A0A5K4FAH3_SCHMA Loading...

Ubiquinone biosynthesis protein COQ4 homolog, mitochondrial

Lyase that catalyzes the C1-decarboxylation of 4-hydroxy-3-methoxy-5-(all-trans-polyprenyl)benzoic acid into 2-methoxy-6-(all-trans-polyprenyl)phenol during ubiquinone biosynthesis.

AlphaFold DB , UniProt , Accession A0A5K4FAH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 262 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
1M48Very low56.5Low156 Ų156104.7 Ų104.777%0.76852%0.522SS*.  01200-159.8163.186.900108.4L5 R6 L9M1-L5 HydrophobicContact CG-CB 4.13Å; M1-L5 HydrophobicContact CG-CD2 3.62Å; M1-L5 HydrophobicContact SD-CD2 3.93Å; M1-R6 HydrophobicContact CE-CG 3.82Å; M1-L9 HydrophobicContact CE-CD1 3.97Å
2S57.8Low56.9Low72 Ų72102.6 Ų102.650%0.50351%0.514SS..  trans-68.5154.8-169.795.80000112.6I4 L5 R6S2-I4 PolarHBondContact O-N 2.77Å; S2-I4 VanDerWaalsContact O-N 3.14Å; S2-I4 PolarHBondContact OG-N 3Å; S2-L5 PolarHBondContact O-N 2.71Å; S2-R6 PolarHBondContact O-N 3.12Å
3L61.6Low56.9Low126 Ų126100 Ų10066%0.6651%0.51SS*.Hα-helixtrans-53.2-33.6179.3-133.4101.7000112.5R7L3-R7 WeakPolarHBondContact O-CG 3.37Å; L3-R7 PolarHBondContact O-N 3.28Å; L3-R7 VanDerWaalsContact O-N 3.08Å
4I60.8Low56.8Low124 Ų12494.6 Ų94.664%0.63648%0.481SS*.Hα-helixtrans-65.7-45.7179.4-59.9173.7000110.2S2 R6 R7 V8S2-I4 PolarHBondContact O-N 2.77Å; S2-I4 VanDerWaalsContact O-N 3.14Å; S2-I4 PolarHBondContact OG-N 3Å; I4-R6 VanDerWaalsContact C-N 3.33Å; I4-R6 PolarHBondContact O-N 3.46Å; I4-R7 WeakPolarHBondContact O-CB 3.46Å; I4-R7 PolarHBondContact O-N 3.47Å; I4-V8 HydrophobicContact CG2-CG2 4.48Å; I4-V8 WeakPolarHBondContact O-CG2 3.44Å; I4-V8 PolarHBondContact O-N 2.94Å
5L50.4Low56.8Low95 Ų9596.1 Ų96.150%0.49748%0.483SS..Hα-helixtrans-64.6-39.2-179.4-142.881.4000111.4M1 S2 V8 L9M1-L5 HydrophobicContact CG-CB 4.13Å; M1-L5 HydrophobicContact CG-CD2 3.62Å; M1-L5 HydrophobicContact SD-CD2 3.93Å; S2-L5 PolarHBondContact O-N 2.71Å; L5-V8 PolarHBondContact O-N 3.27Å; L5-L9 WeakPolarHBondContact O-CB 3.17Å; L5-L9 WeakPolarHBondContact O-CD1 3.37Å; L5-L9 VanDerWaalsContact O-CG 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.32Å; L5-L9 PolarHBondContact O-N 3.49Å
6R54.3Low56.7Low171 Ų17196.8 Ų96.865%0.64549%0.488SS*.Hα-helixtrans-63.8-39.7174-72.3-172.4178.2-153.8-0112.3M1 S2 I4 S10M1-R6 HydrophobicContact CE-CG 3.82Å; S2-R6 PolarHBondContact O-N 3.12Å; I4-R6 VanDerWaalsContact C-N 3.33Å; I4-R6 PolarHBondContact O-N 3.46Å; R6-S10 WeakPolarHBondContact O-CB 3.45Å; R6-S10 PolarHBondContact O-N 3.35Å
7R52.3Low56.5Low140 Ų14099.5 Ų99.553%0.52849%0.491SS..Hα-helixtrans-63.5-48.6175.8-78.1-179.3176.5-167.9-1.2112L3 I4 L9 S10 I11L3-R7 WeakPolarHBondContact O-CG 3.37Å; L3-R7 PolarHBondContact O-N 3.28Å; L3-R7 VanDerWaalsContact O-N 3.08Å; I4-R7 WeakPolarHBondContact O-CB 3.46Å; I4-R7 PolarHBondContact O-N 3.47Å; R7-L9 VanDerWaalsContact C-N 3.33Å; R7-L9 PolarHBondContact O-N 3.11Å; R7-S10 PolarHBondContact O-N 3.36Å; R7-I11 WeakPolarHBondContact O-CB 3.3Å; R7-I11 VanDerWaalsContact O-CG1 3.3Å; R7-I11 WeakPolarHBondContact O-CG1 3.32Å; R7-I11 PolarHBondContact O-N 3.23Å
8V61Low56.3Low75 Ų7596.6 Ų96.646%0.45548%0.477SS..Hα-helixtrans-60.9-43.6178.9174.30000110.8I4 L5 I11 N12I4-V8 HydrophobicContact CG2-CG2 4.48Å; I4-V8 WeakPolarHBondContact O-CG2 3.44Å; I4-V8 PolarHBondContact O-N 2.94Å; L5-V8 PolarHBondContact O-N 3.27Å; V8-I11 PolarHBondContact O-N 2.89Å; V8-N12 VanDerWaalsContact O-CB 3.26Å; V8-N12 WeakPolarHBondContact O-CB 3.45Å; V8-N12 VanDerWaalsContact O-CG 3.23Å; V8-N12 PolarHBondContact O-N 3.47Å; V8-N12 PolarHBondContact O-ND2 2.91Å
9L60.9Low56Low93 Ų9398.3 Ų98.349%0.48748%0.484SS..Hα-helixtrans-65.3-41.6177.7-72.3168000112.7M1 L5 R7 N12 C13M1-L9 HydrophobicContact CE-CD1 3.97Å; L5-L9 WeakPolarHBondContact O-CB 3.17Å; L5-L9 WeakPolarHBondContact O-CD1 3.37Å; L5-L9 VanDerWaalsContact O-CG 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.32Å; L5-L9 PolarHBondContact O-N 3.49Å; R7-L9 VanDerWaalsContact C-N 3.33Å; R7-L9 PolarHBondContact O-N 3.11Å; L9-N12 PolarHBondContact O-N 3.3Å; L9-C13 VanDerWaalsContact O-CB 3.28Å; L9-C13 WeakPolarHBondContact O-CB 3.22Å; L9-C13 PolarHBondContact O-N 2.8Å
10S58.1Low55.5Low29 Ų2999.7 Ų99.720%0.20349%0.489CS..Hα-helixtrans-65.5-43177.8-174.60000112.3R6 R7 C13 Y14R6-S10 WeakPolarHBondContact O-CB 3.45Å; R6-S10 PolarHBondContact O-N 3.35Å; R7-S10 PolarHBondContact O-N 3.36Å; S10-C13 PolarHBondContact O-N 3.43Å; S10-Y14 PolarHBondContact O-N 3.22Å; S10-Y14 VanDerWaalsContact O-N 3.07Å
11I55.9Low55.3Low71 Ų7198.5 Ų98.536%0.36449%0.487SS..Hα-helixtrans-64.7-46.7176.8-69.5169.4000109.7R7 V8 C13 Y14 F15R7-I11 WeakPolarHBondContact O-CB 3.3Å; R7-I11 VanDerWaalsContact O-CG1 3.3Å; R7-I11 WeakPolarHBondContact O-CG1 3.32Å; R7-I11 PolarHBondContact O-N 3.23Å; V8-I11 PolarHBondContact O-N 2.89Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 2.82Å; I11-Y14 PolarHBondContact O-N 3.01Å; I11-F15 HydrophobicContact CG2-CD2 3.47Å; I11-F15 VanDerWaalsContact CG2-CD2 3.47Å; I11-F15 HydrophobicContact CG2-CE2 3.38Å; I11-F15 WeakPolarHBondContact O-CD2 3.22Å; I11-F15 PolarHBondContact O-N 3.28Å
12N62.2Low55.2Low79 Ų7997.9 Ų97.942%0.42248%0.48SS..Hα-helixtrans-61.3-39.2176.8-77.6-19.9000112.4V8 L9 F15 L16V8-N12 VanDerWaalsContact O-CB 3.26Å; V8-N12 WeakPolarHBondContact O-CB 3.45Å; V8-N12 VanDerWaalsContact O-CG 3.23Å; V8-N12 PolarHBondContact O-N 3.47Å; V8-N12 PolarHBondContact O-ND2 2.91Å; L9-N12 PolarHBondContact O-N 3.3Å; N12-F15 PolarHBondContact O-N 3.39Å; N12-L16 WeakPolarHBondContact O-CB 3.37Å; N12-L16 WeakPolarHBondContact O-CG 3.42Å; N12-L16 PolarHBondContact O-N 2.86Å
13C56.4Low54.7Low69 Ų6997.9 Ų97.947%0.46648%0.481SS..Hα-helixtrans-67-38.6177.8-1600000111.8L9 S10 I11 R17L9-C13 VanDerWaalsContact O-CB 3.28Å; L9-C13 WeakPolarHBondContact O-CB 3.22Å; L9-C13 PolarHBondContact O-N 2.8Å; S10-C13 PolarHBondContact O-N 3.43Å; I11-C13 VanDerWaalsContact C-N 3.33Å; I11-C13 PolarHBondContact O-N 2.82Å; C13-R17 PolarHBondContact O-N 3.24Å; C13-R17 VanDerWaalsContact O-N 3.08Å
14Y55.2Low54.1Low25 Ų2596.2 Ų96.210%0.09848%0.475CS..Hα-helixtrans-63.2-46.2171.8-175.9-101.9000111.7S10 I11 R17 L18 F84 L88 L97 D149S10-Y14 PolarHBondContact O-N 3.22Å; S10-Y14 VanDerWaalsContact O-N 3.07Å; I11-Y14 PolarHBondContact O-N 3.01Å; Y14-R17 PolarHBondContact O-N 3.49Å; Y14-L18 HydrophobicContact CD1-CD1 3.9Å; Y14-L18 HydrophobicContact CD1-CG 4.45Å; Y14-L18 HydrophobicContact CE1-CD1 3.41Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.41Å; Y14-L18 HydrophobicContact CE1-CG 4.04Å; Y14-L18 PolarHBondContact O-N 3.26Å; Y14-F84 HydrophobicContact CE1-CZ 4.09Å; Y14-F84 AromaticContact CZ-CZ 3.85Å; Y14-F84 WeakPolarHBondContact OH-CE2 3.32Å; Y14-F84 WeakPolarHBondContact OH-CZ 3.42Å; Y14-L88 HydrophobicContact CD1-CD2 3.93Å; Y14-L88 HydrophobicContact CE1-CD2 3.89Å; Y14-L88 HydrophobicContact CG-CD2 4.35Å; Y14-L97 HydrophobicContact CE2-CB 4.37Å; Y14-D149 PolarHBondContact OH-OD1 2.76Å; Y14-D149 PolarHBondContact OH-OD2 2.88Å; Y14-D149 VanDerWaalsContact OH-OD2 3.11Å
15F57.6Low53.5Low116 Ų11695.7 Ų95.751%0.50947%0.473SS..Hα-helixtrans-62.9-41.9176.3-84.9-68.8000113.3I11 N12 R17 L18 Q19I11-F15 HydrophobicContact CG2-CD2 3.47Å; I11-F15 VanDerWaalsContact CG2-CD2 3.47Å; I11-F15 HydrophobicContact CG2-CE2 3.38Å; I11-F15 WeakPolarHBondContact O-CD2 3.22Å; I11-F15 PolarHBondContact O-N 3.28Å; N12-F15 PolarHBondContact O-N 3.39Å; F15-R17 VanDerWaalsContact C-N 3.31Å; F15-R17 PolarHBondContact O-N 2.92Å; F15-L18 HydrophobicContact CD1-CD1 4.46Å; F15-L18 WeakPolarHBondContact O-CB 3.49Å; F15-L18 PolarHBondContact O-N 3.2Å; F15-Q19 WeakPolarHBondContact O-CG 3.2Å; F15-Q19 PolarHBondContact O-N 2.68Å
16L55Low53.1Low108 Ų10898.3 Ų98.357%0.56549%0.488SS*.Hα-helixtrans-63.3-38.3176.9-74.6166.8000111.3N12 Q19 H20N12-L16 WeakPolarHBondContact O-CB 3.37Å; N12-L16 WeakPolarHBondContact O-CG 3.42Å; N12-L16 PolarHBondContact O-N 2.86Å; L16-Q19 PolarHBondContact O-N 3.41Å; L16-H20 PolarHBondContact O-N 3.41Å
17R53.6Low52.6Low142 Ų14294.7 Ų94.754%0.53649%0.489SS..Hα-helixtrans-67.3-41.9174.1-160177.2-157-156.12.9111.7C13 Y14 F15 Q19 H20 T21 R98C13-R17 PolarHBondContact O-N 3.24Å; C13-R17 VanDerWaalsContact O-N 3.08Å; Y14-R17 PolarHBondContact O-N 3.49Å; F15-R17 VanDerWaalsContact C-N 3.31Å; F15-R17 PolarHBondContact O-N 2.92Å; R17-Q19 VanDerWaalsContact C-N 3.29Å; R17-Q19 PolarHBondContact O-N 3.02Å; R17-H20 PolarHBondContact O-N 3.13Å; R17-T21 PolarHBondContact O-N 2.9Å; R17-T21 PolarHBondContact O-OG1 3.35Å; R17-R98 PolarHBondContact NH1-O 3.27Å
18L52.4Low52Low48 Ų4894.5 Ų94.525%0.25149%0.494SS..Hα-helixtrans-58.2-41.3173.6-77.2174.9000112Y14 F15 T21 K22Y14-L18 HydrophobicContact CD1-CD1 3.9Å; Y14-L18 HydrophobicContact CD1-CG 4.45Å; Y14-L18 HydrophobicContact CE1-CD1 3.41Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.41Å; Y14-L18 HydrophobicContact CE1-CG 4.04Å; Y14-L18 PolarHBondContact O-N 3.26Å; F15-L18 HydrophobicContact CD1-CD1 4.46Å; F15-L18 WeakPolarHBondContact O-CB 3.49Å; F15-L18 PolarHBondContact O-N 3.2Å; L18-T21 PolarHBondContact O-N 3.37Å; L18-K22 WeakPolarHBondContact O-CB 3.35Å; L18-K22 WeakPolarHBondContact O-CG 3.3Å; L18-K22 PolarHBondContact O-N 3.19Å
19Q50.4Low50.9Low129 Ų12999.3 Ų99.360%0.60352%0.517SS*.Hα-helixtrans-64.4-44175.6-74.8-177-25.300112F15 L16 R17 T21 K22 S23F15-Q19 WeakPolarHBondContact O-CG 3.2Å; F15-Q19 PolarHBondContact O-N 2.68Å; L16-Q19 PolarHBondContact O-N 3.41Å; R17-Q19 VanDerWaalsContact C-N 3.29Å; R17-Q19 PolarHBondContact O-N 3.02Å; Q19-T21 VanDerWaalsContact C-N 3.34Å; Q19-T21 PolarHBondContact O-N 3.31Å; Q19-K22 PolarHBondContact O-N 3.06Å; Q19-S23 PolarHBondContact O-N 3.15Å
20H47.2Very low50.1Low125 Ų125101.7 Ų101.758%0.57952%0.524SS*.Hα-helixtrans-64.1-39.4176.2-170.1-76.9000112L16 R17 S23 V24L16-H20 PolarHBondContact O-N 3.41Å; R17-H20 PolarHBondContact O-N 3.13Å; H20-S23 PolarHBondContact O-N 3.2Å; H20-S23 PolarHBondContact O-OG 3.15Å; H20-V24 WeakPolarHBondContact O-CG2 3.32Å; H20-V24 PolarHBondContact O-N 2.81Å
21T50.6Low49.4Very low75 Ų75104 Ų10446%0.4655%0.552SS.*Hα-helixtrans-66.6-41.1177.5-33.60000110.6R17 L18 Q19 L25R17-T21 PolarHBondContact O-N 2.9Å; R17-T21 PolarHBondContact O-OG1 3.35Å; L18-T21 PolarHBondContact O-N 3.37Å; Q19-T21 VanDerWaalsContact C-N 3.34Å; Q19-T21 PolarHBondContact O-N 3.31Å; T21-L25 WeakPolarHBondContact O-CG 3.28Å; T21-L25 PolarHBondContact O-N 2.81Å
22K46.6Very low49.6Very low143 Ų143106.6 Ų106.662%0.62257%0.567SS**Hα-helixtrans-67.7-36.2174.8-76.9-176.8177.1-1770113.5L18 Q19 L25 N26L18-K22 WeakPolarHBondContact O-CB 3.35Å; L18-K22 WeakPolarHBondContact O-CG 3.3Å; L18-K22 PolarHBondContact O-N 3.19Å; Q19-K22 PolarHBondContact O-N 3.06Å; K22-L25 PolarHBondContact O-N 2.63Å; K22-N26 PolarHBondContact O-N 3.42Å
23S45.9Very low49.8Very low73 Ų73106.7 Ų106.751%0.5157%0.57SS.*Hα-helixtrans-70-34.7-18081.70000112.1Q19 H20 L25 N26Q19-S23 PolarHBondContact O-N 3.15Å; H20-S23 PolarHBondContact O-N 3.2Å; H20-S23 PolarHBondContact O-OG 3.15Å; S23-L25 VanDerWaalsContact C-N 3.32Å; S23-N26 PolarHBondContact O-N 3.17Å
24V49.7Very low50.9Low90 Ų90108.5 Ų108.555%0.54557%0.572SS.*Hα-helixtrans-67.3-33.3175173.50000111.5H20H20-V24 WeakPolarHBondContact O-CG2 3.32Å; H20-V24 PolarHBondContact O-N 2.81Å
25L48.7Very low52.5Low113 Ų113111.3 Ų111.359%0.59259%0.588SS**Hα-helixtrans-77.2-19.9-180-69171000114.2T21 K22 S23T21-L25 WeakPolarHBondContact O-CG 3.28Å; T21-L25 PolarHBondContact O-N 2.81Å; K22-L25 PolarHBondContact O-N 2.63Å; S23-L25 VanDerWaalsContact C-N 3.32Å
26N42.2Very low54.1Low151 Ų151107.3 Ų107.381%0.80757%0.57SS**THydrogen-bonded Turntrans-86-3.6-174.5-94.53.3000114.8K22 S23K22-N26 PolarHBondContact O-N 3.42Å; S23-N26 PolarHBondContact O-N 3.17Å
27S43.1Very low55.9Low95 Ų95108.2 Ų108.266%0.66458%0.582SS**THydrogen-bonded Turntrans-95.3-2.2-17362.60000116.2
28E39.1Very low57.7Low135 Ų135103 Ų10363%0.63157%0.572SS**  trans-138.7123.4-179.2-60.6-170150.900113.7F30E28-F30 HydrophobicContact CB-CD2 3.54Å; E28-F30 HydrophobicContact CB-CE2 3.68Å; E28-F30 HydrophobicContact CG-CE2 4.23Å; E28-F30 PolarHBondContact O-N 2.98Å; E28-F30 VanDerWaalsContact O-N 3.1Å; E28-F30 VanDerWaalsContact OE2-CE2 3.31Å; E28-F30 WeakPolarHBondContact OE2-CE2 3.49Å
29N38.3Very low59.8Low176 Ų176101.1 Ų101.194%0.94156%0.563SS**  trans-71.792.6168.8-92.2-32000109.4
30F43.2Very low62Low143 Ų14398 Ų9863%0.62755%0.549SS*.  trans-123.9137.6168.1-76.6-78.8000110.3E28 V33E28-F30 HydrophobicContact CB-CD2 3.54Å; E28-F30 HydrophobicContact CB-CE2 3.68Å; E28-F30 HydrophobicContact CG-CE2 4.23Å; E28-F30 PolarHBondContact O-N 2.98Å; E28-F30 VanDerWaalsContact O-N 3.1Å; E28-F30 VanDerWaalsContact OE2-CE2 3.31Å; E28-F30 WeakPolarHBondContact OE2-CE2 3.49Å; F30-V33 HydrophobicContact CB-CG2 4.01Å; F30-V33 WeakPolarHBondContact O-CG2 3.33Å
31G45.2Very low64.2Low77 Ų7798.7 Ų98.779%0.79455%0.551SS**THydrogen-bonded Turntrans-56.6150.8175.500000111.8V33G31-V33 VanDerWaalsContact C-N 3.27Å; G31-V33 PolarHBondContact O-N 3.18Å
32D58.3Low66.3Low127 Ų12796 Ų9668%0.67953%0.534SS*.THydrogen-bonded Turntrans1467.1-178.5-85-37.2000114.4E34 K41D32-E34 PolarHBondContact O-N 3.26Å; D32-E34 VanDerWaalsContact O-N 3.16Å; D32-K41 IonicContact OD1-NZ 2.76Å; D32-K41 PolarHBondContact OD1-NZ 2.9Å
33V67.3Low68.6Low80 Ų8093 Ų9349%0.48553%0.528SS..  trans-59.6120173.9-179.20000107.7F30 G31 N35F30-V33 HydrophobicContact CB-CG2 4.01Å; F30-V33 WeakPolarHBondContact O-CG2 3.33Å; G31-V33 VanDerWaalsContact C-N 3.27Å; G31-V33 PolarHBondContact O-N 3.18Å; V33-N35 PolarHBondContact O-N 2.88Å
34E80.1Confident70.9Confident108 Ų10897.4 Ų97.451%0.50554%0.538SS..  trans-56.3129.6170.9-66.9-175.3-179.700108.8D32 Y36 G38 H39D32-E34 PolarHBondContact O-N 3.26Å; D32-E34 VanDerWaalsContact O-N 3.16Å; E34-Y36 PolarHBondContact O-N 3.4Å; E34-Y36 VanDerWaalsContact O-N 3.15Å; E34-G38 PolarHBondContact OE2-N 3.34Å; E34-H39 HydrophobicContact CB-CB 4.42Å
35N87.3Confident73.2Confident84 Ų8497.3 Ų97.345%0.44954%0.541SS..SBendtrans-63.8-23.3-179.2-69.7-20.4000112.1V33 H39 D146 P148V33-N35 PolarHBondContact O-N 2.88Å; N35-H39 PolarHBondContact N-ND1 2.9Å; N35-H39 PolarHBondContact ND2-CE1 2.96Å; N35-D146 WeakPolarHBondContact CB-O 3.26Å; N35-D146 PolarHBondContact ND2-O 3.11Å; N35-P148 HydrophobicContact CB-CG 4.18Å; N35-P148 WeakPolarHBondContact O-CG 3.49Å
36Y92.1Very high75.5Confident32 Ų3296.8 Ų96.813%0.12554%0.536CS..SBendtrans-162.9160.3170.953.9-91.5000108.9E34 G38 H39 V142 V145 P148 S151E34-Y36 PolarHBondContact O-N 3.4Å; E34-Y36 VanDerWaalsContact O-N 3.15Å; Y36-G38 PolarHBondContact O-N 2.87Å; Y36-H39 HydrophobicContact CD1-CB 4.13Å; Y36-H39 HydrophobicContact CD2-CB 3.97Å; Y36-H39 HydrophobicContact CE1-CB 3.91Å; Y36-H39 AromaticContact CE1-CD2 3.93Å; Y36-H39 AromaticContact CE1-CG 3.98Å; Y36-H39 HydrophobicContact CE2-CB 3.73Å; Y36-H39 HydrophobicContact CG-CB 4.16Å; Y36-H39 AromaticContact CZ-CD2 3.81Å; Y36-H39 AromaticContact CZ-CG 3.99Å; Y36-H39 WeakPolarHBondContact O-CB 3.44Å; Y36-H39 PolarHBondContact O-N 2.76Å; Y36-V142 WeakPolarHBondContact CE2-O 3.2Å; Y36-V145 WeakPolarHBondContact CE1-O 3.43Å; Y36-V145 VanDerWaalsContact CZ-O 3.3Å; Y36-V145 PolarHBondContact OH-O 3.03Å; Y36-P148 HydrophobicContact CD1-CB 4.08Å; Y36-P148 HydrophobicContact CD1-CG 4.13Å; Y36-S151 WeakPolarHBondContact CE2-OG 3.29Å; Y36-S151 PolarHBondContact OH-OG 3.39Å
37P91.8Very high78.1Confident126 Ų12690.9 Ų90.982%0.81850%0.503SS*.THydrogen-bonded Turntrans-53.7123.8-175.5-27.935.5000113.5H39P37-H39 VanDerWaalsContact C-N 3.34Å
38G92.7Very high80.7Confident32 Ų3288.6 Ų88.633%0.3349%0.487SS..THydrogen-bonded Turntrans82.86.5178.500000115.1E34 Y36E34-G38 PolarHBondContact OE2-N 3.34Å; Y36-G38 PolarHBondContact O-N 2.87Å
39H96.4Very high83.5Confident10 Ų1088.4 Ų88.45%0.04649%0.489CS..  trans-63.8134171.3173.4-121.6000110.8E34 N35 Y36 P37 R143 D146E34-H39 HydrophobicContact CB-CB 4.42Å; N35-H39 PolarHBondContact N-ND1 2.9Å; N35-H39 PolarHBondContact ND2-CE1 2.96Å; Y36-H39 HydrophobicContact CD1-CB 4.13Å; Y36-H39 HydrophobicContact CD2-CB 3.97Å; Y36-H39 HydrophobicContact CE1-CB 3.91Å; Y36-H39 AromaticContact CE1-CD2 3.93Å; Y36-H39 AromaticContact CE1-CG 3.98Å; Y36-H39 HydrophobicContact CE2-CB 3.73Å; Y36-H39 HydrophobicContact CG-CB 4.16Å; Y36-H39 AromaticContact CZ-CD2 3.81Å; Y36-H39 AromaticContact CZ-CG 3.99Å; Y36-H39 WeakPolarHBondContact O-CB 3.44Å; Y36-H39 PolarHBondContact O-N 2.76Å; P37-H39 VanDerWaalsContact C-N 3.34Å; H39-R143 PolarHBondContact CD2-O 3.22Å; H39-R143 VanDerWaalsContact CD2-O 3.26Å; H39-D146 IonicContact CE1-OD1 2.63Å; H39-D146 PolarHBondContact CE1-OD1 2.99Å; H39-D146 IonicContact NE2-OD1 3.15Å; H39-D146 PolarHBondContact NE2-OD1 3.28Å
40I95.3Very high86.3Confident64 Ų6482.9 Ų82.933%0.32846%0.459SS..  trans-115.3105.4175.7-57.9174.4000107.5T42 R143 F144I40-T42 HydrophobicContact CG2-CG2 4.48Å; I40-T42 PolarHBondContact O-N 2.67Å; I40-R143 HydrophobicContact CD1-CB 4.21Å; I40-R143 HydrophobicContact CG1-CB 4.32Å; I40-R143 PolarHBondContact N-O 2.94Å; I40-F144 HydrophobicContact CB-CD1 3.99Å; I40-F144 HydrophobicContact CB-CE1 3.87Å; I40-F144 HydrophobicContact CD1-CE1 3.91Å; I40-F144 HydrophobicContact CD1-CZ 4.18Å; I40-F144 HydrophobicContact CG1-CE1 4.47Å; I40-F144 HydrophobicContact CG2-CD1 4.23Å; I40-F144 HydrophobicContact CG2-CE1 3.88Å
41K94.4Very high88.9Confident139 Ų13976.8 Ų76.860%0.60444%0.435SS*.  trans-63.6131.3173.5-170172.3176.9-179.40109.9D32D32-K41 IonicContact OD1-NZ 2.76Å; D32-K41 PolarHBondContact OD1-NZ 2.9Å
42T93.7Very high91.4Very high19 Ų1978.9 Ų78.912%0.11743%0.427CS..  trans-126.1140.717950.50000110.3I40 Q46 K47 L50 F144I40-T42 HydrophobicContact CG2-CG2 4.48Å; I40-T42 PolarHBondContact O-N 2.67Å; T42-Q46 HydrophobicContact CG2-CB 4.42Å; T42-K47 WeakPolarHBondContact OG1-CE 3.25Å; T42-L50 HydrophobicContact CG2-CD1 4.01Å; T42-F144 HydrophobicContact CG2-CD1 3.85Å; T42-F144 HydrophobicContact CG2-CE1 4.35Å
43T95.6Very high93.2Very high79 Ų7974.8 Ų74.849%0.48542%0.415SS..  trans-67.6160.3164.761.40000110S45 Q46 K47T43-S45 VanDerWaalsContact C-N 3.27Å; T43-S45 PolarHBondContact O-N 2.91Å; T43-Q46 PolarHBondContact O-N 3.19Å; T43-Q46 VanDerWaalsContact O-N 3.17Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.15Å; T43-Q46 VanDerWaalsContact OG1-CD 3.27Å; T43-Q46 VanDerWaalsContact OG1-CG 3.25Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.13Å; T43-Q46 PolarHBondContact OG1-N 2.99Å; T43-Q46 PolarHBondContact OG1-OE1 2.83Å; T43-K47 WeakPolarHBondContact O-CB 3.49Å; T43-K47 PolarHBondContact O-N 3.01Å
44F94.7Very high94.6Very high166 Ų16671.2 Ų71.273%0.72839%0.394SS*.Hα-helixtrans-52.3-46.2174.8178.3-100000112Q46 K47 C48F44-Q46 PolarHBondContact O-N 3.43Å; F44-K47 PolarHBondContact O-N 2.75Å; F44-C48 WeakPolarHBondContact CZ-SG 3.35Å; F44-C48 WeakPolarHBondContact O-CB 3.2Å; F44-C48 PolarHBondContact O-N 3.5Å; F44-C48 PolarHBondContact O-SG 3.46Å; F44-C48 VanDerWaalsContact O-SG 3.4Å
45S97Very high95.4Very high88 Ų8866.7 Ų66.762%0.61538%0.376SS*.Hα-helixtrans-63.1-42.8179-530000112.8T43 C48 L49T43-S45 VanDerWaalsContact C-N 3.27Å; T43-S45 PolarHBondContact O-N 2.91Å; S45-C48 PolarHBondContact O-N 3.11Å; S45-L49 WeakPolarHBondContact O-CB 3.39Å; S45-L49 PolarHBondContact O-N 3.3Å
46Q97.5Very high95.8Very high101 Ų10167.7 Ų67.747%0.47238%0.38SS..Hα-helixtrans-62.6-43.3174.6-74.7163.8-28.800111.1T42 T43 F44 L49 L50T42-Q46 HydrophobicContact CG2-CB 4.42Å; T43-Q46 PolarHBondContact O-N 3.19Å; T43-Q46 VanDerWaalsContact O-N 3.17Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.15Å; T43-Q46 VanDerWaalsContact OG1-CD 3.27Å; T43-Q46 VanDerWaalsContact OG1-CG 3.25Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.13Å; T43-Q46 PolarHBondContact OG1-N 2.99Å; T43-Q46 PolarHBondContact OG1-OE1 2.83Å; F44-Q46 PolarHBondContact O-N 3.43Å; Q46-L49 PolarHBondContact O-N 3.42Å; Q46-L50 WeakPolarHBondContact O-CB 3.36Å; Q46-L50 VanDerWaalsContact O-CG 3.27Å; Q46-L50 WeakPolarHBondContact O-CG 3.32Å; Q46-L50 PolarHBondContact O-N 2.85Å
47K97.1Very high95.9Very high27 Ų2766.9 Ų66.912%0.11738%0.381CS..Hα-helixtrans-64.2-42.9178.2-167169.2-61.4-154.20111.7T42 T43 F44 L50 S51 T74 F144 D146T42-K47 WeakPolarHBondContact OG1-CE 3.25Å; T43-K47 WeakPolarHBondContact O-CB 3.49Å; T43-K47 PolarHBondContact O-N 3.01Å; F44-K47 PolarHBondContact O-N 2.75Å; K47-L50 PolarHBondContact O-N 3.36Å; K47-S51 WeakPolarHBondContact O-CB 3.36Å; K47-S51 PolarHBondContact O-N 2.87Å; K47-S51 PolarHBondContact O-OG 2.96Å; K47-S51 VanDerWaalsContact O-OG 3.07Å; K47-T74 HydrophobicContact CG-CG2 4.11Å; K47-F144 PolarHBondContact NZ-O 3.34Å; K47-D146 IonicContact NZ-OD2 3.46Å; K47-D146 PolarHBondContact NZ-OD2 3.03Å
48C97.5Very high95.9Very high48 Ų4861.8 Ų61.832%0.32435%0.349SS..Hα-helixtrans-61.3-45.9174-74.30000112.2F44 S45 S51 L52F44-C48 WeakPolarHBondContact CZ-SG 3.35Å; F44-C48 WeakPolarHBondContact O-CB 3.2Å; F44-C48 PolarHBondContact O-N 3.5Å; F44-C48 PolarHBondContact O-SG 3.46Å; F44-C48 VanDerWaalsContact O-SG 3.4Å; S45-C48 PolarHBondContact O-N 3.11Å; C48-S51 PolarHBondContact O-N 3.46Å; C48-L52 WeakPolarHBondContact O-CG 3.37Å; C48-L52 PolarHBondContact O-N 2.94Å
49L97.9Very high95.9Very high131 Ų13163.4 Ų63.469%0.68635%0.349SS*.Hα-helixtrans-63.3-44.5178.4-178.162.3000111.6S45 Q46 L52 G53S45-L49 WeakPolarHBondContact O-CB 3.39Å; S45-L49 PolarHBondContact O-N 3.3Å; Q46-L49 PolarHBondContact O-N 3.42Å; L49-L52 PolarHBondContact O-N 3.49Å; L49-G53 PolarHBondContact O-N 2.99Å
50L97.4Very high95.7Very high59 Ų5969.4 Ų69.431%0.30938%0.381SS..Hα-helixtrans-60.4-46.2175.1-74.2170000111.2T42 Q46 K47 S54 T70 T74 F144T42-L50 HydrophobicContact CG2-CD1 4.01Å; Q46-L50 WeakPolarHBondContact O-CB 3.36Å; Q46-L50 VanDerWaalsContact O-CG 3.27Å; Q46-L50 WeakPolarHBondContact O-CG 3.32Å; Q46-L50 PolarHBondContact O-N 2.85Å; K47-L50 PolarHBondContact O-N 3.36Å; L50-S54 WeakPolarHBondContact O-CB 3.16Å; L50-S54 PolarHBondContact O-N 3.23Å; L50-S54 PolarHBondContact O-OG 3.33Å; L50-T70 HydrophobicContact CB-CG2 4.21Å; L50-T70 HydrophobicContact CD2-CG2 4.31Å; L50-T74 HydrophobicContact CB-CG2 3.94Å; L50-T74 HydrophobicContact CD1-CG2 4.32Å; L50-F144 HydrophobicContact CD1-CD1 4.08Å; L50-F144 HydrophobicContact CD1-CE1 3.96Å; L50-F144 HydrophobicContact CD1-CZ 4.34Å
51S97.5Very high95.5Very high16 Ų1669.7 Ų69.711%0.11238%0.383CS..Hα-helixtrans-57.3-51.6176.1-710000112.4K47 C48 S54 G55 F71 T74 S75K47-S51 WeakPolarHBondContact O-CB 3.36Å; K47-S51 PolarHBondContact O-N 2.87Å; K47-S51 PolarHBondContact O-OG 2.96Å; K47-S51 VanDerWaalsContact O-OG 3.07Å; C48-S51 PolarHBondContact O-N 3.46Å; S51-S54 PolarHBondContact O-OG 2.78Å; S51-G55 PolarHBondContact O-N 3.19Å; S51-F71 VanDerWaalsContact O-CD2 3.26Å; S51-F71 WeakPolarHBondContact O-CD2 3.43Å; S51-T74 WeakPolarHBondContact CA-OG1 3.35Å; S51-T74 PolarHBondContact N-OG1 3.37Å; S51-T74 WeakPolarHBondContact OG-CB 3.39Å; S51-T74 PolarHBondContact OG-O 3.4Å; S51-T74 PolarHBondContact OG-OG1 3.29Å; S51-S75 PolarHBondContact OG-N 2.97Å
52L97.2Very high95Very high120 Ų12066.8 Ų66.863%0.62838%0.378SS*.Hα-helixtrans-67-48.1-177.7-69.2172.9000111.6C48 L49 G55 I56C48-L52 WeakPolarHBondContact O-CG 3.37Å; C48-L52 PolarHBondContact O-N 2.94Å; L49-L52 PolarHBondContact O-N 3.49Å; L52-G55 PolarHBondContact O-N 3.13Å; L52-I56 WeakPolarHBondContact O-CG1 3.21Å; L52-I56 PolarHBondContact O-N 3.21Å
53G97.4Very high94.7Very high42 Ų4277 Ų7743%0.43341%0.414SS..Hα-helixtrans-64.3-45-177.900000112.6L49 G57L49-G53 PolarHBondContact O-N 2.99Å; G53-G57 PolarHBondContact O-N 3.28Å
54S97.2Very high94.4Very high5 Ų578.2 Ų78.24%0.03541%0.41CS..Hα-helixtrans-67.6-41177.262.20000112.2L50 S51 G57 C58 L67 F71L50-S54 WeakPolarHBondContact O-CB 3.16Å; L50-S54 PolarHBondContact O-N 3.23Å; L50-S54 PolarHBondContact O-OG 3.33Å; S51-S54 PolarHBondContact O-OG 2.78Å; S54-G57 PolarHBondContact O-N 3.39Å; S54-C58 WeakPolarHBondContact O-CB 3.39Å; S54-C58 PolarHBondContact O-N 2.98Å; S54-C58 PolarHBondContact O-SG 2.98Å; S54-L67 WeakPolarHBondContact CB-O 3.41Å; S54-F71 WeakPolarHBondContact OG-CA 3.47Å; S54-F71 WeakPolarHBondContact OG-CB 3.39Å; S54-F71 PolarHBondContact OG-N 3.12Å
55G95.6Very high94.2Very high13 Ų1373 Ų7313%0.13440%0.398CS..Hα-helixtrans-60.2-48.5175.700000113S51 L52 C58 L59S51-G55 PolarHBondContact O-N 3.19Å; L52-G55 PolarHBondContact O-N 3.13Å; G55-C58 PolarHBondContact O-N 2.68Å; G55-L59 PolarHBondContact O-N 3.47Å
56I95.6Very high94Very high104 Ų10471.6 Ų71.653%0.53338%0.383SS..Hα-helixtrans-62.5-45.2175.5-68168.1000110.5L52 C58 L59 I60L52-I56 WeakPolarHBondContact O-CG1 3.21Å; L52-I56 PolarHBondContact O-N 3.21Å; I56-C58 VanDerWaalsContact C-N 3.32Å; I56-C58 PolarHBondContact O-N 3.35Å; I56-L59 WeakPolarHBondContact O-CB 3.45Å; I56-L59 PolarHBondContact O-N 2.93Å; I56-L59 VanDerWaalsContact O-N 3.1Å; I56-I60 HydrophobicContact CG2-CD1 3.9Å; I56-I60 WeakPolarHBondContact O-CG1 3.47Å; I56-I60 PolarHBondContact O-N 2.83Å
57G95.8Very high93.9Very high15 Ų1568.4 Ų68.416%0.15537%0.369CS..Hα-helixtrans-61.5-37.3179.300000113.2G53 S54 I60 N61G53-G57 PolarHBondContact O-N 3.28Å; S54-G57 PolarHBondContact O-N 3.39Å; G57-I60 PolarHBondContact O-N 2.96Å; G57-N61 PolarHBondContact O-N 3.26Å
58C91.8Very high93.7Very high19 Ų1969.6 Ų69.613%0.12838%0.377CS..Hα-helixtrans-63.1-39.2172-760000112.9S54 G55 I56 I60 N61 P62 L67 L68S54-C58 WeakPolarHBondContact O-CB 3.39Å; S54-C58 PolarHBondContact O-N 2.98Å; S54-C58 PolarHBondContact O-SG 2.98Å; G55-C58 PolarHBondContact O-N 2.68Å; I56-C58 VanDerWaalsContact C-N 3.32Å; I56-C58 PolarHBondContact O-N 3.35Å; C58-I60 VanDerWaalsContact C-N 3.35Å; C58-N61 CarbonylContact O-C 3.48Å; C58-N61 VanDerWaalsContact O-C 3.25Å; C58-P62 WeakPolarHBondContact O-CA 3.46Å; C58-P62 VanDerWaalsContact O-N 3.14Å; C58-L67 WeakPolarHBondContact SG-CB 3.42Å; C58-L68 WeakPolarHBondContact SG-CA 3.43Å; C58-L68 PolarHBondContact SG-N 2.71Å
59L91.1Very high93.6Very high66 Ų6668.1 Ų68.135%0.34637%0.367SS..Hα-helixtrans-65.5-41.4175-66.8175.5000110.3G55 I56 F199 R203G55-L59 PolarHBondContact O-N 3.47Å; I56-L59 WeakPolarHBondContact O-CB 3.45Å; I56-L59 PolarHBondContact O-N 2.93Å; I56-L59 VanDerWaalsContact O-N 3.1Å; L59-F199 HydrophobicContact CD2-CB 3.8Å; L59-F199 HydrophobicContact CD2-CD1 4.44Å; L59-F199 HydrophobicContact CD2-CD2 3.87Å; L59-F199 HydrophobicContact CD2-CG 3.8Å; L59-R203 PolarHBondContact O-NH1 3.04Å; L59-R203 PolarHBondContact O-NH2 3.28Å
60I92.6Very high93.6Very high137 Ų13763.1 Ų63.170%0.70334%0.342SS*.Hα-helixtrans-67.4-44.5178.1-65.5169.7000111.1I56 G57 C58I56-I60 HydrophobicContact CG2-CD1 3.9Å; I56-I60 WeakPolarHBondContact O-CG1 3.47Å; I56-I60 PolarHBondContact O-N 2.83Å; G57-I60 PolarHBondContact O-N 2.96Å; C58-I60 VanDerWaalsContact C-N 3.35Å
61N90.4Very high93.6Very high69 Ų6961.9 Ų61.937%0.36933%0.334SS..  trans-135.693.7-179-174-3.7000111.7G57 C58 R63 R64G57-N61 PolarHBondContact O-N 3.26Å; C58-N61 CarbonylContact O-C 3.48Å; C58-N61 VanDerWaalsContact O-C 3.25Å; N61-R63 PolarHBondContact O-N 3.42Å; N61-R63 VanDerWaalsContact O-N 3.1Å; N61-R63 WeakPolarHBondContact OD1-CB 3.24Å; N61-R63 PolarHBondContact OD1-N 2.78Å; N61-R63 VanDerWaalsContact OD1-N 3.12Å; N61-R64 HydrophobicContact CB-CG 4.1Å; N61-R64 WeakPolarHBondContact O-CB 3.42Å; N61-R64 PolarHBondContact O-N 2.88Å
62P85.1Confident93.6Very high78 Ų7861.1 Ų61.151%0.50633%0.328SS..THydrogen-bonded Turntrans-63.1-16.5179.6-25.235.2000114.8C58 R64 R203C58-P62 WeakPolarHBondContact O-CA 3.46Å; C58-P62 VanDerWaalsContact O-N 3.14Å; P62-R64 PolarHBondContact O-N 3.29Å; P62-R203 VanDerWaalsContact CG-NH1 3.28Å
63R86.4Confident93.6Very high233 Ų23355.7 Ų55.788%0.87930%0.3SS*.THydrogen-bonded Turntrans-77.2-7.5179.1-60.7-176.1176.9-174.8-1.1113.1N61 A65N61-R63 PolarHBondContact O-N 3.42Å; N61-R63 VanDerWaalsContact O-N 3.1Å; N61-R63 WeakPolarHBondContact OD1-CB 3.24Å; N61-R63 PolarHBondContact OD1-N 2.78Å; N61-R63 VanDerWaalsContact OD1-N 3.12Å; R63-A65 VanDerWaalsContact C-N 3.35Å; R63-A65 PolarHBondContact O-N 3.1Å; R63-A65 VanDerWaalsContact O-N 3.07Å
64R90.2Very high93.6Very high106 Ų10654.3 Ų54.340%0.428%0.283SS..  trans-81.879.6176.3-70.4-68.4-61.1-86.6-2110.7N61 P62 D66 L67 L68N61-R64 HydrophobicContact CB-CG 4.1Å; N61-R64 WeakPolarHBondContact O-CB 3.42Å; N61-R64 PolarHBondContact O-N 2.88Å; P62-R64 PolarHBondContact O-N 3.29Å; R64-D66 WeakPolarHBondContact CA-OD1 3.4Å; R64-D66 WeakPolarHBondContact CB-OD1 3.25Å; R64-D66 IonicContact CZ-OD1 4Å; R64-D66 IonicContact CZ-OD2 3.93Å; R64-D66 IonicContact NE-OD1 3.92Å; R64-D66 PolarHBondContact NE-OD1 3.12Å; R64-D66 IonicContact NE-OD2 2.68Å; R64-D66 PolarHBondContact NE-OD2 2.93Å; R64-D66 IonicContact NH2-OD1 2.98Å; R64-D66 IonicContact NH2-OD2 3.88Å; R64-D66 PolarHBondContact NH2-OD2 3.31Å; R64-D66 PolarHBondContact O-N 2.86Å; R64-L67 HydrophobicContact CB-CB 4.05Å; R64-L67 HydrophobicContact CB-CD1 3.67Å; R64-L67 HydrophobicContact CB-CG 3.8Å; R64-L67 HydrophobicContact CG-CD1 4.05Å; R64-L67 PolarHBondContact O-N 3.18Å; R64-L67 VanDerWaalsContact O-N 3.12Å; R64-L68 PolarHBondContact O-N 2.84Å
65A89.4Confident93.6Very high57 Ų5755.9 Ų55.947%0.47129%0.294SS..Hα-helixtrans-58.2-31.617800000112.6R63 L68 S69R63-A65 VanDerWaalsContact C-N 3.35Å; R63-A65 PolarHBondContact O-N 3.1Å; R63-A65 VanDerWaalsContact O-N 3.07Å; A65-L68 PolarHBondContact O-N 2.84Å; A65-S69 WeakPolarHBondContact O-CB 3.01Å; A65-S69 PolarHBondContact O-N 3.4Å; A65-S69 PolarHBondContact O-OG 3.39Å; A65-S69 VanDerWaalsContact O-OG 3.12Å
66D93.2Very high93.7Very high57 Ų5755.2 Ų55.231%0.30529%0.288SS..Hα-helixtrans-63-40174.663.8-52.8000113.3R64 T70R64-D66 WeakPolarHBondContact CA-OD1 3.4Å; R64-D66 WeakPolarHBondContact CB-OD1 3.25Å; R64-D66 IonicContact CZ-OD1 4Å; R64-D66 IonicContact CZ-OD2 3.93Å; R64-D66 IonicContact NE-OD1 3.92Å; R64-D66 PolarHBondContact NE-OD1 3.12Å; R64-D66 IonicContact NE-OD2 2.68Å; R64-D66 PolarHBondContact NE-OD2 2.93Å; R64-D66 IonicContact NH2-OD1 2.98Å; R64-D66 IonicContact NH2-OD2 3.88Å; R64-D66 PolarHBondContact NH2-OD2 3.31Å; R64-D66 PolarHBondContact O-N 2.86Å; D66-T70 WeakPolarHBondContact O-CB 3.47Å; D66-T70 PolarHBondContact O-N 2.99Å; D66-T70 PolarHBondContact O-OG1 3.01Å
67L95.7Very high93.8Very high34 Ų3454.1 Ų54.118%0.17828%0.28CS..Hα-helixtrans-69-39.2174.4-62.8-178.7000110.4S54 C58 R64 S69 T70 F71S54-L67 WeakPolarHBondContact CB-O 3.41Å; C58-L67 WeakPolarHBondContact SG-CB 3.42Å; R64-L67 HydrophobicContact CB-CB 4.05Å; R64-L67 HydrophobicContact CB-CD1 3.67Å; R64-L67 HydrophobicContact CB-CG 3.8Å; R64-L67 HydrophobicContact CG-CD1 4.05Å; R64-L67 PolarHBondContact O-N 3.18Å; R64-L67 VanDerWaalsContact O-N 3.12Å; L67-S69 VanDerWaalsContact C-N 3.33Å; L67-S69 PolarHBondContact O-N 2.86Å; L67-T70 PolarHBondContact O-N 3.1Å; L67-F71 WeakPolarHBondContact O-CB 3.49Å; L67-F71 PolarHBondContact O-N 3.3Å
68L93.7Very high93.9Very high53 Ų5359.1 Ų59.128%0.27730%0.303SS..Hα-helixtrans-64.8-42.3178.5-177.564.1000110.8C58 R64 A65 G72 M192C58-L68 WeakPolarHBondContact SG-CA 3.43Å; C58-L68 PolarHBondContact SG-N 2.71Å; R64-L68 PolarHBondContact O-N 2.84Å; A65-L68 PolarHBondContact O-N 2.84Å; L68-G72 PolarHBondContact O-N 3.21Å; L68-M192 HydrophobicContact CD1-CB 3.95Å; L68-M192 HydrophobicContact CD1-CE 3.99Å; L68-M192 HydrophobicContact CD2-CE 4.13Å; L68-M192 HydrophobicContact CG-CE 3.71Å
69S95.1Very high94.2Very high17 Ų1758.5 Ų58.512%0.11930%0.299CS..Hα-helixtrans-57.3-51.4172.2-71.40000111.4A65 L67 F71 G72 E73 R158A65-S69 WeakPolarHBondContact O-CB 3.01Å; A65-S69 PolarHBondContact O-N 3.4Å; A65-S69 PolarHBondContact O-OG 3.39Å; A65-S69 VanDerWaalsContact O-OG 3.12Å; L67-S69 VanDerWaalsContact C-N 3.33Å; L67-S69 PolarHBondContact O-N 2.86Å; S69-F71 PolarHBondContact O-N 3.12Å; S69-G72 PolarHBondContact O-N 3.46Å; S69-E73 WeakPolarHBondContact O-CG 3.23Å; S69-E73 PolarHBondContact O-N 3.27Å; S69-R158 VanDerWaalsContact C-NH2 3.28Å; S69-R158 PolarHBondContact O-NH2 3.38Å
70T97.2Very high94.6Very high25 Ų2555.4 Ų55.415%0.15328%0.283CS..Hα-helixtrans-60.3-48.8-179.5-600000110.9L50 D66 L67 G72 E73 T74 F144L50-T70 HydrophobicContact CB-CG2 4.21Å; L50-T70 HydrophobicContact CD2-CG2 4.31Å; D66-T70 WeakPolarHBondContact O-CB 3.47Å; D66-T70 PolarHBondContact O-N 2.99Å; D66-T70 PolarHBondContact O-OG1 3.01Å; L67-T70 PolarHBondContact O-N 3.1Å; T70-G72 VanDerWaalsContact C-N 3.29Å; T70-G72 PolarHBondContact O-N 3.35Å; T70-E73 PolarHBondContact O-N 3.43Å; T70-E73 VanDerWaalsContact O-N 3.15Å; T70-T74 HydrophobicContact CG2-CG2 4.31Å; T70-T74 PolarHBondContact O-N 3.21Å; T70-T74 PolarHBondContact O-OG1 3.26Å; T70-F144 HydrophobicContact CG2-CD2 4.24Å; T70-F144 HydrophobicContact CG2-CE2 4.05Å
71F97.7Very high94.9Very high33 Ų3354 Ų5415%0.14527%0.269CS..Hα-helixtrans-57.2-44178180-120.5000111.7S51 S54 L67 S69 E73 S75 P191 M192S51-F71 VanDerWaalsContact O-CD2 3.26Å; S51-F71 WeakPolarHBondContact O-CD2 3.43Å; S54-F71 WeakPolarHBondContact OG-CA 3.47Å; S54-F71 WeakPolarHBondContact OG-CB 3.39Å; S54-F71 PolarHBondContact OG-N 3.12Å; L67-F71 WeakPolarHBondContact O-CB 3.49Å; L67-F71 PolarHBondContact O-N 3.3Å; S69-F71 PolarHBondContact O-N 3.12Å; F71-E73 PolarHBondContact O-N 3.5Å; F71-S75 VanDerWaalsContact O-CB 3.28Å; F71-S75 WeakPolarHBondContact O-CB 3.36Å; F71-S75 PolarHBondContact O-N 2.79Å; F71-S75 PolarHBondContact O-OG 2.7Å; F71-P191 HydrophobicContact CE1-CB 4.23Å; F71-P191 HydrophobicContact CZ-CB 4.13Å; F71-M192 HydrophobicContact CD1-CB 3.8Å; F71-M192 HydrophobicContact CE1-CB 4.16Å
72G96.9Very high95.3Very high0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-58.7-44.9176.300000113.6L68 S69 T70 G76 M192L68-G72 PolarHBondContact O-N 3.21Å; S69-G72 PolarHBondContact O-N 3.46Å; T70-G72 VanDerWaalsContact C-N 3.29Å; T70-G72 PolarHBondContact O-N 3.35Å; G72-G76 WeakPolarHBondContact O-CA 3.25Å; G72-G76 PolarHBondContact O-N 2.78Å; G72-G76 VanDerWaalsContact O-N 3.09Å; G72-M192 WeakPolarHBondContact CA-SD 3.12Å
73E97.8Very high95.9Very high7 Ų752.4 Ų52.43%0.03325%0.251CS..Hα-helixtrans-69.9-44.2-178.4-68.5174.8-144.900112.3S69 T70 F71 V142 R143 F144 V145 M154 R158S69-E73 WeakPolarHBondContact O-CG 3.23Å; S69-E73 PolarHBondContact O-N 3.27Å; T70-E73 PolarHBondContact O-N 3.43Å; T70-E73 VanDerWaalsContact O-N 3.15Å; F71-E73 PolarHBondContact O-N 3.5Å; E73-V142 HydrophobicContact CG-CG1 4Å; E73-R143 PolarHBondContact OE2-N 3.06Å; E73-F144 HydrophobicContact CB-CB 4.06Å; E73-F144 WeakPolarHBondContact OE2-CD2 3.3Å; E73-F144 PolarHBondContact OE2-N 3.48Å; E73-V145 HydrophobicContact CB-CG2 3.92Å; E73-V145 HydrophobicContact CG-CG2 4.1Å; E73-M154 HydrophobicContact CG-CE 4.34Å; E73-M154 HydrophobicContact CG-CG 4.26Å; E73-R158 VanDerWaalsContact CD-NH2 3.33Å; E73-R158 IonicContact OE1-CZ 3.68Å; E73-R158 IonicContact OE1-NH1 2.88Å; E73-R158 PolarHBondContact OE1-NH1 3.04Å; E73-R158 IonicContact OE1-NH2 2.71Å; E73-R158 PolarHBondContact OE1-NH2 2.89Å
74T97.8Very high96.5Very high12 Ų1242.6 Ų42.67%0.07421%0.214CC..Hα-helixtrans-85.4-17.7-170.860.70000113.2K47 L50 S51 T70 F144K47-T74 HydrophobicContact CG-CG2 4.11Å; L50-T74 HydrophobicContact CB-CG2 3.94Å; L50-T74 HydrophobicContact CD1-CG2 4.32Å; S51-T74 WeakPolarHBondContact CA-OG1 3.35Å; S51-T74 PolarHBondContact N-OG1 3.37Å; S51-T74 WeakPolarHBondContact OG-CB 3.39Å; S51-T74 PolarHBondContact OG-O 3.4Å; S51-T74 PolarHBondContact OG-OG1 3.29Å; T70-T74 HydrophobicContact CG2-CG2 4.31Å; T70-T74 PolarHBondContact O-N 3.21Å; T70-T74 PolarHBondContact O-OG1 3.26Å; T74-F144 HydrophobicContact CG2-CB 3.7Å; T74-F144 HydrophobicContact CG2-CD2 4.3Å; T74-F144 HydrophobicContact CG2-CG 4.1Å
75S97.4Very high96.9Very high38 Ų3841.7 Ų41.727%0.26622%0.218SC..Hα-helixtrans-105.7-16.3176.371.40000114.2S51 F71S51-S75 PolarHBondContact OG-N 2.97Å; F71-S75 VanDerWaalsContact O-CB 3.28Å; F71-S75 WeakPolarHBondContact O-CB 3.36Å; F71-S75 PolarHBondContact O-N 2.79Å; F71-S75 PolarHBondContact O-OG 2.7Å
76G97.3Very high97.3Very high0 Ų044.8 Ų44.80%022%0.217CC..  trans-87.8-2.4-165.300000116.9G72 L78 A79 L80G72-G76 WeakPolarHBondContact O-CA 3.25Å; G72-G76 PolarHBondContact O-N 2.78Å; G72-G76 VanDerWaalsContact O-N 3.09Å; G76-L78 PolarHBondContact O-N 3.39Å; G76-A79 CarbonylContact O-C 3.27Å; G76-A79 WeakPolarHBondContact O-CA 3.5Å; G76-A79 WeakPolarHBondContact O-CB 3.39Å; G76-A79 PolarHBondContact O-N 2.8Å; G76-L80 WeakPolarHBondContact O-CG 3.31Å; G76-L80 PolarHBondContact O-N 3Å
77E97.6Very high97.6Very high81 Ų8142 Ų4238%0.37920%0.202SC..Hα-helixtrans-53.4-47.1-167.1-170.8-176.3151.700113.8A79 L80 R81 L150E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.47Å; E77-L80 PolarHBondContact O-N 3.03Å; E77-R81 WeakPolarHBondContact O-CG 3.22Å; E77-R81 PolarHBondContact O-N 3.28Å; E77-R81 IonicContact OE1-CZ 3.3Å; E77-R81 VanDerWaalsContact OE1-CZ 3.32Å; E77-R81 IonicContact OE1-NE 2.76Å; E77-R81 PolarHBondContact OE1-NE 3.49Å; E77-R81 IonicContact OE1-NH2 3.79Å; E77-R81 PolarHBondContact OE1-NH2 3.01Å; E77-L150 HydrophobicContact CG-CD1 4.33Å
78L97.9Very high97.7Very high119 Ų11942.4 Ų42.462%0.62320%0.204SC*.Hα-helixtrans-63-39.2178.9-179.861.2000112.2G76 K82G76-L78 PolarHBondContact O-N 3.39Å; L78-K82 WeakPolarHBondContact O-CG 3.34Å; L78-K82 PolarHBondContact O-N 3.3Å
79A98.6Very high97.9Very high7 Ų746.2 Ų46.26%0.05823%0.225CC..Hα-helixtrans-67.2-45.2176.100000110.8G76 E77 R81 K82 I83 L189 L190G76-A79 CarbonylContact O-C 3.27Å; G76-A79 WeakPolarHBondContact O-CA 3.5Å; G76-A79 WeakPolarHBondContact O-CB 3.39Å; G76-A79 PolarHBondContact O-N 2.8Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.47Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-R81 PolarHBondContact O-N 3.32Å; A79-K82 WeakPolarHBondContact O-CB 3.44Å; A79-K82 PolarHBondContact O-N 3.37Å; A79-I83 VanDerWaalsContact O-CG1 3.26Å; A79-I83 WeakPolarHBondContact O-CG1 3.4Å; A79-I83 PolarHBondContact O-N 3.28Å; A79-L189 HydrophobicContact CB-CB 4.39Å; A79-L189 WeakPolarHBondContact CB-O 3.17Å; A79-L190 HydrophobicContact CB-CD2 3.97Å; A79-L190 HydrophobicContact CB-CG 4.28Å
80L98.8Very high98Very high0 Ų048 Ų480%023%0.231CC..Hα-helixtrans-57.1-43.9175.8-67.8172.9000112G76 E77 K82 I83 F84 V145 L150 V153 M154 L190G76-L80 WeakPolarHBondContact O-CG 3.31Å; G76-L80 PolarHBondContact O-N 3Å; E77-L80 PolarHBondContact O-N 3.03Å; L80-K82 VanDerWaalsContact C-N 3.32Å; L80-K82 PolarHBondContact O-N 3.48Å; L80-I83 HydrophobicContact CD2-CD1 4.41Å; L80-I83 PolarHBondContact O-N 2.83Å; L80-F84 VanDerWaalsContact O-CB 3.26Å; L80-F84 WeakPolarHBondContact O-CB 3.41Å; L80-F84 PolarHBondContact O-N 3.4Å; L80-V145 HydrophobicContact CD1-CG1 4.15Å; L80-V145 HydrophobicContact CD1-CG2 3.91Å; L80-L150 HydrophobicContact CB-CB 4.25Å; L80-L150 HydrophobicContact CB-CD1 4.46Å; L80-L150 HydrophobicContact CB-CD2 4.25Å; L80-L150 HydrophobicContact CD1-CB 4.48Å; L80-V153 HydrophobicContact CD2-CB 4.46Å; L80-V153 HydrophobicContact CD2-CG1 3.92Å; L80-M154 HydrophobicContact CD1-CB 4.06Å; L80-M154 HydrophobicContact CD2-CB 3.72Å; L80-M154 HydrophobicContact CD2-CG 4.41Å; L80-M154 HydrophobicContact CD2-SD 3.99Å; L80-L190 HydrophobicContact CD2-CD2 4.05Å; L80-L190 HydrophobicContact CG-CD2 4.19Å
81R98.7Very high98Very high108 Ų10850.1 Ų50.141%0.40825%0.246SC..Hα-helixtrans-60.1-40.8174.7-71.1178.2-176.4-73.60.1112.2E77 A79 N85 L150E77-R81 WeakPolarHBondContact O-CG 3.22Å; E77-R81 PolarHBondContact O-N 3.28Å; E77-R81 IonicContact OE1-CZ 3.3Å; E77-R81 VanDerWaalsContact OE1-CZ 3.32Å; E77-R81 IonicContact OE1-NE 2.76Å; E77-R81 PolarHBondContact OE1-NE 3.49Å; E77-R81 IonicContact OE1-NH2 3.79Å; E77-R81 PolarHBondContact OE1-NH2 3.01Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-R81 PolarHBondContact O-N 3.32Å; R81-N85 WeakPolarHBondContact O-CB 3.23Å; R81-N85 VanDerWaalsContact O-CG 3.27Å; R81-N85 PolarHBondContact O-N 3.13Å; R81-N85 PolarHBondContact O-ND2 3.24Å; R81-L150 HydrophobicContact CG-CD1 3.6Å; R81-L150 HydrophobicContact CG-CD2 4.24Å
82K98.6Very high98Very high111 Ų11150.1 Ų50.148%0.48325%0.247SC..Hα-helixtrans-66.6-43.6176.2-72.2178.2178.7-177.70112L78 A79 L80 N85 R86 L189L78-K82 WeakPolarHBondContact O-CG 3.34Å; L78-K82 PolarHBondContact O-N 3.3Å; A79-K82 WeakPolarHBondContact O-CB 3.44Å; A79-K82 PolarHBondContact O-N 3.37Å; L80-K82 VanDerWaalsContact C-N 3.32Å; L80-K82 PolarHBondContact O-N 3.48Å; K82-N85 PolarHBondContact O-N 3.18Å; K82-R86 WeakPolarHBondContact O-CB 3.47Å; K82-R86 PolarHBondContact O-N 2.6Å; K82-L189 HydrophobicContact CD-CD1 4.08Å
83I98.8Very high98.1Very high3 Ų350.1 Ų50.12%0.01525%0.247CC..Hα-helixtrans-60.6-50.8176.5-63.8162.5000109.8A79 L80 N85 R86 M87 V153 T188 L190 F229 M231A79-I83 VanDerWaalsContact O-CG1 3.26Å; A79-I83 WeakPolarHBondContact O-CG1 3.4Å; A79-I83 PolarHBondContact O-N 3.28Å; L80-I83 HydrophobicContact CD2-CD1 4.41Å; L80-I83 PolarHBondContact O-N 2.83Å; I83-N85 PolarHBondContact O-N 2.87Å; I83-R86 CarbonylContact O-C 3.51Å; I83-R86 WeakPolarHBondContact O-CB 3.36Å; I83-R86 PolarHBondContact O-N 2.95Å; I83-R86 VanDerWaalsContact O-N 3.09Å; I83-M87 HydrophobicContact CG2-CG 4.37Å; I83-M87 HydrophobicContact CG2-SD 3.87Å; I83-M87 WeakPolarHBondContact O-CG 3.26Å; I83-M87 PolarHBondContact O-N 3.44Å; I83-V153 HydrophobicContact CB-CG1 3.92Å; I83-V153 HydrophobicContact CG2-CG1 3.39Å; I83-T188 HydrophobicContact CD1-CG2 4.15Å; I83-L190 HydrophobicContact CD1-CD1 4.23Å; I83-L190 HydrophobicContact CD1-CD2 4.44Å; I83-L190 HydrophobicContact CD1-CG 4.07Å; I83-F229 HydrophobicContact CB-CZ 4.28Å; I83-F229 HydrophobicContact CG1-CZ 4.12Å; I83-F229 HydrophobicContact CG2-CE1 4.13Å; I83-F229 HydrophobicContact CG2-CZ 3.85Å; I83-M231 HydrophobicContact CG2-CB 4.11Å; I83-M231 HydrophobicContact CG2-CE 4.18Å; I83-M231 HydrophobicContact CG2-CG 3.91Å
84F98.7Very high98.1Very high27 Ų2750.4 Ų50.412%0.11825%0.25CC..Hα-helixtrans-56.4-49178.5177.4-102.3000112Y14 L80 R86 M87 L88 L97 D149 L150 V153Y14-F84 HydrophobicContact CE1-CZ 4.09Å; Y14-F84 AromaticContact CZ-CZ 3.85Å; Y14-F84 WeakPolarHBondContact OH-CE2 3.32Å; Y14-F84 WeakPolarHBondContact OH-CZ 3.42Å; L80-F84 VanDerWaalsContact O-CB 3.26Å; L80-F84 WeakPolarHBondContact O-CB 3.41Å; L80-F84 PolarHBondContact O-N 3.4Å; F84-R86 VanDerWaalsContact C-N 3.31Å; F84-R86 PolarHBondContact O-N 2.91Å; F84-M87 WeakPolarHBondContact O-CB 3.33Å; F84-M87 PolarHBondContact O-N 2.82Å; F84-M87 VanDerWaalsContact O-N 3.15Å; F84-L88 HydrophobicContact CD1-CD1 3.96Å; F84-L88 HydrophobicContact CD1-CG 4.5Å; F84-L88 HydrophobicContact CE1-CD1 3.31Å; F84-L88 HydrophobicContact CE1-CG 4.08Å; F84-L88 HydrophobicContact CE2-CD1 4.42Å; F84-L88 HydrophobicContact CE2-CG 4.4Å; F84-L88 HydrophobicContact CZ-CD1 3.59Å; F84-L88 HydrophobicContact CZ-CD2 4.33Å; F84-L88 HydrophobicContact CZ-CG 4.01Å; F84-L88 PolarHBondContact O-N 3.33Å; F84-L97 HydrophobicContact CD2-CD1 3.8Å; F84-L97 HydrophobicContact CD2-CD2 3.77Å; F84-L97 HydrophobicContact CD2-CG 4.45Å; F84-L97 HydrophobicContact CE2-CD1 3.67Å; F84-L97 HydrophobicContact CE2-CD2 3.94Å; F84-L97 HydrophobicContact CE2-CG 4.38Å; F84-D149 HydrophobicContact CD2-CB 4.22Å; F84-D149 HydrophobicContact CE2-CB 3.67Å; F84-D149 HydrophobicContact CZ-CB 4.13Å; F84-L150 HydrophobicContact CB-CD2 3.7Å; F84-L150 HydrophobicContact CD1-CD2 4.44Å; F84-L150 HydrophobicContact CG-CD2 3.99Å; F84-V153 HydrophobicContact CB-CG2 4.13Å; F84-V153 HydrophobicContact CD2-CG2 3.92Å
85N98.5Very high98.1Very high87 Ų8753.1 Ų53.147%0.46526%0.259SS..Hα-helixtrans-61.5-38.7175.6-75-27.3000112.2R81 K82 I83 M87 L88 N89R81-N85 WeakPolarHBondContact O-CB 3.23Å; R81-N85 VanDerWaalsContact O-CG 3.27Å; R81-N85 PolarHBondContact O-N 3.13Å; R81-N85 PolarHBondContact O-ND2 3.24Å; K82-N85 PolarHBondContact O-N 3.18Å; I83-N85 PolarHBondContact O-N 2.87Å; N85-M87 VanDerWaalsContact C-N 3.34Å; N85-L88 PolarHBondContact O-N 3.28Å; N85-N89 PolarHBondContact O-N 3.39Å; N85-N89 PolarHBondContact O-ND2 3.47Å
86R98.4Very high98.1Very high121 Ų12151.5 Ų51.546%0.45725%0.247SC..Hα-helixtrans-66.4-37.1175.8-171.2170.9-179.3-175.74.3111.7K82 I83 F84 N89 H90 F229K82-R86 WeakPolarHBondContact O-CB 3.47Å; K82-R86 PolarHBondContact O-N 2.6Å; I83-R86 CarbonylContact O-C 3.51Å; I83-R86 WeakPolarHBondContact O-CB 3.36Å; I83-R86 PolarHBondContact O-N 2.95Å; I83-R86 VanDerWaalsContact O-N 3.09Å; F84-R86 VanDerWaalsContact C-N 3.31Å; F84-R86 PolarHBondContact O-N 2.91Å; R86-N89 PolarHBondContact O-N 2.92Å; R86-H90 PolarHBondContact O-N 3.12Å; R86-F229 HydrophobicContact CB-CD1 4.32Å; R86-F229 HydrophobicContact CB-CE1 3.93Å; R86-F229 VanDerWaalsContact CD-CD1 3.44Å; R86-F229 HydrophobicContact CG-CD1 3.67Å; R86-F229 HydrophobicContact CG-CE1 3.79Å; R86-F229 HydrophobicContact CG-CG 4.42Å; R86-F229 VanDerWaalsContact NH1-CD2 3.33Å
87M98.6Very high98.2Very high0 Ų051.6 Ų51.60%025%0.247CC..Hα-helixtrans-66.1-44.4174.3-69.8173.277.500111.8I83 F84 N85 N89 H90 G93 C94 I96 L97 V153 F229 M231I83-M87 HydrophobicContact CG2-CG 4.37Å; I83-M87 HydrophobicContact CG2-SD 3.87Å; I83-M87 WeakPolarHBondContact O-CG 3.26Å; I83-M87 PolarHBondContact O-N 3.44Å; F84-M87 WeakPolarHBondContact O-CB 3.33Å; F84-M87 PolarHBondContact O-N 2.82Å; F84-M87 VanDerWaalsContact O-N 3.15Å; N85-M87 VanDerWaalsContact C-N 3.34Å; M87-N89 PolarHBondContact O-N 3.35Å; M87-H90 PolarHBondContact O-N 2.8Å; M87-G93 CarbonylContact O-C 3.56Å; M87-G93 VanDerWaalsContact O-C 3.27Å; M87-G93 WeakPolarHBondContact O-CA 3.32Å; M87-C94 PolarHBondContact O-N 3.38Å; M87-C94 VanDerWaalsContact O-N 3.13Å; M87-I96 HydrophobicContact CE-CB 4.15Å; M87-I96 HydrophobicContact CE-CG2 3.68Å; M87-L97 HydrophobicContact CB-CD1 3.68Å; M87-L97 HydrophobicContact CB-CG 4.09Å; M87-L97 HydrophobicContact CE-CD2 3.75Å; M87-L97 HydrophobicContact CE-CG 3.87Å; M87-L97 HydrophobicContact SD-CD2 4.11Å; M87-L97 HydrophobicContact SD-CG 4.47Å; M87-V153 HydrophobicContact SD-CG1 4.4Å; M87-V153 HydrophobicContact SD-CG2 4.01Å; M87-F229 HydrophobicContact CG-CE1 4.36Å; M87-M231 WeakPolarHBondContact CE-O 3.42Å; M87-M231 HydrophobicContact CG-CB 4.35Å; M87-M231 HydrophobicContact SD-CB 4.19Å; M87-M231 HydrophobicContact SD-CE 4.33Å
88L98.1Very high98.2Very high42 Ų4252 Ų5222%0.2225%0.245CC..Hα-helixtrans-61.3-24.5174.7-75.7179.6000113.8Y14 F84 N85 H90 C94 L97Y14-L88 HydrophobicContact CD1-CD2 3.93Å; Y14-L88 HydrophobicContact CE1-CD2 3.89Å; Y14-L88 HydrophobicContact CG-CD2 4.35Å; F84-L88 HydrophobicContact CD1-CD1 3.96Å; F84-L88 HydrophobicContact CD1-CG 4.5Å; F84-L88 HydrophobicContact CE1-CD1 3.31Å; F84-L88 HydrophobicContact CE1-CG 4.08Å; F84-L88 HydrophobicContact CE2-CD1 4.42Å; F84-L88 HydrophobicContact CE2-CG 4.4Å; F84-L88 HydrophobicContact CZ-CD1 3.59Å; F84-L88 HydrophobicContact CZ-CD2 4.33Å; F84-L88 HydrophobicContact CZ-CG 4.01Å; F84-L88 PolarHBondContact O-N 3.33Å; N85-L88 PolarHBondContact O-N 3.28Å; L88-H90 VanDerWaalsContact C-N 3.35Å; L88-C94 VanDerWaalsContact C-SG 3.54Å; L88-C94 PolarHBondContact O-SG 3.46Å; L88-L97 HydrophobicContact CD2-CD1 3.66Å; L88-L97 HydrophobicContact CG-CD1 3.78Å
89N97.9Very high98.1Very high133 Ų13349 Ų4971%0.71123%0.23SC*.THydrogen-bonded Turntrans-92.87.1177.2-73.6-66.6000113.3N85 R86 M87N85-N89 PolarHBondContact O-N 3.39Å; N85-N89 PolarHBondContact O-ND2 3.47Å; R86-N89 PolarHBondContact O-N 2.92Å; M87-N89 PolarHBondContact O-N 3.35Å
90H97.3Very high98Very high53 Ų5353.2 Ų53.225%0.24524%0.244CC..SBendtrans-123.2130.5178.9-170-72.9000110.6R86 M87 L88 D92 G93 C94 R228 C232R86-H90 PolarHBondContact O-N 3.12Å; M87-H90 PolarHBondContact O-N 2.8Å; L88-H90 VanDerWaalsContact C-N 3.35Å; H90-D92 IonicContact CE1-OD2 3.03Å; H90-D92 PolarHBondContact ND1-N 3.06Å; H90-D92 VanDerWaalsContact ND1-N 3.1Å; H90-D92 PolarHBondContact O-N 3.13Å; H90-G93 PolarHBondContact ND1-N 3.26Å; H90-G93 WeakPolarHBondContact O-CA 3.32Å; H90-G93 PolarHBondContact O-N 3.36Å; H90-C94 PolarHBondContact O-N 3.44Å; H90-R228 PolarHBondContact CE1-NH2 2.99Å; H90-C232 HydrophobicContact CB-CB 4.17Å; H90-C232 VanDerWaalsContact CB-SG 3.56Å
91P97.4Very high97.8Very high71 Ų7156.5 Ų56.546%0.46126%0.262SS..Hα-helixtrans-51.1-49.9-178.5-28.335.2000113.7C94 R95P91-C94 WeakPolarHBondContact O-CB 3.19Å; P91-C94 PolarHBondContact O-N 3.2Å; P91-R95 WeakPolarHBondContact O-CG 3.48Å; P91-R95 PolarHBondContact O-N 2.71Å; P91-R95 VanDerWaalsContact O-N 3.14Å
92D97.6Very high97.6Very high32 Ų3253 Ų5317%0.17125%0.252CS..Hα-helixtrans-71.9-30.8177.7-60.7-30.7000113.4H90 C94 R95 I96 R228 C232H90-D92 IonicContact CE1-OD2 3.03Å; H90-D92 PolarHBondContact ND1-N 3.06Å; H90-D92 VanDerWaalsContact ND1-N 3.1Å; H90-D92 PolarHBondContact O-N 3.13Å; D92-C94 VanDerWaalsContact C-N 3.35Å; D92-R95 PolarHBondContact O-N 3.15Å; D92-R95 IonicContact OD1-CZ 3.19Å; D92-R95 VanDerWaalsContact OD1-CZ 3.27Å; D92-R95 IonicContact OD1-NE 3.84Å; D92-R95 PolarHBondContact OD1-NE 3.22Å; D92-R95 IonicContact OD1-NH2 3.82Å; D92-R95 PolarHBondContact OD1-NH2 3.3Å; D92-I96 WeakPolarHBondContact O-CD1 3.38Å; D92-I96 VanDerWaalsContact O-CG1 3.23Å; D92-I96 WeakPolarHBondContact O-CG1 3.5Å; D92-I96 PolarHBondContact O-N 3.03Å; D92-R228 IonicContact OD2-CZ 3.5Å; D92-R228 IonicContact OD2-NH1 3.46Å; D92-R228 IonicContact OD2-NH2 3.71Å; D92-R228 PolarHBondContact OD2-NH2 3.23Å; D92-C232 WeakPolarHBondContact CB-O 3.47Å
93G98Very high97.5Very high0 Ų047.8 Ų47.80%023%0.23CC..Hα-helixtrans-63.5-42.6173.700000111.3M87 H90 R95 I96 L97M87-G93 CarbonylContact O-C 3.56Å; M87-G93 VanDerWaalsContact O-C 3.27Å; M87-G93 WeakPolarHBondContact O-CA 3.32Å; H90-G93 PolarHBondContact ND1-N 3.26Å; H90-G93 WeakPolarHBondContact O-CA 3.32Å; H90-G93 PolarHBondContact O-N 3.36Å; G93-R95 PolarHBondContact O-N 2.93Å; G93-I96 PolarHBondContact O-N 3.1Å; G93-L97 WeakPolarHBondContact O-CG 3.47Å; G93-L97 PolarHBondContact O-N 3.33Å
94C97.9Very high97.4Very high13 Ų1348.3 Ų48.39%0.08823%0.231CC..Hα-helixtrans-59.9-43.1172-720000112.5M87 L88 H90 P91 D92 L97 R98M87-C94 PolarHBondContact O-N 3.38Å; M87-C94 VanDerWaalsContact O-N 3.13Å; L88-C94 VanDerWaalsContact C-SG 3.54Å; L88-C94 PolarHBondContact O-SG 3.46Å; H90-C94 PolarHBondContact O-N 3.44Å; P91-C94 WeakPolarHBondContact O-CB 3.19Å; P91-C94 PolarHBondContact O-N 3.2Å; D92-C94 VanDerWaalsContact C-N 3.35Å; C94-L97 PolarHBondContact O-N 2.8Å; C94-R98 WeakPolarHBondContact O-CB 3.48Å; C94-R98 PolarHBondContact O-N 3.12Å
95R98.1Very high97.3Very high70 Ų7050.3 Ų50.326%0.26425%0.246SC..Hα-helixtrans-60.7-48.1176.6-65.3-164.7-68.2146.2-1.1110.5P91 D92 G93 L97 R98 D99 Y234 E237P91-R95 WeakPolarHBondContact O-CG 3.48Å; P91-R95 PolarHBondContact O-N 2.71Å; P91-R95 VanDerWaalsContact O-N 3.14Å; D92-R95 PolarHBondContact O-N 3.15Å; D92-R95 IonicContact OD1-CZ 3.19Å; D92-R95 VanDerWaalsContact OD1-CZ 3.27Å; D92-R95 IonicContact OD1-NE 3.84Å; D92-R95 PolarHBondContact OD1-NE 3.22Å; D92-R95 IonicContact OD1-NH2 3.82Å; D92-R95 PolarHBondContact OD1-NH2 3.3Å; G93-R95 PolarHBondContact O-N 2.93Å; R95-L97 PolarHBondContact O-N 3.49Å; R95-R98 PolarHBondContact O-N 3.18Å; R95-R98 VanDerWaalsContact O-N 3.16Å; R95-D99 WeakPolarHBondContact O-CB 3.37Å; R95-D99 PolarHBondContact O-N 3.07Å; R95-Y234 HydrophobicContact CB-CD2 4.16Å; R95-Y234 HydrophobicContact CB-CE2 3.86Å; R95-E237 IonicContact CZ-OE1 3.63Å; R95-E237 IonicContact CZ-OE2 2.75Å; R95-E237 IonicContact NH1-OE1 3.14Å; R95-E237 PolarHBondContact NH1-OE1 2.84Å; R95-E237 IonicContact NH1-OE2 2.76Å; R95-E237 PolarHBondContact NH1-OE2 2.81Å; R95-E237 IonicContact NH2-OE1 3.4Å; R95-E237 IonicContact NH2-OE2 3.13Å; R95-E237 PolarHBondContact NH2-OE2 2.86Å
96I98.2Very high97.1Very high3 Ų352.2 Ų52.22%0.01526%0.256CS..Hα-helixtrans-59.7-43.8178.1-67.1163.1000111.8M87 D92 G93 R98 R100 Y152 R156 Y234M87-I96 HydrophobicContact CE-CB 4.15Å; M87-I96 HydrophobicContact CE-CG2 3.68Å; D92-I96 WeakPolarHBondContact O-CD1 3.38Å; D92-I96 VanDerWaalsContact O-CG1 3.23Å; D92-I96 WeakPolarHBondContact O-CG1 3.5Å; D92-I96 PolarHBondContact O-N 3.03Å; G93-I96 PolarHBondContact O-N 3.1Å; I96-R98 VanDerWaalsContact C-N 3.33Å; I96-R98 PolarHBondContact O-N 3.24Å; I96-R100 PolarHBondContact O-N 2.68Å; I96-Y152 HydrophobicContact CG2-CE1 4.19Å; I96-Y152 WeakPolarHBondContact CG2-OH 3.39Å; I96-Y152 WeakPolarHBondContact O-CE1 3.31Å; I96-Y152 PolarHBondContact O-OH 3.33Å; I96-R156 HydrophobicContact CG2-CG 4.39Å; I96-Y234 HydrophobicContact CD1-CD2 4.39Å; I96-Y234 HydrophobicContact CD1-CG 4.41Å; I96-Y234 HydrophobicContact CG1-CD2 3.64Å; I96-Y234 HydrophobicContact CG1-CE2 4.02Å; I96-Y234 HydrophobicContact CG1-CG 3.98Å
97L98.3Very high97Very high2 Ų250 Ų501%0.0126%0.256CS..Hα-helixtrans-66.3-33.5177.6-71175.7000113Y14 F84 M87 L88 G93 C94 R95 R100 Y152 V153Y14-L97 HydrophobicContact CE2-CB 4.37Å; F84-L97 HydrophobicContact CD2-CD1 3.8Å; F84-L97 HydrophobicContact CD2-CD2 3.77Å; F84-L97 HydrophobicContact CD2-CG 4.45Å; F84-L97 HydrophobicContact CE2-CD1 3.67Å; F84-L97 HydrophobicContact CE2-CD2 3.94Å; F84-L97 HydrophobicContact CE2-CG 4.38Å; M87-L97 HydrophobicContact CB-CD1 3.68Å; M87-L97 HydrophobicContact CB-CG 4.09Å; M87-L97 HydrophobicContact CE-CD2 3.75Å; M87-L97 HydrophobicContact CE-CG 3.87Å; M87-L97 HydrophobicContact SD-CD2 4.11Å; M87-L97 HydrophobicContact SD-CG 4.47Å; L88-L97 HydrophobicContact CD2-CD1 3.66Å; L88-L97 HydrophobicContact CG-CD1 3.78Å; G93-L97 WeakPolarHBondContact O-CG 3.47Å; G93-L97 PolarHBondContact O-N 3.33Å; C94-L97 PolarHBondContact O-N 2.8Å; R95-L97 PolarHBondContact O-N 3.49Å; L97-R100 VanDerWaalsContact O-CG 3.26Å; L97-R100 WeakPolarHBondContact O-CG 3.27Å; L97-Y152 HydrophobicContact CD2-CD1 4.11Å; L97-Y152 HydrophobicContact CD2-CE1 4.24Å; L97-V153 HydrophobicContact CD2-CG2 3.72Å
98R97.4Very high96.9Very high90 Ų9050.4 Ų50.434%0.3426%0.259SS..Hα-helixtrans-75-49.3177.8179.8-164.465.7-156.6-5111.6R17 C94 R95 I96 R100R17-R98 PolarHBondContact NH1-O 3.27Å; C94-R98 WeakPolarHBondContact O-CB 3.48Å; C94-R98 PolarHBondContact O-N 3.12Å; R95-R98 PolarHBondContact O-N 3.18Å; R95-R98 VanDerWaalsContact O-N 3.16Å; I96-R98 VanDerWaalsContact C-N 3.33Å; I96-R98 PolarHBondContact O-N 3.24Å; R98-R100 VanDerWaalsContact C-N 3.35Å
99D97.4Very high96.9Very high55 Ų5552.8 Ų52.829%0.29427%0.272SS..Hα-helixtrans-75.1-28.8-171.9-60.4-15.4000111.3R95 L101 Y234R95-D99 WeakPolarHBondContact O-CB 3.37Å; R95-D99 PolarHBondContact O-N 3.07Å; D99-L101 HydrophobicContact CB-CD2 4.42Å; D99-L101 HydrophobicContact CB-CG 4.14Å; D99-L101 PolarHBondContact O-N 3.11Å; D99-Y234 PolarHBondContact OD2-OH 3.35Å
100R96.6Very high96.9Very high97 Ų9747.5 Ų47.537%0.36624%0.243SC..  trans51.538.9179.3-64.5-166.7174.5-174.9-1.6114.1I96 L97 R98 D149 Y152I96-R100 PolarHBondContact O-N 2.68Å; L97-R100 VanDerWaalsContact O-CG 3.26Å; L97-R100 WeakPolarHBondContact O-CG 3.27Å; R98-R100 VanDerWaalsContact C-N 3.35Å; R100-D149 IonicContact CZ-OD1 3.75Å; R100-D149 IonicContact NH2-OD1 2.67Å; R100-D149 PolarHBondContact NH2-OD1 3.14Å; R100-D149 IonicContact NH2-OD2 4Å; R100-Y152 VanDerWaalsContact CA-CE2 3.48Å; R100-Y152 VanDerWaalsContact CA-CZ 3.41Å; R100-Y152 VanDerWaalsContact CA-OH 3.32Å; R100-Y152 WeakPolarHBondContact CA-OH 3.46Å; R100-Y152 HydrophobicContact CB-CD2 4.07Å; R100-Y152 HydrophobicContact CB-CE2 3.8Å; R100-Y152 HydrophobicContact CG-CD1 4.15Å; R100-Y152 HydrophobicContact CG-CD2 4.13Å; R100-Y152 HydrophobicContact CG-CE1 4.18Å; R100-Y152 HydrophobicContact CG-CE2 4.18Å; R100-Y152 HydrophobicContact CG-CG 4.13Å
101L93.1Very high96.9Very high69 Ų6949.3 Ų49.336%0.36126%0.255SS..  trans-64.5143.5178.5-61.3-168.1000111.2D99 Y152 Y234 E236D99-L101 HydrophobicContact CB-CD2 4.42Å; D99-L101 HydrophobicContact CB-CG 4.14Å; D99-L101 PolarHBondContact O-N 3.11Å; L101-Y152 PolarHBondContact N-OH 2.85Å; L101-Y152 PolarHBondContact O-OH 3.27Å; L101-Y234 HydrophobicContact CD1-CE1 3.54Å; L101-Y234 WeakPolarHBondContact CD1-OH 3.47Å; L101-Y234 HydrophobicContact CG-CE1 4.49Å; L101-E236 HydrophobicContact CD1-CB 4.34Å; L101-E236 HydrophobicContact CD1-CG 4.2Å
102T94.9Very high96.9Very high35 Ų3548.5 Ų48.522%0.21525%0.251CS..  trans-113.9152.2174.854.70000109.5T107 L155 E159T102-T107 WeakPolarHBondContact O-CB 3.46Å; T102-T107 PolarHBondContact O-OG1 3.27Å; T102-T107 WeakPolarHBondContact OG1-CG2 3.44Å; T102-L155 HydrophobicContact CG2-CD2 4.19Å; T102-E159 WeakPolarHBondContact CA-OE2 3.39Å; T102-E159 WeakPolarHBondContact CB-OE2 3.48Å
103I96.3Very high97Very high1 Ų147.5 Ų47.51%0.00525%0.245CC..  trans-107.697.7177.1-56.7179.3000107.5V108 P136 E159 I160 L163 E236I103-V108 HydrophobicContact CG2-CG2 4.16Å; I103-P136 HydrophobicContact CG2-CB 4.33Å; I103-P136 WeakPolarHBondContact O-CB 3.39Å; I103-E159 HydrophobicContact CB-CB 4.19Å; I103-E159 PolarHBondContact N-OE2 3.31Å; I103-I160 HydrophobicContact CD1-CG2 4.07Å; I103-L163 HydrophobicContact CD1-CD1 3.3Å; I103-L163 HydrophobicContact CD1-CG 4.49Å; I103-E236 WeakPolarHBondContact CG1-OE1 3.44Å
104R96.6Very high97Very high13 Ų1351.4 Ų51.45%0.04926%0.26CS..SBendtrans-148.1164.7-175-66-162.6113.390.81109.8N106 T107 V108 D137 R139 Y141 E159R104-N106 WeakPolarHBondContact CB-OD1 3.45Å; R104-N106 PolarHBondContact O-N 3.32Å; R104-T107 PolarHBondContact N-OG1 3.34Å; R104-T107 PolarHBondContact O-N 2.97Å; R104-T107 PolarHBondContact O-OG1 2.93Å; R104-T107 VanDerWaalsContact O-OG1 3.12Å; R104-V108 PolarHBondContact O-N 2.88Å; R104-D137 WeakPolarHBondContact CA-OD1 3.47Å; R104-D137 VanDerWaalsContact CB-OD1 3.27Å; R104-D137 WeakPolarHBondContact CB-OD1 3.23Å; R104-D137 IonicContact NE-OD1 2.85Å; R104-D137 PolarHBondContact NH2-O 3.45Å; R104-R139 PolarHBondContact NH2-O 2.87Å; R104-Y141 WeakPolarHBondContact CD-OH 3.36Å; R104-Y141 PolarHBondContact NE-OH 3.44Å; R104-E159 IonicContact CZ-OE1 2.8Å; R104-E159 IonicContact NH1-OE1 3.34Å; R104-E159 PolarHBondContact NH1-OE1 2.97Å
105T96Very high97Very high69 Ų6958.8 Ų58.842%0.42329%0.291SS..THydrogen-bonded Turntrans-64.1-23.7-178.260.10000113.1L110 P136 D137T105-L110 HydrophobicContact CG2-CD1 4.08Å; T105-P136 HydrophobicContact CG2-CG 4.14Å; T105-D137 WeakPolarHBondContact CB-OD2 3.45Å; T105-D137 WeakPolarHBondContact CG2-OD2 3.48Å; T105-D137 PolarHBondContact N-OD1 3.29Å; T105-D137 PolarHBondContact OG1-OD1 3.31Å; T105-D137 PolarHBondContact OG1-OD2 3.09Å
106N95.4Very high97.1Very high128 Ų12856.7 Ų56.768%0.68429%0.285SS*.THydrogen-bonded Turntrans-84.2-10.1175.468.2-25000114.1R104R104-N106 WeakPolarHBondContact CB-OD1 3.45Å; R104-N106 PolarHBondContact O-N 3.32Å
107T96Very high97.1Very high74 Ų7460.9 Ų60.945%0.45431%0.312SS..THydrogen-bonded Turntrans-115.8-23.9178.857.50000113.4T102 R104T102-T107 WeakPolarHBondContact O-CB 3.46Å; T102-T107 PolarHBondContact O-OG1 3.27Å; T102-T107 WeakPolarHBondContact OG1-CG2 3.44Å; R104-T107 PolarHBondContact N-OG1 3.34Å; R104-T107 PolarHBondContact O-N 2.97Å; R104-T107 PolarHBondContact O-OG1 2.93Å; R104-T107 VanDerWaalsContact O-OG1 3.12Å
108V96.5Very high97.1Very high9 Ų970.7 Ų70.76%0.05535%0.354CS..SBendtrans-121118.4-180-177.40000109.5I103 R104 L110 L113 W239I103-V108 HydrophobicContact CG2-CG2 4.16Å; R104-V108 PolarHBondContact O-N 2.88Å; V108-L110 HydrophobicContact CG1-CD2 4.06Å; V108-L110 PolarHBondContact O-N 2.91Å; V108-L113 HydrophobicContact CG1-CD1 3.76Å; V108-L113 HydrophobicContact CG1-CG 4.35Å; V108-W239 HydrophobicContact CG1-CZ2 4.02Å; V108-W239 HydrophobicContact CG2-CZ2 4.26Å
109D97.4Very high97.1Very high92 Ų9268 Ų6849%0.49236%0.355SS..  trans-74.591.2174.1-179.3-5.3000110.7D111 S112 L113D109-D111 PolarHBondContact O-N 3.5Å; D109-D111 PolarHBondContact OD1-N 3.48Å; D109-S112 VanDerWaalsContact CG-CB 3.48Å; D109-S112 VanDerWaalsContact CG-OG 3.23Å; D109-S112 PolarHBondContact O-N 2.59Å; D109-S112 PolarHBondContact OD1-N 2.87Å; D109-S112 VanDerWaalsContact OD2-CB 3.3Å; D109-S112 WeakPolarHBondContact OD2-CB 3.46Å; D109-S112 PolarHBondContact OD2-OG 3.26Å; D109-L113 PolarHBondContact O-N 3.19Å; D109-L113 VanDerWaalsContact O-N 3.13Å
110L97.8Very high97.1Very high21 Ų2166 Ų6611%0.1134%0.344CS..Hα-helixtrans-62.8-29179.3-61.4-176.6000112.7T105 V108 L113 R114 Y125 L129 P136T105-L110 HydrophobicContact CG2-CD1 4.08Å; V108-L110 HydrophobicContact CG1-CD2 4.06Å; V108-L110 PolarHBondContact O-N 2.91Å; L110-L113 HydrophobicContact CD2-CD1 4.22Å; L110-L113 PolarHBondContact O-N 2.84Å; L110-R114 VanDerWaalsContact O-CG 3.32Å; L110-R114 WeakPolarHBondContact O-CG 3.41Å; L110-R114 PolarHBondContact O-N 3.12Å; L110-Y125 HydrophobicContact CD2-CE1 4.29Å; L110-L129 HydrophobicContact CD1-CD1 4.11Å; L110-L129 HydrophobicContact CD2-CD1 4.03Å; L110-P136 HydrophobicContact CD1-CG 4.29Å
111D98.1Very high97.2Very high91 Ų9161.3 Ų61.349%0.48733%0.327SS..Hα-helixtrans-72.1-34.9178.1-73.2-28.5000111.8D109 R114 K115D109-D111 PolarHBondContact O-N 3.5Å; D109-D111 PolarHBondContact OD1-N 3.48Å; D111-R114 PolarHBondContact O-N 2.7Å; D111-R114 IonicContact OD1-CZ 2.79Å; D111-R114 IonicContact OD1-NH1 3.33Å; D111-R114 PolarHBondContact OD1-NH1 2.75Å; D111-K115 WeakPolarHBondContact O-CG 3.19Å; D111-K115 PolarHBondContact O-N 3.45Å
112S98.3Very high97.5Very high55 Ų5558 Ų5839%0.38531%0.31SS..Hα-helixtrans-64.5-43.5169.1-740000111.4D109 R114 K115 L116D109-S112 VanDerWaalsContact CG-CB 3.48Å; D109-S112 VanDerWaalsContact CG-OG 3.23Å; D109-S112 PolarHBondContact O-N 2.59Å; D109-S112 PolarHBondContact OD1-N 2.87Å; D109-S112 VanDerWaalsContact OD2-CB 3.3Å; D109-S112 WeakPolarHBondContact OD2-CB 3.46Å; D109-S112 PolarHBondContact OD2-OG 3.26Å; S112-R114 VanDerWaalsContact C-N 3.3Å; S112-R114 PolarHBondContact O-N 3.19Å; S112-K115 PolarHBondContact O-N 3.31Å; S112-L116 PolarHBondContact O-N 2.99Å
113L98.5Very high97.7Very high10 Ų1060 Ų605%0.05232%0.315CS..Hα-helixtrans-60.4-39.1174.5-61-167.1000112.4V108 D109 L110 K115 L116 K123 Y125 A126 W239V108-L113 HydrophobicContact CG1-CD1 3.76Å; V108-L113 HydrophobicContact CG1-CG 4.35Å; D109-L113 PolarHBondContact O-N 3.19Å; D109-L113 VanDerWaalsContact O-N 3.13Å; L110-L113 HydrophobicContact CD2-CD1 4.22Å; L110-L113 PolarHBondContact O-N 2.84Å; L113-K115 PolarHBondContact O-N 3.01Å; L113-L116 HydrophobicContact CD2-CD1 3.85Å; L113-L116 WeakPolarHBondContact O-CB 3.35Å; L113-L116 PolarHBondContact O-N 3.26Å; L113-K123 WeakPolarHBondContact O-CA 3.17Å; L113-Y125 HydrophobicContact CD1-CD1 4Å; L113-A126 HydrophobicContact CB-CB 4.06Å; L113-W239 HydrophobicContact CD1-CD2 4.05Å; L113-W239 HydrophobicContact CD1-CE3 3.89Å; L113-W239 HydrophobicContact CD1-CH2 4.39Å; L113-W239 HydrophobicContact CD1-CZ3 4.06Å; L113-W239 HydrophobicContact CD2-CB 3.68Å; L113-W239 HydrophobicContact CD2-CD2 3.83Å; L113-W239 HydrophobicContact CD2-CE3 4.21Å; L113-W239 HydrophobicContact CD2-CG 3.59Å
114R98.3Very high97.8Very high82 Ų8261.3 Ų61.331%0.30933%0.326SS..Hα-helixtrans-63.5-21.7173.6-74.3178.5-171.8104.26.4113.2L110 D111 S112 K123 A126 D130L110-R114 VanDerWaalsContact O-CG 3.32Å; L110-R114 WeakPolarHBondContact O-CG 3.41Å; L110-R114 PolarHBondContact O-N 3.12Å; D111-R114 PolarHBondContact O-N 2.7Å; D111-R114 IonicContact OD1-CZ 2.79Å; D111-R114 IonicContact OD1-NH1 3.33Å; D111-R114 PolarHBondContact OD1-NH1 2.75Å; S112-R114 VanDerWaalsContact C-N 3.3Å; S112-R114 PolarHBondContact O-N 3.19Å; R114-K123 WeakPolarHBondContact O-CD 3.37Å; R114-K123 WeakPolarHBondContact O-CE 3.39Å; R114-K123 PolarHBondContact O-NZ 3.36Å; R114-A126 HydrophobicContact CG-CB 3.75Å; R114-D130 IonicContact CZ-OD1 2.64Å; R114-D130 IonicContact NE-OD1 3.53Å; R114-D130 PolarHBondContact NE-OD1 3.29Å; R114-D130 VanDerWaalsContact NE-OD1 3.14Å; R114-D130 IonicContact NE-OD2 3.53Å; R114-D130 PolarHBondContact NE-OD2 2.95Å; R114-D130 VanDerWaalsContact NE-OD2 3.13Å; R114-D130 IonicContact NH2-OD1 3.27Å; R114-D130 PolarHBondContact NH2-OD1 3.01Å
115K98.5Very high97.9Very high169 Ų16960.7 Ų60.774%0.73532%0.324SS*.Hα-helixtrans-91.7-12.9179.5-70166.3-170.4166.70113.4D111 S112 L113D111-K115 WeakPolarHBondContact O-CG 3.19Å; D111-K115 PolarHBondContact O-N 3.45Å; S112-K115 PolarHBondContact O-N 3.31Å; L113-K115 PolarHBondContact O-N 3.01Å
116L98.7Very high98Very high26 Ų2657.4 Ų57.414%0.13630%0.304CS..SBendtrans-58.8154.3179-67.9175.2000112.7S112 L113 T120 K123 W239 E240S112-L116 PolarHBondContact O-N 2.99Å; L113-L116 HydrophobicContact CD2-CD1 3.85Å; L113-L116 WeakPolarHBondContact O-CB 3.35Å; L113-L116 PolarHBondContact O-N 3.26Å; L116-T120 WeakPolarHBondContact CB-OG1 3.33Å; L116-K123 HydrophobicContact CB-CB 4.15Å; L116-K123 WeakPolarHBondContact O-CD 3.36Å; L116-W239 HydrophobicContact CD1-CB 4.24Å; L116-W239 WeakPolarHBondContact CD1-O 3.26Å; L116-E240 HydrophobicContact CD2-CG 3.91Å
117P98.5Very high98.1Very high90 Ų9058.4 Ų58.458%0.58430%0.302SS*.PPolyproline II helixtrans-55.2149176.1-25.934.7000112.9G119 T120P117-G119 PolarHBondContact O-N 3.4Å; P117-T120 HydrophobicContact CB-CG2 4.24Å; P117-T120 WeakPolarHBondContact O-CG2 3.39Å; P117-T120 PolarHBondContact O-N 3.03Å; P117-T120 PolarHBondContact O-OG1 2.93Å
118K98.2Very high98.2Very high208 Ų20855.8 Ų55.890%0.90429%0.285SS*.THydrogen-bonded Turntrans-59.9134.1173.7-177.2-177.2176.1-173.80109.5
119G97.7Very high98.3Very high34 Ų3455.5 Ų55.535%0.35128%0.283SS..THydrogen-bonded Turntrans98.9-10.4-179.900000113.8P117 L243P117-G119 PolarHBondContact O-N 3.4Å; G119-L243 VanDerWaalsContact O-CB 3.32Å; G119-L243 WeakPolarHBondContact O-CB 3.28Å; G119-L243 PolarHBondContact O-N 3.16Å
120T98.7Very high98.4Very high12 Ų1255.1 Ų55.17%0.07428%0.281CS..BIsolated β-bridgetrans-73.2150.5171.558.30000111.9L116 P117 K123 A124 E240 D241L116-T120 WeakPolarHBondContact CB-OG1 3.33Å; P117-T120 HydrophobicContact CB-CG2 4.24Å; P117-T120 WeakPolarHBondContact O-CG2 3.39Å; P117-T120 PolarHBondContact O-N 3.03Å; P117-T120 PolarHBondContact O-OG1 2.93Å; T120-K123 PolarHBondContact O-N 2.95Å; T120-K123 WeakPolarHBondContact OG1-CB 3.31Å; T120-K123 PolarHBondContact OG1-N 2.61Å; T120-A124 WeakPolarHBondContact O-CB 3.5Å; T120-A124 PolarHBondContact O-N 2.9Å; T120-E240 VanDerWaalsContact CG2-O 3.3Å; T120-E240 WeakPolarHBondContact CG2-O 3.45Å; T120-D241 CarbonylContact C-O 3.59Å; T120-D241 WeakPolarHBondContact CA-O 3.2Å
121F98.6Very high98.3Very high0 Ų061 Ų610%031%0.305CS..Hα-helixtrans-60.9-44.2176.9172.2-115.5000112K123 A124 Y125 L163 T166 L167 F235 W239 D241 L243 F246F121-K123 PolarHBondContact O-N 3.33Å; F121-A124 WeakPolarHBondContact O-CB 3.41Å; F121-A124 PolarHBondContact O-N 3.43Å; F121-A124 VanDerWaalsContact O-N 3.15Å; F121-Y125 PolarHBondContact O-N 2.6Å; F121-L163 HydrophobicContact CE1-CD2 3.89Å; F121-L163 HydrophobicContact CE2-CD2 4.43Å; F121-L163 HydrophobicContact CZ-CB 4.03Å; F121-L163 HydrophobicContact CZ-CD2 3.49Å; F121-L163 VanDerWaalsContact CZ-CD2 3.49Å; F121-L163 HydrophobicContact CZ-CG 4.27Å; F121-T166 HydrophobicContact CD2-CG2 4.14Å; F121-T166 HydrophobicContact CE2-CG2 3.96Å; F121-L167 HydrophobicContact CE2-CB 4.29Å; F121-F235 HydrophobicContact CE1-CB 4.45Å; F121-F235 AromaticContact CE1-CD1 3.74Å; F121-F235 HydrophobicContact CE1-CD1 3.74Å; F121-F235 AromaticContact CZ-CD1 3.59Å; F121-F235 HydrophobicContact CZ-CD1 3.59Å; F121-F235 HydrophobicContact CZ-CE1 4.01Å; F121-W239 AromaticContact CD1-CE3 3.84Å; F121-W239 HydrophobicContact CD1-CE3 3.84Å; F121-W239 HydrophobicContact CD1-CZ3 4.06Å; F121-W239 AromaticContact CE1-CE3 3.85Å; F121-W239 HydrophobicContact CE1-CE3 3.85Å; F121-W239 AromaticContact CE1-CZ3 3.6Å; F121-W239 HydrophobicContact CE1-CZ3 3.6Å; F121-W239 HydrophobicContact CZ-CZ3 4.43Å; F121-D241 PolarHBondContact N-O 2.83Å; F121-L243 HydrophobicContact CB-CD1 4.41Å; F121-L243 HydrophobicContact CD2-CD1 3.82Å; F121-F246 HydrophobicContact CB-CD1 4.06Å; F121-F246 HydrophobicContact CD1-CD1 4.19Å; F121-F246 AromaticContact CD1-CE1 3.87Å; F121-F246 HydrophobicContact CD1-CE1 3.87Å; F121-F246 AromaticContact CD2-CD1 3.96Å; F121-F246 HydrophobicContact CD2-CD1 3.96Å; F121-F246 HydrophobicContact CD2-CE1 4.04Å; F121-F246 AromaticContact CE1-CE1 3.96Å; F121-F246 HydrophobicContact CE1-CE1 3.96Å; F121-F246 HydrophobicContact CE2-CD1 4.45Å; F121-F246 HydrophobicContact CE2-CE1 4.13Å; F121-F246 AromaticContact CG-CD1 3.8Å; F121-F246 HydrophobicContact CG-CD1 3.8Å; F121-F246 AromaticContact CG-CE1 3.91Å; F121-F246 HydrophobicContact CG-CE1 3.91Å; F121-F246 HydrophobicContact CZ-CE1 4.07Å
122G98.6Very high98.2Very high0 Ų059.5 Ų59.50%029%0.293CS..Hα-helixtrans-61.2-43.7178.300000113.1A124 Y125 A126 W239G122-A124 VanDerWaalsContact C-N 3.32Å; G122-A124 PolarHBondContact O-N 3.3Å; G122-Y125 PolarHBondContact O-N 3.47Å; G122-A126 PolarHBondContact O-N 3.07Å; G122-W239 WeakPolarHBondContact CA-O 3.49Å; G122-W239 PolarHBondContact N-O 3.02Å
123K98.7Very high98.1Very high75 Ų7559.9 Ų59.933%0.32631%0.306SS..Hα-helixtrans-63.6-38.7174.4-174.668.6170.7-137.80111.9L113 R114 L116 T120 F121 K127L113-K123 WeakPolarHBondContact O-CA 3.17Å; R114-K123 WeakPolarHBondContact O-CD 3.37Å; R114-K123 WeakPolarHBondContact O-CE 3.39Å; R114-K123 PolarHBondContact O-NZ 3.36Å; L116-K123 HydrophobicContact CB-CB 4.15Å; L116-K123 WeakPolarHBondContact O-CD 3.36Å; T120-K123 PolarHBondContact O-N 2.95Å; T120-K123 WeakPolarHBondContact OG1-CB 3.31Å; T120-K123 PolarHBondContact OG1-N 2.61Å; F121-K123 PolarHBondContact O-N 3.33Å; K123-K127 VanDerWaalsContact O-CB 3.31Å; K123-K127 WeakPolarHBondContact O-CB 3.06Å; K123-K127 PolarHBondContact O-N 2.68Å
124A98.5Very high98Very high29 Ų2963.5 Ų63.524%0.2432%0.32CS..Hα-helixtrans-65.9-40.9177.400000111.8T120 F121 G122 K127 F128 T166 L243T120-A124 WeakPolarHBondContact O-CB 3.5Å; T120-A124 PolarHBondContact O-N 2.9Å; F121-A124 WeakPolarHBondContact O-CB 3.41Å; F121-A124 PolarHBondContact O-N 3.43Å; F121-A124 VanDerWaalsContact O-N 3.15Å; G122-A124 VanDerWaalsContact C-N 3.32Å; G122-A124 PolarHBondContact O-N 3.3Å; A124-K127 PolarHBondContact O-N 2.96Å; A124-F128 PolarHBondContact O-N 3.27Å; A124-T166 HydrophobicContact CB-CG2 3.78Å; A124-L243 HydrophobicContact CB-CD2 3.91Å
125Y98.6Very high97.9Very high0 Ų061.3 Ų61.30%032%0.317CS..Hα-helixtrans-65.4-48.3176.3175.4-125000111.9L110 L113 F121 G122 K127 F128 L129 D162 L163 W239L110-Y125 HydrophobicContact CD2-CE1 4.29Å; L113-Y125 HydrophobicContact CD1-CD1 4Å; F121-Y125 PolarHBondContact O-N 2.6Å; G122-Y125 PolarHBondContact O-N 3.47Å; Y125-K127 VanDerWaalsContact C-N 3.28Å; Y125-K127 PolarHBondContact O-N 3.07Å; Y125-F128 WeakPolarHBondContact O-CA 3.22Å; Y125-F128 WeakPolarHBondContact O-CB 3.38Å; Y125-F128 PolarHBondContact O-N 3.33Å; Y125-L129 HydrophobicContact CD1-CD1 4.37Å; Y125-L129 HydrophobicContact CD2-CG 4.31Å; Y125-L129 HydrophobicContact CE1-CD1 3.8Å; Y125-L129 HydrophobicContact CE2-CD1 4.03Å; Y125-L129 HydrophobicContact CE2-CD2 3.92Å; Y125-L129 HydrophobicContact CE2-CG 3.89Å; Y125-L129 PolarHBondContact O-N 3.49Å; Y125-D162 HydrophobicContact CE2-CB 3.85Å; Y125-L163 HydrophobicContact CD1-CD2 3.64Å; Y125-L163 HydrophobicContact CD2-CD2 3.43Å; Y125-L163 VanDerWaalsContact CD2-CD2 3.43Å; Y125-L163 HydrophobicContact CD2-CG 4.26Å; Y125-L163 HydrophobicContact CE1-CD2 3.82Å; Y125-L163 HydrophobicContact CE2-CD2 3.62Å; Y125-L163 HydrophobicContact CE2-CG 4.06Å; Y125-L163 HydrophobicContact CG-CD2 3.42Å; Y125-L163 VanDerWaalsContact CG-CD2 3.42Å; Y125-W239 HydrophobicContact CD1-CH2 4.01Å; Y125-W239 AromaticContact CD1-CZ3 3.72Å; Y125-W239 HydrophobicContact CD1-CZ3 3.72Å; Y125-W239 HydrophobicContact CE1-CH2 4.17Å; Y125-W239 HydrophobicContact CE1-CZ3 4.34Å; Y125-W239 HydrophobicContact CG-CZ3 4.3Å
126A98.5Very high97.8Very high1 Ų153.3 Ų53.31%0.00828%0.282CS..Hα-helixtrans-57.8-43.1175.600000111.6L113 R114 G122 F128 L129 D130L113-A126 HydrophobicContact CB-CB 4.06Å; R114-A126 HydrophobicContact CG-CB 3.75Å; G122-A126 PolarHBondContact O-N 3.07Å; A126-F128 VanDerWaalsContact C-N 3.31Å; A126-F128 PolarHBondContact O-N 3.48Å; A126-L129 PolarHBondContact O-N 3.08Å; A126-D130 WeakPolarHBondContact O-CB 3.28Å; A126-D130 PolarHBondContact O-N 3.29Å
127K98.3Very high97.6Very high149 Ų14955 Ų5565%0.64829%0.291SS*.Hα-helixtrans-63.2-35.6175-175.3-179.9178.8-176.60112.8K123 A124 Y125 K131K123-K127 VanDerWaalsContact O-CB 3.31Å; K123-K127 WeakPolarHBondContact O-CB 3.06Å; K123-K127 PolarHBondContact O-N 2.68Å; A124-K127 PolarHBondContact O-N 2.96Å; Y125-K127 VanDerWaalsContact C-N 3.28Å; Y125-K127 PolarHBondContact O-N 3.07Å; K127-K131 VanDerWaalsContact O-CB 3.22Å; K127-K131 WeakPolarHBondContact O-CB 3.31Å; K127-K131 PolarHBondContact O-N 2.87Å
128F98.2Very high97.4Very high19 Ų1956 Ų568%0.08329%0.288CS..Hα-helixtrans-63.3-49.4175.5173.7-85.7000110.7A124 Y125 A126 K131 Y132 Y134 D162 H165 T172A124-F128 PolarHBondContact O-N 3.27Å; Y125-F128 WeakPolarHBondContact O-CA 3.22Å; Y125-F128 WeakPolarHBondContact O-CB 3.38Å; Y125-F128 PolarHBondContact O-N 3.33Å; A126-F128 VanDerWaalsContact C-N 3.31Å; A126-F128 PolarHBondContact O-N 3.48Å; F128-K131 PolarHBondContact O-N 3.02Å; F128-Y132 HydrophobicContact CD1-CD2 4.35Å; F128-Y132 AromaticContact CD2-CD2 3.94Å; F128-Y132 HydrophobicContact CD2-CD2 3.94Å; F128-Y132 AromaticContact CD2-CE2 3.61Å; F128-Y132 HydrophobicContact CD2-CE2 3.61Å; F128-Y132 HydrophobicContact CE1-CD2 4.2Å; F128-Y132 AromaticContact CE2-CD2 3.77Å; F128-Y132 HydrophobicContact CE2-CD2 3.77Å; F128-Y132 AromaticContact CE2-CE2 3.42Å; F128-Y132 HydrophobicContact CE2-CE2 3.42Å; F128-Y132 VanDerWaalsContact CE2-CE2 3.42Å; F128-Y132 HydrophobicContact CG-CD2 4.22Å; F128-Y132 HydrophobicContact CG-CE2 4.32Å; F128-Y132 AromaticContact CZ-CD2 3.92Å; F128-Y132 HydrophobicContact CZ-CD2 3.92Å; F128-Y132 HydrophobicContact CZ-CE2 4.01Å; F128-Y132 VanDerWaalsContact O-CD2 3.25Å; F128-Y132 WeakPolarHBondContact O-CD2 3.35Å; F128-Y132 PolarHBondContact O-N 3.32Å; F128-Y134 HydrophobicContact CE1-CD2 4.2Å; F128-D162 HydrophobicContact CD1-CB 4.29Å; F128-D162 HydrophobicContact CE1-CB 3.77Å; F128-H165 HydrophobicContact CD2-CB 4.32Å; F128-H165 HydrophobicContact CE1-CB 4.36Å; F128-H165 HydrophobicContact CE2-CB 3.47Å; F128-H165 VanDerWaalsContact CE2-CB 3.47Å; F128-H165 HydrophobicContact CZ-CB 3.49Å; F128-H165 VanDerWaalsContact CZ-CB 3.49Å; F128-H165 AromaticContact CZ-CG 3.87Å; F128-T172 HydrophobicContact CE1-CG2 4.44Å; F128-T172 HydrophobicContact CE2-CG2 3.94Å; F128-T172 HydrophobicContact CZ-CG2 3.43Å; F128-T172 VanDerWaalsContact CZ-CG2 3.43Å
129L98.2Very high97.2Very high2 Ų249 Ų491%0.0126%0.256CS..Hα-helixtrans-58.9-49.4176.5-64.8178.2000111.5L110 Y125 A126 K131 Y132 G133 Y134L110-L129 HydrophobicContact CD1-CD1 4.11Å; L110-L129 HydrophobicContact CD2-CD1 4.03Å; Y125-L129 HydrophobicContact CD1-CD1 4.37Å; Y125-L129 HydrophobicContact CD2-CG 4.31Å; Y125-L129 HydrophobicContact CE1-CD1 3.8Å; Y125-L129 HydrophobicContact CE2-CD1 4.03Å; Y125-L129 HydrophobicContact CE2-CD2 3.92Å; Y125-L129 HydrophobicContact CE2-CG 3.89Å; Y125-L129 PolarHBondContact O-N 3.49Å; A126-L129 PolarHBondContact O-N 3.08Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-K131 PolarHBondContact O-N 2.84Å; L129-Y132 PolarHBondContact O-N 2.83Å; L129-G133 WeakPolarHBondContact O-CA 3.24Å; L129-G133 PolarHBondContact O-N 3.15Å; L129-Y134 PolarHBondContact O-N 3.46Å; L129-Y134 VanDerWaalsContact O-N 3.11Å
130D98.1Very high97Very high85 Ų8551.7 Ų51.746%0.45526%0.259SS..Hα-helixtrans-61.1-38.2-179.9-67.1-18.6000112R114 A126 Y132R114-D130 IonicContact CZ-OD1 2.64Å; R114-D130 IonicContact NE-OD1 3.53Å; R114-D130 PolarHBondContact NE-OD1 3.29Å; R114-D130 VanDerWaalsContact NE-OD1 3.14Å; R114-D130 IonicContact NE-OD2 3.53Å; R114-D130 PolarHBondContact NE-OD2 2.95Å; R114-D130 VanDerWaalsContact NE-OD2 3.13Å; R114-D130 IonicContact NH2-OD1 3.27Å; R114-D130 PolarHBondContact NH2-OD1 3.01Å; A126-D130 WeakPolarHBondContact O-CB 3.28Å; A126-D130 PolarHBondContact O-N 3.29Å; D130-Y132 PolarHBondContact O-N 3.44Å
131K97.3Very high96.8Very high144 Ų14457.5 Ų57.563%0.62628%0.281SS*.Hα-helixtrans-64.3-39.7179.7177.5-177.4176.1-164.80112.5K127 F128 L129K127-K131 VanDerWaalsContact O-CB 3.22Å; K127-K131 WeakPolarHBondContact O-CB 3.31Å; K127-K131 PolarHBondContact O-N 2.87Å; F128-K131 PolarHBondContact O-N 3.02Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-K131 PolarHBondContact O-N 2.84Å
132Y95.7Very high96.8Very high60 Ų6057.8 Ų57.824%0.23528%0.282CS..Hα-helixtrans-100.1-5.1-175.9-62.2-65.2000113.4F128 L129 D130 Y134 P171 T172F128-Y132 HydrophobicContact CD1-CD2 4.35Å; F128-Y132 AromaticContact CD2-CD2 3.94Å; F128-Y132 HydrophobicContact CD2-CD2 3.94Å; F128-Y132 AromaticContact CD2-CE2 3.61Å; F128-Y132 HydrophobicContact CD2-CE2 3.61Å; F128-Y132 HydrophobicContact CE1-CD2 4.2Å; F128-Y132 AromaticContact CE2-CD2 3.77Å; F128-Y132 HydrophobicContact CE2-CD2 3.77Å; F128-Y132 AromaticContact CE2-CE2 3.42Å; F128-Y132 HydrophobicContact CE2-CE2 3.42Å; F128-Y132 VanDerWaalsContact CE2-CE2 3.42Å; F128-Y132 HydrophobicContact CG-CD2 4.22Å; F128-Y132 HydrophobicContact CG-CE2 4.32Å; F128-Y132 AromaticContact CZ-CD2 3.92Å; F128-Y132 HydrophobicContact CZ-CD2 3.92Å; F128-Y132 HydrophobicContact CZ-CE2 4.01Å; F128-Y132 VanDerWaalsContact O-CD2 3.25Å; F128-Y132 WeakPolarHBondContact O-CD2 3.35Å; F128-Y132 PolarHBondContact O-N 3.32Å; L129-Y132 PolarHBondContact O-N 2.83Å; D130-Y132 PolarHBondContact O-N 3.44Å; Y132-Y134 VanDerWaalsContact C-N 3.3Å; Y132-Y134 HydrophobicContact CD2-CE2 4.46Å; Y132-Y134 HydrophobicContact CG-CD2 4.48Å; Y132-Y134 HydrophobicContact CG-CE2 4.13Å; Y132-Y134 WeakPolarHBondContact O-CD1 3.49Å; Y132-P171 WeakPolarHBondContact OH-CA 3.48Å; Y132-P171 WeakPolarHBondContact OH-CB 3.37Å; Y132-T172 VanDerWaalsContact CD1-OG1 3.23Å; Y132-T172 WeakPolarHBondContact CD1-OG1 3.42Å; Y132-T172 HydrophobicContact CD2-CG2 4.19Å; Y132-T172 WeakPolarHBondContact CE1-OG1 3.39Å; Y132-T172 HydrophobicContact CE2-CG2 4.18Å
133G96.3Very high96.7Very high63 Ų6364 Ų6465%0.64931%0.306SS*.THydrogen-bonded Turntrans68.130.9-177.700000112.8L129L129-G133 WeakPolarHBondContact O-CA 3.24Å; L129-G133 PolarHBondContact O-N 3.15Å
134Y95Very high96.6Very high86 Ų8661.8 Ų61.834%0.33730%0.296SS..  trans-92.7153-178.2-64-20.5000111.9F128 L129 Y132 E138 T172F128-Y134 HydrophobicContact CE1-CD2 4.2Å; L129-Y134 PolarHBondContact O-N 3.46Å; L129-Y134 VanDerWaalsContact O-N 3.11Å; Y132-Y134 VanDerWaalsContact C-N 3.3Å; Y132-Y134 HydrophobicContact CD2-CE2 4.46Å; Y132-Y134 HydrophobicContact CG-CD2 4.48Å; Y132-Y134 HydrophobicContact CG-CE2 4.13Å; Y132-Y134 WeakPolarHBondContact O-CD1 3.49Å; Y134-E138 WeakPolarHBondContact CA-OE2 3.43Å; Y134-T172 HydrophobicContact CE2-CG2 3.74Å
135S96.5Very high96.6Very high35 Ų3560.6 Ų60.625%0.24529%0.286CS..  trans-120.7138168176.20000110.2D137 E138S135-D137 PolarHBondContact O-N 3.06Å; S135-D137 PolarHBondContact OG-N 3.39Å; S135-E138 PolarHBondContact N-OE2 3.36Å; S135-E138 WeakPolarHBondContact O-CB 3.15Å; S135-E138 WeakPolarHBondContact O-CG 3.37Å; S135-E138 PolarHBondContact O-N 3.44Å
136P96.2Very high96.4Very high2 Ų263 Ų631%0.01330%0.299CS..G310 helixtrans-56.7-23172.324.1-33.8000112.7I103 T105 L110 E138 R139I103-P136 HydrophobicContact CG2-CB 4.33Å; I103-P136 WeakPolarHBondContact O-CB 3.39Å; T105-P136 HydrophobicContact CG2-CG 4.14Å; L110-P136 HydrophobicContact CD1-CG 4.29Å; P136-E138 PolarHBondContact O-N 2.85Å; P136-R139 WeakPolarHBondContact O-CG 3.48Å; P136-R139 PolarHBondContact O-N 3.05Å
137D96.2Very high96.4Very high61 Ų6165.7 Ų65.733%0.32631%0.313SS..G310 helixtrans-69.2-18.1179.1-60-21000113.6R104 T105 S135 R139R104-D137 WeakPolarHBondContact CA-OD1 3.47Å; R104-D137 VanDerWaalsContact CB-OD1 3.27Å; R104-D137 WeakPolarHBondContact CB-OD1 3.23Å; R104-D137 IonicContact NE-OD1 2.85Å; R104-D137 PolarHBondContact NH2-O 3.45Å; T105-D137 WeakPolarHBondContact CB-OD2 3.45Å; T105-D137 WeakPolarHBondContact CG2-OD2 3.48Å; T105-D137 PolarHBondContact N-OD1 3.29Å; T105-D137 PolarHBondContact OG1-OD1 3.31Å; T105-D137 PolarHBondContact OG1-OD2 3.09Å; S135-D137 PolarHBondContact O-N 3.06Å; S135-D137 PolarHBondContact OG-N 3.39Å; D137-R139 PolarHBondContact O-N 2.8Å
138E93.8Very high96.3Very high112 Ų11260.7 Ų60.752%0.52330%0.296SS..G310 helixtrans-68.5-12.7177.9-63.7177.213300112.4Y134 S135 P136 H140Y134-E138 WeakPolarHBondContact CA-OE2 3.43Å; S135-E138 PolarHBondContact N-OE2 3.36Å; S135-E138 WeakPolarHBondContact O-CB 3.15Å; S135-E138 WeakPolarHBondContact O-CG 3.37Å; S135-E138 PolarHBondContact O-N 3.44Å; P136-E138 PolarHBondContact O-N 2.85Å; E138-H140 PolarHBondContact O-CD2 3.2Å; E138-H140 PolarHBondContact O-N 3.2Å; E138-H140 VanDerWaalsContact O-N 3.11Å
139R94Very high96.3Very high61 Ų6160.6 Ų60.623%0.2330%0.297CS..SBendtrans-71.6106176.8-58.6-62.5169.6-168-11110.4R104 P136 D137 Y141 R158 E159 H161 D162R104-R139 PolarHBondContact NH2-O 2.87Å; P136-R139 WeakPolarHBondContact O-CG 3.48Å; P136-R139 PolarHBondContact O-N 3.05Å; D137-R139 PolarHBondContact O-N 2.8Å; R139-Y141 PolarHBondContact O-N 2.84Å; R139-R158 HydrophobicContact CB-CB 4.37Å; R139-R158 WeakPolarHBondContact CD-O 3.35Å; R139-E159 HydrophobicContact CB-CG 4.23Å; R139-H161 PolarHBondContact NH2-CD2 2.96Å; R139-D162 IonicContact CZ-OD1 3.64Å; R139-D162 IonicContact CZ-OD2 3.93Å; R139-D162 IonicContact NE-OD2 3.96Å; R139-D162 PolarHBondContact NE-OD2 3.25Å; R139-D162 IonicContact NH2-OD1 2.71Å; R139-D162 PolarHBondContact NH2-OD1 3.41Å; R139-D162 IonicContact NH2-OD2 2.72Å; R139-D162 PolarHBondContact NH2-OD2 2.93Å
140H92.2Very high96.3Very high89 Ų8960.7 Ų60.741%0.41230%0.297SS..PPolyproline II helixtrans-55.6135.5-178.6-61167000112.5E138 R158E138-H140 PolarHBondContact O-CD2 3.2Å; E138-H140 PolarHBondContact O-N 3.2Å; E138-H140 VanDerWaalsContact O-N 3.11Å; H140-R158 WeakPolarHBondContact O-CD 3.42Å; H140-R158 PolarHBondContact O-NH1 3.41Å
141Y95.5Very high96.3Very high134 Ų13457.2 Ų57.253%0.52528%0.279SS..PPolyproline II helixtrans-60151.2166.9-70.7-72.3000111.3R104 R139 L155 R158R104-Y141 WeakPolarHBondContact CD-OH 3.36Å; R104-Y141 PolarHBondContact NE-OH 3.44Å; R139-Y141 PolarHBondContact O-N 2.84Å; Y141-L155 HydrophobicContact CD1-CD1 4.19Å; Y141-L155 HydrophobicContact CD1-CD2 4.13Å; Y141-L155 HydrophobicContact CE1-CD2 4.25Å; Y141-R158 PolarHBondContact O-NH1 3.25Å
142V97.6Very high96.4Very high6 Ų651 Ų514%0.03625%0.252CS..PPolyproline II helixtrans-79.3140.4179176.70000109.1Y36 E73 V145 M154 L155Y36-V142 WeakPolarHBondContact CE2-O 3.2Å; E73-V142 HydrophobicContact CG-CG1 4Å; V142-V145 HydrophobicContact CG1-CB 3.68Å; V142-V145 HydrophobicContact CG1-CG2 3.56Å; V142-M154 HydrophobicContact CG2-CB 3.81Å; V142-M154 HydrophobicContact CG2-CG 3.7Å; V142-L155 HydrophobicContact CG2-CB 4.1Å
143R96.7Very high96.5Very high132 Ų13248.2 Ų48.250%0.49824%0.241SC..  trans-131.2-31.1-175.3-52.5-177.288.3176.77113.2H39 I40 E73H39-R143 PolarHBondContact CD2-O 3.22Å; H39-R143 VanDerWaalsContact CD2-O 3.26Å; I40-R143 HydrophobicContact CD1-CB 4.21Å; I40-R143 HydrophobicContact CG1-CB 4.32Å; I40-R143 PolarHBondContact N-O 2.94Å; E73-R143 PolarHBondContact OE2-N 3.06Å
144F97.4Very high96.6Very high27 Ų2745.2 Ų45.212%0.11821%0.21CC..SBendtrans-109.66.5-169.7-55.2-67.3000114.5I40 T42 K47 L50 T70 E73 T74I40-F144 HydrophobicContact CB-CD1 3.99Å; I40-F144 HydrophobicContact CB-CE1 3.87Å; I40-F144 HydrophobicContact CD1-CE1 3.91Å; I40-F144 HydrophobicContact CD1-CZ 4.18Å; I40-F144 HydrophobicContact CG1-CE1 4.47Å; I40-F144 HydrophobicContact CG2-CD1 4.23Å; I40-F144 HydrophobicContact CG2-CE1 3.88Å; T42-F144 HydrophobicContact CG2-CD1 3.85Å; T42-F144 HydrophobicContact CG2-CE1 4.35Å; K47-F144 PolarHBondContact NZ-O 3.34Å; L50-F144 HydrophobicContact CD1-CD1 4.08Å; L50-F144 HydrophobicContact CD1-CE1 3.96Å; L50-F144 HydrophobicContact CD1-CZ 4.34Å; T70-F144 HydrophobicContact CG2-CD2 4.24Å; T70-F144 HydrophobicContact CG2-CE2 4.05Å; E73-F144 HydrophobicContact CB-CB 4.06Å; E73-F144 WeakPolarHBondContact OE2-CD2 3.3Å; E73-F144 PolarHBondContact OE2-N 3.48Å; T74-F144 HydrophobicContact CG2-CB 3.7Å; T74-F144 HydrophobicContact CG2-CD2 4.3Å; T74-F144 HydrophobicContact CG2-CG 4.1Å
145V97.8Very high96.7Very high5 Ų541.9 Ų41.93%0.0320%0.198CC..  trans-93.3119.2171.6-179.90000108.5Y36 E73 L80 V142 L150Y36-V145 WeakPolarHBondContact CE1-O 3.43Å; Y36-V145 VanDerWaalsContact CZ-O 3.3Å; Y36-V145 PolarHBondContact OH-O 3.03Å; E73-V145 HydrophobicContact CB-CG2 3.92Å; E73-V145 HydrophobicContact CG-CG2 4.1Å; L80-V145 HydrophobicContact CD1-CG1 4.15Å; L80-V145 HydrophobicContact CD1-CG2 3.91Å; V142-V145 HydrophobicContact CG1-CB 3.68Å; V142-V145 HydrophobicContact CG1-CG2 3.56Å; V145-L150 HydrophobicContact CG1-CB 3.67Å
146D96Very high96.8Very high49 Ų4940.3 Ų40.326%0.26219%0.187SC..  trans-76.1-36.3-170.3-58-52.8000113.4N35 H39 K47 P148N35-D146 WeakPolarHBondContact CB-O 3.26Å; N35-D146 PolarHBondContact ND2-O 3.11Å; H39-D146 IonicContact CE1-OD1 2.63Å; H39-D146 PolarHBondContact CE1-OD1 2.99Å; H39-D146 IonicContact NE2-OD1 3.15Å; H39-D146 PolarHBondContact NE2-OD1 3.28Å; K47-D146 IonicContact NZ-OD2 3.46Å; K47-D146 PolarHBondContact NZ-OD2 3.03Å; D146-P148 WeakPolarHBondContact O-CD 3.39Å
147D96.7Very high96.9Very high58 Ų5840.5 Ų40.531%0.3119%0.187SC..SBendtrans-78.6123.9-179.9-177.9-66.9000110.9D149 L150 S151D147-D149 VanDerWaalsContact C-N 3.32Å; D147-D149 PolarHBondContact O-N 3.04Å; D147-D149 WeakPolarHBondContact OD1-CA 3.46Å; D147-D149 WeakPolarHBondContact OD1-CB 3.43Å; D147-D149 PolarHBondContact OD1-N 3.13Å; D147-L150 HydrophobicContact CB-CB 4.01Å; D147-L150 HydrophobicContact CB-CD1 3.93Å; D147-L150 HydrophobicContact CB-CG 3.8Å; D147-L150 PolarHBondContact O-N 3.04Å; D147-L150 PolarHBondContact OD1-N 3.46Å; D147-S151 WeakPolarHBondContact O-CB 3.44Å; D147-S151 PolarHBondContact O-N 3.35Å
148P97Very high97Very high45 Ų4538.2 Ų38.229%0.29217%0.174SC..Hα-helixtrans-61.9-32.1-178.3-23.933000114.8N35 Y36 D146 Y152N35-P148 HydrophobicContact CB-CG 4.18Å; N35-P148 WeakPolarHBondContact O-CG 3.49Å; Y36-P148 HydrophobicContact CD1-CB 4.08Å; Y36-P148 HydrophobicContact CD1-CG 4.13Å; D146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-Y152 PolarHBondContact O-N 2.9Å; P148-Y152 VanDerWaalsContact O-N 3.1Å
149D97.9Very high97.2Very high17 Ų1733 Ų339%0.09115%0.15CC..Hα-helixtrans-72.1-42.3176.6-72.6-64.8000110.6Y14 F84 R100 D147 S151 Y152 V153Y14-D149 PolarHBondContact OH-OD1 2.76Å; Y14-D149 PolarHBondContact OH-OD2 2.88Å; Y14-D149 VanDerWaalsContact OH-OD2 3.11Å; F84-D149 HydrophobicContact CD2-CB 4.22Å; F84-D149 HydrophobicContact CE2-CB 3.67Å; F84-D149 HydrophobicContact CZ-CB 4.13Å; R100-D149 IonicContact CZ-OD1 3.75Å; R100-D149 IonicContact NH2-OD1 2.67Å; R100-D149 PolarHBondContact NH2-OD1 3.14Å; R100-D149 IonicContact NH2-OD2 4Å; D147-D149 VanDerWaalsContact C-N 3.32Å; D147-D149 PolarHBondContact O-N 3.04Å; D147-D149 WeakPolarHBondContact OD1-CA 3.46Å; D147-D149 WeakPolarHBondContact OD1-CB 3.43Å; D147-D149 PolarHBondContact OD1-N 3.13Å; D149-S151 VanDerWaalsContact C-N 3.32Å; D149-Y152 PolarHBondContact O-N 2.97Å; D149-V153 WeakPolarHBondContact O-CG2 3.43Å; D149-V153 PolarHBondContact O-N 3.27Å
150L98.4Very high97.4Very high4 Ų430.2 Ų30.22%0.02114%0.14CC..Hα-helixtrans-67.8-34.2174.9-57.4-172.8000112.2E77 L80 R81 F84 V145 D147 V153 M154E77-L150 HydrophobicContact CG-CD1 4.33Å; L80-L150 HydrophobicContact CB-CB 4.25Å; L80-L150 HydrophobicContact CB-CD1 4.46Å; L80-L150 HydrophobicContact CB-CD2 4.25Å; L80-L150 HydrophobicContact CD1-CB 4.48Å; R81-L150 HydrophobicContact CG-CD1 3.6Å; R81-L150 HydrophobicContact CG-CD2 4.24Å; F84-L150 HydrophobicContact CB-CD2 3.7Å; F84-L150 HydrophobicContact CD1-CD2 4.44Å; F84-L150 HydrophobicContact CG-CD2 3.99Å; V145-L150 HydrophobicContact CG1-CB 3.67Å; D147-L150 HydrophobicContact CB-CB 4.01Å; D147-L150 HydrophobicContact CB-CD1 3.93Å; D147-L150 HydrophobicContact CB-CG 3.8Å; D147-L150 PolarHBondContact O-N 3.04Å; D147-L150 PolarHBondContact OD1-N 3.46Å; L150-V153 PolarHBondContact O-N 2.97Å; L150-M154 PolarHBondContact O-N 2.91Å
151S98.2Very high97.6Very high12 Ų1226.6 Ų26.68%0.08412%0.123CC..Hα-helixtrans-58.8-47.6171.9169.40000110.8Y36 D147 D149 V153 M154 L155Y36-S151 WeakPolarHBondContact CE2-OG 3.29Å; Y36-S151 PolarHBondContact OH-OG 3.39Å; D147-S151 WeakPolarHBondContact O-CB 3.44Å; D147-S151 PolarHBondContact O-N 3.35Å; D149-S151 VanDerWaalsContact C-N 3.32Å; S151-V153 PolarHBondContact O-N 3.24Å; S151-M154 PolarHBondContact O-N 3.29Å; S151-L155 PolarHBondContact O-N 3.17Å
152Y98.4Very high97.8Very high14 Ų1420.3 Ų20.36%0.05510%0.098CC..Hα-helixtrans-62-42174.5172.8-104000112.5I96 L97 R100 L101 P148 D149 M154 L155 R156I96-Y152 HydrophobicContact CG2-CE1 4.19Å; I96-Y152 WeakPolarHBondContact CG2-OH 3.39Å; I96-Y152 WeakPolarHBondContact O-CE1 3.31Å; I96-Y152 PolarHBondContact O-OH 3.33Å; L97-Y152 HydrophobicContact CD2-CD1 4.11Å; L97-Y152 HydrophobicContact CD2-CE1 4.24Å; R100-Y152 VanDerWaalsContact CA-CE2 3.48Å; R100-Y152 VanDerWaalsContact CA-CZ 3.41Å; R100-Y152 VanDerWaalsContact CA-OH 3.32Å; R100-Y152 WeakPolarHBondContact CA-OH 3.46Å; R100-Y152 HydrophobicContact CB-CD2 4.07Å; R100-Y152 HydrophobicContact CB-CE2 3.8Å; R100-Y152 HydrophobicContact CG-CD1 4.15Å; R100-Y152 HydrophobicContact CG-CD2 4.13Å; R100-Y152 HydrophobicContact CG-CE1 4.18Å; R100-Y152 HydrophobicContact CG-CE2 4.18Å; R100-Y152 HydrophobicContact CG-CG 4.13Å; L101-Y152 PolarHBondContact N-OH 2.85Å; L101-Y152 PolarHBondContact O-OH 3.27Å; P148-Y152 PolarHBondContact O-N 2.9Å; P148-Y152 VanDerWaalsContact O-N 3.1Å; D149-Y152 PolarHBondContact O-N 2.97Å; Y152-M154 VanDerWaalsContact C-N 3.3Å; Y152-M154 PolarHBondContact O-N 3.48Å; Y152-L155 PolarHBondContact O-N 2.96Å; Y152-R156 WeakPolarHBondContact O-CB 3.35Å; Y152-R156 PolarHBondContact O-N 3.28Å
153V98.6Very high97.8Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-59.8-41.4176.11700000111.6L80 I83 F84 M87 L97 D149 L150 S151 R156 Y157 M231L80-V153 HydrophobicContact CD2-CB 4.46Å; L80-V153 HydrophobicContact CD2-CG1 3.92Å; I83-V153 HydrophobicContact CB-CG1 3.92Å; I83-V153 HydrophobicContact CG2-CG1 3.39Å; F84-V153 HydrophobicContact CB-CG2 4.13Å; F84-V153 HydrophobicContact CD2-CG2 3.92Å; M87-V153 HydrophobicContact SD-CG1 4.4Å; M87-V153 HydrophobicContact SD-CG2 4.01Å; L97-V153 HydrophobicContact CD2-CG2 3.72Å; D149-V153 WeakPolarHBondContact O-CG2 3.43Å; D149-V153 PolarHBondContact O-N 3.27Å; L150-V153 PolarHBondContact O-N 2.97Å; S151-V153 PolarHBondContact O-N 3.24Å; V153-R156 PolarHBondContact O-N 3.36Å; V153-Y157 PolarHBondContact O-N 3.41Å; V153-M231 HydrophobicContact CG1-CE 4.21Å; V153-M231 WeakPolarHBondContact O-CE 3.41Å
154M98.5Very high97.9Very high0 Ų013.8 Ų13.80%07%0.073CC..Hα-helixtrans-67.1-40.6176.5-17661.3-176.300111.9E73 L80 V142 L150 S151 Y152 Y157 R158 L190 M192E73-M154 HydrophobicContact CG-CE 4.34Å; E73-M154 HydrophobicContact CG-CG 4.26Å; L80-M154 HydrophobicContact CD1-CB 4.06Å; L80-M154 HydrophobicContact CD2-CB 3.72Å; L80-M154 HydrophobicContact CD2-CG 4.41Å; L80-M154 HydrophobicContact CD2-SD 3.99Å; V142-M154 HydrophobicContact CG2-CB 3.81Å; V142-M154 HydrophobicContact CG2-CG 3.7Å; L150-M154 PolarHBondContact O-N 2.91Å; S151-M154 PolarHBondContact O-N 3.29Å; Y152-M154 VanDerWaalsContact C-N 3.3Å; Y152-M154 PolarHBondContact O-N 3.48Å; M154-Y157 HydrophobicContact CE-CD1 4.28Å; M154-Y157 PolarHBondContact O-N 3.24Å; M154-Y157 HydrophobicContact SD-CD1 4.04Å; M154-R158 WeakPolarHBondContact O-CG 3.27Å; M154-R158 PolarHBondContact O-N 3.15Å; M154-L190 HydrophobicContact SD-CD2 4.37Å; M154-M192 HydrophobicContact CE-SD 3.73Å
155L98.1Very high97.9Very high17 Ų1712.6 Ų12.69%0.0897%0.068CC..Hα-helixtrans-62.4-47.6174.5179.962.1000111T102 Y141 V142 S151 Y152 Y157 R158 E159T102-L155 HydrophobicContact CG2-CD2 4.19Å; Y141-L155 HydrophobicContact CD1-CD1 4.19Å; Y141-L155 HydrophobicContact CD1-CD2 4.13Å; Y141-L155 HydrophobicContact CE1-CD2 4.25Å; V142-L155 HydrophobicContact CG2-CB 4.1Å; S151-L155 PolarHBondContact O-N 3.17Å; Y152-L155 PolarHBondContact O-N 2.96Å; L155-Y157 VanDerWaalsContact C-N 3.28Å; L155-Y157 PolarHBondContact O-N 3.44Å; L155-R158 WeakPolarHBondContact O-CB 3.41Å; L155-R158 PolarHBondContact O-N 2.63Å; L155-E159 HydrophobicContact CD1-CG 4.11Å; L155-E159 HydrophobicContact CG-CG 4.36Å; L155-E159 PolarHBondContact O-N 2.87Å
156R98.2Very high97.9Very high1 Ų112.8 Ų12.80%0.0047%0.069CC..Hα-helixtrans-56.4-44.217717960.5177.8-179.4-4.4111.3I96 Y152 V153 R158 E159 I160 M231 V233 E236I96-R156 HydrophobicContact CG2-CG 4.39Å; Y152-R156 WeakPolarHBondContact O-CB 3.35Å; Y152-R156 PolarHBondContact O-N 3.28Å; V153-R156 PolarHBondContact O-N 3.36Å; R156-R158 VanDerWaalsContact C-N 3.31Å; R156-R158 PolarHBondContact O-N 2.84Å; R156-E159 PolarHBondContact O-N 2.94Å; R156-I160 HydrophobicContact CG-CG2 4.48Å; R156-I160 WeakPolarHBondContact O-CG1 3.32Å; R156-I160 WeakPolarHBondContact O-CG2 3.49Å; R156-I160 PolarHBondContact O-N 3.5Å; R156-M231 HydrophobicContact CB-CE 3.92Å; R156-M231 HydrophobicContact CG-CE 3.72Å; R156-V233 PolarHBondContact NH2-O 2.85Å; R156-E236 IonicContact CZ-OE1 3.77Å; R156-E236 IonicContact CZ-OE2 3.8Å; R156-E236 IonicContact NH1-OE1 2.7Å; R156-E236 PolarHBondContact NH1-OE1 3.4Å; R156-E236 IonicContact NH1-OE2 3.85Å; R156-E236 IonicContact NH2-OE1 3.71Å; R156-E236 PolarHBondContact NH2-OE1 3.23Å; R156-E236 IonicContact NH2-OE2 2.78Å; R156-E236 PolarHBondContact NH2-OE2 2.88Å
157Y98.4Very high98Very high7 Ų710.5 Ų10.53%0.0276%0.057CC..Hα-helixtrans-57.1-44.5176159.8-102000111.6V153 M154 L155 I160 H161 K181 E184 T188 L190 M192 C193 M231V153-Y157 PolarHBondContact O-N 3.41Å; M154-Y157 HydrophobicContact CE-CD1 4.28Å; M154-Y157 PolarHBondContact O-N 3.24Å; M154-Y157 HydrophobicContact SD-CD1 4.04Å; L155-Y157 VanDerWaalsContact C-N 3.28Å; L155-Y157 PolarHBondContact O-N 3.44Å; Y157-I160 WeakPolarHBondContact O-CG1 3.45Å; Y157-H161 PolarHBondContact O-N 2.99Å; Y157-K181 PolarHBondContact OH-NZ 2.58Å; Y157-E184 HydrophobicContact CE2-CB 4.22Å; Y157-E184 HydrophobicContact CE2-CG 4.08Å; Y157-E184 PolarHBondContact OH-OE2 2.84Å; Y157-T188 HydrophobicContact CD2-CG2 4.42Å; Y157-L190 HydrophobicContact CD1-CD1 3.64Å; Y157-L190 HydrophobicContact CD2-CD1 3.8Å; Y157-L190 HydrophobicContact CE1-CD1 3.83Å; Y157-L190 HydrophobicContact CE2-CD1 3.99Å; Y157-L190 HydrophobicContact CG-CD1 3.65Å; Y157-M192 HydrophobicContact CE1-CE 3.79Å; Y157-M192 HydrophobicContact CE1-SD 3.94Å; Y157-C193 PolarHBondContact OH-SG 2.98Å; Y157-M231 HydrophobicContact CD2-SD 4.49Å
158R97.5Very high98.1Very high12 Ų127.7 Ų7.75%0.0454%0.042CC..Hα-helixtrans-64.6-45.4177.9-68.8174.3173.5175.33.7112.3S69 E73 R139 H140 Y141 M154 L155 R156 I160 H161S69-R158 VanDerWaalsContact C-NH2 3.28Å; S69-R158 PolarHBondContact O-NH2 3.38Å; E73-R158 VanDerWaalsContact CD-NH2 3.33Å; E73-R158 IonicContact OE1-CZ 3.68Å; E73-R158 IonicContact OE1-NH1 2.88Å; E73-R158 PolarHBondContact OE1-NH1 3.04Å; E73-R158 IonicContact OE1-NH2 2.71Å; E73-R158 PolarHBondContact OE1-NH2 2.89Å; R139-R158 HydrophobicContact CB-CB 4.37Å; R139-R158 WeakPolarHBondContact CD-O 3.35Å; H140-R158 WeakPolarHBondContact O-CD 3.42Å; H140-R158 PolarHBondContact O-NH1 3.41Å; Y141-R158 PolarHBondContact O-NH1 3.25Å; M154-R158 WeakPolarHBondContact O-CG 3.27Å; M154-R158 PolarHBondContact O-N 3.15Å; L155-R158 WeakPolarHBondContact O-CB 3.41Å; L155-R158 PolarHBondContact O-N 2.63Å; R156-R158 VanDerWaalsContact C-N 3.31Å; R156-R158 PolarHBondContact O-N 2.84Å; R158-I160 VanDerWaalsContact C-N 3.34Å; R158-I160 PolarHBondContact O-N 3.06Å; R158-H161 VanDerWaalsContact O-CB 3.31Å; R158-H161 WeakPolarHBondContact O-CB 3.48Å; R158-H161 PolarHBondContact O-N 3.41Å
159E97.5Very high98Very high2 Ų27.3 Ų7.31%0.0095%0.046CC..Hα-helixtrans-70.8-29.3-174.1-74.9-173.9167.400112.8T102 I103 R104 R139 L155 R156T102-E159 WeakPolarHBondContact CA-OE2 3.39Å; T102-E159 WeakPolarHBondContact CB-OE2 3.48Å; I103-E159 HydrophobicContact CB-CB 4.19Å; I103-E159 PolarHBondContact N-OE2 3.31Å; R104-E159 IonicContact CZ-OE1 2.8Å; R104-E159 IonicContact NH1-OE1 3.34Å; R104-E159 PolarHBondContact NH1-OE1 2.97Å; R139-E159 HydrophobicContact CB-CG 4.23Å; L155-E159 HydrophobicContact CD1-CG 4.11Å; L155-E159 HydrophobicContact CG-CG 4.36Å; L155-E159 PolarHBondContact O-N 2.87Å; R156-E159 PolarHBondContact O-N 2.94Å
160I98.1Very high97.9Very high4 Ų46.9 Ų6.92%0.0214%0.044CC..Hα-helixtrans-83.1-8.617570.9169.4000113.8I103 R156 Y157 R158 D162 L163 V164 L230 M231 F235I103-I160 HydrophobicContact CD1-CG2 4.07Å; R156-I160 HydrophobicContact CG-CG2 4.48Å; R156-I160 WeakPolarHBondContact O-CG1 3.32Å; R156-I160 WeakPolarHBondContact O-CG2 3.49Å; R156-I160 PolarHBondContact O-N 3.5Å; Y157-I160 WeakPolarHBondContact O-CG1 3.45Å; R158-I160 VanDerWaalsContact C-N 3.34Å; R158-I160 PolarHBondContact O-N 3.06Å; I160-D162 PolarHBondContact O-N 3.04Å; I160-L163 HydrophobicContact CB-CD1 4.42Å; I160-L163 HydrophobicContact CG2-CD1 4.35Å; I160-L163 CarbonylContact O-C 3.25Å; I160-L163 WeakPolarHBondContact O-CA 3.34Å; I160-L163 VanDerWaalsContact O-CB 3.24Å; I160-L163 WeakPolarHBondContact O-CB 3.4Å; I160-L163 PolarHBondContact O-N 3.04Å; I160-V164 HydrophobicContact CD1-CG2 4.38Å; I160-V164 HydrophobicContact CG1-CG2 4.33Å; I160-V164 WeakPolarHBondContact O-CG2 3.47Å; I160-V164 PolarHBondContact O-N 3.39Å; I160-L230 HydrophobicContact CD1-CB 4.49Å; I160-M231 HydrophobicContact CD1-SD 3.57Å; I160-M231 VanDerWaalsContact CD1-SD 3.57Å; I160-M231 HydrophobicContact CG1-SD 4.39Å; I160-F235 HydrophobicContact CB-CD2 4.3Å; I160-F235 HydrophobicContact CB-CE2 4.03Å; I160-F235 HydrophobicContact CD1-CE2 4.04Å; I160-F235 HydrophobicContact CG2-CD2 3.8Å; I160-F235 HydrophobicContact CG2-CE2 3.96Å
161H97.9Very high97.8Very high12 Ų128.7 Ų8.76%0.0566%0.056CC..Hα-helixtrans-56.4-45.2-172.6171.970.8000113.3R139 Y157 R158 L163 V164 H165 E177 E184R139-H161 PolarHBondContact NH2-CD2 2.96Å; Y157-H161 PolarHBondContact O-N 2.99Å; R158-H161 VanDerWaalsContact O-CB 3.31Å; R158-H161 WeakPolarHBondContact O-CB 3.48Å; R158-H161 PolarHBondContact O-N 3.41Å; H161-L163 VanDerWaalsContact C-N 3.3Å; H161-L163 PolarHBondContact O-N 3.18Å; H161-V164 WeakPolarHBondContact O-CA 3.46Å; H161-V164 WeakPolarHBondContact O-CB 3.49Å; H161-V164 PolarHBondContact O-N 3.49Å; H161-V164 VanDerWaalsContact O-N 3.08Å; H161-H165 AromaticContact CE1-CD2 3.54Å; H161-H165 AromaticContact CE1-NE2 3.27Å; H161-H165 PolarHBondContact CE1-NE2 3.19Å; H161-H165 VanDerWaalsContact CE1-NE2 3.27Å; H161-H165 AromaticContact NE2-CD2 3.51Å; H161-H165 AromaticContact NE2-NE2 3.35Å; H161-H165 PolarHBondContact NE2-NE2 3.33Å; H161-H165 PolarHBondContact O-CD2 3.36Å; H161-H165 PolarHBondContact O-N 3.43Å; H161-E177 IonicContact CE1-OE2 3.32Å; H161-E177 IonicContact NE2-OE2 2.73Å; H161-E184 IonicContact CE1-OE1 3.7Å; H161-E184 IonicContact CG-OE1 3.74Å; H161-E184 IonicContact ND1-OE1 2.74Å; H161-E184 PolarHBondContact ND1-OE1 3.2Å; H161-E184 IonicContact ND1-OE2 2.63Å
162D97.9Very high97.6Very high2 Ų29.4 Ų9.41%0.0116%0.059CC..Hα-helixtrans-70-29.6177.2-66.3-41.6000112.8Y125 F128 R139 I160 V164 H165 T166Y125-D162 HydrophobicContact CE2-CB 3.85Å; F128-D162 HydrophobicContact CD1-CB 4.29Å; F128-D162 HydrophobicContact CE1-CB 3.77Å; R139-D162 IonicContact CZ-OD1 3.64Å; R139-D162 IonicContact CZ-OD2 3.93Å; R139-D162 IonicContact NE-OD2 3.96Å; R139-D162 PolarHBondContact NE-OD2 3.25Å; R139-D162 IonicContact NH2-OD1 2.71Å; R139-D162 PolarHBondContact NH2-OD1 3.41Å; R139-D162 IonicContact NH2-OD2 2.72Å; R139-D162 PolarHBondContact NH2-OD2 2.93Å; I160-D162 PolarHBondContact O-N 3.04Å; D162-V164 VanDerWaalsContact C-N 3.31Å; D162-H165 PolarHBondContact O-N 2.78Å; D162-T166 PolarHBondContact O-N 2.98Å; D162-T166 PolarHBondContact O-OG1 2.84Å
163L98.4Very high97.3Very high0 Ų011.1 Ų11.10%07%0.07CC..Hα-helixtrans-65.6-37.9169.5-65.3174.1000111I103 F121 Y125 I160 H161 T166 L167 F235 W239I103-L163 HydrophobicContact CD1-CD1 3.3Å; I103-L163 HydrophobicContact CD1-CG 4.49Å; F121-L163 HydrophobicContact CE1-CD2 3.89Å; F121-L163 HydrophobicContact CE2-CD2 4.43Å; F121-L163 HydrophobicContact CZ-CB 4.03Å; F121-L163 HydrophobicContact CZ-CD2 3.49Å; F121-L163 VanDerWaalsContact CZ-CD2 3.49Å; F121-L163 HydrophobicContact CZ-CG 4.27Å; Y125-L163 HydrophobicContact CD1-CD2 3.64Å; Y125-L163 HydrophobicContact CD2-CD2 3.43Å; Y125-L163 VanDerWaalsContact CD2-CD2 3.43Å; Y125-L163 HydrophobicContact CD2-CG 4.26Å; Y125-L163 HydrophobicContact CE1-CD2 3.82Å; Y125-L163 HydrophobicContact CE2-CD2 3.62Å; Y125-L163 HydrophobicContact CE2-CG 4.06Å; Y125-L163 HydrophobicContact CG-CD2 3.42Å; Y125-L163 VanDerWaalsContact CG-CD2 3.42Å; I160-L163 HydrophobicContact CB-CD1 4.42Å; I160-L163 HydrophobicContact CG2-CD1 4.35Å; I160-L163 CarbonylContact O-C 3.25Å; I160-L163 WeakPolarHBondContact O-CA 3.34Å; I160-L163 VanDerWaalsContact O-CB 3.24Å; I160-L163 WeakPolarHBondContact O-CB 3.4Å; I160-L163 PolarHBondContact O-N 3.04Å; H161-L163 VanDerWaalsContact C-N 3.3Å; H161-L163 PolarHBondContact O-N 3.18Å; L163-T166 WeakPolarHBondContact O-CB 3.4Å; L163-T166 PolarHBondContact O-N 2.73Å; L163-L167 VanDerWaalsContact O-CB 3.23Å; L163-L167 WeakPolarHBondContact O-CB 3.38Å; L163-L167 PolarHBondContact O-N 3.28Å; L163-F235 HydrophobicContact CB-CD1 4.29Å; L163-F235 HydrophobicContact CB-CE1 4.28Å; L163-F235 HydrophobicContact CD1-CB 3.7Å; L163-F235 HydrophobicContact CD1-CD1 4.1Å; L163-F235 HydrophobicContact CD1-CD2 4.11Å; L163-F235 HydrophobicContact CD1-CG 3.72Å; L163-W239 HydrophobicContact CD1-CH2 4.19Å; L163-W239 HydrophobicContact CD2-CH2 3.64Å; L163-W239 HydrophobicContact CD2-CZ3 3.54Å
164V98.5Very high97.1Very high2 Ų214.4 Ų14.41%0.0129%0.086CC..Hα-helixtrans-63.8-44174179.70000110.4I160 H161 D162 T166 L167 L168 V180 L230I160-V164 HydrophobicContact CD1-CG2 4.38Å; I160-V164 HydrophobicContact CG1-CG2 4.33Å; I160-V164 WeakPolarHBondContact O-CG2 3.47Å; I160-V164 PolarHBondContact O-N 3.39Å; H161-V164 WeakPolarHBondContact O-CA 3.46Å; H161-V164 WeakPolarHBondContact O-CB 3.49Å; H161-V164 PolarHBondContact O-N 3.49Å; H161-V164 VanDerWaalsContact O-N 3.08Å; D162-V164 VanDerWaalsContact C-N 3.31Å; V164-T166 VanDerWaalsContact C-N 3.31Å; V164-T166 PolarHBondContact O-N 3.03Å; V164-L167 PolarHBondContact O-N 3.41Å; V164-L168 HydrophobicContact CG1-CD1 3.55Å; V164-L168 HydrophobicContact CG1-CG 3.87Å; V164-L168 VanDerWaalsContact O-CB 3.31Å; V164-L168 WeakPolarHBondContact O-CB 3.45Å; V164-L168 VanDerWaalsContact O-CG 3.23Å; V164-L168 WeakPolarHBondContact O-CG 3.39Å; V164-L168 PolarHBondContact O-N 3.01Å; V164-V180 HydrophobicContact CG1-CG1 4Å; V164-L230 HydrophobicContact CG1-CD1 3.91Å; V164-L230 HydrophobicContact CG2-CD1 3.84Å
165H98.2Very high96.9Very high1 Ų114.7 Ų14.71%0.0059%0.087CC..Hα-helixtrans-55.2-46.9172.5-87.8-87.4000112.4F128 H161 D162 L168 G169 Q170 P171 E177F128-H165 HydrophobicContact CD2-CB 4.32Å; F128-H165 HydrophobicContact CE1-CB 4.36Å; F128-H165 HydrophobicContact CE2-CB 3.47Å; F128-H165 VanDerWaalsContact CE2-CB 3.47Å; F128-H165 HydrophobicContact CZ-CB 3.49Å; F128-H165 VanDerWaalsContact CZ-CB 3.49Å; F128-H165 AromaticContact CZ-CG 3.87Å; H161-H165 AromaticContact CE1-CD2 3.54Å; H161-H165 AromaticContact CE1-NE2 3.27Å; H161-H165 PolarHBondContact CE1-NE2 3.19Å; H161-H165 VanDerWaalsContact CE1-NE2 3.27Å; H161-H165 AromaticContact NE2-CD2 3.51Å; H161-H165 AromaticContact NE2-NE2 3.35Å; H161-H165 PolarHBondContact NE2-NE2 3.33Å; H161-H165 PolarHBondContact O-CD2 3.36Å; H161-H165 PolarHBondContact O-N 3.43Å; D162-H165 PolarHBondContact O-N 2.78Å; H165-L168 PolarHBondContact O-N 3.43Å; H165-G169 PolarHBondContact O-N 2.95Å; H165-Q170 PolarHBondContact ND1-O 3.37Å; H165-Q170 PolarHBondContact O-N 2.7Å; H165-P171 PolarHBondContact CE1-O 3.09Å; H165-P171 VanDerWaalsContact CE1-O 3.3Å; H165-P171 PolarHBondContact ND1-O 3.38Å; H165-E177 IonicContact CE1-OE1 2.7Å; H165-E177 PolarHBondContact CE1-OE1 3Å; H165-E177 IonicContact NE2-OE1 3.69Å; H165-E177 PolarHBondContact NE2-OE1 2.63Å; H165-E177 IonicContact NE2-OE2 3.03Å
166T97.8Very high96.8Very high10 Ų1013.9 Ų13.96%0.0618%0.083CC..Hα-helixtrans-61.4-49.2178.5-58.20000111.3F121 A124 D162 L163 V164 L168 G169 R247F121-T166 HydrophobicContact CD2-CG2 4.14Å; F121-T166 HydrophobicContact CE2-CG2 3.96Å; A124-T166 HydrophobicContact CB-CG2 3.78Å; D162-T166 PolarHBondContact O-N 2.98Å; D162-T166 PolarHBondContact O-OG1 2.84Å; L163-T166 WeakPolarHBondContact O-CB 3.4Å; L163-T166 PolarHBondContact O-N 2.73Å; V164-T166 VanDerWaalsContact C-N 3.31Å; V164-T166 PolarHBondContact O-N 3.03Å; T166-L168 PolarHBondContact O-N 2.94Å; T166-G169 PolarHBondContact O-N 3.2Å; T166-R247 PolarHBondContact O-NH2 3.28Å
167L97.9Very high96.7Very high0 Ų016.2 Ų16.20%09%0.094CC..Hα-helixtrans-64.6-39-178.9-176.565000111.8F121 L163 V164 G169 L230 F235 F246 R247 L250 I252F121-L167 HydrophobicContact CE2-CB 4.29Å; L163-L167 VanDerWaalsContact O-CB 3.23Å; L163-L167 WeakPolarHBondContact O-CB 3.38Å; L163-L167 PolarHBondContact O-N 3.28Å; V164-L167 PolarHBondContact O-N 3.41Å; L167-G169 VanDerWaalsContact C-N 3.31Å; L167-L230 HydrophobicContact CD2-CD2 3.8Å; L167-F235 HydrophobicContact CD2-CE1 4.04Å; L167-F235 HydrophobicContact CD2-CZ 4.33Å; L167-F246 HydrophobicContact CD1-CD1 3.71Å; L167-F246 HydrophobicContact CD1-CE1 3.89Å; L167-F246 HydrophobicContact CD1-CG 4.45Å; L167-R247 HydrophobicContact CD1-CG 3.9Å; L167-R247 PolarHBondContact O-NE 3.08Å; L167-R247 PolarHBondContact O-NH2 3.11Å; L167-L250 HydrophobicContact CD1-CD1 4.1Å; L167-L250 HydrophobicContact CD2-CD1 3.6Å; L167-L250 HydrophobicContact CG-CD1 4.45Å; L167-I252 HydrophobicContact CD1-CD1 4.19Å; L167-I252 HydrophobicContact CD2-CD1 3.37Å; L167-I252 HydrophobicContact CG-CD1 3.61Å
168L97.7Very high96.6Very high0 Ų016 Ų160%09%0.093CC..THydrogen-bonded Turntrans-86.4-0.7178.7-58.8-172.4000113.7V164 H165 T166 Q170 V180 V183 Y219 T223 I252 P255V164-L168 HydrophobicContact CG1-CD1 3.55Å; V164-L168 HydrophobicContact CG1-CG 3.87Å; V164-L168 VanDerWaalsContact O-CB 3.31Å; V164-L168 WeakPolarHBondContact O-CB 3.45Å; V164-L168 VanDerWaalsContact O-CG 3.23Å; V164-L168 WeakPolarHBondContact O-CG 3.39Å; V164-L168 PolarHBondContact O-N 3.01Å; H165-L168 PolarHBondContact O-N 3.43Å; T166-L168 PolarHBondContact O-N 2.94Å; L168-Q170 HydrophobicContact CB-CG 3.96Å; L168-Q170 PolarHBondContact O-N 3.22Å; L168-Q170 PolarHBondContact O-NE2 2.99Å; L168-Q170 VanDerWaalsContact O-NE2 3.13Å; L168-V180 HydrophobicContact CD1-CG2 4.26Å; L168-V183 HydrophobicContact CD1-CB 3.92Å; L168-V183 HydrophobicContact CD1-CG1 3.92Å; L168-V183 HydrophobicContact CD1-CG2 3.76Å; L168-Y219 HydrophobicContact CB-CE1 4.49Å; L168-Y219 PolarHBondContact O-OH 2.87Å; L168-T223 HydrophobicContact CD2-CG2 3.72Å; L168-I252 HydrophobicContact CD2-CD1 4.18Å; L168-I252 HydrophobicContact CD2-CG2 3.88Å; L168-P255 WeakPolarHBondContact O-CB 3.38Å
169G96Very high96.6Very high37 Ų3715.4 Ų15.438%0.3819%0.091SC..THydrogen-bonded Turntrans59.827.9-17800000113.7H165 T166 L167H165-G169 PolarHBondContact O-N 2.95Å; T166-G169 PolarHBondContact O-N 3.2Å; L167-G169 VanDerWaalsContact C-N 3.31Å
170Q96.1Very high96.6Very high7 Ų715.3 Ų15.33%0.0339%0.091CC..  trans-98.7131.4-176.8-64.3-53.2-58.100111.4H165 L168 V179 V180H165-Q170 PolarHBondContact ND1-O 3.37Å; H165-Q170 PolarHBondContact O-N 2.7Å; L168-Q170 HydrophobicContact CB-CG 3.96Å; L168-Q170 PolarHBondContact O-N 3.22Å; L168-Q170 PolarHBondContact O-NE2 2.99Å; L168-Q170 VanDerWaalsContact O-NE2 3.13Å; Q170-V179 HydrophobicContact CG-CB 4.14Å; Q170-V179 HydrophobicContact CG-CG1 3.7Å; Q170-V180 HydrophobicContact CB-CG2 3.82Å; Q170-V180 HydrophobicContact CG-CG2 4.11Å
171P95Very high96.7Very high43 Ų4316 Ų1628%0.2799%0.093SC..  trans-69.8174.8171.333.6-36.4000111.4Y132 H165 D173 G176Y132-P171 WeakPolarHBondContact OH-CA 3.48Å; Y132-P171 WeakPolarHBondContact OH-CB 3.37Å; H165-P171 PolarHBondContact CE1-O 3.09Å; H165-P171 VanDerWaalsContact CE1-O 3.3Å; H165-P171 PolarHBondContact ND1-O 3.38Å; P171-D173 VanDerWaalsContact C-N 3.27Å; P171-D173 PolarHBondContact O-N 3.44Å; P171-G176 CarbonylContact O-C 3.52Å; P171-G176 WeakPolarHBondContact O-CA 3.39Å
172T94.2Very high96.7Very high26 Ų2618.1 Ų18.116%0.1610%0.101CC..SBendtrans-94.723.5176.153.20000112.2F128 Y132 Y134 E177F128-T172 HydrophobicContact CE1-CG2 4.44Å; F128-T172 HydrophobicContact CE2-CG2 3.94Å; F128-T172 HydrophobicContact CZ-CG2 3.43Å; F128-T172 VanDerWaalsContact CZ-CG2 3.43Å; Y132-T172 VanDerWaalsContact CD1-OG1 3.23Å; Y132-T172 WeakPolarHBondContact CD1-OG1 3.42Å; Y132-T172 HydrophobicContact CD2-CG2 4.19Å; Y132-T172 WeakPolarHBondContact CE1-OG1 3.39Å; Y132-T172 HydrophobicContact CE2-CG2 4.18Å; Y134-T172 HydrophobicContact CE2-CG2 3.74Å; T172-E177 WeakPolarHBondContact CA-OE1 3.39Å
173D93.2Very high96.7Very high51 Ų5118 Ų1827%0.27310%0.1SC..SBendtrans-78.6168.7169.678.52.1000110.3P171 L175 G176 E177 R259P171-D173 VanDerWaalsContact C-N 3.27Å; P171-D173 PolarHBondContact O-N 3.44Å; D173-L175 PolarHBondContact O-N 2.84Å; D173-L175 PolarHBondContact OD1-N 3.45Å; D173-L175 VanDerWaalsContact OD1-N 3.15Å; D173-G176 PolarHBondContact O-N 3.13Å; D173-G176 VanDerWaalsContact O-N 3.11Å; D173-G176 PolarHBondContact OD1-N 2.89Å; D173-E177 WeakPolarHBondContact O-CG 3.47Å; D173-E177 PolarHBondContact O-N 2.82Å; D173-R259 IonicContact OD2-CZ 2.77Å; D173-R259 IonicContact OD2-NE 3.55Å; D173-R259 IonicContact OD2-NH2 3.66Å; D173-R259 PolarHBondContact OD2-NH2 3.22Å
174M93.4Very high96.7Very high68 Ų6818.3 Ų18.334%0.33510%0.102SC..Hα-helixtrans-55.1-33.2-176-166.368.7-150.400113.5V178 G200 R203 L204M174-V178 HydrophobicContact CE-CG2 4.05Å; M174-V178 WeakPolarHBondContact O-CB 3.43Å; M174-V178 WeakPolarHBondContact O-CG2 3.47Å; M174-V178 PolarHBondContact O-N 3.15Å; M174-G200 WeakPolarHBondContact CE-O 3.32Å; M174-R203 HydrophobicContact CE-CB 4.43Å; M174-L204 HydrophobicContact CB-CD2 4.19Å; M174-L204 HydrophobicContact CG-CD2 3.81Å
175L94.9Very high96.7Very high6 Ų618.2 Ų18.23%0.03110%0.101CC..Hα-helixtrans-73.6-48.3178.8175.458.7000110.9D173 E177 V178 V179 L204 Q208 C211 F212 H216D173-L175 PolarHBondContact O-N 2.84Å; D173-L175 PolarHBondContact OD1-N 3.45Å; D173-L175 VanDerWaalsContact OD1-N 3.15Å; L175-E177 VanDerWaalsContact C-N 3.34Å; L175-E177 PolarHBondContact O-N 3.46Å; L175-V178 PolarHBondContact O-N 3.02Å; L175-V179 HydrophobicContact CD1-CG2 4.28Å; L175-V179 WeakPolarHBondContact O-CG2 3.35Å; L175-V179 PolarHBondContact O-N 3.21Å; L175-L204 HydrophobicContact CB-CD2 4.19Å; L175-L204 HydrophobicContact CD1-CD1 4.14Å; L175-L204 HydrophobicContact CD1-CD2 4.44Å; L175-Q208 HydrophobicContact CB-CB 4.42Å; L175-Q208 HydrophobicContact CB-CG 4.45Å; L175-C211 HydrophobicContact CD2-CB 3.92Å; L175-F212 HydrophobicContact CD1-CB 3.7Å; L175-F212 HydrophobicContact CD1-CD2 3.87Å; L175-F212 HydrophobicContact CD1-CG 4.19Å; L175-H216 HydrophobicContact CD1-CB 4.42Å
176G95.7Very high96.8Very high0 Ų020.5 Ų20.50%011%0.113CC..Hα-helixtrans-62-40.7179.100000112.4P171 D173 V178 V179 V180P171-G176 CarbonylContact O-C 3.52Å; P171-G176 WeakPolarHBondContact O-CA 3.39Å; D173-G176 PolarHBondContact O-N 3.13Å; D173-G176 VanDerWaalsContact O-N 3.11Å; D173-G176 PolarHBondContact OD1-N 2.89Å; G176-V178 PolarHBondContact O-N 3.1Å; G176-V179 PolarHBondContact O-N 3.18Å; G176-V180 WeakPolarHBondContact O-CG2 3.26Å; G176-V180 PolarHBondContact O-N 3.35Å
177E96Very high96.8Very high50 Ų5020.6 Ų20.623%0.23411%0.113CC..Hα-helixtrans-58.2-47.3171.7-70.2-61.615400111.6H161 H165 T172 D173 L175 V179 V180 K181H161-E177 IonicContact CE1-OE2 3.32Å; H161-E177 IonicContact NE2-OE2 2.73Å; H165-E177 IonicContact CE1-OE1 2.7Å; H165-E177 PolarHBondContact CE1-OE1 3Å; H165-E177 IonicContact NE2-OE1 3.69Å; H165-E177 PolarHBondContact NE2-OE1 2.63Å; H165-E177 IonicContact NE2-OE2 3.03Å; T172-E177 WeakPolarHBondContact CA-OE1 3.39Å; D173-E177 WeakPolarHBondContact O-CG 3.47Å; D173-E177 PolarHBondContact O-N 2.82Å; L175-E177 VanDerWaalsContact C-N 3.34Å; L175-E177 PolarHBondContact O-N 3.46Å; E177-V179 VanDerWaalsContact C-N 3.33Å; E177-V179 PolarHBondContact O-N 3.45Å; E177-V180 PolarHBondContact O-N 3.1Å; E177-K181 WeakPolarHBondContact O-CB 3.33Å; E177-K181 WeakPolarHBondContact O-CG 3.45Å; E177-K181 PolarHBondContact O-N 3.25Å
178V96.8Very high96.8Very high2 Ų220.9 Ų20.91%0.01212%0.115CC..Hα-helixtrans-60.2-43.4177.8165.10000111.5M174 L175 G176 K181 W182 L204 F212M174-V178 HydrophobicContact CE-CG2 4.05Å; M174-V178 WeakPolarHBondContact O-CB 3.43Å; M174-V178 WeakPolarHBondContact O-CG2 3.47Å; M174-V178 PolarHBondContact O-N 3.15Å; L175-V178 PolarHBondContact O-N 3.02Å; G176-V178 PolarHBondContact O-N 3.1Å; V178-K181 PolarHBondContact O-N 2.97Å; V178-W182 PolarHBondContact O-N 2.77Å; V178-L204 HydrophobicContact CG2-CD2 4.29Å; V178-F212 HydrophobicContact CG1-CD2 4.18Å; V178-F212 HydrophobicContact CG1-CE2 3.61Å; V178-F212 HydrophobicContact CG1-CZ 3.98Å
179V97.5Very high96.9Very high0 Ų024.7 Ų24.70%013%0.134CC..Hα-helixtrans-62.6-48.4179172.10000111.3Q170 L175 G176 E177 K181 W182 V183 H216 Y219 A220Q170-V179 HydrophobicContact CG-CB 4.14Å; Q170-V179 HydrophobicContact CG-CG1 3.7Å; L175-V179 HydrophobicContact CD1-CG2 4.28Å; L175-V179 WeakPolarHBondContact O-CG2 3.35Å; L175-V179 PolarHBondContact O-N 3.21Å; G176-V179 PolarHBondContact O-N 3.18Å; E177-V179 VanDerWaalsContact C-N 3.33Å; E177-V179 PolarHBondContact O-N 3.45Å; V179-K181 VanDerWaalsContact C-N 3.33Å; V179-K181 PolarHBondContact O-N 3.22Å; V179-W182 PolarHBondContact O-N 3.23Å; V179-V183 WeakPolarHBondContact O-CG2 3.36Å; V179-V183 PolarHBondContact O-N 2.83Å; V179-V183 VanDerWaalsContact O-N 3.12Å; V179-H216 HydrophobicContact CG2-CB 3.6Å; V179-Y219 HydrophobicContact CG1-CD1 4.01Å; V179-Y219 HydrophobicContact CG1-CE1 4.24Å; V179-A220 HydrophobicContact CG1-CB 4.12Å
180V98.3Very high97Very high0 Ų022.9 Ų22.90%012%0.116CC..Hα-helixtrans-60.7-44176.9170.20000110.5V164 L168 Q170 G176 E177 W182 V183 E184V164-V180 HydrophobicContact CG1-CG1 4Å; L168-V180 HydrophobicContact CD1-CG2 4.26Å; Q170-V180 HydrophobicContact CB-CG2 3.82Å; Q170-V180 HydrophobicContact CG-CG2 4.11Å; G176-V180 WeakPolarHBondContact O-CG2 3.26Å; G176-V180 PolarHBondContact O-N 3.35Å; E177-V180 PolarHBondContact O-N 3.1Å; V180-W182 VanDerWaalsContact C-N 3.33Å; V180-W182 PolarHBondContact O-N 2.74Å; V180-V183 PolarHBondContact O-N 2.77Å; V180-E184 HydrophobicContact CG1-CG 4.12Å; V180-E184 WeakPolarHBondContact CG1-OE1 3.34Å; V180-E184 WeakPolarHBondContact O-CB 3.42Å; V180-E184 VanDerWaalsContact O-CG 3.32Å; V180-E184 WeakPolarHBondContact O-CG 3.27Å; V180-E184 PolarHBondContact O-N 2.72Å
181K98.4Very high97.1Very high18 Ų1824.2 Ų24.28%0.07813%0.125CC..Hα-helixtrans-64.8-33.3178.5-67.9-68.9161.8-143.60113.3Y157 E177 V178 V179 E184 G185Y157-K181 PolarHBondContact OH-NZ 2.58Å; E177-K181 WeakPolarHBondContact O-CB 3.33Å; E177-K181 WeakPolarHBondContact O-CG 3.45Å; E177-K181 PolarHBondContact O-N 3.25Å; V178-K181 PolarHBondContact O-N 2.97Å; V179-K181 VanDerWaalsContact C-N 3.33Å; V179-K181 PolarHBondContact O-N 3.22Å; K181-E184 IonicContact NZ-OE2 3.61Å; K181-E184 PolarHBondContact NZ-OE2 3.12Å; K181-G185 WeakPolarHBondContact O-CA 3.43Å; K181-G185 PolarHBondContact O-N 3.28Å
182W98.4Very high97.1Very high57 Ų5722.6 Ų22.622%0.21611%0.114CC..Hα-helixtrans-65.2-45.8171.5-88.1109.1000112.2V178 V179 V180 G185 I186 G197 F212 A220V178-W182 PolarHBondContact O-N 2.77Å; V179-W182 PolarHBondContact O-N 3.23Å; V180-W182 VanDerWaalsContact C-N 3.33Å; V180-W182 PolarHBondContact O-N 2.74Å; W182-G185 PolarHBondContact O-N 3.26Å; W182-I186 HydrophobicContact CE3-CD1 4.39Å; W182-I186 HydrophobicContact CE3-CG1 4.47Å; W182-I186 WeakPolarHBondContact O-CB 3.48Å; W182-I186 WeakPolarHBondContact O-CD1 3.17Å; W182-I186 WeakPolarHBondContact O-CG1 3.4Å; W182-I186 PolarHBondContact O-N 3.46Å; W182-G197 PolarHBondContact NE1-O 2.71Å; W182-G197 VanDerWaalsContact NE1-O 3.17Å; W182-F212 AromaticContact NE1-CZ 3.66Å; W182-A220 HydrophobicContact CB-CB 3.76Å
183V98.7Very high97.3Very high0 Ų021.3 Ų21.30%011%0.106CC..Hα-helixtrans-63.1-50.1178.31750000110.4L168 V179 V180 G185 I186 Q187 A220 T223 L230L168-V183 HydrophobicContact CD1-CB 3.92Å; L168-V183 HydrophobicContact CD1-CG1 3.92Å; L168-V183 HydrophobicContact CD1-CG2 3.76Å; V179-V183 WeakPolarHBondContact O-CG2 3.36Å; V179-V183 PolarHBondContact O-N 2.83Å; V179-V183 VanDerWaalsContact O-N 3.12Å; V180-V183 PolarHBondContact O-N 2.77Å; V183-G185 VanDerWaalsContact C-N 3.33Å; V183-G185 PolarHBondContact O-N 3.03Å; V183-I186 PolarHBondContact O-N 3.04Å; V183-Q187 WeakPolarHBondContact O-CG 3.05Å; V183-Q187 PolarHBondContact O-N 3.33Å; V183-Q187 VanDerWaalsContact O-N 3.12Å; V183-A220 HydrophobicContact CG2-CB 4.09Å; V183-A220 WeakPolarHBondContact CG2-O 3.25Å; V183-T223 HydrophobicContact CG1-CG2 4.09Å; V183-T223 HydrophobicContact CG2-CG2 4.24Å; V183-L230 HydrophobicContact CG1-CD1 4.32Å
184E98.7Very high97.5Very high7 Ų722 Ų223%0.03311%0.11CC..Hα-helixtrans-58.7-44.7175.7-70.7176.8169.200111.1Y157 H161 V180 K181 Q187 T188 C193Y157-E184 HydrophobicContact CE2-CB 4.22Å; Y157-E184 HydrophobicContact CE2-CG 4.08Å; Y157-E184 PolarHBondContact OH-OE2 2.84Å; H161-E184 IonicContact CE1-OE1 3.7Å; H161-E184 IonicContact CG-OE1 3.74Å; H161-E184 IonicContact ND1-OE1 2.74Å; H161-E184 PolarHBondContact ND1-OE1 3.2Å; H161-E184 IonicContact ND1-OE2 2.63Å; V180-E184 HydrophobicContact CG1-CG 4.12Å; V180-E184 WeakPolarHBondContact CG1-OE1 3.34Å; V180-E184 WeakPolarHBondContact O-CB 3.42Å; V180-E184 VanDerWaalsContact O-CG 3.32Å; V180-E184 WeakPolarHBondContact O-CG 3.27Å; V180-E184 PolarHBondContact O-N 2.72Å; K181-E184 IonicContact NZ-OE2 3.61Å; K181-E184 PolarHBondContact NZ-OE2 3.12Å; E184-Q187 PolarHBondContact O-N 2.89Å; E184-T188 VanDerWaalsContact O-CB 3.26Å; E184-T188 WeakPolarHBondContact O-CB 3.42Å; E184-T188 WeakPolarHBondContact O-CG2 3.35Å; E184-T188 PolarHBondContact O-N 3.34Å; E184-T188 PolarHBondContact O-OG1 3.01Å; E184-C193 HydrophobicContact CB-CB 4.07Å
185G98.6Very high97.6Very high0 Ų021.2 Ų21.20%011%0.109CC..Hα-helixtrans-63.6-44.9-178.200000112.7K181 W182 V183 Q187 L189 C193 L194K181-G185 WeakPolarHBondContact O-CA 3.43Å; K181-G185 PolarHBondContact O-N 3.28Å; W182-G185 PolarHBondContact O-N 3.26Å; V183-G185 VanDerWaalsContact C-N 3.33Å; V183-G185 PolarHBondContact O-N 3.03Å; G185-Q187 VanDerWaalsContact C-N 3.33Å; G185-Q187 PolarHBondContact O-N 3.33Å; G185-L189 VanDerWaalsContact O-CA 3.32Å; G185-L189 WeakPolarHBondContact O-CA 3.38Å; G185-L189 PolarHBondContact O-N 3.13Å; G185-C193 VanDerWaalsContact CA-CB 3.44Å; G185-L194 WeakPolarHBondContact O-CD2 3.46Å
186I98.6Very high97.7Very high48 Ų4822.2 Ų22.225%0.24612%0.12CC..Hα-helixtrans-63.2-40.9176.8-68.5165.5000110.9W182 V183 I221 G224 R225W182-I186 HydrophobicContact CE3-CD1 4.39Å; W182-I186 HydrophobicContact CE3-CG1 4.47Å; W182-I186 WeakPolarHBondContact O-CB 3.48Å; W182-I186 WeakPolarHBondContact O-CD1 3.17Å; W182-I186 WeakPolarHBondContact O-CG1 3.4Å; W182-I186 PolarHBondContact O-N 3.46Å; V183-I186 PolarHBondContact O-N 3.04Å; I186-I221 HydrophobicContact CD1-CB 4.42Å; I186-I221 HydrophobicContact CD1-CG1 4.25Å; I186-G224 VanDerWaalsContact CG2-C 3.44Å; I186-G224 WeakPolarHBondContact CG2-O 3.26Å; I186-R225 HydrophobicContact CG2-CG 3.94Å
187Q98.7Very high97.7Very high12 Ų1222.2 Ų22.26%0.05612%0.12CC..Hα-helixtrans-77.2-42.4-177.4-74.5-159.63.900113.6V183 E184 G185 G224 R228 F229V183-Q187 WeakPolarHBondContact O-CG 3.05Å; V183-Q187 PolarHBondContact O-N 3.33Å; V183-Q187 VanDerWaalsContact O-N 3.12Å; E184-Q187 PolarHBondContact O-N 2.89Å; G185-Q187 VanDerWaalsContact C-N 3.33Å; G185-Q187 PolarHBondContact O-N 3.33Å; Q187-G224 VanDerWaalsContact CG-O 3.24Å; Q187-G224 WeakPolarHBondContact CG-O 3.34Å; Q187-R228 PolarHBondContact NE2-O 2.77Å; Q187-R228 VanDerWaalsContact NE2-O 3.13Å; Q187-F229 HydrophobicContact CB-CD2 3.89Å; Q187-F229 HydrophobicContact CB-CE2 3.9Å; Q187-F229 HydrophobicContact CG-CD2 4.37Å; Q187-F229 WeakPolarHBondContact O-CE2 3.43Å
188T98.6Very high97.7Very high7 Ų725.5 Ų25.54%0.04313%0.131CC..Hα-helixtrans-100.1-25.5-167.966.70000113.5I83 Y157 E184 L190 F229 M231I83-T188 HydrophobicContact CD1-CG2 4.15Å; Y157-T188 HydrophobicContact CD2-CG2 4.42Å; E184-T188 VanDerWaalsContact O-CB 3.26Å; E184-T188 WeakPolarHBondContact O-CB 3.42Å; E184-T188 WeakPolarHBondContact O-CG2 3.35Å; E184-T188 PolarHBondContact O-N 3.34Å; E184-T188 PolarHBondContact O-OG1 3.01Å; T188-L190 HydrophobicContact CG2-CD1 4.46Å; T188-L190 PolarHBondContact O-N 3.25Å; T188-L190 PolarHBondContact OG1-N 3.33Å; T188-F229 HydrophobicContact CG2-CE2 4.44Å; T188-M231 HydrophobicContact CG2-CG 4.34Å
189L98.5Very high97.6Very high79 Ų7929.3 Ų29.341%0.41415%0.148SC..  trans58.315.3-169.9-50.9177000114.3A79 K82 G185A79-L189 HydrophobicContact CB-CB 4.39Å; A79-L189 WeakPolarHBondContact CB-O 3.17Å; K82-L189 HydrophobicContact CD-CD1 4.08Å; G185-L189 VanDerWaalsContact O-CA 3.32Å; G185-L189 WeakPolarHBondContact O-CA 3.38Å; G185-L189 PolarHBondContact O-N 3.13Å
190L98.5Very high97.5Very high0 Ų029.6 Ų29.60%015%0.151CC..  trans-61.5127.7175.3-76.9167.2000109.2A79 L80 I83 M154 Y157 T188 M192 C193 L194A79-L190 HydrophobicContact CB-CD2 3.97Å; A79-L190 HydrophobicContact CB-CG 4.28Å; L80-L190 HydrophobicContact CD2-CD2 4.05Å; L80-L190 HydrophobicContact CG-CD2 4.19Å; I83-L190 HydrophobicContact CD1-CD1 4.23Å; I83-L190 HydrophobicContact CD1-CD2 4.44Å; I83-L190 HydrophobicContact CD1-CG 4.07Å; M154-L190 HydrophobicContact SD-CD2 4.37Å; Y157-L190 HydrophobicContact CD1-CD1 3.64Å; Y157-L190 HydrophobicContact CD2-CD1 3.8Å; Y157-L190 HydrophobicContact CE1-CD1 3.83Å; Y157-L190 HydrophobicContact CE2-CD1 3.99Å; Y157-L190 HydrophobicContact CG-CD1 3.65Å; T188-L190 HydrophobicContact CG2-CD1 4.46Å; T188-L190 PolarHBondContact O-N 3.25Å; T188-L190 PolarHBondContact OG1-N 3.33Å; L190-M192 VanDerWaalsContact C-N 3.26Å; L190-M192 HydrophobicContact CB-CG 4.21Å; L190-M192 PolarHBondContact O-N 3.45Å; L190-C193 HydrophobicContact CB-CB 4.35Å; L190-C193 WeakPolarHBondContact O-CB 3.42Å; L190-C193 PolarHBondContact O-N 3.05Å; L190-L194 PolarHBondContact O-N 2.96Å; L190-L194 VanDerWaalsContact O-N 3.13Å
191P97.4Very high97.4Very high34 Ų3430.6 Ų30.622%0.22116%0.158CC..Hα-helixtrans-54.8-41.6-177.7-29.336.4000112.7F71 C193 L194 T195F71-P191 HydrophobicContact CE1-CB 4.23Å; F71-P191 HydrophobicContact CZ-CB 4.13Å; P191-C193 VanDerWaalsContact C-N 3.26Å; P191-C193 PolarHBondContact O-N 2.73Å; P191-L194 PolarHBondContact O-N 2.97Å; P191-T195 WeakPolarHBondContact O-CB 3.39Å; P191-T195 WeakPolarHBondContact O-CG2 3.39Å; P191-T195 PolarHBondContact O-N 3.26Å; P191-T195 PolarHBondContact O-OG1 2.78Å
192M96.2Very high97.2Very high9 Ų935.1 Ų35.14%0.04418%0.182CC..Hα-helixtrans-58.9-32.3177.165.2-179.6-80.600114.2L68 F71 G72 M154 Y157 L190 G196L68-M192 HydrophobicContact CD1-CB 3.95Å; L68-M192 HydrophobicContact CD1-CE 3.99Å; L68-M192 HydrophobicContact CD2-CE 4.13Å; L68-M192 HydrophobicContact CG-CE 3.71Å; F71-M192 HydrophobicContact CD1-CB 3.8Å; F71-M192 HydrophobicContact CE1-CB 4.16Å; G72-M192 WeakPolarHBondContact CA-SD 3.12Å; M154-M192 HydrophobicContact CE-SD 3.73Å; Y157-M192 HydrophobicContact CE1-CE 3.79Å; Y157-M192 HydrophobicContact CE1-SD 3.94Å; L190-M192 VanDerWaalsContact C-N 3.26Å; L190-M192 HydrophobicContact CB-CG 4.21Å; L190-M192 PolarHBondContact O-N 3.45Å; M192-G196 WeakPolarHBondContact O-CA 3.17Å; M192-G196 PolarHBondContact O-N 2.89Å
193C98Very high96.9Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-77.6-47.2178.1-56.40000110.4Y157 E184 G185 L190 P191 G196 G197Y157-C193 PolarHBondContact OH-SG 2.98Å; E184-C193 HydrophobicContact CB-CB 4.07Å; G185-C193 VanDerWaalsContact CA-CB 3.44Å; L190-C193 HydrophobicContact CB-CB 4.35Å; L190-C193 WeakPolarHBondContact O-CB 3.42Å; L190-C193 PolarHBondContact O-N 3.05Å; P191-C193 VanDerWaalsContact C-N 3.26Å; P191-C193 PolarHBondContact O-N 2.73Å; C193-G196 PolarHBondContact O-N 3.03Å; C193-G197 PolarHBondContact O-N 2.65Å
194L97.9Very high96.7Very high66 Ų6639 Ų3935%0.34620%0.198SC..Hα-helixtrans-61.5-49.2178.9-67.5172.2000111.5G185 L190 P191 Y198G185-L194 WeakPolarHBondContact O-CD2 3.46Å; L190-L194 PolarHBondContact O-N 2.96Å; L190-L194 VanDerWaalsContact O-N 3.13Å; P191-L194 PolarHBondContact O-N 2.97Å; L194-Y198 WeakPolarHBondContact O-CB 3.39Å; L194-Y198 PolarHBondContact O-N 2.82Å
195T96.1Very high96.5Very high51 Ų5141 Ų4131%0.31322%0.216SC..Hα-helixtrans-72.1-35.8179.363.30000111.6P191 Y198 F199P191-T195 WeakPolarHBondContact O-CB 3.39Å; P191-T195 WeakPolarHBondContact O-CG2 3.39Å; P191-T195 PolarHBondContact O-N 3.26Å; P191-T195 PolarHBondContact O-OG1 2.78Å; T195-Y198 PolarHBondContact O-N 2.71Å; T195-F199 HydrophobicContact CG2-CE2 4.37Å; T195-F199 WeakPolarHBondContact O-CB 3.41Å; T195-F199 WeakPolarHBondContact O-CD2 3.42Å; T195-F199 PolarHBondContact O-N 3.24Å
196G95.4Very high96.3Very high26 Ų2646.6 Ų46.627%0.26825%0.252SS..Hα-helixtrans-61.7-46.2173.900000112.6M192 C193 G200M192-G196 WeakPolarHBondContact O-CA 3.17Å; M192-G196 PolarHBondContact O-N 2.89Å; C193-G196 PolarHBondContact O-N 3.03Å; G196-G200 VanDerWaalsContact O-CA 3.22Å; G196-G200 WeakPolarHBondContact O-CA 3.4Å; G196-G200 PolarHBondContact O-N 2.9Å
197G96.1Very high96Very high0 Ų049.6 Ų49.60%026%0.263CS..Hα-helixtrans-63.9-43.9174.900000112.3W182 C193 S201W182-G197 PolarHBondContact NE1-O 2.71Å; W182-G197 VanDerWaalsContact NE1-O 3.17Å; C193-G197 PolarHBondContact O-N 2.65Å; G197-S201 VanDerWaalsContact O-CB 3.3Å; G197-S201 WeakPolarHBondContact O-CB 3.23Å; G197-S201 PolarHBondContact O-N 3.46Å; G197-S201 VanDerWaalsContact O-N 3.15Å; G197-S201 PolarHBondContact O-OG 3.1Å
198Y96.4Very high95.7Very high120 Ų12050.1 Ų50.147%0.47127%0.266SS..Hα-helixtrans-69.4-62.9-180-178.9-102.3000112.7L194 T195 G200 S201 L202L194-Y198 WeakPolarHBondContact O-CB 3.39Å; L194-Y198 PolarHBondContact O-N 2.82Å; T195-Y198 PolarHBondContact O-N 2.71Å; Y198-G200 VanDerWaalsContact C-N 3.28Å; Y198-G200 PolarHBondContact O-N 3.22Å; Y198-S201 PolarHBondContact O-N 3.28Å; Y198-S201 VanDerWaalsContact O-N 3.13Å; Y198-S201 PolarHBondContact O-OG 3.31Å; Y198-L202 HydrophobicContact CE1-CD1 4.05Å; Y198-L202 PolarHBondContact O-N 2.81Å
199F95.1Very high95.5Very high81 Ų8152.3 Ų52.336%0.35528%0.279SS..Hα-helixtrans-68.5-28.5-178-69-67.2000112.7L59 T195 S201 L202L59-F199 HydrophobicContact CD2-CB 3.8Å; L59-F199 HydrophobicContact CD2-CD1 4.44Å; L59-F199 HydrophobicContact CD2-CD2 3.87Å; L59-F199 HydrophobicContact CD2-CG 3.8Å; T195-F199 HydrophobicContact CG2-CE2 4.37Å; T195-F199 WeakPolarHBondContact O-CB 3.41Å; T195-F199 WeakPolarHBondContact O-CD2 3.42Å; T195-F199 PolarHBondContact O-N 3.24Å; F199-S201 VanDerWaalsContact C-N 3.35Å; F199-L202 HydrophobicContact CD1-CD1 4.14Å; F199-L202 PolarHBondContact O-N 3.34Å
200G94.8Very high95.3Very high6 Ų654 Ų546%0.06229%0.285CS..Hα-helixtrans-64.3-40.317200000111.9M174 G196 Y198 L202 R203M174-G200 WeakPolarHBondContact CE-O 3.32Å; G196-G200 VanDerWaalsContact O-CA 3.22Å; G196-G200 WeakPolarHBondContact O-CA 3.4Å; G196-G200 PolarHBondContact O-N 2.9Å; Y198-G200 VanDerWaalsContact C-N 3.28Å; Y198-G200 PolarHBondContact O-N 3.22Å; G200-L202 VanDerWaalsContact C-N 3.25Å; G200-L202 PolarHBondContact O-N 2.64Å; G200-R203 PolarHBondContact O-N 3.24Å
201S95.4Very high95.1Very high22 Ų2255 Ų5515%0.15429%0.292CS..Hα-helixtrans-63.1-31.217873.40000113.2G197 Y198 F199 R203 L204G197-S201 VanDerWaalsContact O-CB 3.3Å; G197-S201 WeakPolarHBondContact O-CB 3.23Å; G197-S201 PolarHBondContact O-N 3.46Å; G197-S201 VanDerWaalsContact O-N 3.15Å; G197-S201 PolarHBondContact O-OG 3.1Å; Y198-S201 PolarHBondContact O-N 3.28Å; Y198-S201 VanDerWaalsContact O-N 3.13Å; Y198-S201 PolarHBondContact O-OG 3.31Å; F199-S201 VanDerWaalsContact C-N 3.35Å; S201-R203 PolarHBondContact O-N 2.99Å; S201-L204 WeakPolarHBondContact O-CG 3.14Å; S201-L204 PolarHBondContact O-N 2.98Å
202L95.1Very high95Very high113 Ų11354 Ų5459%0.59228%0.284SS*.THydrogen-bonded Turntrans-70.9-13175.4-58.7-179.3000113.6Y198 F199 G200Y198-L202 HydrophobicContact CE1-CD1 4.05Å; Y198-L202 PolarHBondContact O-N 2.81Å; F199-L202 HydrophobicContact CD1-CD1 4.14Å; F199-L202 PolarHBondContact O-N 3.34Å; G200-L202 VanDerWaalsContact C-N 3.25Å; G200-L202 PolarHBondContact O-N 2.64Å
203R92.8Very high94.9Very high124 Ų12458.5 Ų58.547%0.46831%0.311SS..THydrogen-bonded Turntrans-106.45.8-177.9-67.1179.6173.5-168.4-3.9113.5L59 P62 M174 G200 S201L59-R203 PolarHBondContact O-NH1 3.04Å; L59-R203 PolarHBondContact O-NH2 3.28Å; P62-R203 VanDerWaalsContact CG-NH1 3.28Å; M174-R203 HydrophobicContact CE-CB 4.43Å; G200-R203 PolarHBondContact O-N 3.24Å; S201-R203 PolarHBondContact O-N 2.99Å
204L93.8Very high94.7Very high15 Ų1566.2 Ų66.28%0.07934%0.341CS..  trans-67.8137.5178-66.5176000110.5M174 L175 V178 S201 Q208 T209 F212M174-L204 HydrophobicContact CB-CD2 4.19Å; M174-L204 HydrophobicContact CG-CD2 3.81Å; L175-L204 HydrophobicContact CB-CD2 4.19Å; L175-L204 HydrophobicContact CD1-CD1 4.14Å; L175-L204 HydrophobicContact CD1-CD2 4.44Å; V178-L204 HydrophobicContact CG2-CD2 4.29Å; S201-L204 WeakPolarHBondContact O-CG 3.14Å; S201-L204 PolarHBondContact O-N 2.98Å; L204-Q208 HydrophobicContact CB-CB 3.94Å; L204-Q208 HydrophobicContact CD2-CB 4.08Å; L204-Q208 HydrophobicContact CG-CB 4.46Å; L204-T209 VanDerWaalsContact CB-OG1 3.3Å; L204-T209 WeakPolarHBondContact CB-OG1 3.43Å; L204-T209 PolarHBondContact O-OG1 2.93Å; L204-F212 HydrophobicContact CD1-CB 3.72Å; L204-F212 HydrophobicContact CD1-CD1 3.98Å; L204-F212 HydrophobicContact CD1-CD2 4.26Å; L204-F212 HydrophobicContact CD1-CG 3.73Å
205A94.2Very high94.5Very high49 Ų4964.7 Ų64.741%0.40534%0.335SS..  trans-64155.4171.200000110.3K207 Q208 T209A205-K207 VanDerWaalsContact C-N 3.35Å; A205-K207 PolarHBondContact O-N 3.33Å; A205-K207 VanDerWaalsContact O-N 3.12Å; A205-Q208 HydrophobicContact CB-CG 4.36Å; A205-Q208 CarbonylContact O-C 3.58Å; A205-Q208 WeakPolarHBondContact O-CA 3.38Å; A205-Q208 WeakPolarHBondContact O-CB 3.34Å; A205-Q208 PolarHBondContact O-N 3.41Å; A205-T209 PolarHBondContact O-N 3.43Å; A205-T209 PolarHBondContact O-OG1 3Å
206P94Very high94.5Very high116 Ų11662.8 Ų62.875%0.75332%0.323SS*.Hα-helixtrans-49.1-46.8-173.1-31.136000115.3Q208 T209 E210P206-Q208 PolarHBondContact O-N 3.02Å; P206-T209 WeakPolarHBondContact O-CB 3.47Å; P206-T209 PolarHBondContact O-N 3.49Å; P206-E210 PolarHBondContact O-N 3.14Å
207K91.9Very high94.5Very high112 Ų11263.9 Ų63.949%0.48732%0.322SS..Hα-helixtrans-64.1-37.6175.7-67.8-168.6179.7-171.60112.9A205 E210 C211 D262A205-K207 VanDerWaalsContact C-N 3.35Å; A205-K207 PolarHBondContact O-N 3.33Å; A205-K207 VanDerWaalsContact O-N 3.12Å; K207-E210 PolarHBondContact O-N 3.41Å; K207-C211 PolarHBondContact O-N 2.88Å; K207-C211 VanDerWaalsContact O-N 3.11Å; K207-C211 PolarHBondContact O-SG 3.18Å; K207-D262 PolarHBondContact NZ-O 3.34Å; K207-D262 IonicContact NZ-OD2 2.84Å; K207-D262 PolarHBondContact NZ-OD2 3.19Å
208Q93.7Very high94.5Very high22 Ų2270.1 Ų70.110%0.10335%0.351CS..Hα-helixtrans-67.1-39.9176-65.7176.5-58.800111L175 L204 A205 P206 E210 C211 F212L175-Q208 HydrophobicContact CB-CB 4.42Å; L175-Q208 HydrophobicContact CB-CG 4.45Å; L204-Q208 HydrophobicContact CB-CB 3.94Å; L204-Q208 HydrophobicContact CD2-CB 4.08Å; L204-Q208 HydrophobicContact CG-CB 4.46Å; A205-Q208 HydrophobicContact CB-CG 4.36Å; A205-Q208 CarbonylContact O-C 3.58Å; A205-Q208 WeakPolarHBondContact O-CA 3.38Å; A205-Q208 WeakPolarHBondContact O-CB 3.34Å; A205-Q208 PolarHBondContact O-N 3.41Å; P206-Q208 PolarHBondContact O-N 3.02Å; Q208-E210 VanDerWaalsContact C-N 3.35Å; Q208-C211 PolarHBondContact O-N 3.3Å; Q208-F212 VanDerWaalsContact O-CB 3.22Å; Q208-F212 WeakPolarHBondContact O-CB 3.46Å; Q208-F212 PolarHBondContact O-N 3.48Å
209T95.2Very high94.6Very high53 Ų5365 Ų6533%0.32533%0.331SS..Hα-helixtrans-61.9-42.6175.6-55.90000111.3L204 A205 P206 F212 V213L204-T209 VanDerWaalsContact CB-OG1 3.3Å; L204-T209 WeakPolarHBondContact CB-OG1 3.43Å; L204-T209 PolarHBondContact O-OG1 2.93Å; A205-T209 PolarHBondContact O-N 3.43Å; A205-T209 PolarHBondContact O-OG1 3Å; P206-T209 WeakPolarHBondContact O-CB 3.47Å; P206-T209 PolarHBondContact O-N 3.49Å; T209-F212 WeakPolarHBondContact O-CB 3.3Å; T209-F212 PolarHBondContact O-N 2.91Å; T209-V213 HydrophobicContact CG2-CG2 4.47Å; T209-V213 WeakPolarHBondContact O-CG2 3.42Å; T209-V213 PolarHBondContact O-N 3.22Å
210E93.9Very high94.7Very high114 Ų11461.1 Ų61.153%0.53331%0.314SS..Hα-helixtrans-60-50.7174.4-170.5-165.9150.700111.5P206 K207 Q208 F212 V213 R214P206-E210 PolarHBondContact O-N 3.14Å; K207-E210 PolarHBondContact O-N 3.41Å; Q208-E210 VanDerWaalsContact C-N 3.35Å; E210-F212 VanDerWaalsContact C-N 3.27Å; E210-F212 PolarHBondContact O-N 2.88Å; E210-V213 PolarHBondContact O-N 2.71Å; E210-R214 WeakPolarHBondContact O-CB 3.43Å; E210-R214 PolarHBondContact O-N 3.43Å; E210-R214 IonicContact OE1-NH1 3.59Å
211C93Very high94.9Very high22 Ų2264 Ų6415%0.14933%0.327CS..Hα-helixtrans-60.5-37.3176-710000112.7L175 K207 Q208 S215 H216L175-C211 HydrophobicContact CD2-CB 3.92Å; K207-C211 PolarHBondContact O-N 2.88Å; K207-C211 VanDerWaalsContact O-N 3.11Å; K207-C211 PolarHBondContact O-SG 3.18Å; Q208-C211 PolarHBondContact O-N 3.3Å; C211-S215 PolarHBondContact O-N 2.76Å; C211-S215 PolarHBondContact O-OG 3.03Å; C211-H216 PolarHBondContact O-N 3.02Å; C211-H216 PolarHBondContact O-ND1 3.06Å
212F95.2Very high95Very high14 Ų1467.6 Ų67.66%0.06134%0.338CS..Iπ-helixtrans-62.1-55178.7179.3-116.1000111.2L175 V178 W182 L204 Q208 T209 E210 R214 H216 L217L175-F212 HydrophobicContact CD1-CB 3.7Å; L175-F212 HydrophobicContact CD1-CD2 3.87Å; L175-F212 HydrophobicContact CD1-CG 4.19Å; V178-F212 HydrophobicContact CG1-CD2 4.18Å; V178-F212 HydrophobicContact CG1-CE2 3.61Å; V178-F212 HydrophobicContact CG1-CZ 3.98Å; W182-F212 AromaticContact NE1-CZ 3.66Å; L204-F212 HydrophobicContact CD1-CB 3.72Å; L204-F212 HydrophobicContact CD1-CD1 3.98Å; L204-F212 HydrophobicContact CD1-CD2 4.26Å; L204-F212 HydrophobicContact CD1-CG 3.73Å; Q208-F212 VanDerWaalsContact O-CB 3.22Å; Q208-F212 WeakPolarHBondContact O-CB 3.46Å; Q208-F212 PolarHBondContact O-N 3.48Å; T209-F212 WeakPolarHBondContact O-CB 3.3Å; T209-F212 PolarHBondContact O-N 2.91Å; E210-F212 VanDerWaalsContact C-N 3.27Å; E210-F212 PolarHBondContact O-N 2.88Å; F212-R214 PolarHBondContact O-N 3.14Å; F212-H216 HydrophobicContact CD2-CB 4.37Å; F212-H216 PolarHBondContact O-N 3.08Å; F212-L217 HydrophobicContact CD2-CB 4.24Å; F212-L217 HydrophobicContact CE1-CB 4.3Å; F212-L217 HydrophobicContact CE1-CD1 4.38Å; F212-L217 HydrophobicContact CE1-CD2 4.21Å; F212-L217 HydrophobicContact CE2-CB 3.93Å; F212-L217 HydrophobicContact CE2-CD1 4.11Å; F212-L217 HydrophobicContact CZ-CB 3.98Å; F212-L217 HydrophobicContact CZ-CD1 3.68Å; F212-L217 HydrophobicContact CZ-CD2 4.31Å; F212-L217 HydrophobicContact CZ-CG 4.19Å; F212-L217 WeakPolarHBondContact O-CB 3.49Å; F212-L217 PolarHBondContact O-N 3.42Å
213V95.1Very high95.1Very high102 Ų10262.2 Ų62.262%0.61831%0.31SS*.Iπ-helixtrans-65.6-39.2-179.4174.70000111.4T209 E210T209-V213 HydrophobicContact CG2-CG2 4.47Å; T209-V213 WeakPolarHBondContact O-CG2 3.42Å; T209-V213 PolarHBondContact O-N 3.22Å; E210-V213 PolarHBondContact O-N 2.71Å
214R93.9Very high95.4Very high163 Ų16356.6 Ų56.662%0.61529%0.29SS*.Iπ-helixtrans-71.7-36.8-174.3-171.6177.871.6-168.82.6114.1E210 F212E210-R214 WeakPolarHBondContact O-CB 3.43Å; E210-R214 PolarHBondContact O-N 3.43Å; E210-R214 IonicContact OE1-NH1 3.59Å; F212-R214 PolarHBondContact O-N 3.14Å
215S93.4Very high95.6Very high33 Ų3365.2 Ų65.223%0.23132%0.322CS..Iπ-helixtrans-148-33.6-17264.20000115.6C211 Y219C211-S215 PolarHBondContact O-N 2.76Å; C211-S215 PolarHBondContact O-OG 3.03Å; S215-Y219 WeakPolarHBondContact O-CB 3.13Å; S215-Y219 PolarHBondContact O-N 3.31Å
216H95.8Very high95.8Very high12 Ų1267.4 Ų67.46%0.05632%0.323CS..Iπ-helixtrans-81-31.3-170.3-63.366000113.1L175 V179 C211 F212 A220L175-H216 HydrophobicContact CD1-CB 4.42Å; V179-H216 HydrophobicContact CG2-CB 3.6Å; C211-H216 PolarHBondContact O-N 3.02Å; C211-H216 PolarHBondContact O-ND1 3.06Å; F212-H216 HydrophobicContact CD2-CB 4.37Å; F212-H216 PolarHBondContact O-N 3.08Å; H216-A220 VanDerWaalsContact O-CB 3.28Å; H216-A220 WeakPolarHBondContact O-CB 3.44Å; H216-A220 PolarHBondContact O-N 3.46Å
217L96.1Very high96Very high48 Ų4862.3 Ų62.325%0.25129%0.291SS..Hα-helixtrans-66.4-46.3176.1177.557.3000111.3F212 A220 I221F212-L217 HydrophobicContact CD2-CB 4.24Å; F212-L217 HydrophobicContact CE1-CB 4.3Å; F212-L217 HydrophobicContact CE1-CD1 4.38Å; F212-L217 HydrophobicContact CE1-CD2 4.21Å; F212-L217 HydrophobicContact CE2-CB 3.93Å; F212-L217 HydrophobicContact CE2-CD1 4.11Å; F212-L217 HydrophobicContact CZ-CB 3.98Å; F212-L217 HydrophobicContact CZ-CD1 3.68Å; F212-L217 HydrophobicContact CZ-CD2 4.31Å; F212-L217 HydrophobicContact CZ-CG 4.19Å; F212-L217 WeakPolarHBondContact O-CB 3.49Å; F212-L217 PolarHBondContact O-N 3.42Å; L217-A220 PolarHBondContact O-N 3.44Å; L217-I221 HydrophobicContact CD1-CD1 3.66Å; L217-I221 HydrophobicContact CD1-CG1 3.98Å; L217-I221 HydrophobicContact CG-CD1 3.86Å; L217-I221 WeakPolarHBondContact O-CB 3.3Å; L217-I221 WeakPolarHBondContact O-CG1 3.17Å; L217-I221 PolarHBondContact O-N 2.57Å
218E96.4Very high96.3Very high131 Ų13160.4 Ų60.461%0.61228%0.28SS*.Hα-helixtrans-60.2-46.9175.2-175.3-176.8172.300110.9A220 I221 R222E218-A220 VanDerWaalsContact C-N 3.33Å; E218-A220 PolarHBondContact O-N 3.42Å; E218-I221 PolarHBondContact O-N 2.59Å; E218-R222 VanDerWaalsContact O-CB 3.25Å; E218-R222 WeakPolarHBondContact O-CB 3.33Å; E218-R222 PolarHBondContact O-N 3.27Å
219Y97.5Very high96.5Very high13 Ų1359.7 Ų59.75%0.05128%0.277CS..Hα-helixtrans-54.8-48.2174.4173.6-99.9000111.9L168 V179 S215 T223 Q253 P256L168-Y219 HydrophobicContact CB-CE1 4.49Å; L168-Y219 PolarHBondContact O-OH 2.87Å; V179-Y219 HydrophobicContact CG1-CD1 4.01Å; V179-Y219 HydrophobicContact CG1-CE1 4.24Å; S215-Y219 WeakPolarHBondContact O-CB 3.13Å; S215-Y219 PolarHBondContact O-N 3.31Å; Y219-T223 WeakPolarHBondContact O-CB 3.42Å; Y219-T223 PolarHBondContact O-N 2.85Å; Y219-T223 PolarHBondContact O-OG1 3.46Å; Y219-Q253 HydrophobicContact CE2-CB 4.27Å; Y219-Q253 WeakPolarHBondContact CE2-O 3.49Å; Y219-P256 HydrophobicContact CD1-CG 4.4Å; Y219-P256 HydrophobicContact CG-CG 4.25Å
220A97.9Very high96.7Very high0 Ų057.5 Ų57.50%026%0.263CS..Hα-helixtrans-64.1-45.3-179.200000112.1V179 W182 V183 H216 L217 E218 G224V179-A220 HydrophobicContact CG1-CB 4.12Å; W182-A220 HydrophobicContact CB-CB 3.76Å; V183-A220 HydrophobicContact CG2-CB 4.09Å; V183-A220 WeakPolarHBondContact CG2-O 3.25Å; H216-A220 VanDerWaalsContact O-CB 3.28Å; H216-A220 WeakPolarHBondContact O-CB 3.44Å; H216-A220 PolarHBondContact O-N 3.46Å; L217-A220 PolarHBondContact O-N 3.44Å; E218-A220 VanDerWaalsContact C-N 3.33Å; E218-A220 PolarHBondContact O-N 3.42Å; A220-G224 PolarHBondContact O-N 3.02Å
221I97.9Very high96.9Very high65 Ų6552.1 Ų52.133%0.33324%0.238SC..Hα-helixtrans-64.6-49.2179.3-69.8170.5000110.5I186 L217 E218 G224 R225I186-I221 HydrophobicContact CD1-CB 4.42Å; I186-I221 HydrophobicContact CD1-CG1 4.25Å; L217-I221 HydrophobicContact CD1-CD1 3.66Å; L217-I221 HydrophobicContact CD1-CG1 3.98Å; L217-I221 HydrophobicContact CG-CD1 3.86Å; L217-I221 WeakPolarHBondContact O-CB 3.3Å; L217-I221 WeakPolarHBondContact O-CG1 3.17Å; L217-I221 PolarHBondContact O-N 2.57Å; E218-I221 PolarHBondContact O-N 2.59Å; I221-G224 PolarHBondContact O-N 3.45Å; I221-R225 WeakPolarHBondContact O-CB 3.49Å; I221-R225 VanDerWaalsContact O-CG 3.29Å; I221-R225 WeakPolarHBondContact O-CG 3.17Å; I221-R225 PolarHBondContact O-N 2.77Å
222R97.9Very high97.2Very high99 Ų9951.1 Ų51.137%0.37423%0.232SC..Hα-helixtrans-63.1-47.5-178.6-170.8168.7158-153.1-19.6110.7E218 R225 E226 Q253E218-R222 VanDerWaalsContact O-CB 3.25Å; E218-R222 WeakPolarHBondContact O-CB 3.33Å; E218-R222 PolarHBondContact O-N 3.27Å; R222-R225 PolarHBondContact O-N 3.11Å; R222-E226 HydrophobicContact CG-CG 4.22Å; R222-E226 WeakPolarHBondContact CG-OE2 3.44Å; R222-E226 IonicContact CZ-OE2 3.44Å; R222-E226 IonicContact NE-OE1 3.43Å; R222-E226 IonicContact NE-OE2 2.78Å; R222-E226 PolarHBondContact NE-OE2 2.83Å; R222-E226 VanDerWaalsContact O-CB 3.25Å; R222-E226 WeakPolarHBondContact O-CB 3.33Å; R222-E226 WeakPolarHBondContact O-CG 3.21Å; R222-E226 PolarHBondContact O-N 2.67Å; R222-Q253 VanDerWaalsContact NH2-NE2 3.2Å
223T98.3Very high97.3Very high0 Ų050.5 Ų50.50%023%0.229CC..Hα-helixtrans-61.8-46.3176.1-58.50000111.7L168 V183 Y219 R225 A227 I252L168-T223 HydrophobicContact CD2-CG2 3.72Å; V183-T223 HydrophobicContact CG1-CG2 4.09Å; V183-T223 HydrophobicContact CG2-CG2 4.24Å; Y219-T223 WeakPolarHBondContact O-CB 3.42Å; Y219-T223 PolarHBondContact O-N 2.85Å; Y219-T223 PolarHBondContact O-OG1 3.46Å; T223-R225 VanDerWaalsContact C-N 3.25Å; T223-R225 PolarHBondContact O-N 3.39Å; T223-A227 HydrophobicContact CG2-CB 4.01Å; T223-A227 WeakPolarHBondContact O-CB 3.4Å; T223-A227 PolarHBondContact O-N 2.85Å; T223-I252 HydrophobicContact CG2-CG1 4.21Å; T223-I252 HydrophobicContact CG2-CG2 4.24Å
224G98.3Very high97.4Very high5 Ų546.3 Ų46.35%0.05220%0.202CC..Hα-helixtrans-59.3-34.9178.400000113.5I186 Q187 A220 I221I186-G224 VanDerWaalsContact CG2-C 3.44Å; I186-G224 WeakPolarHBondContact CG2-O 3.26Å; Q187-G224 VanDerWaalsContact CG-O 3.24Å; Q187-G224 WeakPolarHBondContact CG-O 3.34Å; A220-G224 PolarHBondContact O-N 3.02Å; I221-G224 PolarHBondContact O-N 3.45Å
225R98.1Very high97.6Very high197 Ų19738.5 Ų38.574%0.74317%0.172SC*.Hα-helixtrans-86.9-40.1-178.3-69.4178.667.4156.21113.9I186 I221 R222 T223I186-R225 HydrophobicContact CG2-CG 3.94Å; I221-R225 WeakPolarHBondContact O-CB 3.49Å; I221-R225 VanDerWaalsContact O-CG 3.29Å; I221-R225 WeakPolarHBondContact O-CG 3.17Å; I221-R225 PolarHBondContact O-N 2.77Å; R222-R225 PolarHBondContact O-N 3.11Å; T223-R225 VanDerWaalsContact C-N 3.25Å; T223-R225 PolarHBondContact O-N 3.39Å
226E98.2Very high97.8Very high95 Ų9538.4 Ų38.444%0.44417%0.168SC..Hα-helixtrans-102-26.5-167.3-60.7179.717900113.1R222 N251R222-E226 HydrophobicContact CG-CG 4.22Å; R222-E226 WeakPolarHBondContact CG-OE2 3.44Å; R222-E226 IonicContact CZ-OE2 3.44Å; R222-E226 IonicContact NE-OE1 3.43Å; R222-E226 IonicContact NE-OE2 2.78Å; R222-E226 PolarHBondContact NE-OE2 2.83Å; R222-E226 VanDerWaalsContact O-CB 3.25Å; R222-E226 WeakPolarHBondContact O-CB 3.33Å; R222-E226 WeakPolarHBondContact O-CG 3.21Å; R222-E226 PolarHBondContact O-N 2.67Å; E226-N251 PolarHBondContact O-ND2 2.82Å
227A98.2Very high97.9Very high8 Ų842.5 Ų42.57%0.06619%0.188CC..SBendtrans-67.5154.9178.600000111T223 L250 I252T223-A227 HydrophobicContact CG2-CB 4.01Å; T223-A227 WeakPolarHBondContact O-CB 3.4Å; T223-A227 PolarHBondContact O-N 2.85Å; A227-L250 CarbonylContact C-O 3.59Å; A227-L250 VanDerWaalsContact CA-O 3.27Å; A227-L250 WeakPolarHBondContact CA-O 3.45Å; A227-L250 WeakPolarHBondContact CB-O 3.26Å; A227-I252 HydrophobicContact CB-CD1 4.44Å; A227-I252 HydrophobicContact CB-CG1 3.64Å
228R97.9Very high98Very high72 Ų7242 Ų4227%0.27218%0.184SC..  trans-54.1144.7169-178168.5168.1-174.8-8.4109.8H90 D92 Q187 L230 C232 V233 L250H90-R228 PolarHBondContact CE1-NH2 2.99Å; D92-R228 IonicContact OD2-CZ 3.5Å; D92-R228 IonicContact OD2-NH1 3.46Å; D92-R228 IonicContact OD2-NH2 3.71Å; D92-R228 PolarHBondContact OD2-NH2 3.23Å; Q187-R228 PolarHBondContact NE2-O 2.77Å; Q187-R228 VanDerWaalsContact NE2-O 3.13Å; R228-L230 PolarHBondContact O-N 3.16Å; R228-C232 PolarHBondContact NH2-O 2.89Å; R228-V233 HydrophobicContact CG-CG2 4.28Å; R228-L250 HydrophobicContact CB-CB 4.44Å; R228-L250 HydrophobicContact CB-CD2 4.05Å; R228-L250 HydrophobicContact CG-CD2 4.33Å; R228-L250 PolarHBondContact N-O 3.01Å
229F98.5Very high98.1Very high8 Ų837.3 Ų37.34%0.03516%0.16CC..  trans-63.3112.5178.3-172.9-135.5000110.1I83 R86 M87 Q187 T188 M231 C232I83-F229 HydrophobicContact CB-CZ 4.28Å; I83-F229 HydrophobicContact CG1-CZ 4.12Å; I83-F229 HydrophobicContact CG2-CE1 4.13Å; I83-F229 HydrophobicContact CG2-CZ 3.85Å; R86-F229 HydrophobicContact CB-CD1 4.32Å; R86-F229 HydrophobicContact CB-CE1 3.93Å; R86-F229 VanDerWaalsContact CD-CD1 3.44Å; R86-F229 HydrophobicContact CG-CD1 3.67Å; R86-F229 HydrophobicContact CG-CE1 3.79Å; R86-F229 HydrophobicContact CG-CG 4.42Å; R86-F229 VanDerWaalsContact NH1-CD2 3.33Å; M87-F229 HydrophobicContact CG-CE1 4.36Å; Q187-F229 HydrophobicContact CB-CD2 3.89Å; Q187-F229 HydrophobicContact CB-CE2 3.9Å; Q187-F229 HydrophobicContact CG-CD2 4.37Å; Q187-F229 WeakPolarHBondContact O-CE2 3.43Å; T188-F229 HydrophobicContact CG2-CE2 4.44Å; F229-M231 HydrophobicContact CD1-CB 4.06Å; F229-M231 HydrophobicContact CE1-CB 3.59Å; F229-M231 HydrophobicContact CE1-CG 4.19Å; F229-M231 HydrophobicContact CE2-CB 4.27Å; F229-M231 HydrophobicContact CE2-CG 4.14Å; F229-M231 HydrophobicContact CZ-CB 3.71Å; F229-M231 HydrophobicContact CZ-CG 3.77Å; F229-M231 PolarHBondContact O-N 3.07Å; F229-C232 HydrophobicContact CD1-CB 4.32Å; F229-C232 VanDerWaalsContact CD1-SG 3.58Å; F229-C232 WeakPolarHBondContact O-CA 3.44Å; F229-C232 WeakPolarHBondContact O-CB 3.41Å; F229-C232 PolarHBondContact O-N 3.44Å
230L98.6Very high98.1Very high6 Ų644 Ų443%0.03119%0.192CC..G310 helixtrans-65.4-28.5-168.1-63.7-180000112.7I160 V164 L167 V183 R228 C232 V233 L250 I252I160-L230 HydrophobicContact CD1-CB 4.49Å; V164-L230 HydrophobicContact CG1-CD1 3.91Å; V164-L230 HydrophobicContact CG2-CD1 3.84Å; L167-L230 HydrophobicContact CD2-CD2 3.8Å; V183-L230 HydrophobicContact CG1-CD1 4.32Å; R228-L230 PolarHBondContact O-N 3.16Å; L230-C232 PolarHBondContact O-N 3.39Å; L230-V233 HydrophobicContact CD2-CG2 4.31Å; L230-V233 WeakPolarHBondContact O-CB 3.43Å; L230-V233 PolarHBondContact O-N 2.9Å; L230-L250 HydrophobicContact CD2-CD1 4.49Å; L230-I252 HydrophobicContact CD2-CD1 4.19Å
231M98.5Very high98.2Very high2 Ų246.9 Ų46.91%0.0121%0.208CC..G310 helixtrans-65.3-18.1172.2-63.8-61.2-62.300113.2I83 M87 V153 R156 Y157 I160 T188 F229I83-M231 HydrophobicContact CG2-CB 4.11Å; I83-M231 HydrophobicContact CG2-CE 4.18Å; I83-M231 HydrophobicContact CG2-CG 3.91Å; M87-M231 WeakPolarHBondContact CE-O 3.42Å; M87-M231 HydrophobicContact CG-CB 4.35Å; M87-M231 HydrophobicContact SD-CB 4.19Å; M87-M231 HydrophobicContact SD-CE 4.33Å; V153-M231 HydrophobicContact CG1-CE 4.21Å; V153-M231 WeakPolarHBondContact O-CE 3.41Å; R156-M231 HydrophobicContact CB-CE 3.92Å; R156-M231 HydrophobicContact CG-CE 3.72Å; Y157-M231 HydrophobicContact CD2-SD 4.49Å; I160-M231 HydrophobicContact CD1-SD 3.57Å; I160-M231 VanDerWaalsContact CD1-SD 3.57Å; I160-M231 HydrophobicContact CG1-SD 4.39Å; T188-M231 HydrophobicContact CG2-CG 4.34Å; F229-M231 HydrophobicContact CD1-CB 4.06Å; F229-M231 HydrophobicContact CE1-CB 3.59Å; F229-M231 HydrophobicContact CE1-CG 4.19Å; F229-M231 HydrophobicContact CE2-CB 4.27Å; F229-M231 HydrophobicContact CE2-CG 4.14Å; F229-M231 HydrophobicContact CZ-CB 3.71Å; F229-M231 HydrophobicContact CZ-CG 3.77Å; F229-M231 PolarHBondContact O-N 3.07Å
232C98.4Very high98.2Very high1 Ų147.2 Ų47.21%0.00721%0.21CC..G310 helixtrans-100.813.2174.4-69.20000113H90 D92 R228 F229 L230H90-C232 HydrophobicContact CB-CB 4.17Å; H90-C232 VanDerWaalsContact CB-SG 3.56Å; D92-C232 WeakPolarHBondContact CB-O 3.47Å; R228-C232 PolarHBondContact NH2-O 2.89Å; F229-C232 HydrophobicContact CD1-CB 4.32Å; F229-C232 VanDerWaalsContact CD1-SG 3.58Å; F229-C232 WeakPolarHBondContact O-CA 3.44Å; F229-C232 WeakPolarHBondContact O-CB 3.41Å; F229-C232 PolarHBondContact O-N 3.44Å; L230-C232 PolarHBondContact O-N 3.39Å
233V98.3Very high98.2Very high0 Ų043.5 Ų43.50%020%0.197CC..  trans-95.2123.9173.6179.20000108.5R156 R228 L230 F235 F246 L250R156-V233 PolarHBondContact NH2-O 2.85Å; R228-V233 HydrophobicContact CG-CG2 4.28Å; L230-V233 HydrophobicContact CD2-CG2 4.31Å; L230-V233 WeakPolarHBondContact O-CB 3.43Å; L230-V233 PolarHBondContact O-N 2.9Å; V233-F235 VanDerWaalsContact C-N 3.28Å; V233-F235 HydrophobicContact CB-CD2 4.22Å; V233-F235 HydrophobicContact CB-CE2 3.85Å; V233-F235 HydrophobicContact CB-CZ 4.03Å; V233-F235 HydrophobicContact CG1-CD1 4.02Å; V233-F235 HydrophobicContact CG1-CD2 4.15Å; V233-F235 HydrophobicContact CG1-CE1 3.95Å; V233-F235 HydrophobicContact CG1-CE2 4.06Å; V233-F235 HydrophobicContact CG1-CG 4.14Å; V233-F235 HydrophobicContact CG1-CZ 3.97Å; V233-F235 WeakPolarHBondContact O-CD2 3.49Å; V233-F235 PolarHBondContact O-N 3.47Å; V233-F235 VanDerWaalsContact O-N 3.11Å; V233-F246 HydrophobicContact CG1-CE2 4.07Å; V233-F246 HydrophobicContact CG1-CZ 3.69Å; V233-L250 HydrophobicContact CG1-CD1 4.21Å; V233-L250 HydrophobicContact CG1-CD2 4.24Å; V233-L250 HydrophobicContact CG2-CD1 4.18Å; V233-L250 HydrophobicContact CG2-CD2 3.61Å
234Y97.9Very high98.2Very high14 Ų1447.4 Ų47.46%0.05522%0.216CC..  trans-87.570.5180-150.8-47.5000109R95 I96 D99 L101 E236 E237 H238R95-Y234 HydrophobicContact CB-CD2 4.16Å; R95-Y234 HydrophobicContact CB-CE2 3.86Å; I96-Y234 HydrophobicContact CD1-CD2 4.39Å; I96-Y234 HydrophobicContact CD1-CG 4.41Å; I96-Y234 HydrophobicContact CG1-CD2 3.64Å; I96-Y234 HydrophobicContact CG1-CE2 4.02Å; I96-Y234 HydrophobicContact CG1-CG 3.98Å; D99-Y234 PolarHBondContact OD2-OH 3.35Å; L101-Y234 HydrophobicContact CD1-CE1 3.54Å; L101-Y234 WeakPolarHBondContact CD1-OH 3.47Å; L101-Y234 HydrophobicContact CG-CE1 4.49Å; Y234-E236 HydrophobicContact CD1-CB 4.08Å; Y234-E236 HydrophobicContact CE1-CB 4.02Å; Y234-E236 PolarHBondContact O-N 2.99Å; Y234-E237 HydrophobicContact CD1-CG 3.81Å; Y234-E237 HydrophobicContact CE1-CG 4.23Å; Y234-E237 HydrophobicContact CG-CG 4.13Å; Y234-E237 PolarHBondContact O-N 3.5Å; Y234-H238 PolarHBondContact O-CD2 2.98Å
235F98.2Very high98.2Very high0 Ų052.4 Ų52.40%024%0.241CC..G310 helixtrans-50.2-33.5-172.2-73.1-79.2000114.7F121 I160 L163 L167 V233 E237 H238 F246F121-F235 HydrophobicContact CE1-CB 4.45Å; F121-F235 AromaticContact CE1-CD1 3.74Å; F121-F235 HydrophobicContact CE1-CD1 3.74Å; F121-F235 AromaticContact CZ-CD1 3.59Å; F121-F235 HydrophobicContact CZ-CD1 3.59Å; F121-F235 HydrophobicContact CZ-CE1 4.01Å; I160-F235 HydrophobicContact CB-CD2 4.3Å; I160-F235 HydrophobicContact CB-CE2 4.03Å; I160-F235 HydrophobicContact CD1-CE2 4.04Å; I160-F235 HydrophobicContact CG2-CD2 3.8Å; I160-F235 HydrophobicContact CG2-CE2 3.96Å; L163-F235 HydrophobicContact CB-CD1 4.29Å; L163-F235 HydrophobicContact CB-CE1 4.28Å; L163-F235 HydrophobicContact CD1-CB 3.7Å; L163-F235 HydrophobicContact CD1-CD1 4.1Å; L163-F235 HydrophobicContact CD1-CD2 4.11Å; L163-F235 HydrophobicContact CD1-CG 3.72Å; L167-F235 HydrophobicContact CD2-CE1 4.04Å; L167-F235 HydrophobicContact CD2-CZ 4.33Å; V233-F235 VanDerWaalsContact C-N 3.28Å; V233-F235 HydrophobicContact CB-CD2 4.22Å; V233-F235 HydrophobicContact CB-CE2 3.85Å; V233-F235 HydrophobicContact CB-CZ 4.03Å; V233-F235 HydrophobicContact CG1-CD1 4.02Å; V233-F235 HydrophobicContact CG1-CD2 4.15Å; V233-F235 HydrophobicContact CG1-CE1 3.95Å; V233-F235 HydrophobicContact CG1-CE2 4.06Å; V233-F235 HydrophobicContact CG1-CG 4.14Å; V233-F235 HydrophobicContact CG1-CZ 3.97Å; V233-F235 WeakPolarHBondContact O-CD2 3.49Å; V233-F235 PolarHBondContact O-N 3.47Å; V233-F235 VanDerWaalsContact O-N 3.11Å; F235-E237 PolarHBondContact O-N 3.31Å; F235-H238 PolarHBondContact O-N 3.45Å; F235-F246 HydrophobicContact CD1-CE1 4.09Å; F235-F246 HydrophobicContact CD1-CZ 4.02Å; F235-F246 HydrophobicContact CE1-CE1 4.18Å; F235-F246 HydrophobicContact CE1-CZ 4.17Å
236E97.3Very high98.2Very high31 Ų3143 Ų4315%0.14521%0.206CC..G310 helixtrans-63-20179.6-61.887.2157.900113.6L101 I103 R156 Y234 W239L101-E236 HydrophobicContact CD1-CB 4.34Å; L101-E236 HydrophobicContact CD1-CG 4.2Å; I103-E236 WeakPolarHBondContact CG1-OE1 3.44Å; R156-E236 IonicContact CZ-OE1 3.77Å; R156-E236 IonicContact CZ-OE2 3.8Å; R156-E236 IonicContact NH1-OE1 2.7Å; R156-E236 PolarHBondContact NH1-OE1 3.4Å; R156-E236 IonicContact NH1-OE2 3.85Å; R156-E236 IonicContact NH2-OE1 3.71Å; R156-E236 PolarHBondContact NH2-OE1 3.23Å; R156-E236 IonicContact NH2-OE2 2.78Å; R156-E236 PolarHBondContact NH2-OE2 2.88Å; Y234-E236 HydrophobicContact CD1-CB 4.08Å; Y234-E236 HydrophobicContact CE1-CB 4.02Å; Y234-E236 PolarHBondContact O-N 2.99Å; E236-W239 HydrophobicContact CG-CZ2 4.43Å; E236-W239 PolarHBondContact O-NE1 3.21Å
237E97.3Very high98.2Very high98 Ų9839.1 Ų39.146%0.45819%0.187SC..G310 helixtrans-90.3-4.8175.4-62.9-177.2156.300112.6R95 Y234 F235R95-E237 IonicContact CZ-OE1 3.63Å; R95-E237 IonicContact CZ-OE2 2.75Å; R95-E237 IonicContact NH1-OE1 3.14Å; R95-E237 PolarHBondContact NH1-OE1 2.84Å; R95-E237 IonicContact NH1-OE2 2.76Å; R95-E237 PolarHBondContact NH1-OE2 2.81Å; R95-E237 IonicContact NH2-OE1 3.4Å; R95-E237 IonicContact NH2-OE2 3.13Å; R95-E237 PolarHBondContact NH2-OE2 2.86Å; Y234-E237 HydrophobicContact CD1-CG 3.81Å; Y234-E237 HydrophobicContact CE1-CG 4.23Å; Y234-E237 HydrophobicContact CG-CG 4.13Å; Y234-E237 PolarHBondContact O-N 3.5Å; F235-E237 PolarHBondContact O-N 3.31Å
238H98.1Very high98.2Very high36 Ų3642.7 Ų42.717%0.16721%0.212CC..  trans-116.415.1-169.5-66.6-71000114Y234 F235 E240 D241 F246Y234-H238 PolarHBondContact O-CD2 2.98Å; F235-H238 PolarHBondContact O-N 3.45Å; H238-E240 VanDerWaalsContact C-N 3.32Å; H238-E240 PolarHBondContact O-N 3.03Å; H238-D241 IonicContact CE1-OD2 3.42Å; H238-D241 IonicContact CG-OD2 2.68Å; H238-D241 IonicContact ND1-OD2 3.68Å; H238-D241 PolarHBondContact ND1-OD2 2.98Å; H238-D241 PolarHBondContact O-N 3.49Å; H238-F246 HydrophobicContact CB-CD1 4.46Å; H238-F246 HydrophobicContact CB-CD2 4.23Å; H238-F246 HydrophobicContact CB-CE1 4.03Å; H238-F246 HydrophobicContact CB-CE2 3.78Å; H238-F246 HydrophobicContact CB-CZ 3.66Å; H238-F246 AromaticContact CD2-CE2 3.53Å; H238-F246 AromaticContact CD2-CZ 3.76Å; H238-F246 AromaticContact CE1-CE2 3.91Å; H238-F246 AromaticContact CG-CD2 3.98Å; H238-F246 AromaticContact CG-CE2 3.38Å; H238-F246 AromaticContact CG-CZ 3.69Å; H238-F246 AromaticContact ND1-CD2 3.89Å; H238-F246 AromaticContact ND1-CE2 3.63Å; H238-F246 AromaticContact NE2-CE2 3.85Å
239W98.5Very high98.2Very high33 Ų3343 Ų4313%0.12523%0.225CC..SBendtrans-61.2-39.3-177.6-63129.6000113.6V108 L113 L116 F121 G122 Y125 L163 E236V108-W239 HydrophobicContact CG1-CZ2 4.02Å; V108-W239 HydrophobicContact CG2-CZ2 4.26Å; L113-W239 HydrophobicContact CD1-CD2 4.05Å; L113-W239 HydrophobicContact CD1-CE3 3.89Å; L113-W239 HydrophobicContact CD1-CH2 4.39Å; L113-W239 HydrophobicContact CD1-CZ3 4.06Å; L113-W239 HydrophobicContact CD2-CB 3.68Å; L113-W239 HydrophobicContact CD2-CD2 3.83Å; L113-W239 HydrophobicContact CD2-CE3 4.21Å; L113-W239 HydrophobicContact CD2-CG 3.59Å; L116-W239 HydrophobicContact CD1-CB 4.24Å; L116-W239 WeakPolarHBondContact CD1-O 3.26Å; F121-W239 AromaticContact CD1-CE3 3.84Å; F121-W239 HydrophobicContact CD1-CE3 3.84Å; F121-W239 HydrophobicContact CD1-CZ3 4.06Å; F121-W239 AromaticContact CE1-CE3 3.85Å; F121-W239 HydrophobicContact CE1-CE3 3.85Å; F121-W239 AromaticContact CE1-CZ3 3.6Å; F121-W239 HydrophobicContact CE1-CZ3 3.6Å; F121-W239 HydrophobicContact CZ-CZ3 4.43Å; G122-W239 WeakPolarHBondContact CA-O 3.49Å; G122-W239 PolarHBondContact N-O 3.02Å; Y125-W239 HydrophobicContact CD1-CH2 4.01Å; Y125-W239 AromaticContact CD1-CZ3 3.72Å; Y125-W239 HydrophobicContact CD1-CZ3 3.72Å; Y125-W239 HydrophobicContact CE1-CH2 4.17Å; Y125-W239 HydrophobicContact CE1-CZ3 4.34Å; Y125-W239 HydrophobicContact CG-CZ3 4.3Å; L163-W239 HydrophobicContact CD1-CH2 4.19Å; L163-W239 HydrophobicContact CD2-CH2 3.64Å; L163-W239 HydrophobicContact CD2-CZ3 3.54Å; E236-W239 HydrophobicContact CG-CZ2 4.43Å; E236-W239 PolarHBondContact O-NE1 3.21Å
240E98.6Very high98.1Very high153 Ų15342.7 Ų42.772%0.71522%0.223SC*.SBendtrans-86.7-11-176.3-60.8-175.5-171.800113.3L116 T120 H238L116-E240 HydrophobicContact CD2-CG 3.91Å; T120-E240 VanDerWaalsContact CG2-O 3.3Å; T120-E240 WeakPolarHBondContact CG2-O 3.45Å; H238-E240 VanDerWaalsContact C-N 3.32Å; H238-E240 PolarHBondContact O-N 3.03Å
241D98.5Very high98.1Very high62 Ų6246.4 Ų46.433%0.33224%0.243SC..SBendtrans-65.3143-179.1-72.82.5000111.1T120 F121 H238 L243 F246T120-D241 CarbonylContact C-O 3.59Å; T120-D241 WeakPolarHBondContact CA-O 3.2Å; F121-D241 PolarHBondContact N-O 2.83Å; H238-D241 IonicContact CE1-OD2 3.42Å; H238-D241 IonicContact CG-OD2 2.68Å; H238-D241 IonicContact ND1-OD2 3.68Å; H238-D241 PolarHBondContact ND1-OD2 2.98Å; H238-D241 PolarHBondContact O-N 3.49Å; D241-L243 PolarHBondContact O-N 3.33Å; D241-F246 HydrophobicContact CB-CB 4.27Å
242N98.5Very high98.1Very high72 Ų7246.6 Ų46.639%0.38524%0.244SC..BIsolated β-bridgetrans-60.2131.5168.4-179.7-68.9000109.7E244 D245 F246N242-E244 VanDerWaalsContact C-N 3.35Å; N242-E244 PolarHBondContact O-N 2.64Å; N242-E244 PolarHBondContact OD1-N 2.94Å; N242-D245 HydrophobicContact CB-CB 4.06Å; N242-D245 WeakPolarHBondContact CB-OD2 3.35Å; N242-D245 PolarHBondContact O-N 3.41Å; N242-D245 PolarHBondContact OD1-N 2.76Å; N242-F246 VanDerWaalsContact O-CB 3.31Å; N242-F246 WeakPolarHBondContact O-CB 3.39Å; N242-F246 PolarHBondContact O-N 3.37Å
243L98.1Very high97.8Very high20 Ų2049.2 Ų49.211%0.10526%0.256CS..Hα-helixtrans-60.7-39.5-174.5177.960000113.3G119 F121 A124 D241 R247G119-L243 VanDerWaalsContact O-CB 3.32Å; G119-L243 WeakPolarHBondContact O-CB 3.28Å; G119-L243 PolarHBondContact O-N 3.16Å; F121-L243 HydrophobicContact CB-CD1 4.41Å; F121-L243 HydrophobicContact CD2-CD1 3.82Å; A124-L243 HydrophobicContact CB-CD2 3.91Å; D241-L243 PolarHBondContact O-N 3.33Å; L243-R247 WeakPolarHBondContact O-CG 3.32Å; L243-R247 PolarHBondContact O-N 3.15Å
244E97.5Very high97.4Very high82 Ų8253.4 Ų53.438%0.38329%0.286SS..Hα-helixtrans-75.5-36.8-179.6-57.1-53.815100111.4N242 F246 R247 S248N242-E244 VanDerWaalsContact C-N 3.35Å; N242-E244 PolarHBondContact O-N 2.64Å; N242-E244 PolarHBondContact OD1-N 2.94Å; E244-F246 VanDerWaalsContact C-N 3.33Å; E244-R247 PolarHBondContact O-N 2.82Å; E244-R247 IonicContact OE1-CZ 3.86Å; E244-R247 IonicContact OE1-NH1 2.96Å; E244-R247 PolarHBondContact OE1-NH1 2.88Å; E244-R247 IonicContact OE2-CZ 2.68Å; E244-R247 IonicContact OE2-NH1 3.96Å; E244-R247 PolarHBondContact OE2-NH1 2.9Å; E244-S248 WeakPolarHBondContact O-CB 3.5Å; E244-S248 PolarHBondContact O-N 3.35Å; E244-S248 PolarHBondContact O-OG 3.4Å
245D98.1Very high97Very high110 Ų11054.6 Ų54.659%0.58830%0.295SS*.Hα-helixtrans-65.4-40.2172.6-63.6-26.5000110.6N242 S248 S249N242-D245 HydrophobicContact CB-CB 4.06Å; N242-D245 WeakPolarHBondContact CB-OD2 3.35Å; N242-D245 PolarHBondContact O-N 3.41Å; N242-D245 PolarHBondContact OD1-N 2.76Å; D245-S248 WeakPolarHBondContact O-CB 3.27Å; D245-S248 PolarHBondContact O-N 3.35Å; D245-S249 WeakPolarHBondContact O-CB 3.43Å; D245-S249 PolarHBondContact O-N 3.39Å
246F98.3Very high96.5Very high1 Ų155.5 Ų55.50%0.00430%0.301CS..Hα-helixtrans-63.3-48.2176.3-175.4-143.1000111.1F121 L167 V233 F235 H238 D241 N242 E244 S248 S249 L250F121-F246 HydrophobicContact CB-CD1 4.06Å; F121-F246 HydrophobicContact CD1-CD1 4.19Å; F121-F246 AromaticContact CD1-CE1 3.87Å; F121-F246 HydrophobicContact CD1-CE1 3.87Å; F121-F246 AromaticContact CD2-CD1 3.96Å; F121-F246 HydrophobicContact CD2-CD1 3.96Å; F121-F246 HydrophobicContact CD2-CE1 4.04Å; F121-F246 AromaticContact CE1-CE1 3.96Å; F121-F246 HydrophobicContact CE1-CE1 3.96Å; F121-F246 HydrophobicContact CE2-CD1 4.45Å; F121-F246 HydrophobicContact CE2-CE1 4.13Å; F121-F246 AromaticContact CG-CD1 3.8Å; F121-F246 HydrophobicContact CG-CD1 3.8Å; F121-F246 AromaticContact CG-CE1 3.91Å; F121-F246 HydrophobicContact CG-CE1 3.91Å; F121-F246 HydrophobicContact CZ-CE1 4.07Å; L167-F246 HydrophobicContact CD1-CD1 3.71Å; L167-F246 HydrophobicContact CD1-CE1 3.89Å; L167-F246 HydrophobicContact CD1-CG 4.45Å; V233-F246 HydrophobicContact CG1-CE2 4.07Å; V233-F246 HydrophobicContact CG1-CZ 3.69Å; F235-F246 HydrophobicContact CD1-CE1 4.09Å; F235-F246 HydrophobicContact CD1-CZ 4.02Å; F235-F246 HydrophobicContact CE1-CE1 4.18Å; F235-F246 HydrophobicContact CE1-CZ 4.17Å; H238-F246 HydrophobicContact CB-CD1 4.46Å; H238-F246 HydrophobicContact CB-CD2 4.23Å; H238-F246 HydrophobicContact CB-CE1 4.03Å; H238-F246 HydrophobicContact CB-CE2 3.78Å; H238-F246 HydrophobicContact CB-CZ 3.66Å; H238-F246 AromaticContact CD2-CE2 3.53Å; H238-F246 AromaticContact CD2-CZ 3.76Å; H238-F246 AromaticContact CE1-CE2 3.91Å; H238-F246 AromaticContact CG-CD2 3.98Å; H238-F246 AromaticContact CG-CE2 3.38Å; H238-F246 AromaticContact CG-CZ 3.69Å; H238-F246 AromaticContact ND1-CD2 3.89Å; H238-F246 AromaticContact ND1-CE2 3.63Å; H238-F246 AromaticContact NE2-CE2 3.85Å; D241-F246 HydrophobicContact CB-CB 4.27Å; N242-F246 VanDerWaalsContact O-CB 3.31Å; N242-F246 WeakPolarHBondContact O-CB 3.39Å; N242-F246 PolarHBondContact O-N 3.37Å; E244-F246 VanDerWaalsContact C-N 3.33Å; F246-S248 VanDerWaalsContact C-N 3.3Å; F246-S248 PolarHBondContact O-N 2.86Å; F246-S249 PolarHBondContact O-N 2.95Å; F246-S249 PolarHBondContact O-OG 3.25Å; F246-L250 HydrophobicContact CD2-CD1 4.08Å; F246-L250 HydrophobicContact CD2-CG 4.18Å; F246-L250 HydrophobicContact CE1-CD1 4.23Å; F246-L250 HydrophobicContact CE2-CD1 3.62Å; F246-L250 HydrophobicContact CE2-CD2 4.22Å; F246-L250 HydrophobicContact CE2-CG 3.96Å; F246-L250 HydrophobicContact CZ-CD1 3.72Å; F246-L250 WeakPolarHBondContact O-CG 3.34Å; F246-L250 PolarHBondContact O-N 2.99Å; F246-L250 VanDerWaalsContact O-N 3.15Å
247R98.2Very high95.6Very high12 Ų1258.8 Ų58.85%0.04533%0.325CS..Hα-helixtrans-53.5-47.9171.5-78.7177.2-178.4140.38.5111.9T166 L167 L243 E244 S249 L250 N251 I252T166-R247 PolarHBondContact O-NH2 3.28Å; L167-R247 HydrophobicContact CD1-CG 3.9Å; L167-R247 PolarHBondContact O-NE 3.08Å; L167-R247 PolarHBondContact O-NH2 3.11Å; L243-R247 WeakPolarHBondContact O-CG 3.32Å; L243-R247 PolarHBondContact O-N 3.15Å; E244-R247 PolarHBondContact O-N 2.82Å; E244-R247 IonicContact OE1-CZ 3.86Å; E244-R247 IonicContact OE1-NH1 2.96Å; E244-R247 PolarHBondContact OE1-NH1 2.88Å; E244-R247 IonicContact OE2-CZ 2.68Å; E244-R247 IonicContact OE2-NH1 3.96Å; E244-R247 PolarHBondContact OE2-NH1 2.9Å; R247-S249 VanDerWaalsContact C-N 3.35Å; R247-S249 PolarHBondContact O-N 3.46Å; R247-L250 CarbonylContact O-C 3.57Å; R247-L250 PolarHBondContact O-N 3.35Å; R247-L250 VanDerWaalsContact O-N 3.1Å; R247-N251 PolarHBondContact O-N 3.31Å; R247-I252 CarbonylContact C-O 3.56Å; R247-I252 HydrophobicContact CB-CB 4.16Å; R247-I252 HydrophobicContact CB-CG2 4.44Å; R247-I252 HydrophobicContact CG-CB 4.37Å; R247-I252 HydrophobicContact CG-CG2 4.2Å; R247-I252 PolarHBondContact O-N 2.84Å
248S97.9Very high94.1Very high84 Ų8459.8 Ų59.859%0.58734%0.34SS*.Hα-helixtrans-60.8-43.5-179.9-59.50000111.7E244 D245 F246 L250 N251E244-S248 WeakPolarHBondContact O-CB 3.5Å; E244-S248 PolarHBondContact O-N 3.35Å; E244-S248 PolarHBondContact O-OG 3.4Å; D245-S248 WeakPolarHBondContact O-CB 3.27Å; D245-S248 PolarHBondContact O-N 3.35Å; F246-S248 VanDerWaalsContact C-N 3.3Å; F246-S248 PolarHBondContact O-N 2.86Å; S248-L250 PolarHBondContact O-N 3.33Å; S248-N251 PolarHBondContact O-N 3.48Å
249S97.9Very high92.5Very high78 Ų7862.5 Ų62.555%0.54535%0.349SS..Hα-helixtrans-64-23.917778.10000113.7D245 F246 R247D245-S249 WeakPolarHBondContact O-CB 3.43Å; D245-S249 PolarHBondContact O-N 3.39Å; F246-S249 PolarHBondContact O-N 2.95Å; F246-S249 PolarHBondContact O-OG 3.25Å; R247-S249 VanDerWaalsContact C-N 3.35Å; R247-S249 PolarHBondContact O-N 3.46Å
250L98.4Very high90.3Very high1 Ų169.6 Ų69.61%0.00538%0.381CS..THydrogen-bonded Turntrans-94.63.8176.4-61.1-177.9000113.2L167 A227 R228 L230 V233 F246 R247 S248 I252L167-L250 HydrophobicContact CD1-CD1 4.1Å; L167-L250 HydrophobicContact CD2-CD1 3.6Å; L167-L250 HydrophobicContact CG-CD1 4.45Å; A227-L250 CarbonylContact C-O 3.59Å; A227-L250 VanDerWaalsContact CA-O 3.27Å; A227-L250 WeakPolarHBondContact CA-O 3.45Å; A227-L250 WeakPolarHBondContact CB-O 3.26Å; R228-L250 HydrophobicContact CB-CB 4.44Å; R228-L250 HydrophobicContact CB-CD2 4.05Å; R228-L250 HydrophobicContact CG-CD2 4.33Å; R228-L250 PolarHBondContact N-O 3.01Å; L230-L250 HydrophobicContact CD2-CD1 4.49Å; V233-L250 HydrophobicContact CG1-CD1 4.21Å; V233-L250 HydrophobicContact CG1-CD2 4.24Å; V233-L250 HydrophobicContact CG2-CD1 4.18Å; V233-L250 HydrophobicContact CG2-CD2 3.61Å; F246-L250 HydrophobicContact CD2-CD1 4.08Å; F246-L250 HydrophobicContact CD2-CG 4.18Å; F246-L250 HydrophobicContact CE1-CD1 4.23Å; F246-L250 HydrophobicContact CE2-CD1 3.62Å; F246-L250 HydrophobicContact CE2-CD2 4.22Å; F246-L250 HydrophobicContact CE2-CG 3.96Å; F246-L250 HydrophobicContact CZ-CD1 3.72Å; F246-L250 WeakPolarHBondContact O-CG 3.34Å; F246-L250 PolarHBondContact O-N 2.99Å; F246-L250 VanDerWaalsContact O-N 3.15Å; R247-L250 CarbonylContact O-C 3.57Å; R247-L250 PolarHBondContact O-N 3.35Å; R247-L250 VanDerWaalsContact O-N 3.1Å; S248-L250 PolarHBondContact O-N 3.33Å; L250-I252 VanDerWaalsContact C-N 3.25Å; L250-I252 HydrophobicContact CB-CD1 3.8Å; L250-I252 HydrophobicContact CB-CG1 3.94Å; L250-I252 HydrophobicContact CD1-CD1 4.08Å; L250-I252 PolarHBondContact O-N 3.26Å
251N98.2Very high88.2Confident84 Ų8469.2 Ų69.245%0.44938%0.383SS..THydrogen-bonded Turntrans55.939.2-172.6-167.336.7000112.8E226 R247 S248E226-N251 PolarHBondContact O-ND2 2.82Å; R247-N251 PolarHBondContact O-N 3.31Å; S248-N251 PolarHBondContact O-N 3.48Å
252I98.1Very high85.6Confident6 Ų674.2 Ų74.23%0.03141%0.41CS..PPolyproline II helixtrans-101.6124.8174.4-61.6172.9000107.6L167 L168 T223 A227 L230 R247 L250L167-I252 HydrophobicContact CD1-CD1 4.19Å; L167-I252 HydrophobicContact CD2-CD1 3.37Å; L167-I252 HydrophobicContact CG-CD1 3.61Å; L168-I252 HydrophobicContact CD2-CD1 4.18Å; L168-I252 HydrophobicContact CD2-CG2 3.88Å; T223-I252 HydrophobicContact CG2-CG1 4.21Å; T223-I252 HydrophobicContact CG2-CG2 4.24Å; A227-I252 HydrophobicContact CB-CD1 4.44Å; A227-I252 HydrophobicContact CB-CG1 3.64Å; L230-I252 HydrophobicContact CD2-CD1 4.19Å; R247-I252 CarbonylContact C-O 3.56Å; R247-I252 HydrophobicContact CB-CB 4.16Å; R247-I252 HydrophobicContact CB-CG2 4.44Å; R247-I252 HydrophobicContact CG-CB 4.37Å; R247-I252 HydrophobicContact CG-CG2 4.2Å; R247-I252 PolarHBondContact O-N 2.84Å; L250-I252 VanDerWaalsContact C-N 3.25Å; L250-I252 HydrophobicContact CB-CD1 3.8Å; L250-I252 HydrophobicContact CB-CG1 3.94Å; L250-I252 HydrophobicContact CD1-CD1 4.08Å; L250-I252 PolarHBondContact O-N 3.26Å
253Q92Very high85Confident56 Ų5674.4 Ų74.426%0.26241%0.411SS..PPolyproline II helixtrans-71.1158.8175.4-75.4153.876.200111.5Y219 R222Y219-Q253 HydrophobicContact CE2-CB 4.27Å; Y219-Q253 WeakPolarHBondContact CE2-O 3.49Å; R222-Q253 VanDerWaalsContact NH2-NE2 3.2Å
254S90.3Very high84.3Confident88 Ų8877.2 Ų77.262%0.61543%0.427SS*.PPolyproline II helixtrans-52.4135.6167.3-56.40000110.2
255P89.2Confident83.5Confident39 Ų3976.9 Ų76.925%0.25343%0.429SS..PPolyproline II helixtrans-62147.8-178.325.3-34.1000111.1L168L168-P255 WeakPolarHBondContact O-CB 3.38Å
256P88.5Confident82.7Confident20 Ų2075 Ų7513%0.1342%0.42CS..PPolyproline II helixtrans-58.2151.4172.326-33.8000110.1Y219Y219-P256 HydrophobicContact CD1-CG 4.4Å; Y219-P256 HydrophobicContact CG-CG 4.25Å
257P77.5Confident81.7Confident99 Ų9979.6 Ų79.664%0.64345%0.446SS*.PPolyproline II helixtrans-57.5138.9-176.223.1-33.1000110.7
258P66.4Low80.6Confident119 Ų11984.1 Ų84.177%0.77347%0.473SS*.PPolyproline II helixtrans-61.8150.2177.824.6-32000110.7K260P258-K260 PolarHBondContact O-N 2.98Å
259R63.4Low79.4Confident94 Ų9484.1 Ų84.136%0.35547%0.465SS..  trans-43.6130.9174.7-164.9-160-67.6-160.63.6111.2D173 L261D173-R259 IonicContact OD2-CZ 2.77Å; D173-R259 IonicContact OD2-NE 3.55Å; D173-R259 IonicContact OD2-NH2 3.66Å; D173-R259 PolarHBondContact OD2-NH2 3.22Å; R259-L261 PolarHBondContact O-N 3.1Å
260K53.5Low77.9Confident181 Ų18184.6 Ų84.679%0.78746%0.458SS*.  trans-73.8106151.5-73.5-172.3179.6-178.10106.2P258 D262P258-K260 PolarHBondContact O-N 2.98Å; K260-D262 VanDerWaalsContact C-N 3.25Å; K260-D262 WeakPolarHBondContact CB-OD1 3.31Å; K260-D262 PolarHBondContact O-N 3.49Å
261L54.1Low76.2Confident145 Ų14591.6 Ų91.676%0.75950%0.496SS*.  trans-70.191.3168.9-73.6162.1000106.4R259R259-L261 PolarHBondContact O-N 3.1Å
262D43.9Very low74.2Confident168 Ų16892.3 Ų92.390%0.89850%0.501SS*.  trans-98.10157.823.1-79.3000109.8K207 K260K207-D262 PolarHBondContact NZ-O 3.34Å; K207-D262 IonicContact NZ-OD2 2.84Å; K207-D262 PolarHBondContact NZ-OD2 3.19Å; K260-D262 VanDerWaalsContact C-N 3.25Å; K260-D262 WeakPolarHBondContact CB-OD1 3.31Å; K260-D262 PolarHBondContact O-N 3.49Å

Retrieved 262 of 262 residues in 265.9 ms (Link to these results)

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