A0AA82N2P4_SCHMA Loading...

Methyltransferase

AlphaFold DB (A0A5K4FAJ9), UniProt , Accession A0AA82N2P4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 84 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
1M34.3Very low50.8Low185 Ų18596.5 Ų96.591%0.91149%0.493SS*.  0108.80-120.1161.5-178.800107.6K3M1-K3 PolarHBondContact O-N 3.45Å
2T34.3Very low51.6Low140 Ų14091.7 Ų91.786%0.85947%0.466SS*.  trans-66.1115171.2190000107.2K4T2-K4 PolarHBondContact O-N 3.19Å
3K39.6Very low52.2Low186 Ų18685.7 Ų85.781%0.80944%0.436SS*.  trans-56.4112.9173.9-67.5-179.9177.7-176.60107.2M1 S5M1-K3 PolarHBondContact O-N 3.45Å; K3-S5 PolarHBondContact O-N 2.8Å
4K49.3Very low52.9Low90 Ų9089.6 Ų89.639%0.39145%0.448SS..  trans-60130.3164.9-75.4-167175.7-175.30106.7T2 D8 Y62 E70T2-K4 PolarHBondContact O-N 3.19Å; K4-D8 HydrophobicContact CB-CB 4.31Å; K4-Y62 WeakPolarHBondContact O-CE1 3.46Å; K4-E70 IonicContact NZ-OE1 2.88Å; K4-E70 PolarHBondContact NZ-OE1 3.24Å; K4-E70 IonicContact NZ-OE2 2.69Å; K4-E70 PolarHBondContact NZ-OE2 2.91Å
5S52.5Low53.2Low48 Ų4886.9 Ų86.934%0.33645%0.446SS..  trans-72.6160.4-177.668.60000110.3K3 D7 D8 L9 Y62K3-S5 PolarHBondContact O-N 2.8Å; S5-D7 PolarHBondContact O-N 3.25Å; S5-D7 PolarHBondContact OG-N 3.45Å; S5-D8 PolarHBondContact N-OD2 3.13Å; S5-D8 WeakPolarHBondContact O-CB 3.47Å; S5-D8 PolarHBondContact O-N 3.45Å; S5-D8 PolarHBondContact OG-N 3.37Å; S5-D8 PolarHBondContact OG-OD2 2.79Å; S5-L9 PolarHBondContact O-N 3.13Å; S5-Y62 PolarHBondContact O-OH 2.88Å
6R52.8Low53.4Low128 Ų12883 Ų8348%0.48343%0.427SS..Hα-helixtrans-50.2-36.8168.3-176.4-168.565.2-170.4-3.3111.5D8 L9 L10 L26 Y62R6-D8 VanDerWaalsContact C-N 3.33Å; R6-D8 PolarHBondContact O-N 3.2Å; R6-L9 PolarHBondContact O-N 3.18Å; R6-L10 HydrophobicContact CG-CD1 4.1Å; R6-L10 WeakPolarHBondContact O-CB 3.34Å; R6-L10 WeakPolarHBondContact O-CG 3.38Å; R6-L10 PolarHBondContact O-N 2.98Å; R6-L26 HydrophobicContact CG-CD1 4.06Å; R6-Y62 WeakPolarHBondContact CA-OH 3.29Å
7D57.9Low53.3Low87 Ų8781.9 Ų81.947%0.46544%0.441SS..Hα-helixtrans-70.8-30.2-177.5-59.1-22.6000111.7S5 S11S5-D7 PolarHBondContact O-N 3.25Å; S5-D7 PolarHBondContact OG-N 3.45Å; D7-S11 VanDerWaalsContact O-CB 3.29Å; D7-S11 WeakPolarHBondContact O-CB 3.46Å; D7-S11 PolarHBondContact O-N 3.29Å; D7-S11 PolarHBondContact O-OG 3.2Å
8D58Low53.2Low81 Ų8180.8 Ų80.843%0.43343%0.431SS..Hα-helixtrans-68.4-42.5173.7-61.2-45.5000111.5K4 S5 R6 S11 F12K4-D8 HydrophobicContact CB-CB 4.31Å; S5-D8 PolarHBondContact N-OD2 3.13Å; S5-D8 WeakPolarHBondContact O-CB 3.47Å; S5-D8 PolarHBondContact O-N 3.45Å; S5-D8 PolarHBondContact OG-N 3.37Å; S5-D8 PolarHBondContact OG-OD2 2.79Å; R6-D8 VanDerWaalsContact C-N 3.33Å; R6-D8 PolarHBondContact O-N 3.2Å; D8-S11 PolarHBondContact O-N 3.45Å; D8-F12 VanDerWaalsContact O-CB 3.29Å; D8-F12 WeakPolarHBondContact O-CB 3.41Å; D8-F12 PolarHBondContact O-N 3.1Å
9L58.1Low53.1Low11 Ų1183.3 Ų83.36%0.05845%0.445CS..Hα-helixtrans-67.2-42.5176.2179.267.5000111.5S5 R6 S11 F12 L13 Y62 L69S5-L9 PolarHBondContact O-N 3.13Å; R6-L9 PolarHBondContact O-N 3.18Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.28Å; L9-F12 HydrophobicContact CD1-CD1 4.49Å; L9-F12 WeakPolarHBondContact O-CB 3.16Å; L9-F12 PolarHBondContact O-N 2.97Å; L9-L13 HydrophobicContact CD1-CG 4.45Å; L9-L13 HydrophobicContact CG-CD1 4.25Å; L9-L13 HydrophobicContact CG-CG 4.47Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 2.65Å; L9-Y62 WeakPolarHBondContact CB-OH 3.45Å; L9-Y62 HydrophobicContact CD2-CE2 4Å; L9-Y62 WeakPolarHBondContact CD2-OH 3.44Å; L9-L69 HydrophobicContact CD1-CD2 3.75Å
10L59Low53Low33 Ų3383.1 Ų83.117%0.17344%0.438CS..Hα-helixtrans-60.7-42174.8-81.1169.6000111.8R6 F12 K14 L26R6-L10 HydrophobicContact CG-CD1 4.1Å; R6-L10 WeakPolarHBondContact O-CB 3.34Å; R6-L10 WeakPolarHBondContact O-CG 3.38Å; R6-L10 PolarHBondContact O-N 2.98Å; L10-F12 VanDerWaalsContact C-N 3.33Å; L10-K14 WeakPolarHBondContact O-CB 3.22Å; L10-K14 VanDerWaalsContact O-CG 3.31Å; L10-K14 WeakPolarHBondContact O-CG 3.28Å; L10-K14 PolarHBondContact O-N 3.3Å; L10-K14 VanDerWaalsContact O-N 3.07Å; L10-L26 HydrophobicContact CD1-CD1 4.02Å; L10-L26 HydrophobicContact CD2-CD1 3.47Å; L10-L26 VanDerWaalsContact CD2-CD1 3.47Å; L10-L26 HydrophobicContact CG-CD1 3.58Å
11S62.9Low52.8Low73 Ų7387.5 Ų87.551%0.5146%0.456SS..Hα-helixtrans-64.4-40.9176.2-60.70000111.4D7 D8 L9 K14 A15D7-S11 VanDerWaalsContact O-CB 3.29Å; D7-S11 WeakPolarHBondContact O-CB 3.46Å; D7-S11 PolarHBondContact O-N 3.29Å; D7-S11 PolarHBondContact O-OG 3.2Å; D8-S11 PolarHBondContact O-N 3.45Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.28Å; S11-K14 PolarHBondContact O-N 2.9Å; S11-A15 WeakPolarHBondContact O-CB 3.48Å; S11-A15 PolarHBondContact O-N 3.43Å
12F60.5Low53.3Low38 Ų3879 Ų7917%0.16742%0.415CS..Hα-helixtrans-64.2-48176.1177.2-102.9000112.8D8 L9 L10 K14 A15 V16 L69 L73 L79D8-F12 VanDerWaalsContact O-CB 3.29Å; D8-F12 WeakPolarHBondContact O-CB 3.41Å; D8-F12 PolarHBondContact O-N 3.1Å; L9-F12 HydrophobicContact CD1-CD1 4.49Å; L9-F12 WeakPolarHBondContact O-CB 3.16Å; L9-F12 PolarHBondContact O-N 2.97Å; L10-F12 VanDerWaalsContact C-N 3.33Å; F12-K14 VanDerWaalsContact C-N 3.29Å; F12-K14 PolarHBondContact O-N 3.13Å; F12-A15 WeakPolarHBondContact O-CB 3.23Å; F12-A15 PolarHBondContact O-N 3.22Å; F12-V16 HydrophobicContact CE1-CG2 4.22Å; F12-V16 HydrophobicContact CE2-CG2 4.18Å; F12-V16 HydrophobicContact CZ-CG2 4.01Å; F12-V16 WeakPolarHBondContact O-CG2 3.29Å; F12-V16 PolarHBondContact O-N 3.04Å; F12-L69 HydrophobicContact CD1-CD2 4.43Å; F12-L69 HydrophobicContact CE1-CD2 4.11Å; F12-L69 HydrophobicContact CE1-CG 4.3Å; F12-L73 HydrophobicContact CD1-CD1 4.49Å; F12-L73 HydrophobicContact CE1-CD1 3.16Å; F12-L73 HydrophobicContact CE2-CD1 4.49Å; F12-L73 HydrophobicContact CZ-CB 4.1Å; F12-L73 HydrophobicContact CZ-CD1 3.16Å; F12-L73 HydrophobicContact CZ-CG 4.23Å; F12-L79 HydrophobicContact CE2-CD1 3.89Å; F12-L79 HydrophobicContact CE2-CD2 4.04Å; F12-L79 HydrophobicContact CE2-CG 4.01Å; F12-L79 HydrophobicContact CZ-CD1 4.17Å
13L59.9Low53.6Low14 Ų1482.2 Ų82.27%0.07341%0.412CS..Hα-helixtrans-58.9-41.6176.7-71.7175.1000112.3L9 A15 V16 K18 Y20 L39L9-L13 HydrophobicContact CD1-CG 4.45Å; L9-L13 HydrophobicContact CG-CD1 4.25Å; L9-L13 HydrophobicContact CG-CG 4.47Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.29Å; L9-L13 PolarHBondContact O-N 2.65Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.4Å; L13-V16 PolarHBondContact O-N 3.05Å; L13-K18 CarbonylContact C-O 3.55Å; L13-K18 CarbonylContact O-C 3.59Å; L13-K18 PolarHBondContact O-N 2.93Å; L13-K18 VanDerWaalsContact O-N 3.16Å; L13-K18 VanDerWaalsContact O-O 3.13Å; L13-Y20 HydrophobicContact CD1-CD2 4.38Å; L13-Y20 HydrophobicContact CD2-CD2 4.46Å; L13-Y20 HydrophobicContact CD2-CE2 4.33Å; L13-L39 HydrophobicContact CD1-CD2 4.46Å; L13-L39 HydrophobicContact CD2-CD1 3.49Å; L13-L39 VanDerWaalsContact CD2-CD1 3.49Å; L13-L39 HydrophobicContact CD2-CD2 3.67Å; L13-L39 HydrophobicContact CD2-CG 4.23Å
14K61.1Low53.8Low140 Ų14079.3 Ų79.361%0.60941%0.405SS*.Hα-helixtrans-60.8-41.8173.2-77.2177.3178.1-176.90111.9L10 S11 F12 V16 G17L10-K14 WeakPolarHBondContact O-CB 3.22Å; L10-K14 VanDerWaalsContact O-CG 3.31Å; L10-K14 WeakPolarHBondContact O-CG 3.28Å; L10-K14 PolarHBondContact O-N 3.3Å; L10-K14 VanDerWaalsContact O-N 3.07Å; S11-K14 PolarHBondContact O-N 2.9Å; F12-K14 VanDerWaalsContact C-N 3.29Å; F12-K14 PolarHBondContact O-N 3.13Å; K14-V16 VanDerWaalsContact C-N 3.33Å; K14-V16 PolarHBondContact O-N 3.4Å; K14-G17 PolarHBondContact O-N 3.34Å; K14-G17 VanDerWaalsContact O-N 3.11Å
15A58.5Low53.5Low50 Ų5080 Ų8041%0.41341%0.408SS..Hα-helixtrans-65.8-34.5-179.100000112.5S11 F12 L13 G17 I82S11-A15 WeakPolarHBondContact O-CB 3.48Å; S11-A15 PolarHBondContact O-N 3.43Å; F12-A15 WeakPolarHBondContact O-CB 3.23Å; F12-A15 PolarHBondContact O-N 3.22Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.4Å; A15-G17 PolarHBondContact O-N 2.81Å; A15-G17 VanDerWaalsContact O-N 3.1Å; A15-I82 VanDerWaalsContact C-CD1 3.44Å; A15-I82 HydrophobicContact CB-CD1 3.79Å; A15-I82 HydrophobicContact CB-CG1 4.23Å; A15-I82 HydrophobicContact CB-CG2 3.78Å; A15-I82 WeakPolarHBondContact O-CD1 3.31Å; A15-I82 WeakPolarHBondContact O-CG1 3.47Å
16V55.6Low53.2Low24 Ų2479 Ų7915%0.14540%0.399CS..THydrogen-bonded Turntrans-76.412.5174.4-170.70000112.1F12 L13 K14 K18 I82F12-V16 HydrophobicContact CE1-CG2 4.22Å; F12-V16 HydrophobicContact CE2-CG2 4.18Å; F12-V16 HydrophobicContact CZ-CG2 4.01Å; F12-V16 WeakPolarHBondContact O-CG2 3.29Å; F12-V16 PolarHBondContact O-N 3.04Å; L13-V16 PolarHBondContact O-N 3.05Å; K14-V16 VanDerWaalsContact C-N 3.33Å; K14-V16 PolarHBondContact O-N 3.4Å; V16-K18 HydrophobicContact CG1-CG 4.48Å; V16-K18 PolarHBondContact O-N 3.47Å; V16-K18 VanDerWaalsContact O-N 3.09Å; V16-I82 HydrophobicContact CB-CD1 4.27Å; V16-I82 HydrophobicContact CG2-CD1 3.53Å
17G51.3Low52.8Low64 Ų6479.1 Ų79.166%0.6641%0.405SS*.THydrogen-bonded Turntrans69.76.1178.800000114.1K14 A15 N19K14-G17 PolarHBondContact O-N 3.34Å; K14-G17 VanDerWaalsContact O-N 3.11Å; A15-G17 PolarHBondContact O-N 2.81Å; A15-G17 VanDerWaalsContact O-N 3.1Å; G17-N19 PolarHBondContact O-N 3.28Å; G17-N19 VanDerWaalsContact O-N 3.15Å
18K52.5Low52.2Low62 Ų6280.6 Ų80.627%0.2741%0.407SS..  trans-86.885174.9-59.1-66.4-176174.70107.7L13 V16 Y20 S46L13-K18 CarbonylContact C-O 3.55Å; L13-K18 CarbonylContact O-C 3.59Å; L13-K18 PolarHBondContact O-N 2.93Å; L13-K18 VanDerWaalsContact O-N 3.16Å; L13-K18 VanDerWaalsContact O-O 3.13Å; V16-K18 HydrophobicContact CG1-CG 4.48Å; V16-K18 PolarHBondContact O-N 3.47Å; V16-K18 VanDerWaalsContact O-N 3.09Å; K18-Y20 HydrophobicContact CB-CD2 3.71Å; K18-Y20 HydrophobicContact CB-CE2 3.54Å; K18-Y20 HydrophobicContact CG-CE2 4.2Å; K18-Y20 PolarHBondContact O-N 3.09Å; K18-S46 PolarHBondContact NZ-OG 3.14Å
19N51.2Low51.7Low128 Ų12884.3 Ų84.368%0.68443%0.427SS*.  trans-73.871.8172.3-166.223.2000109.4G17 E21G17-N19 PolarHBondContact O-N 3.28Å; G17-N19 VanDerWaalsContact O-N 3.15Å; N19-E21 PolarHBondContact O-N 3.12Å
20Y51.4Low51.1Low79 Ų7991.3 Ų91.331%0.3146%0.464SS..  trans-67121.9167.4-72.9-84.8000107.1L13 K18 S22 L39L13-Y20 HydrophobicContact CD1-CD2 4.38Å; L13-Y20 HydrophobicContact CD2-CD2 4.46Å; L13-Y20 HydrophobicContact CD2-CE2 4.33Å; K18-Y20 HydrophobicContact CB-CD2 3.71Å; K18-Y20 HydrophobicContact CB-CE2 3.54Å; K18-Y20 HydrophobicContact CG-CE2 4.2Å; K18-Y20 PolarHBondContact O-N 3.09Å; Y20-S22 WeakPolarHBondContact CB-OG 3.43Å; Y20-S22 PolarHBondContact O-N 3.41Å; Y20-S22 PolarHBondContact O-OG 3.27Å; Y20-L39 HydrophobicContact CE2-CD1 3.53Å; Y20-L39 WeakPolarHBondContact OH-CD1 3.26Å
21E47.8Very low50.7Low177 Ų17792.8 Ų92.883%0.82747%0.47SS*.  trans-68.938.4164.5-64.5-167.2150.500110.8N19 R23N19-E21 PolarHBondContact O-N 3.12Å; E21-R23 VanDerWaalsContact C-N 3.26Å; E21-R23 PolarHBondContact O-N 2.91Å; E21-R23 VanDerWaalsContact O-N 3.13Å
22S46Very low50Low7 Ų791.5 Ų91.55%0.04946%0.456CS..THydrogen-bonded Turntrans-84.922.8-163.949.80000114.5Y20 N24 F25 L26Y20-S22 WeakPolarHBondContact CB-OG 3.43Å; Y20-S22 PolarHBondContact O-N 3.41Å; Y20-S22 PolarHBondContact O-OG 3.27Å; S22-N24 PolarHBondContact O-N 3.4Å; S22-F25 PolarHBondContact O-N 3.43Å; S22-F25 VanDerWaalsContact O-N 3.09Å; S22-L26 PolarHBondContact O-N 2.78Å; S22-L26 VanDerWaalsContact O-N 3.15Å
23R39.6Very low49.6Very low206 Ų20693.3 Ų93.378%0.77747%0.473SS*.THydrogen-bonded Turntrans-54.9-39.6164.2-92.7-173.1177.3160.7-0.9110.3E21 E27E21-R23 VanDerWaalsContact C-N 3.26Å; E21-R23 PolarHBondContact O-N 2.91Å; E21-R23 VanDerWaalsContact O-N 3.13Å; R23-E27 VanDerWaalsContact O-CG 3.31Å; R23-E27 WeakPolarHBondContact O-CG 3.29Å
24N43.6Very low49.1Very low125 Ų12595.5 Ų95.567%0.66849%0.489SS*.THydrogen-bonded Turntrans-76.2-25.2176.6-67.3-11.8000113.8S22S22-N24 PolarHBondContact O-N 3.4Å
25F44.6Very low48.8Very low105 Ų10589.8 Ų89.846%0.46147%0.467SS..THydrogen-bonded Turntrans-80-32.1-176-95.2-94.8000112.4S22 V35S22-F25 PolarHBondContact O-N 3.43Å; S22-F25 VanDerWaalsContact O-N 3.09Å; F25-V35 HydrophobicContact CB-CG2 4.32Å; F25-V35 HydrophobicContact CD1-CG2 4.1Å; F25-V35 WeakPolarHBondContact O-CG2 3.36Å
26L45.3Very low48.7Very low27 Ų2787.8 Ų87.814%0.14145%0.449CS..SBendtrans-91.2-7.3-179.2-67172.6000114R6 L10 S22 K28 V35R6-L26 HydrophobicContact CG-CD1 4.06Å; L10-L26 HydrophobicContact CD1-CD1 4.02Å; L10-L26 HydrophobicContact CD2-CD1 3.47Å; L10-L26 VanDerWaalsContact CD2-CD1 3.47Å; L10-L26 HydrophobicContact CG-CD1 3.58Å; S22-L26 PolarHBondContact O-N 2.78Å; S22-L26 VanDerWaalsContact O-N 3.15Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-V35 HydrophobicContact CD2-CG1 3.92Å
27E44.7Very low48.7Very low130 Ų13088.6 Ų88.661%0.60746%0.456SS*.SBendtrans-81.9-7.1-174.8-89.5-179176.500114.6R23R23-E27 VanDerWaalsContact O-CG 3.31Å; R23-E27 WeakPolarHBondContact O-CG 3.29Å
28K45Very low49.1Very low119 Ų11989.2 Ų89.252%0.51744%0.444SS..  trans-100.5102.8172.4-75.5172.5176.3173.10109.3L26 N30 E31L26-K28 VanDerWaalsContact C-N 3.33Å; K28-N30 PolarHBondContact O-N 2.89Å; K28-E31 HydrophobicContact CB-CB 3.88Å; K28-E31 HydrophobicContact CB-CG 3.86Å; K28-E31 HydrophobicContact CD-CG 3.97Å; K28-E31 WeakPolarHBondContact CD-OE1 3.09Å; K28-E31 WeakPolarHBondContact CD-OE2 3.37Å; K28-E31 WeakPolarHBondContact CE-OE1 3.46Å; K28-E31 IonicContact NZ-OE1 2.71Å; K28-E31 PolarHBondContact NZ-OE1 2.95Å; K28-E31 IonicContact NZ-OE2 3.67Å; K28-E31 PolarHBondContact O-N 3.27Å
29D46.8Very low49.6Very low159 Ų15986.7 Ų86.785%0.8543%0.434SS*.THydrogen-bonded Turntrans-53.7-14.5173.5-85.1-28.3000113.8
30N46Very low50Low157 Ų15780.6 Ų80.684%0.8440%0.401SS*.THydrogen-bonded Turntrans-96.5-8.6173.4-76.1-13.1000114.8K28K28-N30 PolarHBondContact O-N 2.89Å
31E50Low50.4Low64 Ų6482.1 Ų82.130%0.29941%0.409SS..THydrogen-bonded Turntrans-104.61.8-178.4-72.3-178.1-174.700112.7K28 S33 S34 V35K28-E31 HydrophobicContact CB-CB 3.88Å; K28-E31 HydrophobicContact CB-CG 3.86Å; K28-E31 HydrophobicContact CD-CG 3.97Å; K28-E31 WeakPolarHBondContact CD-OE1 3.09Å; K28-E31 WeakPolarHBondContact CD-OE2 3.37Å; K28-E31 WeakPolarHBondContact CE-OE1 3.46Å; K28-E31 IonicContact NZ-OE1 2.71Å; K28-E31 PolarHBondContact NZ-OE1 2.95Å; K28-E31 IonicContact NZ-OE2 3.67Å; K28-E31 PolarHBondContact O-N 3.27Å; E31-S33 PolarHBondContact O-N 2.86Å; E31-S34 WeakPolarHBondContact O-CA 3.3Å; E31-S34 WeakPolarHBondContact O-CB 3.48Å; E31-S34 PolarHBondContact O-N 2.94Å; E31-V35 HydrophobicContact CB-CG2 4.39Å; E31-V35 VanDerWaalsContact O-CG2 3.23Å; E31-V35 WeakPolarHBondContact O-CG2 3.4Å; E31-V35 PolarHBondContact O-N 2.87Å
32F49.8Very low51Low47 Ų4777.4 Ų77.421%0.20639%0.387CS..Hα-helixtrans-52.1-44.1179.6-177.2-108.1000111.8S34 V35 V36 Y62 F65F32-S34 VanDerWaalsContact C-N 3.34Å; F32-S34 PolarHBondContact O-N 3.43Å; F32-V35 PolarHBondContact O-N 3.49Å; F32-V36 HydrophobicContact CD1-CG2 4.08Å; F32-V36 HydrophobicContact CD2-CG2 4.22Å; F32-V36 HydrophobicContact CE1-CG2 3.66Å; F32-V36 HydrophobicContact CE2-CG2 3.76Å; F32-V36 HydrophobicContact CG-CG2 4.34Å; F32-V36 HydrophobicContact CZ-CG2 3.48Å; F32-V36 VanDerWaalsContact CZ-CG2 3.48Å; F32-V36 WeakPolarHBondContact O-CB 3.37Å; F32-V36 WeakPolarHBondContact O-CG2 3.23Å; F32-V36 PolarHBondContact O-N 2.93Å; F32-Y62 HydrophobicContact CD1-CD2 4.47Å; F32-Y62 AromaticContact CD2-CD2 3.79Å; F32-Y62 HydrophobicContact CD2-CD2 3.79Å; F32-Y62 HydrophobicContact CD2-CE2 4.1Å; F32-Y62 AromaticContact CE1-CD2 3.82Å; F32-Y62 HydrophobicContact CE1-CD2 3.82Å; F32-Y62 HydrophobicContact CE1-CG 4.26Å; F32-Y62 AromaticContact CE2-CD2 3.04Å; F32-Y62 HydrophobicContact CE2-CD2 3.04Å; F32-Y62 AromaticContact CE2-CE2 3.25Å; F32-Y62 HydrophobicContact CE2-CE2 3.25Å; F32-Y62 HydrophobicContact CE2-CG 4.14Å; F32-Y62 HydrophobicContact CG-CD2 4.46Å; F32-Y62 AromaticContact CZ-CD2 3.04Å; F32-Y62 HydrophobicContact CZ-CD2 3.04Å; F32-Y62 AromaticContact CZ-CE2 3.64Å; F32-Y62 HydrophobicContact CZ-CE2 3.64Å; F32-Y62 AromaticContact CZ-CG 3.71Å; F32-Y62 HydrophobicContact CZ-CG 3.71Å; F32-F65 HydrophobicContact CE1-CB 4.27Å; F32-F65 HydrophobicContact CE1-CD1 4.44Å; F32-F65 HydrophobicContact CE1-CG 4.45Å; F32-F65 HydrophobicContact CE2-CD1 4.43Å; F32-F65 HydrophobicContact CZ-CB 4.21Å; F32-F65 AromaticContact CZ-CD1 3.67Å; F32-F65 HydrophobicContact CZ-CD1 3.67Å; F32-F65 HydrophobicContact CZ-CE1 4.45Å; F32-F65 HydrophobicContact CZ-CG 4.1Å
33S50.6Low51.6Low76 Ų7677.2 Ų77.253%0.53139%0.386SS..Hα-helixtrans-63.7-35.3175.757.20000113.7E31 S37E31-S33 PolarHBondContact O-N 2.86Å; S33-S37 VanDerWaalsContact O-CB 3.31Å; S33-S37 WeakPolarHBondContact O-CB 3.37Å; S33-S37 PolarHBondContact O-N 3.5Å; S33-S37 PolarHBondContact O-OG 2.79Å
34S50.5Low52.5Low59 Ų5967.6 Ų67.641%0.41335%0.35SS..Hα-helixtrans-70.3-44.8177.2-163.90000111E31 F32 V36 S37 D38E31-S34 WeakPolarHBondContact O-CA 3.3Å; E31-S34 WeakPolarHBondContact O-CB 3.48Å; E31-S34 PolarHBondContact O-N 2.94Å; F32-S34 VanDerWaalsContact C-N 3.34Å; F32-S34 PolarHBondContact O-N 3.43Å; S34-V36 VanDerWaalsContact C-N 3.34Å; S34-V36 PolarHBondContact O-N 2.75Å; S34-S37 PolarHBondContact O-N 3.17Å; S34-D38 WeakPolarHBondContact O-CB 3.41Å; S34-D38 VanDerWaalsContact O-CG 3.31Å; S34-D38 PolarHBondContact O-N 3.34Å
35V53.3Low53.2Low21 Ų2167.2 Ų67.213%0.12734%0.343CS..Hα-helixtrans-64.4-42179.3179.30000110.7F25 L26 E31 F32 L39F25-V35 HydrophobicContact CB-CG2 4.32Å; F25-V35 HydrophobicContact CD1-CG2 4.1Å; F25-V35 WeakPolarHBondContact O-CG2 3.36Å; L26-V35 HydrophobicContact CD2-CG1 3.92Å; E31-V35 HydrophobicContact CB-CG2 4.39Å; E31-V35 VanDerWaalsContact O-CG2 3.23Å; E31-V35 WeakPolarHBondContact O-CG2 3.4Å; E31-V35 PolarHBondContact O-N 2.87Å; F32-V35 PolarHBondContact O-N 3.49Å; V35-L39 WeakPolarHBondContact O-CB 3.45Å; V35-L39 PolarHBondContact O-N 3.39Å
36V57.4Low53.7Low7 Ų765.3 Ų65.34%0.04234%0.342CS..Hα-helixtrans-58-51172156.10000110.8F32 S34 D38 L39 V40 F65F32-V36 HydrophobicContact CD1-CG2 4.08Å; F32-V36 HydrophobicContact CD2-CG2 4.22Å; F32-V36 HydrophobicContact CE1-CG2 3.66Å; F32-V36 HydrophobicContact CE2-CG2 3.76Å; F32-V36 HydrophobicContact CG-CG2 4.34Å; F32-V36 HydrophobicContact CZ-CG2 3.48Å; F32-V36 VanDerWaalsContact CZ-CG2 3.48Å; F32-V36 WeakPolarHBondContact O-CB 3.37Å; F32-V36 WeakPolarHBondContact O-CG2 3.23Å; F32-V36 PolarHBondContact O-N 2.93Å; S34-V36 VanDerWaalsContact C-N 3.34Å; S34-V36 PolarHBondContact O-N 2.75Å; V36-D38 PolarHBondContact O-N 2.76Å; V36-L39 PolarHBondContact O-N 3.3Å; V36-V40 VanDerWaalsContact O-CG2 3.24Å; V36-V40 WeakPolarHBondContact O-CG2 3.26Å; V36-V40 PolarHBondContact O-N 3.19Å; V36-F65 HydrophobicContact CB-CD2 4.01Å; V36-F65 HydrophobicContact CB-CE1 4.4Å; V36-F65 HydrophobicContact CB-CE2 3.78Å; V36-F65 HydrophobicContact CB-CG 4.44Å; V36-F65 HydrophobicContact CB-CZ 3.95Å; V36-F65 HydrophobicContact CG1-CD2 3.24Å; V36-F65 HydrophobicContact CG1-CE2 3.13Å; V36-F65 HydrophobicContact CG1-CG 4.04Å; V36-F65 HydrophobicContact CG1-CZ 3.83Å; V36-F65 HydrophobicContact CG2-CD1 3.56Å; V36-F65 HydrophobicContact CG2-CD2 3.69Å; V36-F65 HydrophobicContact CG2-CE1 3.54Å; V36-F65 HydrophobicContact CG2-CE2 3.7Å; V36-F65 HydrophobicContact CG2-CG 3.61Å; V36-F65 HydrophobicContact CG2-CZ 3.59Å
37S55.3Low54Low42 Ų4266.4 Ų66.429%0.29435%0.347SS..Hα-helixtrans-63.2-44.8-177.9-61.10000111.5S33 S34 F41 T57S33-S37 VanDerWaalsContact O-CB 3.31Å; S33-S37 WeakPolarHBondContact O-CB 3.37Å; S33-S37 PolarHBondContact O-N 3.5Å; S33-S37 PolarHBondContact O-OG 2.79Å; S34-S37 PolarHBondContact O-N 3.17Å; S37-F41 WeakPolarHBondContact O-CB 3.31Å; S37-F41 PolarHBondContact O-N 3.07Å; S37-T57 WeakPolarHBondContact OG-CG2 3.45Å
38D60Low54.6Low77 Ų7767.2 Ų67.241%0.41236%0.355SS..Hα-helixtrans-64.8-43177.9-70.4-22.6000111.6S34 V36 F41 E42S34-D38 WeakPolarHBondContact O-CB 3.41Å; S34-D38 VanDerWaalsContact O-CG 3.31Å; S34-D38 PolarHBondContact O-N 3.34Å; V36-D38 PolarHBondContact O-N 2.76Å; D38-F41 PolarHBondContact O-N 3.25Å; D38-E42 WeakPolarHBondContact O-CB 3.49Å; D38-E42 VanDerWaalsContact O-CG 3.29Å; D38-E42 WeakPolarHBondContact O-CG 3.42Å; D38-E42 PolarHBondContact O-N 2.96Å
39L62.5Low54.9Low9 Ų962.2 Ų62.25%0.04733%0.334CS..Hα-helixtrans-62.8-48.6178174.965.6000111.5L13 Y20 V35 V36 F41 E42 L43 F65 L69L13-L39 HydrophobicContact CD1-CD2 4.46Å; L13-L39 HydrophobicContact CD2-CD1 3.49Å; L13-L39 VanDerWaalsContact CD2-CD1 3.49Å; L13-L39 HydrophobicContact CD2-CD2 3.67Å; L13-L39 HydrophobicContact CD2-CG 4.23Å; Y20-L39 HydrophobicContact CE2-CD1 3.53Å; Y20-L39 WeakPolarHBondContact OH-CD1 3.26Å; V35-L39 WeakPolarHBondContact O-CB 3.45Å; V35-L39 PolarHBondContact O-N 3.39Å; V36-L39 PolarHBondContact O-N 3.3Å; L39-F41 VanDerWaalsContact C-N 3.31Å; L39-F41 PolarHBondContact O-N 2.95Å; L39-E42 PolarHBondContact O-N 2.69Å; L39-L43 HydrophobicContact CD1-CD1 4.14Å; L39-L43 HydrophobicContact CD1-CG 4.37Å; L39-L43 HydrophobicContact CG-CD1 4.11Å; L39-L43 WeakPolarHBondContact O-CB 3.47Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 2.88Å; L39-F65 HydrophobicContact CD2-CZ 4.14Å; L39-L69 HydrophobicContact CD2-CD1 4.33Å; L39-L69 HydrophobicContact CD2-CD2 3.72Å
40V60.9Low55Low0 Ų060 Ų600%033%0.331CS..Hα-helixtrans-68.3-35.2179.6-176.40000110.8V36 L43 G44 V53 L56 F65 L69V36-V40 VanDerWaalsContact O-CG2 3.24Å; V36-V40 WeakPolarHBondContact O-CG2 3.26Å; V36-V40 PolarHBondContact O-N 3.19Å; V40-L43 PolarHBondContact O-N 3.41Å; V40-G44 PolarHBondContact O-N 2.96Å; V40-V53 HydrophobicContact CB-CG1 3.92Å; V40-V53 HydrophobicContact CG1-CB 3.93Å; V40-V53 HydrophobicContact CG1-CG1 3.29Å; V40-V53 HydrophobicContact CG1-CG2 3.77Å; V40-L56 HydrophobicContact CB-CD1 4.38Å; V40-L56 HydrophobicContact CG1-CB 4.36Å; V40-L56 HydrophobicContact CG1-CD1 3.47Å; V40-L56 VanDerWaalsContact CG1-CD1 3.47Å; V40-L56 HydrophobicContact CG2-CB 4.09Å; V40-L56 HydrophobicContact CG2-CD1 3.85Å; V40-F65 HydrophobicContact CG2-CE2 3.64Å; V40-F65 HydrophobicContact CG2-CZ 4.1Å; V40-L69 HydrophobicContact CG2-CD1 4.39Å
41F59.4Low54.9Low110 Ų11056.6 Ų56.648%0.48232%0.32SS..Hα-helixtrans-65.2-44.7175.2-175.8-113.8000112.4S37 D38 L39 G44 K45S37-F41 WeakPolarHBondContact O-CB 3.31Å; S37-F41 PolarHBondContact O-N 3.07Å; D38-F41 PolarHBondContact O-N 3.25Å; L39-F41 VanDerWaalsContact C-N 3.31Å; L39-F41 PolarHBondContact O-N 2.95Å; F41-G44 PolarHBondContact O-N 2.97Å; F41-K45 HydrophobicContact CD1-CD 4.38Å; F41-K45 HydrophobicContact CE1-CD 4.18Å; F41-K45 VanDerWaalsContact CZ-CE 3.45Å; F41-K45 WeakPolarHBondContact O-CG 3.31Å; F41-K45 PolarHBondContact O-N 3.36Å
42E60.2Low55Low79 Ų7958.7 Ų58.737%0.36933%0.333SS..Hα-helixtrans-68.7-35.3177.2-72.3-60.5128.600112.3D38 L39 K45 S46D38-E42 WeakPolarHBondContact O-CB 3.49Å; D38-E42 VanDerWaalsContact O-CG 3.29Å; D38-E42 WeakPolarHBondContact O-CG 3.42Å; D38-E42 PolarHBondContact O-N 2.96Å; L39-E42 PolarHBondContact O-N 2.69Å; E42-K45 IonicContact OE1-NZ 2.78Å; E42-K45 PolarHBondContact OE1-NZ 3.48Å; E42-S46 WeakPolarHBondContact O-CB 3.24Å; E42-S46 PolarHBondContact O-N 2.92Å; E42-S46 PolarHBondContact O-OG 3.39Å
43L58.8Low55Low3 Ų357.9 Ų57.92%0.01633%0.332CS..Hα-helixtrans-65.5-43.6169.9-73.2172.5000111.2L39 V40 K45 S46 H47 L69 F72 L73L39-L43 HydrophobicContact CD1-CD1 4.14Å; L39-L43 HydrophobicContact CD1-CG 4.37Å; L39-L43 HydrophobicContact CG-CD1 4.11Å; L39-L43 WeakPolarHBondContact O-CB 3.47Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 2.88Å; V40-L43 PolarHBondContact O-N 3.41Å; L43-K45 PolarHBondContact O-N 2.88Å; L43-S46 PolarHBondContact O-N 2.94Å; L43-H47 PolarHBondContact O-CD2 2.71Å; L43-H47 VanDerWaalsContact O-CD2 3.29Å; L43-H47 PolarHBondContact O-N 3.48Å; L43-H47 VanDerWaalsContact O-N 3.13Å; L43-L69 HydrophobicContact CD1-CD1 3.51Å; L43-F72 HydrophobicContact CB-CE1 4.04Å; L43-L73 HydrophobicContact CD1-CD1 4.19Å; L43-L73 HydrophobicContact CD1-CD2 4.08Å; L43-L73 HydrophobicContact CD1-CG 4.43Å; L43-L73 HydrophobicContact CD2-CD2 3.97Å
44G57.5Low54.9Low3 Ų363 Ų633%0.03134%0.341CS..Hα-helixtrans-60.9-43.3177.200000112.3V40 F41 H47 D48 V49V40-G44 PolarHBondContact O-N 2.96Å; F41-G44 PolarHBondContact O-N 2.97Å; G44-H47 PolarHBondContact O-N 3.5Å; G44-D48 PolarHBondContact O-N 3.1Å; G44-V49 PolarHBondContact O-N 3.09Å
45K57.8Low54.9Low118 Ų11864 Ų6451%0.51335%0.346SS..Hα-helixtrans-61.7-43.6171.9-76.4177.1179.2164.90113.2F41 E42 L43 H47 D48F41-K45 HydrophobicContact CD1-CD 4.38Å; F41-K45 HydrophobicContact CE1-CD 4.18Å; F41-K45 VanDerWaalsContact CZ-CE 3.45Å; F41-K45 WeakPolarHBondContact O-CG 3.31Å; F41-K45 PolarHBondContact O-N 3.36Å; E42-K45 IonicContact OE1-NZ 2.78Å; E42-K45 PolarHBondContact OE1-NZ 3.48Å; L43-K45 PolarHBondContact O-N 2.88Å; K45-H47 PolarHBondContact O-N 3.21Å; K45-D48 PolarHBondContact O-N 3.37Å
46S56.7Low54.9Low64 Ų6463.7 Ų63.745%0.44834%0.344SS..Hα-helixtrans-63.2-26.5-177.8-60.10000112K18 E42 L43K18-S46 PolarHBondContact NZ-OG 3.14Å; E42-S46 WeakPolarHBondContact O-CB 3.24Å; E42-S46 PolarHBondContact O-N 2.92Å; E42-S46 PolarHBondContact O-OG 3.39Å; L43-S46 PolarHBondContact O-N 2.94Å
47H51.8Low54.5Low51 Ų5165.4 Ų65.424%0.23635%0.354CS..THydrogen-bonded Turntrans-110.912.4-174.4-74.4-71.9000114.5L43 G44 K45 V49 Y76 E78L43-H47 PolarHBondContact O-CD2 2.71Å; L43-H47 VanDerWaalsContact O-CD2 3.29Å; L43-H47 PolarHBondContact O-N 3.48Å; L43-H47 VanDerWaalsContact O-N 3.13Å; G44-H47 PolarHBondContact O-N 3.5Å; K45-H47 PolarHBondContact O-N 3.21Å; H47-V49 HydrophobicContact CB-CG2 3.6Å; H47-V49 WeakPolarHBondContact O-CG2 3.43Å; H47-V49 PolarHBondContact O-N 3.4Å; H47-V49 VanDerWaalsContact O-N 3.13Å; H47-Y76 HydrophobicContact CB-CD1 4.38Å; H47-E78 WeakPolarHBondContact CE1-CG 3.48Å; H47-E78 IonicContact CE1-OE1 3.04Å; H47-E78 PolarHBondContact CE1-OE1 3.16Å; H47-E78 IonicContact CE1-OE2 3.65Å; H47-E78 VanDerWaalsContact NE2-CG 3.29Å; H47-E78 WeakPolarHBondContact NE2-CG 3.44Å; H47-E78 IonicContact NE2-OE1 3.22Å; H47-E78 PolarHBondContact NE2-OE1 3.09Å; H47-E78 IonicContact NE2-OE2 2.97Å; H47-E78 PolarHBondContact NE2-OE2 3.11Å
48D55.9Low54.3Low146 Ų14668.8 Ų68.878%0.78137%0.369SS*.THydrogen-bonded Turntrans52.130.6-173.8-160.825.3000113.5G44 K45 S50G44-D48 PolarHBondContact O-N 3.1Å; K45-D48 PolarHBondContact O-N 3.37Å; D48-S50 PolarHBondContact O-N 3.02Å
49V51.8Low54Low14 Ų1468.5 Ų68.59%0.08537%0.365CS..  trans-8886.9178.4-172.60000108.2G44 H47 S51 F72 Y76G44-V49 PolarHBondContact O-N 3.09Å; H47-V49 HydrophobicContact CB-CG2 3.6Å; H47-V49 WeakPolarHBondContact O-CG2 3.43Å; H47-V49 PolarHBondContact O-N 3.4Å; H47-V49 VanDerWaalsContact O-N 3.13Å; V49-S51 VanDerWaalsContact C-N 3.31Å; V49-S51 PolarHBondContact O-N 2.9Å; V49-F72 HydrophobicContact CG1-CE2 4.26Å; V49-F72 HydrophobicContact CG1-CZ 4.42Å; V49-F72 HydrophobicContact CG2-CZ 4.27Å; V49-Y76 WeakPolarHBondContact CG1-OH 3.17Å; V49-Y76 HydrophobicContact CG2-CD1 4.03Å; V49-Y76 HydrophobicContact CG2-CE1 3.27Å; V49-Y76 HydrophobicContact CG2-CE2 4.03Å; V49-Y76 WeakPolarHBondContact CG2-OH 3.45Å
50S49.4Very low53.4Low112 Ų11278.3 Ų78.378%0.78340%0.403SS*.  trans-78.3-6.5-179.657.10000114.8D48D48-S50 PolarHBondContact O-N 3.02Å
51S44Very low53.1Low86 Ų8684.4 Ų84.460%0.60143%0.431SS*.SBendtrans-140.40.4-152.643.80000119.9V49V49-S51 VanDerWaalsContact C-N 3.31Å; V49-S51 PolarHBondContact O-N 2.9Å
52N50.6Low52.7Low109 Ų10981.7 Ų81.758%0.58342%0.419SS*.  trans-140.129.3-174.8-83.4-27.3000116.4P55N52-P55 WeakPolarHBondContact O-CD 3.31Å
53V50.7Low52.2Low29 Ų2979.1 Ų79.118%0.17641%0.411CS..  trans-81.3-26.1-176.2167.90000113.9V40 L56V40-V53 HydrophobicContact CB-CG1 3.92Å; V40-V53 HydrophobicContact CG1-CB 3.93Å; V40-V53 HydrophobicContact CG1-CG1 3.29Å; V40-V53 HydrophobicContact CG1-CG2 3.77Å; V53-L56 PolarHBondContact O-N 2.89Å; V53-L56 VanDerWaalsContact O-N 3.1Å
54Y47.8Very low52.2Low184 Ų18481.2 Ų81.272%0.72242%0.422SS*.Hα-helixtrans-53.5-35.1-176.8-81.8-82.1000116.7L56 T57 D58Y54-L56 PolarHBondContact O-N 3.38Å; Y54-T57 PolarHBondContact O-N 2.85Å; Y54-T57 PolarHBondContact O-OG1 3.02Å; Y54-D58 PolarHBondContact O-N 3.06Å
55P52.1Low52.3Low81 Ų8181.1 Ų81.153%0.52642%0.421SS..Hα-helixtrans-64.2-23.6179-19.932.3000113.8N52N52-P55 WeakPolarHBondContact O-CD 3.31Å
56L51.5Low52.3Low13 Ų1376 Ų767%0.06840%0.4CS..Hα-helixtrans-84.3-24.5-177.9-66.1169000112.3V40 V53 Y54 F72V40-L56 HydrophobicContact CB-CD1 4.38Å; V40-L56 HydrophobicContact CG1-CB 4.36Å; V40-L56 HydrophobicContact CG1-CD1 3.47Å; V40-L56 VanDerWaalsContact CG1-CD1 3.47Å; V40-L56 HydrophobicContact CG2-CB 4.09Å; V40-L56 HydrophobicContact CG2-CD1 3.85Å; V53-L56 PolarHBondContact O-N 2.89Å; V53-L56 VanDerWaalsContact O-N 3.1Å; Y54-L56 PolarHBondContact O-N 3.38Å; L56-F72 HydrophobicContact CD1-CB 4.22Å; L56-F72 HydrophobicContact CD1-CD2 4.13Å; L56-F72 HydrophobicContact CD1-CG 4.22Å
57T50.4Low52.6Low43 Ų4374.5 Ų74.526%0.26439%0.39SS..Hα-helixtrans-87.8-20.8-178.353.10000113.4S37 Y54 E59S37-T57 WeakPolarHBondContact OG-CG2 3.45Å; Y54-T57 PolarHBondContact O-N 2.85Å; Y54-T57 PolarHBondContact O-OG1 3.02Å; T57-E59 VanDerWaalsContact C-N 3.28Å
58D50.6Low53.2Low114 Ų11472.6 Ų72.661%0.6138%0.384SS*.SBendtrans-80.6-8.3175.9-77.6-14000113.1Y54 Y60Y54-D58 PolarHBondContact O-N 3.06Å; D58-Y60 WeakPolarHBondContact O-CD2 3.24Å; D58-Y60 PolarHBondContact O-N 2.99Å
59E52.9Low53.6Low70 Ų7065.7 Ų65.733%0.32735%0.347SS..  trans-84.688.8177.7-70.4-174.2163.100110.8T57 E61 N64 F65T57-E59 VanDerWaalsContact C-N 3.28Å; E59-E61 PolarHBondContact O-N 3.5Å; E59-E61 VanDerWaalsContact O-N 3.14Å; E59-N64 HydrophobicContact CB-CB 3.88Å; E59-N64 VanDerWaalsContact CD-CB 3.49Å; E59-N64 HydrophobicContact CG-CB 3.93Å; E59-N64 WeakPolarHBondContact OE2-CA 3.39Å; E59-N64 VanDerWaalsContact OE2-CB 3.3Å; E59-N64 WeakPolarHBondContact OE2-CB 3.43Å; E59-F65 WeakPolarHBondContact OE2-CA 3.41Å; E59-F65 PolarHBondContact OE2-N 3.2Å; E59-F65 VanDerWaalsContact OE2-N 3.07Å
60Y51.1Low54Low216 Ų21668 Ų6885%0.84736%0.357SS*.  trans-62.1-16.8177.3-70.8-84000114.4D58D58-Y60 WeakPolarHBondContact O-CD2 3.24Å; D58-Y60 PolarHBondContact O-N 2.99Å
61E54.3Low54.7Low127 Ų12769.4 Ų69.459%0.59335%0.349SS*.SBendtrans-98.1120.9178.3-64.5-170.6167.500111.1E59 A63 N64 F65E59-E61 PolarHBondContact O-N 3.5Å; E59-E61 VanDerWaalsContact O-N 3.14Å; E61-A63 PolarHBondContact O-N 3.18Å; E61-N64 WeakPolarHBondContact O-CB 3.39Å; E61-N64 PolarHBondContact O-N 3.42Å; E61-N64 PolarHBondContact OE2-ND2 3.33Å; E61-F65 PolarHBondContact O-N 2.82Å; E61-F65 VanDerWaalsContact O-N 3.09Å
62Y50.9Low55.6Low54 Ų5466.1 Ų66.121%0.21232%0.324CS..Hα-helixtrans-44-39.7176.2-177.4-78.5000114.3K4 S5 R6 L9 F32 N64 F65 A66K4-Y62 WeakPolarHBondContact O-CE1 3.46Å; S5-Y62 PolarHBondContact O-OH 2.88Å; R6-Y62 WeakPolarHBondContact CA-OH 3.29Å; L9-Y62 WeakPolarHBondContact CB-OH 3.45Å; L9-Y62 HydrophobicContact CD2-CE2 4Å; L9-Y62 WeakPolarHBondContact CD2-OH 3.44Å; F32-Y62 HydrophobicContact CD1-CD2 4.47Å; F32-Y62 AromaticContact CD2-CD2 3.79Å; F32-Y62 HydrophobicContact CD2-CD2 3.79Å; F32-Y62 HydrophobicContact CD2-CE2 4.1Å; F32-Y62 AromaticContact CE1-CD2 3.82Å; F32-Y62 HydrophobicContact CE1-CD2 3.82Å; F32-Y62 HydrophobicContact CE1-CG 4.26Å; F32-Y62 AromaticContact CE2-CD2 3.04Å; F32-Y62 HydrophobicContact CE2-CD2 3.04Å; F32-Y62 AromaticContact CE2-CE2 3.25Å; F32-Y62 HydrophobicContact CE2-CE2 3.25Å; F32-Y62 HydrophobicContact CE2-CG 4.14Å; F32-Y62 HydrophobicContact CG-CD2 4.46Å; F32-Y62 AromaticContact CZ-CD2 3.04Å; F32-Y62 HydrophobicContact CZ-CD2 3.04Å; F32-Y62 AromaticContact CZ-CE2 3.64Å; F32-Y62 HydrophobicContact CZ-CE2 3.64Å; F32-Y62 AromaticContact CZ-CG 3.71Å; F32-Y62 HydrophobicContact CZ-CG 3.71Å; Y62-N64 VanDerWaalsContact C-N 3.34Å; Y62-F65 PolarHBondContact O-N 3.3Å; Y62-A66 HydrophobicContact CE1-CB 4.35Å; Y62-A66 WeakPolarHBondContact O-CB 3.04Å; Y62-A66 PolarHBondContact O-N 3.48Å
63A50.7Low56Low25 Ų2561 Ų6121%0.20730%0.296CS..Hα-helixtrans-67.6-35.7-178.500000112.6E61 S67E61-A63 PolarHBondContact O-N 3.18Å; A63-S67 WeakPolarHBondContact O-CB 3.14Å; A63-S67 PolarHBondContact O-N 3.07Å
64N58.8Low56.4Low47 Ų4764.5 Ų64.525%0.25131%0.313SS..Hα-helixtrans-70.5-50.1174.6-63.3-24.6000108.2E59 E61 Y62 A66 S67 G68E59-N64 HydrophobicContact CB-CB 3.88Å; E59-N64 VanDerWaalsContact CD-CB 3.49Å; E59-N64 HydrophobicContact CG-CB 3.93Å; E59-N64 WeakPolarHBondContact OE2-CA 3.39Å; E59-N64 VanDerWaalsContact OE2-CB 3.3Å; E59-N64 WeakPolarHBondContact OE2-CB 3.43Å; E61-N64 WeakPolarHBondContact O-CB 3.39Å; E61-N64 PolarHBondContact O-N 3.42Å; E61-N64 PolarHBondContact OE2-ND2 3.33Å; Y62-N64 VanDerWaalsContact C-N 3.34Å; N64-A66 VanDerWaalsContact C-N 3.34Å; N64-A66 PolarHBondContact O-N 3.38Å; N64-S67 CarbonylContact O-C 3.51Å; N64-S67 WeakPolarHBondContact O-CA 3.23Å; N64-S67 WeakPolarHBondContact O-CB 3.09Å; N64-S67 PolarHBondContact O-N 2.87Å; N64-G68 PolarHBondContact O-N 3.48Å
65F59.6Low57Low1 Ų159.8 Ų59.80%0.00431%0.307CS..Hα-helixtrans-52.7-49.6178170.9-100.2000112.6F32 V36 L39 V40 E59 E61 Y62 S67 G68 L69F32-F65 HydrophobicContact CE1-CB 4.27Å; F32-F65 HydrophobicContact CE1-CD1 4.44Å; F32-F65 HydrophobicContact CE1-CG 4.45Å; F32-F65 HydrophobicContact CE2-CD1 4.43Å; F32-F65 HydrophobicContact CZ-CB 4.21Å; F32-F65 AromaticContact CZ-CD1 3.67Å; F32-F65 HydrophobicContact CZ-CD1 3.67Å; F32-F65 HydrophobicContact CZ-CE1 4.45Å; F32-F65 HydrophobicContact CZ-CG 4.1Å; V36-F65 HydrophobicContact CB-CD2 4.01Å; V36-F65 HydrophobicContact CB-CE1 4.4Å; V36-F65 HydrophobicContact CB-CE2 3.78Å; V36-F65 HydrophobicContact CB-CG 4.44Å; V36-F65 HydrophobicContact CB-CZ 3.95Å; V36-F65 HydrophobicContact CG1-CD2 3.24Å; V36-F65 HydrophobicContact CG1-CE2 3.13Å; V36-F65 HydrophobicContact CG1-CG 4.04Å; V36-F65 HydrophobicContact CG1-CZ 3.83Å; V36-F65 HydrophobicContact CG2-CD1 3.56Å; V36-F65 HydrophobicContact CG2-CD2 3.69Å; V36-F65 HydrophobicContact CG2-CE1 3.54Å; V36-F65 HydrophobicContact CG2-CE2 3.7Å; V36-F65 HydrophobicContact CG2-CG 3.61Å; V36-F65 HydrophobicContact CG2-CZ 3.59Å; L39-F65 HydrophobicContact CD2-CZ 4.14Å; V40-F65 HydrophobicContact CG2-CE2 3.64Å; V40-F65 HydrophobicContact CG2-CZ 4.1Å; E59-F65 WeakPolarHBondContact OE2-CA 3.41Å; E59-F65 PolarHBondContact OE2-N 3.2Å; E59-F65 VanDerWaalsContact OE2-N 3.07Å; E61-F65 PolarHBondContact O-N 2.82Å; E61-F65 VanDerWaalsContact O-N 3.09Å; Y62-F65 PolarHBondContact O-N 3.3Å; F65-S67 VanDerWaalsContact C-N 3.29Å; F65-S67 PolarHBondContact O-N 3.15Å; F65-G68 PolarHBondContact O-N 3.29Å; F65-L69 HydrophobicContact CE1-CB 4.31Å; F65-L69 HydrophobicContact CE1-CD2 3.92Å; F65-L69 HydrophobicContact CE2-CB 4.37Å; F65-L69 HydrophobicContact CZ-CB 4.08Å; F65-L69 HydrophobicContact CZ-CD1 4.34Å; F65-L69 HydrophobicContact CZ-CD2 3.92Å; F65-L69 HydrophobicContact CZ-CG 4.33Å; F65-L69 VanDerWaalsContact O-CB 3.31Å; F65-L69 WeakPolarHBondContact O-CB 3.31Å; F65-L69 PolarHBondContact O-N 3.37Å
66A57.9Low57.3Low9 Ų960.1 Ų60.17%0.07430%0.298CS..Hα-helixtrans-62.6-37.8179.600000111.7Y62 N64 E70Y62-A66 HydrophobicContact CE1-CB 4.35Å; Y62-A66 WeakPolarHBondContact O-CB 3.04Å; Y62-A66 PolarHBondContact O-N 3.48Å; N64-A66 VanDerWaalsContact C-N 3.34Å; N64-A66 PolarHBondContact O-N 3.38Å; A66-E70 VanDerWaalsContact O-CB 3.24Å; A66-E70 WeakPolarHBondContact O-CB 3.21Å; A66-E70 PolarHBondContact O-N 3.35Å
67S61.3Low57.3Low33 Ų3361.3 Ų61.323%0.23131%0.313CS..Hα-helixtrans-68.4-39.2174.5-171.80000112.2A63 N64 F65 K71A63-S67 WeakPolarHBondContact O-CB 3.14Å; A63-S67 PolarHBondContact O-N 3.07Å; N64-S67 CarbonylContact O-C 3.51Å; N64-S67 WeakPolarHBondContact O-CA 3.23Å; N64-S67 WeakPolarHBondContact O-CB 3.09Å; N64-S67 PolarHBondContact O-N 2.87Å; F65-S67 VanDerWaalsContact C-N 3.29Å; F65-S67 PolarHBondContact O-N 3.15Å; S67-K71 WeakPolarHBondContact O-CB 3.19Å; S67-K71 VanDerWaalsContact O-CG 3.26Å; S67-K71 WeakPolarHBondContact O-CG 3.29Å; S67-K71 PolarHBondContact O-N 3.36Å
68G64.3Low57.2Low11 Ų1161.4 Ų61.411%0.11331%0.311CS..Hα-helixtrans-65.7-45.1175.700000111.8N64 F65 K71 F72N64-G68 PolarHBondContact O-N 3.48Å; F65-G68 PolarHBondContact O-N 3.29Å; G68-K71 PolarHBondContact O-N 2.97Å; G68-F72 VanDerWaalsContact O-CB 3.29Å; G68-F72 WeakPolarHBondContact O-CB 3.47Å; G68-F72 PolarHBondContact O-N 3.4Å
69L65.1Low57Low1 Ų157.7 Ų57.71%0.00529%0.291CS..Hα-helixtrans-62.5-43.9175.9-178.468.6000111.6L9 F12 L39 V40 L43 F65 F72 L73L9-L69 HydrophobicContact CD1-CD2 3.75Å; F12-L69 HydrophobicContact CD1-CD2 4.43Å; F12-L69 HydrophobicContact CE1-CD2 4.11Å; F12-L69 HydrophobicContact CE1-CG 4.3Å; L39-L69 HydrophobicContact CD2-CD1 4.33Å; L39-L69 HydrophobicContact CD2-CD2 3.72Å; V40-L69 HydrophobicContact CG2-CD1 4.39Å; L43-L69 HydrophobicContact CD1-CD1 3.51Å; F65-L69 HydrophobicContact CE1-CB 4.31Å; F65-L69 HydrophobicContact CE1-CD2 3.92Å; F65-L69 HydrophobicContact CE2-CB 4.37Å; F65-L69 HydrophobicContact CZ-CB 4.08Å; F65-L69 HydrophobicContact CZ-CD1 4.34Å; F65-L69 HydrophobicContact CZ-CD2 3.92Å; F65-L69 HydrophobicContact CZ-CG 4.33Å; F65-L69 VanDerWaalsContact O-CB 3.31Å; F65-L69 WeakPolarHBondContact O-CB 3.31Å; F65-L69 PolarHBondContact O-N 3.37Å; L69-F72 WeakPolarHBondContact O-CB 3.44Å; L69-F72 PolarHBondContact O-N 2.93Å; L69-L73 HydrophobicContact CD1-CD1 3.93Å; L69-L73 HydrophobicContact CG-CD1 3.91Å; L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 WeakPolarHBondContact O-CG 3.33Å; L69-L73 PolarHBondContact O-N 2.8Å
70E60.6Low56.4Low64 Ų6461.6 Ų61.630%0.29931%0.309SS..Hα-helixtrans-61.1-47.9175-178.5171.4-149.100111K4 A66 F72 L73 I74 L79K4-E70 IonicContact NZ-OE1 2.88Å; K4-E70 PolarHBondContact NZ-OE1 3.24Å; K4-E70 IonicContact NZ-OE2 2.69Å; K4-E70 PolarHBondContact NZ-OE2 2.91Å; A66-E70 VanDerWaalsContact O-CB 3.24Å; A66-E70 WeakPolarHBondContact O-CB 3.21Å; A66-E70 PolarHBondContact O-N 3.35Å; E70-F72 VanDerWaalsContact C-N 3.34Å; E70-F72 PolarHBondContact O-N 3.36Å; E70-L73 PolarHBondContact O-N 3.06Å; E70-I74 HydrophobicContact CG-CD1 4.15Å; E70-I74 VanDerWaalsContact O-CG1 3.26Å; E70-I74 WeakPolarHBondContact O-CG1 3.02Å; E70-I74 PolarHBondContact O-N 3.23Å; E70-L79 HydrophobicContact CG-CD1 4.3Å
71K63.9Low55.8Low141 Ų14158 Ų5861%0.61330%0.303SS*.Hα-helixtrans-60.1-42.5174.8-75.2171.9-176.11720112.4S67 G68 I74 S75S67-K71 WeakPolarHBondContact O-CB 3.19Å; S67-K71 VanDerWaalsContact O-CG 3.26Å; S67-K71 WeakPolarHBondContact O-CG 3.29Å; S67-K71 PolarHBondContact O-N 3.36Å; G68-K71 PolarHBondContact O-N 2.97Å; K71-I74 PolarHBondContact O-N 3.45Å; K71-S75 WeakPolarHBondContact O-CB 3.22Å; K71-S75 PolarHBondContact O-N 3.26Å; K71-S75 PolarHBondContact O-OG 2.81Å
72F62.3Low55.1Low17 Ų1754.8 Ų54.88%0.07529%0.29CS..Hα-helixtrans-58.1-52.4176.3-179.8-90.9000109.7L43 V49 L56 G68 L69 E70 I74 S75 Y76L43-F72 HydrophobicContact CB-CE1 4.04Å; V49-F72 HydrophobicContact CG1-CE2 4.26Å; V49-F72 HydrophobicContact CG1-CZ 4.42Å; V49-F72 HydrophobicContact CG2-CZ 4.27Å; L56-F72 HydrophobicContact CD1-CB 4.22Å; L56-F72 HydrophobicContact CD1-CD2 4.13Å; L56-F72 HydrophobicContact CD1-CG 4.22Å; G68-F72 VanDerWaalsContact O-CB 3.29Å; G68-F72 WeakPolarHBondContact O-CB 3.47Å; G68-F72 PolarHBondContact O-N 3.4Å; L69-F72 WeakPolarHBondContact O-CB 3.44Å; L69-F72 PolarHBondContact O-N 2.93Å; E70-F72 VanDerWaalsContact C-N 3.34Å; E70-F72 PolarHBondContact O-N 3.36Å; F72-I74 PolarHBondContact O-N 2.8Å; F72-S75 PolarHBondContact O-N 2.71Å; F72-S75 PolarHBondContact O-OG 2.93Å; F72-Y76 HydrophobicContact CD1-CD2 4.07Å; F72-Y76 HydrophobicContact CD1-CE2 4.47Å; F72-Y76 HydrophobicContact CD2-CD2 4.04Å; F72-Y76 AromaticContact CD2-CE2 3.66Å; F72-Y76 HydrophobicContact CD2-CE2 3.66Å; F72-Y76 AromaticContact CE1-CD2 3.86Å; F72-Y76 HydrophobicContact CE1-CD2 3.86Å; F72-Y76 HydrophobicContact CE1-CE2 4.14Å; F72-Y76 AromaticContact CE2-CD2 3.85Å; F72-Y76 HydrophobicContact CE2-CD2 3.85Å; F72-Y76 AromaticContact CE2-CE2 3.29Å; F72-Y76 HydrophobicContact CE2-CE2 3.29Å; F72-Y76 HydrophobicContact CG-CD2 4.15Å; F72-Y76 HydrophobicContact CG-CE2 4.24Å; F72-Y76 AromaticContact CZ-CD2 3.75Å; F72-Y76 HydrophobicContact CZ-CD2 3.75Å; F72-Y76 AromaticContact CZ-CE2 3.55Å; F72-Y76 HydrophobicContact CZ-CE2 3.55Å; F72-Y76 VanDerWaalsContact O-CD2 3.23Å; F72-Y76 WeakPolarHBondContact O-CD2 3.04Å; F72-Y76 PolarHBondContact O-N 3.04Å; F72-Y76 VanDerWaalsContact O-N 3.13Å
73L59.5Low54.6Low1 Ų157.8 Ų57.81%0.00531%0.314CS..Hα-helixtrans-69.3-31.5-177.5-70.1164.4000113.7F12 L43 L69 E70 G77 E78 L79F12-L73 HydrophobicContact CD1-CD1 4.49Å; F12-L73 HydrophobicContact CE1-CD1 3.16Å; F12-L73 HydrophobicContact CE2-CD1 4.49Å; F12-L73 HydrophobicContact CZ-CB 4.1Å; F12-L73 HydrophobicContact CZ-CD1 3.16Å; F12-L73 HydrophobicContact CZ-CG 4.23Å; L43-L73 HydrophobicContact CD1-CD1 4.19Å; L43-L73 HydrophobicContact CD1-CD2 4.08Å; L43-L73 HydrophobicContact CD1-CG 4.43Å; L43-L73 HydrophobicContact CD2-CD2 3.97Å; L69-L73 HydrophobicContact CD1-CD1 3.93Å; L69-L73 HydrophobicContact CG-CD1 3.91Å; L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 WeakPolarHBondContact O-CG 3.33Å; L69-L73 PolarHBondContact O-N 2.8Å; E70-L73 PolarHBondContact O-N 3.06Å; L73-G77 PolarHBondContact O-N 3.09Å; L73-E78 HydrophobicContact CD2-CB 4.03Å; L73-E78 HydrophobicContact CD2-CG 4.29Å; L73-E78 PolarHBondContact O-N 3.47Å; L73-E78 VanDerWaalsContact O-N 3.12Å; L73-L79 HydrophobicContact CB-CD1 4.14Å
74I59.9Low53.9Low102 Ų10266 Ų6652%0.52335%0.354SS..Hα-helixtrans-62-46.3167.8-67170.6000110.2E70 K71 F72 Y76 G77 L79E70-I74 HydrophobicContact CG-CD1 4.15Å; E70-I74 VanDerWaalsContact O-CG1 3.26Å; E70-I74 WeakPolarHBondContact O-CG1 3.02Å; E70-I74 PolarHBondContact O-N 3.23Å; K71-I74 PolarHBondContact O-N 3.45Å; F72-I74 PolarHBondContact O-N 2.8Å; I74-Y76 PolarHBondContact O-N 3.15Å; I74-G77 PolarHBondContact O-N 3.29Å; I74-G77 VanDerWaalsContact O-N 3.09Å; I74-L79 HydrophobicContact CB-CD1 4.46Å; I74-L79 HydrophobicContact CD1-CD1 4.21Å; I74-L79 HydrophobicContact CG1-CB 4.11Å; I74-L79 HydrophobicContact CG1-CD1 3.37Å; I74-L79 HydrophobicContact CG1-CG 4.34Å
75S59.7Low53.6Low85 Ų8567 Ų6759%0.59436%0.359SS*.Hα-helixtrans-65.2-26.5-175.771.90000113.8K71 F72K71-S75 WeakPolarHBondContact O-CB 3.22Å; K71-S75 PolarHBondContact O-N 3.26Å; K71-S75 PolarHBondContact O-OG 2.81Å; F72-S75 PolarHBondContact O-N 2.71Å; F72-S75 PolarHBondContact O-OG 2.93Å
76Y57.5Low53.3Low89 Ų8970.4 Ų70.435%0.34938%0.378SS..THydrogen-bonded Turntrans-94.96.8176.7-73.5-78.5000113.7H47 V49 F72 I74 E78H47-Y76 HydrophobicContact CB-CD1 4.38Å; V49-Y76 WeakPolarHBondContact CG1-OH 3.17Å; V49-Y76 HydrophobicContact CG2-CD1 4.03Å; V49-Y76 HydrophobicContact CG2-CE1 3.27Å; V49-Y76 HydrophobicContact CG2-CE2 4.03Å; V49-Y76 WeakPolarHBondContact CG2-OH 3.45Å; F72-Y76 HydrophobicContact CD1-CD2 4.07Å; F72-Y76 HydrophobicContact CD1-CE2 4.47Å; F72-Y76 HydrophobicContact CD2-CD2 4.04Å; F72-Y76 AromaticContact CD2-CE2 3.66Å; F72-Y76 HydrophobicContact CD2-CE2 3.66Å; F72-Y76 AromaticContact CE1-CD2 3.86Å; F72-Y76 HydrophobicContact CE1-CD2 3.86Å; F72-Y76 HydrophobicContact CE1-CE2 4.14Å; F72-Y76 AromaticContact CE2-CD2 3.85Å; F72-Y76 HydrophobicContact CE2-CD2 3.85Å; F72-Y76 AromaticContact CE2-CE2 3.29Å; F72-Y76 HydrophobicContact CE2-CE2 3.29Å; F72-Y76 HydrophobicContact CG-CD2 4.15Å; F72-Y76 HydrophobicContact CG-CE2 4.24Å; F72-Y76 AromaticContact CZ-CD2 3.75Å; F72-Y76 HydrophobicContact CZ-CD2 3.75Å; F72-Y76 AromaticContact CZ-CE2 3.55Å; F72-Y76 HydrophobicContact CZ-CE2 3.55Å; F72-Y76 VanDerWaalsContact O-CD2 3.23Å; F72-Y76 WeakPolarHBondContact O-CD2 3.04Å; F72-Y76 PolarHBondContact O-N 3.04Å; F72-Y76 VanDerWaalsContact O-N 3.13Å; I74-Y76 PolarHBondContact O-N 3.15Å; Y76-E78 PolarHBondContact O-N 3.19Å
77G52Low53.1Low37 Ų3773.8 Ų73.838%0.38140%0.395SS..THydrogen-bonded Turntrans74.45.1176.100000115.2L73 I74 L79 E80L73-G77 PolarHBondContact O-N 3.09Å; I74-G77 PolarHBondContact O-N 3.29Å; I74-G77 VanDerWaalsContact O-N 3.09Å; G77-L79 VanDerWaalsContact C-N 3.31Å; G77-L79 PolarHBondContact O-N 3.13Å; G77-E80 PolarHBondContact O-N 2.77Å
78E49.1Very low52.6Low46 Ų4676.2 Ų76.222%0.21540%0.404CS..G310 helixtrans-73.8-22.8-177.5-71.6-106.5117.600113H47 L73 Y76 E80H47-E78 WeakPolarHBondContact CE1-CG 3.48Å; H47-E78 IonicContact CE1-OE1 3.04Å; H47-E78 PolarHBondContact CE1-OE1 3.16Å; H47-E78 IonicContact CE1-OE2 3.65Å; H47-E78 VanDerWaalsContact NE2-CG 3.29Å; H47-E78 WeakPolarHBondContact NE2-CG 3.44Å; H47-E78 IonicContact NE2-OE1 3.22Å; H47-E78 PolarHBondContact NE2-OE1 3.09Å; H47-E78 IonicContact NE2-OE2 2.97Å; H47-E78 PolarHBondContact NE2-OE2 3.11Å; L73-E78 HydrophobicContact CD2-CB 4.03Å; L73-E78 HydrophobicContact CD2-CG 4.29Å; L73-E78 PolarHBondContact O-N 3.47Å; L73-E78 VanDerWaalsContact O-N 3.12Å; Y76-E78 PolarHBondContact O-N 3.19Å; E78-E80 VanDerWaalsContact C-N 3.35Å
79L45.4Very low51.9Low35 Ų3580.3 Ų80.318%0.18342%0.423CS..G310 helixtrans-79.4-17177.6-107154.6000113.4F12 E70 L73 I74 G77 L81 I82F12-L79 HydrophobicContact CE2-CD1 3.89Å; F12-L79 HydrophobicContact CE2-CD2 4.04Å; F12-L79 HydrophobicContact CE2-CG 4.01Å; F12-L79 HydrophobicContact CZ-CD1 4.17Å; E70-L79 HydrophobicContact CG-CD1 4.3Å; L73-L79 HydrophobicContact CB-CD1 4.14Å; I74-L79 HydrophobicContact CB-CD1 4.46Å; I74-L79 HydrophobicContact CD1-CD1 4.21Å; I74-L79 HydrophobicContact CG1-CB 4.11Å; I74-L79 HydrophobicContact CG1-CD1 3.37Å; I74-L79 HydrophobicContact CG1-CG 4.34Å; G77-L79 VanDerWaalsContact C-N 3.31Å; G77-L79 PolarHBondContact O-N 3.13Å; L79-L81 PolarHBondContact O-N 3.5Å; L79-I82 PolarHBondContact O-N 2.72Å
80E40.4Very low51Low152 Ų15285.6 Ų85.671%0.7145%0.451SS*.G310 helixtrans-72.5-15.7176.4-136.8175.3-163.200112.4G77 E78G77-E80 PolarHBondContact O-N 2.77Å; E78-E80 VanDerWaalsContact C-N 3.35Å
81L38.9Very low50.3Low140 Ų14087.1 Ų87.173%0.73346%0.461SS*.G310 helixtrans-84.8-7.8176.8-91.5154.9000114.8L79L79-L81 PolarHBondContact O-N 3.5Å
82I40.1Very low49.3Very low60 Ų6083 Ų8331%0.30845%0.45SS..THydrogen-bonded Turntrans-109.8-16.7-174.7-64.8165.4000112.4A15 V16 L79A15-I82 VanDerWaalsContact C-CD1 3.44Å; A15-I82 HydrophobicContact CB-CD1 3.79Å; A15-I82 HydrophobicContact CB-CG1 4.23Å; A15-I82 HydrophobicContact CB-CG2 3.78Å; A15-I82 WeakPolarHBondContact O-CD1 3.31Å; A15-I82 WeakPolarHBondContact O-CG1 3.47Å; V16-I82 HydrophobicContact CB-CD1 4.27Å; V16-I82 HydrophobicContact CG2-CD1 3.53Å; L79-I82 PolarHBondContact O-N 2.72Å
83V39.3Very low48.2Very low118 Ų11888.5 Ų88.572%0.71548%0.481SS*.  trans-104.8-2.2-173.2-1710000113.1
84N36.3Very low47.1Very low197 Ų19796.5 Ų96.5100%1.05352%0.524SS*.  trans-112.30169.4-75.4-39000111.2

Retrieved 84 of 84 residues in 56.6 ms (Link to these results)

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