A0A087XB78_POEFO Loading...

Receptor expression-enhancing protein

AlphaFold DB , UniProt , Accession A0A087XB78, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 200 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.8Very low55.6Low223 Ų223119.2 Ų119.2100%1.09961%0.612SS**  05.70-105.5179.4-106.400114.7N5M1-N5 PolarHBondContact O-ND2 3.28Å
2G54Low57Low49 Ų49116.5 Ų116.551%0.50560%0.6SS.*  trans-91.5-40.2-17500000116.2W4 N5 V6G2-W4 PolarHBondContact O-N 3.45Å; G2-N5 PolarHBondContact O-N 3.5Å; G2-V6 WeakPolarHBondContact O-CG2 3.39Å; G2-V6 PolarHBondContact O-N 2.8Å
3L43.8Very low58.1Low145 Ų145121.5 Ų121.576%0.75961%0.607SS**Hα-helixtrans-65.2-40.4-173.4-86.2159000113.8N5 V6 F7L3-N5 VanDerWaalsContact C-N 3.31Å; L3-N5 PolarHBondContact O-N 2.62Å; L3-V6 PolarHBondContact O-N 2.88Å; L3-F7 WeakPolarHBondContact O-CB 3.37Å; L3-F7 PolarHBondContact O-N 3.5Å
4W45.7Very low58.7Low209 Ų209116.3 Ų116.379%0.79259%0.592SS**Hα-helixtrans-63.1-36.8179.1-71.9105000112.6G2 F7 T8G2-W4 PolarHBondContact O-N 3.45Å; W4-F7 PolarHBondContact O-N 3.45Å; W4-T8 WeakPolarHBondContact O-CG2 3.27Å; W4-T8 PolarHBondContact O-N 3.35Å; W4-T8 PolarHBondContact O-OG1 3.25Å
5N54.7Low59.6Low106 Ų106112.6 Ų112.657%0.56757%0.571SS**Hα-helixtrans-71.4-33.5177.5-80.4-32.3000113.3M1 G2 L3 T8 S9M1-N5 PolarHBondContact O-ND2 3.28Å; G2-N5 PolarHBondContact O-N 3.5Å; L3-N5 VanDerWaalsContact C-N 3.31Å; L3-N5 PolarHBondContact O-N 2.62Å; N5-T8 VanDerWaalsContact CA-OG1 3.31Å; N5-T8 WeakPolarHBondContact CA-OG1 3.36Å; N5-T8 PolarHBondContact O-OG1 2.8Å; N5-S9 WeakPolarHBondContact O-CB 3.48Å; N5-S9 PolarHBondContact O-N 2.91Å; N5-S9 PolarHBondContact O-OG 3.41Å; N5-S9 VanDerWaalsContact O-OG 3.08Å
6V57.1Low60.5Low67 Ų67116.2 Ų116.241%0.40658%0.576SS.*Hα-helixtrans-69.7-44.2173.9175.20000109.7G2 L3 T8 S9 I10G2-V6 WeakPolarHBondContact O-CG2 3.39Å; G2-V6 PolarHBondContact O-N 2.8Å; L3-V6 PolarHBondContact O-N 2.88Å; V6-T8 PolarHBondContact O-N 3.27Å; V6-S9 PolarHBondContact O-N 3.25Å; V6-I10 HydrophobicContact CG1-CD1 3.76Å; V6-I10 HydrophobicContact CG1-CG1 4.43Å; V6-I10 VanDerWaalsContact O-CG1 3.26Å; V6-I10 WeakPolarHBondContact O-CG1 3.28Å; V6-I10 PolarHBondContact O-N 2.85Å
7F50.9Low60.9Low151 Ų151117.3 Ų117.366%0.66258%0.577SS**Hα-helixtrans-62.6-42.6178.9-135.4-88.8000112.1L3 W4 I10 K11L3-F7 WeakPolarHBondContact O-CB 3.37Å; L3-F7 PolarHBondContact O-N 3.5Å; W4-F7 PolarHBondContact O-N 3.45Å; F7-I10 PolarHBondContact O-N 3.03Å; F7-K11 WeakPolarHBondContact O-CB 3.33Å; F7-K11 PolarHBondContact O-N 3.38Å
8T64.2Low61.2Low65 Ų65112.7 Ų112.740%0.39955%0.554SS.*Hα-helixtrans-66.5-42.7175.249.40000111.9W4 N5 V6 I10 K11 D12W4-T8 WeakPolarHBondContact O-CG2 3.27Å; W4-T8 PolarHBondContact O-N 3.35Å; W4-T8 PolarHBondContact O-OG1 3.25Å; N5-T8 VanDerWaalsContact CA-OG1 3.31Å; N5-T8 WeakPolarHBondContact CA-OG1 3.36Å; N5-T8 PolarHBondContact O-OG1 2.8Å; V6-T8 PolarHBondContact O-N 3.27Å; T8-I10 VanDerWaalsContact C-N 3.34Å; T8-I10 PolarHBondContact O-N 3.41Å; T8-K11 WeakPolarHBondContact O-CB 3.48Å; T8-K11 PolarHBondContact O-N 2.83Å; T8-D12 WeakPolarHBondContact O-CB 3.39Å; T8-D12 PolarHBondContact O-N 3.41Å
9S62Low61.6Low67 Ų67112.5 Ų112.547%0.46956%0.556SS.*Hα-helixtrans-61.8-39.3176-75.30000113.3N5 V6 R13N5-S9 WeakPolarHBondContact O-CB 3.48Å; N5-S9 PolarHBondContact O-N 2.91Å; N5-S9 PolarHBondContact O-OG 3.41Å; N5-S9 VanDerWaalsContact O-OG 3.08Å; V6-S9 PolarHBondContact O-N 3.25Å; S9-R13 WeakPolarHBondContact O-CG 3.29Å; S9-R13 PolarHBondContact O-N 3.39Å
10I65.9Low62.3Low105 Ų105112.7 Ų112.754%0.53856%0.555SS.*Hα-helixtrans-67.4-44.1176.1-68.2167.7000110V6 F7 T8 D12 R13 A14V6-I10 HydrophobicContact CG1-CD1 3.76Å; V6-I10 HydrophobicContact CG1-CG1 4.43Å; V6-I10 VanDerWaalsContact O-CG1 3.26Å; V6-I10 WeakPolarHBondContact O-CG1 3.28Å; V6-I10 PolarHBondContact O-N 2.85Å; F7-I10 PolarHBondContact O-N 3.03Å; T8-I10 VanDerWaalsContact C-N 3.34Å; T8-I10 PolarHBondContact O-N 3.41Å; I10-D12 PolarHBondContact O-N 2.85Å; I10-R13 PolarHBondContact O-N 3.35Å; I10-A14 WeakPolarHBondContact O-CB 3.42Å; I10-A14 PolarHBondContact O-N 3.04Å
11K69.2Low62.1Low124 Ų124117.4 Ų117.454%0.53957%0.573SS.*Hα-helixtrans-58.2-47.4175.5-174.7-176.9175.5-173.70111.3F7 T8 R13 A14 E15F7-K11 WeakPolarHBondContact O-CB 3.33Å; F7-K11 PolarHBondContact O-N 3.38Å; T8-K11 WeakPolarHBondContact O-CB 3.48Å; T8-K11 PolarHBondContact O-N 2.83Å; K11-R13 VanDerWaalsContact C-N 3.32Å; K11-R13 PolarHBondContact O-N 3.43Å; K11-A14 PolarHBondContact O-N 3.01Å; K11-E15 WeakPolarHBondContact O-CG 3.36Å; K11-E15 PolarHBondContact O-N 3.38Å
12D72.7Confident63.1Low87 Ų87110.7 Ų110.747%0.46554%0.542SS..Hα-helixtrans-66.8-31.5-179.9-79.2-30.9000113.3T8 I10 R16T8-D12 WeakPolarHBondContact O-CB 3.39Å; T8-D12 PolarHBondContact O-N 3.41Å; I10-D12 PolarHBondContact O-N 2.85Å; D12-R16 PolarHBondContact O-N 3.41Å; D12-R16 VanDerWaalsContact O-N 3.15Å; D12-R16 PolarHBondContact O-NE 2.8Å
13R71.5Confident64Low182 Ų182113.5 Ų113.569%0.68755%0.549SS*.Hα-helixtrans-70.3-44.3172-76.6180-179.8-153.1-0.1111.5S9 I10 K11 E15 R16 F17S9-R13 WeakPolarHBondContact O-CG 3.29Å; S9-R13 PolarHBondContact O-N 3.39Å; I10-R13 PolarHBondContact O-N 3.35Å; K11-R13 VanDerWaalsContact C-N 3.32Å; K11-R13 PolarHBondContact O-N 3.43Å; R13-E15 VanDerWaalsContact C-N 3.32Å; R13-E15 PolarHBondContact O-N 3.08Å; R13-R16 PolarHBondContact O-N 3.49Å; R13-F17 WeakPolarHBondContact O-CB 3.49Å; R13-F17 PolarHBondContact O-N 3.03Å
14A65.9Low65.1Low48 Ų48111 Ų11140%0.39754%0.539SS..Hα-helixtrans-62.3-40.3176.700000111.6I10 K11 F17 L18I10-A14 WeakPolarHBondContact O-CB 3.42Å; I10-A14 PolarHBondContact O-N 3.04Å; K11-A14 PolarHBondContact O-N 3.01Å; A14-F17 PolarHBondContact O-N 2.92Å; A14-L18 WeakPolarHBondContact O-CB 3.32Å; A14-L18 VanDerWaalsContact O-CG 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.28Å; A14-L18 PolarHBondContact O-N 2.99Å
15E72.3Confident66.3Low61 Ų61102.1 Ų102.129%0.28551%0.508SS..Hα-helixtrans-65.8-38.3176.1-72.5-159.5178.900113K11 R13 N19 K40K11-E15 WeakPolarHBondContact O-CG 3.36Å; K11-E15 PolarHBondContact O-N 3.38Å; R13-E15 VanDerWaalsContact C-N 3.32Å; R13-E15 PolarHBondContact O-N 3.08Å; E15-N19 PolarHBondContact O-N 2.78Å; E15-K40 IonicContact OE1-NZ 2.8Å; E15-K40 PolarHBondContact OE1-NZ 3.49Å; E15-K40 IonicContact OE2-NZ 2.85Å; E15-K40 PolarHBondContact OE2-NZ 2.98Å
16R73.9Confident67.4Low170 Ų170102.4 Ų102.464%0.64251%0.509SS*.Hα-helixtrans-63.1-47.2171.4-98.7179.8-74.7178.3-9.3112D12 R13 L18 N19 E20D12-R16 PolarHBondContact O-N 3.41Å; D12-R16 VanDerWaalsContact O-N 3.15Å; D12-R16 PolarHBondContact O-NE 2.8Å; R13-R16 PolarHBondContact O-N 3.49Å; R16-L18 VanDerWaalsContact C-N 3.28Å; R16-L18 PolarHBondContact O-N 3.36Å; R16-N19 CarbonylContact O-C 3.49Å; R16-N19 PolarHBondContact O-N 3.01Å; R16-E20 PolarHBondContact O-N 3.42Å
17F67.7Low68.3Low135 Ų135102.9 Ų102.959%0.59251%0.512SS*.Hα-helixtrans-63.5-33.9-179.3-142.6-92.5000112.5R13 A14 N19R13-F17 WeakPolarHBondContact O-CB 3.49Å; R13-F17 PolarHBondContact O-N 3.03Å; A14-F17 PolarHBondContact O-N 2.92Å; F17-N19 VanDerWaalsContact C-N 3.28Å; F17-N19 PolarHBondContact O-N 2.89Å
18L66.4Low69.4Low34 Ų3496.7 Ų96.718%0.17849%0.486CS..THydrogen-bonded Turntrans-76-11.9174.5-75.5170.3000114.3A14 R16 T25 L28 K39 K40 A43A14-L18 WeakPolarHBondContact O-CB 3.32Å; A14-L18 VanDerWaalsContact O-CG 3.31Å; A14-L18 WeakPolarHBondContact O-CG 3.28Å; A14-L18 PolarHBondContact O-N 2.99Å; R16-L18 VanDerWaalsContact C-N 3.28Å; R16-L18 PolarHBondContact O-N 3.36Å; L18-T25 VanDerWaalsContact O-CG2 3.26Å; L18-T25 WeakPolarHBondContact O-CG2 3.33Å; L18-L28 HydrophobicContact CD2-CD2 3.82Å; L18-K39 PolarHBondContact O-NZ 3.45Å; L18-K39 VanDerWaalsContact O-NZ 3.08Å; L18-K40 HydrophobicContact CD1-CG 4.29Å; L18-A43 HydrophobicContact CD1-CB 4.25Å; L18-A43 HydrophobicContact CD2-CB 3.89Å
19N68.8Low70Confident109 Ų10994.9 Ų94.958%0.58348%0.481SS*.THydrogen-bonded Turntrans-104.5-9.6175.2-84.4-22.3000113E15 R16 F17 K39E15-N19 PolarHBondContact O-N 2.78Å; R16-N19 CarbonylContact O-C 3.49Å; R16-N19 PolarHBondContact O-N 3.01Å; F17-N19 VanDerWaalsContact C-N 3.28Å; F17-N19 PolarHBondContact O-N 2.89Å; N19-K39 PolarHBondContact OD1-NZ 3.41Å
20E74.7Confident70.8Confident116 Ų11698.5 Ų98.554%0.54249%0.488SS..SBendtrans-79.1131.2175.4-165156.2-161.800109.9R16 N22 T25R16-E20 PolarHBondContact O-N 3.42Å; E20-N22 PolarHBondContact O-N 2.76Å; E20-T25 WeakPolarHBondContact O-CG2 3.37Å; E20-T25 PolarHBondContact O-OG1 2.67Å
21K57.9Low71.3Confident212 Ų21297.1 Ų97.192%0.92248%0.481SS*.  trans-71.395.1-180-78.5-172.1175.8-174.20110
22N66.6Low71.8Confident83 Ų8394.1 Ų94.144%0.44447%0.469SS..SBendtrans-129.2169.7174.8-145-24000111E20 V24 T25 D26E20-N22 PolarHBondContact O-N 2.76Å; N22-V24 PolarHBondContact O-N 3.28Å; N22-V24 VanDerWaalsContact O-N 3.14Å; N22-T25 PolarHBondContact N-OG1 2.75Å; N22-T25 PolarHBondContact O-N 2.9Å; N22-T25 VanDerWaalsContact O-N 3.07Å; N22-T25 PolarHBondContact O-OG1 3.3Å; N22-D26 PolarHBondContact O-N 2.85Å; N22-D26 VanDerWaalsContact O-N 3.08Å
23V71.3Confident72.2Confident108 Ų10898 Ų9866%0.65548%0.484SS*.Hα-helixtrans-55.4-36.3-179-179.60000111.6D26 V27V23-D26 PolarHBondContact O-N 3.48Å; V23-V27 WeakPolarHBondContact O-CG2 3.26Å; V23-V27 PolarHBondContact O-N 3.5Å
24V67.3Low72.7Confident92 Ų9298.4 Ų98.456%0.55849%0.491SS*.Hα-helixtrans-65.2-43.7178.5-1800000112N22 D26 V27 L28N22-V24 PolarHBondContact O-N 3.28Å; N22-V24 VanDerWaalsContact O-N 3.14Å; V24-D26 VanDerWaalsContact C-N 3.31Å; V24-D26 PolarHBondContact O-N 3.38Å; V24-V27 PolarHBondContact O-N 2.91Å; V24-L28 HydrophobicContact CG1-CD1 4.26Å; V24-L28 WeakPolarHBondContact O-CB 3.4Å; V24-L28 WeakPolarHBondContact O-CD1 3.07Å; V24-L28 PolarHBondContact O-N 2.79Å
25T70.6Confident73.2Confident22 Ų2299.7 Ų99.714%0.13549%0.494CS..Hα-helixtrans-69.9-28.9176.639.80000112.7L18 E20 N22 L28 G29L18-T25 VanDerWaalsContact O-CG2 3.26Å; L18-T25 WeakPolarHBondContact O-CG2 3.33Å; E20-T25 WeakPolarHBondContact O-CG2 3.37Å; E20-T25 PolarHBondContact O-OG1 2.67Å; N22-T25 PolarHBondContact N-OG1 2.75Å; N22-T25 PolarHBondContact O-N 2.9Å; N22-T25 VanDerWaalsContact O-N 3.07Å; N22-T25 PolarHBondContact O-OG1 3.3Å; T25-L28 PolarHBondContact O-N 2.91Å; T25-G29 PolarHBondContact O-N 3.38Å
26D77.4Confident73.4Confident112 Ų112100.2 Ų100.260%0.59952%0.516SS*.Hα-helixtrans-71.8-40.3176.8-132.832.5000111N22 V23 V24 G29 K30N22-D26 PolarHBondContact O-N 2.85Å; N22-D26 VanDerWaalsContact O-N 3.08Å; V23-D26 PolarHBondContact O-N 3.48Å; V24-D26 VanDerWaalsContact C-N 3.31Å; V24-D26 PolarHBondContact O-N 3.38Å; D26-G29 PolarHBondContact O-N 3.33Å; D26-K30 PolarHBondContact O-N 3.47Å
27V77.8Confident73.6Confident77 Ų7796.1 Ų96.147%0.46751%0.506SS..Hα-helixtrans-65.6-42.8170.8172.70000111.1V23 V24 G29 K30 L31V23-V27 WeakPolarHBondContact O-CG2 3.26Å; V23-V27 PolarHBondContact O-N 3.5Å; V24-V27 PolarHBondContact O-N 2.91Å; V27-G29 VanDerWaalsContact C-N 3.32Å; V27-G29 PolarHBondContact O-N 3.5Å; V27-K30 PolarHBondContact O-N 2.7Å; V27-L31 HydrophobicContact CG1-CD1 4.07Å; V27-L31 WeakPolarHBondContact O-CB 3.24Å; V27-L31 WeakPolarHBondContact O-CG 3.25Å; V27-L31 PolarHBondContact O-N 3.15Å
28L73.9Confident74.1Confident21 Ų2197.1 Ų97.111%0.1151%0.51CS..Hα-helixtrans-64-36.9174.5-103.966.5000112.2L18 V24 T25 L31 E32 K39 A43L18-L28 HydrophobicContact CD2-CD2 3.82Å; V24-L28 HydrophobicContact CG1-CD1 4.26Å; V24-L28 WeakPolarHBondContact O-CB 3.4Å; V24-L28 WeakPolarHBondContact O-CD1 3.07Å; V24-L28 PolarHBondContact O-N 2.79Å; T25-L28 PolarHBondContact O-N 2.91Å; L28-L31 PolarHBondContact O-N 3.48Å; L28-E32 VanDerWaalsContact O-CB 3.29Å; L28-E32 WeakPolarHBondContact O-CB 3.23Å; L28-E32 PolarHBondContact O-N 3.26Å; L28-K39 HydrophobicContact CB-CB 4.3Å; L28-K39 HydrophobicContact CD2-CB 4.2Å; L28-A43 HydrophobicContact CD2-CB 3.89Å
29G75.6Confident74.4Confident28 Ų2898.2 Ų98.229%0.28951%0.513SS..Hα-helixtrans-65.4-44.8176.400000112.1T25 D26 V27 L31 E32 E33T25-G29 PolarHBondContact O-N 3.38Å; D26-G29 PolarHBondContact O-N 3.33Å; V27-G29 VanDerWaalsContact C-N 3.32Å; V27-G29 PolarHBondContact O-N 3.5Å; G29-L31 VanDerWaalsContact C-N 3.28Å; G29-L31 PolarHBondContact O-N 3.08Å; G29-E32 PolarHBondContact O-N 3.34Å; G29-E33 WeakPolarHBondContact O-CB 3.43Å; G29-E33 PolarHBondContact O-N 2.76Å
30K80Confident74.4Confident142 Ų14297.2 Ų97.262%0.61750%0.504SS*.Hα-helixtrans-63.3-33.6173.7-76.1-178.1178.2175.60113D26 V27 K34D26-K30 PolarHBondContact O-N 3.47Å; V27-K30 PolarHBondContact O-N 2.7Å; K30-K34 PolarHBondContact O-N 3.19Å
31L75.4Confident74.5Confident77 Ų7795.9 Ų95.940%0.40350%0.503SS..Hα-helixtrans-73.7-39.5174.7-75.1166.9000111.7V27 L28 G29 K34 T35 I42V27-L31 HydrophobicContact CG1-CD1 4.07Å; V27-L31 WeakPolarHBondContact O-CB 3.24Å; V27-L31 WeakPolarHBondContact O-CG 3.25Å; V27-L31 PolarHBondContact O-N 3.15Å; L28-L31 PolarHBondContact O-N 3.48Å; G29-L31 VanDerWaalsContact C-N 3.28Å; G29-L31 PolarHBondContact O-N 3.08Å; L31-K34 PolarHBondContact O-N 3.35Å; L31-T35 WeakPolarHBondContact O-CB 3.32Å; L31-T35 WeakPolarHBondContact O-CG2 3.37Å; L31-T35 PolarHBondContact O-N 2.83Å; L31-T35 PolarHBondContact O-OG1 3.45Å; L31-I42 HydrophobicContact CB-CD1 4.17Å
32E80.4Confident75.4Confident61 Ų6187.5 Ų87.529%0.28547%0.468SS..Hα-helixtrans-61.8-43.3173.7172.4165-146.200111.1L28 G29 K34 T35 G36 I37 K38 K39 I42L28-E32 VanDerWaalsContact O-CB 3.29Å; L28-E32 WeakPolarHBondContact O-CB 3.23Å; L28-E32 PolarHBondContact O-N 3.26Å; G29-E32 PolarHBondContact O-N 3.34Å; E32-K34 PolarHBondContact O-N 2.79Å; E32-T35 PolarHBondContact O-N 3.39Å; E32-G36 VanDerWaalsContact O-CA 3.28Å; E32-G36 WeakPolarHBondContact O-CA 3.38Å; E32-G36 PolarHBondContact O-N 2.72Å; E32-I37 WeakPolarHBondContact CB-O 3.44Å; E32-I37 WeakPolarHBondContact CG-O 3.41Å; E32-K38 WeakPolarHBondContact OE1-CA 3.29Å; E32-K39 PolarHBondContact OE1-N 3.19Å; E32-K39 VanDerWaalsContact OE2-CB 3.27Å; E32-K39 WeakPolarHBondContact OE2-CB 3.22Å; E32-K39 WeakPolarHBondContact OE2-CG 3.21Å; E32-I42 HydrophobicContact CB-CD1 4.48Å
33E80.4Confident75.6Confident168 Ų16884.4 Ų84.479%0.78545%0.454SS*.Hα-helixtrans-65.8-36.2178.6-165.4177.5-166.400112.5G29G29-E33 WeakPolarHBondContact O-CB 3.43Å; G29-E33 PolarHBondContact O-N 2.76Å
34K81.3Confident75.7Confident191 Ų19185.1 Ų85.183%0.8345%0.453SS*.Hα-helixtrans-80.3-33.5177.4-80.9-164.9172.2-162.90114.6K30 L31 E32K30-K34 PolarHBondContact O-N 3.19Å; L31-K34 PolarHBondContact O-N 3.35Å; E32-K34 PolarHBondContact O-N 2.79Å
35T77.7Confident76.1Confident75 Ų7582.5 Ų82.546%0.4645%0.445SS..Hα-helixtrans-99.7-17.1-174.260.80000113.1L31 E32 I37L31-T35 WeakPolarHBondContact O-CB 3.32Å; L31-T35 WeakPolarHBondContact O-CG2 3.37Å; L31-T35 PolarHBondContact O-N 2.83Å; L31-T35 PolarHBondContact O-OG1 3.45Å; E32-T35 PolarHBondContact O-N 3.39Å; T35-I37 PolarHBondContact O-N 2.89Å; T35-I37 PolarHBondContact OG1-N 3.47Å
36G75.5Confident76.2Confident71 Ų7183.8 Ų83.873%0.73246%0.458SS*.  trans69.96.4-173.800000113.9E32E32-G36 VanDerWaalsContact O-CA 3.28Å; E32-G36 WeakPolarHBondContact O-CA 3.38Å; E32-G36 PolarHBondContact O-N 2.72Å
37I78.8Confident75.9Confident85 Ų8583.5 Ų83.544%0.43646%0.46SS..  trans-98.6134.4-175.5-59.1173.3000109.5E32 T35 K39 V41 I42E32-I37 WeakPolarHBondContact CB-O 3.44Å; E32-I37 WeakPolarHBondContact CG-O 3.41Å; T35-I37 PolarHBondContact O-N 2.89Å; T35-I37 PolarHBondContact OG1-N 3.47Å; I37-K39 PolarHBondContact O-N 3.35Å; I37-V41 HydrophobicContact CG2-CB 3.87Å; I37-V41 HydrophobicContact CG2-CG1 3.95Å; I37-I42 HydrophobicContact CB-CD1 4.28Å; I37-I42 HydrophobicContact CB-CG1 4.21Å; I37-I42 HydrophobicContact CG2-CG1 4Å; I37-I42 WeakPolarHBondContact O-CD1 3.2Å
38K78.3Confident75.6Confident156 Ų15683.1 Ų83.168%0.67846%0.461SS*.  trans-52.1132.1179.4-66.5-179.8-179.1177.20111.7E32 K40 V41 I42E32-K38 WeakPolarHBondContact OE1-CA 3.29Å; K38-K40 PolarHBondContact O-N 2.89Å; K38-V41 HydrophobicContact CB-CG2 4.29Å; K38-V41 WeakPolarHBondContact O-CB 3.33Å; K38-V41 PolarHBondContact O-N 2.9Å; K38-I42 PolarHBondContact O-N 3.02Å
39K72.4Confident75.5Confident57 Ų5788.1 Ų88.125%0.24849%0.487CS..Hα-helixtrans-48-35.9176.854.9179-177.41640115.1L18 N19 L28 E32 I37 V41 I42 A43L18-K39 PolarHBondContact O-NZ 3.45Å; L18-K39 VanDerWaalsContact O-NZ 3.08Å; N19-K39 PolarHBondContact OD1-NZ 3.41Å; L28-K39 HydrophobicContact CB-CB 4.3Å; L28-K39 HydrophobicContact CD2-CB 4.2Å; E32-K39 PolarHBondContact OE1-N 3.19Å; E32-K39 VanDerWaalsContact OE2-CB 3.27Å; E32-K39 WeakPolarHBondContact OE2-CB 3.22Å; E32-K39 WeakPolarHBondContact OE2-CG 3.21Å; I37-K39 PolarHBondContact O-N 3.35Å; K39-V41 VanDerWaalsContact C-N 3.34Å; K39-V41 PolarHBondContact O-N 3.44Å; K39-I42 PolarHBondContact O-N 3.06Å; K39-A43 WeakPolarHBondContact O-CB 3.37Å; K39-A43 PolarHBondContact O-N 3.19Å
40K69.9Low75.1Confident88 Ų8890.6 Ų90.638%0.38350%0.497SS..Hα-helixtrans-61.6-39.6175.8-76.6-171.5176.7-174.60112.3E15 L18 K38 L44E15-K40 IonicContact OE1-NZ 2.8Å; E15-K40 PolarHBondContact OE1-NZ 3.49Å; E15-K40 IonicContact OE2-NZ 2.85Å; E15-K40 PolarHBondContact OE2-NZ 2.98Å; L18-K40 HydrophobicContact CD1-CG 4.29Å; K38-K40 PolarHBondContact O-N 2.89Å; K40-L44 VanDerWaalsContact O-CB 3.28Å; K40-L44 WeakPolarHBondContact O-CB 3.48Å; K40-L44 PolarHBondContact O-N 2.77Å
41V76.6Confident74.1Confident88 Ų8885.2 Ų85.253%0.53348%0.481SS..Hα-helixtrans-73.9-38.3-179-179.70000110.4I37 K38 K39 L44 G45I37-V41 HydrophobicContact CG2-CB 3.87Å; I37-V41 HydrophobicContact CG2-CG1 3.95Å; K38-V41 HydrophobicContact CB-CG2 4.29Å; K38-V41 WeakPolarHBondContact O-CB 3.33Å; K38-V41 PolarHBondContact O-N 2.9Å; K39-V41 VanDerWaalsContact C-N 3.34Å; K39-V41 PolarHBondContact O-N 3.44Å; V41-L44 PolarHBondContact O-N 3.38Å; V41-G45 PolarHBondContact O-N 3.22Å
42I76.2Confident73.7Confident35 Ų3586.5 Ų86.518%0.17949%0.488CS..Hα-helixtrans-64.1-45.4174.2-59.7177.1000110.6L31 E32 I37 K38 K39 L44 G45 A46L31-I42 HydrophobicContact CB-CD1 4.17Å; E32-I42 HydrophobicContact CB-CD1 4.48Å; I37-I42 HydrophobicContact CB-CD1 4.28Å; I37-I42 HydrophobicContact CB-CG1 4.21Å; I37-I42 HydrophobicContact CG2-CG1 4Å; I37-I42 WeakPolarHBondContact O-CD1 3.2Å; K38-I42 PolarHBondContact O-N 3.02Å; K39-I42 PolarHBondContact O-N 3.06Å; I42-L44 PolarHBondContact O-N 3.08Å; I42-G45 PolarHBondContact O-N 3.26Å; I42-A46 WeakPolarHBondContact O-CB 3.04Å; I42-A46 PolarHBondContact O-N 3.48Å
43A70.3Confident72.8Confident18 Ų1892.5 Ų92.515%0.14951%0.509CS..Hα-helixtrans-58.6-48.4174.900000111.7L18 L28 K39 G45 A46 V47L18-A43 HydrophobicContact CD1-CB 4.25Å; L18-A43 HydrophobicContact CD2-CB 3.89Å; L28-A43 HydrophobicContact CD2-CB 3.89Å; K39-A43 WeakPolarHBondContact O-CB 3.37Å; K39-A43 PolarHBondContact O-N 3.19Å; A43-G45 VanDerWaalsContact C-N 3.33Å; A43-G45 PolarHBondContact O-N 3.45Å; A43-A46 PolarHBondContact O-N 3.23Å; A43-V47 VanDerWaalsContact O-CG2 3.32Å; A43-V47 WeakPolarHBondContact O-CG2 3.34Å; A43-V47 PolarHBondContact O-N 2.87Å
44L74.2Confident71.6Confident123 Ų12386.9 Ų86.964%0.64448%0.484SS*.Hα-helixtrans-66.8-37.9-178.4-156.6128.9000111.4K40 V41 I42 S48K40-L44 VanDerWaalsContact O-CB 3.28Å; K40-L44 WeakPolarHBondContact O-CB 3.48Å; K40-L44 PolarHBondContact O-N 2.77Å; V41-L44 PolarHBondContact O-N 3.38Å; I42-L44 PolarHBondContact O-N 3.08Å; L44-S48 VanDerWaalsContact O-CB 3.25Å; L44-S48 WeakPolarHBondContact O-CB 3.31Å; L44-S48 PolarHBondContact O-N 3.15Å; L44-S48 PolarHBondContact O-OG 3.47Å
45G75.4Confident70.2Confident37 Ų3781.7 Ų81.738%0.38147%0.469SS..Hα-helixtrans-63-4617200000112.4V41 I42 A43 S48 L49V41-G45 PolarHBondContact O-N 3.22Å; I42-G45 PolarHBondContact O-N 3.26Å; A43-G45 VanDerWaalsContact C-N 3.33Å; A43-G45 PolarHBondContact O-N 3.45Å; G45-S48 PolarHBondContact O-N 3.46Å; G45-L49 VanDerWaalsContact O-CB 3.23Å; G45-L49 WeakPolarHBondContact O-CB 3.33Å; G45-L49 PolarHBondContact O-N 2.92Å
46A72.6Confident69.1Low49 Ų4988.2 Ų88.241%0.40549%0.486SS..Hα-helixtrans-66.3-39.9178.700000112.5I42 A43 L49 T50I42-A46 WeakPolarHBondContact O-CB 3.04Å; I42-A46 PolarHBondContact O-N 3.48Å; A43-A46 PolarHBondContact O-N 3.23Å; A46-L49 PolarHBondContact O-N 3.17Å; A46-T50 WeakPolarHBondContact O-CB 3.2Å; A46-T50 PolarHBondContact O-N 2.84Å; A46-T50 PolarHBondContact O-OG1 3.4Å
47V70.5Confident68.3Low107 Ų10786.7 Ų86.765%0.64847%0.47SS*.Hα-helixtrans-64.6-431731710000110.5A43 G51A43-V47 VanDerWaalsContact O-CG2 3.32Å; A43-V47 WeakPolarHBondContact O-CG2 3.34Å; A43-V47 PolarHBondContact O-N 2.87Å; V47-G51 PolarHBondContact O-N 3.29Å
48S72.2Confident66.9Low68 Ų6893.3 Ų93.348%0.47649%0.491SS..Hα-helixtrans-66.5-39.8177.7-57.70000111.7L44 G45 G51 L52L44-S48 VanDerWaalsContact O-CB 3.25Å; L44-S48 WeakPolarHBondContact O-CB 3.31Å; L44-S48 PolarHBondContact O-N 3.15Å; L44-S48 PolarHBondContact O-OG 3.47Å; G45-S48 PolarHBondContact O-N 3.46Å; S48-G51 PolarHBondContact O-N 3.27Å; S48-L52 VanDerWaalsContact O-CB 3.24Å; S48-L52 WeakPolarHBondContact O-CB 3.47Å; S48-L52 PolarHBondContact O-N 2.78Å
49L72.5Confident65.4Low126 Ų12686.7 Ų86.766%0.6647%0.467SS*.Hα-helixtrans-70.5-40.6178.4-159.486.2000111.3G45 A46 L52 Y53G45-L49 VanDerWaalsContact O-CB 3.23Å; G45-L49 WeakPolarHBondContact O-CB 3.33Å; G45-L49 PolarHBondContact O-N 2.92Å; A46-L49 PolarHBondContact O-N 3.17Å; L49-L52 PolarHBondContact O-N 3.42Å; L49-Y53 VanDerWaalsContact O-CB 3.22Å; L49-Y53 WeakPolarHBondContact O-CB 3.43Å; L49-Y53 PolarHBondContact O-N 3.35Å
50T65.9Low64.3Low81 Ų8185.9 Ų85.950%0.49747%0.471SS..Hα-helixtrans-63.4-43.8172.3-59.20000110.4A46 Y53 L54A46-T50 WeakPolarHBondContact O-CB 3.2Å; A46-T50 PolarHBondContact O-N 2.84Å; A46-T50 PolarHBondContact O-OG1 3.4Å; T50-Y53 PolarHBondContact O-N 2.94Å; T50-L54 HydrophobicContact CG2-CD1 3.94Å; T50-L54 WeakPolarHBondContact O-CB 3.21Å; T50-L54 WeakPolarHBondContact O-CD1 3.31Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 2.92Å
51G60.4Low63.4Low28 Ų2885.3 Ų85.329%0.28948%0.478SS..Hα-helixtrans-60.9-44.8173.800000111.8V47 S48 L54 V55V47-G51 PolarHBondContact O-N 3.29Å; S48-G51 PolarHBondContact O-N 3.27Å; G51-L54 PolarHBondContact O-N 2.95Å; G51-V55 WeakPolarHBondContact O-CB 3.21Å; G51-V55 WeakPolarHBondContact O-CG2 3.31Å; G51-V55 PolarHBondContact O-N 3.48Å
52L66.8Low62Low105 Ų10586.5 Ų86.555%0.5548%0.481SS..Hα-helixtrans-65.7-41.9177.6-16177.7000111.3S48 L49 V55 Y56S48-L52 VanDerWaalsContact O-CB 3.24Å; S48-L52 WeakPolarHBondContact O-CB 3.47Å; S48-L52 PolarHBondContact O-N 2.78Å; L49-L52 PolarHBondContact O-N 3.42Å; L52-V55 CarbonylContact O-C 3.57Å; L52-V55 PolarHBondContact O-N 3.34Å; L52-Y56 VanDerWaalsContact O-CB 3.29Å; L52-Y56 WeakPolarHBondContact O-CB 3.37Å; L52-Y56 PolarHBondContact O-N 2.86Å
53Y60.9Low60.8Low187 Ų18788.1 Ų88.173%0.73349%0.49SS*.Hα-helixtrans-64.3-39.5175.7178.5-100.3000112.2L49 T50 G57L49-Y53 VanDerWaalsContact O-CB 3.22Å; L49-Y53 WeakPolarHBondContact O-CB 3.43Å; L49-Y53 PolarHBondContact O-N 3.35Å; T50-Y53 PolarHBondContact O-N 2.94Å; Y53-G57 PolarHBondContact O-N 3.01Å; Y53-G57 VanDerWaalsContact O-N 3.08Å
54L54.3Low59.8Low49 Ų4989.8 Ų89.826%0.25750%0.5SS..Hα-helixtrans-65.1-39.3171.7-75.1162.9000111.4T50 G51 G59 A60 L63T50-L54 HydrophobicContact CG2-CD1 3.94Å; T50-L54 WeakPolarHBondContact O-CB 3.21Å; T50-L54 WeakPolarHBondContact O-CD1 3.31Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 2.92Å; G51-L54 PolarHBondContact O-N 2.95Å; L54-G59 CarbonylContact O-C 3.54Å; L54-A60 PolarHBondContact O-N 3.03Å; L54-L63 HydrophobicContact CD1-CD1 3.95Å; L54-L63 HydrophobicContact CD1-CD2 4.06Å
55V53.2Low58.8Low83 Ų8388.5 Ų88.550%0.50349%0.493SS..Hα-helixtrans-72.1-33.9177.6168.70000112.6G51 L52G51-V55 WeakPolarHBondContact O-CB 3.21Å; G51-V55 WeakPolarHBondContact O-CG2 3.31Å; G51-V55 PolarHBondContact O-N 3.48Å; L52-V55 CarbonylContact O-C 3.57Å; L52-V55 PolarHBondContact O-N 3.34Å
56Y54.5Low57.5Low212 Ų21291 Ų9183%0.83150%0.497SS*.Hα-helixtrans-87.2-8.1-179.6-131-93.6000113.4L52L52-Y56 VanDerWaalsContact O-CB 3.29Å; L52-Y56 WeakPolarHBondContact O-CB 3.37Å; L52-Y56 PolarHBondContact O-N 2.86Å
57G58.6Low56.5Low38 Ų3893.4 Ų93.439%0.39250%0.503SS..SBendtrans-119-173.4177.700000113.7Y53 G59 A60Y53-G57 PolarHBondContact O-N 3.01Å; Y53-G57 VanDerWaalsContact O-N 3.08Å; G57-G59 PolarHBondContact O-N 3.34Å; G57-A60 PolarHBondContact O-N 2.69Å
58Y49.9Very low55.4Low225 Ų22588.6 Ų88.688%0.88247%0.474SS*.THydrogen-bonded Turntrans-60.9-4174.5-80.2-88.3000114.5
59G45.8Very low54.3Low16 Ų1692.3 Ų92.317%0.16548%0.482CS..Hα-helixtrans-73.3-23.8-178.400000113.9L54 G57 S61 L62 L63L54-G59 CarbonylContact O-C 3.54Å; G57-G59 PolarHBondContact O-N 3.34Å; G59-S61 PolarHBondContact O-N 3.14Å; G59-L62 PolarHBondContact O-N 2.79Å; G59-L63 WeakPolarHBondContact O-CB 3.39Å; G59-L63 PolarHBondContact O-N 2.8Å
60A50.5Low53.2Low40 Ų4090.1 Ų90.133%0.33147%0.474SS..Hα-helixtrans-60.9-45.3-17900000111.3L54 G57 L62 C64L54-A60 PolarHBondContact O-N 3.03Å; G57-A60 PolarHBondContact O-N 2.69Å; A60-L62 PolarHBondContact O-N 2.85Å; A60-C64 WeakPolarHBondContact O-CB 3.34Å; A60-C64 PolarHBondContact O-N 3.07Å
61S49.3Very low52.4Low77 Ų7792.9 Ų92.954%0.53848%0.476SS..Hα-helixtrans-67.9-33.3177.4-560000112.9G59 N65G59-S61 PolarHBondContact O-N 3.14Å; S61-N65 VanDerWaalsContact O-CB 3.23Å; S61-N65 WeakPolarHBondContact O-CB 3.45Å; S61-N65 PolarHBondContact O-N 2.87Å; S61-N65 PolarHBondContact O-ND2 2.8Å
62L48Very low51.7Low112 Ų11291.5 Ų91.559%0.58646%0.462SS*.Hα-helixtrans-80.3-38.4-178.9-139.7159000111.3G59 A60 L66G59-L62 PolarHBondContact O-N 2.79Å; A60-L62 PolarHBondContact O-N 2.85Å; L62-L66 HydrophobicContact CD2-CD1 3.47Å; L62-L66 VanDerWaalsContact CD2-CD1 3.47Å; L62-L66 HydrophobicContact CD2-CG 4.23Å; L62-L66 VanDerWaalsContact O-CB 3.22Å; L62-L66 WeakPolarHBondContact O-CB 3.18Å; L62-L66 WeakPolarHBondContact O-CG 3.23Å; L62-L66 PolarHBondContact O-N 3.37Å
63L51.7Low51Low70 Ų7088.3 Ų88.337%0.36645%0.451SS..Hα-helixtrans-72.1-38.3174.6-151.983.6000111.1L54 G59 L66 I67L54-L63 HydrophobicContact CD1-CD1 3.95Å; L54-L63 HydrophobicContact CD1-CD2 4.06Å; G59-L63 WeakPolarHBondContact O-CB 3.39Å; G59-L63 PolarHBondContact O-N 2.8Å; L63-L66 PolarHBondContact O-N 2.63Å; L63-I67 HydrophobicContact CD2-CD1 4.08Å; L63-I67 HydrophobicContact CG-CD1 3.88Å; L63-I67 VanDerWaalsContact O-CB 3.22Å; L63-I67 WeakPolarHBondContact O-CB 3.23Å; L63-I67 WeakPolarHBondContact O-CG1 3.36Å; L63-I67 PolarHBondContact O-N 2.87Å
64C49.5Very low50.6Low53 Ų5386.9 Ų86.936%0.35845%0.445SS..Hα-helixtrans-70.2-37.4174.3-1650000111.5A60 G68A60-C64 WeakPolarHBondContact O-CB 3.34Å; A60-C64 PolarHBondContact O-N 3.07Å; C64-G68 WeakPolarHBondContact O-CA 3.24Å; C64-G68 PolarHBondContact O-N 2.93Å
65N51.5Low50.5Low95 Ų9589.8 Ų89.851%0.50845%0.454SS..Hα-helixtrans-68.5-42.5169.4-91-66.6000112.4S61 G68 F69S61-N65 VanDerWaalsContact O-CB 3.23Å; S61-N65 WeakPolarHBondContact O-CB 3.45Å; S61-N65 PolarHBondContact O-N 2.87Å; S61-N65 PolarHBondContact O-ND2 2.8Å; N65-G68 CarbonylContact O-C 3.51Å; N65-G68 PolarHBondContact O-N 3.08Å; N65-F69 WeakPolarHBondContact O-CA 3.35Å; N65-F69 WeakPolarHBondContact O-CB 3.43Å; N65-F69 PolarHBondContact O-N 3.44Å
66L49.8Very low50.3Low89 Ų8987.7 Ų87.747%0.46644%0.443SS..Hα-helixtrans-66.2-47.1178.9-90.7159.6000111.4L62 L63 F69 V70L62-L66 HydrophobicContact CD2-CD1 3.47Å; L62-L66 VanDerWaalsContact CD2-CD1 3.47Å; L62-L66 HydrophobicContact CD2-CG 4.23Å; L62-L66 VanDerWaalsContact O-CB 3.22Å; L62-L66 WeakPolarHBondContact O-CB 3.18Å; L62-L66 WeakPolarHBondContact O-CG 3.23Å; L62-L66 PolarHBondContact O-N 3.37Å; L63-L66 PolarHBondContact O-N 2.63Å; L66-F69 PolarHBondContact O-N 3.27Å; L66-V70 HydrophobicContact CD2-CG2 3.81Å; L66-V70 WeakPolarHBondContact O-CA 3.47Å; L66-V70 WeakPolarHBondContact O-CB 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.33Å; L66-V70 PolarHBondContact O-N 3.33Å
67I50.8Low50.4Low101 Ų10183.5 Ų83.552%0.51843%0.433SS..Hα-helixtrans-69.5-39.7176.8-63.5171.8000109.7L63 F69 Y71 P72L63-I67 HydrophobicContact CD2-CD1 4.08Å; L63-I67 HydrophobicContact CG-CD1 3.88Å; L63-I67 VanDerWaalsContact O-CB 3.22Å; L63-I67 WeakPolarHBondContact O-CB 3.23Å; L63-I67 WeakPolarHBondContact O-CG1 3.36Å; L63-I67 PolarHBondContact O-N 2.87Å; I67-F69 VanDerWaalsContact C-N 3.29Å; I67-F69 PolarHBondContact O-N 2.98Å; I67-Y71 WeakPolarHBondContact O-CB 3.5Å; I67-Y71 PolarHBondContact O-N 3.29Å; I67-P72 WeakPolarHBondContact O-CD 3.16Å
68G47Very low49.9Very low5 Ų587.2 Ų87.25%0.05244%0.438CS..Hα-helixtrans-75.2-6.4177.700000115.5C64 N65 P72C64-G68 WeakPolarHBondContact O-CA 3.24Å; C64-G68 PolarHBondContact O-N 2.93Å; N65-G68 CarbonylContact O-C 3.51Å; N65-G68 PolarHBondContact O-N 3.08Å; G68-P72 VanDerWaalsContact O-CG 3.24Å; G68-P72 WeakPolarHBondContact O-CG 3.46Å
69F49.2Very low49.6Very low147 Ų14778.3 Ų78.365%0.64541%0.411SS*.Hα-helixtrans-118.6-44.8176.4-161.6-90.3000111.7N65 L66 I67 A73N65-F69 WeakPolarHBondContact O-CA 3.35Å; N65-F69 WeakPolarHBondContact O-CB 3.43Å; N65-F69 PolarHBondContact O-N 3.44Å; L66-F69 PolarHBondContact O-N 3.27Å; I67-F69 VanDerWaalsContact C-N 3.29Å; I67-F69 PolarHBondContact O-N 2.98Å; F69-A73 WeakPolarHBondContact O-CB 3.45Å; F69-A73 PolarHBondContact O-N 3.01Å
70V49.6Very low49.7Very low79 Ų7984.6 Ų84.648%0.47944%0.44SS..Hα-helixtrans-76.2-39-177.4-179.50000111.9L66 A73 Y74L66-V70 HydrophobicContact CD2-CG2 3.81Å; L66-V70 WeakPolarHBondContact O-CA 3.47Å; L66-V70 WeakPolarHBondContact O-CB 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.33Å; L66-V70 PolarHBondContact O-N 3.33Å; V70-A73 PolarHBondContact O-N 3.4Å; V70-Y74 VanDerWaalsContact O-CB 3.25Å; V70-Y74 WeakPolarHBondContact O-CB 3.26Å; V70-Y74 PolarHBondContact O-N 3.4Å
71Y49.2Very low49.7Very low139 Ų13990.8 Ų90.855%0.54546%0.462SS..Hα-helixtrans-66.5-43.8179-162.5-92.3000112.1I67 Y75I67-Y71 WeakPolarHBondContact O-CB 3.5Å; I67-Y71 PolarHBondContact O-N 3.29Å; Y71-Y75 HydrophobicContact CE1-CD2 4.43Å; Y71-Y75 PolarHBondContact O-N 3.47Å
72P45.8Very low49.5Very low0 Ų090.6 Ų90.60%046%0.46CS..Hα-helixtrans-60.7-50.1167.2-25.734.7000114.5I67 G68 Y74 Y75 S76 W91 Y94 W95I67-P72 WeakPolarHBondContact O-CD 3.16Å; G68-P72 VanDerWaalsContact O-CG 3.24Å; G68-P72 WeakPolarHBondContact O-CG 3.46Å; P72-Y74 VanDerWaalsContact C-N 3.29Å; P72-Y74 PolarHBondContact O-N 2.94Å; P72-Y75 CarbonylContact O-C 3.57Å; P72-Y75 PolarHBondContact O-N 2.98Å; P72-Y75 VanDerWaalsContact O-N 3.12Å; P72-S76 WeakPolarHBondContact O-CB 3.23Å; P72-S76 PolarHBondContact O-N 3.3Å; P72-S76 PolarHBondContact O-OG 3.4Å; P72-S76 VanDerWaalsContact O-OG 3.13Å; P72-W91 HydrophobicContact CB-CH2 3.12Å; P72-W91 HydrophobicContact CB-CZ2 3.84Å; P72-W91 HydrophobicContact CB-CZ3 3.67Å; P72-W91 HydrophobicContact CG-CH2 3.52Å; P72-W91 HydrophobicContact CG-CZ2 4.5Å; P72-W91 HydrophobicContact CG-CZ3 4.06Å; P72-Y94 HydrophobicContact CG-CE1 4.42Å; P72-W95 HydrophobicContact CB-CH2 3.66Å; P72-W95 HydrophobicContact CB-CZ2 3.59Å; P72-W95 HydrophobicContact CG-CH2 4.02Å; P72-W95 HydrophobicContact CG-CZ2 4.34Å
73A52.3Low49.5Very low38 Ų3891.2 Ų91.231%0.31447%0.471SS..Hα-helixtrans-62.5-38.9-174.800000111.8F69 V70 S76 I77F69-A73 WeakPolarHBondContact O-CB 3.45Å; F69-A73 PolarHBondContact O-N 3.01Å; V70-A73 PolarHBondContact O-N 3.4Å; A73-S76 PolarHBondContact O-N 3.08Å; A73-I77 VanDerWaalsContact O-CG1 3.31Å; A73-I77 WeakPolarHBondContact O-CG1 3.49Å; A73-I77 PolarHBondContact O-N 3Å
74Y52.4Low49.2Very low156 Ų15692 Ų9261%0.61248%0.481SS*.Hα-helixtrans-64.6-41.3175.3-173.6-97.4000112.1V70 P72 K78V70-Y74 VanDerWaalsContact O-CB 3.25Å; V70-Y74 WeakPolarHBondContact O-CB 3.26Å; V70-Y74 PolarHBondContact O-N 3.4Å; P72-Y74 VanDerWaalsContact C-N 3.29Å; P72-Y74 PolarHBondContact O-N 2.94Å; Y74-K78 PolarHBondContact O-N 3.28Å
75Y51.3Low49.2Very low111 Ų11198.2 Ų98.244%0.43550%0.503SS..Hα-helixtrans-75.1-32.8177-105.9-86.2000113.3Y71 P72 K78 A79Y71-Y75 HydrophobicContact CE1-CD2 4.43Å; Y71-Y75 PolarHBondContact O-N 3.47Å; P72-Y75 CarbonylContact O-C 3.57Å; P72-Y75 PolarHBondContact O-N 2.98Å; P72-Y75 VanDerWaalsContact O-N 3.12Å; Y75-K78 CarbonylContact O-C 3.32Å; Y75-K78 WeakPolarHBondContact O-CB 3.48Å; Y75-K78 PolarHBondContact O-N 3.43Å; Y75-A79 VanDerWaalsContact O-CB 3.29Å; Y75-A79 WeakPolarHBondContact O-CB 3.43Å; Y75-A79 PolarHBondContact O-N 2.93Å
76S50.4Low49.2Very low39 Ų39101.3 Ų101.327%0.27351%0.514SS..Hα-helixtrans-65.7-41.2174.8-69.80000111.8P72 A73 K78 A79 I80P72-S76 WeakPolarHBondContact O-CB 3.23Å; P72-S76 PolarHBondContact O-N 3.3Å; P72-S76 PolarHBondContact O-OG 3.4Å; P72-S76 VanDerWaalsContact O-OG 3.13Å; A73-S76 PolarHBondContact O-N 3.08Å; S76-K78 VanDerWaalsContact C-N 3.27Å; S76-K78 PolarHBondContact O-N 3.03Å; S76-A79 PolarHBondContact O-N 2.84Å; S76-I80 VanDerWaalsContact O-CG1 3.3Å; S76-I80 WeakPolarHBondContact O-CG1 3.43Å; S76-I80 PolarHBondContact O-N 3.03Å
77I54.9Low49.2Very low123 Ų123101 Ų10163%0.63151%0.513SS*.Hα-helixtrans-61.7-40.4172.5-70.4170.3000110.2A73 A79A73-I77 VanDerWaalsContact O-CG1 3.31Å; A73-I77 WeakPolarHBondContact O-CG1 3.49Å; A73-I77 PolarHBondContact O-N 3Å; I77-A79 VanDerWaalsContact C-N 3.34Å
78K48.9Very low49Very low116 Ų116101.5 Ų101.550%0.50452%0.517SS..Hα-helixtrans-71.5-26.5177.7-143.3-179.1-175-171.80113.7Y74 Y75 S76Y74-K78 PolarHBondContact O-N 3.28Å; Y75-K78 CarbonylContact O-C 3.32Å; Y75-K78 WeakPolarHBondContact O-CB 3.48Å; Y75-K78 PolarHBondContact O-N 3.43Å; S76-K78 VanDerWaalsContact C-N 3.27Å; S76-K78 PolarHBondContact O-N 3.03Å
79A43Very low49.2Very low38 Ų38105.9 Ų105.931%0.31454%0.542SS..Hα-helixtrans-83.2-34.3178.300000112.4Y75 S76 I77 E81 S82Y75-A79 VanDerWaalsContact O-CB 3.29Å; Y75-A79 WeakPolarHBondContact O-CB 3.43Å; Y75-A79 PolarHBondContact O-N 2.93Å; S76-A79 PolarHBondContact O-N 2.84Å; I77-A79 VanDerWaalsContact C-N 3.34Å; A79-E81 PolarHBondContact O-N 3.22Å; A79-S82 PolarHBondContact O-N 3.47Å; A79-S82 VanDerWaalsContact O-O 3.08Å
80I47.6Very low49.2Very low149 Ų149105.3 Ų105.376%0.76454%0.539SS*.Hα-helixtrans-60.1-25.7171.7-72.7167.4000111.5S76 S82S76-I80 VanDerWaalsContact O-CG1 3.3Å; S76-I80 WeakPolarHBondContact O-CG1 3.43Å; S76-I80 PolarHBondContact O-N 3.03Å; I80-S82 VanDerWaalsContact C-N 3.35Å
81E51.1Low49.2Very low170 Ų170104.1 Ų104.179%0.79453%0.527SS*.THydrogen-bonded Turntrans-82.2-6.1175.7-128.7176-177.200113.9A79A79-E81 PolarHBondContact O-N 3.22Å
82S46.1Very low49.3Very low72 Ų72103.1 Ų103.150%0.50353%0.53SS..SBendtrans-120.2130.3-175.5-152.60000113A79 I80 C84A79-S82 PolarHBondContact O-N 3.47Å; A79-S82 VanDerWaalsContact O-O 3.08Å; I80-S82 VanDerWaalsContact C-N 3.35Å; S82-C84 VanDerWaalsContact C-N 3.33Å; S82-C84 PolarHBondContact O-N 2.9Å; S82-C84 VanDerWaalsContact O-N 3.08Å
83P47.9Very low49.7Very low125 Ų125107.1 Ų107.181%0.81255%0.554SS**  trans-8428.8-164.933.5-36.6000116.3
84C45.4Very low49.6Very low86 Ų86110.1 Ų110.158%0.58156%0.558SS**  trans-110.8114.1-172.6-680000113.9S82 E86S82-C84 VanDerWaalsContact C-N 3.33Å; S82-C84 PolarHBondContact O-N 2.9Å; S82-C84 VanDerWaalsContact O-N 3.08Å; C84-E86 VanDerWaalsContact C-N 3.32Å; C84-E86 PolarHBondContact O-N 3.45Å
85K49.8Very low49.8Very low185 Ų185107.3 Ų107.380%0.80455%0.547SS*.THydrogen-bonded Turntrans-72.8-1.2-175.1-78.2178.3173164.90117.1
86E50.1Low50.1Low160 Ų160106.3 Ų106.375%0.74855%0.552SS**THydrogen-bonded Turntrans-90.3-6.4-177-69.6-169.9130.800114.3C84C84-E86 VanDerWaalsContact C-N 3.32Å; C84-E86 PolarHBondContact O-N 3.45Å
87D49.3Very low50.4Low83 Ų83109 Ų10944%0.44457%0.566SS.*SBendtrans-88.5-21.2-180-80.1-27.1000113.2T89 K90 W91D87-T89 PolarHBondContact O-N 3.3Å; D87-K90 PolarHBondContact O-N 2.93Å; D87-K90 IonicContact OD1-NZ 3.88Å; D87-W91 PolarHBondContact O-N 3.2Å; D87-W91 VanDerWaalsContact O-N 3.1Å
88D47.3Very low50.5Low111 Ų111105.2 Ų105.259%0.59454%0.544SS*.Hα-helixtrans-63-42.1-177.2-64.4-37.9000112.5K90 W91 L92D88-K90 PolarHBondContact O-N 3.45Å; D88-W91 PolarHBondContact O-N 3.28Å; D88-L92 WeakPolarHBondContact O-CB 3.35Å; D88-L92 PolarHBondContact O-N 2.91Å
89T51.7Low50.8Low96 Ų96101.2 Ų101.259%0.58954%0.536SS*.Hα-helixtrans-70.4-34-177.6-39.10000112.3D87 T93D87-T89 PolarHBondContact O-N 3.3Å; T89-T93 WeakPolarHBondContact O-CB 3.45Å; T89-T93 PolarHBondContact O-N 3.06Å; T89-T93 PolarHBondContact O-OG1 3.15Å
90K48.4Very low51.4Low135 Ų135104.3 Ų104.359%0.58755%0.551SS**Hα-helixtrans-70.1-40.4176.7-66.8174.3-169.4134.20110.5D87 D88 Y94D87-K90 PolarHBondContact O-N 2.93Å; D87-K90 IonicContact OD1-NZ 3.88Å; D88-K90 PolarHBondContact O-N 3.45Å; K90-Y94 PolarHBondContact O-N 3.39Å
91W51.1Low51.9Low55 Ų5599.8 Ų99.821%0.20853%0.526CS..Hα-helixtrans-64.6-45.8173.9-110.5117.5000112.2P72 D87 D88 T93 Y94 W95P72-W91 HydrophobicContact CB-CH2 3.12Å; P72-W91 HydrophobicContact CB-CZ2 3.84Å; P72-W91 HydrophobicContact CB-CZ3 3.67Å; P72-W91 HydrophobicContact CG-CH2 3.52Å; P72-W91 HydrophobicContact CG-CZ2 4.5Å; P72-W91 HydrophobicContact CG-CZ3 4.06Å; D87-W91 PolarHBondContact O-N 3.2Å; D87-W91 VanDerWaalsContact O-N 3.1Å; D88-W91 PolarHBondContact O-N 3.28Å; W91-T93 VanDerWaalsContact C-N 3.33Å; W91-T93 PolarHBondContact O-N 2.84Å; W91-Y94 AromaticContact CE3-CD1 3.73Å; W91-Y94 HydrophobicContact CE3-CD1 3.73Å; W91-Y94 HydrophobicContact CE3-CE1 4.43Å; W91-Y94 HydrophobicContact CE3-CG 4.42Å; W91-Y94 AromaticContact CH2-CD1 3.91Å; W91-Y94 HydrophobicContact CH2-CD1 3.91Å; W91-Y94 AromaticContact CH2-CE1 3.87Å; W91-Y94 HydrophobicContact CH2-CE1 3.87Å; W91-Y94 AromaticContact CZ3-CD1 3.19Å; W91-Y94 HydrophobicContact CZ3-CD1 3.19Å; W91-Y94 AromaticContact CZ3-CE1 3.48Å; W91-Y94 HydrophobicContact CZ3-CE1 3.48Å; W91-Y94 VanDerWaalsContact CZ3-CE1 3.48Å; W91-Y94 HydrophobicContact CZ3-CG 4.16Å; W91-Y94 WeakPolarHBondContact O-CB 3.38Å; W91-Y94 PolarHBondContact O-N 2.84Å; W91-W95 AromaticContact CD2-NE1 3.88Å; W91-W95 AromaticContact CE3-CD1 3.41Å; W91-W95 VanDerWaalsContact CE3-CD1 3.41Å; W91-W95 HydrophobicContact CE3-CD2 4.17Å; W91-W95 AromaticContact CE3-CE2 3.52Å; W91-W95 HydrophobicContact CE3-CG 4.09Å; W91-W95 HydrophobicContact CE3-CZ2 4.12Å; W91-W95 AromaticContact CE3-NE1 2.99Å; W91-W95 HydrophobicContact CH2-CZ2 4.36Å; W91-W95 HydrophobicContact CZ3-CD2 4.03Å; W91-W95 AromaticContact CZ3-CE2 3.39Å; W91-W95 HydrophobicContact CZ3-CG 4.38Å; W91-W95 HydrophobicContact CZ3-CH2 4.41Å; W91-W95 AromaticContact CZ3-CZ2 3.61Å; W91-W95 HydrophobicContact CZ3-CZ2 3.61Å; W91-W95 AromaticContact CZ3-NE1 3.42Å; W91-W95 PolarHBondContact O-N 3.48Å
92L50.8Low52Low118 Ų11893.6 Ų93.662%0.61850%0.502SS*.Hα-helixtrans-62.4-41.4178.7-157.581.4000111.7D88 Y94 W95 V96D88-L92 WeakPolarHBondContact O-CB 3.35Å; D88-L92 PolarHBondContact O-N 2.91Å; L92-Y94 VanDerWaalsContact C-N 3.32Å; L92-Y94 PolarHBondContact O-N 2.69Å; L92-W95 PolarHBondContact O-N 2.94Å; L92-V96 VanDerWaalsContact O-CG2 3.32Å; L92-V96 WeakPolarHBondContact O-CG2 3.44Å; L92-V96 PolarHBondContact O-N 2.91Å
93T54.1Low52.5Low83 Ų8395.9 Ų95.951%0.50951%0.507SS..Hα-helixtrans-62.5-41.7176-550000111T89 W91 V96 V97T89-T93 WeakPolarHBondContact O-CB 3.45Å; T89-T93 PolarHBondContact O-N 3.06Å; T89-T93 PolarHBondContact O-OG1 3.15Å; W91-T93 VanDerWaalsContact C-N 3.33Å; W91-T93 PolarHBondContact O-N 2.84Å; T93-V96 PolarHBondContact O-N 2.73Å; T93-V97 VanDerWaalsContact O-CG2 3.3Å; T93-V97 WeakPolarHBondContact O-CG2 3.41Å; T93-V97 PolarHBondContact O-N 2.94Å
94Y50.9Low52.9Low102 Ų10291.6 Ų91.640%0.449%0.486SS..Hα-helixtrans-62.2-45173.8173.4-86.5000111.9P72 K90 W91 L92 V96 V97 Y98P72-Y94 HydrophobicContact CG-CE1 4.42Å; K90-Y94 PolarHBondContact O-N 3.39Å; W91-Y94 AromaticContact CE3-CD1 3.73Å; W91-Y94 HydrophobicContact CE3-CD1 3.73Å; W91-Y94 HydrophobicContact CE3-CE1 4.43Å; W91-Y94 HydrophobicContact CE3-CG 4.42Å; W91-Y94 AromaticContact CH2-CD1 3.91Å; W91-Y94 HydrophobicContact CH2-CD1 3.91Å; W91-Y94 AromaticContact CH2-CE1 3.87Å; W91-Y94 HydrophobicContact CH2-CE1 3.87Å; W91-Y94 AromaticContact CZ3-CD1 3.19Å; W91-Y94 HydrophobicContact CZ3-CD1 3.19Å; W91-Y94 AromaticContact CZ3-CE1 3.48Å; W91-Y94 HydrophobicContact CZ3-CE1 3.48Å; W91-Y94 VanDerWaalsContact CZ3-CE1 3.48Å; W91-Y94 HydrophobicContact CZ3-CG 4.16Å; W91-Y94 WeakPolarHBondContact O-CB 3.38Å; W91-Y94 PolarHBondContact O-N 2.84Å; L92-Y94 VanDerWaalsContact C-N 3.32Å; L92-Y94 PolarHBondContact O-N 2.69Å; Y94-V96 VanDerWaalsContact C-N 3.33Å; Y94-V96 PolarHBondContact O-N 3.44Å; Y94-V97 PolarHBondContact O-N 3.44Å; Y94-Y98 WeakPolarHBondContact O-CB 3.2Å; Y94-Y98 PolarHBondContact O-N 3.48Å
95W55.3Low53.4Low97 Ų9790 Ų9037%0.36747%0.47SS..Hα-helixtrans-61.2-39.3177.8-77.2121000112.8P72 W91 L92 Y98 G99P72-W95 HydrophobicContact CB-CH2 3.66Å; P72-W95 HydrophobicContact CB-CZ2 3.59Å; P72-W95 HydrophobicContact CG-CH2 4.02Å; P72-W95 HydrophobicContact CG-CZ2 4.34Å; W91-W95 AromaticContact CD2-NE1 3.88Å; W91-W95 AromaticContact CE3-CD1 3.41Å; W91-W95 VanDerWaalsContact CE3-CD1 3.41Å; W91-W95 HydrophobicContact CE3-CD2 4.17Å; W91-W95 AromaticContact CE3-CE2 3.52Å; W91-W95 HydrophobicContact CE3-CG 4.09Å; W91-W95 HydrophobicContact CE3-CZ2 4.12Å; W91-W95 AromaticContact CE3-NE1 2.99Å; W91-W95 HydrophobicContact CH2-CZ2 4.36Å; W91-W95 HydrophobicContact CZ3-CD2 4.03Å; W91-W95 AromaticContact CZ3-CE2 3.39Å; W91-W95 HydrophobicContact CZ3-CG 4.38Å; W91-W95 HydrophobicContact CZ3-CH2 4.41Å; W91-W95 AromaticContact CZ3-CZ2 3.61Å; W91-W95 HydrophobicContact CZ3-CZ2 3.61Å; W91-W95 AromaticContact CZ3-NE1 3.42Å; W91-W95 PolarHBondContact O-N 3.48Å; L92-W95 PolarHBondContact O-N 2.94Å; W95-Y98 HydrophobicContact CE3-CD1 4.39Å; W95-Y98 HydrophobicContact CZ3-CD1 4.42Å; W95-Y98 PolarHBondContact O-N 3.5Å; W95-G99 PolarHBondContact O-N 3.21Å
96V57.8Low53.6Low90 Ų9088.4 Ų88.455%0.54546%0.463SS..Hα-helixtrans-67-44.4176.71720000111L92 T93 Y94 Y98 G99 V100L92-V96 VanDerWaalsContact O-CG2 3.32Å; L92-V96 WeakPolarHBondContact O-CG2 3.44Å; L92-V96 PolarHBondContact O-N 2.91Å; T93-V96 PolarHBondContact O-N 2.73Å; Y94-V96 VanDerWaalsContact C-N 3.33Å; Y94-V96 PolarHBondContact O-N 3.44Å; V96-Y98 VanDerWaalsContact C-N 3.31Å; V96-Y98 PolarHBondContact O-N 2.77Å; V96-G99 PolarHBondContact O-N 3.06Å; V96-V100 WeakPolarHBondContact O-CG2 3.42Å; V96-V100 PolarHBondContact O-N 3.21Å
97V57.1Low53.6Low95 Ų9586.6 Ų86.658%0.57645%0.453SS*.Hα-helixtrans-63-40.6176.31730000110.9T93 Y94 F101T93-V97 VanDerWaalsContact O-CG2 3.3Å; T93-V97 WeakPolarHBondContact O-CG2 3.41Å; T93-V97 PolarHBondContact O-N 2.94Å; Y94-V97 PolarHBondContact O-N 3.44Å; V97-F101 VanDerWaalsContact O-CB 3.28Å; V97-F101 WeakPolarHBondContact O-CB 3.18Å; V97-F101 PolarHBondContact O-N 2.83Å
98Y56.8Low53.6Low43 Ų4384.9 Ų84.917%0.16945%0.447CS..Hα-helixtrans-63.6-44.9176.3-176.1-100.8000112.2Y94 W95 V96 F101 S102Y94-Y98 WeakPolarHBondContact O-CB 3.2Å; Y94-Y98 PolarHBondContact O-N 3.48Å; W95-Y98 HydrophobicContact CE3-CD1 4.39Å; W95-Y98 HydrophobicContact CZ3-CD1 4.42Å; W95-Y98 PolarHBondContact O-N 3.5Å; V96-Y98 VanDerWaalsContact C-N 3.31Å; V96-Y98 PolarHBondContact O-N 2.77Å; Y98-F101 PolarHBondContact O-N 3.19Å; Y98-S102 PolarHBondContact O-N 3.3Å; Y98-S102 PolarHBondContact O-OG 3.17Å
99G55.9Low53.6Low32 Ų3282.7 Ų82.733%0.3344%0.436SS..Hα-helixtrans-63.6-43.2178.300000113.3W95 V96 F101 S102 L103W95-G99 PolarHBondContact O-N 3.21Å; V96-G99 PolarHBondContact O-N 3.06Å; G99-F101 VanDerWaalsContact C-N 3.31Å; G99-F101 PolarHBondContact O-N 3.43Å; G99-S102 PolarHBondContact O-N 2.79Å; G99-L103 PolarHBondContact O-N 3.03Å
100V55.3Low53.8Low104 Ų10483.8 Ų83.863%0.6344%0.437SS*.Hα-helixtrans-65.1-38.1176.4173.80000111.1V96 G104V96-V100 WeakPolarHBondContact O-CG2 3.42Å; V96-V100 PolarHBondContact O-N 3.21Å; V100-G104 PolarHBondContact O-N 3.08Å
101F57.1Low53.8Low53 Ų5384.4 Ų84.423%0.23244%0.44CS..Hα-helixtrans-65.1-48175.9-176.5-95.5000112V97 Y98 G99 L103 G104 E105 L126V97-F101 VanDerWaalsContact O-CB 3.28Å; V97-F101 WeakPolarHBondContact O-CB 3.18Å; V97-F101 PolarHBondContact O-N 2.83Å; Y98-F101 PolarHBondContact O-N 3.19Å; G99-F101 VanDerWaalsContact C-N 3.31Å; G99-F101 PolarHBondContact O-N 3.43Å; F101-L103 VanDerWaalsContact C-N 3.33Å; F101-L103 PolarHBondContact O-N 3.24Å; F101-G104 WeakPolarHBondContact O-CA 3.18Å; F101-G104 PolarHBondContact O-N 3.01Å; F101-G104 VanDerWaalsContact O-N 3.09Å; F101-E105 HydrophobicContact CD1-CG 4.27Å; F101-E105 VanDerWaalsContact CE1-CD 3.42Å; F101-E105 HydrophobicContact CE1-CG 3.98Å; F101-E105 HydrophobicContact CZ-CG 4.36Å; F101-E105 PolarHBondContact O-N 3.04Å; F101-L126 HydrophobicContact CD2-CD2 4.44Å; F101-L126 HydrophobicContact CE1-CD2 4.44Å; F101-L126 HydrophobicContact CE2-CD2 3.42Å; F101-L126 VanDerWaalsContact CE2-CD2 3.42Å; F101-L126 HydrophobicContact CZ-CD2 3.44Å; F101-L126 VanDerWaalsContact CZ-CD2 3.44Å
102S54.5Low53.8Low41 Ų4185.8 Ų85.829%0.28745%0.451SS..Hα-helixtrans-61-38.1176.4-74.60000113.1Y98 G99 E105 F106Y98-S102 PolarHBondContact O-N 3.3Å; Y98-S102 PolarHBondContact O-OG 3.17Å; G99-S102 PolarHBondContact O-N 2.79Å; S102-E105 PolarHBondContact O-N 3.28Å; S102-F106 PolarHBondContact O-N 3.04Å; S102-F106 VanDerWaalsContact O-N 3.08Å
103L56.7Low54Low119 Ų11988.7 Ų88.762%0.62346%0.455SS*.Hα-helixtrans-64.4-41.2173.2-105.777.8000111.9G99 F101 E105 F106 F107G99-L103 PolarHBondContact O-N 3.03Å; F101-L103 VanDerWaalsContact C-N 3.33Å; F101-L103 PolarHBondContact O-N 3.24Å; L103-E105 VanDerWaalsContact C-N 3.35Å; L103-F106 PolarHBondContact O-N 3.38Å; L103-F107 PolarHBondContact O-N 3.09Å
104G56.2Low53.9Low35 Ų3595.8 Ų95.836%0.36147%0.472SS..Hα-helixtrans-63.5-38.9176.800000112.8V100 F101 S108V100-G104 PolarHBondContact O-N 3.08Å; F101-G104 WeakPolarHBondContact O-CA 3.18Å; F101-G104 PolarHBondContact O-N 3.01Å; F101-G104 VanDerWaalsContact O-N 3.09Å; G104-S108 WeakPolarHBondContact O-CB 3.3Å; G104-S108 PolarHBondContact O-N 3.39Å; G104-S108 PolarHBondContact O-OG 3.47Å
105E55.5Low53.7Low53 Ų5397.1 Ų97.125%0.24848%0.481CS..Hα-helixtrans-64-43.8173.8-73.8-167.5128.700111.9F101 S102 L103 F107 S108 D109 L126F101-E105 HydrophobicContact CD1-CG 4.27Å; F101-E105 VanDerWaalsContact CE1-CD 3.42Å; F101-E105 HydrophobicContact CE1-CG 3.98Å; F101-E105 HydrophobicContact CZ-CG 4.36Å; F101-E105 PolarHBondContact O-N 3.04Å; S102-E105 PolarHBondContact O-N 3.28Å; L103-E105 VanDerWaalsContact C-N 3.35Å; E105-F107 PolarHBondContact O-N 3.11Å; E105-S108 PolarHBondContact O-N 3.05Å; E105-S108 VanDerWaalsContact O-N 3.15Å; E105-D109 PolarHBondContact O-N 2.9Å; E105-L126 HydrophobicContact CG-CD2 4.16Å
106F53.3Low53.4Low152 Ų15298 Ų9867%0.66750%0.499SS*.Hα-helixtrans-62.7-43.4179.5-155.4-93.9000112.1S102 L103 I110S102-F106 PolarHBondContact O-N 3.04Å; S102-F106 VanDerWaalsContact O-N 3.08Å; L103-F106 PolarHBondContact O-N 3.38Å; F106-I110 PolarHBondContact O-N 3.43Å
107F50.8Low53Low122 Ų122101.3 Ų101.354%0.53551%0.506SS..Hα-helixtrans-64.2-41.6172.7-100.7-102.2000111.8L103 E105 D109 I110 F111L103-F107 PolarHBondContact O-N 3.09Å; E105-F107 PolarHBondContact O-N 3.11Å; F107-D109 VanDerWaalsContact C-N 3.34Å; F107-D109 PolarHBondContact O-N 2.9Å; F107-I110 WeakPolarHBondContact O-CG2 3.46Å; F107-I110 PolarHBondContact O-N 2.91Å; F107-F111 AromaticContact CD1-CD2 3.78Å; F107-F111 HydrophobicContact CD1-CD2 3.78Å; F107-F111 AromaticContact CD1-CE2 3.34Å; F107-F111 HydrophobicContact CD1-CE2 3.34Å; F107-F111 HydrophobicContact CD1-CZ 4.45Å; F107-F111 HydrophobicContact CE1-CD2 4.45Å; F107-F111 AromaticContact CE1-CE2 3.57Å; F107-F111 HydrophobicContact CE1-CE2 3.57Å; F107-F111 HydrophobicContact CE1-CZ 4.36Å; F107-F111 HydrophobicContact CG-CE2 4.39Å; F107-F111 VanDerWaalsContact O-CD2 3.3Å; F107-F111 WeakPolarHBondContact O-CD2 3.5Å; F107-F111 PolarHBondContact O-N 3.29Å
108S48Very low52.8Low46 Ų4698.1 Ų98.132%0.32248%0.484SS..Hα-helixtrans-66.8-33.8-178.1-67.10000112.4G104 E105 Y118G104-S108 WeakPolarHBondContact O-CB 3.3Å; G104-S108 PolarHBondContact O-N 3.39Å; G104-S108 PolarHBondContact O-OG 3.47Å; E105-S108 PolarHBondContact O-N 3.05Å; E105-S108 VanDerWaalsContact O-N 3.15Å; S108-Y118 WeakPolarHBondContact CA-OH 3.38Å; S108-Y118 VanDerWaalsContact CB-OH 3.23Å; S108-Y118 WeakPolarHBondContact CB-OH 3.24Å; S108-Y118 PolarHBondContact O-OH 3.46Å
109D49.1Very low52.4Low66 Ų66101.9 Ų101.935%0.35350%0.499SS..Hα-helixtrans-72.8-35.4171.6-83-43.8000112.9E105 F107 K122E105-D109 PolarHBondContact O-N 2.9Å; F107-D109 VanDerWaalsContact C-N 3.34Å; F107-D109 PolarHBondContact O-N 2.9Å; D109-K122 IonicContact OD1-NZ 2.69Å; D109-K122 PolarHBondContact OD1-NZ 2.79Å; D109-K122 IonicContact OD2-NZ 2.84Å; D109-K122 PolarHBondContact OD2-NZ 2.97Å
110I54.1Low52.2Low118 Ų118103.5 Ų103.561%0.60551%0.509SS*.Hα-helixtrans-69.9-37-179.4-132.583000112.6F106 F107F106-I110 PolarHBondContact O-N 3.43Å; F107-I110 WeakPolarHBondContact O-CG2 3.46Å; F107-I110 PolarHBondContact O-N 2.91Å
111F49.6Very low52Low149 Ų149105.4 Ų105.465%0.65451%0.509SS*.Hα-helixtrans-89.2-23.8-172.5-83-79.9000114.8F107F107-F111 AromaticContact CD1-CD2 3.78Å; F107-F111 HydrophobicContact CD1-CD2 3.78Å; F107-F111 AromaticContact CD1-CE2 3.34Å; F107-F111 HydrophobicContact CD1-CE2 3.34Å; F107-F111 HydrophobicContact CD1-CZ 4.45Å; F107-F111 HydrophobicContact CE1-CD2 4.45Å; F107-F111 AromaticContact CE1-CE2 3.57Å; F107-F111 HydrophobicContact CE1-CE2 3.57Å; F107-F111 HydrophobicContact CE1-CZ 4.36Å; F107-F111 HydrophobicContact CG-CE2 4.39Å; F107-F111 VanDerWaalsContact O-CD2 3.3Å; F107-F111 WeakPolarHBondContact O-CD2 3.5Å; F107-F111 PolarHBondContact O-N 3.29Å
112L51.9Low51.8Low83 Ų83104 Ų10444%0.43550%0.503SS..Hα-helixtrans-129.19.6-164.4-72.1164.2000115.1W114 F115 Y118L112-W114 PolarHBondContact O-N 3.48Å; L112-F115 PolarHBondContact O-N 2.76Å; L112-Y118 HydrophobicContact CB-CD1 3.91Å; L112-Y118 HydrophobicContact CB-CD2 3.86Å; L112-Y118 HydrophobicContact CB-CE1 3.53Å; L112-Y118 HydrophobicContact CB-CE2 3.54Å; L112-Y118 HydrophobicContact CB-CG 4.03Å; L112-Y118 HydrophobicContact CD1-CD2 4Å; L112-Y118 HydrophobicContact CD1-CE2 3.29Å; L112-Y118 HydrophobicContact CG-CD2 4.39Å; L112-Y118 HydrophobicContact CG-CE2 3.97Å; L112-Y118 WeakPolarHBondContact O-CD1 3.37Å
113Y54Low51.6Low179 Ų179104.9 Ų104.970%0.70251%0.508SS*.THydrogen-bonded Turntrans-49.9-24.3175.6163.5-103000115
114W52.6Low51.7Low233 Ų233104.8 Ų104.888%0.88351%0.508SS*.THydrogen-bonded Turntrans-79.6-16.5-174.5-177.8-89.1000115.2L112L112-W114 PolarHBondContact O-N 3.48Å
115F46Very low51.7Low130 Ų130107.9 Ų107.957%0.5751%0.511SS*.  trans-104.9122.9-166.5-148.3-92.4000114L112 F117 Y118L112-F115 PolarHBondContact O-N 2.76Å; F115-F117 HydrophobicContact CD1-CB 4.38Å; F115-F117 HydrophobicContact CE1-CB 4.35Å; F115-F117 PolarHBondContact O-N 3.46Å; F115-Y118 WeakPolarHBondContact O-CB 3.3Å; F115-Y118 PolarHBondContact O-N 2.81Å
116P48.8Very low51.7Low116 Ų116107.2 Ų107.275%0.75351%0.509SS*.THydrogen-bonded Turntrans-74.9-20.4-169.225.3-32.9000116Y118P116-Y118 VanDerWaalsContact C-N 3.35Å
117F49.7Very low52Low159 Ų159106 Ų10670%0.69751%0.509SS*.THydrogen-bonded Turntrans-90.71.9172.9-108.6-91000113.5F115F115-F117 HydrophobicContact CD1-CB 4.38Å; F115-F117 HydrophobicContact CE1-CB 4.35Å; F115-F117 PolarHBondContact O-N 3.46Å
118Y53.3Low52.4Low27 Ų27105.4 Ų105.411%0.10650%0.503CS..Hα-helixtrans-70.2-43.4-172.4172.5-122000113.2S108 L112 F115 P116 A120 F121 K122S108-Y118 WeakPolarHBondContact CA-OH 3.38Å; S108-Y118 VanDerWaalsContact CB-OH 3.23Å; S108-Y118 WeakPolarHBondContact CB-OH 3.24Å; S108-Y118 PolarHBondContact O-OH 3.46Å; L112-Y118 HydrophobicContact CB-CD1 3.91Å; L112-Y118 HydrophobicContact CB-CD2 3.86Å; L112-Y118 HydrophobicContact CB-CE1 3.53Å; L112-Y118 HydrophobicContact CB-CE2 3.54Å; L112-Y118 HydrophobicContact CB-CG 4.03Å; L112-Y118 HydrophobicContact CD1-CD2 4Å; L112-Y118 HydrophobicContact CD1-CE2 3.29Å; L112-Y118 HydrophobicContact CG-CD2 4.39Å; L112-Y118 HydrophobicContact CG-CE2 3.97Å; L112-Y118 WeakPolarHBondContact O-CD1 3.37Å; F115-Y118 WeakPolarHBondContact O-CB 3.3Å; F115-Y118 PolarHBondContact O-N 2.81Å; P116-Y118 VanDerWaalsContact C-N 3.35Å; Y118-A120 VanDerWaalsContact C-N 3.29Å; Y118-A120 PolarHBondContact O-N 3.33Å; Y118-F121 CarbonylContact O-C 3.58Å; Y118-F121 PolarHBondContact O-N 3.08Å; Y118-F121 VanDerWaalsContact O-N 3.15Å; Y118-K122 HydrophobicContact CD1-CD 4.44Å; Y118-K122 HydrophobicContact CD2-CB 4.33Å; Y118-K122 HydrophobicContact CE1-CB 4.39Å; Y118-K122 HydrophobicContact CE1-CD 3.67Å; Y118-K122 HydrophobicContact CE2-CB 3.99Å; Y118-K122 HydrophobicContact CE2-CD 4.49Å; Y118-K122 WeakPolarHBondContact O-CB 3.49Å; Y118-K122 PolarHBondContact O-N 2.92Å
119Y48.1Very low52.6Low122 Ų122104.6 Ų104.648%0.47850%0.497SS..Hα-helixtrans-60.6-36.3-174.8-73.1-81.9000113.2C123Y119-C123 WeakPolarHBondContact O-CB 3.28Å; Y119-C123 PolarHBondContact O-N 2.74Å; Y119-C123 PolarHBondContact O-SG 3.05Å; Y119-C123 VanDerWaalsContact O-SG 3.34Å
120A51.6Low52.5Low66 Ų66108.3 Ų108.355%0.54551%0.514SS..Hα-helixtrans-69.1-43.5176.100000112.3Y118 L124Y118-A120 VanDerWaalsContact C-N 3.29Å; Y118-A120 PolarHBondContact O-N 3.33Å; A120-L124 WeakPolarHBondContact O-CB 3.01Å; A120-L124 PolarHBondContact O-N 3.05Å
121F51.1Low52.2Low145 Ų145104.4 Ų104.464%0.63650%0.5SS*.Hα-helixtrans-68.7-36.6174.5-109.9-84.2000112Y118 L124 F125Y118-F121 CarbonylContact O-C 3.58Å; Y118-F121 PolarHBondContact O-N 3.08Å; Y118-F121 VanDerWaalsContact O-N 3.15Å; F121-L124 PolarHBondContact O-N 3.43Å; F121-F125 WeakPolarHBondContact O-CB 3.26Å; F121-F125 PolarHBondContact O-N 3.23Å
122K53.2Low51.8Low24 Ų24103.6 Ų103.610%0.10451%0.509CS..Hα-helixtrans-60.8-49.1173.7173.7173.3176.3162.30110.2D109 Y118 F125 L126D109-K122 IonicContact OD1-NZ 2.69Å; D109-K122 PolarHBondContact OD1-NZ 2.79Å; D109-K122 IonicContact OD2-NZ 2.84Å; D109-K122 PolarHBondContact OD2-NZ 2.97Å; Y118-K122 HydrophobicContact CD1-CD 4.44Å; Y118-K122 HydrophobicContact CD2-CB 4.33Å; Y118-K122 HydrophobicContact CE1-CB 4.39Å; Y118-K122 HydrophobicContact CE1-CD 3.67Å; Y118-K122 HydrophobicContact CE2-CB 3.99Å; Y118-K122 HydrophobicContact CE2-CD 4.49Å; Y118-K122 WeakPolarHBondContact O-CB 3.49Å; Y118-K122 PolarHBondContact O-N 2.92Å; K122-F125 PolarHBondContact O-N 3.19Å; K122-L126 HydrophobicContact CG-CD1 3.69Å; K122-L126 HydrophobicContact CG-CG 4.4Å; K122-L126 VanDerWaalsContact O-CB 3.23Å; K122-L126 WeakPolarHBondContact O-CB 3.35Å; K122-L126 WeakPolarHBondContact O-CD1 3Å; K122-L126 WeakPolarHBondContact O-CG 3.18Å; K122-L126 PolarHBondContact O-N 3.07Å
123C50.4Low51.2Low58 Ų58105.9 Ų105.939%0.39252%0.52SS..Hα-helixtrans-61.1-45.6175.1-75.40000111.8Y119 F125 L126 L127Y119-C123 WeakPolarHBondContact O-CB 3.28Å; Y119-C123 PolarHBondContact O-N 2.74Å; Y119-C123 PolarHBondContact O-SG 3.05Å; Y119-C123 VanDerWaalsContact O-SG 3.34Å; C123-F125 PolarHBondContact O-N 3.46Å; C123-L126 PolarHBondContact O-N 3.05Å; C123-L127 WeakPolarHBondContact O-CB 3.19Å; C123-L127 PolarHBondContact O-N 3.36Å
124L58.6Low50.7Low118 Ų118103.2 Ų103.262%0.61853%0.527SS*.Hα-helixtrans-66.2-37.9-179.9-16470.3000112.3A120 F121 W128A120-L124 WeakPolarHBondContact O-CB 3.01Å; A120-L124 PolarHBondContact O-N 3.05Å; F121-L124 PolarHBondContact O-N 3.43Å; L124-W128 WeakPolarHBondContact O-CB 3.22Å; L124-W128 PolarHBondContact O-N 2.87Å
125F55.8Low50.4Low99 Ų99101.5 Ų101.543%0.43452%0.52SS..Hα-helixtrans-72-38.9176.6-171.4-99.6000112.2F121 K122 C123 W128 C129 I141F121-F125 WeakPolarHBondContact O-CB 3.26Å; F121-F125 PolarHBondContact O-N 3.23Å; K122-F125 PolarHBondContact O-N 3.19Å; C123-F125 PolarHBondContact O-N 3.46Å; F125-W128 AromaticContact CD2-CE3 3.94Å; F125-W128 HydrophobicContact CD2-CE3 3.94Å; F125-W128 HydrophobicContact CD2-CZ3 4.25Å; F125-W128 HydrophobicContact CE2-CE3 4.04Å; F125-W128 AromaticContact CE2-CZ3 3.91Å; F125-W128 HydrophobicContact CE2-CZ3 3.91Å; F125-W128 PolarHBondContact O-N 2.91Å; F125-C129 WeakPolarHBondContact O-CB 3.23Å; F125-C129 PolarHBondContact O-N 3.44Å; F125-I141 HydrophobicContact CE1-CD1 3.81Å; F125-I141 HydrophobicContact CE2-CD1 3.96Å; F125-I141 HydrophobicContact CZ-CD1 3.18Å; F125-I141 HydrophobicContact CZ-CG1 4.1Å
126L56.4Low50.8Low39 Ų3998.3 Ų98.320%0.20451%0.509CS..Hα-helixtrans-63.8-44171.5-76.4164.9000110.7F101 E105 K122 C123 W128 C129 M130F101-L126 HydrophobicContact CD2-CD2 4.44Å; F101-L126 HydrophobicContact CE1-CD2 4.44Å; F101-L126 HydrophobicContact CE2-CD2 3.42Å; F101-L126 VanDerWaalsContact CE2-CD2 3.42Å; F101-L126 HydrophobicContact CZ-CD2 3.44Å; F101-L126 VanDerWaalsContact CZ-CD2 3.44Å; E105-L126 HydrophobicContact CG-CD2 4.16Å; K122-L126 HydrophobicContact CG-CD1 3.69Å; K122-L126 HydrophobicContact CG-CG 4.4Å; K122-L126 VanDerWaalsContact O-CB 3.23Å; K122-L126 WeakPolarHBondContact O-CB 3.35Å; K122-L126 WeakPolarHBondContact O-CD1 3Å; K122-L126 WeakPolarHBondContact O-CG 3.18Å; K122-L126 PolarHBondContact O-N 3.07Å; C123-L126 PolarHBondContact O-N 3.05Å; L126-W128 VanDerWaalsContact C-N 3.29Å; L126-W128 PolarHBondContact O-N 3.46Å; L126-C129 CarbonylContact O-C 3.55Å; L126-C129 PolarHBondContact O-N 2.85Å; L126-C129 VanDerWaalsContact O-N 3.17Å; L126-M130 WeakPolarHBondContact O-CB 3.49Å; L126-M130 PolarHBondContact O-N 3.28Å
127L59.6Low51.1Low126 Ų12692.8 Ų92.866%0.6647%0.473SS*.Hα-helixtrans-63.5-36.6175.8-130.7138.9000111.6C123 M130 A131C123-L127 WeakPolarHBondContact O-CB 3.19Å; C123-L127 PolarHBondContact O-N 3.36Å; L127-M130 PolarHBondContact O-N 3.41Å; L127-A131 VanDerWaalsContact O-CB 3.31Å; L127-A131 WeakPolarHBondContact O-CB 3.45Å; L127-A131 PolarHBondContact O-N 2.94Å
128W58.2Low51Low110 Ų11088.1 Ų88.142%0.41746%0.46SS..Hα-helixtrans-69.4-35.2173.3-176.554.9000113L124 F125 L126 G137L124-W128 WeakPolarHBondContact O-CB 3.22Å; L124-W128 PolarHBondContact O-N 2.87Å; F125-W128 AromaticContact CD2-CE3 3.94Å; F125-W128 HydrophobicContact CD2-CE3 3.94Å; F125-W128 HydrophobicContact CD2-CZ3 4.25Å; F125-W128 HydrophobicContact CE2-CE3 4.04Å; F125-W128 AromaticContact CE2-CZ3 3.91Å; F125-W128 HydrophobicContact CE2-CZ3 3.91Å; F125-W128 PolarHBondContact O-N 2.91Å; L126-W128 VanDerWaalsContact C-N 3.29Å; L126-W128 PolarHBondContact O-N 3.46Å; W128-G137 VanDerWaalsContact CH2-CA 3.5Å
129C52.9Low51Low29 Ų2992.1 Ų92.120%0.19648%0.48CS..Hα-helixtrans-75.4-27.4173.1-90.10000113.6F125 L126F125-C129 WeakPolarHBondContact O-CB 3.23Å; F125-C129 PolarHBondContact O-N 3.44Å; L126-C129 CarbonylContact O-C 3.55Å; L126-C129 PolarHBondContact O-N 2.85Å; L126-C129 VanDerWaalsContact O-N 3.17Å
130M47.1Very low51.5Low145 Ų14589.6 Ų89.671%0.71447%0.474SS*.Hα-helixtrans-93.4-16.2-177.9-153.5-168.7-173.300112.7L126 L127 P132L126-M130 WeakPolarHBondContact O-CB 3.49Å; L126-M130 PolarHBondContact O-N 3.28Å; L127-M130 PolarHBondContact O-N 3.41Å; M130-P132 WeakPolarHBondContact O-CD 3.22Å
131A48Very low51.8Low36 Ų3688.9 Ų88.930%0.29846%0.46SS..SBendtrans-62.2120.5175.800000110L127 M133L127-A131 VanDerWaalsContact O-CB 3.31Å; L127-A131 WeakPolarHBondContact O-CB 3.45Å; L127-A131 PolarHBondContact O-N 2.94Å; A131-M133 PolarHBondContact O-N 3.44Å
132P39.5Very low51.7Low132 Ų13288.3 Ų88.386%0.85746%0.455SS*.  trans-78.360.6-179.134.9-35.2000109.7M130M130-P132 WeakPolarHBondContact O-CD 3.22Å
133M40.9Very low51.9Low131 Ų13191.4 Ų91.465%0.64547%0.473SS*.SBendtrans-116.4142.9178.2-157.493.3-87.200108.1A131 W135 N136A131-M133 PolarHBondContact O-N 3.44Å; M133-W135 PolarHBondContact O-N 3.3Å; M133-N136 PolarHBondContact O-N 2.89Å
134S43.6Very low52.2Low122 Ų12296.7 Ų96.785%0.85349%0.489SS*.SBendtrans-55.7-14.1-176.3480000114.9N136S134-N136 PolarHBondContact O-N 3.34Å
135W45.9Very low52Low198 Ų19895.1 Ų95.175%0.7548%0.484SS*.SBendtrans-95.561.4174.2-14711.1000111.3M133 G137M133-W135 PolarHBondContact O-N 3.3Å; W135-G137 PolarHBondContact O-N 3.46Å
136N54.4Low51.8Low63 Ų6393.1 Ų93.134%0.33748%0.48SS..  trans-62.1113.4-177.8-89.8-68.7000111.5M133 S134 S138 Q139 I140M133-N136 PolarHBondContact O-N 2.89Å; S134-N136 PolarHBondContact O-N 3.34Å; N136-S138 PolarHBondContact O-N 2.74Å; N136-Q139 HydrophobicContact CB-CB 4.04Å; N136-Q139 HydrophobicContact CB-CG 3.89Å; N136-Q139 WeakPolarHBondContact O-CB 3.41Å; N136-Q139 PolarHBondContact O-N 2.83Å; N136-Q139 VanDerWaalsContact O-N 3.08Å; N136-I140 PolarHBondContact O-N 2.79Å
137G53.9Low51.5Low0 Ų098.2 Ų98.20%050%0.496CS..Hα-helixtrans-56.6-35.8173.500000112.6W128 W135 Q139 I140 I141W128-G137 VanDerWaalsContact CH2-CA 3.5Å; W135-G137 PolarHBondContact O-N 3.46Å; G137-Q139 VanDerWaalsContact C-N 3.34Å; G137-Q139 PolarHBondContact O-N 2.78Å; G137-I140 PolarHBondContact O-N 3.38Å; G137-I141 WeakPolarHBondContact O-CD1 3.38Å; G137-I141 VanDerWaalsContact O-CG1 3.31Å; G137-I141 WeakPolarHBondContact O-CG1 3.44Å; G137-I141 PolarHBondContact O-N 3.1Å
138S47.9Very low51.2Low60 Ų6095.5 Ų95.542%0.4249%0.486SS..Hα-helixtrans-55.9-42.8173.8135.70000112.9N136 I140 I141 Y142N136-S138 PolarHBondContact O-N 2.74Å; S138-I140 PolarHBondContact O-N 3Å; S138-I141 PolarHBondContact O-N 3.48Å; S138-Y142 VanDerWaalsContact O-CB 3.23Å; S138-Y142 WeakPolarHBondContact O-CB 3.33Å; S138-Y142 PolarHBondContact O-N 3.36Å
139Q53.8Low51.1Low112 Ų11294 Ų9452%0.52349%0.489SS..Hα-helixtrans-67.5-35.8179.7-79.7-79.2-15.200112.4N136 G137 N143N136-Q139 HydrophobicContact CB-CB 4.04Å; N136-Q139 HydrophobicContact CB-CG 3.89Å; N136-Q139 WeakPolarHBondContact O-CB 3.41Å; N136-Q139 PolarHBondContact O-N 2.83Å; N136-Q139 VanDerWaalsContact O-N 3.08Å; G137-Q139 VanDerWaalsContact C-N 3.34Å; G137-Q139 PolarHBondContact O-N 2.78Å; Q139-N143 WeakPolarHBondContact O-CB 3.24Å; Q139-N143 PolarHBondContact O-N 2.95Å
140I57.9Low51.1Low68 Ų6899 Ų9935%0.34951%0.508SS..Hα-helixtrans-69.8-45.4177.8-71.8166.1000110.6N136 G137 S138 Y142 N143 K144N136-I140 PolarHBondContact O-N 2.79Å; G137-I140 PolarHBondContact O-N 3.38Å; S138-I140 PolarHBondContact O-N 3Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-N143 PolarHBondContact O-N 3.42Å; I140-K144 WeakPolarHBondContact O-CB 3.37Å; I140-K144 PolarHBondContact O-N 2.88Å
141I58.5Low51.6Low51 Ų5197.4 Ų97.426%0.26250%0.502SS..Hα-helixtrans-64.7-42.8178.3-64.9151.5000110.2F125 G137 S138 V145 V146F125-I141 HydrophobicContact CE1-CD1 3.81Å; F125-I141 HydrophobicContact CE2-CD1 3.96Å; F125-I141 HydrophobicContact CZ-CD1 3.18Å; F125-I141 HydrophobicContact CZ-CG1 4.1Å; G137-I141 WeakPolarHBondContact O-CD1 3.38Å; G137-I141 VanDerWaalsContact O-CG1 3.31Å; G137-I141 WeakPolarHBondContact O-CG1 3.44Å; G137-I141 PolarHBondContact O-N 3.1Å; S138-I141 PolarHBondContact O-N 3.48Å; I141-V145 WeakPolarHBondContact O-CB 3.47Å; I141-V145 PolarHBondContact O-N 3.47Å; I141-V146 HydrophobicContact CG2-CG2 4.48Å; I141-V146 PolarHBondContact O-N 2.8Å
142Y50.1Low52Low134 Ų134105.6 Ų105.653%0.52553%0.525SS..Iπ-helixtrans-60.1-49.5177.6-168.1-94.4000111.2S138 I140 V146 R147S138-Y142 VanDerWaalsContact O-CB 3.23Å; S138-Y142 WeakPolarHBondContact O-CB 3.33Å; S138-Y142 PolarHBondContact O-N 3.36Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; Y142-V146 HydrophobicContact CD2-CB 4.09Å; Y142-V146 HydrophobicContact CD2-CG1 4.05Å; Y142-V146 HydrophobicContact CD2-CG2 4.41Å; Y142-V146 HydrophobicContact CE2-CG1 4.03Å; Y142-V146 PolarHBondContact O-N 3.23Å; Y142-R147 WeakPolarHBondContact O-CB 3.46Å; Y142-R147 PolarHBondContact O-N 3.42Å
143N57.2Low52.7Low88 Ų88103.8 Ų103.847%0.47151%0.505SS..Iπ-helixtrans-72.7-34.6-179.1-87.8-34.2000114.5Q139 I140 R147Q139-N143 WeakPolarHBondContact O-CB 3.24Å; Q139-N143 PolarHBondContact O-N 2.95Å; I140-N143 PolarHBondContact O-N 3.42Å; N143-R147 WeakPolarHBondContact OD1-CD 3.25Å
144K55.6Low53.2Low169 Ų169101.8 Ų101.874%0.73549%0.494SS*.Iπ-helixtrans-89.2-29.7-176.4-88.9-159.4173.2-175.60115I140 P148I140-K144 WeakPolarHBondContact O-CB 3.37Å; I140-K144 PolarHBondContact O-N 2.88Å; K144-P148 WeakPolarHBondContact O-CG 3.45Å
145V53.8Low53.8Low86 Ų8699 Ų9952%0.52148%0.478SS..Iπ-helixtrans-119.5-51.9-170-175.10000110.7I141 P148 V149I141-V145 WeakPolarHBondContact O-CB 3.47Å; I141-V145 PolarHBondContact O-N 3.47Å; V145-P148 WeakPolarHBondContact O-CD 3.42Å; V145-P148 WeakPolarHBondContact O-CG 3.06Å; V145-V149 WeakPolarHBondContact O-CB 3.43Å; V145-V149 WeakPolarHBondContact O-CG2 2.97Å; V145-V149 PolarHBondContact O-N 2.75Å
146V52.8Low54.4Low56 Ų5692.7 Ų92.734%0.33946%0.462SS..Iπ-helixtrans-69.5-50-175.7-176.80000110.6I141 Y142 V149 F150I141-V146 HydrophobicContact CG2-CG2 4.48Å; I141-V146 PolarHBondContact O-N 2.8Å; Y142-V146 HydrophobicContact CD2-CB 4.09Å; Y142-V146 HydrophobicContact CD2-CG1 4.05Å; Y142-V146 HydrophobicContact CD2-CG2 4.41Å; Y142-V146 HydrophobicContact CE2-CG1 4.03Å; Y142-V146 PolarHBondContact O-N 3.23Å; V146-V149 PolarHBondContact O-N 3.12Å; V146-V149 VanDerWaalsContact O-N 3.17Å; V146-F150 VanDerWaalsContact O-CB 3.26Å; V146-F150 WeakPolarHBondContact O-CB 3.1Å; V146-F150 PolarHBondContact O-N 3.29Å
147R50Low54.5Low147 Ų14793.1 Ų93.156%0.55547%0.466SS*.Hα-helixtrans-54.9-48.9-178.5-148.3176.2-159-119.42113.7Y142 N143 L151Y142-R147 WeakPolarHBondContact O-CB 3.46Å; Y142-R147 PolarHBondContact O-N 3.42Å; N143-R147 WeakPolarHBondContact OD1-CD 3.25Å; R147-L151 HydrophobicContact CG-CD1 4.37Å; R147-L151 WeakPolarHBondContact O-CB 3.39Å; R147-L151 WeakPolarHBondContact O-CD1 3.29Å; R147-L151 WeakPolarHBondContact O-CG 3.32Å; R147-L151 PolarHBondContact O-N 3.34Å
148P52.6Low54.8Low68 Ų6898 Ų9844%0.44249%0.492SS..Hα-helixtrans-72.8-27.7177.726.3-33.4000113.9K144 V145 R152K144-P148 WeakPolarHBondContact O-CG 3.45Å; V145-P148 WeakPolarHBondContact O-CD 3.42Å; V145-P148 WeakPolarHBondContact O-CG 3.06Å; P148-R152 VanDerWaalsContact O-CB 3.24Å; P148-R152 WeakPolarHBondContact O-CB 3.22Å; P148-R152 PolarHBondContact O-N 3.27Å
149V56.3Low55.7Low80 Ų80100.5 Ų100.549%0.48550%0.501SS..Hα-helixtrans-74.9-40175.5171.20000111V145 V146 R152 H153V145-V149 WeakPolarHBondContact O-CB 3.43Å; V145-V149 WeakPolarHBondContact O-CG2 2.97Å; V145-V149 PolarHBondContact O-N 2.75Å; V146-V149 PolarHBondContact O-N 3.12Å; V146-V149 VanDerWaalsContact O-N 3.17Å; V149-R152 PolarHBondContact O-N 3.04Å; V149-H153 PolarHBondContact O-N 2.69Å; V149-H153 VanDerWaalsContact O-N 3.08Å; V149-H153 PolarHBondContact O-ND1 3.13Å
150F52.8Low56.1Low133 Ų133101.4 Ų101.458%0.58351%0.507SS*.Hα-helixtrans-66.8-49.5178.2-153.4-89.9000110.9V146 R152 H153 E154V146-F150 VanDerWaalsContact O-CB 3.26Å; V146-F150 WeakPolarHBondContact O-CB 3.1Å; V146-F150 PolarHBondContact O-N 3.29Å; F150-R152 PolarHBondContact O-N 2.98Å; F150-R152 VanDerWaalsContact O-N 3.11Å; F150-H153 CarbonylContact O-C 3.48Å; F150-H153 PolarHBondContact O-N 3.08Å; F150-E154 WeakPolarHBondContact O-CB 3.22Å; F150-E154 PolarHBondContact O-N 3.33Å
151L57.7Low56.6Low112 Ų112102.5 Ų102.559%0.58652%0.516SS*.Hα-helixtrans-58.5-26.2173.4-82.6160.9000113.3R147R147-L151 HydrophobicContact CG-CD1 4.37Å; R147-L151 WeakPolarHBondContact O-CB 3.39Å; R147-L151 WeakPolarHBondContact O-CD1 3.29Å; R147-L151 WeakPolarHBondContact O-CG 3.32Å; R147-L151 PolarHBondContact O-N 3.34Å
152R57.2Low57.1Low208 Ų208103.8 Ų103.879%0.78553%0.53SS*.Hα-helixtrans-83.7-22.1177.9-166.2171.8-176148.31.3113.3P148 V149 F150P148-R152 VanDerWaalsContact O-CB 3.24Å; P148-R152 WeakPolarHBondContact O-CB 3.22Å; P148-R152 PolarHBondContact O-N 3.27Å; V149-R152 PolarHBondContact O-N 3.04Å; F150-R152 PolarHBondContact O-N 2.98Å; F150-R152 VanDerWaalsContact O-N 3.11Å
153H54.1Low58.5Low94 Ų94101.8 Ų101.844%0.43553%0.528SS..Hα-helixtrans-114.1-3-178.8-68.283.4000113.6V149 F150 A155 T156 V157V149-H153 PolarHBondContact O-N 2.69Å; V149-H153 VanDerWaalsContact O-N 3.08Å; V149-H153 PolarHBondContact O-ND1 3.13Å; F150-H153 CarbonylContact O-C 3.48Å; F150-H153 PolarHBondContact O-N 3.08Å; H153-A155 VanDerWaalsContact C-N 3.26Å; H153-A155 PolarHBondContact O-N 3.18Å; H153-T156 CarbonylContact O-C 3.57Å; H153-T156 WeakPolarHBondContact O-CA 3.49Å; H153-T156 WeakPolarHBondContact O-CB 3.4Å; H153-T156 PolarHBondContact O-N 3.26Å; H153-V157 WeakPolarHBondContact O-CG2 3.31Å; H153-V157 PolarHBondContact O-N 2.86Å
154E51.3Low59.3Low89 Ų89103.7 Ų103.742%0.41654%0.538SS..Hα-helixtrans-54.3-45.8176.3-168.6173.3-147.600110.1F150 T156 V157 D158F150-E154 WeakPolarHBondContact O-CB 3.22Å; F150-E154 PolarHBondContact O-N 3.33Å; E154-T156 VanDerWaalsContact C-N 3.3Å; E154-T156 PolarHBondContact O-N 3.08Å; E154-V157 PolarHBondContact O-N 3.47Å; E154-D158 WeakPolarHBondContact O-CB 3.3Å; E154-D158 PolarHBondContact O-N 3.2Å
155A55.9Low60.4Low63 Ų6398.9 Ų98.952%0.52153%0.525SS..Hα-helixtrans-59.6-37.1173.100000112.8H153 N159H153-A155 VanDerWaalsContact C-N 3.26Å; H153-A155 PolarHBondContact O-N 3.18Å; A155-N159 VanDerWaalsContact O-CB 3.22Å; A155-N159 WeakPolarHBondContact O-CB 3.33Å; A155-N159 VanDerWaalsContact O-CG 3.25Å; A155-N159 PolarHBondContact O-N 2.92Å; A155-N159 VanDerWaalsContact O-N 3.08Å; A155-N159 PolarHBondContact O-ND2 2.84Å
156T58.4Low61.6Low66 Ų6696.3 Ų96.341%0.40552%0.517SS..Hα-helixtrans-75.8-39.1-179.8-50.90000112H153 E154 M160H153-T156 CarbonylContact O-C 3.57Å; H153-T156 WeakPolarHBondContact O-CA 3.49Å; H153-T156 WeakPolarHBondContact O-CB 3.4Å; H153-T156 PolarHBondContact O-N 3.26Å; E154-T156 VanDerWaalsContact C-N 3.3Å; E154-T156 PolarHBondContact O-N 3.08Å; T156-M160 HydrophobicContact CG2-CE 4.13Å; T156-M160 WeakPolarHBondContact O-CB 3.15Å; T156-M160 VanDerWaalsContact O-CG 3.3Å; T156-M160 WeakPolarHBondContact O-CG 3.46Å; T156-M160 PolarHBondContact O-N 3.47Å
157V55.7Low63Low72 Ų7299.8 Ų99.844%0.43653%0.527SS..Hα-helixtrans-70.4-44.1178.4175.10000110.5H153 E154 N159 M160 V161H153-V157 WeakPolarHBondContact O-CG2 3.31Å; H153-V157 PolarHBondContact O-N 2.86Å; E154-V157 PolarHBondContact O-N 3.47Å; V157-N159 VanDerWaalsContact C-N 3.33Å; V157-N159 PolarHBondContact O-N 3.44Å; V157-M160 PolarHBondContact O-N 2.86Å; V157-V161 HydrophobicContact CG1-CG2 4.35Å; V157-V161 WeakPolarHBondContact O-CB 3.48Å; V157-V161 WeakPolarHBondContact O-CG2 3.32Å; V157-V161 PolarHBondContact O-N 2.96Å
158D61.6Low64.2Low102 Ų10295.7 Ų95.755%0.54553%0.525SS..Hα-helixtrans-63.8-39.7175.2-82.9-9.4000111.5E154 V161 S162E154-D158 WeakPolarHBondContact O-CB 3.3Å; E154-D158 PolarHBondContact O-N 3.2Å; D158-V161 PolarHBondContact O-N 2.94Å; D158-S162 WeakPolarHBondContact O-CB 3.3Å; D158-S162 PolarHBondContact O-N 3.24Å
159N66.1Low65.3Low112 Ų11298.4 Ų98.460%0.59953%0.533SS*.Hα-helixtrans-64.1-41.5173.2-83.2-57.2000111.6A155 V157 D163A155-N159 VanDerWaalsContact O-CB 3.22Å; A155-N159 WeakPolarHBondContact O-CB 3.33Å; A155-N159 VanDerWaalsContact O-CG 3.25Å; A155-N159 PolarHBondContact O-N 2.92Å; A155-N159 VanDerWaalsContact O-N 3.08Å; A155-N159 PolarHBondContact O-ND2 2.84Å; V157-N159 VanDerWaalsContact C-N 3.33Å; V157-N159 PolarHBondContact O-N 3.44Å; N159-D163 WeakPolarHBondContact O-CB 3.11Å; N159-D163 PolarHBondContact O-N 2.83Å
160M62.3Low66.3Low131 Ų13197.5 Ų97.565%0.64553%0.531SS*.Hα-helixtrans-66.3-42.5177-77-178.4176.100112.5T156 V157 D163 L164T156-M160 HydrophobicContact CG2-CE 4.13Å; T156-M160 WeakPolarHBondContact O-CB 3.15Å; T156-M160 VanDerWaalsContact O-CG 3.3Å; T156-M160 WeakPolarHBondContact O-CG 3.46Å; T156-M160 PolarHBondContact O-N 3.47Å; V157-M160 PolarHBondContact O-N 2.86Å; M160-D163 PolarHBondContact O-N 2.9Å; M160-L164 VanDerWaalsContact O-CB 3.31Å; M160-L164 WeakPolarHBondContact O-CB 3.18Å; M160-L164 PolarHBondContact O-N 3.43Å
161V67.7Low67.4Low91 Ų9193.7 Ų93.755%0.55252%0.523SS*.Hα-helixtrans-67.5-40.8177.9171.30000110.8V157 D158 L164 S165V157-V161 HydrophobicContact CG1-CG2 4.35Å; V157-V161 WeakPolarHBondContact O-CB 3.48Å; V157-V161 WeakPolarHBondContact O-CG2 3.32Å; V157-V161 PolarHBondContact O-N 2.96Å; D158-V161 PolarHBondContact O-N 2.94Å; V161-L164 PolarHBondContact O-N 2.85Å; V161-S165 WeakPolarHBondContact O-CB 3.31Å; V161-S165 PolarHBondContact O-N 3.48Å
162S70.3Confident68.1Low79 Ų7990.8 Ų90.855%0.55252%0.516SS*.Hα-helixtrans-65-41.4175-174.40000111.6D158 S165 G166D158-S162 WeakPolarHBondContact O-CB 3.3Å; D158-S162 PolarHBondContact O-N 3.24Å; S162-S165 PolarHBondContact O-N 2.8Å; S162-G166 PolarHBondContact O-N 3.46Å
163D79.9Confident68.9Low91 Ų9186.7 Ų86.749%0.48751%0.506SS..Hα-helixtrans-70.3-36179-158.155.5000111.8N159 M160 K167N159-D163 WeakPolarHBondContact O-CB 3.11Å; N159-D163 PolarHBondContact O-N 2.83Å; M160-D163 PolarHBondContact O-N 2.9Å; D163-K167 WeakPolarHBondContact O-CB 3.27Å; D163-K167 WeakPolarHBondContact O-CD 3.42Å; D163-K167 VanDerWaalsContact O-CG 3.23Å; D163-K167 WeakPolarHBondContact O-CG 3.39Å; D163-K167 PolarHBondContact O-N 2.9Å; D163-K167 WeakPolarHBondContact OD2-CE 3.26Å; D163-K167 IonicContact OD2-NZ 2.7Å; D163-K167 PolarHBondContact OD2-NZ 2.7Å
164L73.8Confident69.7Low129 Ų12986.2 Ų86.268%0.67551%0.506SS*.Hα-helixtrans-71.1-42174.4-144.176.2000111.9M160 V161 K167 A168M160-L164 VanDerWaalsContact O-CB 3.31Å; M160-L164 WeakPolarHBondContact O-CB 3.18Å; M160-L164 PolarHBondContact O-N 3.43Å; V161-L164 PolarHBondContact O-N 2.85Å; L164-K167 PolarHBondContact O-N 3.45Å; L164-A168 VanDerWaalsContact O-CB 3.27Å; L164-A168 WeakPolarHBondContact O-CB 3.23Å; L164-A168 PolarHBondContact O-N 3.46Å
165S77.8Confident70.5Confident67 Ų6788.1 Ų88.147%0.46952%0.519SS..Hα-helixtrans-64.7-42.3175.4-175.60000111V161 S162 A168 M169V161-S165 WeakPolarHBondContact O-CB 3.31Å; V161-S165 PolarHBondContact O-N 3.48Å; S162-S165 PolarHBondContact O-N 2.8Å; S165-A168 PolarHBondContact O-N 2.88Å; S165-M169 VanDerWaalsContact O-CB 3.26Å; S165-M169 WeakPolarHBondContact O-CB 3.32Å; S165-M169 PolarHBondContact O-N 3.42Å
166G79.4Confident71.1Confident33 Ų3390.6 Ų90.634%0.3453%0.527SS..Hα-helixtrans-61.4-48.917400000112S162 A168 M169 S170S162-G166 PolarHBondContact O-N 3.46Å; G166-A168 PolarHBondContact O-N 2.93Å; G166-M169 PolarHBondContact O-N 2.92Å; G166-S170 WeakPolarHBondContact O-CB 3.36Å; G166-S170 PolarHBondContact O-N 3.45Å; G166-S170 PolarHBondContact O-OG 3.29Å; G166-S170 VanDerWaalsContact O-OG 3.05Å
167K81.3Confident71.2Confident128 Ų12897 Ų9756%0.55754%0.544SS*.Hα-helixtrans-62-41.2176.3-77.4167.6176.8158.80112.8D163 L164 A171D163-K167 WeakPolarHBondContact O-CB 3.27Å; D163-K167 WeakPolarHBondContact O-CD 3.42Å; D163-K167 VanDerWaalsContact O-CG 3.23Å; D163-K167 WeakPolarHBondContact O-CG 3.39Å; D163-K167 PolarHBondContact O-N 2.9Å; D163-K167 WeakPolarHBondContact OD2-CE 3.26Å; D163-K167 IonicContact OD2-NZ 2.7Å; D163-K167 PolarHBondContact OD2-NZ 2.7Å; L164-K167 PolarHBondContact O-N 3.45Å; K167-A171 VanDerWaalsContact O-CB 3.27Å; K167-A171 WeakPolarHBondContact O-CB 3.47Å; K167-A171 PolarHBondContact O-N 2.91Å
168A76.1Confident71.4Confident61 Ų61100.9 Ų100.950%0.50456%0.558SS.*Hα-helixtrans-66.2-41.2176.700000111.9L164 S165 G166 A171 A172L164-A168 VanDerWaalsContact O-CB 3.27Å; L164-A168 WeakPolarHBondContact O-CB 3.23Å; L164-A168 PolarHBondContact O-N 3.46Å; S165-A168 PolarHBondContact O-N 2.88Å; G166-A168 PolarHBondContact O-N 2.93Å; A168-A171 PolarHBondContact O-N 2.79Å; A168-A172 WeakPolarHBondContact O-CB 3.27Å; A168-A172 PolarHBondContact O-N 3.05Å
169M75.5Confident70.9Confident125 Ų12598.6 Ų98.662%0.61656%0.558SS**Hα-helixtrans-69.2-42.9177.9-165.9173.7-7000111.4S165 G166 A171 A172 E173S165-M169 VanDerWaalsContact O-CB 3.26Å; S165-M169 WeakPolarHBondContact O-CB 3.32Å; S165-M169 PolarHBondContact O-N 3.42Å; G166-M169 PolarHBondContact O-N 2.92Å; M169-A171 VanDerWaalsContact C-N 3.33Å; M169-A171 PolarHBondContact O-N 3.48Å; M169-A172 PolarHBondContact O-N 3.3Å; M169-E173 VanDerWaalsContact O-CB 3.25Å; M169-E173 WeakPolarHBondContact O-CB 3.49Å; M169-E173 PolarHBondContact O-N 2.93Å
170S76.6Confident70.1Confident62 Ų6298.7 Ų98.743%0.43456%0.558SS.*Hα-helixtrans-65.4-33.9173.9-61.10000112.8G166 N174G166-S170 WeakPolarHBondContact O-CB 3.36Å; G166-S170 PolarHBondContact O-N 3.45Å; G166-S170 PolarHBondContact O-OG 3.29Å; G166-S170 VanDerWaalsContact O-OG 3.05Å; S170-N174 WeakPolarHBondContact O-CB 3.25Å; S170-N174 PolarHBondContact O-N 3.43Å; S170-N174 PolarHBondContact O-ND2 2.82Å
171A76.1Confident69.8Low52 Ų5297.6 Ų97.643%0.4356%0.561SS.*Hα-helixtrans-69.1-44.5172.900000111.3K167 A168 M169 E173 N174 L175K167-A171 VanDerWaalsContact O-CB 3.27Å; K167-A171 WeakPolarHBondContact O-CB 3.47Å; K167-A171 PolarHBondContact O-N 2.91Å; A168-A171 PolarHBondContact O-N 2.79Å; M169-A171 VanDerWaalsContact C-N 3.33Å; M169-A171 PolarHBondContact O-N 3.48Å; A171-E173 VanDerWaalsContact C-N 3.33Å; A171-E173 PolarHBondContact O-N 3.44Å; A171-N174 PolarHBondContact O-N 3.24Å; A171-L175 WeakPolarHBondContact O-CB 3.33Å; A171-L175 VanDerWaalsContact O-CG 3.24Å; A171-L175 WeakPolarHBondContact O-CG 3.37Å; A171-L175 PolarHBondContact O-N 3.49Å
172A73.2Confident68.8Low52 Ų5297 Ų9743%0.4357%0.566SS.*Hα-helixtrans-63.5-38.8175.600000112.3A168 M169 L175 T176A168-A172 WeakPolarHBondContact O-CB 3.27Å; A168-A172 PolarHBondContact O-N 3.05Å; M169-A172 PolarHBondContact O-N 3.3Å; A172-L175 PolarHBondContact O-N 2.92Å; A172-T176 WeakPolarHBondContact O-CB 3.24Å; A172-T176 PolarHBondContact O-N 2.82Å; A172-T176 PolarHBondContact O-OG1 2.72Å
173E73.3Confident67.8Low122 Ų12296 Ų9657%0.5756%0.557SS**Hα-helixtrans-70-40.9176.7-165.9180158.200111.3M169 A171 L175 T176 R177M169-E173 VanDerWaalsContact O-CB 3.25Å; M169-E173 WeakPolarHBondContact O-CB 3.49Å; M169-E173 PolarHBondContact O-N 2.93Å; A171-E173 VanDerWaalsContact C-N 3.33Å; A171-E173 PolarHBondContact O-N 3.44Å; E173-L175 PolarHBondContact O-N 2.93Å; E173-T176 PolarHBondContact O-N 3.38Å; E173-R177 WeakPolarHBondContact O-CB 3.14Å; E173-R177 PolarHBondContact O-N 2.77Å
174N71.8Confident66.7Low84 Ų8497.3 Ų97.345%0.44957%0.568SS.*Hα-helixtrans-63.5-39.6172.2-83.5-61.8000112.1S170 A171 T176 R177 E178S170-N174 WeakPolarHBondContact O-CB 3.25Å; S170-N174 PolarHBondContact O-N 3.43Å; S170-N174 PolarHBondContact O-ND2 2.82Å; A171-N174 PolarHBondContact O-N 3.24Å; N174-T176 VanDerWaalsContact C-N 3.32Å; N174-T176 PolarHBondContact O-N 3.43Å; N174-R177 PolarHBondContact O-N 2.78Å; N174-E178 VanDerWaalsContact O-CB 3.27Å; N174-E178 WeakPolarHBondContact O-CB 3.38Å; N174-E178 WeakPolarHBondContact O-CG 3.27Å; N174-E178 PolarHBondContact O-N 3.33Å
175L68.8Low65.8Low129 Ų12998.1 Ų98.168%0.67557%0.569SS**Hα-helixtrans-66.4-34.2174.5-69.6169.3000112.7A171 A172 E173A171-L175 WeakPolarHBondContact O-CB 3.33Å; A171-L175 VanDerWaalsContact O-CG 3.24Å; A171-L175 WeakPolarHBondContact O-CG 3.37Å; A171-L175 PolarHBondContact O-N 3.49Å; A172-L175 PolarHBondContact O-N 2.92Å; E173-L175 PolarHBondContact O-N 2.93Å
176T66.8Low64.8Low115 Ų11598.4 Ų98.471%0.70657%0.568SS**Hα-helixtrans-74.1-35.2175.8-54.90000111.4A172 E173 N174A172-T176 WeakPolarHBondContact O-CB 3.24Å; A172-T176 PolarHBondContact O-N 2.82Å; A172-T176 PolarHBondContact O-OG1 2.72Å; E173-T176 PolarHBondContact O-N 3.38Å; N174-T176 VanDerWaalsContact C-N 3.32Å; N174-T176 PolarHBondContact O-N 3.43Å
177R61.1Low63.6Low199 Ų199102.8 Ų102.875%0.75158%0.579SS**Hα-helixtrans-82.5-31.3-178.5-157.2-179.584.6112.96.3113.1E173 N174 G179E173-R177 WeakPolarHBondContact O-CB 3.14Å; E173-R177 PolarHBondContact O-N 2.77Å; N174-R177 PolarHBondContact O-N 2.78Å; R177-G179 PolarHBondContact O-N 3.47Å
178E59.2Low62.5Low155 Ų15599.5 Ų99.572%0.72457%0.573SS**THydrogen-bonded Turntrans-75.8-4.7170.7-73.6-155.3138.900113.1N174 N180N174-E178 VanDerWaalsContact O-CB 3.27Å; N174-E178 WeakPolarHBondContact O-CB 3.38Å; N174-E178 WeakPolarHBondContact O-CG 3.27Å; N174-E178 PolarHBondContact O-N 3.33Å; E178-N180 VanDerWaalsContact C-N 3.32Å; E178-N180 PolarHBondContact O-N 3.43Å; E178-N180 VanDerWaalsContact O-N 3.09Å
179G52.4Low61.6Low53 Ų53102 Ų10255%0.54658%0.576SS.*THydrogen-bonded Turntrans47.151.116200000114R177 P181R177-G179 PolarHBondContact O-N 3.47Å; G179-P181 WeakPolarHBondContact O-CD 3.4Å
180N48Very low61Low114 Ų114101 Ų10161%0.6157%0.574SS**  trans-114.979.5166.1-167.146.7000110E178 A182E178-N180 VanDerWaalsContact C-N 3.32Å; E178-N180 PolarHBondContact O-N 3.43Å; E178-N180 VanDerWaalsContact O-N 3.09Å; N180-A182 PolarHBondContact O-N 3.09Å
181P57.4Low60.3Low108 Ų108104.7 Ų104.770%0.70158%0.582SS**SBendtrans-60.2124.7135.430.5-25.9000105G179G179-P181 WeakPolarHBondContact O-CD 3.4Å
182A46.8Very low59.8Low79 Ų79109 Ų10965%0.65359%0.593SS**  trans-43.1135.9178.700000110.5N180 V184N180-A182 PolarHBondContact O-N 3.09Å; A182-V184 PolarHBondContact O-N 3.32Å
183P49.3Very low59.2Low58 Ų58112.9 Ų112.938%0.37760%0.602SS.*  trans-61131.2-162.4-19.630.5000110.7E185 T186P183-E185 HydrophobicContact CB-CB 4.28Å; P183-E185 PolarHBondContact O-N 3.45Å; P183-E185 VanDerWaalsContact O-N 3.07Å; P183-T186 WeakPolarHBondContact O-CB 3.5Å; P183-T186 PolarHBondContact O-N 3.07Å
184V56.1Low58.8Low119 Ų119109.8 Ų109.872%0.72160%0.597SS**Hα-helixtrans-55.8-24.2170.7179.90000110.7A182 T186 Q187 S188A182-V184 PolarHBondContact O-N 3.32Å; V184-T186 VanDerWaalsContact C-N 3.35Å; V184-T186 PolarHBondContact O-N 2.89Å; V184-Q187 PolarHBondContact O-N 3.31Å; V184-S188 PolarHBondContact O-N 2.95Å; V184-S188 PolarHBondContact O-OG 3.28Å
185E54.2Low58.1Low146 Ų146111.9 Ų111.968%0.68261%0.609SS**Hα-helixtrans-59.8-37.4170.7-84-176124.600113.7P183 S188 L189P183-E185 HydrophobicContact CB-CB 4.28Å; P183-E185 PolarHBondContact O-N 3.45Å; P183-E185 VanDerWaalsContact O-N 3.07Å; E185-S188 VanDerWaalsContact CA-OG 3.29Å; E185-S188 WeakPolarHBondContact CA-OG 3.05Å; E185-S188 PolarHBondContact O-N 2.97Å; E185-S188 PolarHBondContact O-OG 2.93Å; E185-L189 WeakPolarHBondContact O-CB 3.19Å; E185-L189 WeakPolarHBondContact O-CG 3.4Å; E185-L189 PolarHBondContact O-N 3.39Å
186T56.5Low57.7Low73 Ų73110.5 Ų110.545%0.44861%0.606SS.*Hα-helixtrans-71.1-34.3178.6-47.40000111P183 V184 L190P183-T186 WeakPolarHBondContact O-CB 3.5Å; P183-T186 PolarHBondContact O-N 3.07Å; V184-T186 VanDerWaalsContact C-N 3.35Å; V184-T186 PolarHBondContact O-N 2.89Å; T186-L190 HydrophobicContact CG2-CD1 4.49Å; T186-L190 VanDerWaalsContact O-CG 3.23Å; T186-L190 WeakPolarHBondContact O-CG 3.29Å; T186-L190 PolarHBondContact O-N 3.09Å
187Q55.8Low57.2Low125 Ų125110 Ų11058%0.58461%0.607SS**Hα-helixtrans-69.1-45171.5-82.5-164.9-26.300111.5V184 L189 L190 F191V184-Q187 PolarHBondContact O-N 3.31Å; Q187-L189 VanDerWaalsContact C-N 3.29Å; Q187-L189 PolarHBondContact O-N 3.22Å; Q187-L190 PolarHBondContact O-N 2.95Å; Q187-F191 HydrophobicContact CB-CD2 4.24Å; Q187-F191 HydrophobicContact CB-CE2 4.22Å; Q187-F191 WeakPolarHBondContact O-CD2 3.25Å; Q187-F191 PolarHBondContact O-N 3.19Å
188S56.6Low56.9Low59 Ų59104.2 Ų104.241%0.41360%0.597SS.*Hα-helixtrans-62.9-34.917954.30000113V184 E185 Q192V184-S188 PolarHBondContact O-N 2.95Å; V184-S188 PolarHBondContact O-OG 3.28Å; E185-S188 VanDerWaalsContact CA-OG 3.29Å; E185-S188 WeakPolarHBondContact CA-OG 3.05Å; E185-S188 PolarHBondContact O-N 2.97Å; E185-S188 PolarHBondContact O-OG 2.93Å; S188-Q192 VanDerWaalsContact O-CB 3.24Å; S188-Q192 WeakPolarHBondContact O-CB 3.23Å; S188-Q192 PolarHBondContact O-N 3.34Å
189L58.5Low56.1Low112 Ų112101.1 Ų101.159%0.58659%0.593SS**Hα-helixtrans-69.4-38.7176.4-70.9170.4000112.1E185 Q187 Q192 E193E185-L189 WeakPolarHBondContact O-CB 3.19Å; E185-L189 WeakPolarHBondContact O-CG 3.4Å; E185-L189 PolarHBondContact O-N 3.39Å; Q187-L189 VanDerWaalsContact C-N 3.29Å; Q187-L189 PolarHBondContact O-N 3.22Å; L189-Q192 PolarHBondContact O-N 2.91Å; L189-E193 WeakPolarHBondContact O-CB 3.24Å; L189-E193 PolarHBondContact O-N 2.89Å
190L62.6Low55.9Low106 Ų106108.5 Ų108.556%0.55563%0.631SS**Hα-helixtrans-71.3-36175.5-68176.4000112.7T186 Q187 Q192 A194T186-L190 HydrophobicContact CG2-CD1 4.49Å; T186-L190 VanDerWaalsContact O-CG 3.23Å; T186-L190 WeakPolarHBondContact O-CG 3.29Å; T186-L190 PolarHBondContact O-N 3.09Å; Q187-L190 PolarHBondContact O-N 2.95Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; L190-A194 VanDerWaalsContact O-CB 3.25Å; L190-A194 WeakPolarHBondContact O-CB 3.5Å; L190-A194 PolarHBondContact O-N 3.39Å; L190-A194 VanDerWaalsContact O-N 3.09Å
191F61.7Low56.3Low139 Ų139108.2 Ų108.261%0.6163%0.632SS**Hα-helixtrans-70.4-29.6173.5-79.1-68.7000112.4Q187 N195Q187-F191 HydrophobicContact CB-CD2 4.24Å; Q187-F191 HydrophobicContact CB-CE2 4.22Å; Q187-F191 WeakPolarHBondContact O-CD2 3.25Å; Q187-F191 PolarHBondContact O-N 3.19Å; F191-N195 PolarHBondContact O-N 3.43Å
192Q65Low56.2Low142 Ų142108.2 Ų108.266%0.66463%0.628SS**Hα-helixtrans-78.2-45.3176.8-164.9140.5-23.900111.5S188 L189 L190 A194 N195 T196S188-Q192 VanDerWaalsContact O-CB 3.24Å; S188-Q192 WeakPolarHBondContact O-CB 3.23Å; S188-Q192 PolarHBondContact O-N 3.34Å; L189-Q192 PolarHBondContact O-N 2.91Å; L190-Q192 VanDerWaalsContact C-N 3.33Å; Q192-A194 VanDerWaalsContact C-N 3.34Å; Q192-A194 PolarHBondContact O-N 3.25Å; Q192-N195 PolarHBondContact O-N 2.76Å; Q192-T196 PolarHBondContact O-N 3.38Å; Q192-T196 VanDerWaalsContact O-N 3.14Å; Q192-T196 PolarHBondContact O-OG1 3.26Å
193E62.3Low56.8Low134 Ų134109.8 Ų109.863%0.62663%0.627SS**Hα-helixtrans-58.2-44173.4-89.2-169.9103.700111.9L189 N195 T196 S197L189-E193 WeakPolarHBondContact O-CB 3.24Å; L189-E193 PolarHBondContact O-N 2.89Å; E193-N195 VanDerWaalsContact C-N 3.3Å; E193-N195 PolarHBondContact O-N 3.3Å; E193-T196 PolarHBondContact O-N 3.4Å; E193-T196 PolarHBondContact O-OG1 3.08Å; E193-S197 PolarHBondContact O-N 3.42Å; E193-S197 VanDerWaalsContact O-N 3.08Å; E193-S197 PolarHBondContact O-OG 3.14Å
194A64.4Low57.2Low56 Ų56112.9 Ų112.946%0.46364%0.641SS.*Hα-helixtrans-63.7-30.6179.800000113.9L190 Q192 S197 S198L190-A194 VanDerWaalsContact O-CB 3.25Å; L190-A194 WeakPolarHBondContact O-CB 3.5Å; L190-A194 PolarHBondContact O-N 3.39Å; L190-A194 VanDerWaalsContact O-N 3.09Å; Q192-A194 VanDerWaalsContact C-N 3.34Å; Q192-A194 PolarHBondContact O-N 3.25Å; A194-S197 PolarHBondContact O-OG 3.27Å; A194-S198 PolarHBondContact O-OG 3.33Å
195N56.1Low57.3Low128 Ų128112.5 Ų112.568%0.68464%0.636SS**Hα-helixtrans-83.1-27.2177.7-102.9-6.5000113.3F191 Q192 E193 S198F191-N195 PolarHBondContact O-N 3.43Å; Q192-N195 PolarHBondContact O-N 2.76Å; E193-N195 VanDerWaalsContact C-N 3.3Å; E193-N195 PolarHBondContact O-N 3.3Å; N195-S198 PolarHBondContact O-OG 3.18Å
196T60.2Low57.5Low101 Ų101110.3 Ų110.362%0.6263%0.633SS**Hα-helixtrans-80.2-26174.212.90000113.5Q192 E193 S198Q192-T196 PolarHBondContact O-N 3.38Å; Q192-T196 VanDerWaalsContact O-N 3.14Å; Q192-T196 PolarHBondContact O-OG1 3.26Å; E193-T196 PolarHBondContact O-N 3.4Å; E193-T196 PolarHBondContact O-OG1 3.08Å; T196-S198 VanDerWaalsContact C-N 3.32Å
197S56.2Low57.5Low103 Ų103112.9 Ų112.972%0.7265%0.646SS**THydrogen-bonded Turntrans-81.4-8.517861.80000114.4E193 A194E193-S197 PolarHBondContact O-N 3.42Å; E193-S197 VanDerWaalsContact O-N 3.08Å; E193-S197 PolarHBondContact O-OG 3.14Å; A194-S197 PolarHBondContact O-OG 3.27Å
198S54.6Low57.7Low79 Ų79112 Ų11255%0.55265%0.651SS**THydrogen-bonded Turntrans-99.416.9178.356.20000113.9A194 N195 T196A194-S198 PolarHBondContact O-OG 3.33Å; N195-S198 PolarHBondContact O-OG 3.18Å; T196-S198 VanDerWaalsContact C-N 3.32Å
199S42.7Very low57.8Low90 Ų90116.4 Ų116.463%0.62967%0.671SS**  trans-143.8131.5170.9-61.90000109.1
200P49Very low57.7Low207 Ų207116.8 Ų116.8100%1.34468%0.679SS**  cis-103.406.626.4-9.3000115.2

Retrieved 200 of 200 residues in 112.6 ms (Link to these results)