å; P186-D191 HydrophobicContact CG-CB 4.08Å; P186-R192 HydrophobicContact CG-CB 4.44Å; P186-R192 HydrophobicContact CG-CG 3.65Å; P186-R192 PolarHBondContact O-NE 3.13Å; P186-R192 VanDerWaalsContact O-NE 3.12Å; P186-R192 PolarHBondContact O-NH2 3.13Å
187L70.7Confident83.1Confident157 Ų15741.9 Ų41.982%0.82222%0.22SC*.SBendtrans-61.5-45.1178.6-73.5134.4000110.9N185 R192N185-L187 PolarHBondContact O-N 3.31Å; L187-R192 PolarHBondContact O-NH2 3.04Å
188M74.5Confident83.7Confident110 Ų11041.9 Ų41.954%0.54222%0.22SC..SBendtrans-80.6146.9179.3-62.9-60.2-77.700111.4D191M188-D191 WeakPolarHBondContact CB-OD2 3.24Å
189P73.3Confident84.1Confident87 Ų8742 Ų4257%0.56522%0.22SC*.SBendtrans-76.2-23.3-178.530.6-34.6000113.4R192P189-R192 WeakPolarHBondContact O-CB 3.26Å; P189-R192 PolarHBondContact O-N 2.8Å
190E75.9Confident84.5Confident151 Ų15143.1 Ų43.171%0.70623%0.229SC*.SBendtrans-70.3-44.1-177.6-66.3173.2-15800110.7R192 V193E190-R192 PolarHBondContact O-N 3.26Å; E190-R192 VanDerWaalsContact O-N 3.14Å; E190-V193 WeakPolarHBondContact O-CG2 3.35Å; E190-V193 PolarHBondContact O-N 3.01Å
191D78.1Confident84.7Confident41 Ų4145 Ų4522%0.21924%0.24CC..THydrogen-bonded Turntrans-69.6-11.2179-53.9-54.4000113.9P186 M188 V193 P195P186-D191 HydrophobicContact CB-CB 3.71Å; P186-D191 HydrophobicContact CG-CB 4.08Å; M188-D191 WeakPolarHBondContact CB-OD2 3.24Å; D191-V193 PolarHBondContact O-N 3.36Å; D191-P195 WeakPolarHBondContact O-CD 3.27Å
192R82.4Confident84.8Confident57 Ų5745 Ų4522%0.21524%0.24CC..THydrogen-bonded Turntrans-69.7-21.2173.7-69.4-178.7-174.5150.117.3113.3P186 L187 P189 E190 Y194 P195 V196P186-R192 HydrophobicContact CG-CB 4.44Å; P186-R192 HydrophobicContact CG-CG 3.65Å; P186-R192 PolarHBondContact O-NE 3.13Å; P186-R192 VanDerWaalsContact O-NE 3.12Å; P186-R192 PolarHBondContact O-NH2 3.13Å; L187-R192 PolarHBondContact O-NH2 3.04Å; P189-R192 WeakPolarHBondContact O-CB 3.26Å; P189-R192 PolarHBondContact O-N 2.8Å; E190-R192 PolarHBondContact O-N 3.26Å; E190-R192 VanDerWaalsContact O-N 3.14Å; R192-Y194 PolarHBondContact O-N 3.3Å; R192-P195 WeakPolarHBondContact O-CD 3.29Å; R192-P195 WeakPolarHBondContact O-CG 3.24Å; R192-V196 WeakPolarHBondContact O-CB 3.27Å; R192-V196 VanDerWaalsContact O-CG2 3.25Å; R192-V196 WeakPolarHBondContact O-CG2 3.46Å; R192-V196 PolarHBondContact O-N 3.4Å
193V86.6Confident85Confident91 Ų9147 Ų4755%0.55225%0.251SS*.Hα-helixtrans-62.9-44.6-175.3177.60000110.7E190 D191 L197E190-V193 WeakPolarHBondContact O-CG2 3.35Å; E190-V193 PolarHBondContact O-N 3.01Å; D191-V193 PolarHBondContact O-N 3.36Å; V193-L197 WeakPolarHBondContact O-CB 3.2Å; V193-L197 PolarHBondContact O-N 3.06Å
194Y88.7Confident85.4Confident3 Ų351.1 Ų51.11%0.01227%0.272CS..Hα-helixtrans-68.3-50.9-176.5-177.3-112.7000115.6F160 M163 P164 F168 I182 R192 V196 L197 Y198F160-Y194 HydrophobicContact CD1-CE2 4.03Å; F160-Y194 HydrophobicContact CE1-CD2 4.31Å; F160-Y194 AromaticContact CE1-CE2 3.5Å; F160-Y194 HydrophobicContact CE1-CE2 3.5Å; F160-Y194 HydrophobicContact CZ-CE2 4.12Å; M163-Y194 HydrophobicContact CB-CD2 4.07Å; M163-Y194 HydrophobicContact CB-CE2 3.93Å; P164-Y194 HydrophobicContact CG-CD1 3.8Å; P164-Y194 HydrophobicContact CG-CE1 3.26Å; P164-Y194 HydrophobicContact CG-CE2 4.19Å; P164-Y194 HydrophobicContact CG-CG 4.46Å; P164-Y194 VanDerWaalsContact CG-CZ 3.49Å; F168-Y194 WeakPolarHBondContact O-CB 3.25Å; I182-Y194 HydrophobicContact CB-CE1 4.38Å; I182-Y194 HydrophobicContact CD1-CD1 4.2Å; I182-Y194 HydrophobicContact CD1-CE1 3.55Å; I182-Y194 HydrophobicContact CG1-CD1 4.42Å; I182-Y194 HydrophobicContact CG1-CE1 3.76Å; I182-Y194 HydrophobicContact CG2-CD1 3.51Å; I182-Y194 HydrophobicContact CG2-CE1 3.74Å; R192-Y194 PolarHBondContact O-N 3.3Å; Y194-V196 VanDerWaalsContact C-N 3.33Å; Y194-V196 PolarHBondContact O-N 3.33Å; Y194-L197 PolarHBondContact O-N 3.43Å; Y194-Y198 WeakPolarHBondContact O-CB 3.2Å; Y194-Y198 PolarHBondContact O-N 2.91Å
195P90.1Very high86Confident5 Ų552 Ų523%0.03228%0.276CS..Hα-helixtrans-61-41.6176.324-34.2000111.6I182 D183 D191 R192 Y198 A199 V275I182-P195 HydrophobicContact CG2-CB 3.85Å; I182-P195 HydrophobicContact CG2-CG 4.45Å; D183-P195 WeakPolarHBondContact O-CB 3.34Å; D183-P195 WeakPolarHBondContact O-CG 3.27Å; D191-P195 WeakPolarHBondContact O-CD 3.27Å; R192-P195 WeakPolarHBondContact O-CD 3.29Å; R192-P195 WeakPolarHBondContact O-CG 3.24Å; P195-Y198 PolarHBondContact O-N 3.48Å; P195-A199 WeakPolarHBondContact O-CB 3.36Å; P195-A199 PolarHBondContact O-N 2.83Å; P195-V275 HydrophobicContact CB-CG1 4.15Å; P195-V275 WeakPolarHBondContact O-CG1 3.44Å
196V90.3Very high86.6Confident37 Ų3751.2 Ų51.222%0.22427%0.273CS..Hα-helixtrans-64.1-43.8176.1174.80000110.9R192 Y194 Y198 A199 T200 V275 S279R192-V196 WeakPolarHBondContact O-CB 3.27Å; R192-V196 VanDerWaalsContact O-CG2 3.25Å; R192-V196 WeakPolarHBondContact O-CG2 3.46Å; R192-V196 PolarHBondContact O-N 3.4Å; Y194-V196 VanDerWaalsContact C-N 3.33Å; Y194-V196 PolarHBondContact O-N 3.33Å; V196-Y198 PolarHBondContact O-N 2.87Å; V196-A199 PolarHBondContact O-N 3.48Å; V196-T200 HydrophobicContact CG1-CG2 4.27Å; V196-T200 VanDerWaalsContact O-CG2 3.23Å; V196-T200 WeakPolarHBondContact O-CG2 3.24Å; V196-T200 PolarHBondContact O-N 2.85Å; V196-T200 PolarHBondContact O-OG1 3.02Å; V196-V275 HydrophobicContact CG2-CG1 4.28Å; V196-S279 WeakPolarHBondContact CG2-OG 3.45Å
197L92.2Very high87.4Confident63 Ų6356 Ų5633%0.3330%0.297SS..Hα-helixtrans-59.5-47.7175.4-175.867.3000110.8F160 M163 V193 Y194 A199 T200 V201F160-L197 HydrophobicContact CE2-CD2 3.64Å; F160-L197 HydrophobicContact CE2-CG 3.74Å; F160-L197 HydrophobicContact CZ-CB 4.35Å; F160-L197 HydrophobicContact CZ-CD2 3.87Å; F160-L197 HydrophobicContact CZ-CG 3.78Å; M163-L197 HydrophobicContact SD-CD2 4.34Å; V193-L197 WeakPolarHBondContact O-CB 3.2Å; V193-L197 PolarHBondContact O-N 3.06Å; Y194-L197 PolarHBondContact O-N 3.43Å; L197-A199 PolarHBondContact O-N 2.85Å; L197-T200 WeakPolarHBondContact CA-OG1 3.03Å; L197-T200 PolarHBondContact O-N 3.3Å; L197-T200 PolarHBondContact O-OG1 3.49Å; L197-V201 WeakPolarHBondContact O-CG2 3.46Å; L197-V201 PolarHBondContact O-N 3.24Å
198Y92.5Very high88.5Confident1 Ų149.9 Ų49.90%0.00427%0.269CS..Hα-helixtrans-56.5-49.7175.3-179-96.2000111.3T110 S113 L114 F160 F181 I182 Y194 P195 V196 T200 V201 M202 L271T110-Y198 HydrophobicContact CG2-CE2 4.29Å; S113-Y198 WeakPolarHBondContact CB-OH 3.29Å; S113-Y198 PolarHBondContact OG-OH 3.1Å; L114-Y198 HydrophobicContact CB-CE2 4.38Å; F160-Y198 HydrophobicContact CD1-CD2 4.45Å; F160-Y198 AromaticContact CE1-CD2 3.81Å; F160-Y198 HydrophobicContact CE1-CD2 3.81Å; F160-Y198 HydrophobicContact CE1-CG 4.44Å; F181-Y198 HydrophobicContact CE1-CE1 4.47Å; F181-Y198 AromaticContact CZ-CE1 3.85Å; F181-Y198 HydrophobicContact CZ-CE1 3.85Å; I182-Y198 HydrophobicContact CD1-CD1 3.87Å; I182-Y198 HydrophobicContact CD1-CD2 3.99Å; I182-Y198 HydrophobicContact CD1-CE1 4.43Å; I182-Y198 HydrophobicContact CD1-CG 3.62Å; Y194-Y198 WeakPolarHBondContact O-CB 3.2Å; Y194-Y198 PolarHBondContact O-N 2.91Å; P195-Y198 PolarHBondContact O-N 3.48Å; V196-Y198 PolarHBondContact O-N 2.87Å; Y198-T200 VanDerWaalsContact C-N 3.34Å; Y198-T200 PolarHBondContact O-N 3.26Å; Y198-V201 PolarHBondContact O-N 2.95Å; Y198-M202 HydrophobicContact CD1-CG 3.87Å; Y198-M202 HydrophobicContact CE1-CE 4.44Å; Y198-M202 HydrophobicContact CE1-CG 3.6Å; Y198-M202 HydrophobicContact CE1-SD 3.77Å; Y198-M202 HydrophobicContact CE2-CG 4.44Å; Y198-M202 HydrophobicContact CE2-SD 4.25Å; Y198-M202 HydrophobicContact CG-CG 4.39Å; Y198-M202 VanDerWaalsContact CZ-SD 3.58Å; Y198-M202 WeakPolarHBondContact O-CB 3.49Å; Y198-M202 WeakPolarHBondContact O-CG 3.3Å; Y198-M202 PolarHBondContact O-N 3.45Å; Y198-M202 PolarHBondContact OH-SD 3.43Å; Y198-L271 HydrophobicContact CE1-CD2 3.84Å
199A92.7Very high89.3Confident1 Ų144.9 Ų44.91%0.00825%0.245CC..Hα-helixtrans-61.4-37.2177.200000113.3P195 V196 L197 L203 V275 Y276P195-A199 WeakPolarHBondContact O-CB 3.36Å; P195-A199 PolarHBondContact O-N 2.83Å; V196-A199 PolarHBondContact O-N 3.48Å; L197-A199 PolarHBondContact O-N 2.85Å; A199-L203 VanDerWaalsContact O-CB 3.28Å; A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 3.36Å; A199-V275 HydrophobicContact CB-CB 3.83Å; A199-V275 HydrophobicContact CB-CG1 3.66Å; A199-V275 HydrophobicContact CB-CG2 4.3Å; A199-Y276 HydrophobicContact CB-CE2 4.5Å
200T93.5Very high90.1Very high39 Ų3942.8 Ų42.824%0.23924%0.235CC..Hα-helixtrans-66.8-42.1174.964.20000112V196 L197 Y198 L203 I204 Y276V196-T200 HydrophobicContact CG1-CG2 4.27Å; V196-T200 VanDerWaalsContact O-CG2 3.23Å; V196-T200 WeakPolarHBondContact O-CG2 3.24Å; V196-T200 PolarHBondContact O-N 2.85Å; V196-T200 PolarHBondContact O-OG1 3.02Å; L197-T200 WeakPolarHBondContact CA-OG1 3.03Å; L197-T200 PolarHBondContact O-N 3.3Å; L197-T200 PolarHBondContact O-OG1 3.49Å; Y198-T200 VanDerWaalsContact C-N 3.34Å; Y198-T200 PolarHBondContact O-N 3.26Å; T200-L203 PolarHBondContact O-N 3.49Å; T200-I204 WeakPolarHBondContact O-CB 3.31Å; T200-I204 WeakPolarHBondContact O-CD1 3.36Å; T200-I204 VanDerWaalsContact O-CG1 3.23Å; T200-I204 WeakPolarHBondContact O-CG1 3.44Å; T200-I204 PolarHBondContact O-N 2.89Å; T200-Y276 HydrophobicContact CG2-CE1 4.38Å; T200-Y276 WeakPolarHBondContact CG2-OH 3.35Å
201V94.6Very high90.8Very high39 Ų3938.6 Ų38.624%0.23623%0.226CC..Hα-helixtrans-65.3-46.1177.4173.30000110.6L114 F160 L197 Y198 L203 I204 L205L114-V201 HydrophobicContact CD1-CG1 3.73Å; F160-V201 HydrophobicContact CE2-CG2 3.99Å; F160-V201 HydrophobicContact CZ-CG2 4.41Å; L197-V201 WeakPolarHBondContact O-CG2 3.46Å; L197-V201 PolarHBondContact O-N 3.24Å; Y198-V201 PolarHBondContact O-N 2.95Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3Å; V201-I204 PolarHBondContact O-N 3.45Å; V201-L205 HydrophobicContact CG1-CD1 3.97Å; V201-L205 WeakPolarHBondContact O-CB 3.44Å; V201-L205 WeakPolarHBondContact O-CG 3.37Å; V201-L205 PolarHBondContact O-N 3.34Å
202M92.8Very high91.4Very high0 Ų037.6 Ų37.60%022%0.222CC..Hα-helixtrans-53-50.6172-66.9-79.6-63.200111L117 Y198 L205 V206 L271 V272 L297L117-M202 HydrophobicContact CD1-CB 4.4Å; L117-M202 HydrophobicContact CD1-CE 3.61Å; L117-M202 HydrophobicContact CD1-CG 4.4Å; L117-M202 HydrophobicContact CD1-SD 3.27Å; L117-M202 WeakPolarHBondContact CD1-SD 3.22Å; Y198-M202 HydrophobicContact CD1-CG 3.87Å; Y198-M202 HydrophobicContact CE1-CE 4.44Å; Y198-M202 HydrophobicContact CE1-CG 3.6Å; Y198-M202 HydrophobicContact CE1-SD 3.77Å; Y198-M202 HydrophobicContact CE2-CG 4.44Å; Y198-M202 HydrophobicContact CE2-SD 4.25Å; Y198-M202 HydrophobicContact CG-CG 4.39Å; Y198-M202 VanDerWaalsContact CZ-SD 3.58Å; Y198-M202 WeakPolarHBondContact O-CB 3.49Å; Y198-M202 WeakPolarHBondContact O-CG 3.3Å; Y198-M202 PolarHBondContact O-N 3.45Å; Y198-M202 PolarHBondContact OH-SD 3.43Å; M202-L205 PolarHBondContact O-N 2.95Å; M202-V206 WeakPolarHBondContact O-CB 3.46Å; M202-V206 VanDerWaalsContact O-CG2 3.25Å; M202-V206 WeakPolarHBondContact O-CG2 3.27Å; M202-V206 PolarHBondContact O-N 2.95Å; M202-L271 HydrophobicContact CE-CD2 4.47Å; M202-V272 HydrophobicContact CB-CG2 3.89Å; M202-L297 HydrophobicContact CE-CD1 3.77Å
203L93.7Very high91.7Very high46 Ų4635.4 Ų35.424%0.24121%0.214CC..Hα-helixtrans-63.9-44-179.3-178.560.1000112.5A199 T200 V201 V206 L207 V272 Y276A199-L203 VanDerWaalsContact O-CB 3.28Å; A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 3.36Å; T200-L203 PolarHBondContact O-N 3.49Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3Å; L203-V206 PolarHBondContact O-N 3.46Å; L203-L207 HydrophobicContact CD1-CD1 4.03Å; L203-L207 HydrophobicContact CD1-CG 4.07Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.38Å; L203-L207 WeakPolarHBondContact O-CB 3.41Å; L203-L207 VanDerWaalsContact O-CG 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.23Å; L203-L207 PolarHBondContact O-N 3.26Å; L203-V272 HydrophobicContact CB-CG1 4.09Å; L203-V272 HydrophobicContact CD1-CG1 4.43Å; L203-V272 HydrophobicContact CD2-CG1 4.49Å; L203-Y276 HydrophobicContact CD2-CE2 4.01Å
204I95Very high91.7Very high112 Ų11234 Ų3457%0.57421%0.212SC*.Hα-helixtrans-61.9-44.7177.8-71.6164.4000110.4T200 V201 L207 A208T200-I204 WeakPolarHBondContact O-CB 3.31Å; T200-I204 WeakPolarHBondContact O-CD1 3.36Å; T200-I204 VanDerWaalsContact O-CG1 3.23Å; T200-I204 WeakPolarHBondContact O-CG1 3.44Å; T200-I204 PolarHBondContact O-N 2.89Å; V201-I204 PolarHBondContact O-N 3.45Å; I204-L207 PolarHBondContact O-N 2.95Å; I204-A208 VanDerWaalsContact O-CB 3.23Å; I204-A208 WeakPolarHBondContact O-CB 3.29Å; I204-A208 PolarHBondContact O-N 3.21Å
205L94Very high91.7Very high23 Ų2337.8 Ų37.812%0.1223%0.229CC..Hα-helixtrans-62.2-46.3176.4-70.7169.3000111.2L114 L117 F121 V201 M202 L207 A208 I209L114-L205 HydrophobicContact CD1-CD1 3.75Å; L117-L205 HydrophobicContact CB-CD1 4.1Å; L117-L205 HydrophobicContact CD1-CD1 4.41Å; L117-L205 HydrophobicContact CD2-CB 4.02Å; F121-L205 HydrophobicContact CB-CD2 4.15Å; F121-L205 HydrophobicContact CD1-CD2 4.2Å; F121-L205 HydrophobicContact CG-CD2 4.2Å; V201-L205 HydrophobicContact CG1-CD1 3.97Å; V201-L205 WeakPolarHBondContact O-CB 3.44Å; V201-L205 WeakPolarHBondContact O-CG 3.37Å; V201-L205 PolarHBondContact O-N 3.34Å; M202-L205 PolarHBondContact O-N 2.95Å; L205-L207 PolarHBondContact O-N 3.32Å; L205-A208 PolarHBondContact O-N 3.4Å; L205-I209 VanDerWaalsContact O-CB 3.27Å; L205-I209 WeakPolarHBondContact O-CB 3.32Å; L205-I209 WeakPolarHBondContact O-CD1 3.42Å; L205-I209 WeakPolarHBondContact O-CG1 3.12Å; L205-I209 PolarHBondContact O-N 3.14Å
206V91.3Very high91.3Very high8 Ų837.8 Ų37.85%0.04823%0.229CC..Hα-helixtrans-58.7-46.7176.3169.40000112.2L117 M202 L203 I209 A210 F264 V265L117-V206 HydrophobicContact CD2-CG2 4.19Å; M202-V206 WeakPolarHBondContact O-CB 3.46Å; M202-V206 VanDerWaalsContact O-CG2 3.25Å; M202-V206 WeakPolarHBondContact O-CG2 3.27Å; M202-V206 PolarHBondContact O-N 2.95Å; L203-V206 PolarHBondContact O-N 3.46Å; V206-I209 PolarHBondContact O-N 2.62Å; V206-A210 WeakPolarHBondContact O-CB 3.44Å; V206-A210 PolarHBondContact O-N 2.7Å; V206-F264 HydrophobicContact CG2-CD1 3.87Å; V206-F264 HydrophobicContact CG2-CE1 3.59Å; V206-V265 HydrophobicContact CG1-CG2 3.73Å
207L92.9Very high91Very high104 Ų10439.1 Ų39.155%0.54524%0.237SC..Hα-helixtrans-66.6-40.5178.8-70.2173.6000111.9L203 I204 L205 A210 A211L203-L207 HydrophobicContact CD1-CD1 4.03Å; L203-L207 HydrophobicContact CD1-CG 4.07Å; L203-L207 HydrophobicContact CG-CD1 3.94Å; L203-L207 HydrophobicContact CG-CG 4.38Å; L203-L207 WeakPolarHBondContact O-CB 3.41Å; L203-L207 VanDerWaalsContact O-CG 3.28Å; L203-L207 WeakPolarHBondContact O-CG 3.23Å; L203-L207 PolarHBondContact O-N 3.26Å; I204-L207 PolarHBondContact O-N 2.95Å; L205-L207 PolarHBondContact O-N 3.32Å; L207-A210 PolarHBondContact O-N 2.92Å; L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.46Å; L207-A211 PolarHBondContact O-N 3.4Å
208A93.7Very high90.6Very high29 Ų2943.2 Ų43.224%0.2425%0.249CC..Hα-helixtrans-64.9-43.1176.500000111.7F121 I204 L205 A211 C212F121-A208 HydrophobicContact CD2-CB 3.97Å; F121-A208 HydrophobicContact CE2-CB 3.68Å; F121-A208 HydrophobicContact CZ-CB 4.49Å; I204-A208 VanDerWaalsContact O-CB 3.23Å; I204-A208 WeakPolarHBondContact O-CB 3.29Å; I204-A208 PolarHBondContact O-N 3.21Å; L205-A208 PolarHBondContact O-N 3.4Å; A208-A211 PolarHBondContact O-N 2.93Å; A208-C212 VanDerWaalsContact O-CB 3.27Å; A208-C212 WeakPolarHBondContact O-CB 3.47Å; A208-C212 PolarHBondContact O-N 3.5Å; A208-C212 PolarHBondContact O-SG 3.04Å
209I90.8Very high90.1Very high5 Ų545.8 Ų45.83%0.02626%0.261CS..Hα-helixtrans-58-49.6172.4-74.8165.2000110.8L117 L120 F121 L205 V206 C212 N213 T261L117-I209 HydrophobicContact CD2-CD1 3.59Å; L120-I209 HydrophobicContact CB-CD1 4.02Å; F121-I209 HydrophobicContact CB-CD1 4.04Å; F121-I209 HydrophobicContact CB-CG1 3.77Å; F121-I209 HydrophobicContact CD2-CG1 4.1Å; F121-I209 HydrophobicContact CG-CG1 4.44Å; L205-I209 VanDerWaalsContact O-CB 3.27Å; L205-I209 WeakPolarHBondContact O-CB 3.32Å; L205-I209 WeakPolarHBondContact O-CD1 3.42Å; L205-I209 WeakPolarHBondContact O-CG1 3.12Å; L205-I209 PolarHBondContact O-N 3.14Å; V206-I209 PolarHBondContact O-N 2.62Å; I209-C212 WeakPolarHBondContact O-CB 3.47Å; I209-C212 PolarHBondContact O-N 3.31Å; I209-N213 PolarHBondContact O-N 3.02Å; I209-T261 HydrophobicContact CG2-CG2 3.15Å
210A89.9Confident89.4Confident44 Ų4448.2 Ų48.236%0.36427%0.273SS..Hα-helixtrans-63.8-42.9-179.900000112.2V206 L207 N213 A214V206-A210 WeakPolarHBondContact O-CB 3.44Å; V206-A210 PolarHBondContact O-N 2.7Å; L207-A210 PolarHBondContact O-N 2.92Å; A210-N213 PolarHBondContact O-N 2.94Å; A210-A214 WeakPolarHBondContact O-CB 3.31Å; A210-A214 PolarHBondContact O-N 3Å
211A91.6Very high88.7Confident62 Ų6250 Ų5051%0.51228%0.284SS..Hα-helixtrans-63.7-43176.100000112.1L207 A208 N213 A214 F215L207-A211 VanDerWaalsContact O-CB 3.31Å; L207-A211 WeakPolarHBondContact O-CB 3.46Å; L207-A211 PolarHBondContact O-N 3.4Å; A208-A211 PolarHBondContact O-N 2.93Å; A211-N213 VanDerWaalsContact C-N 3.35Å; A211-N213 PolarHBondContact O-N 3.3Å; A211-A214 PolarHBondContact O-N 3.07Å; A211-F215 WeakPolarHBondContact O-CB 3.5Å; A211-F215 PolarHBondContact O-N 3.14Å
212C89.8Confident88.2Confident21 Ų2150.3 Ų50.314%0.14228%0.284CS..Hα-helixtrans-56-48.6173.1-77.90000111.5A124 C128 A208 I209 F215 V216A124-C212 HydrophobicContact CB-CB 3.81Å; C128-C212 VanDerWaalsContact SG-C 3.52Å; C128-C212 WeakPolarHBondContact SG-CA 3.33Å; C128-C212 WeakPolarHBondContact SG-CB 3.36Å; C128-C212 PolarHBondContact SG-O 3.5Å; C128-C212 VanDerWaalsContact SG-SG 3.7Å; A208-C212 VanDerWaalsContact O-CB 3.27Å; A208-C212 WeakPolarHBondContact O-CB 3.47Å; A208-C212 PolarHBondContact O-N 3.5Å; A208-C212 PolarHBondContact O-SG 3.04Å; I209-C212 WeakPolarHBondContact O-CB 3.47Å; I209-C212 PolarHBondContact O-N 3.31Å; C212-F215 WeakPolarHBondContact O-CB 3.3Å; C212-F215 PolarHBondContact O-N 2.76Å; C212-V216 WeakPolarHBondContact O-CG2 3.44Å; C212-V216 PolarHBondContact O-N 3.06Å
213N88.3Confident87.4Confident10 Ų1053.5 Ų53.55%0.05330%0.3CS..Hα-helixtrans-67.7-41.8-179.5-76.513.8000112.6I209 A210 A211 F215 V216 V217 L257 T261I209-N213 PolarHBondContact O-N 3.02Å; A210-N213 PolarHBondContact O-N 2.94Å; A211-N213 VanDerWaalsContact C-N 3.35Å; A211-N213 PolarHBondContact O-N 3.3Å; N213-F215 VanDerWaalsContact C-N 3.33Å; N213-F215 PolarHBondContact O-N 3.43Å; N213-V216 PolarHBondContact O-N 3.41Å; N213-V217 WeakPolarHBondContact O-CG2 3.45Å; N213-V217 PolarHBondContact O-N 3.49Å; N213-L257 WeakPolarHBondContact ND2-CD2 3.4Å; N213-L257 PolarHBondContact ND2-O 3.35Å; N213-L257 WeakPolarHBondContact OD1-CD2 3.2Å; N213-T261 WeakPolarHBondContact ND2-CG2 3.26Å; N213-T261 PolarHBondContact ND2-OG1 3.32Å
214A87.4Confident86.6Confident61 Ų6159.2 Ų59.250%0.50432%0.319SS..Hα-helixtrans-60.1-43.1174.600000111.7A210 A211 V217 Y218A210-A214 WeakPolarHBondContact O-CB 3.31Å; A210-A214 PolarHBondContact O-N 3Å; A211-A214 PolarHBondContact O-N 3.07Å; A214-V217 PolarHBondContact O-N 2.96Å; A214-Y218 VanDerWaalsContact O-CB 3.31Å; A214-Y218 WeakPolarHBondContact O-CB 3.45Å; A214-Y218 PolarHBondContact O-N 2.84Å
215F88.1Confident85.9Confident84 Ų8462 Ų6237%0.36832%0.323SS..Hα-helixtrans-60.3-45.8175.1173.6-95000112.2C128 A211 C212 N213 Y218 H219C128-F215 HydrophobicContact CB-CD1 4.33Å; A211-F215 WeakPolarHBondContact O-CB 3.5Å; A211-F215 PolarHBondContact O-N 3.14Å; C212-F215 WeakPolarHBondContact O-CB 3.3Å; C212-F215 PolarHBondContact O-N 2.76Å; N213-F215 VanDerWaalsContact C-N 3.33Å; N213-F215 PolarHBondContact O-N 3.43Å; F215-Y218 PolarHBondContact O-N 3.34Å; F215-H219 AromaticContact CD2-CD2 3.78Å; F215-H219 AromaticContact CE1-CD2 4Å; F215-H219 AromaticContact CE2-CD2 3.38Å; F215-H219 WeakPolarHBondContact CE2-CD2 3.25Å; F215-H219 AromaticContact CE2-NE2 3.24Å; F215-H219 WeakPolarHBondContact CE2-NE2 3.41Å; F215-H219 AromaticContact CZ-CD2 3.5Å; F215-H219 VanDerWaalsContact CZ-CD2 3.5Å; F215-H219 WeakPolarHBondContact CZ-CD2 3.2Å; F215-H219 AromaticContact CZ-NE2 3.46Å; F215-H219 WeakPolarHBondContact CZ-NE2 3.24Å; F215-H219 PolarHBondContact O-CD2 3.46Å; F215-H219 PolarHBondContact O-N 2.84Å
216V82.9Confident85.2Confident4 Ų468.4 Ų68.42%0.02435%0.345CS..Hα-helixtrans-63.1-46.5177.6168.50000111.6R127 C128 I131 C212 N213 Y218 H219 L220 L254R127-V216 HydrophobicContact CB-CG2 4.35Å; C128-V216 HydrophobicContact CB-CG2 4.25Å; I131-V216 HydrophobicContact CD1-CG1 3.58Å; C212-V216 WeakPolarHBondContact O-CG2 3.44Å; C212-V216 PolarHBondContact O-N 3.06Å; N213-V216 PolarHBondContact O-N 3.41Å; V216-Y218 PolarHBondContact O-N 3.2Å; V216-H219 PolarHBondContact O-N 2.94Å; V216-L220 VanDerWaalsContact O-CB 3.31Å; V216-L220 WeakPolarHBondContact O-CB 3.29Å; V216-L220 PolarHBondContact O-N 3.13Å; V216-L254 HydrophobicContact CG1-CD1 3.77Å; V216-L254 HydrophobicContact CG1-CD2 3.62Å; V216-L254 HydrophobicContact CG1-CG 4.24Å
217V82.4Confident84.2Confident65 Ų6574 Ų7439%0.39437%0.366SS..Hα-helixtrans-61.3-44.5176.9170.80000110.8N213 A214 L220 V221 V258N213-V217 WeakPolarHBondContact O-CG2 3.45Å; N213-V217 PolarHBondContact O-N 3.49Å; A214-V217 PolarHBondContact O-N 2.96Å; V217-L220 PolarHBondContact O-N 3.42Å; V217-V221 HydrophobicContact CG1-CG2 4.37Å; V217-V221 WeakPolarHBondContact O-CB 3.5Å; V217-V221 WeakPolarHBondContact O-CG2 3.44Å; V217-V221 PolarHBondContact O-N 2.85Å; V217-V258 HydrophobicContact CG2-CG2 3.94Å
218Y85.2Confident83.4Confident150 Ų15077 Ų7759%0.58837%0.374SS*.Hα-helixtrans-58.5-51.1176.7174.1-94.1000112.2A214 F215 V216 L220 V221 L222A214-Y218 VanDerWaalsContact O-CB 3.31Å; A214-Y218 WeakPolarHBondContact O-CB 3.45Å; A214-Y218 PolarHBondContact O-N 2.84Å; F215-Y218 PolarHBondContact O-N 3.34Å; V216-Y218 PolarHBondContact O-N 3.2Å; Y218-L220 VanDerWaalsContact C-N 3.31Å; Y218-L220 PolarHBondContact O-N 2.88Å; Y218-V221 PolarHBondContact O-N 3.47Å; Y218-L222 HydrophobicContact CE1-CD2 4.22Å; Y218-L222 WeakPolarHBondContact O-CB 3.45Å; Y218-L222 PolarHBondContact O-N 3.12Å
219H81.6Confident82.5Confident55 Ų5582.2 Ų82.226%0.25540%0.398SS..Hα-helixtrans-62.5-38.7178.5-90.6-94.8000112.2I131 F215 V216 L222 M223I131-H219 HydrophobicContact CG2-CB 4.29Å; F215-H219 AromaticContact CD2-CD2 3.78Å; F215-H219 AromaticContact CE1-CD2 4Å; F215-H219 AromaticContact CE2-CD2 3.38Å; F215-H219 WeakPolarHBondContact CE2-CD2 3.25Å; F215-H219 AromaticContact CE2-NE2 3.24Å; F215-H219 WeakPolarHBondContact CE2-NE2 3.41Å; F215-H219 AromaticContact CZ-CD2 3.5Å; F215-H219 VanDerWaalsContact CZ-CD2 3.5Å; F215-H219 WeakPolarHBondContact CZ-CD2 3.2Å; F215-H219 AromaticContact CZ-NE2 3.46Å; F215-H219 WeakPolarHBondContact CZ-NE2 3.24Å; F215-H219 PolarHBondContact O-CD2 3.46Å; F215-H219 PolarHBondContact O-N 2.84Å; V216-H219 PolarHBondContact O-N 2.94Å; H219-L222 PolarHBondContact O-N 3.3Å; H219-M223 WeakPolarHBondContact O-CB 3.46Å; H219-M223 VanDerWaalsContact O-CG 3.3Å; H219-M223 WeakPolarHBondContact O-CG 3.14Å; H219-M223 PolarHBondContact O-N 2.84Å
220L77.8Confident81.3Confident51 Ų5188 Ų8827%0.26743%0.429SS..Hα-helixtrans-65.1-45.8177-171.973.1000112.1V216 V217 Y218 L222 M223 Y224 V251 L254V216-L220 VanDerWaalsContact O-CB 3.31Å; V216-L220 WeakPolarHBondContact O-CB 3.29Å; V216-L220 PolarHBondContact O-N 3.13Å; V217-L220 PolarHBondContact O-N 3.42Å; Y218-L220 VanDerWaalsContact C-N 3.31Å; Y218-L220 PolarHBondContact O-N 2.88Å; L220-L222 VanDerWaalsContact C-N 3.33Å; L220-L222 PolarHBondContact O-N 3.27Å; L220-M223 PolarHBondContact O-N 2.9Å; L220-Y224 WeakPolarHBondContact O-CB 3.14Å; L220-Y224 PolarHBondContact O-N 3.42Å; L220-V251 HydrophobicContact CD1-CG2 3.49Å; L220-V251 VanDerWaalsContact CD1-CG2 3.49Å; L220-V251 HydrophobicContact CD2-CG1 4.1Å; L220-V251 HydrophobicContact CD2-CG2 3.78Å; L220-V251 HydrophobicContact CG-CG2 4.23Å; L220-L254 HydrophobicContact CD2-CD1 4.07Å
221V79.8Confident79.8Confident76 Ų7687.9 Ų87.946%0.46143%0.431SS..Hα-helixtrans-62.7-40.7175.8170.10000110.8V217 Y218 Y224 R225V217-V221 HydrophobicContact CG1-CG2 4.37Å; V217-V221 WeakPolarHBondContact O-CB 3.5Å; V217-V221 WeakPolarHBondContact O-CG2 3.44Å; V217-V221 PolarHBondContact O-N 2.85Å; Y218-V221 PolarHBondContact O-N 3.47Å; V221-Y224 PolarHBondContact O-N 3.42Å; V221-R225 HydrophobicContact CG1-CG 4.45Å; V221-R225 WeakPolarHBondContact O-CG 3.5Å; V221-R225 PolarHBondContact O-N 2.91Å
222L83.2Confident78Confident47 Ų4788.9 Ų88.925%0.24645%0.447CS..Hα-helixtrans-62.8-44175.5-177.960.7000111.8Y218 H219 L220 R225 R226Y218-L222 HydrophobicContact CE1-CD2 4.22Å; Y218-L222 WeakPolarHBondContact O-CB 3.45Å; Y218-L222 PolarHBondContact O-N 3.12Å; H219-L222 PolarHBondContact O-N 3.3Å; L220-L222 VanDerWaalsContact C-N 3.33Å; L220-L222 PolarHBondContact O-N 3.27Å; L222-R225 PolarHBondContact O-N 3.38Å; L222-R226 HydrophobicContact CD1-CG 4.44Å; L222-R226 WeakPolarHBondContact O-CB 3.33Å; L222-R226 VanDerWaalsContact O-CG 3.29Å; L222-R226 WeakPolarHBondContact O-CG 3.28Å; L222-R226 PolarHBondContact O-N 3.38Å
223M76.8Confident76.1Confident67 Ų6792.2 Ų92.233%0.3347%0.471SS..Hα-helixtrans-62.1-41173.7-74.217467.600112H219 L220 R227 M247H219-M223 WeakPolarHBondContact O-CB 3.46Å; H219-M223 VanDerWaalsContact O-CG 3.3Å; H219-M223 WeakPolarHBondContact O-CG 3.14Å; H219-M223 PolarHBondContact O-N 2.84Å; L220-M223 PolarHBondContact O-N 2.9Å; M223-R227 WeakPolarHBondContact O-CB 3.29Å; M223-R227 VanDerWaalsContact O-CG 3.29Å; M223-R227 WeakPolarHBondContact O-CG 3.21Å; M223-R227 PolarHBondContact O-N 3.42Å; M223-M247 HydrophobicContact CE-SD 4.49Å
224Y75.3Confident74.2Confident165 Ų16597.1 Ų97.165%0.64750%0.501SS*.Hα-helixtrans-64.2-47.6176.4-177.3-100.8000111.9L220 V221 R227 K228L220-Y224 WeakPolarHBondContact O-CB 3.14Å; L220-Y224 PolarHBondContact O-N 3.42Å; V221-Y224 PolarHBondContact O-N 3.42Å; Y224-R227 PolarHBondContact O-N 2.91Å; Y224-K228 PolarHBondContact O-N 3.18Å
225R80.5Confident72.4Confident170 Ų170100.7 Ų100.764%0.64252%0.517SS*.Hα-helixtrans-60.8-47.4176.2-70.8-177.278-175.44.7111.7V221 L222 R227 K228 L229V221-R225 HydrophobicContact CG1-CG 4.45Å; V221-R225 WeakPolarHBondContact O-CG 3.5Å; V221-R225 PolarHBondContact O-N 2.91Å; L222-R225 PolarHBondContact O-N 3.38Å; R225-R227 VanDerWaalsContact C-N 3.3Å; R225-R227 PolarHBondContact O-N 3.49Å; R225-K228 PolarHBondContact O-N 3.47Å; R225-L229 WeakPolarHBondContact O-CG 3.19Å; R225-L229 PolarHBondContact O-N 3.08Å
226R80.6Confident70.4Confident158 Ų158100.5 Ų100.560%0.59652%0.523SS*.Hα-helixtrans-58.2-39.9175.8-73.4175.8-179.4-171.31.2112.1L222 N230L222-R226 HydrophobicContact CD1-CG 4.44Å; L222-R226 WeakPolarHBondContact O-CB 3.33Å; L222-R226 VanDerWaalsContact O-CG 3.29Å; L222-R226 WeakPolarHBondContact O-CG 3.28Å; L222-R226 PolarHBondContact O-N 3.38Å; R226-N230 WeakPolarHBondContact O-CB 3.27Å; R226-N230 PolarHBondContact O-N 2.95Å
227R69.8Low69Low127 Ų127110.6 Ų110.648%0.47956%0.56SS.*Hα-helixtrans-71-34.5176-74.5176.9-176175.16.3113.5M223 Y224 R225 G231 M247M223-R227 WeakPolarHBondContact O-CB 3.29Å; M223-R227 VanDerWaalsContact O-CG 3.29Å; M223-R227 WeakPolarHBondContact O-CG 3.21Å; M223-R227 PolarHBondContact O-N 3.42Å; Y224-R227 PolarHBondContact O-N 2.91Å; R225-R227 VanDerWaalsContact C-N 3.3Å; R225-R227 PolarHBondContact O-N 3.49Å; R227-G231 WeakPolarHBondContact O-CA 3.26Å; R227-G231 PolarHBondContact O-N 3.33Å; R227-G231 VanDerWaalsContact O-N 3.12Å; R227-M247 PolarHBondContact NH2-SD 3.19Å; R227-M247 VanDerWaalsContact NH2-SD 3.39Å
228K74.9Confident67.5Low165 Ų165112.3 Ų112.372%0.71758%0.575SS**Hα-helixtrans-65.9-42174.4-173.1176.3179-179.90111.1Y224 R225 G231Y224-K228 PolarHBondContact O-N 3.18Å; R225-K228 PolarHBondContact O-N 3.47Å; K228-G231 PolarHBondContact O-N 3.2Å
229L75.1Confident65.9Low140 Ų140112.4 Ų112.473%0.73358%0.579SS**Hα-helixtrans-68.6-46.8176.8-66167.6000111.8R225 G231R225-L229 WeakPolarHBondContact O-CG 3.19Å; R225-L229 PolarHBondContact O-N 3.08Å; L229-G231 PolarHBondContact O-N 3.26Å; L229-G231 VanDerWaalsContact O-N 3.14Å
230N66.1Low64.4Low127 Ų127114.3 Ų114.368%0.67959%0.586SS**G310 helixtrans-82.719.1177.5-64.78.1000113.1R226 G232R226-N230 WeakPolarHBondContact O-CB 3.27Å; R226-N230 PolarHBondContact O-N 2.95Å; N230-G232 VanDerWaalsContact C-N 3.25Å; N230-G232 PolarHBondContact O-N 3.22Å
231G58.5Low62.9Low41 Ų41116.5 Ų116.542%0.42360%0.598SS.*G310 helixtrans-68.4-22.2-176.500000114.2R227 K228 L229R227-G231 WeakPolarHBondContact O-CA 3.26Å; R227-G231 PolarHBondContact O-N 3.33Å; R227-G231 VanDerWaalsContact O-N 3.12Å; K228-G231 PolarHBondContact O-N 3.2Å; L229-G231 PolarHBondContact O-N 3.26Å; L229-G231 VanDerWaalsContact O-N 3.14Å
232G53.7Low61.4Low82 Ų82123 Ų12385%0.84562%0.615SS**G310 helixtrans-89.20.2-168.300000117.8N230N230-G232 VanDerWaalsContact C-N 3.25Å; N230-G232 PolarHBondContact O-N 3.22Å
233S51.1Low59.8Low92 Ų92128.6 Ų128.664%0.64363%0.632SS**SBendtrans-134.3144.2-176.4-160.50000115.6
234V47.5Very low58.4Low113 Ų113129 Ų12969%0.68564%0.638SS**  trans64.7113.7174.6-160.80000118.8T236V234-T236 PolarHBondContact O-N 3.06Å
235T48.6Very low57Low135 Ų135126.9 Ų126.983%0.82864%0.638SS**  trans-60.393174.138.10000115.4
236T47.4Very low55.6Low80 Ų80120.4 Ų120.449%0.49162%0.619SS.*  trans-140.953.7158.851.10000113.3V234 S238 K239 K240V234-T236 PolarHBondContact O-N 3.06Å; T236-S238 PolarHBondContact O-N 3.27Å; T236-S238 VanDerWaalsContact O-N 3.16Å; T236-K239 PolarHBondContact O-N 2.86Å; T236-K239 VanDerWaalsContact O-N 3.17Å; T236-K240 WeakPolarHBondContact O-CB 3.31Å; T236-K240 PolarHBondContact O-N 3.08Å
237R53.1Low54.2Low216 Ų216115.3 Ų115.382%0.81560%0.602SS**Hα-helixtrans-40.2-55-175.8-97.8178.9168157.4-3.7114.1K239 K240 D241R237-K239 PolarHBondContact O-N 3.36Å; R237-K240 CarbonylContact O-C 3.15Å; R237-K240 WeakPolarHBondContact O-CA 3.35Å; R237-K240 WeakPolarHBondContact O-CB 3.35Å; R237-K240 PolarHBondContact O-N 3.13Å; R237-D241 PolarHBondContact O-N 3Å
238S51.8Low53.4Low101 Ų101111.4 Ų111.471%0.70660%0.597SS**Hα-helixtrans-60.7-43.6-176.5178.60000114.9T236 K240 R242T236-S238 PolarHBondContact O-N 3.27Å; T236-S238 VanDerWaalsContact O-N 3.16Å; S238-K240 VanDerWaalsContact C-N 3.31Å; S238-R242 WeakPolarHBondContact O-CB 3.23Å; S238-R242 PolarHBondContact O-N 3.15Å
239K51.3Low52.4Low152 Ų152106.5 Ų106.566%0.66158%0.576SS**Hα-helixtrans-77.3-15.9175.5-80.1-177.2179.2175.20113.2T236 R237 R243T236-K239 PolarHBondContact O-N 2.86Å; T236-K239 VanDerWaalsContact O-N 3.17Å; R237-K239 PolarHBondContact O-N 3.36Å; K239-R243 PolarHBondContact O-NE 3.11Å; K239-R243 VanDerWaalsContact O-NE 3.12Å
240K49.8Very low51.6Low96 Ų96101.8 Ų101.842%0.41755%0.551SS.*Hα-helixtrans-82.4-53.2175.2-161.8171.6-176.4174.60109.6T236 R237 S238 R242 R243 V244T236-K240 WeakPolarHBondContact O-CB 3.31Å; T236-K240 PolarHBondContact O-N 3.08Å; R237-K240 CarbonylContact O-C 3.15Å; R237-K240 WeakPolarHBondContact O-CA 3.35Å; R237-K240 WeakPolarHBondContact O-CB 3.35Å; R237-K240 PolarHBondContact O-N 3.13Å; S238-K240 VanDerWaalsContact C-N 3.31Å; K240-R242 PolarHBondContact O-N 3.47Å; K240-R243 CarbonylContact O-C 3.36Å; K240-R243 PolarHBondContact O-N 2.8Å; K240-R243 VanDerWaalsContact O-N 3.09Å; K240-V244 WeakPolarHBondContact O-CG2 3.37Å; K240-V244 PolarHBondContact O-N 3.35Å
241D46.8Very low51.3Low97 Ų9797.7 Ų97.752%0.51953%0.53SS..Hα-helixtrans-61.7-43.8179.9-67.8-28.6000112.6R237 R243 V244 L245R237-D241 PolarHBondContact O-N 3Å; D241-R243 PolarHBondContact O-N 2.82Å; D241-V244 PolarHBondContact O-N 2.84Å; D241-V244 VanDerWaalsContact O-N 3.11Å; D241-L245 PolarHBondContact O-N 3.4Å
242R46.8Very low51.6Low213 Ų21397.3 Ų97.380%0.80452%0.517SS*.Hα-helixtrans-63.7-28.2176.2-170.3173.2174.8-176.9-1.2113.1S238 K240 S246S238-R242 WeakPolarHBondContact O-CB 3.23Å; S238-R242 PolarHBondContact O-N 3.15Å; K240-R242 PolarHBondContact O-N 3.47Å; R242-S246 PolarHBondContact O-N 3.09Å
243R50Low52.2Low163 Ų16394.6 Ų94.662%0.61548%0.483SS*.Hα-helixtrans-81.2-35.5171.1-89.1-174.5-78.1-170-3.8112.3K239 K240 D241 L245 S246 M247K239-R243 PolarHBondContact O-NE 3.11Å; K239-R243 VanDerWaalsContact O-NE 3.12Å; K240-R243 CarbonylContact O-C 3.36Å; K240-R243 PolarHBondContact O-N 2.8Å; K240-R243 VanDerWaalsContact O-N 3.09Å; D241-R243 PolarHBondContact O-N 2.82Å; R243-L245 VanDerWaalsContact C-N 3.34Å; R243-S246 PolarHBondContact O-N 3.27Å; R243-M247 WeakPolarHBondContact O-CB 3.5Å; R243-M247 WeakPolarHBondContact O-CG 3.29Å; R243-M247 PolarHBondContact O-N 3.08Å
244V47.6Very low53.1Low76 Ų7690.7 Ų90.746%0.46146%0.455SS..Hα-helixtrans-61.8-42.8173.8168.90000110.6K240 D241 M247 A248K240-V244 WeakPolarHBondContact O-CG2 3.37Å; K240-V244 PolarHBondContact O-N 3.35Å; D241-V244 PolarHBondContact O-N 2.84Å; D241-V244 VanDerWaalsContact O-N 3.11Å; V244-M247 PolarHBondContact O-N 2.9Å; V244-A248 WeakPolarHBondContact O-CB 3.33Å; V244-A248 PolarHBondContact O-N 3Å
245L46.7Very low54.3Low120 Ų12088.7 Ų88.763%0.62844%0.44SS*.Hα-helixtrans-61.2-45.5175.4-135.783.9000112.2D241 R243 M247 A248 E249D241-L245 PolarHBondContact O-N 3.4Å; R243-L245 VanDerWaalsContact C-N 3.34Å; L245-M247 VanDerWaalsContact C-N 3.32Å; L245-M247 PolarHBondContact O-N 2.97Å; L245-A248 PolarHBondContact O-N 3.1Å; L245-E249 PolarHBondContact O-N 2.92Å; L245-E249 VanDerWaalsContact O-N 3.08Å
246S50.3Low55.5Low35 Ų3582.5 Ų82.525%0.24540%0.401CS..Hα-helixtrans-61.3-39.1175.8-169.30000112.3R242 R243 E250R242-S246 PolarHBondContact O-N 3.09Å; R243-S246 PolarHBondContact O-N 3.27Å; S246-E250 WeakPolarHBondContact O-CG 3.3Å; S246-E250 PolarHBondContact O-N 3.41Å; S246-E250 VanDerWaalsContact O-N 3.14Å; S246-E250 PolarHBondContact OG-OE1 3.44Å
247M52Low56.8Low50 Ų5079.2 Ų79.225%0.24638%0.381CS..Hα-helixtrans-73.9-33.2178.3-60.6-88.292.100112M223 R227 R243 V244 L245 E250 V251M223-M247 HydrophobicContact CE-SD 4.49Å; R227-M247 PolarHBondContact NH2-SD 3.19Å; R227-M247 VanDerWaalsContact NH2-SD 3.39Å; R243-M247 WeakPolarHBondContact O-CB 3.5Å; R243-M247 WeakPolarHBondContact O-CG 3.29Å; R243-M247 PolarHBondContact O-N 3.08Å; V244-M247 PolarHBondContact O-N 2.9Å; L245-M247 VanDerWaalsContact C-N 3.32Å; L245-M247 PolarHBondContact O-N 2.97Å; M247-E250 VanDerWaalsContact CE-CD 3.46Å; M247-E250 WeakPolarHBondContact CE-OE1 3.17Å; M247-E250 WeakPolarHBondContact CE-OE2 3.22Å; M247-E250 PolarHBondContact O-N 3.19Å; M247-V251 WeakPolarHBondContact O-CB 3.41Å; M247-V251 WeakPolarHBondContact O-CG2 3.22Å; M247-V251 PolarHBondContact O-N 2.86Å
248A51.6Low58Low45 Ų4571.2 Ų71.237%0.37236%0.356SS..Hα-helixtrans-64.6-44.3174.200000111.1V244 L245 E250 V251 E252V244-A248 WeakPolarHBondContact O-CB 3.33Å; V244-A248 PolarHBondContact O-N 3Å; L245-A248 PolarHBondContact O-N 3.1Å; A248-E250 VanDerWaalsContact C-N 3.3Å; A248-E250 PolarHBondContact O-N 2.87Å; A248-V251 PolarHBondContact O-N 3.46Å; A248-V251 VanDerWaalsContact O-N 3.12Å; A248-E252 WeakPolarHBondContact O-CG 3.41Å; A248-E252 PolarHBondContact O-N 3.05Å
249E55.6Low59.4Low62 Ų6271.2 Ų71.229%0.2934%0.343SS..Hα-helixtrans-61.6-36.7175.9-160.4161.6-136.100111.5R52 L245 H253R52-E249 IonicContact NH1-OE1 2.86Å; R52-E249 PolarHBondContact NH1-OE1 3.23Å; R52-E249 IonicContact NH1-OE2 3.25Å; R52-E249 PolarHBondContact NH1-OE2 2.92Å; L245-E249 PolarHBondContact O-N 2.92Å; L245-E249 VanDerWaalsContact O-N 3.08Å; E249-H253 PolarHBondContact O-CD2 3.07Å; E249-H253 VanDerWaalsContact O-CD2 3.22Å
250E58Low60.8Low42 Ų4264.5 Ų64.520%0.19632%0.315CS..Hα-helixtrans-69.7-37.1172.1-72.9167.7-140.600113.2S246 M247 A248S246-E250 WeakPolarHBondContact O-CG 3.3Å; S246-E250 PolarHBondContact O-N 3.41Å; S246-E250 VanDerWaalsContact O-N 3.14Å; S246-E250 PolarHBondContact OG-OE1 3.44Å; M247-E250 VanDerWaalsContact CE-CD 3.46Å; M247-E250 WeakPolarHBondContact CE-OE1 3.17Å; M247-E250 WeakPolarHBondContact CE-OE2 3.22Å; M247-E250 PolarHBondContact O-N 3.19Å; A248-E250 VanDerWaalsContact C-N 3.3Å; A248-E250 PolarHBondContact O-N 2.87Å
251V60.1Low62.4Low41 Ų4160.6 Ų60.625%0.24830%0.299CS..Hα-helixtrans-72.5-35.4179.71680000113.1L220 M247 A248 H253 L254 I255L220-V251 HydrophobicContact CD1-CG2 3.49Å; L220-V251 VanDerWaalsContact CD1-CG2 3.49Å; L220-V251 HydrophobicContact CD2-CG1 4.1Å; L220-V251 HydrophobicContact CD2-CG2 3.78Å; L220-V251 HydrophobicContact CG-CG2 4.23Å; M247-V251 WeakPolarHBondContact O-CB 3.41Å; M247-V251 WeakPolarHBondContact O-CG2 3.22Å; M247-V251 PolarHBondContact O-N 2.86Å; A248-V251 PolarHBondContact O-N 3.46Å; A248-V251 VanDerWaalsContact O-N 3.12Å; V251-H253 VanDerWaalsContact C-N 3.26Å; V251-H253 PolarHBondContact O-N 2.88Å; V251-L254 HydrophobicContact CG2-CD1 4.46Å; V251-L254 WeakPolarHBondContact O-CB 3.49Å; V251-L254 PolarHBondContact O-N 2.92Å; V251-I255 HydrophobicContact CG1-CD1 4.37Å; V251-I255 PolarHBondContact O-N 2.97Å; V251-I255 VanDerWaalsContact O-N 3.14Å
252E64.2Low64.1Low32 Ų3259.7 Ų59.715%0.1530%0.297CS..Hα-helixtrans-59.6-37.8177-69.9165.9153.300111.7A248 L254 I255 V256 P313 R317A248-E252 WeakPolarHBondContact O-CG 3.41Å; A248-E252 PolarHBondContact O-N 3.05Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.37Å; E252-I255 PolarHBondContact O-N 2.96Å; E252-V256 PolarHBondContact O-N 3.29Å; E252-P313 HydrophobicContact CB-CB 4.37Å; E252-P313 HydrophobicContact CB-CG 3.91Å; E252-P313 WeakPolarHBondContact OE2-CB 3.44Å; E252-R317 IonicContact OE1-CZ 3.12Å; E252-R317 IonicContact OE1-NH1 2.69Å; E252-R317 PolarHBondContact OE1-NH1 3.36Å; E252-R317 IonicContact OE2-CZ 2.75Å; E252-R317 IonicContact OE2-NH1 3.91Å; E252-R317 PolarHBondContact OE2-NH1 3.39Å
253H65.8Low65.9Low25 Ų2551.4 Ų51.412%0.11627%0.268CS..Hα-helixtrans-68.6-27.2174.5-73.1-63.7000113.7F58 E249 V251 L257F58-H253 HydrophobicContact CE1-CB 4.3Å; F58-H253 AromaticContact CE1-CE1 3.78Å; F58-H253 AromaticContact CE1-CG 3.87Å; F58-H253 AromaticContact CE1-ND1 3.26Å; F58-H253 VanDerWaalsContact CE1-ND1 3.26Å; F58-H253 WeakPolarHBondContact CE1-ND1 3.44Å; F58-H253 HydrophobicContact CZ-CB 4.15Å; F58-H253 AromaticContact CZ-ND1 3.74Å; E249-H253 PolarHBondContact O-CD2 3.07Å; E249-H253 VanDerWaalsContact O-CD2 3.22Å; V251-H253 VanDerWaalsContact C-N 3.26Å; V251-H253 PolarHBondContact O-N 2.88Å; H253-L257 WeakPolarHBondContact O-CB 3.21Å; H253-L257 PolarHBondContact O-N 3.04Å
254L69.3Low67.4Low11 Ų1143.9 Ų43.96%0.05824%0.24CC..Hα-helixtrans-72-36.9174.5-60.8175.1000112.1R127 I131 V216 L220 V251 E252 L257 V258R127-L254 HydrophobicContact CB-CD2 3.99Å; R127-L254 HydrophobicContact CG-CD2 3.88Å; I131-L254 HydrophobicContact CD1-CD1 3.47Å; I131-L254 VanDerWaalsContact CD1-CD1 3.47Å; I131-L254 HydrophobicContact CD1-CD2 3.71Å; I131-L254 HydrophobicContact CD1-CG 4.09Å; V216-L254 HydrophobicContact CG1-CD1 3.77Å; V216-L254 HydrophobicContact CG1-CD2 3.62Å; V216-L254 HydrophobicContact CG1-CG 4.24Å; L220-L254 HydrophobicContact CD2-CD1 4.07Å; V251-L254 HydrophobicContact CG2-CD1 4.46Å; V251-L254 WeakPolarHBondContact O-CB 3.49Å; V251-L254 PolarHBondContact O-N 2.92Å; E252-L254 VanDerWaalsContact C-N 3.32Å; E252-L254 PolarHBondContact O-N 3.37Å; L254-L257 PolarHBondContact O-N 3.34Å; L254-V258 WeakPolarHBondContact O-CG2 3.5Å; L254-V258 PolarHBondContact O-N 3.37Å
255I72.8Confident69.2Low71 Ų7142.4 Ų42.436%0.36423%0.23SC..Hα-helixtrans-61.2-48.3177-66.7170.4000109.6V251 E252 L257 V258 F259 L311V251-I255 HydrophobicContact CG1-CD1 4.37Å; V251-I255 PolarHBondContact O-N 2.97Å; V251-I255 VanDerWaalsContact O-N 3.14Å; E252-I255 PolarHBondContact O-N 2.96Å; I255-L257 VanDerWaalsContact C-N 3.32Å; I255-L257 PolarHBondContact O-N 2.83Å; I255-V258 PolarHBondContact O-N 2.96Å; I255-F259 HydrophobicContact CG2-CD2 3.77Å; I255-F259 HydrophobicContact CG2-CE2 3.7Å; I255-F259 VanDerWaalsContact O-CD2 3.27Å; I255-F259 WeakPolarHBondContact O-CD2 3.33Å; I255-F259 PolarHBondContact O-N 3.44Å; I255-L311 HydrophobicContact CG2-CD2 4.24Å
256V74.5Confident71.1Confident4 Ų441.3 Ų41.32%0.02422%0.224CC..Hα-helixtrans-52.4-52.7172.9178.80000110.3E252 V258 F259 M260 F308 L311E252-V256 PolarHBondContact O-N 3.29Å; V256-V258 PolarHBondContact O-N 3.49Å; V256-F259 PolarHBondContact O-N 2.95Å; V256-F259 VanDerWaalsContact O-N 3.16Å; V256-M260 HydrophobicContact CG1-CE 3.76Å; V256-M260 HydrophobicContact CG1-CG 4.3Å; V256-M260 VanDerWaalsContact O-CG 3.31Å; V256-M260 WeakPolarHBondContact O-CG 3.39Å; V256-M260 PolarHBondContact O-N 3.02Å; V256-F308 HydrophobicContact CG1-CD2 4.36Å; V256-L311 HydrophobicContact CG2-CB 3.88Å; V256-L311 WeakPolarHBondContact CG2-O 3.38Å
257L74.3Confident72.9Confident11 Ų1140 Ų406%0.05822%0.215CC..Hα-helixtrans-63.9-35.7-175.7-168.4121.5000113F58 M123 A124 R127 N213 H253 L254 I255 T261F58-L257 HydrophobicContact CE2-CD1 4.35Å; M123-L257 HydrophobicContact CB-CD1 3.8Å; A124-L257 HydrophobicContact CB-CD2 4.45Å; R127-L257 HydrophobicContact CG-CD1 4.13Å; R127-L257 HydrophobicContact CG-CD2 4.25Å; N213-L257 WeakPolarHBondContact ND2-CD2 3.4Å; N213-L257 PolarHBondContact ND2-O 3.35Å; N213-L257 WeakPolarHBondContact OD1-CD2 3.2Å; H253-L257 WeakPolarHBondContact O-CB 3.21Å; H253-L257 PolarHBondContact O-N 3.04Å; L254-L257 PolarHBondContact O-N 3.34Å; I255-L257 VanDerWaalsContact C-N 3.32Å; I255-L257 PolarHBondContact O-N 2.83Å; L257-T261 WeakPolarHBondContact O-CG2 3.4Å; L257-T261 PolarHBondContact O-N 2.95Å; L257-T261 VanDerWaalsContact O-N 3.13Å; L257-T261 PolarHBondContact O-OG1 3.05Å
258V78.9Confident74.5Confident49 Ų4937.6 Ų37.630%0.29720%0.203SC..Hα-helixtrans-64.2-47.3172.2170.40000111V217 L254 I255 V256 M260 T261 V262V217-V258 HydrophobicContact CG2-CG2 3.94Å; L254-V258 WeakPolarHBondContact O-CG2 3.5Å; L254-V258 PolarHBondContact O-N 3.37Å; I255-V258 PolarHBondContact O-N 2.96Å; V256-V258 PolarHBondContact O-N 3.49Å; V258-M260 PolarHBondContact O-N 3.13Å; V258-T261 PolarHBondContact O-N 2.81Å; V258-T261 VanDerWaalsContact O-N 3.13Å; V258-T261 PolarHBondContact O-OG1 2.95Å; V258-V262 PolarHBondContact O-N 2.75Å
259F81.1Confident76.2Confident100 Ų10038.3 Ų38.344%0.43920%0.2SC..Hα-helixtrans-62.2-42.3178-82.9-70.2000112.7I255 V256 T261 V262 I263 V307 L311I255-F259 HydrophobicContact CG2-CD2 3.77Å; I255-F259 HydrophobicContact CG2-CE2 3.7Å; I255-F259 VanDerWaalsContact O-CD2 3.27Å; I255-F259 WeakPolarHBondContact O-CD2 3.33Å; I255-F259 PolarHBondContact O-N 3.44Å; V256-F259 PolarHBondContact O-N 2.95Å; V256-F259 VanDerWaalsContact O-N 3.16Å; F259-T261 VanDerWaalsContact C-N 3.28Å; F259-T261 PolarHBondContact O-N 3.33Å; F259-V262 PolarHBondContact O-N 3.46Å; F259-I263 WeakPolarHBondContact O-CG1 3.42Å; F259-I263 PolarHBondContact O-N 3.35Å; F259-I263 VanDerWaalsContact O-N 3.09Å; F259-V307 HydrophobicContact CB-CG1 4.12Å; F259-L311 HydrophobicContact CB-CD1 3.82Å; F259-L311 HydrophobicContact CD2-CD1 3.88Å; F259-L311 HydrophobicContact CD2-CD2 3.56Å; F259-L311 HydrophobicContact CD2-CG 4.35Å; F259-L311 HydrophobicContact CE2-CD2 3.67Å; F259-L311 HydrophobicContact CG-CD1 3.86Å; F259-L311 HydrophobicContact CG-CD2 4.34Å
260M80.6Confident77.9Confident12 Ų1237.1 Ų37.16%0.05920%0.198CC..Hα-helixtrans-52.2-49.1171-65.4-62.4-174.100110.6L120 V256 V258 V262 I263 F264 D304 V307 F308L120-M260 HydrophobicContact CD2-CB 4.43Å; V256-M260 HydrophobicContact CG1-CE 3.76Å; V256-M260 HydrophobicContact CG1-CG 4.3Å; V256-M260 VanDerWaalsContact O-CG 3.31Å; V256-M260 WeakPolarHBondContact O-CG 3.39Å; V256-M260 PolarHBondContact O-N 3.02Å; V258-M260 PolarHBondContact O-N 3.13Å; M260-V262 PolarHBondContact O-N 2.91Å; M260-I263 PolarHBondContact O-N 2.92Å; M260-F264 VanDerWaalsContact O-CB 3.29Å; M260-F264 WeakPolarHBondContact O-CB 3.42Å; M260-F264 PolarHBondContact O-N 2.98Å; M260-D304 WeakPolarHBondContact CE-O 3.35Å; M260-D304 HydrophobicContact SD-CB 4.12Å; M260-V307 HydrophobicContact CE-CB 3.88Å; M260-V307 HydrophobicContact CE-CG1 3.77Å; M260-V307 HydrophobicContact CG-CG1 4.23Å; M260-V307 HydrophobicContact SD-CB 3.76Å; M260-V307 HydrophobicContact SD-CG1 3.54Å; M260-V307 VanDerWaalsContact SD-CG1 3.54Å; M260-F308 HydrophobicContact CE-CB 3.67Å
261T82.6Confident79.3Confident14 Ų1435.2 Ų35.29%0.08619%0.189CC..Hα-helixtrans-70.9-29.9-175.456.60000114.5I209 N213 L257 V258 F259 V265I209-T261 HydrophobicContact CG2-CG2 3.15Å; N213-T261 WeakPolarHBondContact ND2-CG2 3.26Å; N213-T261 PolarHBondContact ND2-OG1 3.32Å; L257-T261 WeakPolarHBondContact O-CG2 3.4Å; L257-T261 PolarHBondContact O-N 2.95Å; L257-T261 VanDerWaalsContact O-N 3.13Å; L257-T261 PolarHBondContact O-OG1 3.05Å; V258-T261 PolarHBondContact O-N 2.81Å; V258-T261 VanDerWaalsContact O-N 3.13Å; V258-T261 PolarHBondContact O-OG1 2.95Å; F259-T261 VanDerWaalsContact C-N 3.28Å; F259-T261 PolarHBondContact O-N 3.33Å; T261-V265 WeakPolarHBondContact O-CB 3.47Å; T261-V265 WeakPolarHBondContact O-CG2 3.44Å; T261-V265 PolarHBondContact O-N 3.04Å
262V83.9Confident80.7Confident78 Ų7833.5 Ų33.547%0.47318%0.179SC..Hα-helixtrans-66.3-45172.1172.30000110.3V258 F259 M260 V265 I266V258-V262 PolarHBondContact O-N 2.75Å; F259-V262 PolarHBondContact O-N 3.46Å; M260-V262 PolarHBondContact O-N 2.91Å; V262-V265 PolarHBondContact O-N 3.19Å; V262-I266 HydrophobicContact CG1-CD1 3.97Å; V262-I266 WeakPolarHBondContact O-CD1 3.41Å; V262-I266 VanDerWaalsContact O-CG1 3.29Å; V262-I266 WeakPolarHBondContact O-CG1 3.28Å; V262-I266 PolarHBondContact O-N 2.96Å; V262-I266 VanDerWaalsContact O-N 3.13Å
263I84.1Confident81.8Confident39 Ų3936.3 Ų36.320%0.219%0.194CC..Hα-helixtrans-65.2-45.6178.1-70.8166.1000110.3F259 M260 V265 I266 C267 V303 V307F259-I263 WeakPolarHBondContact O-CG1 3.42Å; F259-I263 PolarHBondContact O-N 3.35Å; F259-I263 VanDerWaalsContact O-N 3.09Å; M260-I263 PolarHBondContact O-N 2.92Å; I263-V265 PolarHBondContact O-N 3.41Å; I263-I266 WeakPolarHBondContact O-CB 3.5Å; I263-I266 PolarHBondContact O-N 3.36Å; I263-I266 VanDerWaalsContact O-N 3.08Å; I263-C267 WeakPolarHBondContact O-CB 3.23Å; I263-C267 PolarHBondContact O-N 3.12Å; I263-V303 HydrophobicContact CD1-CG1 3.97Å; I263-V303 HydrophobicContact CG2-CB 4.16Å; I263-V303 HydrophobicContact CG2-CG1 3.69Å; I263-V307 HydrophobicContact CD1-CG1 4.42Å; I263-V307 HydrophobicContact CD1-CG2 3.35Å
264F80.9Confident82.8Confident5 Ų537.3 Ų37.32%0.02220%0.197CC..Hα-helixtrans-55.9-49.1176.8-167.3-79000111.6L117 L120 V206 M260 I266 C267 S268 N300L117-F264 HydrophobicContact CD1-CE1 3.96Å; L117-F264 HydrophobicContact CD1-CZ 3.69Å; L117-F264 HydrophobicContact CD2-CD1 3.92Å; L117-F264 HydrophobicContact CD2-CE1 3.27Å; L117-F264 HydrophobicContact CD2-CE2 4.08Å; L117-F264 HydrophobicContact CD2-CZ 3.43Å; L117-F264 VanDerWaalsContact CD2-CZ 3.43Å; L117-F264 HydrophobicContact CG-CE1 3.63Å; L117-F264 HydrophobicContact CG-CE2 3.88Å; L117-F264 HydrophobicContact CG-CZ 3.22Å; L120-F264 HydrophobicContact CD1-CD2 3.35Å; L120-F264 HydrophobicContact CD1-CE2 3.86Å; L120-F264 HydrophobicContact CD1-CG 4.07Å; V206-F264 HydrophobicContact CG2-CD1 3.87Å; V206-F264 HydrophobicContact CG2-CE1 3.59Å; M260-F264 VanDerWaalsContact O-CB 3.29Å; M260-F264 WeakPolarHBondContact O-CB 3.42Å; M260-F264 PolarHBondContact O-N 2.98Å; F264-I266 VanDerWaalsContact C-N 3.31Å; F264-I266 PolarHBondContact O-N 3.04Å; F264-C267 PolarHBondContact O-N 3.22Å; F264-C267 VanDerWaalsContact O-N 3.15Å; F264-S268 VanDerWaalsContact CE1-OG 3.23Å; F264-S268 WeakPolarHBondContact CE1-OG 3.02Å; F264-S268 WeakPolarHBondContact O-CB 3.44Å; F264-S268 PolarHBondContact O-N 2.86Å; F264-S268 PolarHBondContact O-OG 2.97Å; F264-N300 WeakPolarHBondContact CA-OD1 3.34Å; F264-N300 VanDerWaalsContact CD2-CG 3.47Å; F264-N300 WeakPolarHBondContact CD2-ND2 3.44Å; F264-N300 WeakPolarHBondContact CD2-OD1 3.46Å; F264-N300 WeakPolarHBondContact CE2-ND2 3.29Å
265V85.7Confident83.7Confident44 Ų4437 Ų3727%0.26720%0.195SC..Hα-helixtrans-55.5-45.3175.5166.50000111.3V206 T261 V262 I263 L269V206-V265 HydrophobicContact CG1-CG2 3.73Å; T261-V265 WeakPolarHBondContact O-CB 3.47Å; T261-V265 WeakPolarHBondContact O-CG2 3.44Å; T261-V265 PolarHBondContact O-N 3.04Å; V262-V265 PolarHBondContact O-N 3.19Å; I263-V265 PolarHBondContact O-N 3.41Å; V265-L269 HydrophobicContact CG1-CD1 3.51Å; V265-L269 HydrophobicContact CG1-CG 4.05Å; V265-L269 VanDerWaalsContact O-CB 3.24Å; V265-L269 WeakPolarHBondContact O-CB 3.16Å; V265-L269 WeakPolarHBondContact O-CG 3.22Å; V265-L269 PolarHBondContact O-N 2.94Å
266I87.8Confident84.4Confident97 Ų9737.3 Ų37.350%0.49719%0.193SC..Hα-helixtrans-65.8-38.5178.9-67163.9000111.5V262 I263 F264 P270 F296V262-I266 HydrophobicContact CG1-CD1 3.97Å; V262-I266 WeakPolarHBondContact O-CD1 3.41Å; V262-I266 VanDerWaalsContact O-CG1 3.29Å; V262-I266 WeakPolarHBondContact O-CG1 3.28Å; V262-I266 PolarHBondContact O-N 2.96Å; V262-I266 VanDerWaalsContact O-N 3.13Å; I263-I266 WeakPolarHBondContact O-CB 3.5Å; I263-I266 PolarHBondContact O-N 3.36Å; I263-I266 VanDerWaalsContact O-N 3.08Å; F264-I266 VanDerWaalsContact C-N 3.31Å; F264-I266 PolarHBondContact O-N 3.04Å; I266-P270 WeakPolarHBondContact O-CD 3.06Å; I266-P270 WeakPolarHBondContact O-CG 3.19Å; I266-F296 HydrophobicContact CG2-CE1 4.35Å
267C87.3Confident84.9Confident7 Ų739.8 Ų39.85%0.04721%0.205CC..Hα-helixtrans-76.3-33.4-179.9-79.90000113.9I263 F264 F296 L297 N300I263-C267 WeakPolarHBondContact O-CB 3.23Å; I263-C267 PolarHBondContact O-N 3.12Å; F264-C267 PolarHBondContact O-N 3.22Å; F264-C267 VanDerWaalsContact O-N 3.15Å; C267-F296 VanDerWaalsContact CB-O 3.29Å; C267-F296 WeakPolarHBondContact CB-O 3.17Å; C267-F296 CarbonylContact O-C 3.48Å; C267-F296 PolarHBondContact SG-O 3.32Å; C267-F296 VanDerWaalsContact SG-O 3.36Å; C267-L297 PolarHBondContact O-N 2.73Å; C267-N300 HydrophobicContact CB-CB 3.99Å
268S86.1Confident85.3Confident0 Ų039.8 Ų39.80%021%0.205CC..Hα-helixtrans-94.7-33.5-174.868.10000114.6F264 P270 L271 V272F264-S268 VanDerWaalsContact CE1-OG 3.23Å; F264-S268 WeakPolarHBondContact CE1-OG 3.02Å; F264-S268 WeakPolarHBondContact O-CB 3.44Å; F264-S268 PolarHBondContact O-N 2.86Å; F264-S268 PolarHBondContact O-OG 2.97Å; S268-P270 VanDerWaalsContact C-CD 3.45Å; S268-L271 PolarHBondContact O-N 3.39Å; S268-V272 PolarHBondContact O-N 3.39Å
269L87.3Confident85.3Confident60 Ų6039.8 Ų39.831%0.31421%0.207SC..Hα-helixtrans-58.6-38.4-177.1-78.7-178.2000114.6V265 L271 V272 I273V265-L269 HydrophobicContact CG1-CD1 3.51Å; V265-L269 HydrophobicContact CG1-CG 4.05Å; V265-L269 VanDerWaalsContact O-CB 3.24Å; V265-L269 WeakPolarHBondContact O-CB 3.16Å; V265-L269 WeakPolarHBondContact O-CG 3.22Å; V265-L269 PolarHBondContact O-N 2.94Å; L269-L271 PolarHBondContact O-N 3.27Å; L269-V272 PolarHBondContact O-N 3.38Å; L269-I273 HydrophobicContact CB-CD1 4.3Å; L269-I273 WeakPolarHBondContact O-CB 3.45Å; L269-I273 WeakPolarHBondContact O-CD1 3.43Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.4Å; L269-I273 PolarHBondContact O-N 3.29Å
270P89.9Confident85.1Confident38 Ų3840.2 Ų40.225%0.24722%0.218CC..Hα-helixtrans-55.8-39.3178.2-27.836.4000113.1I266 S268 R274 A293 F296I266-P270 WeakPolarHBondContact O-CD 3.06Å; I266-P270 WeakPolarHBondContact O-CG 3.19Å; S268-P270 VanDerWaalsContact C-CD 3.45Å; P270-R274 WeakPolarHBondContact O-CB 3.49Å; P270-R274 WeakPolarHBondContact O-CG 3.49Å; P270-R274 PolarHBondContact O-N 3.31Å; P270-R274 VanDerWaalsContact O-N 3.08Å; P270-A293 HydrophobicContact CB-CB 4.22Å; P270-F296 HydrophobicContact CG-CB 4.26Å; P270-F296 HydrophobicContact CG-CD2 4.39Å; P270-F296 HydrophobicContact CG-CG 4.19Å
271L87.8Confident84.3Confident2 Ų241.6 Ų41.61%0.0124%0.236CC..Hα-helixtrans-67.8-48.8177.3-167.290.9000111.8F181 M184 Y198 M202 S268 L269 I273 R274 V275 A293 L294 L297F181-L271 HydrophobicContact CE1-CD1 4.27Å; F181-L271 HydrophobicContact CE1-CD2 4.32Å; F181-L271 HydrophobicContact CZ-CD2 4.16Å; M184-L271 HydrophobicContact CE-CD1 3.53Å; M184-L271 HydrophobicContact SD-CD1 4.38Å; Y198-L271 HydrophobicContact CE1-CD2 3.84Å; M202-L271 HydrophobicContact CE-CD2 4.47Å; S268-L271 PolarHBondContact O-N 3.39Å; L269-L271 PolarHBondContact O-N 3.27Å; L271-I273 VanDerWaalsContact C-N 3.32Å; L271-I273 PolarHBondContact O-N 3.16Å; L271-R274 WeakPolarHBondContact O-CB 3.42Å; L271-R274 PolarHBondContact O-N 2.96Å; L271-V275 PolarHBondContact O-N 3.08Å; L271-V275 VanDerWaalsContact O-N 3.08Å; L271-A293 HydrophobicContact CB-CB 4.42Å; L271-A293 HydrophobicContact CD1-CB 4.22Å; L271-L294 HydrophobicContact CD1-CD2 3.92Å; L271-L297 HydrophobicContact CD1-CD2 4.24Å; L271-L297 HydrophobicContact CD2-CD1 4.08Å; L271-L297 HydrophobicContact CD2-CD2 3.81Å; L271-L297 HydrophobicContact CD2-CG 4.48Å
272V88.9Confident83.3Confident5 Ų547.8 Ų47.83%0.0326%0.264CS..Hα-helixtrans-60-44.7179.8174.20000110.6M202 L203 S268 L269 R274 V275 Y276M202-V272 HydrophobicContact CB-CG2 3.89Å; L203-V272 HydrophobicContact CB-CG1 4.09Å; L203-V272 HydrophobicContact CD1-CG1 4.43Å; L203-V272 HydrophobicContact CD2-CG1 4.49Å; S268-V272 PolarHBondContact O-N 3.39Å; L269-V272 PolarHBondContact O-N 3.38Å; V272-R274 PolarHBondContact O-N 3.36Å; V272-V275 PolarHBondContact O-N 2.9Å; V272-Y276 HydrophobicContact CG1-CD2 3.8Å; V272-Y276 HydrophobicContact CG1-CE2 3.51Å; V272-Y276 WeakPolarHBondContact O-CD2 3.17Å; V272-Y276 PolarHBondContact O-N 3.3Å
273I88.9Confident82.2Confident91 Ų9151.9 Ų51.947%0.46727%0.271SS..Hα-helixtrans-62.4-42.5177.2-68.2165.4000111.1L269 L271 Y276 I277L269-I273 HydrophobicContact CB-CD1 4.3Å; L269-I273 WeakPolarHBondContact O-CB 3.45Å; L269-I273 WeakPolarHBondContact O-CD1 3.43Å; L269-I273 VanDerWaalsContact O-CG1 3.25Å; L269-I273 WeakPolarHBondContact O-CG1 3.4Å; L269-I273 PolarHBondContact O-N 3.29Å; L271-I273 VanDerWaalsContact C-N 3.32Å; L271-I273 PolarHBondContact O-N 3.16Å; I273-Y276 PolarHBondContact O-N 3.41Å; I273-I277 HydrophobicContact CG2-CD1 3.64Å; I273-I277 HydrophobicContact CG2-CG1 4.31Å; I273-I277 VanDerWaalsContact O-CG1 3.31Å; I273-I277 WeakPolarHBondContact O-CG1 3.28Å; I273-I277 PolarHBondContact O-N 2.97Å
274R87.1Confident81.1Confident45 Ų4558.8 Ų58.817%0.1730%0.299CS..Hα-helixtrans-58.6-50.8177.6-79.4-81.8145.9-162.4-3112.1M184 P270 L271 V272 Y276 I277 N278 D290 A293M184-R274 HydrophobicContact SD-CB 4.44Å; P270-R274 WeakPolarHBondContact O-CB 3.49Å; P270-R274 WeakPolarHBondContact O-CG 3.49Å; P270-R274 PolarHBondContact O-N 3.31Å; P270-R274 VanDerWaalsContact O-N 3.08Å; L271-R274 WeakPolarHBondContact O-CB 3.42Å; L271-R274 PolarHBondContact O-N 2.96Å; V272-R274 PolarHBondContact O-N 3.36Å; R274-Y276 VanDerWaalsContact C-N 3.34Å; R274-Y276 PolarHBondContact O-N 2.88Å; R274-I277 PolarHBondContact O-N 3.23Å; R274-N278 VanDerWaalsContact O-CG 3.26Å; R274-N278 PolarHBondContact O-N 2.93Å; R274-N278 PolarHBondContact O-OD1 3.32Å; R274-D290 VanDerWaalsContact CD-OD1 3.23Å; R274-D290 WeakPolarHBondContact CD-OD1 3.43Å; R274-A293 HydrophobicContact CG-CB 4.06Å
275V86.9Confident80.2Confident5 Ų562.9 Ų62.93%0.0332%0.318CS..Hα-helixtrans-59.2-43.6178.9173.90000111.7M184 P195 V196 A199 L271 V272 S279M184-V275 HydrophobicContact CB-CG2 4.46Å; M184-V275 HydrophobicContact CG-CG2 4.03Å; M184-V275 HydrophobicContact SD-CG2 4.19Å; P195-V275 HydrophobicContact CB-CG1 4.15Å; P195-V275 WeakPolarHBondContact O-CG1 3.44Å; V196-V275 HydrophobicContact CG2-CG1 4.28Å; A199-V275 HydrophobicContact CB-CB 3.83Å; A199-V275 HydrophobicContact CB-CG1 3.66Å; A199-V275 HydrophobicContact CB-CG2 4.3Å; L271-V275 PolarHBondContact O-N 3.08Å; L271-V275 VanDerWaalsContact O-N 3.08Å; V272-V275 PolarHBondContact O-N 2.9Å; V275-S279 VanDerWaalsContact O-CB 3.26Å; V275-S279 WeakPolarHBondContact O-CB 3Å; V275-S279 PolarHBondContact O-N 3.03Å
276Y87.5Confident79.5Confident78 Ų7862.8 Ų62.831%0.30632%0.32SS..Hα-helixtrans-66.8-40.3177-75.1-59.3000113.2A199 T200 L203 V272 I273 R274 S279 T280A199-Y276 HydrophobicContact CB-CE2 4.5Å; T200-Y276 HydrophobicContact CG2-CE1 4.38Å; T200-Y276 WeakPolarHBondContact CG2-OH 3.35Å; L203-Y276 HydrophobicContact CD2-CE2 4.01Å; V272-Y276 HydrophobicContact CG1-CD2 3.8Å; V272-Y276 HydrophobicContact CG1-CE2 3.51Å; V272-Y276 WeakPolarHBondContact O-CD2 3.17Å; V272-Y276 PolarHBondContact O-N 3.3Å; I273-Y276 PolarHBondContact O-N 3.41Å; R274-Y276 VanDerWaalsContact C-N 3.34Å; R274-Y276 PolarHBondContact O-N 2.88Å; Y276-S279 PolarHBondContact O-N 3.18Å; Y276-T280 WeakPolarHBondContact O-CG2 3.34Å; Y276-T280 PolarHBondContact O-N 3.27Å; Y276-T280 PolarHBondContact O-OG1 3.36Å; Y276-T280 VanDerWaalsContact O-OG1 3.08Å
277I85.4Confident78.7Confident55 Ų5560.1 Ų60.128%0.28231%0.305SS..Hα-helixtrans-60.5-48.3175.5-71170.4000110.7I273 R274 S279 T280 Q282I273-I277 HydrophobicContact CG2-CD1 3.64Å; I273-I277 HydrophobicContact CG2-CG1 4.31Å; I273-I277 VanDerWaalsContact O-CG1 3.31Å; I273-I277 WeakPolarHBondContact O-CG1 3.28Å; I273-I277 PolarHBondContact O-N 2.97Å; R274-I277 PolarHBondContact O-N 3.23Å; I277-S279 PolarHBondContact O-N 2.04Å; I277-T280 PolarHBondContact O-N 2.9Å; I277-T280 PolarHBondContact O-OG1 3.01Å; I277-Q282 HydrophobicContact CG2-CB 4.43Å
278N81.6Confident78.2Confident11 Ų1168 Ų686%0.05934%0.338CS..Hα-helixtrans-63.8-43.1179.4-62.1-0.8000111M184 R274 T280 G281M184-N278 WeakPolarHBondContact O-CB 3.22Å; M184-N278 PolarHBondContact O-ND2 3.01Å; R274-N278 VanDerWaalsContact O-CG 3.26Å; R274-N278 PolarHBondContact O-N 2.93Å; R274-N278 PolarHBondContact O-OD1 3.32Å; N278-T280 VanDerWaalsContact C-N 3.27Å; N278-T280 PolarHBondContact O-N 3.04Å; N278-G281 PolarHBondContact O-N 3.24Å; N278-G281 VanDerWaalsContact O-N 3.16Å
279S80.8Confident77.9Confident49 Ų4972 Ų7234%0.34336%0.358SS..Hα-helixtrans-62.5-28.1175.3-177.10000113.9V196 V275 Y276 I277 G281V196-S279 WeakPolarHBondContact CG2-OG 3.45Å; V275-S279 VanDerWaalsContact O-CB 3.26Å; V275-S279 WeakPolarHBondContact O-CB 3Å; V275-S279 PolarHBondContact O-N 3.03Å; Y276-S279 PolarHBondContact O-N 3.18Å; I277-S279 PolarHBondContact O-N 2.04Å; S279-G281 PolarHBondContact O-N 2.87Å
280T76.6Confident77.7Confident109 Ų10969.5 Ų69.567%0.66935%0.345SS*.THydrogen-bonded Turntrans-822.4178.3520000113.9Y276 I277 N278Y276-T280 WeakPolarHBondContact O-CG2 3.34Å; Y276-T280 PolarHBondContact O-N 3.27Å; Y276-T280 PolarHBondContact O-OG1 3.36Å; Y276-T280 VanDerWaalsContact O-OG1 3.08Å; I277-T280 PolarHBondContact O-N 2.9Å; I277-T280 PolarHBondContact O-OG1 3.01Å; N278-T280 VanDerWaalsContact C-N 3.27Å; N278-T280 PolarHBondContact O-N 3.04Å
281G64.2Low77.3Confident42 Ų4269.5 Ų69.543%0.43334%0.343SS..THydrogen-bonded Turntrans87.57.9168.700000115.3N278 S279 R283N278-G281 PolarHBondContact O-N 3.24Å; N278-G281 VanDerWaalsContact O-N 3.16Å; S279-G281 PolarHBondContact O-N 2.87Å; G281-R283 PolarHBondContact O-N 3.45Å
282Q61.6Low77.2Confident144 Ų14473.1 Ų73.167%0.67336%0.361SS*.  trans-75.870166-68-167.5-9.400110.1I277 K284I277-Q282 HydrophobicContact CG2-CB 4.43Å; Q282-K284 PolarHBondContact O-N 3.5Å
283R59.4Low77.1Confident163 Ų16372.9 Ų72.962%0.61536%0.36SS*.  trans-7049.1-173.1-58.6-174.9-170.3176.73114.8G281G281-R283 PolarHBondContact O-N 3.45Å
284K60.6Low76.9Confident185 Ų18568.6 Ų68.680%0.80434%0.338SS*.  trans-93.791.8161.8-72.6-159.9173.1-162.50108Q282 S286Q282-K284 PolarHBondContact O-N 3.5Å; K284-S286 PolarHBondContact O-N 2.88Å
285E62.9Low76.9Confident90 Ų9068.3 Ų68.342%0.42134%0.34SS..  trans-52.7130.7170.7-69.7-166.4146.700109.3N185 H287N185-E285 WeakPolarHBondContact ND2-CG 3.09Å; N185-E285 PolarHBondContact ND2-OE1 3.47Å; E285-H287 IonicContact OE2-CE1 2.71Å
286S71.7Confident76.9Confident42 Ų4272.2 Ų72.229%0.29436%0.356SS..  trans-138.668-173.3-165.50000107.8K284 K288 M289 D290K284-S286 PolarHBondContact O-N 2.88Å; S286-K288 PolarHBondContact O-N 2.88Å; S286-M289 WeakPolarHBondContact O-CA 3.5Å; S286-M289 PolarHBondContact O-N 3.01Å; S286-M289 VanDerWaalsContact OG-CG 3.31Å; S286-M289 WeakPolarHBondContact OG-CG 3.4Å; S286-D290 PolarHBondContact O-N 3.47Å; S286-D290 VanDerWaalsContact O-N 3.07Å
287H71.1Confident76.9Confident42 Ų4268.9 Ų68.919%0.19434%0.344CS..Hα-helixtrans-48.4-34-176-54.8-57.4000113H11 C175 E285 M289 L291H11-H287 AromaticContact NE2-CE1 3.67Å; C175-H287 HydrophobicContact CB-CB 4.17Å; E285-H287 IonicContact OE2-CE1 2.71Å; H287-M289 PolarHBondContact O-N 3.11Å; H287-L291 WeakPolarHBondContact O-CB 3.27Å; H287-L291 PolarHBondContact O-N 3.23Å
288K76.8Confident76.9Confident171 Ų17167.4 Ų67.474%0.74334%0.338SS*.Hα-helixtrans-59.6-42173.5-68.3178.8-179.8171.60113S286 I292S286-K288 PolarHBondContact O-N 2.88Å; K288-I292 WeakPolarHBondContact O-CD1 3.37Å; K288-I292 WeakPolarHBondContact O-CG1 3.3Å; K288-I292 PolarHBondContact O-N 2.73Å
289M79.9Confident77Confident85 Ų8568.9 Ų68.942%0.41935%0.348SS..Hα-helixtrans-81.6-31.9-178.4-62-68.1-104.100112.4S286 H287 I292 A293S286-M289 WeakPolarHBondContact O-CA 3.5Å; S286-M289 PolarHBondContact O-N 3.01Å; S286-M289 VanDerWaalsContact OG-CG 3.31Å; S286-M289 WeakPolarHBondContact OG-CG 3.4Å; H287-M289 PolarHBondContact O-N 3.11Å; M289-I292 PolarHBondContact O-N 3.45Å; M289-I292 HydrophobicContact SD-CD1 4.05Å; M289-A293 PolarHBondContact O-N 3.4Å
290D82.7Confident77.2Confident7 Ų766.8 Ų66.84%0.03733%0.333CS..Hα-helixtrans-67.2-43.7172-53.5-36.5000110Y174 R274 S286 I292 A293 L294Y174-D290 HydrophobicContact CD1-CB 3.92Å; Y174-D290 HydrophobicContact CE1-CB 3.7Å; R274-D290 VanDerWaalsContact CD-OD1 3.23Å; R274-D290 WeakPolarHBondContact CD-OD1 3.43Å; S286-D290 PolarHBondContact O-N 3.47Å; S286-D290 VanDerWaalsContact O-N 3.07Å; D290-I292 PolarHBondContact O-N 3.05Å; D290-A293 WeakPolarHBondContact O-CB 3.47Å; D290-A293 PolarHBondContact O-N 3.08Å; D290-A293 VanDerWaalsContact O-N 3.14Å; D290-L294 WeakPolarHBondContact O-CG 3.39Å; D290-L294 PolarHBondContact O-N 3.07Å
291L81.2Confident77.5Confident38 Ų3862.6 Ų62.620%0.19931%0.308CS..Hα-helixtrans-58.6-44.3170.8179.464.8000112W179 H287 A293 L294 L295W179-L291 HydrophobicContact CG-CD1 4.31Å; H287-L291 WeakPolarHBondContact O-CB 3.27Å; H287-L291 PolarHBondContact O-N 3.23Å; L291-A293 VanDerWaalsContact C-N 3.31Å; L291-A293 PolarHBondContact O-N 2.92Å; L291-L294 PolarHBondContact O-N 2.91Å; L291-L295 HydrophobicContact CD1-CD1 4.46Å; L291-L295 HydrophobicContact CD1-CG 4.41Å; L291-L295 HydrophobicContact CG-CD1 4.09Å; L291-L295 HydrophobicContact CG-CG 4.48Å; L291-L295 WeakPolarHBondContact O-CB 3.29Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 3.42Å
292I84.8Confident78.5Confident78 Ų7861.5 Ų61.540%0.429%0.292SS..Hα-helixtrans-59.1-42.8174.6-74.4163.5000110.7K288 M289 D290 L295 F296K288-I292 WeakPolarHBondContact O-CD1 3.37Å; K288-I292 WeakPolarHBondContact O-CG1 3.3Å; K288-I292 PolarHBondContact O-N 2.73Å; M289-I292 PolarHBondContact O-N 3.45Å; M289-I292 HydrophobicContact SD-CD1 4.05Å; D290-I292 PolarHBondContact O-N 3.05Å; I292-L295 PolarHBondContact O-N 2.95Å; I292-F296 HydrophobicContact CG2-CD2 3.73Å; I292-F296 HydrophobicContact CG2-CE2 3.8Å; I292-F296 WeakPolarHBondContact O-CD2 3.45Å; I292-F296 PolarHBondContact O-N 2.65Å
293A86.6Confident79.5Confident1 Ų156.6 Ų56.61%0.00827%0.272CS..Hα-helixtrans-64.4-40177.400000112.9P270 L271 R274 M289 D290 L291 F296 L297P270-A293 HydrophobicContact CB-CB 4.22Å; L271-A293 HydrophobicContact CB-CB 4.42Å; L271-A293 HydrophobicContact CD1-CB 4.22Å; R274-A293 HydrophobicContact CG-CB 4.06Å; M289-A293 PolarHBondContact O-N 3.4Å; D290-A293 WeakPolarHBondContact O-CB 3.47Å; D290-A293 PolarHBondContact O-N 3.08Å; D290-A293 VanDerWaalsContact O-N 3.14Å; L291-A293 VanDerWaalsContact C-N 3.31Å; L291-A293 PolarHBondContact O-N 2.92Å; A293-F296 PolarHBondContact O-N 3.14Å; A293-L297 WeakPolarHBondContact O-CB 3.25Å; A293-L297 PolarHBondContact O-N 2.78Å
294L85.8Confident80.5Confident0 Ų048.9 Ų48.90%024%0.243CC..Hα-helixtrans-66.2-36.1173.7-67.5172.5000112.5Y174 F181 M184 L271 D290 L291 L297 S298Y174-L294 HydrophobicContact CD1-CD1 4.48Å; Y174-L294 HydrophobicContact CD2-CD1 4.03Å; Y174-L294 HydrophobicContact CG-CD1 4Å; F181-L294 HydrophobicContact CB-CD1 4.22Å; F181-L294 HydrophobicContact CB-CD2 3.82Å; F181-L294 HydrophobicContact CD1-CD2 3.81Å; F181-L294 HydrophobicContact CD2-CD2 3.73Å; F181-L294 HydrophobicContact CE1-CD2 4.32Å; F181-L294 HydrophobicContact CE2-CD2 4.25Å; F181-L294 HydrophobicContact CG-CD2 3.49Å; F181-L294 VanDerWaalsContact CG-CD2 3.49Å; M184-L294 HydrophobicContact CE-CD1 4.47Å; M184-L294 HydrophobicContact CE-CD2 3.78Å; M184-L294 HydrophobicContact CE-CG 4.06Å; L271-L294 HydrophobicContact CD1-CD2 3.92Å; D290-L294 WeakPolarHBondContact O-CG 3.39Å; D290-L294 PolarHBondContact O-N 3.07Å; L291-L294 PolarHBondContact O-N 2.91Å; L294-L297 PolarHBondContact O-N 3.29Å; L294-S298 WeakPolarHBondContact O-CB 3.28Å; L294-S298 PolarHBondContact O-N 3.32Å; L294-S298 PolarHBondContact O-OG 2.88Å
295L86.8Confident81.6Confident39 Ų3940.1 Ų40.120%0.20421%0.205CC..Hα-helixtrans-67-41.8173.4-72169.8000111.7I23 M27 W179 L291 I292 S298 T299I23-L295 HydrophobicContact CG2-CD2 4.49Å; M27-L295 HydrophobicContact CE-CD2 4.27Å; M27-L295 HydrophobicContact SD-CD2 3.91Å; W179-L295 HydrophobicContact CH2-CD2 4.14Å; W179-L295 HydrophobicContact CZ2-CD2 3.69Å; L291-L295 HydrophobicContact CD1-CD1 4.46Å; L291-L295 HydrophobicContact CD1-CG 4.41Å; L291-L295 HydrophobicContact CG-CD1 4.09Å; L291-L295 HydrophobicContact CG-CG 4.48Å; L291-L295 WeakPolarHBondContact O-CB 3.29Å; L291-L295 VanDerWaalsContact O-CG 3.28Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 3.42Å; I292-L295 PolarHBondContact O-N 2.95Å; L295-S298 WeakPolarHBondContact CA-OG 3.43Å; L295-S298 PolarHBondContact O-OG 3.36Å; L295-T299 VanDerWaalsContact O-CB 3.28Å; L295-T299 WeakPolarHBondContact O-CB 3.31Å; L295-T299 PolarHBondContact O-N 3.41Å; L295-T299 PolarHBondContact O-OG1 3.33Å
296F87.6Confident82.5Confident87 Ų8739.6 Ų39.638%0.38220%0.199SC..Hα-helixtrans-62.6-43.2173.2-92.4-77.6000111.9I266 C267 P270 I292 A293 T299I266-F296 HydrophobicContact CG2-CE1 4.35Å; C267-F296 VanDerWaalsContact CB-O 3.29Å; C267-F296 WeakPolarHBondContact CB-O 3.17Å; C267-F296 CarbonylContact O-C 3.48Å; C267-F296 PolarHBondContact SG-O 3.32Å; C267-F296 VanDerWaalsContact SG-O 3.36Å; P270-F296 HydrophobicContact CG-CB 4.26Å; P270-F296 HydrophobicContact CG-CD2 4.39Å; P270-F296 HydrophobicContact CG-CG 4.19Å; I292-F296 HydrophobicContact CG2-CD2 3.73Å; I292-F296 HydrophobicContact CG2-CE2 3.8Å; I292-F296 WeakPolarHBondContact O-CD2 3.45Å; I292-F296 PolarHBondContact O-N 2.65Å; A293-F296 PolarHBondContact O-N 3.14Å; F296-T299 WeakPolarHBondContact O-CB 3.28Å; F296-T299 PolarHBondContact O-N 3.42Å
297L86.9Confident82.9Confident9 Ų938.2 Ų38.25%0.04719%0.189CC..Hα-helixtrans-61.5-50.5177.8-169.872.5000112.1S113 F181 M202 C267 L271 A293 L294 T299 N300S113-L297 WeakPolarHBondContact OG-CD1 3.03Å; F181-L297 HydrophobicContact CE2-CD2 4.16Å; F181-L297 HydrophobicContact CZ-CD2 4.24Å; M202-L297 HydrophobicContact CE-CD1 3.77Å; C267-L297 PolarHBondContact O-N 2.73Å; L271-L297 HydrophobicContact CD1-CD2 4.24Å; L271-L297 HydrophobicContact CD2-CD1 4.08Å; L271-L297 HydrophobicContact CD2-CD2 3.81Å; L271-L297 HydrophobicContact CD2-CG 4.48Å; A293-L297 WeakPolarHBondContact O-CB 3.25Å; A293-L297 PolarHBondContact O-N 2.78Å; L294-L297 PolarHBondContact O-N 3.29Å; L297-T299 VanDerWaalsContact C-N 3.28Å; L297-T299 PolarHBondContact O-N 2.99Å; L297-N300 VanDerWaalsContact O-CB 3.27Å; L297-N300 WeakPolarHBondContact O-CB 3.37Å; L297-N300 PolarHBondContact O-N 3.09Å
298S85.2Confident83.2Confident23 Ų2336.5 Ų36.516%0.16118%0.181CC..Hα-helixtrans-70-22.7179.452.70000113.6M27 W179 L294 L295 N300M27-S298 WeakPolarHBondContact CE-OG 3.46Å; W179-S298 WeakPolarHBondContact CH2-OG 3.34Å; L294-S298 WeakPolarHBondContact O-CB 3.28Å; L294-S298 PolarHBondContact O-N 3.32Å; L294-S298 PolarHBondContact O-OG 2.88Å; L295-S298 WeakPolarHBondContact CA-OG 3.43Å; L295-S298 PolarHBondContact O-OG 3.36Å; S298-N300 PolarHBondContact O-N 3.36Å
299T84.8Confident83.1Confident43 Ų4329.8 Ų29.826%0.26415%0.153SC..Hα-helixtrans-65.5-24.1172-64.20000112.5L295 F296 L297 S301 I302 V303L295-T299 VanDerWaalsContact O-CB 3.28Å; L295-T299 WeakPolarHBondContact O-CB 3.31Å; L295-T299 PolarHBondContact O-N 3.41Å; L295-T299 PolarHBondContact O-OG1 3.33Å; F296-T299 WeakPolarHBondContact O-CB 3.28Å; F296-T299 PolarHBondContact O-N 3.42Å; L297-T299 VanDerWaalsContact C-N 3.28Å; L297-T299 PolarHBondContact O-N 2.99Å; T299-S301 PolarHBondContact O-N 2.91Å; T299-I302 WeakPolarHBondContact O-CB 3.39Å; T299-I302 PolarHBondContact O-N 2.83Å; T299-I302 VanDerWaalsContact O-N 3.12Å; T299-V303 HydrophobicContact CG2-CG2 3.65Å; T299-V303 WeakPolarHBondContact O-CG2 3.39Å; T299-V303 PolarHBondContact O-N 3.44Å
300N84.1Confident82.9Confident5 Ų531.1 Ų31.13%0.02716%0.156CC..Hα-helixtrans-57.5-55.1-178.1-169.981.7000112.6F264 C267 L297 S298 I302 V303 D304F264-N300 WeakPolarHBondContact CA-OD1 3.34Å; F264-N300 VanDerWaalsContact CD2-CG 3.47Å; F264-N300 WeakPolarHBondContact CD2-ND2 3.44Å; F264-N300 WeakPolarHBondContact CD2-OD1 3.46Å; F264-N300 WeakPolarHBondContact CE2-ND2 3.29Å; C267-N300 HydrophobicContact CB-CB 3.99Å; L297-N300 VanDerWaalsContact O-CB 3.27Å; L297-N300 WeakPolarHBondContact O-CB 3.37Å; L297-N300 PolarHBondContact O-N 3.09Å; S298-N300 PolarHBondContact O-N 3.36Å; N300-I302 PolarHBondContact O-N 3.48Å; N300-V303 PolarHBondContact O-N 2.8Å; N300-D304 PolarHBondContact ND2-OD2 3.49Å; N300-D304 PolarHBondContact O-N 3.14Å
301S82.8Confident82.1Confident20 Ų2032.3 Ų32.314%0.1416%0.163CC..Hα-helixtrans-63.4-10.1178.6-64.40000114.5N35 D69 T299N35-S301 PolarHBondContact ND2-O 3.34Å; N35-S301 VanDerWaalsContact ND2-O 3.13Å; D69-S301 WeakPolarHBondContact OD1-CB 3.37Å; D69-S301 PolarHBondContact OD1-OG 2.97Å; T299-S301 PolarHBondContact O-N 2.91Å
302I84.4Confident81.3Confident19 Ų1930.5 Ų30.510%0.09715%0.153CC..Hα-helixtrans-89.7-47.2172.1-58.7169000109.8M27 A30 T299 N300 P305M27-I302 HydrophobicContact CB-CD1 3.54Å; M27-I302 HydrophobicContact CE-CD1 3.84Å; M27-I302 HydrophobicContact CG-CD1 3.82Å; M27-I302 WeakPolarHBondContact O-CD1 3.45Å; A30-I302 HydrophobicContact CB-CG2 3.8Å; T299-I302 WeakPolarHBondContact O-CB 3.39Å; T299-I302 PolarHBondContact O-N 2.83Å; T299-I302 VanDerWaalsContact O-N 3.12Å; N300-I302 PolarHBondContact O-N 3.48Å; I302-P305 VanDerWaalsContact O-CD 3.3Å; I302-P305 WeakPolarHBondContact O-CD 3.46Å; I302-P305 WeakPolarHBondContact O-CG 3.42Å
303V83.4Confident80.2Confident42 Ų4227.2 Ų27.226%0.25514%0.137SC..Hα-helixtrans-75-36.3-171.8178.60000112.2I263 T299 N300 W306 V307I263-V303 HydrophobicContact CD1-CG1 3.97Å; I263-V303 HydrophobicContact CG2-CB 4.16Å; I263-V303 HydrophobicContact CG2-CG1 3.69Å; T299-V303 HydrophobicContact CG2-CG2 3.65Å; T299-V303 WeakPolarHBondContact O-CG2 3.39Å; T299-V303 PolarHBondContact O-N 3.44Å; N300-V303 PolarHBondContact O-N 2.8Å; V303-W306 PolarHBondContact O-N 3.4Å; V303-V307 HydrophobicContact CG1-CG2 3.62Å; V303-V307 VanDerWaalsContact O-CG2 3.32Å; V303-V307 WeakPolarHBondContact O-CG2 3.37Å; V303-V307 PolarHBondContact O-N 3.23Å
304D81Confident78.9Confident1 Ų130 Ų301%0.00516%0.157CC..Hα-helixtrans-50-53.1-179.3-74.3-15.5000114.1M260 N300 W306 V307 F308M260-D304 WeakPolarHBondContact CE-O 3.35Å; M260-D304 HydrophobicContact SD-CB 4.12Å; N300-D304 PolarHBondContact ND2-OD2 3.49Å; N300-D304 PolarHBondContact O-N 3.14Å; D304-W306 VanDerWaalsContact C-N 3.35Å; D304-W306 PolarHBondContact O-N 3.05Å; D304-V307 PolarHBondContact O-N 3.15Å; D304-F308 PolarHBondContact O-N 2.84Å
305P82.2Confident77.5Confident1 Ų131.9 Ų31.91%0.00617%0.168CC..Hα-helixtrans-62.6-35.9176.826.8-38.9000113.7N35 A38 I302 F308 I309N35-P305 WeakPolarHBondContact OD1-CG 3.45Å; A38-P305 HydrophobicContact CB-CB 3.82Å; I302-P305 VanDerWaalsContact O-CD 3.3Å; I302-P305 WeakPolarHBondContact O-CD 3.46Å; I302-P305 WeakPolarHBondContact O-CG 3.42Å; P305-F308 PolarHBondContact O-N 2.82Å; P305-I309 WeakPolarHBondContact O-CD1 3.31Å; P305-I309 VanDerWaalsContact O-CG1 3.23Å; P305-I309 WeakPolarHBondContact O-CG1 3.17Å; P305-I309 PolarHBondContact O-N 2.93Å
306W82.1Confident76.2Confident78 Ų7832.6 Ų32.630%0.29517%0.172SC..Hα-helixtrans-66.1-43.6177.5-67.1111.5000111.4A30 I33 V303 D304 F308 I309 F310A30-W306 PolarHBondContact O-NE1 3.1Å; A30-W306 VanDerWaalsContact O-NE1 3.11Å; I33-W306 HydrophobicContact CG2-CH2 4Å; I33-W306 HydrophobicContact CG2-CZ2 4.25Å; V303-W306 PolarHBondContact O-N 3.4Å; D304-W306 VanDerWaalsContact C-N 3.35Å; D304-W306 PolarHBondContact O-N 3.05Å; W306-F308 VanDerWaalsContact C-N 3.28Å; W306-F308 PolarHBondContact O-N 3.08Å; W306-I309 PolarHBondContact O-N 3.39Å; W306-I309 VanDerWaalsContact O-N 3.14Å; W306-F310 HydrophobicContact CB-CD2 4.16Å; W306-F310 HydrophobicContact CB-CE2 4.11Å; W306-F310 HydrophobicContact CD2-CE2 4.4Å; W306-F310 AromaticContact CE3-CE2 3.72Å; W306-F310 HydrophobicContact CE3-CE2 3.72Å; W306-F310 HydrophobicContact CE3-CZ 4.07Å; W306-F310 WeakPolarHBondContact O-CD2 3.25Å; W306-F310 PolarHBondContact O-N 2.71Å
307V81.5Confident74.9Confident13 Ų1334.3 Ų34.38%0.07918%0.175CC..Hα-helixtrans-58.6-43.5174.2174.50000109.8F259 M260 I263 V303 D304 I309 L311F259-V307 HydrophobicContact CB-CG1 4.12Å; M260-V307 HydrophobicContact CE-CB 3.88Å; M260-V307 HydrophobicContact CE-CG1 3.77Å; M260-V307 HydrophobicContact CG-CG1 4.23Å; M260-V307 HydrophobicContact SD-CB 3.76Å; M260-V307 HydrophobicContact SD-CG1 3.54Å; M260-V307 VanDerWaalsContact SD-CG1 3.54Å; I263-V307 HydrophobicContact CD1-CG1 4.42Å; I263-V307 HydrophobicContact CD1-CG2 3.35Å; V303-V307 HydrophobicContact CG1-CG2 3.62Å; V303-V307 VanDerWaalsContact O-CG2 3.32Å; V303-V307 WeakPolarHBondContact O-CG2 3.37Å; V303-V307 PolarHBondContact O-N 3.23Å; D304-V307 PolarHBondContact O-N 3.15Å; V307-I309 VanDerWaalsContact C-N 3.35Å; V307-I309 PolarHBondContact O-N 3.47Å; V307-L311 HydrophobicContact CB-CD1 4.44Å; V307-L311 HydrophobicContact CG1-CD1 3.55Å; V307-L311 WeakPolarHBondContact O-CB 3.35Å; V307-L311 PolarHBondContact O-N 2.98Å
308F76.5Confident73.5Confident7 Ų741.1 Ų41.13%0.03121%0.205CC..Hα-helixtrans-63.5-36.3175.9178.2-98.6000113.4A38 L41 L42 V62 V256 M260 D304 P305 W306 S312A38-F308 HydrophobicContact CB-CD1 4.26Å; L41-F308 HydrophobicContact CD2-CE1 4.29Å; L42-F308 HydrophobicContact CD1-CE1 4.36Å; L42-F308 HydrophobicContact CD2-CE1 3.84Å; L42-F308 HydrophobicContact CD2-CE2 4.38Å; L42-F308 HydrophobicContact CD2-CZ 3.47Å; L42-F308 VanDerWaalsContact CD2-CZ 3.47Å; L42-F308 HydrophobicContact CG-CE1 3.79Å; L42-F308 HydrophobicContact CG-CZ 3.98Å; V62-F308 HydrophobicContact CG1-CD2 3.92Å; V62-F308 HydrophobicContact CG1-CE2 3.75Å; V62-F308 HydrophobicContact CG1-CG 4.43Å; V62-F308 HydrophobicContact CG1-CZ 4.13Å; V256-F308 HydrophobicContact CG1-CD2 4.36Å; M260-F308 HydrophobicContact CE-CB 3.67Å; D304-F308 PolarHBondContact O-N 2.84Å; P305-F308 PolarHBondContact O-N 2.82Å; W306-F308 VanDerWaalsContact C-N 3.28Å; W306-F308 PolarHBondContact O-N 3.08Å; F308-S312 WeakPolarHBondContact O-CA 3.08Å; F308-S312 WeakPolarHBondContact O-CB 3.19Å; F308-S312 PolarHBondContact O-N 2.88Å; F308-S312 PolarHBondContact O-OG 2.9Å
309I75.1Confident72.2Confident29 Ų2945 Ų4515%0.14922%0.219CC..Hα-helixtrans-75.9-42.5178.8-68159.4000111.8A37 A38 L41 P305 W306 V307 S312 V315A37-I309 HydrophobicContact CB-CD1 3.81Å; A38-I309 HydrophobicContact CB-CD1 4.07Å; A38-I309 HydrophobicContact CB-CG1 4.21Å; L41-I309 HydrophobicContact CD2-CG1 4.23Å; P305-I309 WeakPolarHBondContact O-CD1 3.31Å; P305-I309 VanDerWaalsContact O-CG1 3.23Å; P305-I309 WeakPolarHBondContact O-CG1 3.17Å; P305-I309 PolarHBondContact O-N 2.93Å; W306-I309 PolarHBondContact O-N 3.39Å; W306-I309 VanDerWaalsContact O-N 3.14Å; V307-I309 VanDerWaalsContact C-N 3.35Å; V307-I309 PolarHBondContact O-N 3.47Å; I309-S312 WeakPolarHBondContact O-CB 3.41Å; I309-V315 WeakPolarHBondContact O-CG2 3.13Å
310F74.8Confident71Confident114 Ų11451.7 Ų51.750%0.524%0.24SC..Hα-helixtrans-79.3-44.8-176.9-69.9-59000112.9W306 S312 V315W306-F310 HydrophobicContact CB-CD2 4.16Å; W306-F310 HydrophobicContact CB-CE2 4.11Å; W306-F310 HydrophobicContact CD2-CE2 4.4Å; W306-F310 AromaticContact CE3-CE2 3.72Å; W306-F310 HydrophobicContact CE3-CE2 3.72Å; W306-F310 HydrophobicContact CE3-CZ 4.07Å; W306-F310 WeakPolarHBondContact O-CD2 3.25Å; W306-F310 PolarHBondContact O-N 2.71Å; F310-S312 PolarHBondContact O-N 3.29Å; F310-V315 WeakPolarHBondContact O-CG1 3.43Å
311L66Low69.6Low32 Ų3253.1 Ų53.117%0.16826%0.255CS..SBendtrans-83.28.7176.4-69.1139.1000112.6I255 V256 F259 V307 L316I255-L311 HydrophobicContact CG2-CD2 4.24Å; V256-L311 HydrophobicContact CG2-CB 3.88Å; V256-L311 WeakPolarHBondContact CG2-O 3.38Å; F259-L311 HydrophobicContact CB-CD1 3.82Å; F259-L311 HydrophobicContact CD2-CD1 3.88Å; F259-L311 HydrophobicContact CD2-CD2 3.56Å; F259-L311 HydrophobicContact CD2-CG 4.35Å; F259-L311 HydrophobicContact CE2-CD2 3.67Å; F259-L311 HydrophobicContact CG-CD1 3.86Å; F259-L311 HydrophobicContact CG-CD2 4.34Å; V307-L311 HydrophobicContact CB-CD1 4.44Å; V307-L311 HydrophobicContact CG1-CD1 3.55Å; V307-L311 WeakPolarHBondContact O-CB 3.35Å; V307-L311 PolarHBondContact O-N 2.98Å; L311-L316 HydrophobicContact CB-CD1 4.38Å; L311-L316 HydrophobicContact CD2-CD1 4.37Å; L311-L316 HydrophobicContact CD2-CD2 4.34Å; L311-L316 WeakPolarHBondContact O-CD1 2.96Å
312S65.6Low68.4Low0 Ų054.5 Ų54.50%027%0.268CS..SBendtrans-61.9137.5177-1160000111.9R45 F308 I309 F310 S314 V315 L316R45-S312 VanDerWaalsContact CZ-OG 3.28Å; R45-S312 PolarHBondContact NH1-OG 2.9Å; R45-S312 PolarHBondContact NH2-OG 2.03Å; F308-S312 WeakPolarHBondContact O-CA 3.08Å; F308-S312 WeakPolarHBondContact O-CB 3.19Å; F308-S312 PolarHBondContact O-N 2.88Å; F308-S312 PolarHBondContact O-OG 2.9Å; I309-S312 WeakPolarHBondContact O-CB 3.41Å; F310-S312 PolarHBondContact O-N 3.29Å; S312-S314 PolarHBondContact O-N 2.94Å; S312-V315 WeakPolarHBondContact O-CA 3.22Å; S312-V315 PolarHBondContact O-N 2.94Å; S312-L316 PolarHBondContact O-N 2.89Å
313P61.7Low67.1Low8 Ų859.6 Ų59.65%0.05230%0.295CS..Hα-helixtrans-43.6-42.6178.9-34.534.6000115.7E252 V315 R317E252-P313 HydrophobicContact CB-CB 4.37Å; E252-P313 HydrophobicContact CB-CG 3.91Å; E252-P313 WeakPolarHBondContact OE2-CB 3.44Å; P313-V315 VanDerWaalsContact C-N 3.34Å; P313-V315 PolarHBondContact O-N 3.37Å; P313-R317 VanDerWaalsContact O-CB 3.3Å; P313-R317 WeakPolarHBondContact O-CB 3.44Å; P313-R317 VanDerWaalsContact O-CG 3.31Å; P313-R317 WeakPolarHBondContact O-CG 3.37Å; P313-R317 PolarHBondContact O-N 2.75Å; P313-R317 PolarHBondContact O-NE 3.03Å
314S57.9Low65.7Low61 Ų6161 Ų6143%0.42731%0.306SS..Hα-helixtrans-65.1-37.6180-41.30000112.8R45 S312 F318R45-S314 PolarHBondContact NH2-OG 2.82Å; S312-S314 PolarHBondContact O-N 2.94Å; S314-F318 WeakPolarHBondContact O-CB 3.38Å; S314-F318 PolarHBondContact O-N 3.48Å
315V57.3Low64.1Low38 Ų3869.5 Ų69.523%0.2334%0.343CS..Hα-helixtrans-85.2-42.4-174.3176.60000109.7I309 F310 S312 P313 R317 F318 F319I309-V315 WeakPolarHBondContact O-CG2 3.13Å; F310-V315 WeakPolarHBondContact O-CG1 3.43Å; S312-V315 WeakPolarHBondContact O-CA 3.22Å; S312-V315 PolarHBondContact O-N 2.94Å; P313-V315 VanDerWaalsContact C-N 3.34Å; P313-V315 PolarHBondContact O-N 3.37Å; V315-R317 PolarHBondContact O-N 3Å; V315-F318 WeakPolarHBondContact O-CB 3.46Å; V315-F318 PolarHBondContact O-N 3.45Å; V315-F318 VanDerWaalsContact O-N 3.13Å; V315-F319 HydrophobicContact CG1-CD2 3.55Å; V315-F319 HydrophobicContact CG1-CE2 3.37Å; V315-F319 VanDerWaalsContact O-CD2 3.3Å; V315-F319 WeakPolarHBondContact O-CD2 3.19Å; V315-F319 PolarHBondContact O-N 2.96Å
316L58.7Low62Low55 Ų5574.5 Ų74.529%0.28837%0.374SS..Hα-helixtrans-59.6-43.5169.9-71.9-179.1000112.4L311 S312 F318 F319 W320L311-L316 HydrophobicContact CB-CD1 4.38Å; L311-L316 HydrophobicContact CD2-CD1 4.37Å; L311-L316 HydrophobicContact CD2-CD2 4.34Å; L311-L316 WeakPolarHBondContact O-CD1 2.96Å; S312-L316 PolarHBondContact O-N 2.89Å; L316-F318 VanDerWaalsContact C-N 3.3Å; L316-F318 PolarHBondContact O-N 3.2Å; L316-F319 PolarHBondContact O-N 3.46Å; L316-W320 WeakPolarHBondContact O-CB 3.42Å; L316-W320 PolarHBondContact O-N 3.1Å
317R60.9Low59.9Low123 Ų12376.4 Ų76.446%0.46440%0.396SS..Hα-helixtrans-66.2-30.5174.3-75.3-171-71.1-102.95.6113.2E252 P313 V315 G321E252-R317 IonicContact OE1-CZ 3.12Å; E252-R317 IonicContact OE1-NH1 2.69Å; E252-R317 PolarHBondContact OE1-NH1 3.36Å; E252-R317 IonicContact OE2-CZ 2.75Å; E252-R317 IonicContact OE2-NH1 3.91Å; E252-R317 PolarHBondContact OE2-NH1 3.39Å; P313-R317 VanDerWaalsContact O-CB 3.3Å; P313-R317 WeakPolarHBondContact O-CB 3.44Å; P313-R317 VanDerWaalsContact O-CG 3.31Å; P313-R317 WeakPolarHBondContact O-CG 3.37Å; P313-R317 PolarHBondContact O-N 2.75Å; P313-R317 PolarHBondContact O-NE 3.03Å; V315-R317 PolarHBondContact O-N 3Å; R317-G321 WeakPolarHBondContact O-CA 3.48Å; R317-G321 PolarHBondContact O-N 3.41Å
318F58.5Low57.7Low151 Ų15184 Ų8466%0.66244%0.435SS*.Hα-helixtrans-70.8-50174-179.4-97.1000111.4S314 V315 L316 G321 A322S314-F318 WeakPolarHBondContact O-CB 3.38Å; S314-F318 PolarHBondContact O-N 3.48Å; V315-F318 WeakPolarHBondContact O-CB 3.46Å; V315-F318 PolarHBondContact O-N 3.45Å; V315-F318 VanDerWaalsContact O-N 3.13Å; L316-F318 VanDerWaalsContact C-N 3.3Å; L316-F318 PolarHBondContact O-N 3.2Å; F318-G321 CarbonylContact O-C 3.6Å; F318-G321 PolarHBondContact O-N 2.93Å; F318-A322 WeakPolarHBondContact O-CB 3.25Å; F318-A322 PolarHBondContact O-N 3.36Å
319F56.4Low55.8Low106 Ų10691.9 Ų91.947%0.46548%0.477SS..Hα-helixtrans-64.2-43.1176.6-77.9-60.8000112.6V315 L316 G321 A322 L323V315-F319 HydrophobicContact CG1-CD2 3.55Å; V315-F319 HydrophobicContact CG1-CE2 3.37Å; V315-F319 VanDerWaalsContact O-CD2 3.3Å; V315-F319 WeakPolarHBondContact O-CD2 3.19Å; V315-F319 PolarHBondContact O-N 2.96Å; L316-F319 PolarHBondContact O-N 3.46Å; F319-G321 VanDerWaalsContact C-N 3.34Å; F319-A322 WeakPolarHBondContact O-CB 3.19Å; F319-A322 PolarHBondContact O-N 3.4Å; F319-A322 VanDerWaalsContact O-N 3.11Å; F319-L323 PolarHBondContact O-N 3.26Å
320W60.4Low53.9Low183 Ų183101.9 Ų101.969%0.69351%0.512SS*.Hα-helixtrans-65.5-38.7174.2-164.3-89.7000111.3L316 A322 C324L316-W320 WeakPolarHBondContact O-CB 3.42Å; L316-W320 PolarHBondContact O-N 3.1Å; W320-A322 PolarHBondContact O-N 2.86Å; W320-C324 PolarHBondContact NE1-SG 3.27Å; W320-C324 WeakPolarHBondContact O-CB 3.11Å; W320-C324 PolarHBondContact O-N 3.24Å
321G55.6Low51.9Low34 Ų34101 Ų10135%0.35152%0.52SS..Hα-helixtrans-67.1-18.7171.700000114.4R317 F318 F319 K325R317-G321 WeakPolarHBondContact O-CA 3.48Å; R317-G321 PolarHBondContact O-N 3.41Å; F318-G321 CarbonylContact O-C 3.6Å; F318-G321 PolarHBondContact O-N 2.93Å; F319-G321 VanDerWaalsContact C-N 3.34Å; G321-K325 WeakPolarHBondContact O-CB 3.15Å; G321-K325 VanDerWaalsContact O-CD 3.29Å; G321-K325 WeakPolarHBondContact O-CD 3.38Å; G321-K325 WeakPolarHBondContact O-CG 3.37Å
322A57.1Low50.3Low50 Ų50110.8 Ų110.841%0.41356%0.555SS.*Hα-helixtrans-89.4-44.9172.900000111.8F318 F319 W320 K325F318-A322 WeakPolarHBondContact O-CB 3.25Å; F318-A322 PolarHBondContact O-N 3.36Å; F319-A322 WeakPolarHBondContact O-CB 3.19Å; F319-A322 PolarHBondContact O-N 3.4Å; F319-A322 VanDerWaalsContact O-N 3.11Å; W320-A322 PolarHBondContact O-N 2.86Å; A322-K325 WeakPolarHBondContact O-CB 3.38Å; A322-K325 PolarHBondContact O-N 3.25Å; A322-K325 VanDerWaalsContact O-N 3.1Å
323L57.1Low48.7Very low125 Ų125119 Ų11965%0.65459%0.594SS**Hα-helixtrans-64.7-43.5175.1-97.468000112F319 K325 T326F319-L323 PolarHBondContact O-N 3.26Å; L323-K325 PolarHBondContact O-N 3.44Å; L323-T326 PolarHBondContact O-N 3.39Å; L323-T326 PolarHBondContact O-OG1 3.24Å
324C53.1Low47.4Very low73 Ų73122.3 Ų122.349%0.49362%0.617SS.*THydrogen-bonded Turntrans-78.67.8173.2-63.40000113.5W320W320-C324 PolarHBondContact NE1-SG 3.27Å; W320-C324 WeakPolarHBondContact O-CB 3.11Å; W320-C324 PolarHBondContact O-N 3.24Å
325K47.1Very low46.2Very low178 Ų178127.8 Ų127.877%0.77463%0.633SS**THydrogen-bonded Turntrans-90.932.3161.8-89.5177.9-175.3-174.20112.5G321 A322 L323G321-K325 WeakPolarHBondContact O-CB 3.15Å; G321-K325 VanDerWaalsContact O-CD 3.29Å; G321-K325 WeakPolarHBondContact O-CD 3.38Å; G321-K325 WeakPolarHBondContact O-CG 3.37Å; A322-K325 WeakPolarHBondContact O-CB 3.38Å; A322-K325 PolarHBondContact O-N 3.25Å; A322-K325 VanDerWaalsContact O-N 3.1Å; L323-K325 PolarHBondContact O-N 3.44Å
326T38.9Very low45Very low107 Ų107134.7 Ų134.766%0.65666%0.661SS**SBendtrans-71.6137.3141.631.70000108.6L323 L328L323-T326 PolarHBondContact O-N 3.39Å; L323-T326 PolarHBondContact O-OG1 3.24Å; T326-L328 PolarHBondContact O-N 3.32Å
327P38.3Very low43.8Very low118 Ų118141.1 Ų141.177%0.76669%0.686SS**SBendtrans-84.489.9-146.431.8-37.9000114.7L329P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.48Å
328L35Very low42.4Very low173 Ų173140.1 Ų140.191%0.90670%0.698SS**  trans-9233.1163.5-148.394.5000113.6T326T326-L328 PolarHBondContact O-N 3.32Å
329L36.9Very low41.2Very low172 Ų172138.2 Ų138.290%0.90170%0.704SS**  trans-128.843173.7-142.582.5000113.1P327P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.48Å
330R34.3Very low40.2Very low238 Ų238141.2 Ų141.290%0.89872%0.723SS**SBendtrans-134.640.9164.5-156.1177.1-178.4165.91.1112.9
331S32.6Very low39.1Very low95 Ų95135.3 Ų135.366%0.66472%0.719SS**SBendtrans-142.138.5173-154.70000113.2
332R32.8Very low38Very low238 Ų238143.2 Ų143.290%0.89874%0.744SS**SBendtrans-134.714.4168.5-135.917792.4165.35.7115.4
333E32.2Very low36.6Very low174 Ų174150.3 Ų150.381%0.81377%0.769SS**SBendtrans-120.8-22.7170.3-71-169.7139.300113.6
334S33.4Very low35.2Very low76 Ų76149.8 Ų149.853%0.53177%0.771SS.*Hα-helixtrans-73.2-29.9175.854.20000113.1F336S334-F336 VanDerWaalsContact C-N 3.33Å; S334-F336 PolarHBondContact O-N 2.83Å
335F32.8Very low34Very low176 Ų176154.9 Ų154.977%0.77279%0.787SS**Hα-helixtrans-75.8-17.3-177.8-128.4-89.7000114.1
336F32.3Very low33.1Very low184 Ų184151 Ų15181%0.80779%0.788SS**Hα-helixtrans-90.6-14.7177.7-152.9-99.6000113.4S334S334-F336 VanDerWaalsContact C-N 3.33Å; S334-F336 PolarHBondContact O-N 2.83Å
337K33.2Very low32.5Very low189 Ų189154.4 Ų154.482%0.82280%0.796SS**Hα-helixtrans-92.8-8.9175.5-85.7-176.1172.5179.90114.8
338S31.9Very low32.1Very low103 Ų103156 Ų15672%0.7280%0.798SS**SBendtrans-89.4-16.6179.6-160.20000114.1
339S33.3Very low31.7Very low111 Ų111156.7 Ų156.778%0.77680%0.796SS**SBendtrans-97.6-1.6-176.2-165.10000114.7
340L36.9Very low31.4Very low168 Ų168155.7 Ų155.788%0.8879%0.791SS**SBendtrans-115.750.6-179.3-153.679.5000110.8
341G36.8Very low30.9Very low59 Ų59150.9 Ų150.961%0.60879%0.792SS**  trans-156.344-167.700000114.6
342K31.1Very low30.7Very low200 Ų200155 Ų15587%0.8780%0.8SS**  trans-177.482159.5-105.6162.4-175.9-178.60112.8
343Q28.6Very low31.6Very low200 Ų200148.4 Ų148.494%0.93579%0.789SS**  trans-160.1158.6131.3-118172.2-1800110
344T28.1Very low31.4Very low114 Ų114146.2 Ų146.270%0.69979%0.792SS**  trans-136.7127.8-139.1-56.80000111.7
345H27Very low31.2Very low180 Ų180146.6 Ų146.683%0.83380%0.8SS**  trans70.5147.3155.7-82-130.4000121.8
346A27.8Very low31Very low95 Ų95144.6 Ų144.679%0.78580%0.802SS**  trans66.1139.9165.600000116.5
347Q27.2Very low30.9Very low180 Ų180141 Ų14184%0.84180%0.8SS**  cis-146.1149.614.9-157.9174-17.500111.3
348L29.2Very low30.7Very low151 Ų151140.6 Ų140.679%0.79180%0.801SS**  trans-71.6141.1162.5-10674.5000109.3
349E28.2Very low30.6Very low188 Ų188144.9 Ų144.988%0.87981%0.807SS**  trans-153.3148.6137.2-90.4-131.4119.300111.6
350L28.8Very low30.5Very low151 Ų151146.3 Ų146.379%0.79181%0.811SS**  trans-88.2147.6174.9-8760.2000110
351C24.4Very low30.2Very low136 Ų136147.1 Ų147.192%0.91981%0.81SS**  -158.4157.6120.2-126.70000112.9
352H29.4Very low31Very low181 Ų181149.5 Ų149.584%0.83882%0.815SS**  trans-111.1-160.6-171-147.6-4000110.1
353P50.9Low31.7Very low101 Ų101145.4 Ų145.466%0.65681%0.809SS**  trans-112163.1-135.940.1-23.5000114.9
354S27.2Very low32Very low127 Ų127144 Ų14489%0.88880%0.804SS**  trans-159.6152160.5-73.80000108.4
355A30.3Very low32.2Very low84 Ų84144.1 Ų144.169%0.69481%0.81SS**  cis169.9129.7-2400000105.4
356V29.3Very low32.8Very low134 Ų134140.7 Ų140.781%0.81280%0.801SS**  trans58.3124.6148.6-1750000121.1
357S28.6Very low33Very low108 Ų108144.7 Ų144.776%0.75580%0.804SS**  trans140.9148.5136.558.40000112.2
358E29.1Very low33.3Very low181 Ų181145 Ų14585%0.84681%0.807SS**  cis-158.4172.1-32.8-164.3157.9-169.200108.4
359F30.4Very low33.5Very low193 Ų193148.1 Ų148.185%0.84683%0.832SS**  trans-61149.7-177.4-89.3-113.1000115.4
360T30.1Very low33.8Very low142 Ų142146.1 Ų146.187%0.87183%0.83SS**  -175.5155.5110.421.10000115.2
361H31Very low34Very low184 Ų184145.8 Ų145.885%0.85283%0.832SS**  trans-134.4177.6175.7-108.3-52.8000107.2
362P53.2Low34.6Very low109 Ų109146.4 Ų146.471%0.70883%0.827SS**  -105.6-152.5-81.738.4-16.8000110.3
363P47.4Very low34.9Very low115 Ų115144.4 Ų144.475%0.74783%0.826SS**  -154.6170.666.140.5-17.6000119.2
364M34.4Very low33.9Very low169 Ų169147.1 Ų147.183%0.83384%0.837SS**  trans25.1121.6152-73.6179.7128.300124.1
365S32.9Very low34.3Very low117 Ų117148.4 Ų148.482%0.81883%0.834SS**  -175149.1111.644.10000110.1
366T38Very low34.6Very low108 Ų108153 Ų15366%0.66384%0.844SS**  cis93.182.7-3.3-41.30000118.8
367H32.7Very low35Very low179 Ų179154.5 Ų154.583%0.82985%0.846SS**  -179.6125.9129.6-105.8-69.1000112.7
368M32.8Very low35.6Very low187 Ų187158.3 Ų158.392%0.92185%0.854SS**  trans-172.5140.5130.9-104.5-171.3-170.700110.1
369V34.8Very low36.1Very low216 Ų216156.3 Ų156.3100%1.30985%0.854SS**  trans70.40-168.2-164.30000113.7

Retrieved 369 of 369 residues in 2554.6 ms (Link to these results)