A0A087XSQ1_POEFO Loading...

Calmin

AlphaFold DB , UniProt , Accession A0A087XSQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,067 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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 low61.4Low221 Ų221124.4 Ų124.4100%1.08959%0.588SS**  0-40.90-78.1-171.1172.400113.8
2A51.2Low62.9Low72 Ų72125.6 Ų125.660%0.59558%0.583SS**  trans-76.9-52167.600000112.3H4 R5A2-H4 PolarHBondContact O-N 3.37Å; A2-R5 PolarHBondContact O-N 2.93Å; A2-R5 VanDerWaalsContact O-N 3.11Å
3G53.6Low64.5Low30 Ų30123.3 Ų123.331%0.30957%0.572SS.*THydrogen-bonded Turntrans-43.6-63.5-174.200000115.2R5 W6 E7G3-R5 PolarHBondContact O-N 2.63Å; G3-W6 WeakPolarHBondContact O-CA 3.41Å; G3-W6 WeakPolarHBondContact O-CB 3.44Å; G3-W6 PolarHBondContact O-N 3.08Å; G3-E7 VanDerWaalsContact CA-OE1 3.22Å; G3-E7 WeakPolarHBondContact CA-OE1 3.38Å; G3-E7 PolarHBondContact O-N 2.95Å; G3-E7 VanDerWaalsContact O-N 3.14Å; G3-E7 VanDerWaalsContact O-OE1 3.13Å
4H55.7Low65.7Low123 Ų123121.9 Ų121.957%0.56957%0.566SS**Hα-helixtrans-48.9-27.3-178.5-52.7-36.7000115.2A2 W6 E7 D8A2-H4 PolarHBondContact O-N 3.37Å; H4-W6 VanDerWaalsContact C-N 3.33Å; H4-W6 PolarHBondContact O-N 3.45Å; H4-E7 VanDerWaalsContact CA-OE2 3.25Å; H4-E7 WeakPolarHBondContact CA-OE2 3.27Å; H4-E7 IonicContact CE1-OE2 3.26Å; H4-E7 IonicContact CG-OE2 2.65Å; H4-E7 PolarHBondContact N-OE1 3.07Å; H4-E7 PolarHBondContact N-OE2 3Å; H4-E7 IonicContact ND1-OE2 2.66Å; H4-E7 PolarHBondContact ND1-OE2 3.3Å; H4-E7 PolarHBondContact O-N 2.94Å; H4-D8 WeakPolarHBondContact O-CB 3.37Å; H4-D8 PolarHBondContact O-N 2.86Å
5R51.2Low66.8Low166 Ų166121.9 Ų121.963%0.62656%0.564SS**Hα-helixtrans-79.9-12.1177.4-121.6179.1-179.2-90.41.5115A2 G3A2-R5 PolarHBondContact O-N 2.93Å; A2-R5 VanDerWaalsContact O-N 3.11Å; G3-R5 PolarHBondContact O-N 2.63Å
6W52.2Low67.8Low181 Ų181119 Ų11969%0.68655%0.553SS**Hα-helixtrans-94.4-36.3168.4-61.292.2000110.7G3 H4 W9 F10G3-W6 WeakPolarHBondContact O-CA 3.41Å; G3-W6 WeakPolarHBondContact O-CB 3.44Å; G3-W6 PolarHBondContact O-N 3.08Å; H4-W6 VanDerWaalsContact C-N 3.33Å; H4-W6 PolarHBondContact O-N 3.45Å; W6-W9 PolarHBondContact O-N 3.11Å; W6-F10 WeakPolarHBondContact O-CB 3.5Å; W6-F10 PolarHBondContact O-N 3.26Å
7E63.6Low68.5Low91 Ų91113.5 Ų113.543%0.42554%0.536SS..Hα-helixtrans-60.6-55.1170.8-65.3133.9-135.300109.8G3 H4 W9 F10 E11G3-E7 VanDerWaalsContact CA-OE1 3.22Å; G3-E7 WeakPolarHBondContact CA-OE1 3.38Å; G3-E7 PolarHBondContact O-N 2.95Å; G3-E7 VanDerWaalsContact O-N 3.14Å; G3-E7 VanDerWaalsContact O-OE1 3.13Å; H4-E7 VanDerWaalsContact CA-OE2 3.25Å; H4-E7 WeakPolarHBondContact CA-OE2 3.27Å; H4-E7 IonicContact CE1-OE2 3.26Å; H4-E7 IonicContact CG-OE2 2.65Å; H4-E7 PolarHBondContact N-OE1 3.07Å; H4-E7 PolarHBondContact N-OE2 3Å; H4-E7 IonicContact ND1-OE2 2.66Å; H4-E7 PolarHBondContact ND1-OE2 3.3Å; H4-E7 PolarHBondContact O-N 2.94Å; E7-W9 PolarHBondContact O-N 3.03Å; E7-F10 PolarHBondContact O-N 2.85Å; E7-F10 VanDerWaalsContact O-N 3.13Å; E7-E11 WeakPolarHBondContact O-CG 3.46Å; E7-E11 PolarHBondContact O-N 3.28Å
8D73.3Confident69.4Low87 Ų87112.2 Ų112.247%0.46553%0.529SS..Hα-helixtrans-52.7-23.1170.9-72.7-7.5000114.2H4 R12H4-D8 WeakPolarHBondContact O-CB 3.37Å; H4-D8 PolarHBondContact O-N 2.86Å; D8-R12 PolarHBondContact O-NH1 2.79Å; D8-R12 PolarHBondContact O-NH2 2.8Å
9W73.7Confident70Confident130 Ų130110.8 Ų110.849%0.49253%0.525SS..Hα-helixtrans-91.2-43.1-179.3178.581.3000111.2W6 E7 R12 E13W6-W9 PolarHBondContact O-N 3.11Å; E7-W9 PolarHBondContact O-N 3.03Å; W9-R12 PolarHBondContact O-N 2.68Å; W9-E13 HydrophobicContact CZ2-CG 4.46Å; W9-E13 PolarHBondContact O-N 3.29Å
10F75Confident70.5Confident136 Ų136108.1 Ų108.160%0.59652%0.518SS*.Hα-helixtrans-65.5-44.6177.3-163.1-86.8000111.1W6 E7 R12 E13 E14W6-F10 WeakPolarHBondContact O-CB 3.5Å; W6-F10 PolarHBondContact O-N 3.26Å; E7-F10 PolarHBondContact O-N 2.85Å; E7-F10 VanDerWaalsContact O-N 3.13Å; F10-R12 PolarHBondContact O-N 2.73Å; F10-E13 PolarHBondContact O-N 2.81Å; F10-E14 WeakPolarHBondContact O-CB 3.39Å; F10-E14 PolarHBondContact O-N 2.78Å
11E78.4Confident71Confident131 Ų131107.4 Ų107.461%0.61252%0.518SS*.Hα-helixtrans-59.4-35.6173.8-70175.8-165.100112.1E7 F15E7-E11 WeakPolarHBondContact O-CG 3.46Å; E7-E11 PolarHBondContact O-N 3.28Å; E11-F15 VanDerWaalsContact O-CB 3.22Å; E11-F15 WeakPolarHBondContact O-CB 3.4Å; E11-F15 PolarHBondContact O-N 2.79Å
12R79Confident72.7Confident139 Ų139101.4 Ų101.453%0.52549%0.489SS..Hα-helixtrans-72.6-41.4176-176.2179.6-60.984.414.9112.1D8 W9 F10 F15 I16D8-R12 PolarHBondContact O-NH1 2.79Å; D8-R12 PolarHBondContact O-NH2 2.8Å; W9-R12 PolarHBondContact O-N 2.68Å; F10-R12 PolarHBondContact O-N 2.73Å; R12-F15 PolarHBondContact O-N 3.39Å; R12-I16 HydrophobicContact CG-CD1 3.91Å; R12-I16 WeakPolarHBondContact O-CB 3.38Å; R12-I16 WeakPolarHBondContact O-CD1 3.3Å; R12-I16 WeakPolarHBondContact O-CG1 3.25Å; R12-I16 PolarHBondContact O-N 2.81Å
13E83.4Confident74Confident96 Ų96106 Ų10645%0.44949%0.491SS..Hα-helixtrans-69.5-37.5178.8-159.967.2-167.300110.8W9 F10 I16 G17W9-E13 HydrophobicContact CZ2-CG 4.46Å; W9-E13 PolarHBondContact O-N 3.29Å; F10-E13 PolarHBondContact O-N 2.81Å; E13-I16 PolarHBondContact O-N 3.07Å; E13-G17 PolarHBondContact O-N 2.68Å
14E81.5Confident75.2Confident103 Ų103109 Ų10948%0.48150%0.503SS..Hα-helixtrans-62.8-45.9171.1-168.1-173.8154.300111.2F10 I16 G17 Q18F10-E14 WeakPolarHBondContact O-CB 3.39Å; F10-E14 PolarHBondContact O-N 2.78Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 3.12Å; E14-G17 CarbonylContact O-C 3.55Å; E14-G17 WeakPolarHBondContact O-CA 3.3Å; E14-G17 PolarHBondContact O-N 3.26Å; E14-G17 VanDerWaalsContact O-N 3.1Å; E14-Q18 WeakPolarHBondContact O-CG 3.32Å; E14-Q18 PolarHBondContact O-N 3.44Å; E14-Q18 PolarHBondContact OE1-NE2 3.07Å
15F82.7Confident76.3Confident123 Ų123109.1 Ų109.154%0.53950%0.504SS..Hα-helixtrans-64.7-35.5175.6-174.5-117.1000112.8E11 R12 G17 I19E11-F15 VanDerWaalsContact O-CB 3.22Å; E11-F15 WeakPolarHBondContact O-CB 3.4Å; E11-F15 PolarHBondContact O-N 2.79Å; R12-F15 PolarHBondContact O-N 3.39Å; F15-G17 VanDerWaalsContact C-N 3.35Å; F15-I19 HydrophobicContact CD1-CD1 3.79Å; F15-I19 HydrophobicContact CD2-CD1 4.49Å; F15-I19 HydrophobicContact CE1-CD1 3.46Å; F15-I19 VanDerWaalsContact CE1-CD1 3.46Å; F15-I19 HydrophobicContact CE2-CD1 4.21Å; F15-I19 HydrophobicContact CG-CD1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 3.7Å; F15-I19 HydrophobicContact CZ-CG1 4.43Å; F15-I19 WeakPolarHBondContact O-CB 3.4Å; F15-I19 VanDerWaalsContact O-CG1 3.29Å; F15-I19 WeakPolarHBondContact O-CG1 3.35Å; F15-I19 PolarHBondContact O-N 3.14Å
16I82.4Confident77.6Confident75 Ų75105.8 Ų105.839%0.38550%0.498SS..Hα-helixtrans-65.8-38.5170.8-73.4165.7000110.8R12 E13 E14 S20R12-I16 HydrophobicContact CG-CD1 3.91Å; R12-I16 WeakPolarHBondContact O-CB 3.38Å; R12-I16 WeakPolarHBondContact O-CD1 3.3Å; R12-I16 WeakPolarHBondContact O-CG1 3.25Å; R12-I16 PolarHBondContact O-N 2.81Å; E13-I16 PolarHBondContact O-N 3.07Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 3.12Å; I16-S20 VanDerWaalsContact O-CB 3.29Å; I16-S20 WeakPolarHBondContact O-CB 3.23Å; I16-S20 PolarHBondContact O-N 2.91Å; I16-S20 PolarHBondContact O-OG 2.72Å
17G80.1Confident78.8Confident26 Ų2699.3 Ų99.327%0.26848%0.477SS..Hα-helixtrans-58.9-57.417100000111.6E13 E14 F15 I19 S20 D21E13-G17 PolarHBondContact O-N 2.68Å; E14-G17 CarbonylContact O-C 3.55Å; E14-G17 WeakPolarHBondContact O-CA 3.3Å; E14-G17 PolarHBondContact O-N 3.26Å; E14-G17 VanDerWaalsContact O-N 3.1Å; F15-G17 VanDerWaalsContact C-N 3.35Å; G17-I19 VanDerWaalsContact C-N 3.34Å; G17-I19 PolarHBondContact O-N 3.4Å; G17-S20 CarbonylContact O-C 3.11Å; G17-S20 WeakPolarHBondContact O-CA 3.29Å; G17-S20 WeakPolarHBondContact O-CB 3.1Å; G17-S20 PolarHBondContact O-N 2.96Å; G17-D21 PolarHBondContact O-N 2.66Å
18Q83.8Confident79.6Confident89 Ų8999.1 Ų99.142%0.41648%0.476SS..Hα-helixtrans-55.4-44.1177.9-67.4173.21400112.3E14 S20 D21 I22E14-Q18 WeakPolarHBondContact O-CG 3.32Å; E14-Q18 PolarHBondContact O-N 3.44Å; E14-Q18 PolarHBondContact OE1-NE2 3.07Å; Q18-S20 VanDerWaalsContact C-N 3.32Å; Q18-S20 PolarHBondContact O-N 3.19Å; Q18-D21 PolarHBondContact O-N 3.28Å; Q18-I22 WeakPolarHBondContact O-CB 3.24Å; Q18-I22 WeakPolarHBondContact O-CD1 3.13Å; Q18-I22 WeakPolarHBondContact O-CG1 3.42Å; Q18-I22 PolarHBondContact O-N 3.38Å
19I81.5Confident80.1Confident87 Ų8799.2 Ų99.245%0.44648%0.48SS..Hα-helixtrans-62.8-38.7173.7-73.9170.2000111.6F15 G17 R23F15-I19 HydrophobicContact CD1-CD1 3.79Å; F15-I19 HydrophobicContact CD2-CD1 4.49Å; F15-I19 HydrophobicContact CE1-CD1 3.46Å; F15-I19 VanDerWaalsContact CE1-CD1 3.46Å; F15-I19 HydrophobicContact CE2-CD1 4.21Å; F15-I19 HydrophobicContact CG-CD1 4.31Å; F15-I19 HydrophobicContact CZ-CD1 3.7Å; F15-I19 HydrophobicContact CZ-CG1 4.43Å; F15-I19 WeakPolarHBondContact O-CB 3.4Å; F15-I19 VanDerWaalsContact O-CG1 3.29Å; F15-I19 WeakPolarHBondContact O-CG1 3.35Å; F15-I19 PolarHBondContact O-N 3.14Å; G17-I19 VanDerWaalsContact C-N 3.34Å; G17-I19 PolarHBondContact O-N 3.4Å; I19-R23 VanDerWaalsContact O-CB 3.24Å; I19-R23 WeakPolarHBondContact O-CB 3.32Å; I19-R23 PolarHBondContact O-N 3.36Å
20S79.4Confident80.6Confident56 Ų5696.9 Ų96.939%0.39247%0.474SS..Hα-helixtrans-68.4-41.1177.9-60.20000111.5I16 G17 Q18 R23 V24I16-S20 VanDerWaalsContact O-CB 3.29Å; I16-S20 WeakPolarHBondContact O-CB 3.23Å; I16-S20 PolarHBondContact O-N 2.91Å; I16-S20 PolarHBondContact O-OG 2.72Å; G17-S20 CarbonylContact O-C 3.11Å; G17-S20 WeakPolarHBondContact O-CA 3.29Å; G17-S20 WeakPolarHBondContact O-CB 3.1Å; G17-S20 PolarHBondContact O-N 2.96Å; Q18-S20 VanDerWaalsContact C-N 3.32Å; Q18-S20 PolarHBondContact O-N 3.19Å; S20-R23 CarbonylContact O-C 3.51Å; S20-R23 WeakPolarHBondContact O-CB 3.35Å; S20-R23 PolarHBondContact O-N 2.87Å; S20-V24 VanDerWaalsContact O-CG2 3.31Å; S20-V24 WeakPolarHBondContact O-CG2 3.33Å; S20-V24 PolarHBondContact O-N 3.4Å
21D81.8Confident81.1Confident94 Ų9494.8 Ų94.850%0.50346%0.462SS..Hα-helixtrans-67.3-45.8177.7-67.7-28.8000111.5G17 Q18 R23 V24 Q25G17-D21 PolarHBondContact O-N 2.66Å; Q18-D21 PolarHBondContact O-N 3.28Å; D21-R23 VanDerWaalsContact C-N 3.25Å; D21-R23 PolarHBondContact O-N 2.92Å; D21-V24 PolarHBondContact O-N 3.14Å; D21-V24 VanDerWaalsContact O-N 3.15Å; D21-Q25 WeakPolarHBondContact O-CB 3.35Å; D21-Q25 VanDerWaalsContact O-CG 3.3Å; D21-Q25 WeakPolarHBondContact O-CG 3.42Å; D21-Q25 PolarHBondContact O-N 3.32Å
22I83Confident81.7Confident94 Ų9490.7 Ų90.748%0.48244%0.443SS..Hα-helixtrans-57-41.9171.9-69.3163.8000110.3Q18 Q25 N26Q18-I22 WeakPolarHBondContact O-CB 3.24Å; Q18-I22 WeakPolarHBondContact O-CD1 3.13Å; Q18-I22 WeakPolarHBondContact O-CG1 3.42Å; Q18-I22 PolarHBondContact O-N 3.38Å; I22-Q25 PolarHBondContact O-N 3.37Å; I22-N26 WeakPolarHBondContact O-CB 3.32Å; I22-N26 VanDerWaalsContact O-CG 3.26Å; I22-N26 PolarHBondContact O-N 3.01Å; I22-N26 PolarHBondContact O-ND2 3.22Å
23R78.7Confident82.2Confident169 Ų16987 Ų8764%0.63844%0.436SS*.Hα-helixtrans-67.1-39.6177-174.3178.6-176.2176.93.7112.4I19 S20 D21 L27I19-R23 VanDerWaalsContact O-CB 3.24Å; I19-R23 WeakPolarHBondContact O-CB 3.32Å; I19-R23 PolarHBondContact O-N 3.36Å; S20-R23 CarbonylContact O-C 3.51Å; S20-R23 WeakPolarHBondContact O-CB 3.35Å; S20-R23 PolarHBondContact O-N 2.87Å; D21-R23 VanDerWaalsContact C-N 3.25Å; D21-R23 PolarHBondContact O-N 2.92Å; R23-L27 HydrophobicContact CG-CD1 4.1Å; R23-L27 WeakPolarHBondContact O-CB 3.48Å; R23-L27 WeakPolarHBondContact O-CG 3.47Å; R23-L27 PolarHBondContact O-N 2.93Å
24V77.8Confident82.6Confident94 Ų9483.3 Ų83.357%0.5742%0.42SS*.Hα-helixtrans-65.8-42.8176166.60000110.7S20 D21 L27 Q28S20-V24 VanDerWaalsContact O-CG2 3.31Å; S20-V24 WeakPolarHBondContact O-CG2 3.33Å; S20-V24 PolarHBondContact O-N 3.4Å; D21-V24 PolarHBondContact O-N 3.14Å; D21-V24 VanDerWaalsContact O-N 3.15Å; V24-L27 PolarHBondContact O-N 2.92Å; V24-Q28 WeakPolarHBondContact O-CB 3.36Å; V24-Q28 PolarHBondContact O-N 3.42Å
25Q78.7Confident83.1Confident125 Ų12579.5 Ų79.558%0.58440%0.402SS*.Hα-helixtrans-62-47.6175.4-70.3171.52200111.6D21 I22 L27 Q28 V29D21-Q25 WeakPolarHBondContact O-CB 3.35Å; D21-Q25 VanDerWaalsContact O-CG 3.3Å; D21-Q25 WeakPolarHBondContact O-CG 3.42Å; D21-Q25 PolarHBondContact O-N 3.32Å; I22-Q25 PolarHBondContact O-N 3.37Å; Q25-L27 PolarHBondContact O-N 2.99Å; Q25-Q28 WeakPolarHBondContact O-CB 3.28Å; Q25-Q28 PolarHBondContact O-N 3.08Å; Q25-Q28 VanDerWaalsContact O-N 3.13Å; Q25-V29 WeakPolarHBondContact O-CG2 3.5Å; Q25-V29 PolarHBondContact O-N 3.02Å
26N79.9Confident83.7Confident95 Ų9575.8 Ų75.851%0.50839%0.386SS..Hα-helixtrans-60.9-42.9176.4-72.1-18.6000112.2I22 Q28 V29 E30I22-N26 WeakPolarHBondContact O-CB 3.32Å; I22-N26 VanDerWaalsContact O-CG 3.26Å; I22-N26 PolarHBondContact O-N 3.01Å; I22-N26 PolarHBondContact O-ND2 3.22Å; N26-Q28 VanDerWaalsContact C-N 3.29Å; N26-Q28 PolarHBondContact O-N 3.49Å; N26-V29 PolarHBondContact O-N 3.06Å; N26-E30 WeakPolarHBondContact O-CG 3.5Å; N26-E30 PolarHBondContact O-N 3.42Å
27L76.9Confident84.3Confident46 Ų4677 Ų7724%0.24139%0.386CS..Hα-helixtrans-64.2-32.5175.1-74.5169.8000112.9R23 V24 Q25 R31 N275R23-L27 HydrophobicContact CG-CD1 4.1Å; R23-L27 WeakPolarHBondContact O-CB 3.48Å; R23-L27 WeakPolarHBondContact O-CG 3.47Å; R23-L27 PolarHBondContact O-N 2.93Å; V24-L27 PolarHBondContact O-N 2.92Å; Q25-L27 PolarHBondContact O-N 2.99Å; L27-R31 WeakPolarHBondContact O-CB 3.37Å; L27-R31 WeakPolarHBondContact O-CD 3.4Å; L27-R31 WeakPolarHBondContact O-CG 3.49Å; L27-R31 PolarHBondContact O-N 2.95Å; L27-N275 HydrophobicContact CD2-CB 3.98Å; L27-N275 VanDerWaalsContact CD2-ND2 3.34Å; L27-N275 WeakPolarHBondContact CD2-ND2 3.48Å
28Q80.4Confident85Confident87 Ų8775.8 Ų75.841%0.40737%0.373SS..Hα-helixtrans-70.3-44.7174.5-17959.524.900111.1V24 Q25 N26 R31 E32V24-Q28 WeakPolarHBondContact O-CB 3.36Å; V24-Q28 PolarHBondContact O-N 3.42Å; Q25-Q28 WeakPolarHBondContact O-CB 3.28Å; Q25-Q28 PolarHBondContact O-N 3.08Å; Q25-Q28 VanDerWaalsContact O-N 3.13Å; N26-Q28 VanDerWaalsContact C-N 3.29Å; N26-Q28 PolarHBondContact O-N 3.49Å; Q28-R31 WeakPolarHBondContact O-CB 3.25Å; Q28-R31 PolarHBondContact O-N 3.34Å; Q28-E32 PolarHBondContact NE2-OE1 3.11Å; Q28-E32 PolarHBondContact O-N 3.05Å
29V84.6Confident85.6Confident89 Ų8971.6 Ų71.654%0.53935%0.353SS..Hα-helixtrans-62-44.4176.2172.90000111.6Q25 N26 R31 E32 V33Q25-V29 WeakPolarHBondContact O-CG2 3.5Å; Q25-V29 PolarHBondContact O-N 3.02Å; N26-V29 PolarHBondContact O-N 3.06Å; V29-R31 VanDerWaalsContact C-N 3.28Å; V29-R31 PolarHBondContact O-N 3.18Å; V29-E32 PolarHBondContact O-N 3.12Å; V29-V33 WeakPolarHBondContact O-CG2 3.18Å; V29-V33 PolarHBondContact O-N 2.96Å
30E83.8Confident86.3Confident81 Ų8168.4 Ų68.438%0.37934%0.338SS..Hα-helixtrans-57.2-41.9174.2-77.1179.8-160.200112N26 V33 V34 N275N26-E30 WeakPolarHBondContact O-CG 3.5Å; N26-E30 PolarHBondContact O-N 3.42Å; E30-V33 PolarHBondContact O-N 3.01Å; E30-V34 WeakPolarHBondContact O-CG2 3.47Å; E30-V34 PolarHBondContact O-N 3.17Å; E30-N275 PolarHBondContact OE2-ND2 3.11Å
31R85.8Confident87.1Confident92 Ų9268.5 Ų68.535%0.34733%0.33SS..Hα-helixtrans-67.7-43.2177.9-76168.2166.8-160.7-13.1112.6L27 Q28 V29 V33 V34 Q35 A276L27-R31 WeakPolarHBondContact O-CB 3.37Å; L27-R31 WeakPolarHBondContact O-CD 3.4Å; L27-R31 WeakPolarHBondContact O-CG 3.49Å; L27-R31 PolarHBondContact O-N 2.95Å; Q28-R31 WeakPolarHBondContact O-CB 3.25Å; Q28-R31 PolarHBondContact O-N 3.34Å; V29-R31 VanDerWaalsContact C-N 3.28Å; V29-R31 PolarHBondContact O-N 3.18Å; R31-V33 VanDerWaalsContact C-N 3.28Å; R31-V33 PolarHBondContact O-N 2.86Å; R31-V34 PolarHBondContact O-N 2.64Å; R31-Q35 WeakPolarHBondContact O-CB 3.45Å; R31-Q35 WeakPolarHBondContact O-CG 3.37Å; R31-Q35 PolarHBondContact O-N 2.8Å; R31-A276 PolarHBondContact NH2-O 2.85Å
32E90Very high87.7Confident44 Ų4464.1 Ų64.121%0.20631%0.306CS..Hα-helixtrans-63.9-33.7175.9-74.7-178.2-145.500111.9Q28 V29 K36 L129Q28-E32 PolarHBondContact NE2-OE1 3.11Å; Q28-E32 PolarHBondContact O-N 3.05Å; V29-E32 PolarHBondContact O-N 3.12Å; E32-K36 VanDerWaalsContact O-CB 3.24Å; E32-K36 WeakPolarHBondContact O-CB 3.24Å; E32-K36 PolarHBondContact O-N 3Å; E32-L129 HydrophobicContact CB-CD1 3.97Å; E32-L129 HydrophobicContact CG-CD1 3.87Å
33V90.7Very high88.3Confident62 Ų6259.6 Ų59.638%0.37628%0.283SS..Hα-helixtrans-66-44.8172.1170.20000111.6V29 E30 R31 K36 R37V29-V33 WeakPolarHBondContact O-CG2 3.18Å; V29-V33 PolarHBondContact O-N 2.96Å; E30-V33 PolarHBondContact O-N 3.01Å; R31-V33 VanDerWaalsContact C-N 3.28Å; R31-V33 PolarHBondContact O-N 2.86Å; V33-K36 PolarHBondContact O-N 2.65Å; V33-R37 WeakPolarHBondContact O-CG 3.24Å; V33-R37 PolarHBondContact O-N 3.32Å
34V90.9Very high89.2Confident19 Ų1952.9 Ų52.912%0.11526%0.26CS..Hα-helixtrans-65.6-42.6176.5169.90000111.7E30 R31 R37 T38 D271 D278E30-V34 WeakPolarHBondContact O-CG2 3.47Å; E30-V34 PolarHBondContact O-N 3.17Å; R31-V34 PolarHBondContact O-N 2.64Å; V34-R37 PolarHBondContact O-N 2.71Å; V34-T38 WeakPolarHBondContact O-CB 3.23Å; V34-T38 PolarHBondContact O-N 3.27Å; V34-T38 PolarHBondContact O-OG1 3.46Å; V34-D271 HydrophobicContact CG1-CB 3.88Å; V34-D271 HydrophobicContact CG2-CB 4.16Å; V34-D278 HydrophobicContact CG1-CB 4.47Å
35Q92.7Very high89.9Confident23 Ų2350.4 Ų50.411%0.10724%0.243CC..Hα-helixtrans-60.5-48.8173.3-75.2177.73.900110.8R31 R37 T38 F39 L129 D278R31-Q35 WeakPolarHBondContact O-CB 3.45Å; R31-Q35 WeakPolarHBondContact O-CG 3.37Å; R31-Q35 PolarHBondContact O-N 2.8Å; Q35-R37 VanDerWaalsContact C-N 3.35Å; Q35-R37 PolarHBondContact O-N 3.29Å; Q35-T38 PolarHBondContact O-N 2.89Å; Q35-F39 HydrophobicContact CB-CE1 4.14Å; Q35-F39 HydrophobicContact CB-CE2 4.33Å; Q35-F39 HydrophobicContact CB-CZ 4.01Å; Q35-F39 HydrophobicContact CG-CE1 4.25Å; Q35-F39 HydrophobicContact CG-CZ 4.07Å; Q35-F39 VanDerWaalsContact O-CB 3.27Å; Q35-F39 WeakPolarHBondContact O-CB 3.32Å; Q35-F39 VanDerWaalsContact O-CD1 3.23Å; Q35-F39 WeakPolarHBondContact O-CD1 3.32Å; Q35-F39 WeakPolarHBondContact O-CG 3.37Å; Q35-F39 PolarHBondContact O-N 3.42Å; Q35-L129 HydrophobicContact CB-CD1 4.23Å; Q35-L129 HydrophobicContact CB-CD2 4.09Å; Q35-D278 HydrophobicContact CG-CB 4.48Å; Q35-D278 WeakPolarHBondContact CG-OD2 3.41Å; Q35-D278 VanDerWaalsContact NE2-CG 3.33Å; Q35-D278 PolarHBondContact NE2-OD1 3.14Å; Q35-D278 PolarHBondContact NE2-OD2 2.87Å
36K94.7Very high90.6Very high45 Ų4545.6 Ų45.620%0.19622%0.221CC..Hα-helixtrans-54.5-48.7177.1-170.1-173.8-169.1176.90111.3E32 V33 T40 D58 L59 F60 L129E32-K36 VanDerWaalsContact O-CB 3.24Å; E32-K36 WeakPolarHBondContact O-CB 3.24Å; E32-K36 PolarHBondContact O-N 3Å; V33-K36 PolarHBondContact O-N 2.65Å; K36-T40 VanDerWaalsContact O-CB 3.24Å; K36-T40 WeakPolarHBondContact O-CB 3.49Å; K36-T40 PolarHBondContact O-N 3.29Å; K36-T40 PolarHBondContact O-OG1 3.35Å; K36-D58 WeakPolarHBondContact CE-OD1 3.34Å; K36-D58 IonicContact NZ-OD1 2.67Å; K36-D58 PolarHBondContact NZ-OD1 3.46Å; K36-D58 IonicContact NZ-OD2 3.65Å; K36-D58 PolarHBondContact NZ-OD2 3.07Å; K36-L59 HydrophobicContact CG-CB 4.04Å; K36-L59 HydrophobicContact CG-CD2 3.99Å; K36-F60 HydrophobicContact CB-CZ 4.12Å; K36-F60 HydrophobicContact CD-CD2 4.16Å; K36-F60 HydrophobicContact CD-CE1 4.33Å; K36-F60 HydrophobicContact CD-CE2 3.56Å; K36-F60 HydrophobicContact CD-CZ 3.65Å; K36-F60 HydrophobicContact CG-CE1 4.19Å; K36-F60 HydrophobicContact CG-CE2 4.27Å; K36-F60 HydrophobicContact CG-CZ 3.82Å; K36-L129 HydrophobicContact CB-CD2 4.49Å
37R94.1Very high91.2Very high101 Ų10141.1 Ų41.138%0.38120%0.196SC..Hα-helixtrans-58.5-53.5176.1-70.5173.1-170.4169.90.6111.6V33 V34 Q35 F39 T40 R41 D271V33-R37 WeakPolarHBondContact O-CG 3.24Å; V33-R37 PolarHBondContact O-N 3.32Å; V34-R37 PolarHBondContact O-N 2.71Å; Q35-R37 VanDerWaalsContact C-N 3.35Å; Q35-R37 PolarHBondContact O-N 3.29Å; R37-F39 PolarHBondContact O-N 2.79Å; R37-T40 PolarHBondContact O-N 2.92Å; R37-R41 WeakPolarHBondContact O-CB 3.23Å; R37-R41 VanDerWaalsContact O-CG 3.27Å; R37-R41 WeakPolarHBondContact O-CG 3.3Å; R37-R41 PolarHBondContact O-N 3.48Å; R37-D271 IonicContact CZ-OD1 3.71Å; R37-D271 IonicContact NH1-OD1 3.75Å; R37-D271 PolarHBondContact NH1-OD1 2.87Å
38T95.2Very high92Very high0 Ų045.8 Ų45.80%022%0.217CC..Hα-helixtrans-62.2-43.2-175.1-53.10000111.4V34 Q35 W42 L266 L267 S281V34-T38 WeakPolarHBondContact O-CB 3.23Å; V34-T38 PolarHBondContact O-N 3.27Å; V34-T38 PolarHBondContact O-OG1 3.46Å; Q35-T38 PolarHBondContact O-N 2.89Å; T38-W42 WeakPolarHBondContact O-CB 3.46Å; T38-W42 PolarHBondContact O-N 3.11Å; T38-L266 HydrophobicContact CG2-CB 4.17Å; T38-L267 HydrophobicContact CG2-CD2 3.8Å; T38-L267 WeakPolarHBondContact OG1-CD2 3.09Å; T38-S281 PolarHBondContact OG1-OG 3.02Å
39F96.2Very high92.4Very high0 Ų046.9 Ų46.90%022%0.221CC..Hα-helixtrans-71.4-38.5-179.8-66.212.7000111Q35 R37 W42 M43 L59 L129 I132 W133 I136 Q280 I284Q35-F39 HydrophobicContact CB-CE1 4.14Å; Q35-F39 HydrophobicContact CB-CE2 4.33Å; Q35-F39 HydrophobicContact CB-CZ 4.01Å; Q35-F39 HydrophobicContact CG-CE1 4.25Å; Q35-F39 HydrophobicContact CG-CZ 4.07Å; Q35-F39 VanDerWaalsContact O-CB 3.27Å; Q35-F39 WeakPolarHBondContact O-CB 3.32Å; Q35-F39 VanDerWaalsContact O-CD1 3.23Å; Q35-F39 WeakPolarHBondContact O-CD1 3.32Å; Q35-F39 WeakPolarHBondContact O-CG 3.37Å; Q35-F39 PolarHBondContact O-N 3.42Å; R37-F39 PolarHBondContact O-N 2.79Å; F39-W42 PolarHBondContact O-N 2.96Å; F39-M43 WeakPolarHBondContact O-CB 3.44Å; F39-M43 WeakPolarHBondContact O-CG 3.2Å; F39-M43 PolarHBondContact O-N 2.94Å; F39-L59 HydrophobicContact CB-CD2 4.14Å; F39-L129 HydrophobicContact CD2-CD2 3.53Å; F39-L129 HydrophobicContact CE2-CB 4.08Å; F39-L129 HydrophobicContact CE2-CD2 3.77Å; F39-L129 WeakPolarHBondContact CE2-O 3.33Å; F39-L129 HydrophobicContact CG-CD2 4.39Å; F39-I132 HydrophobicContact CB-CG2 3.92Å; F39-I132 HydrophobicContact CD2-CB 3.91Å; F39-I132 HydrophobicContact CD2-CG2 3.7Å; F39-I132 HydrophobicContact CG-CG2 3.97Å; F39-W133 HydrophobicContact CE2-CB 4.11Å; F39-W133 HydrophobicContact CZ-CB 4.12Å; F39-I136 HydrophobicContact CD1-CD1 4.15Å; F39-I136 HydrophobicContact CG-CD1 4.31Å; F39-Q280 HydrophobicContact CZ-CB 4.47Å; F39-I284 HydrophobicContact CD1-CD1 3.68Å; F39-I284 HydrophobicContact CE1-CD1 3.32Å; F39-I284 HydrophobicContact CZ-CD1 4.29Å
40T96.4Very high92.6Very high20 Ų2043.8 Ų43.812%0.12320%0.203CC..Hα-helixtrans-63.4-46.5174.3-55.30000111.1K36 R37 W42 M43 N44 I56K36-T40 VanDerWaalsContact O-CB 3.24Å; K36-T40 WeakPolarHBondContact O-CB 3.49Å; K36-T40 PolarHBondContact O-N 3.29Å; K36-T40 PolarHBondContact O-OG1 3.35Å; R37-T40 PolarHBondContact O-N 2.92Å; T40-W42 VanDerWaalsContact C-N 3.32Å; T40-W42 PolarHBondContact O-N 3.07Å; T40-M43 PolarHBondContact O-N 3.27Å; T40-N44 WeakPolarHBondContact O-CB 3.49Å; T40-N44 VanDerWaalsContact O-CG 3.24Å; T40-N44 PolarHBondContact O-N 3.12Å; T40-N44 PolarHBondContact O-ND2 2.89Å; T40-I56 HydrophobicContact CG2-CB 4.04Å; T40-I56 HydrophobicContact CG2-CG2 3.82Å
41R95.9Very high92.3Very high59 Ų5947.7 Ų47.722%0.22323%0.226CC..Hα-helixtrans-59.9-42.1174.5-68.4166.6-177.1149.92.6111.2R37 L45 L266 E268 D271R37-R41 WeakPolarHBondContact O-CB 3.23Å; R37-R41 VanDerWaalsContact O-CG 3.27Å; R37-R41 WeakPolarHBondContact O-CG 3.3Å; R37-R41 PolarHBondContact O-N 3.48Å; R41-L45 PolarHBondContact O-N 2.84Å; R41-L45 VanDerWaalsContact O-N 3.14Å; R41-L266 HydrophobicContact CB-CD2 3.76Å; R41-L266 WeakPolarHBondContact CD-O 3.33Å; R41-L266 PolarHBondContact NH1-O 3.29Å; R41-E268 IonicContact CZ-OE1 2.86Å; R41-E268 IonicContact CZ-OE2 2.71Å; R41-E268 IonicContact NH2-OE1 3.8Å; R41-E268 PolarHBondContact NH2-OE1 3.44Å; R41-E268 IonicContact NH2-OE2 2.74Å; R41-E268 PolarHBondContact NH2-OE2 3.02Å; R41-D271 IonicContact CZ-OD2 2.76Å; R41-D271 IonicContact NH1-OD2 2.81Å; R41-D271 PolarHBondContact NH1-OD2 3.1Å
42W95.8Very high92.3Very high1 Ų147 Ų470%0.00423%0.234CC..Hα-helixtrans-65.7-46.6177.1-17889.4000112.8T38 F39 T40 N44 L45 H46 L72 L76 I135 I136 L266 I284T38-W42 WeakPolarHBondContact O-CB 3.46Å; T38-W42 PolarHBondContact O-N 3.11Å; F39-W42 PolarHBondContact O-N 2.96Å; T40-W42 VanDerWaalsContact C-N 3.32Å; T40-W42 PolarHBondContact O-N 3.07Å; W42-N44 VanDerWaalsContact C-N 3.34Å; W42-N44 PolarHBondContact O-N 3.19Å; W42-L45 WeakPolarHBondContact O-CB 3.4Å; W42-L45 PolarHBondContact O-N 3.34Å; W42-H46 AromaticContact CE2-CD2 3.78Å; W42-H46 AromaticContact CZ2-CD2 3.87Å; W42-H46 PolarHBondContact O-CD2 3.18Å; W42-L72 HydrophobicContact CH2-CD1 4.42Å; W42-L72 HydrophobicContact CZ3-CD1 4.05Å; W42-L72 HydrophobicContact CZ3-CD2 4Å; W42-L76 HydrophobicContact CH2-CD1 3.65Å; W42-L76 HydrophobicContact CH2-CD2 4.1Å; W42-L76 HydrophobicContact CH2-CG 4.49Å; W42-L76 HydrophobicContact CZ2-CD1 4.49Å; W42-L76 HydrophobicContact CZ2-CD2 4.17Å; W42-L76 HydrophobicContact CZ3-CD1 4.42Å; W42-I135 HydrophobicContact CH2-CG2 4.26Å; W42-I136 HydrophobicContact CD2-CD1 3.95Å; W42-I136 HydrophobicContact CD2-CG1 3.68Å; W42-I136 HydrophobicContact CD2-CG2 4.49Å; W42-I136 HydrophobicContact CE3-CD1 3.86Å; W42-I136 HydrophobicContact CE3-CG1 3.54Å; W42-I136 HydrophobicContact CG-CD1 4.36Å; W42-I136 HydrophobicContact CG-CG1 4.5Å; W42-I136 HydrophobicContact CH2-CB 4.27Å; W42-I136 HydrophobicContact CH2-CG1 3.51Å; W42-I136 HydrophobicContact CZ2-CB 4.14Å; W42-I136 HydrophobicContact CZ2-CG1 3.67Å; W42-I136 HydrophobicContact CZ2-CG2 3.94Å; W42-I136 HydrophobicContact CZ3-CD1 4.23Å; W42-I136 HydrophobicContact CZ3-CG1 3.45Å; W42-I136 VanDerWaalsContact CZ3-CG1 3.45Å; W42-L266 HydrophobicContact CB-CD1 3.91Å; W42-L266 HydrophobicContact CG-CD1 4.34Å; W42-I284 HydrophobicContact CB-CG2 4.48Å; W42-I284 HydrophobicContact CG-CG2 4.11Å
43M96Very high92.2Very high0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-62.8-43.4177.9-72.3-179.475.500110.9F39 T40 L45 H46 L47 I56 L59 I63 V68 L69 L72 I132F39-M43 WeakPolarHBondContact O-CB 3.44Å; F39-M43 WeakPolarHBondContact O-CG 3.2Å; F39-M43 PolarHBondContact O-N 2.94Å; T40-M43 PolarHBondContact O-N 3.27Å; M43-L45 VanDerWaalsContact C-N 3.29Å; M43-L45 PolarHBondContact O-N 3.01Å; M43-H46 PolarHBondContact O-N 2.89Å; M43-L47 HydrophobicContact CB-CD1 4.1Å; M43-L47 WeakPolarHBondContact O-CB 3.44Å; M43-L47 VanDerWaalsContact O-CG 3.26Å; M43-L47 WeakPolarHBondContact O-CG 3.32Å; M43-L47 PolarHBondContact O-N 3.24Å; M43-I56 HydrophobicContact CB-CD1 3.65Å; M43-I56 HydrophobicContact CE-CD1 3.44Å; M43-I56 VanDerWaalsContact CE-CD1 3.44Å; M43-I56 HydrophobicContact CG-CD1 4.24Å; M43-I56 HydrophobicContact SD-CD1 3.59Å; M43-I56 VanDerWaalsContact SD-CD1 3.59Å; M43-L59 HydrophobicContact SD-CD1 3.39Å; M43-L59 WeakPolarHBondContact SD-CD1 3.34Å; M43-I63 HydrophobicContact CE-CD1 3.86Å; M43-I63 HydrophobicContact CE-CG1 4.29Å; M43-I63 HydrophobicContact SD-CD1 4.11Å; M43-V68 HydrophobicContact CE-CG1 3.86Å; M43-L69 HydrophobicContact CE-CD2 4.38Å; M43-L72 HydrophobicContact CE-CD2 3.59Å; M43-L72 HydrophobicContact CG-CD2 4.02Å; M43-L72 HydrophobicContact SD-CD2 4.39Å; M43-I132 HydrophobicContact CE-CD1 3.74Å; M43-I132 HydrophobicContact CG-CG2 4.35Å; M43-I132 HydrophobicContact SD-CD1 3.55Å; M43-I132 VanDerWaalsContact SD-CD1 3.55Å; M43-I132 HydrophobicContact SD-CG1 3.91Å; M43-I132 HydrophobicContact SD-CG2 4.09Å
44N95.7Very high92.3Very high28 Ų2848.2 Ų48.215%0.1524%0.244CC..Hα-helixtrans-60.9-36177.5-72.2-12.8000112.5T40 W42 H46 L47 E48 I56T40-N44 WeakPolarHBondContact O-CB 3.49Å; T40-N44 VanDerWaalsContact O-CG 3.24Å; T40-N44 PolarHBondContact O-N 3.12Å; T40-N44 PolarHBondContact O-ND2 2.89Å; W42-N44 VanDerWaalsContact C-N 3.34Å; W42-N44 PolarHBondContact O-N 3.19Å; N44-H46 PolarHBondContact O-N 3.35Å; N44-L47 PolarHBondContact O-N 3Å; N44-E48 VanDerWaalsContact O-CB 3.29Å; N44-E48 WeakPolarHBondContact O-CB 3.48Å; N44-E48 PolarHBondContact O-N 3.2Å; N44-I56 PolarHBondContact ND2-O 3.31Å; N44-I56 VanDerWaalsContact ND2-O 3.1Å; N44-I56 WeakPolarHBondContact OD1-CB 3.36Å; N44-I56 PolarHBondContact OD1-N 3.13Å
45L93.7Very high92.4Very high42 Ų4254.3 Ų54.322%0.2227%0.271CS..Hα-helixtrans-61.7-23.5174.2175.163.4000114.2R41 W42 M43 K49 P264R41-L45 PolarHBondContact O-N 2.84Å; R41-L45 VanDerWaalsContact O-N 3.14Å; W42-L45 WeakPolarHBondContact O-CB 3.4Å; W42-L45 PolarHBondContact O-N 3.34Å; M43-L45 VanDerWaalsContact C-N 3.29Å; M43-L45 PolarHBondContact O-N 3.01Å; L45-K49 WeakPolarHBondContact O-CE 3.23Å; L45-K49 PolarHBondContact O-NZ 3.35Å; L45-P264 HydrophobicContact CD1-CB 4.13Å; L45-P264 HydrophobicContact CD1-CG 3.53Å; L45-P264 HydrophobicContact CD2-CB 3.99Å; L45-P264 HydrophobicContact CD2-CG 3.69Å; L45-P264 HydrophobicContact CG-CG 4.24Å
46H92.3Very high92.5Very high24 Ų2453.4 Ų53.411%0.11127%0.267CS..Hα-helixtrans-93.7-42.7171.8-70.6-83.5000111.5W42 M43 N44 E48 K49 L72 E75W42-H46 AromaticContact CE2-CD2 3.78Å; W42-H46 AromaticContact CZ2-CD2 3.87Å; W42-H46 PolarHBondContact O-CD2 3.18Å; M43-H46 PolarHBondContact O-N 2.89Å; N44-H46 PolarHBondContact O-N 3.35Å; H46-E48 VanDerWaalsContact C-N 3.3Å; H46-E48 PolarHBondContact O-N 2.9Å; H46-K49 PolarHBondContact CE1-NZ 2.95Å; H46-K49 VanDerWaalsContact O-CB 3.32Å; H46-K49 WeakPolarHBondContact O-CB 3.47Å; H46-K49 PolarHBondContact O-N 3.34Å; H46-L72 HydrophobicContact CB-CD1 3.75Å; H46-E75 HydrophobicContact CB-CG 4.11Å; H46-E75 IonicContact CE1-OE1 2.74Å
47L93.6Very high92.3Very high0 Ų059.4 Ų59.40%030%0.296CS..Hα-helixtrans-68.7-22.5-177.1-69.2168.8000114.4M43 N44 K49 C50 L54 I56 V68 A71 L72M43-L47 HydrophobicContact CB-CD1 4.1Å; M43-L47 WeakPolarHBondContact O-CB 3.44Å; M43-L47 VanDerWaalsContact O-CG 3.26Å; M43-L47 WeakPolarHBondContact O-CG 3.32Å; M43-L47 PolarHBondContact O-N 3.24Å; N44-L47 PolarHBondContact O-N 3Å; L47-K49 PolarHBondContact O-N 2.63Å; L47-C50 WeakPolarHBondContact O-CB 3.46Å; L47-C50 PolarHBondContact O-N 3.2Å; L47-L54 CarbonylContact C-O 3.37Å; L47-L54 HydrophobicContact CB-CB 4.05Å; L47-L54 VanDerWaalsContact CB-O 3.25Å; L47-L54 WeakPolarHBondContact CB-O 3.24Å; L47-L54 HydrophobicContact CD2-CB 4.27Å; L47-L54 HydrophobicContact CD2-CD1 4.3Å; L47-L54 PolarHBondContact O-N 2.87Å; L47-I56 HydrophobicContact CD1-CD1 3.78Å; L47-I56 HydrophobicContact CD1-CG1 3.87Å; L47-V68 HydrophobicContact CD1-CG1 3.71Å; L47-A71 HydrophobicContact CD2-CB 3.93Å; L47-L72 HydrophobicContact CD2-CB 4.17Å
48E93.6Very high92.3Very high144 Ų14457.3 Ų57.367%0.67329%0.292SS*.THydrogen-bonded Turntrans-64.6-21.3170.1-176.8172.1-156.100112.9N44 H46N44-E48 VanDerWaalsContact O-CB 3.29Å; N44-E48 WeakPolarHBondContact O-CB 3.48Å; N44-E48 PolarHBondContact O-N 3.2Å; H46-E48 VanDerWaalsContact C-N 3.3Å; H46-E48 PolarHBondContact O-N 2.9Å
49K88.9Confident92.3Very high111 Ų11157.3 Ų57.348%0.48329%0.292SS..THydrogen-bonded Turntrans-85.7-17.1179.2-56.6165.2-176158.30113.2L45 H46 L47 E75L45-K49 WeakPolarHBondContact O-CE 3.23Å; L45-K49 PolarHBondContact O-NZ 3.35Å; H46-K49 PolarHBondContact CE1-NZ 2.95Å; H46-K49 VanDerWaalsContact O-CB 3.32Å; H46-K49 WeakPolarHBondContact O-CB 3.47Å; H46-K49 PolarHBondContact O-N 3.34Å; L47-K49 PolarHBondContact O-N 2.63Å; K49-E75 WeakPolarHBondContact CD-OE1 3.38Å
50C88.4Confident92.2Very high24 Ų2459.3 Ų59.316%0.16230%0.301CS..SBendtrans-68157.7179-59.20000111.6L47 P52 P53L47-C50 WeakPolarHBondContact O-CB 3.46Å; L47-C50 PolarHBondContact O-N 3.2Å; C50-P52 CarbonylContact C-O 3.54Å; C50-P52 CarbonylContact O-C 3.41Å; C50-P53 VanDerWaalsContact O-CA 3.24Å; C50-P53 WeakPolarHBondContact O-CA 3.27Å
51D78.4Confident92.1Very high163 Ų16364.6 Ų64.687%0.87232%0.324SS*.SBendtrans-117.1113.3171.1-176.520.1000110.1
52P84.4Confident92Very high78 Ų7864.3 Ų64.351%0.50633%0.327SS..SBendcis-69.4157.6-5.731.9-36.7000112.2C50C50-P52 CarbonylContact C-O 3.54Å; C50-P52 CarbonylContact O-C 3.41Å
53P89Confident91.9Very high90 Ų9064.3 Ų64.358%0.58433%0.327SS*.  trans-65.3137.6177.326.6-34.9000110.7C50C50-P53 VanDerWaalsContact O-CA 3.24Å; C50-P53 WeakPolarHBondContact O-CA 3.27Å
54L91.4Very high91.8Very high40 Ų4066.6 Ų66.621%0.20934%0.338CS..  trans-115.3145.9-177.2-62.8175000110.6L47 Y67 A71L47-L54 CarbonylContact C-O 3.37Å; L47-L54 HydrophobicContact CB-CB 4.05Å; L47-L54 VanDerWaalsContact CB-O 3.25Å; L47-L54 WeakPolarHBondContact CB-O 3.24Å; L47-L54 HydrophobicContact CD2-CB 4.27Å; L47-L54 HydrophobicContact CD2-CD1 4.3Å; L47-L54 PolarHBondContact O-N 2.87Å; L54-Y67 HydrophobicContact CD1-CD1 4.33Å; L54-Y67 HydrophobicContact CD1-CE1 3.64Å; L54-Y67 HydrophobicContact CD2-CE1 4Å; L54-A71 HydrophobicContact CD1-CB 3.64Å
55Q92.9Very high91.5Very high148 Ų14867.6 Ų67.669%0.69234%0.343SS*.  trans-138.4127.9178.3-170.3-177.925.300110.3
56I94.8Very high91.5Very high4 Ų465.6 Ų65.62%0.02133%0.332CS..  trans-83.4133.1170.9-59.4175.1000108.8T40 M43 N44 L47 L59 D62 V68T40-I56 HydrophobicContact CG2-CB 4.04Å; T40-I56 HydrophobicContact CG2-CG2 3.82Å; M43-I56 HydrophobicContact CB-CD1 3.65Å; M43-I56 HydrophobicContact CE-CD1 3.44Å; M43-I56 VanDerWaalsContact CE-CD1 3.44Å; M43-I56 HydrophobicContact CG-CD1 4.24Å; M43-I56 HydrophobicContact SD-CD1 3.59Å; M43-I56 VanDerWaalsContact SD-CD1 3.59Å; N44-I56 PolarHBondContact ND2-O 3.31Å; N44-I56 VanDerWaalsContact ND2-O 3.1Å; N44-I56 WeakPolarHBondContact OD1-CB 3.36Å; N44-I56 PolarHBondContact OD1-N 3.13Å; L47-I56 HydrophobicContact CD1-CD1 3.78Å; L47-I56 HydrophobicContact CD1-CG1 3.87Å; I56-L59 HydrophobicContact CD1-CD1 4.22Å; I56-L59 HydrophobicContact CG2-CB 4.4Å; I56-D62 WeakPolarHBondContact CA-OD2 3.17Å; I56-D62 HydrophobicContact CG2-CB 4.21Å; I56-D62 WeakPolarHBondContact CG2-OD2 3.41Å; I56-V68 HydrophobicContact CD1-CG1 3.63Å; I56-V68 HydrophobicContact CG1-CG1 3.81Å
57Q92.4Very high91.5Very high171 Ų17167.6 Ų67.680%0.79934%0.34SS*.SBendtrans-106.6-42.9169.7-61.2-175.13200110.9D62Q57-D62 PolarHBondContact N-OD2 3.13Å
58D93.5Very high91.5Very high56 Ų5668.4 Ų68.430%0.29934%0.344SS..  trans-127.8107.3168.6-163.2-46000111.7K36 F60 Q61 D62K36-D58 WeakPolarHBondContact CE-OD1 3.34Å; K36-D58 IonicContact NZ-OD1 2.67Å; K36-D58 PolarHBondContact NZ-OD1 3.46Å; K36-D58 IonicContact NZ-OD2 3.65Å; K36-D58 PolarHBondContact NZ-OD2 3.07Å; D58-F60 PolarHBondContact O-N 3.2Å; D58-F60 PolarHBondContact OD1-N 2.95Å; D58-Q61 HydrophobicContact CB-CB 4.24Å; D58-Q61 PolarHBondContact O-N 3.16Å; D58-D62 PolarHBondContact N-OD2 2.68Å; D58-D62 WeakPolarHBondContact O-CB 3.47Å; D58-D62 PolarHBondContact O-N 3.01Å
59L94.6Very high91.6Very high0 Ų061.5 Ų61.50%031%0.312CS..THydrogen-bonded Turntrans-46.4-34.6176.1-167.968.8000114.6K36 F39 M43 I56 I63 I128 L129K36-L59 HydrophobicContact CG-CB 4.04Å; K36-L59 HydrophobicContact CG-CD2 3.99Å; F39-L59 HydrophobicContact CB-CD2 4.14Å; M43-L59 HydrophobicContact SD-CD1 3.39Å; M43-L59 WeakPolarHBondContact SD-CD1 3.34Å; I56-L59 HydrophobicContact CD1-CD1 4.22Å; I56-L59 HydrophobicContact CG2-CB 4.4Å; L59-I63 HydrophobicContact CD1-CD1 3.65Å; L59-I63 HydrophobicContact CG-CD1 4.13Å; L59-I63 WeakPolarHBondContact O-CB 3.35Å; L59-I63 WeakPolarHBondContact O-CD1 3.09Å; L59-I63 WeakPolarHBondContact O-CG1 3.26Å; L59-I128 HydrophobicContact CG-CG2 4.24Å; L59-L129 HydrophobicContact CD2-CD2 3.79Å
60F94.8Very high91.8Very high42 Ų4256.4 Ų56.418%0.18429%0.29CS..THydrogen-bonded Turntrans-88.3-10.7-175.5-52.1-30.6000113K36 D58 Q64 S125 I128 L129K36-F60 HydrophobicContact CB-CZ 4.12Å; K36-F60 HydrophobicContact CD-CD2 4.16Å; K36-F60 HydrophobicContact CD-CE1 4.33Å; K36-F60 HydrophobicContact CD-CE2 3.56Å; K36-F60 HydrophobicContact CD-CZ 3.65Å; K36-F60 HydrophobicContact CG-CE1 4.19Å; K36-F60 HydrophobicContact CG-CE2 4.27Å; K36-F60 HydrophobicContact CG-CZ 3.82Å; D58-F60 PolarHBondContact O-N 3.2Å; D58-F60 PolarHBondContact OD1-N 2.95Å; F60-Q64 VanDerWaalsContact O-CG 3.31Å; F60-Q64 WeakPolarHBondContact O-CG 3.24Å; F60-Q64 PolarHBondContact O-NE2 2.93Å; F60-S125 VanDerWaalsContact CE2-CB 3.46Å; F60-S125 VanDerWaalsContact CZ-CB 3.43Å; F60-I128 HydrophobicContact CB-CD1 4.5Å; F60-I128 HydrophobicContact CD1-CB 4.29Å; F60-I128 HydrophobicContact CD1-CD1 4.47Å; F60-I128 HydrophobicContact CD1-CG2 4.06Å; F60-I128 HydrophobicContact CE1-CG2 4.48Å; F60-L129 HydrophobicContact CE1-CD2 4.12Å; F60-L129 HydrophobicContact CE1-CG 4Å; F60-L129 HydrophobicContact CZ-CD1 4.31Å; F60-L129 HydrophobicContact CZ-CD2 4.46Å; F60-L129 HydrophobicContact CZ-CG 4.29Å
61Q93.3Very high92Very high132 Ų13255.3 Ų55.362%0.61728%0.283SS*.THydrogen-bonded Turntrans-108.9-47.9178.2-172.5170.9-2.500111.9D58 I63 Q64D58-Q61 HydrophobicContact CB-CB 4.24Å; D58-Q61 PolarHBondContact O-N 3.16Å; Q61-I63 PolarHBondContact O-N 3.03Å; Q61-Q64 WeakPolarHBondContact O-CB 3.29Å; Q61-Q64 WeakPolarHBondContact O-CG 3.36Å; Q61-Q64 PolarHBondContact O-N 3.07Å; Q61-Q64 VanDerWaalsContact O-N 3.11Å
62D93.9Very high92.8Very high53 Ų5347.5 Ų47.528%0.28324%0.241SC..THydrogen-bonded Turntrans-68.1-19.1-174.3-60.7-31.7000113I56 Q57 D58 V68I56-D62 WeakPolarHBondContact CA-OD2 3.17Å; I56-D62 HydrophobicContact CG2-CB 4.21Å; I56-D62 WeakPolarHBondContact CG2-OD2 3.41Å; Q57-D62 PolarHBondContact N-OD2 3.13Å; D58-D62 PolarHBondContact N-OD2 2.68Å; D58-D62 WeakPolarHBondContact O-CB 3.47Å; D58-D62 PolarHBondContact O-N 3.01Å; D62-V68 VanDerWaalsContact O-CG2 3.23Å; D62-V68 WeakPolarHBondContact O-CG2 3.12Å
63I93.8Very high93.2Very high0 Ų043.8 Ų43.80%022%0.217CC..THydrogen-bonded Turntrans-82-21.2176.5-77.5-179.1000113.1M43 L59 Q61 D65 G66 V68 L69 I120 I128 I132M43-I63 HydrophobicContact CE-CD1 3.86Å; M43-I63 HydrophobicContact CE-CG1 4.29Å; M43-I63 HydrophobicContact SD-CD1 4.11Å; L59-I63 HydrophobicContact CD1-CD1 3.65Å; L59-I63 HydrophobicContact CG-CD1 4.13Å; L59-I63 WeakPolarHBondContact O-CB 3.35Å; L59-I63 WeakPolarHBondContact O-CD1 3.09Å; L59-I63 WeakPolarHBondContact O-CG1 3.26Å; Q61-I63 PolarHBondContact O-N 3.03Å; I63-D65 PolarHBondContact O-N 3.38Å; I63-G66 PolarHBondContact O-N 2.71Å; I63-V68 HydrophobicContact CG1-CG1 4.48Å; I63-L69 HydrophobicContact CD1-CD2 4.22Å; I63-L69 HydrophobicContact CG1-CD2 4.46Å; I63-L69 HydrophobicContact CG1-CG 4.44Å; I63-L69 HydrophobicContact CG2-CD1 3.69Å; I63-L69 HydrophobicContact CG2-CD2 4.39Å; I63-L69 HydrophobicContact CG2-CG 3.97Å; I63-I120 HydrophobicContact CG2-CG2 3.61Å; I63-I128 HydrophobicContact CD1-CG2 3.83Å; I63-I128 HydrophobicContact CG2-CD1 4.48Å; I63-I132 HydrophobicContact CD1-CD1 3.93Å; I63-I132 HydrophobicContact CD1-CG1 4.1Å
64Q93.5Very high93.4Very high48 Ų4841.7 Ų41.722%0.22420%0.199CC..THydrogen-bonded Turntrans-66.3-10.5-163.7-65.6-175.59.600116.1F60 Q61 R94F60-Q64 VanDerWaalsContact O-CG 3.31Å; F60-Q64 WeakPolarHBondContact O-CG 3.24Å; F60-Q64 PolarHBondContact O-NE2 2.93Å; Q61-Q64 WeakPolarHBondContact O-CB 3.29Å; Q61-Q64 WeakPolarHBondContact O-CG 3.36Å; Q61-Q64 PolarHBondContact O-N 3.07Å; Q61-Q64 VanDerWaalsContact O-N 3.11Å; Q64-R94 WeakPolarHBondContact O-CB 3.49Å; Q64-R94 VanDerWaalsContact O-CD 3.26Å; Q64-R94 WeakPolarHBondContact O-CD 3.37Å; Q64-R94 PolarHBondContact O-NE 2.88Å; Q64-R94 VanDerWaalsContact O-NE 3.09Å
65D90.8Very high93.4Very high49 Ų4943 Ų4326%0.26221%0.205SC..THydrogen-bonded Turntrans-101.5-6.7176.584.1-20.2000114.5I63 Y67 R94 N97I63-D65 PolarHBondContact O-N 3.38Å; D65-Y67 VanDerWaalsContact C-N 3.3Å; D65-Y67 PolarHBondContact O-N 3.04Å; D65-Y67 WeakPolarHBondContact OD1-CB 3.39Å; D65-Y67 PolarHBondContact OD1-N 2.93Å; D65-R94 HydrophobicContact CB-CG 4.11Å; D65-N97 VanDerWaalsContact O-CB 3.23Å; D65-N97 WeakPolarHBondContact O-CB 3.13Å; D65-N97 PolarHBondContact O-ND2 3.05Å
66G92.4Very high93.3Very high0 Ų037.4 Ų37.40%018%0.179CC..SBendtrans79.7-5.8-176.600000115.6I63 M70I63-G66 PolarHBondContact O-N 2.71Å; G66-M70 WeakPolarHBondContact O-CG 3.29Å; G66-M70 PolarHBondContact O-N 2.98Å
67Y93.1Very high93Very high67 Ų6738.5 Ų38.526%0.26319%0.187SC..Hα-helixtrans-65.2-52.1-176.4-177.2-111.3000112L54 D65 L69 M70 A71 L82 F85L54-Y67 HydrophobicContact CD1-CD1 4.33Å; L54-Y67 HydrophobicContact CD1-CE1 3.64Å; L54-Y67 HydrophobicContact CD2-CE1 4Å; D65-Y67 VanDerWaalsContact C-N 3.3Å; D65-Y67 PolarHBondContact O-N 3.04Å; D65-Y67 WeakPolarHBondContact OD1-CB 3.39Å; D65-Y67 PolarHBondContact OD1-N 2.93Å; Y67-L69 VanDerWaalsContact C-N 3.26Å; Y67-L69 PolarHBondContact O-N 3.34Å; Y67-M70 PolarHBondContact O-N 3.34Å; Y67-M70 VanDerWaalsContact O-N 3.1Å; Y67-A71 PolarHBondContact O-N 3.06Å; Y67-L82 HydrophobicContact CD2-CD2 3.86Å; Y67-L82 HydrophobicContact CE2-CD2 3.59Å; Y67-F85 AromaticContact CD2-CD1 3.6Å; Y67-F85 HydrophobicContact CD2-CD1 3.6Å; Y67-F85 AromaticContact CD2-CD2 4Å; Y67-F85 HydrophobicContact CD2-CD2 4Å; Y67-F85 AromaticContact CD2-CE1 3.51Å; Y67-F85 HydrophobicContact CD2-CE1 3.51Å; Y67-F85 AromaticContact CD2-CE2 3.94Å; Y67-F85 HydrophobicContact CD2-CE2 3.94Å; Y67-F85 AromaticContact CD2-CG 3.84Å; Y67-F85 HydrophobicContact CD2-CG 3.84Å; Y67-F85 AromaticContact CD2-CZ 3.71Å; Y67-F85 HydrophobicContact CD2-CZ 3.71Å; Y67-F85 HydrophobicContact CE2-CD1 4.09Å; Y67-F85 HydrophobicContact CE2-CE1 4.19Å; Y67-F85 HydrophobicContact CG-CE1 4.17Å; Y67-F85 HydrophobicContact CG-CE2 4.22Å; Y67-F85 AromaticContact CG-CZ 3.98Å; Y67-F85 HydrophobicContact CG-CZ 3.98Å
68V94.1Very high92.7Very high16 Ų1633.6 Ų33.610%0.09718%0.183CC..Hα-helixtrans-60.6-37.3-179.5175.30000111.3M43 L47 I56 D62 I63 L72M43-V68 HydrophobicContact CE-CG1 3.86Å; L47-V68 HydrophobicContact CD1-CG1 3.71Å; I56-V68 HydrophobicContact CD1-CG1 3.63Å; I56-V68 HydrophobicContact CG1-CG1 3.81Å; D62-V68 VanDerWaalsContact O-CG2 3.23Å; D62-V68 WeakPolarHBondContact O-CG2 3.12Å; I63-V68 HydrophobicContact CG1-CG1 4.48Å; V68-L72 VanDerWaalsContact O-CB 3.28Å; V68-L72 WeakPolarHBondContact O-CB 3.35Å; V68-L72 PolarHBondContact O-N 3.34Å
69L94.3Very high92.4Very high0 Ų032.8 Ų32.80%018%0.181CC..Hα-helixtrans-68.6-39.5175-68.4174.8000112.5M43 I63 Y67 L73 V101 I120 L131 I132 I135M43-L69 HydrophobicContact CE-CD2 4.38Å; I63-L69 HydrophobicContact CD1-CD2 4.22Å; I63-L69 HydrophobicContact CG1-CD2 4.46Å; I63-L69 HydrophobicContact CG1-CG 4.44Å; I63-L69 HydrophobicContact CG2-CD1 3.69Å; I63-L69 HydrophobicContact CG2-CD2 4.39Å; I63-L69 HydrophobicContact CG2-CG 3.97Å; Y67-L69 VanDerWaalsContact C-N 3.26Å; Y67-L69 PolarHBondContact O-N 3.34Å; L69-L73 WeakPolarHBondContact O-CB 3.03Å; L69-L73 VanDerWaalsContact O-CG 3.27Å; L69-L73 WeakPolarHBondContact O-CG 3.32Å; L69-L73 PolarHBondContact O-N 3.29Å; L69-V101 HydrophobicContact CB-CB 4.48Å; L69-V101 HydrophobicContact CB-CG1 3.92Å; L69-V101 HydrophobicContact CB-CG2 3.89Å; L69-V101 HydrophobicContact CD1-CG1 4.07Å; L69-I120 HydrophobicContact CD1-CG2 4.16Å; L69-L131 HydrophobicContact CD1-CD2 3.75Å; L69-L131 HydrophobicContact CD2-CD2 4.18Å; L69-I132 HydrophobicContact CD2-CD1 3.6Å; L69-I135 HydrophobicContact CD2-CD1 4.26Å
70M93.6Very high91.9Very high3 Ų341.6 Ų41.62%0.01522%0.219CC..Hα-helixtrans-64.2-44.3173.9-73.7-176.4-173.600111.8G66 Y67 L73 E74 L81 L82 F85 N97 K100 V101G66-M70 WeakPolarHBondContact O-CG 3.29Å; G66-M70 PolarHBondContact O-N 2.98Å; Y67-M70 PolarHBondContact O-N 3.34Å; Y67-M70 VanDerWaalsContact O-N 3.1Å; M70-L73 PolarHBondContact O-N 2.9Å; M70-E74 WeakPolarHBondContact O-CB 3.28Å; M70-E74 PolarHBondContact O-N 3.37Å; M70-L81 HydrophobicContact CB-CB 4.17Å; M70-L81 HydrophobicContact CG-CB 4.33Å; M70-L82 HydrophobicContact CB-CD2 3.71Å; M70-L82 HydrophobicContact CB-CG 4.38Å; M70-F85 HydrophobicContact SD-CB 3.86Å; M70-F85 HydrophobicContact SD-CD2 4.01Å; M70-F85 HydrophobicContact SD-CG 4.42Å; M70-N97 HydrophobicContact CE-CB 3.78Å; M70-N97 WeakPolarHBondContact CE-O 3.28Å; M70-K100 HydrophobicContact CE-CB 4.07Å; M70-K100 HydrophobicContact CE-CD 4.06Å; M70-V101 HydrophobicContact CB-CG2 4.49Å; M70-V101 HydrophobicContact CE-CG2 4.38Å; M70-V101 HydrophobicContact CG-CG2 3.57Å
71A94Very high91.5Very high1 Ų140.7 Ų40.71%0.00822%0.216CC..Hα-helixtrans-62.9-47.2178.700000111.7L47 L54 Y67 L73 E74 E75 L82L47-A71 HydrophobicContact CD2-CB 3.93Å; L54-A71 HydrophobicContact CD1-CB 3.64Å; Y67-A71 PolarHBondContact O-N 3.06Å; A71-L73 VanDerWaalsContact C-N 3.33Å; A71-L73 PolarHBondContact O-N 2.99Å; A71-E74 PolarHBondContact O-N 3.45Å; A71-E75 PolarHBondContact O-N 3.29Å; A71-L82 HydrophobicContact CB-CD1 4.17Å; A71-L82 HydrophobicContact CB-CD2 4.16Å
72L94.7Very high91Very high0 Ų037 Ų370%020%0.2CC..Hα-helixtrans-57.9-44175.7176.968.4000112W42 M43 H46 L47 V68 E75 L76 I135W42-L72 HydrophobicContact CH2-CD1 4.42Å; W42-L72 HydrophobicContact CZ3-CD1 4.05Å; W42-L72 HydrophobicContact CZ3-CD2 4Å; M43-L72 HydrophobicContact CE-CD2 3.59Å; M43-L72 HydrophobicContact CG-CD2 4.02Å; M43-L72 HydrophobicContact SD-CD2 4.39Å; H46-L72 HydrophobicContact CB-CD1 3.75Å; L47-L72 HydrophobicContact CD2-CB 4.17Å; V68-L72 VanDerWaalsContact O-CB 3.28Å; V68-L72 WeakPolarHBondContact O-CB 3.35Å; V68-L72 PolarHBondContact O-N 3.34Å; L72-E75 PolarHBondContact O-N 3.5Å; L72-L76 HydrophobicContact CD1-CD1 3.78Å; L72-L76 HydrophobicContact CD1-CG 4.1Å; L72-L76 HydrophobicContact CD2-CD1 4.29Å; L72-L76 HydrophobicContact CG-CD1 3.68Å; L72-L76 HydrophobicContact CG-CG 4.35Å; L72-L76 WeakPolarHBondContact O-CB 3.2Å; L72-L76 WeakPolarHBondContact O-CG 3.25Å; L72-L76 PolarHBondContact O-N 3.23Å; L72-I135 HydrophobicContact CD2-CG2 4.39Å
73L92.4Very high90.2Very high0 Ų043.2 Ų43.20%023%0.227CC..Hα-helixtrans-75.2-28.2-179.4-69.8172.1000112.9L69 M70 A71 S77 L81 V101 F104 L105 I135 F139L69-L73 WeakPolarHBondContact O-CB 3.03Å; L69-L73 VanDerWaalsContact O-CG 3.27Å; L69-L73 WeakPolarHBondContact O-CG 3.32Å; L69-L73 PolarHBondContact O-N 3.29Å; M70-L73 PolarHBondContact O-N 2.9Å; A71-L73 VanDerWaalsContact C-N 3.33Å; A71-L73 PolarHBondContact O-N 2.99Å; L73-S77 VanDerWaalsContact O-CB 3.25Å; L73-S77 WeakPolarHBondContact O-CB 3.43Å; L73-S77 PolarHBondContact O-N 2.72Å; L73-S77 VanDerWaalsContact O-N 3.1Å; L73-S77 PolarHBondContact O-OG 3.31Å; L73-L81 HydrophobicContact CB-CD2 3.89Å; L73-L81 HydrophobicContact CD1-CD2 4.4Å; L73-V101 HydrophobicContact CD1-CB 4.49Å; L73-V101 HydrophobicContact CD1-CG1 3.74Å; L73-V101 HydrophobicContact CD1-CG2 4.48Å; L73-F104 HydrophobicContact CB-CD1 4.44Å; L73-F104 HydrophobicContact CB-CE1 4.28Å; L73-F104 HydrophobicContact CD1-CD1 4.22Å; L73-L105 HydrophobicContact CD1-CD1 4.22Å; L73-L105 HydrophobicContact CD1-CD2 4.12Å; L73-L105 HydrophobicContact CD1-CG 4.06Å; L73-L105 HydrophobicContact CD2-CD2 3.82Å; L73-I135 HydrophobicContact CD2-CD1 4.31Å; L73-I135 HydrophobicContact CD2-CG1 4.41Å; L73-I135 HydrophobicContact CD2-CG2 3.99Å; L73-F139 HydrophobicContact CD2-CD2 4.26Å; L73-F139 HydrophobicContact CD2-CE2 3.58Å; L73-F139 HydrophobicContact CD2-CZ 4.08Å
74E92.8Very high89.1Confident45 Ų4544.5 Ų44.521%0.2124%0.24CC..Hα-helixtrans-65.1-45.5170.6178.9151175.900111.1M70 A71 G78 C79 K80 L81 L82M70-E74 WeakPolarHBondContact O-CB 3.28Å; M70-E74 PolarHBondContact O-N 3.37Å; A71-E74 PolarHBondContact O-N 3.45Å; E74-G78 VanDerWaalsContact O-CA 3.29Å; E74-G78 WeakPolarHBondContact O-CA 3.27Å; E74-G78 PolarHBondContact O-N 2.92Å; E74-C79 VanDerWaalsContact CA-O 3.28Å; E74-C79 WeakPolarHBondContact CA-O 3.46Å; E74-C79 WeakPolarHBondContact CB-O 3.07Å; E74-C79 WeakPolarHBondContact CG-O 3.41Å; E74-K80 WeakPolarHBondContact OE2-CA 3.33Å; E74-L81 PolarHBondContact OE2-N 2.96Å; E74-L82 WeakPolarHBondContact OE2-CB 3.35Å; E74-L82 WeakPolarHBondContact OE2-CG 3.49Å; E74-L82 PolarHBondContact OE2-N 3.34Å
75E92.8Very high88.7Confident69 Ų6944.1 Ų44.132%0.32224%0.238SC..Hα-helixtrans-62.2-51.5173.1177.462.5-159.700112.3H46 K49 A71 L72 S77H46-E75 HydrophobicContact CB-CG 4.11Å; H46-E75 IonicContact CE1-OE1 2.74Å; K49-E75 WeakPolarHBondContact CD-OE1 3.38Å; A71-E75 PolarHBondContact O-N 3.29Å; L72-E75 PolarHBondContact O-N 3.5Å; E75-S77 VanDerWaalsContact C-N 3.29Å; E75-S77 PolarHBondContact O-N 3.44Å
76L90.6Very high88.4Confident29 Ų2946.9 Ų46.915%0.15225%0.248CC..Hα-helixtrans-68.3-22.6-176.1-71.4170.7000114.6W42 L72 I135 F139W42-L76 HydrophobicContact CH2-CD1 3.65Å; W42-L76 HydrophobicContact CH2-CD2 4.1Å; W42-L76 HydrophobicContact CH2-CG 4.49Å; W42-L76 HydrophobicContact CZ2-CD1 4.49Å; W42-L76 HydrophobicContact CZ2-CD2 4.17Å; W42-L76 HydrophobicContact CZ3-CD1 4.42Å; L72-L76 HydrophobicContact CD1-CD1 3.78Å; L72-L76 HydrophobicContact CD1-CG 4.1Å; L72-L76 HydrophobicContact CD2-CD1 4.29Å; L72-L76 HydrophobicContact CG-CD1 3.68Å; L72-L76 HydrophobicContact CG-CG 4.35Å; L72-L76 WeakPolarHBondContact O-CB 3.2Å; L72-L76 WeakPolarHBondContact O-CG 3.25Å; L72-L76 PolarHBondContact O-N 3.23Å; L76-I135 HydrophobicContact CD1-CG2 3.67Å; L76-F139 HydrophobicContact CB-CB 4.32Å; L76-F139 HydrophobicContact CB-CD1 4.03Å; L76-F139 HydrophobicContact CB-CG 4.05Å; L76-F139 HydrophobicContact CD1-CB 4.32Å; L76-F139 HydrophobicContact CD1-CD2 4.32Å; L76-F139 HydrophobicContact CD1-CG 4.33Å; L76-F139 HydrophobicContact CD2-CB 4.35Å
77S88.1Confident88Confident27 Ų2755.6 Ų55.619%0.18929%0.286CS..Hα-helixtrans-118.5-6.7-174.375.30000114.8L73 E75 C79 F104L73-S77 VanDerWaalsContact O-CB 3.25Å; L73-S77 WeakPolarHBondContact O-CB 3.43Å; L73-S77 PolarHBondContact O-N 2.72Å; L73-S77 VanDerWaalsContact O-N 3.1Å; L73-S77 PolarHBondContact O-OG 3.31Å; E75-S77 VanDerWaalsContact C-N 3.29Å; E75-S77 PolarHBondContact O-N 3.44Å; S77-C79 PolarHBondContact O-N 3.14Å; S77-C79 VanDerWaalsContact O-N 3.16Å; S77-C79 PolarHBondContact O-SG 3.12Å; S77-C79 WeakPolarHBondContact OG-CB 3.37Å; S77-C79 PolarHBondContact OG-N 2.86Å; S77-F104 WeakPolarHBondContact OG-CZ 3.5Å
78G86.1Confident87.4Confident69 Ų6954 Ų5471%0.71128%0.284SS*.  trans62.411.9-171.900000114.6E74E74-G78 VanDerWaalsContact O-CA 3.29Å; E74-G78 WeakPolarHBondContact O-CA 3.27Å; E74-G78 PolarHBondContact O-N 2.92Å
79C86.7Confident86.8Confident38 Ų3857.6 Ų57.626%0.25732%0.316SS..  trans-104.4133.5-173.9-630000111.2E74 S77 L81 F104 R108E74-C79 VanDerWaalsContact CA-O 3.28Å; E74-C79 WeakPolarHBondContact CA-O 3.46Å; E74-C79 WeakPolarHBondContact CB-O 3.07Å; E74-C79 WeakPolarHBondContact CG-O 3.41Å; S77-C79 PolarHBondContact O-N 3.14Å; S77-C79 VanDerWaalsContact O-N 3.16Å; S77-C79 PolarHBondContact O-SG 3.12Å; S77-C79 WeakPolarHBondContact OG-CB 3.37Å; S77-C79 PolarHBondContact OG-N 2.86Å; C79-L81 HydrophobicContact CB-CD1 4.09Å; C79-L81 WeakPolarHBondContact O-CD1 3.32Å; C79-L81 PolarHBondContact O-N 2.78Å; C79-L81 VanDerWaalsContact O-N 3.14Å; C79-F104 HydrophobicContact CB-CE2 4.17Å; C79-F104 HydrophobicContact CB-CZ 4.15Å; C79-R108 PolarHBondContact SG-NH2 3.35Å
80K85.4Confident86.5Confident185 Ų18564 Ų6480%0.80435%0.346SS*.  trans-75105.5-175.6-59.4-166.8176.1-171.30112.3E74E74-K80 WeakPolarHBondContact OE2-CA 3.33Å
81L84.9Confident86.4Confident24 Ų2469 Ų6913%0.12636%0.364CS..  trans-103.1-36.1176.3-85.172.9000111.8M70 L73 E74 C79 H83 G84 F104M70-L81 HydrophobicContact CB-CB 4.17Å; M70-L81 HydrophobicContact CG-CB 4.33Å; L73-L81 HydrophobicContact CB-CD2 3.89Å; L73-L81 HydrophobicContact CD1-CD2 4.4Å; E74-L81 PolarHBondContact OE2-N 2.96Å; C79-L81 HydrophobicContact CB-CD1 4.09Å; C79-L81 WeakPolarHBondContact O-CD1 3.32Å; C79-L81 PolarHBondContact O-N 2.78Å; C79-L81 VanDerWaalsContact O-N 3.14Å; L81-H83 PolarHBondContact O-N 3.5Å; L81-H83 VanDerWaalsContact O-N 3.15Å; L81-G84 PolarHBondContact O-N 3.32Å; L81-F104 HydrophobicContact CD1-CD1 4.46Å; L81-F104 HydrophobicContact CD1-CD2 4.04Å; L81-F104 HydrophobicContact CD1-CE1 4.27Å; L81-F104 HydrophobicContact CD1-CE2 3.82Å; L81-F104 HydrophobicContact CD1-CG 4.34Å; L81-F104 HydrophobicContact CD1-CZ 3.94Å; L81-F104 HydrophobicContact CD2-CB 4.28Å; L81-F104 HydrophobicContact CD2-CD1 3.97Å; L81-F104 HydrophobicContact CD2-CD2 4.44Å; L81-F104 HydrophobicContact CD2-CE1 4.42Å; L81-F104 HydrophobicContact CD2-CG 3.97Å; L81-F104 HydrophobicContact CG-CD2 4.49Å; L81-F104 HydrophobicContact CG-CG 4.5Å
82L83.1Confident86.2Confident54 Ų5474.9 Ų74.928%0.28339%0.394SS..G310 helixtrans-62.2-25.7-172.2-71.6172.2000113.6Y67 M70 A71 E74 G84 F85Y67-L82 HydrophobicContact CD2-CD2 3.86Å; Y67-L82 HydrophobicContact CE2-CD2 3.59Å; M70-L82 HydrophobicContact CB-CD2 3.71Å; M70-L82 HydrophobicContact CB-CG 4.38Å; A71-L82 HydrophobicContact CB-CD1 4.17Å; A71-L82 HydrophobicContact CB-CD2 4.16Å; E74-L82 WeakPolarHBondContact OE2-CB 3.35Å; E74-L82 WeakPolarHBondContact OE2-CG 3.49Å; E74-L82 PolarHBondContact OE2-N 3.34Å; L82-G84 PolarHBondContact O-N 2.98Å; L82-G84 VanDerWaalsContact O-N 3.17Å; L82-F85 VanDerWaalsContact O-CB 3.24Å; L82-F85 WeakPolarHBondContact O-CB 3.26Å; L82-F85 PolarHBondContact O-N 2.95Å
83H76.4Confident86.1Confident183 Ų18378.8 Ų78.885%0.84741%0.411SS*.G310 helixtrans-58.8-25.7171.8-175.468.3000112.9L81L81-H83 PolarHBondContact O-N 3.5Å; L81-H83 VanDerWaalsContact O-N 3.15Å
84G71.8Confident86Confident27 Ų2781.2 Ų81.228%0.27842%0.42SS..G310 helixtrans-84.3-5.6175.900000115.1L81 L82 K100L81-G84 PolarHBondContact O-N 3.32Å; L82-G84 PolarHBondContact O-N 2.98Å; L82-G84 VanDerWaalsContact O-N 3.17Å; G84-K100 PolarHBondContact O-NZ 3.13Å
85F85.4Confident86.1Confident40 Ų4080.8 Ų80.818%0.17542%0.419CS..  trans-70.6136.3-172.6-180-114.2000112.9Y67 M70 L82 K87 N97Y67-F85 AromaticContact CD2-CD1 3.6Å; Y67-F85 HydrophobicContact CD2-CD1 3.6Å; Y67-F85 AromaticContact CD2-CD2 4Å; Y67-F85 HydrophobicContact CD2-CD2 4Å; Y67-F85 AromaticContact CD2-CE1 3.51Å; Y67-F85 HydrophobicContact CD2-CE1 3.51Å; Y67-F85 AromaticContact CD2-CE2 3.94Å; Y67-F85 HydrophobicContact CD2-CE2 3.94Å; Y67-F85 AromaticContact CD2-CG 3.84Å; Y67-F85 HydrophobicContact CD2-CG 3.84Å; Y67-F85 AromaticContact CD2-CZ 3.71Å; Y67-F85 HydrophobicContact CD2-CZ 3.71Å; Y67-F85 HydrophobicContact CE2-CD1 4.09Å; Y67-F85 HydrophobicContact CE2-CE1 4.19Å; Y67-F85 HydrophobicContact CG-CE1 4.17Å; Y67-F85 HydrophobicContact CG-CE2 4.22Å; Y67-F85 AromaticContact CG-CZ 3.98Å; Y67-F85 HydrophobicContact CG-CZ 3.98Å; M70-F85 HydrophobicContact SD-CB 3.86Å; M70-F85 HydrophobicContact SD-CD2 4.01Å; M70-F85 HydrophobicContact SD-CG 4.42Å; L82-F85 VanDerWaalsContact O-CB 3.24Å; L82-F85 WeakPolarHBondContact O-CB 3.26Å; L82-F85 PolarHBondContact O-N 2.95Å; F85-K87 HydrophobicContact CD1-CB 4.3Å; F85-K87 HydrophobicContact CE1-CB 3.57Å; F85-K87 HydrophobicContact CE1-CG 4.1Å; F85-K87 HydrophobicContact CZ-CB 4.2Å; F85-K87 HydrophobicContact CZ-CG 4.49Å; F85-N97 HydrophobicContact CD2-CB 4.31Å; F85-N97 HydrophobicContact CE2-CB 4.41Å; F85-N97 WeakPolarHBondContact CE2-ND2 3.38Å
86K83.3Confident86.1Confident107 Ų10781 Ų8147%0.46542%0.423SS..  trans-116.598.5173-68.8-179.3177.6176.40110.1S88 F93 N97K86-S88 PolarHBondContact O-N 3.05Å; K86-F93 HydrophobicContact CB-CD1 4.13Å; K86-F93 HydrophobicContact CD-CD1 4.3Å; K86-N97 PolarHBondContact N-OD1 3.25Å; K86-N97 PolarHBondContact O-ND2 3.18Å
87K83.8Confident86.2Confident184 Ų18479.7 Ų79.780%0.842%0.416SS*.  trans-64.5117.3174.8-166.3166.6-174.8165.40110.3F85F85-K87 HydrophobicContact CD1-CB 4.3Å; F85-K87 HydrophobicContact CE1-CB 3.57Å; F85-K87 HydrophobicContact CE1-CG 4.1Å; F85-K87 HydrophobicContact CZ-CB 4.2Å; F85-K87 HydrophobicContact CZ-CG 4.49Å
88S81.7Confident86.6Confident32 Ų3278.4 Ų78.422%0.22441%0.407CS..  trans-163.9140.9178.8174.20000110.6K86 H90 F93K86-S88 PolarHBondContact O-N 3.05Å; S88-H90 VanDerWaalsContact C-N 3.29Å; S88-H90 PolarHBondContact O-N 2.88Å; S88-H90 PolarHBondContact OG-N 3.24Å; S88-F93 VanDerWaalsContact OG-CD2 3.28Å; S88-F93 WeakPolarHBondContact OG-CD2 3.32Å
89A80.9Confident86.9Confident92 Ų9277 Ų7776%0.7639%0.388SS*.SBendtrans-71.9-22.917600000112.9R91 R94A89-R91 PolarHBondContact O-N 3.37Å; A89-R94 PolarHBondContact O-NH1 3.24Å
90H88Confident87.2Confident136 Ų13678.9 Ų78.963%0.6339%0.392SS*.SBendtrans-73.2125.4-175.8-65.9-80.5000111.7S88 I92 F93S88-H90 VanDerWaalsContact C-N 3.29Å; S88-H90 PolarHBondContact O-N 2.88Å; S88-H90 PolarHBondContact OG-N 3.24Å; H90-I92 HydrophobicContact CB-CG2 4.46Å; H90-I92 PolarHBondContact O-N 2.94Å; H90-F93 HydrophobicContact CB-CD2 3.88Å; H90-F93 HydrophobicContact CB-CE2 4.28Å; H90-F93 PolarHBondContact O-N 2.97Å
91R91.3Very high87.6Confident107 Ų10770.1 Ų70.140%0.40435%0.354SS..Hα-helixtrans-46-38.4-177.9-174.1174.1176.6-104.410.9114.2A89 F93 R94 L95 D122A89-R91 PolarHBondContact O-N 3.37Å; R91-F93 VanDerWaalsContact C-N 3.26Å; R91-F93 PolarHBondContact O-N 2.91Å; R91-R94 WeakPolarHBondContact O-CB 3.41Å; R91-R94 PolarHBondContact O-N 3.47Å; R91-R94 VanDerWaalsContact O-N 3.1Å; R91-L95 HydrophobicContact CG-CD1 4.2Å; R91-L95 HydrophobicContact CG-CG 4.27Å; R91-L95 WeakPolarHBondContact O-CG 3.39Å; R91-L95 PolarHBondContact O-N 2.73Å; R91-D122 IonicContact CZ-OD1 2.83Å; R91-D122 VanDerWaalsContact CZ-OD1 3.31Å; R91-D122 IonicContact CZ-OD2 3.31Å; R91-D122 IonicContact NE-OD1 2.72Å; R91-D122 PolarHBondContact NE-OD1 3.16Å; R91-D122 IonicContact NE-OD2 2.73Å; R91-D122 VanDerWaalsContact NH2-CG 3.26Å; R91-D122 IonicContact NH2-OD1 3.65Å; R91-D122 PolarHBondContact NH2-OD1 2.83Å; R91-D122 IonicContact NH2-OD2 3.07Å; R91-D122 PolarHBondContact NH2-OD2 3.5Å
92I91.1Very high88Confident125 Ų12569.6 Ų69.664%0.64135%0.351SS*.Hα-helixtrans-61.5-28.7179.5-164.1165.3000114.3H90 N96H90-I92 HydrophobicContact CB-CG2 4.46Å; H90-I92 PolarHBondContact O-N 2.94Å; I92-N96 PolarHBondContact O-N 3.24Å; I92-N96 VanDerWaalsContact O-N 3.14Å
93F90.7Very high88.5Confident81 Ų8169.6 Ų69.636%0.35536%0.356SS..Hα-helixtrans-79.9-37.5173.9-67.9-99.7000111.4K86 S88 H90 R91 N96 N97K86-F93 HydrophobicContact CB-CD1 4.13Å; K86-F93 HydrophobicContact CD-CD1 4.3Å; S88-F93 VanDerWaalsContact OG-CD2 3.28Å; S88-F93 WeakPolarHBondContact OG-CD2 3.32Å; H90-F93 HydrophobicContact CB-CD2 3.88Å; H90-F93 HydrophobicContact CB-CE2 4.28Å; H90-F93 PolarHBondContact O-N 2.97Å; R91-F93 VanDerWaalsContact C-N 3.26Å; R91-F93 PolarHBondContact O-N 2.91Å; F93-N96 PolarHBondContact O-N 3.47Å; F93-N96 VanDerWaalsContact O-N 3.11Å; F93-N97 VanDerWaalsContact O-CG 3.25Å; F93-N97 PolarHBondContact O-N 3.34Å; F93-N97 PolarHBondContact O-ND2 3.42Å
94R92.1Very high89.2Confident52 Ų5261.9 Ų61.920%0.19632%0.32CS..Hα-helixtrans-58.4-48.2171.9-54.2-158.9-44.4-11111.8110.8Q64 D65 A89 R91 N96 N97 I98 A121Q64-R94 WeakPolarHBondContact O-CB 3.49Å; Q64-R94 VanDerWaalsContact O-CD 3.26Å; Q64-R94 WeakPolarHBondContact O-CD 3.37Å; Q64-R94 PolarHBondContact O-NE 2.88Å; Q64-R94 VanDerWaalsContact O-NE 3.09Å; D65-R94 HydrophobicContact CB-CG 4.11Å; A89-R94 PolarHBondContact O-NH1 3.24Å; R91-R94 WeakPolarHBondContact O-CB 3.41Å; R91-R94 PolarHBondContact O-N 3.47Å; R91-R94 VanDerWaalsContact O-N 3.1Å; R94-N96 VanDerWaalsContact C-N 3.3Å; R94-N96 PolarHBondContact O-N 3.04Å; R94-N97 PolarHBondContact O-N 2.77Å; R94-I98 WeakPolarHBondContact O-CB 3.5Å; R94-I98 WeakPolarHBondContact O-CG1 3.28Å; R94-I98 PolarHBondContact O-N 3.17Å; R94-A121 PolarHBondContact NH2-O 3.07Å
95L94.1Very high90.1Very high36 Ų3660.6 Ų60.619%0.18831%0.307CS..Hα-helixtrans-55.9-41.6171.8-66.7173000112.1R91 A99 A117 V118 A121R91-L95 HydrophobicContact CG-CD1 4.2Å; R91-L95 HydrophobicContact CG-CG 4.27Å; R91-L95 WeakPolarHBondContact O-CG 3.39Å; R91-L95 PolarHBondContact O-N 2.73Å; L95-A99 WeakPolarHBondContact O-CB 3.4Å; L95-A99 PolarHBondContact O-N 2.68Å; L95-A117 HydrophobicContact CD2-CB 4.3Å; L95-A117 VanDerWaalsContact CD2-O 3.31Å; L95-A117 WeakPolarHBondContact CD2-O 3.47Å; L95-V118 HydrophobicContact CD2-CB 4.47Å; L95-V118 HydrophobicContact CD2-CG2 4Å; L95-A121 HydrophobicContact CD2-CB 3.59Å; L95-A121 HydrophobicContact CG-CB 4.25Å
96N93.2Very high90.3Very high73 Ų7364 Ų6439%0.3932%0.323SS..Hα-helixtrans-69.5-35.9177.4-169.4-110.3000113.3I92 F93 R94 K100I92-N96 PolarHBondContact O-N 3.24Å; I92-N96 VanDerWaalsContact O-N 3.14Å; F93-N96 PolarHBondContact O-N 3.47Å; F93-N96 VanDerWaalsContact O-N 3.11Å; R94-N96 VanDerWaalsContact C-N 3.3Å; R94-N96 PolarHBondContact O-N 3.04Å; N96-K100 WeakPolarHBondContact O-CG 3.33Å; N96-K100 PolarHBondContact O-N 3.05Å
97N92.9Very high90.5Very high1 Ų165.9 Ų65.91%0.00533%0.334CS..Hα-helixtrans-67.3-49.3174.6-65.7-29.3000110.2D65 M70 F85 K86 F93 R94 A99 K100 V101D65-N97 VanDerWaalsContact O-CB 3.23Å; D65-N97 WeakPolarHBondContact O-CB 3.13Å; D65-N97 PolarHBondContact O-ND2 3.05Å; M70-N97 HydrophobicContact CE-CB 3.78Å; M70-N97 WeakPolarHBondContact CE-O 3.28Å; F85-N97 HydrophobicContact CD2-CB 4.31Å; F85-N97 HydrophobicContact CE2-CB 4.41Å; F85-N97 WeakPolarHBondContact CE2-ND2 3.38Å; K86-N97 PolarHBondContact N-OD1 3.25Å; K86-N97 PolarHBondContact O-ND2 3.18Å; F93-N97 VanDerWaalsContact O-CG 3.25Å; F93-N97 PolarHBondContact O-N 3.34Å; F93-N97 PolarHBondContact O-ND2 3.42Å; R94-N97 PolarHBondContact O-N 2.77Å; N97-A99 PolarHBondContact O-N 2.86Å; N97-K100 WeakPolarHBondContact O-CB 3.2Å; N97-K100 PolarHBondContact O-N 2.97Å; N97-V101 PolarHBondContact O-N 2.85Å
98I94.7Very high90.4Very high0 Ų061.8 Ų61.80%031%0.313CS..Hα-helixtrans-63.1-41.4178.7-65.7160.9000110.8R94 K100 V101 L102 A117 I120 A121R94-I98 WeakPolarHBondContact O-CB 3.5Å; R94-I98 WeakPolarHBondContact O-CG1 3.28Å; R94-I98 PolarHBondContact O-N 3.17Å; I98-K100 VanDerWaalsContact C-N 3.26Å; I98-K100 PolarHBondContact O-N 3.41Å; I98-V101 WeakPolarHBondContact O-CA 3.49Å; I98-V101 VanDerWaalsContact O-CB 3.3Å; I98-V101 WeakPolarHBondContact O-CB 3.49Å; I98-V101 PolarHBondContact O-N 2.96Å; I98-L102 HydrophobicContact CG2-CD1 4.2Å; I98-L102 HydrophobicContact CG2-CG 4.2Å; I98-L102 WeakPolarHBondContact O-CG 3.43Å; I98-L102 PolarHBondContact O-N 2.81Å; I98-A117 HydrophobicContact CB-CB 4.15Å; I98-A117 HydrophobicContact CG2-CB 3.75Å; I98-I120 HydrophobicContact CD1-CB 4.16Å; I98-I120 HydrophobicContact CD1-CG2 3.78Å; I98-I120 HydrophobicContact CG1-CG2 4.19Å; I98-I120 HydrophobicContact CG2-CB 4.02Å; I98-I120 HydrophobicContact CG2-CD1 3.59Å; I98-I120 HydrophobicContact CG2-CG1 4.44Å; I98-I120 HydrophobicContact CG2-CG2 4.03Å; I98-A121 HydrophobicContact CD1-CB 3.76Å
99A93.9Very high90.4Very high39 Ų3965.7 Ų65.732%0.32233%0.331SS..Hα-helixtrans-55.8-38.917600000112.7L95 N97 L102 S103L95-A99 WeakPolarHBondContact O-CB 3.4Å; L95-A99 PolarHBondContact O-N 2.68Å; N97-A99 PolarHBondContact O-N 2.86Å; A99-L102 PolarHBondContact O-N 3.46Å; A99-S103 PolarHBondContact O-N 3.47Å; A99-S103 PolarHBondContact O-OG 3.23Å
100K92.8Very high90.5Very high79 Ų7961.9 Ų61.934%0.34330%0.299SS..Hα-helixtrans-65.8-37.8174.5-65.4172.1-174-166.30112.9M70 G84 N96 N97 I98 L102 F104M70-K100 HydrophobicContact CE-CB 4.07Å; M70-K100 HydrophobicContact CE-CD 4.06Å; G84-K100 PolarHBondContact O-NZ 3.13Å; N96-K100 WeakPolarHBondContact O-CG 3.33Å; N96-K100 PolarHBondContact O-N 3.05Å; N97-K100 WeakPolarHBondContact O-CB 3.2Å; N97-K100 PolarHBondContact O-N 2.97Å; I98-K100 VanDerWaalsContact C-N 3.26Å; I98-K100 PolarHBondContact O-N 3.41Å; K100-L102 VanDerWaalsContact C-N 3.35Å; K100-F104 WeakPolarHBondContact O-CB 3.26Å; K100-F104 PolarHBondContact O-N 3.45Å
101V94.1Very high90Very high0 Ų056.8 Ų56.80%028%0.275CS..Hα-helixtrans-61.6-45.4173.8159.80000110.4L69 M70 L73 N97 I98 F104 L105L69-V101 HydrophobicContact CB-CB 4.48Å; L69-V101 HydrophobicContact CB-CG1 3.92Å; L69-V101 HydrophobicContact CB-CG2 3.89Å; L69-V101 HydrophobicContact CD1-CG1 4.07Å; M70-V101 HydrophobicContact CB-CG2 4.49Å; M70-V101 HydrophobicContact CE-CG2 4.38Å; M70-V101 HydrophobicContact CG-CG2 3.57Å; L73-V101 HydrophobicContact CD1-CB 4.49Å; L73-V101 HydrophobicContact CD1-CG1 3.74Å; L73-V101 HydrophobicContact CD1-CG2 4.48Å; N97-V101 PolarHBondContact O-N 2.85Å; I98-V101 WeakPolarHBondContact O-CA 3.49Å; I98-V101 VanDerWaalsContact O-CB 3.3Å; I98-V101 WeakPolarHBondContact O-CB 3.49Å; I98-V101 PolarHBondContact O-N 2.96Å; V101-F104 PolarHBondContact O-N 2.91Å; V101-L105 HydrophobicContact CG1-CD1 4.07Å; V101-L105 VanDerWaalsContact O-CG 3.28Å; V101-L105 WeakPolarHBondContact O-CG 3.38Å; V101-L105 PolarHBondContact O-N 2.92Å; V101-L105 VanDerWaalsContact O-N 3.13Å
102L93.7Very high89.6Confident13 Ų1352.9 Ų52.97%0.06826%0.262CS..Hα-helixtrans-65.1-46.9178.3-59.1-178.8000111.2I98 A99 K100 F104 L105 E106 L112 I115 A117 I120 L131I98-L102 HydrophobicContact CG2-CD1 4.2Å; I98-L102 HydrophobicContact CG2-CG 4.2Å; I98-L102 WeakPolarHBondContact O-CG 3.43Å; I98-L102 PolarHBondContact O-N 2.81Å; A99-L102 PolarHBondContact O-N 3.46Å; K100-L102 VanDerWaalsContact C-N 3.35Å; L102-F104 PolarHBondContact O-N 3.32Å; L102-L105 WeakPolarHBondContact O-CB 3.22Å; L102-L105 PolarHBondContact O-N 3.32Å; L102-L105 VanDerWaalsContact O-N 3.07Å; L102-E106 WeakPolarHBondContact O-CG 3.32Å; L102-E106 PolarHBondContact O-N 2.98Å; L102-L112 HydrophobicContact CB-CD1 3.57Å; L102-L112 HydrophobicContact CD2-CD1 3.7Å; L102-L112 HydrophobicContact CD2-CD2 4.3Å; L102-L112 HydrophobicContact CG-CD1 4.12Å; L102-L112 WeakPolarHBondContact O-CD1 3.29Å; L102-I115 HydrophobicContact CD2-CG2 4.23Å; L102-A117 HydrophobicContact CD1-CB 3.99Å; L102-I120 HydrophobicContact CD1-CD1 4.16Å; L102-I120 HydrophobicContact CD2-CD1 3.76Å; L102-I120 HydrophobicContact CG-CD1 4.39Å; L102-L131 HydrophobicContact CD2-CD1 3.98Å
103S91.9Very high88.9Confident55 Ų5552 Ų5239%0.38526%0.262SS..Hα-helixtrans-61.1-39176.3-59.80000113.3A99 L105 E106 E107A99-S103 PolarHBondContact O-N 3.47Å; A99-S103 PolarHBondContact O-OG 3.23Å; S103-L105 VanDerWaalsContact C-N 3.29Å; S103-L105 PolarHBondContact O-N 3.43Å; S103-E106 PolarHBondContact O-N 2.75Å; S103-E107 WeakPolarHBondContact O-CG 3.38Å; S103-E107 PolarHBondContact O-N 3.42Å
104F91.4Very high88.5Confident21 Ų2152.9 Ų52.99%0.09228%0.278CS..Hα-helixtrans-63.1-36.2174.2178.2-98.2000112.4L73 S77 C79 L81 K100 V101 L102 R108 F139L73-F104 HydrophobicContact CB-CD1 4.44Å; L73-F104 HydrophobicContact CB-CE1 4.28Å; L73-F104 HydrophobicContact CD1-CD1 4.22Å; S77-F104 WeakPolarHBondContact OG-CZ 3.5Å; C79-F104 HydrophobicContact CB-CE2 4.17Å; C79-F104 HydrophobicContact CB-CZ 4.15Å; L81-F104 HydrophobicContact CD1-CD1 4.46Å; L81-F104 HydrophobicContact CD1-CD2 4.04Å; L81-F104 HydrophobicContact CD1-CE1 4.27Å; L81-F104 HydrophobicContact CD1-CE2 3.82Å; L81-F104 HydrophobicContact CD1-CG 4.34Å; L81-F104 HydrophobicContact CD1-CZ 3.94Å; L81-F104 HydrophobicContact CD2-CB 4.28Å; L81-F104 HydrophobicContact CD2-CD1 3.97Å; L81-F104 HydrophobicContact CD2-CD2 4.44Å; L81-F104 HydrophobicContact CD2-CE1 4.42Å; L81-F104 HydrophobicContact CD2-CG 3.97Å; L81-F104 HydrophobicContact CG-CD2 4.49Å; L81-F104 HydrophobicContact CG-CG 4.5Å; K100-F104 WeakPolarHBondContact O-CB 3.26Å; K100-F104 PolarHBondContact O-N 3.45Å; V101-F104 PolarHBondContact O-N 2.91Å; L102-F104 PolarHBondContact O-N 3.32Å; F104-R108 HydrophobicContact CE1-CG 4.33Å; F104-R108 HydrophobicContact CZ-CG 4.33Å; F104-R108 VanDerWaalsContact O-CG 3.3Å; F104-R108 WeakPolarHBondContact O-CG 2.98Å; F104-R108 PolarHBondContact O-N 3.14Å; F104-F139 HydrophobicContact CE1-CZ 4.3Å
105L90.6Very high88.3Confident0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-69.2-40175.1-70.9169.4000111.3L73 V101 L102 S103 R108 N109 V110 L112 L131 I135 F139L73-L105 HydrophobicContact CD1-CD1 4.22Å; L73-L105 HydrophobicContact CD1-CD2 4.12Å; L73-L105 HydrophobicContact CD1-CG 4.06Å; L73-L105 HydrophobicContact CD2-CD2 3.82Å; V101-L105 HydrophobicContact CG1-CD1 4.07Å; V101-L105 VanDerWaalsContact O-CG 3.28Å; V101-L105 WeakPolarHBondContact O-CG 3.38Å; V101-L105 PolarHBondContact O-N 2.92Å; V101-L105 VanDerWaalsContact O-N 3.13Å; L102-L105 WeakPolarHBondContact O-CB 3.22Å; L102-L105 PolarHBondContact O-N 3.32Å; L102-L105 VanDerWaalsContact O-N 3.07Å; S103-L105 VanDerWaalsContact C-N 3.29Å; S103-L105 PolarHBondContact O-N 3.43Å; L105-R108 CarbonylContact O-C 3.57Å; L105-R108 PolarHBondContact O-N 3.15Å; L105-N109 PolarHBondContact O-N 3.27Å; L105-V110 HydrophobicContact CB-CB 3.97Å; L105-V110 HydrophobicContact CB-CG1 4.43Å; L105-V110 HydrophobicContact CB-CG2 4.26Å; L105-V110 HydrophobicContact CD2-CB 4.24Å; L105-V110 HydrophobicContact CD2-CG1 4.3Å; L105-V110 HydrophobicContact CD2-CG2 3.83Å; L105-V110 VanDerWaalsContact O-CB 3.23Å; L105-V110 WeakPolarHBondContact O-CB 3.44Å; L105-V110 WeakPolarHBondContact O-CG2 3.31Å; L105-V110 PolarHBondContact O-N 3.43Å; L105-L112 HydrophobicContact CB-CD1 4.2Å; L105-L112 HydrophobicContact CB-CD2 4.45Å; L105-L112 HydrophobicContact CD1-CD2 4.24Å; L105-L131 HydrophobicContact CD1-CD1 3.76Å; L105-I135 HydrophobicContact CD1-CD1 4.13Å; L105-I135 HydrophobicContact CD1-CG1 4.04Å; L105-I135 HydrophobicContact CD2-CG1 3.97Å; L105-F139 HydrophobicContact CD2-CE2 3.97Å
106E89.5Confident88.2Confident112 Ų11254.4 Ų54.452%0.52329%0.291SS..Hα-helixtrans-63.7-45.6174.4-69.3168.916100112.3L102 S103 R108 N109 L112L102-E106 WeakPolarHBondContact O-CG 3.32Å; L102-E106 PolarHBondContact O-N 2.98Å; S103-E106 PolarHBondContact O-N 2.75Å; E106-R108 PolarHBondContact O-N 2.86Å; E106-N109 WeakPolarHBondContact O-CA 3.45Å; E106-N109 PolarHBondContact O-N 3.38Å; E106-L112 HydrophobicContact CG-CD1 3.87Å
107E87.5Confident88.2Confident145 Ų14551.8 Ų51.868%0.67828%0.279SS*.Hα-helixtrans-54.4-36.2172.8-76173.4-166.200111.8S103 N109S103-E107 WeakPolarHBondContact O-CG 3.38Å; S103-E107 PolarHBondContact O-N 3.42Å; E107-N109 VanDerWaalsContact C-N 3.27Å; E107-N109 PolarHBondContact O-N 3.5Å; E107-N109 PolarHBondContact O-ND2 3.4Å
108R82.8Confident88.2Confident98 Ų9854.9 Ų54.937%0.3730%0.297SS..THydrogen-bonded Turntrans-82.34176-64.4-63.5-178.81362.1114.2C79 F104 L105 E106 V110 F138C79-R108 PolarHBondContact SG-NH2 3.35Å; F104-R108 HydrophobicContact CE1-CG 4.33Å; F104-R108 HydrophobicContact CZ-CG 4.33Å; F104-R108 VanDerWaalsContact O-CG 3.3Å; F104-R108 WeakPolarHBondContact O-CG 2.98Å; F104-R108 PolarHBondContact O-N 3.14Å; L105-R108 CarbonylContact O-C 3.57Å; L105-R108 PolarHBondContact O-N 3.15Å; E106-R108 PolarHBondContact O-N 2.86Å; R108-V110 HydrophobicContact CB-CG2 4.24Å; R108-V110 PolarHBondContact O-N 3.05Å; R108-F138 HydrophobicContact CB-CE1 4.26Å; R108-F138 HydrophobicContact CB-CZ 4.14Å; R108-F138 WeakPolarHBondContact O-CE2 3.47Å; R108-F138 WeakPolarHBondContact O-CZ 3.2Å
109N80.9Confident88.2Confident114 Ų11456.9 Ų56.961%0.6131%0.308SS*.THydrogen-bonded Turntrans61.628.4-176.8-63.5-113.1000113.5L105 E106 E107L105-N109 PolarHBondContact O-N 3.27Å; E106-N109 WeakPolarHBondContact O-CA 3.45Å; E106-N109 PolarHBondContact O-N 3.38Å; E107-N109 VanDerWaalsContact C-N 3.27Å; E107-N109 PolarHBondContact O-N 3.5Å; E107-N109 PolarHBondContact O-ND2 3.4Å
110V83.3Confident88.2Confident12 Ų1255 Ų557%0.07329%0.293CS..  trans-72.8150.5162-171.90000108.1L105 R108 N134 F138L105-V110 HydrophobicContact CB-CB 3.97Å; L105-V110 HydrophobicContact CB-CG1 4.43Å; L105-V110 HydrophobicContact CB-CG2 4.26Å; L105-V110 HydrophobicContact CD2-CB 4.24Å; L105-V110 HydrophobicContact CD2-CG1 4.3Å; L105-V110 HydrophobicContact CD2-CG2 3.83Å; L105-V110 VanDerWaalsContact O-CB 3.23Å; L105-V110 WeakPolarHBondContact O-CB 3.44Å; L105-V110 WeakPolarHBondContact O-CG2 3.31Å; L105-V110 PolarHBondContact O-N 3.43Å; R108-V110 HydrophobicContact CB-CG2 4.24Å; R108-V110 PolarHBondContact O-N 3.05Å; V110-N134 HydrophobicContact CG1-CB 4.06Å; V110-F138 HydrophobicContact CG2-CB 3.94Å; V110-F138 HydrophobicContact CG2-CD1 3.96Å; V110-F138 HydrophobicContact CG2-CD2 3.68Å; V110-F138 HydrophobicContact CG2-CE1 4.38Å; V110-F138 HydrophobicContact CG2-CE2 4.11Å; V110-F138 HydrophobicContact CG2-CG 3.59Å; V110-F138 HydrophobicContact CG2-CZ 4.45Å
111K76.7Confident88.2Confident30 Ų3051.3 Ų51.313%0.1328%0.277CS..  trans-104.4127.2179.8-84.3-170.4-178145.30112.9V113 N134 S181 A182 T185K111-V113 HydrophobicContact CB-CG2 4.37Å; K111-V113 HydrophobicContact CD-CG2 4.33Å; K111-N134 PolarHBondContact O-ND2 2.94Å; K111-S181 WeakPolarHBondContact CE-O 3.43Å; K111-S181 PolarHBondContact NZ-O 3.15Å; K111-A182 VanDerWaalsContact NZ-CA 3.34Å; K111-A182 PolarHBondContact NZ-O 3.46Å; K111-T185 WeakPolarHBondContact CD-OG1 3.14Å; K111-T185 WeakPolarHBondContact CE-OG1 3.28Å; K111-T185 PolarHBondContact NZ-OG1 2.87Å
112L82.9Confident88.1Confident25 Ų2555.3 Ų55.313%0.13130%0.298CS..  trans-113.652.9178.3-55.9-179.8000109.6L102 L105 E106 S114 I115 L131L102-L112 HydrophobicContact CB-CD1 3.57Å; L102-L112 HydrophobicContact CD2-CD1 3.7Å; L102-L112 HydrophobicContact CD2-CD2 4.3Å; L102-L112 HydrophobicContact CG-CD1 4.12Å; L102-L112 WeakPolarHBondContact O-CD1 3.29Å; L105-L112 HydrophobicContact CB-CD1 4.2Å; L105-L112 HydrophobicContact CB-CD2 4.45Å; L105-L112 HydrophobicContact CD1-CD2 4.24Å; E106-L112 HydrophobicContact CG-CD1 3.87Å; L112-S114 PolarHBondContact O-N 2.95Å; L112-S114 VanDerWaalsContact O-N 3.11Å; L112-I115 HydrophobicContact CB-CB 4.16Å; L112-I115 HydrophobicContact CD2-CD1 4.27Å; L112-I115 PolarHBondContact O-N 3.1Å; L112-L131 HydrophobicContact CD2-CD1 3.76Å
113V76.7Confident88Confident105 Ų10555.5 Ų55.564%0.63630%0.303SS*.THydrogen-bonded Turntrans-65.5114.3178.4179.50000108.2K111K111-V113 HydrophobicContact CB-CG2 4.37Å; K111-V113 HydrophobicContact CD-CG2 4.33Å
114S82.4Confident88Confident100 Ų10055.5 Ų55.570%0.69930%0.299SS*.THydrogen-bonded Turntrans50.154.6-174.554.50000113.2L112L112-S114 PolarHBondContact O-N 2.95Å; L112-S114 VanDerWaalsContact O-N 3.11Å
115I88.8Confident88.1Confident13 Ų1356.2 Ų56.27%0.06731%0.306CS..  trans-130.892.5172.2-55.6-175.6000108.1L102 L112 I120 I127 L131L102-I115 HydrophobicContact CD2-CG2 4.23Å; L112-I115 HydrophobicContact CB-CB 4.16Å; L112-I115 HydrophobicContact CD2-CD1 4.27Å; L112-I115 PolarHBondContact O-N 3.1Å; I115-I120 HydrophobicContact CG2-CD1 3.84Å; I115-I120 HydrophobicContact CG2-CG1 4.41Å; I115-I127 HydrophobicContact CB-CG2 4.21Å; I115-I127 HydrophobicContact CG1-CG2 4.22Å; I115-I127 HydrophobicContact CG2-CG2 3.83Å; I115-L131 HydrophobicContact CD1-CB 4.21Å; I115-L131 HydrophobicContact CG2-CB 4.21Å; I115-L131 HydrophobicContact CG2-CD1 4.31Å
116D90.8Very high88Confident108 Ų10859.1 Ų59.158%0.57833%0.327SS*.  trans-91.8155.5176.6-78.2-47.3000111.9V118 D119D116-V118 PolarHBondContact O-N 2.91Å; D116-V118 VanDerWaalsContact O-N 3.11Å; D116-D119 PolarHBondContact O-N 3.1Å
117A93.7Very high88.2Confident17 Ų1755.2 Ų55.214%0.1431%0.309CS..Hα-helixtrans-60.8-22.317600000113L95 I98 L102 A121L95-A117 HydrophobicContact CD2-CB 4.3Å; L95-A117 VanDerWaalsContact CD2-O 3.31Å; L95-A117 WeakPolarHBondContact CD2-O 3.47Å; I98-A117 HydrophobicContact CB-CB 4.15Å; I98-A117 HydrophobicContact CG2-CB 3.75Å; L102-A117 HydrophobicContact CD1-CB 3.99Å; A117-A121 VanDerWaalsContact O-CB 3.28Å; A117-A121 WeakPolarHBondContact O-CB 3.49Å; A117-A121 PolarHBondContact O-N 2.55Å; A117-A121 VanDerWaalsContact O-N 3.14Å
118V93.8Very high88.5Confident66 Ų6648.3 Ų48.340%0.428%0.277SS..Hα-helixtrans-65.3-54.8178.11690000111.5L95 D116 I120 A121 D122L95-V118 HydrophobicContact CD2-CB 4.47Å; L95-V118 HydrophobicContact CD2-CG2 4Å; D116-V118 PolarHBondContact O-N 2.91Å; D116-V118 VanDerWaalsContact O-N 3.11Å; V118-I120 VanDerWaalsContact C-N 3.26Å; V118-I120 PolarHBondContact O-N 3.39Å; V118-A121 PolarHBondContact O-N 3.27Å; V118-A121 VanDerWaalsContact O-N 3.1Å; V118-D122 WeakPolarHBondContact O-CB 3.5Å; V118-D122 PolarHBondContact O-N 2.99Å
119D93.9Very high89Confident43 Ų4343.8 Ų43.823%0.2326%0.26CS..Hα-helixtrans-59.6-37.2-177.2-64.3-78.5000112.9D116 G123 N124 I127D116-D119 PolarHBondContact O-N 3.1Å; D119-G123 PolarHBondContact O-N 3.01Å; D119-N124 HydrophobicContact CB-CB 4.05Å; D119-N124 WeakPolarHBondContact O-CB 3.38Å; D119-N124 PolarHBondContact O-N 3.09Å; D119-N124 PolarHBondContact OD1-ND2 3.32Å; D119-I127 HydrophobicContact CB-CB 4.1Å; D119-I127 HydrophobicContact CB-CD1 3.73Å; D119-I127 HydrophobicContact CB-CG1 4.49Å; D119-I127 HydrophobicContact CB-CG2 3.78Å; D119-I127 VanDerWaalsContact CG-CD1 3.42Å; D119-I127 WeakPolarHBondContact OD1-CD1 3.48Å
120I94Very high89.6Confident0 Ų039.5 Ų39.50%024%0.243CC..Hα-helixtrans-71.1-41.6177.7-57.4157.9000110.6I63 L69 I98 L102 I115 V118 D122 G123 I128 L131I63-I120 HydrophobicContact CG2-CG2 3.61Å; L69-I120 HydrophobicContact CD1-CG2 4.16Å; I98-I120 HydrophobicContact CD1-CB 4.16Å; I98-I120 HydrophobicContact CD1-CG2 3.78Å; I98-I120 HydrophobicContact CG1-CG2 4.19Å; I98-I120 HydrophobicContact CG2-CB 4.02Å; I98-I120 HydrophobicContact CG2-CD1 3.59Å; I98-I120 HydrophobicContact CG2-CG1 4.44Å; I98-I120 HydrophobicContact CG2-CG2 4.03Å; L102-I120 HydrophobicContact CD1-CD1 4.16Å; L102-I120 HydrophobicContact CD2-CD1 3.76Å; L102-I120 HydrophobicContact CG-CD1 4.39Å; I115-I120 HydrophobicContact CG2-CD1 3.84Å; I115-I120 HydrophobicContact CG2-CG1 4.41Å; V118-I120 VanDerWaalsContact C-N 3.26Å; V118-I120 PolarHBondContact O-N 3.39Å; I120-D122 PolarHBondContact O-N 2.86Å; I120-G123 PolarHBondContact O-N 3.16Å; I120-I128 HydrophobicContact CG2-CG1 4.47Å; I120-L131 HydrophobicContact CD1-CD2 3.72Å; I120-L131 HydrophobicContact CG1-CD2 4.19Å
121A92.6Very high90.1Very high0 Ų039 Ų390%024%0.239CC..Hα-helixtrans-71.7-17.5179.300000113.7R94 L95 I98 A117 V118R94-A121 PolarHBondContact NH2-O 3.07Å; L95-A121 HydrophobicContact CD2-CB 3.59Å; L95-A121 HydrophobicContact CG-CB 4.25Å; I98-A121 HydrophobicContact CD1-CB 3.76Å; A117-A121 VanDerWaalsContact O-CB 3.28Å; A117-A121 WeakPolarHBondContact O-CB 3.49Å; A117-A121 PolarHBondContact O-N 2.55Å; A117-A121 VanDerWaalsContact O-N 3.14Å; V118-A121 PolarHBondContact O-N 3.27Å; V118-A121 VanDerWaalsContact O-N 3.1Å
122D91.9Very high91Very high85 Ų8537.5 Ų37.546%0.45523%0.233SC..Hα-helixtrans-104-6.1178.3-65.4-13.3000113.3R91 V118 I120R91-D122 IonicContact CZ-OD1 2.83Å; R91-D122 VanDerWaalsContact CZ-OD1 3.31Å; R91-D122 IonicContact CZ-OD2 3.31Å; R91-D122 IonicContact NE-OD1 2.72Å; R91-D122 PolarHBondContact NE-OD1 3.16Å; R91-D122 IonicContact NE-OD2 2.73Å; R91-D122 VanDerWaalsContact NH2-CG 3.26Å; R91-D122 IonicContact NH2-OD1 3.65Å; R91-D122 PolarHBondContact NH2-OD1 2.83Å; R91-D122 IonicContact NH2-OD2 3.07Å; R91-D122 PolarHBondContact NH2-OD2 3.5Å; V118-D122 WeakPolarHBondContact O-CB 3.5Å; V118-D122 PolarHBondContact O-N 2.99Å; I120-D122 PolarHBondContact O-N 2.86Å
123G91.8Very high91.6Very high16 Ų1637.8 Ų37.817%0.16523%0.232CC..THydrogen-bonded Turntrans90.222.117000000116.7D119 I120 S125D119-G123 PolarHBondContact O-N 3.01Å; I120-G123 PolarHBondContact O-N 3.16Å; G123-S125 PolarHBondContact O-N 2.93Å; G123-S125 VanDerWaalsContact O-N 3.1Å
124N92.9Very high92.3Very high55 Ų5534.2 Ų34.229%0.29421%0.21SC..  trans-63.8109.3-178.2-176.4-19.2000111.7D119 S126 I127 I128D119-N124 HydrophobicContact CB-CB 4.05Å; D119-N124 WeakPolarHBondContact O-CB 3.38Å; D119-N124 PolarHBondContact O-N 3.09Å; D119-N124 PolarHBondContact OD1-ND2 3.32Å; N124-S126 PolarHBondContact O-N 3.1Å; N124-S126 PolarHBondContact OD1-N 3.24Å; N124-S126 PolarHBondContact OD1-OG 3.16Å; N124-I127 HydrophobicContact CB-CB 4.36Å; N124-I127 WeakPolarHBondContact ND2-CD1 3.37Å; N124-I127 PolarHBondContact O-N 2.7Å; N124-I128 WeakPolarHBondContact O-CB 3.25Å; N124-I128 WeakPolarHBondContact O-CG1 3.23Å; N124-I128 PolarHBondContact O-N 2.81Å
125S92.1Very high92.8Very high36 Ų3629.4 Ų29.425%0.25218%0.176SC..Hα-helixtrans-53.9-49.7-174.8580000112.8F60 G123 I127 I128 L129F60-S125 VanDerWaalsContact CE2-CB 3.46Å; F60-S125 VanDerWaalsContact CZ-CB 3.43Å; G123-S125 PolarHBondContact O-N 2.93Å; G123-S125 VanDerWaalsContact O-N 3.1Å; S125-I127 VanDerWaalsContact C-N 3.33Å; S125-I127 PolarHBondContact O-N 3.13Å; S125-I128 PolarHBondContact O-N 2.92Å; S125-L129 WeakPolarHBondContact O-CB 3.24Å; S125-L129 VanDerWaalsContact O-CG 3.29Å; S125-L129 WeakPolarHBondContact O-CG 3.27Å; S125-L129 PolarHBondContact O-N 3.3Å
126S90.1Very high93Very high61 Ų6128.8 Ų28.843%0.42717%0.173SC..Hα-helixtrans-61.4-40.1-175.866.90000112.6N124 G130N124-S126 PolarHBondContact O-N 3.1Å; N124-S126 PolarHBondContact OD1-N 3.24Å; N124-S126 PolarHBondContact OD1-OG 3.16Å; S126-G130 PolarHBondContact O-N 3.02Å
127I92.2Very high93Very high30 Ų3024 Ų2415%0.15415%0.147CC..Hα-helixtrans-80.4-34.5-179-67.7-179.3000111.2I115 D119 N124 S125 G130 L131I115-I127 HydrophobicContact CB-CG2 4.21Å; I115-I127 HydrophobicContact CG1-CG2 4.22Å; I115-I127 HydrophobicContact CG2-CG2 3.83Å; D119-I127 HydrophobicContact CB-CB 4.1Å; D119-I127 HydrophobicContact CB-CD1 3.73Å; D119-I127 HydrophobicContact CB-CG1 4.49Å; D119-I127 HydrophobicContact CB-CG2 3.78Å; D119-I127 VanDerWaalsContact CG-CD1 3.42Å; D119-I127 WeakPolarHBondContact OD1-CD1 3.48Å; N124-I127 HydrophobicContact CB-CB 4.36Å; N124-I127 WeakPolarHBondContact ND2-CD1 3.37Å; N124-I127 PolarHBondContact O-N 2.7Å; S125-I127 VanDerWaalsContact C-N 3.33Å; S125-I127 PolarHBondContact O-N 3.13Å; I127-G130 PolarHBondContact O-N 3Å; I127-L131 WeakPolarHBondContact O-CB 3.39Å; I127-L131 PolarHBondContact O-N 3.45Å
128I94.5Very high92.8Very high0 Ų025.1 Ų25.10%015%0.149CC..Hα-helixtrans-65.8-44.5172.3-69.1172.2000110.8L59 F60 I63 I120 N124 S125 L131 I132L59-I128 HydrophobicContact CG-CG2 4.24Å; F60-I128 HydrophobicContact CB-CD1 4.5Å; F60-I128 HydrophobicContact CD1-CB 4.29Å; F60-I128 HydrophobicContact CD1-CD1 4.47Å; F60-I128 HydrophobicContact CD1-CG2 4.06Å; F60-I128 HydrophobicContact CE1-CG2 4.48Å; I63-I128 HydrophobicContact CD1-CG2 3.83Å; I63-I128 HydrophobicContact CG2-CD1 4.48Å; I120-I128 HydrophobicContact CG2-CG1 4.47Å; N124-I128 WeakPolarHBondContact O-CB 3.25Å; N124-I128 WeakPolarHBondContact O-CG1 3.23Å; N124-I128 PolarHBondContact O-N 2.81Å; S125-I128 PolarHBondContact O-N 2.92Å; I128-L131 PolarHBondContact O-N 3.32Å; I128-I132 WeakPolarHBondContact O-CG1 3.23Å; I128-I132 PolarHBondContact O-N 2.94Å
129L93.7Very high92.5Very high4 Ų422.9 Ų22.92%0.02113%0.134CC..Hα-helixtrans-61-44.7172.4-67.9175.6000110.8E32 Q35 K36 F39 L59 F60 S125 L131 I132 W133E32-L129 HydrophobicContact CB-CD1 3.97Å; E32-L129 HydrophobicContact CG-CD1 3.87Å; Q35-L129 HydrophobicContact CB-CD1 4.23Å; Q35-L129 HydrophobicContact CB-CD2 4.09Å; K36-L129 HydrophobicContact CB-CD2 4.49Å; F39-L129 HydrophobicContact CD2-CD2 3.53Å; F39-L129 HydrophobicContact CE2-CB 4.08Å; F39-L129 HydrophobicContact CE2-CD2 3.77Å; F39-L129 WeakPolarHBondContact CE2-O 3.33Å; F39-L129 HydrophobicContact CG-CD2 4.39Å; L59-L129 HydrophobicContact CD2-CD2 3.79Å; F60-L129 HydrophobicContact CE1-CD2 4.12Å; F60-L129 HydrophobicContact CE1-CG 4Å; F60-L129 HydrophobicContact CZ-CD1 4.31Å; F60-L129 HydrophobicContact CZ-CD2 4.46Å; F60-L129 HydrophobicContact CZ-CG 4.29Å; S125-L129 WeakPolarHBondContact O-CB 3.24Å; S125-L129 VanDerWaalsContact O-CG 3.29Å; S125-L129 WeakPolarHBondContact O-CG 3.27Å; S125-L129 PolarHBondContact O-N 3.3Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L129-L131 PolarHBondContact O-N 3.17Å; L129-I132 PolarHBondContact O-N 3.23Å; L129-W133 VanDerWaalsContact O-CB 3.28Å; L129-W133 WeakPolarHBondContact O-CB 3.47Å; L129-W133 PolarHBondContact O-N 2.95Å
130G92.8Very high92.2Very high24 Ų2421.1 Ų21.125%0.24713%0.125CC..Hα-helixtrans-57.8-40.5174.500000113.9S126 I127 N134S126-G130 PolarHBondContact O-N 3.02Å; I127-G130 PolarHBondContact O-N 3Å; G130-N134 PolarHBondContact O-N 3.14Å; G130-N134 VanDerWaalsContact O-N 3.13Å; G130-N134 PolarHBondContact O-ND2 2.74Å
131L94.5Very high91.7Very high0 Ų021.1 Ų21.10%013%0.125CC..Hα-helixtrans-65.5-53.9175.5174.665.1000111.5L69 L102 L105 L112 I115 I120 I127 I128 L129 W133 N134 I135L69-L131 HydrophobicContact CD1-CD2 3.75Å; L69-L131 HydrophobicContact CD2-CD2 4.18Å; L102-L131 HydrophobicContact CD2-CD1 3.98Å; L105-L131 HydrophobicContact CD1-CD1 3.76Å; L112-L131 HydrophobicContact CD2-CD1 3.76Å; I115-L131 HydrophobicContact CD1-CB 4.21Å; I115-L131 HydrophobicContact CG2-CB 4.21Å; I115-L131 HydrophobicContact CG2-CD1 4.31Å; I120-L131 HydrophobicContact CD1-CD2 3.72Å; I120-L131 HydrophobicContact CG1-CD2 4.19Å; I127-L131 WeakPolarHBondContact O-CB 3.39Å; I127-L131 PolarHBondContact O-N 3.45Å; I128-L131 PolarHBondContact O-N 3.32Å; L129-L131 VanDerWaalsContact C-N 3.34Å; L129-L131 PolarHBondContact O-N 3.17Å; L131-W133 VanDerWaalsContact C-N 3.31Å; L131-W133 PolarHBondContact O-N 2.85Å; L131-N134 PolarHBondContact O-N 2.99Å; L131-N134 VanDerWaalsContact O-N 3.07Å; L131-I135 HydrophobicContact CD1-CD1 4.25Å; L131-I135 HydrophobicContact CD1-CG1 4.49Å; L131-I135 HydrophobicContact CG-CD1 4.15Å; L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 2.78Å
132I95.4Very high91.3Very high0 Ų023.4 Ų23.40%014%0.135CC..Hα-helixtrans-62.4-40.8-177.8-63.3-54.5000110.6F39 M43 I63 L69 I128 L129 N134 I135 I136F39-I132 HydrophobicContact CB-CG2 3.92Å; F39-I132 HydrophobicContact CD2-CB 3.91Å; F39-I132 HydrophobicContact CD2-CG2 3.7Å; F39-I132 HydrophobicContact CG-CG2 3.97Å; M43-I132 HydrophobicContact CE-CD1 3.74Å; M43-I132 HydrophobicContact CG-CG2 4.35Å; M43-I132 HydrophobicContact SD-CD1 3.55Å; M43-I132 VanDerWaalsContact SD-CD1 3.55Å; M43-I132 HydrophobicContact SD-CG1 3.91Å; M43-I132 HydrophobicContact SD-CG2 4.09Å; I63-I132 HydrophobicContact CD1-CD1 3.93Å; I63-I132 HydrophobicContact CD1-CG1 4.1Å; L69-I132 HydrophobicContact CD2-CD1 3.6Å; I128-I132 WeakPolarHBondContact O-CG1 3.23Å; I128-I132 PolarHBondContact O-N 2.94Å; L129-I132 PolarHBondContact O-N 3.23Å; I132-N134 VanDerWaalsContact C-N 3.35Å; I132-N134 PolarHBondContact O-N 2.71Å; I132-I135 HydrophobicContact CD1-CD1 4.14Å; I132-I135 WeakPolarHBondContact O-CB 3.2Å; I132-I135 PolarHBondContact O-N 2.89Å; I132-I135 VanDerWaalsContact O-N 3.17Å; I132-I136 HydrophobicContact CG2-CD1 3.76Å; I132-I136 HydrophobicContact CG2-CG1 4.25Å; I132-I136 VanDerWaalsContact O-CG1 3.26Å; I132-I136 WeakPolarHBondContact O-CG1 3.12Å; I132-I136 PolarHBondContact O-N 3.35Å
133W94.3Very high90.8Very high30 Ų3024.4 Ų24.411%0.11414%0.136CC..Hα-helixtrans-56.4-45.4171.5170-113000112.4F39 L129 L131 I135 I136 L137 I141 I193 Q280 I283 I284F39-W133 HydrophobicContact CE2-CB 4.11Å; F39-W133 HydrophobicContact CZ-CB 4.12Å; L129-W133 VanDerWaalsContact O-CB 3.28Å; L129-W133 WeakPolarHBondContact O-CB 3.47Å; L129-W133 PolarHBondContact O-N 2.95Å; L131-W133 VanDerWaalsContact C-N 3.31Å; L131-W133 PolarHBondContact O-N 2.85Å; W133-I135 VanDerWaalsContact C-N 3.32Å; W133-I135 PolarHBondContact O-N 3.1Å; W133-I136 PolarHBondContact O-N 3.42Å; W133-L137 HydrophobicContact CH2-CD1 4.34Å; W133-L137 HydrophobicContact CZ2-CB 4.45Å; W133-L137 HydrophobicContact CZ2-CD1 4.04Å; W133-L137 HydrophobicContact CZ2-CD2 3.97Å; W133-L137 HydrophobicContact CZ2-CG 4.39Å; W133-L137 WeakPolarHBondContact O-CB 3.19Å; W133-L137 PolarHBondContact O-N 3.42Å; W133-I141 HydrophobicContact CH2-CD1 4.19Å; W133-I141 HydrophobicContact CZ3-CD1 4.08Å; W133-I193 HydrophobicContact CZ2-CD1 4.34Å; W133-Q280 HydrophobicContact CD2-CB 4.21Å; W133-Q280 VanDerWaalsContact CD2-CD 3.48Å; W133-Q280 HydrophobicContact CD2-CG 3.82Å; W133-Q280 HydrophobicContact CE3-CB 3.64Å; W133-Q280 HydrophobicContact CE3-CG 3.77Å; W133-Q280 HydrophobicContact CH2-CB 4.09Å; W133-Q280 HydrophobicContact CH2-CG 3.92Å; W133-Q280 HydrophobicContact CZ2-CG 3.97Å; W133-Q280 HydrophobicContact CZ3-CB 3.57Å; W133-Q280 HydrophobicContact CZ3-CG 3.82Å; W133-I283 HydrophobicContact CH2-CB 4.4Å; W133-I283 HydrophobicContact CH2-CD1 4.14Å; W133-I283 HydrophobicContact CH2-CG2 4.18Å; W133-I284 HydrophobicContact CE3-CD1 4.1Å; W133-I284 HydrophobicContact CE3-CG1 4.41Å; W133-I284 HydrophobicContact CZ3-CD1 4.1Å; W133-I284 HydrophobicContact CZ3-CG1 3.99Å
134N92.3Very high90Very high30 Ų3025.5 Ų25.516%0.1614%0.138CC..Hα-helixtrans-65-33.9177.6-80.9-59.2000112.9V110 K111 G130 L131 I132 F138V110-N134 HydrophobicContact CG1-CB 4.06Å; K111-N134 PolarHBondContact O-ND2 2.94Å; G130-N134 PolarHBondContact O-N 3.14Å; G130-N134 VanDerWaalsContact O-N 3.13Å; G130-N134 PolarHBondContact O-ND2 2.74Å; L131-N134 PolarHBondContact O-N 2.99Å; L131-N134 VanDerWaalsContact O-N 3.07Å; I132-N134 VanDerWaalsContact C-N 3.35Å; I132-N134 PolarHBondContact O-N 2.71Å; N134-F138 WeakPolarHBondContact O-CB 3.28Å; N134-F138 PolarHBondContact O-N 2.93Å; N134-F138 VanDerWaalsContact O-N 3.13Å
135I93.1Very high88.9Confident0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-64.4-52.7173-65.8172.3000110.2W42 L69 L72 L73 L76 L105 L131 I132 W133 L137 F138 F139W42-I135 HydrophobicContact CH2-CG2 4.26Å; L69-I135 HydrophobicContact CD2-CD1 4.26Å; L72-I135 HydrophobicContact CD2-CG2 4.39Å; L73-I135 HydrophobicContact CD2-CD1 4.31Å; L73-I135 HydrophobicContact CD2-CG1 4.41Å; L73-I135 HydrophobicContact CD2-CG2 3.99Å; L76-I135 HydrophobicContact CD1-CG2 3.67Å; L105-I135 HydrophobicContact CD1-CD1 4.13Å; L105-I135 HydrophobicContact CD1-CG1 4.04Å; L105-I135 HydrophobicContact CD2-CG1 3.97Å; L131-I135 HydrophobicContact CD1-CD1 4.25Å; L131-I135 HydrophobicContact CD1-CG1 4.49Å; L131-I135 HydrophobicContact CG-CD1 4.15Å; L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 2.78Å; I132-I135 HydrophobicContact CD1-CD1 4.14Å; I132-I135 WeakPolarHBondContact O-CB 3.2Å; I132-I135 PolarHBondContact O-N 2.89Å; I132-I135 VanDerWaalsContact O-N 3.17Å; W133-I135 VanDerWaalsContact C-N 3.32Å; W133-I135 PolarHBondContact O-N 3.1Å; I135-L137 VanDerWaalsContact C-N 3.33Å; I135-L137 PolarHBondContact O-N 2.63Å; I135-F138 PolarHBondContact O-N 2.82Å; I135-F138 VanDerWaalsContact O-N 3.17Å; I135-F139 HydrophobicContact CG2-CD2 3.91Å; I135-F139 HydrophobicContact CG2-CE2 4.44Å; I135-F139 WeakPolarHBondContact O-CD2 3.3Å; I135-F139 PolarHBondContact O-N 3.4Å
136I93Very high87.6Confident0 Ų022.9 Ų22.90%013%0.13CC..Hα-helixtrans-63-42-179.5-53.6160.4000111.1F39 W42 I132 W133 F138 Q140 I141 I284F39-I136 HydrophobicContact CD1-CD1 4.15Å; F39-I136 HydrophobicContact CG-CD1 4.31Å; W42-I136 HydrophobicContact CD2-CD1 3.95Å; W42-I136 HydrophobicContact CD2-CG1 3.68Å; W42-I136 HydrophobicContact CD2-CG2 4.49Å; W42-I136 HydrophobicContact CE3-CD1 3.86Å; W42-I136 HydrophobicContact CE3-CG1 3.54Å; W42-I136 HydrophobicContact CG-CD1 4.36Å; W42-I136 HydrophobicContact CG-CG1 4.5Å; W42-I136 HydrophobicContact CH2-CB 4.27Å; W42-I136 HydrophobicContact CH2-CG1 3.51Å; W42-I136 HydrophobicContact CZ2-CB 4.14Å; W42-I136 HydrophobicContact CZ2-CG1 3.67Å; W42-I136 HydrophobicContact CZ2-CG2 3.94Å; W42-I136 HydrophobicContact CZ3-CD1 4.23Å; W42-I136 HydrophobicContact CZ3-CG1 3.45Å; W42-I136 VanDerWaalsContact CZ3-CG1 3.45Å; I132-I136 HydrophobicContact CG2-CD1 3.76Å; I132-I136 HydrophobicContact CG2-CG1 4.25Å; I132-I136 VanDerWaalsContact O-CG1 3.26Å; I132-I136 WeakPolarHBondContact O-CG1 3.12Å; I132-I136 PolarHBondContact O-N 3.35Å; W133-I136 PolarHBondContact O-N 3.42Å; I136-F138 PolarHBondContact O-N 3.03Å; I136-Q140 HydrophobicContact CG2-CB 4.07Å; I136-Q140 WeakPolarHBondContact O-CB 3.1Å; I136-Q140 PolarHBondContact O-N 3.07Å; I136-I141 HydrophobicContact CG2-CD1 4.14Å; I136-I141 PolarHBondContact O-N 3.22Å; I136-I284 HydrophobicContact CD1-CD1 3.71Å; I136-I284 HydrophobicContact CD1-CG1 4.26Å; I136-I284 HydrophobicContact CG2-CD1 4.5Å; I136-I284 HydrophobicContact CG2-CG1 3.85Å; I136-I284 HydrophobicContact CG2-CG2 4.12Å
137L90.4Very high86.1Confident7 Ų724.7 Ų24.74%0.03713%0.134CC..Iπ-helixtrans-61.5-30.5178.1-177.559000112.5W133 I135 I141 K142 N189 I193W133-L137 HydrophobicContact CH2-CD1 4.34Å; W133-L137 HydrophobicContact CZ2-CB 4.45Å; W133-L137 HydrophobicContact CZ2-CD1 4.04Å; W133-L137 HydrophobicContact CZ2-CD2 3.97Å; W133-L137 HydrophobicContact CZ2-CG 4.39Å; W133-L137 WeakPolarHBondContact O-CB 3.19Å; W133-L137 PolarHBondContact O-N 3.42Å; I135-L137 VanDerWaalsContact C-N 3.33Å; I135-L137 PolarHBondContact O-N 2.63Å; L137-I141 HydrophobicContact CD1-CB 4.21Å; L137-I141 HydrophobicContact CD1-CD1 4.29Å; L137-I141 HydrophobicContact CD1-CG2 4.08Å; L137-K142 WeakPolarHBondContact O-CB 3.26Å; L137-K142 PolarHBondContact O-N 2.6Å; L137-N189 HydrophobicContact CD1-CB 4.45Å; L137-N189 HydrophobicContact CD2-CB 4.01Å; L137-N189 VanDerWaalsContact CD2-ND2 3.34Å; L137-N189 WeakPolarHBondContact CD2-ND2 3.48Å; L137-N189 HydrophobicContact CG-CB 4.4Å; L137-I193 HydrophobicContact CD1-CD1 4.11Å; L137-I193 HydrophobicContact CD1-CG1 4.23Å
138F88.6Confident84.5Confident40 Ų4024.2 Ų24.218%0.17513%0.132CC..Iπ-helixtrans-83.8-66.3174.7-171.2-89.5000112.2R108 V110 N134 I135 I136 K142 E143R108-F138 HydrophobicContact CB-CE1 4.26Å; R108-F138 HydrophobicContact CB-CZ 4.14Å; R108-F138 WeakPolarHBondContact O-CE2 3.47Å; R108-F138 WeakPolarHBondContact O-CZ 3.2Å; V110-F138 HydrophobicContact CG2-CB 3.94Å; V110-F138 HydrophobicContact CG2-CD1 3.96Å; V110-F138 HydrophobicContact CG2-CD2 3.68Å; V110-F138 HydrophobicContact CG2-CE1 4.38Å; V110-F138 HydrophobicContact CG2-CE2 4.11Å; V110-F138 HydrophobicContact CG2-CG 3.59Å; V110-F138 HydrophobicContact CG2-CZ 4.45Å; N134-F138 WeakPolarHBondContact O-CB 3.28Å; N134-F138 PolarHBondContact O-N 2.93Å; N134-F138 VanDerWaalsContact O-N 3.13Å; I135-F138 PolarHBondContact O-N 2.82Å; I135-F138 VanDerWaalsContact O-N 3.17Å; I136-F138 PolarHBondContact O-N 3.03Å; F138-K142 HydrophobicContact CD2-CD 3.99Å; F138-K142 HydrophobicContact CE2-CD 4.25Å; F138-K142 WeakPolarHBondContact O-CB 3.35Å; F138-K142 PolarHBondContact O-N 2.81Å; F138-E143 PolarHBondContact O-N 2.78Å
139F88.6Confident82.3Confident19 Ų1933.7 Ų33.78%0.08317%0.168CC..Iπ-helixtrans-70.7-37-168.3-73.4-80.8000113.3L73 L76 F104 L105 I135 E143L73-F139 HydrophobicContact CD2-CD2 4.26Å; L73-F139 HydrophobicContact CD2-CE2 3.58Å; L73-F139 HydrophobicContact CD2-CZ 4.08Å; L76-F139 HydrophobicContact CB-CB 4.32Å; L76-F139 HydrophobicContact CB-CD1 4.03Å; L76-F139 HydrophobicContact CB-CG 4.05Å; L76-F139 HydrophobicContact CD1-CB 4.32Å; L76-F139 HydrophobicContact CD1-CD2 4.32Å; L76-F139 HydrophobicContact CD1-CG 4.33Å; L76-F139 HydrophobicContact CD2-CB 4.35Å; F104-F139 HydrophobicContact CE1-CZ 4.3Å; L105-F139 HydrophobicContact CD2-CE2 3.97Å; I135-F139 HydrophobicContact CG2-CD2 3.91Å; I135-F139 HydrophobicContact CG2-CE2 4.44Å; I135-F139 WeakPolarHBondContact O-CD2 3.3Å; I135-F139 PolarHBondContact O-N 3.4Å; F139-E143 WeakPolarHBondContact O-CB 3.48Å
140Q87.3Confident79.9Confident7 Ų738.3 Ų38.33%0.03320%0.2CC..Iπ-helixtrans-90.7-66175-163.5174.23000110.1I136 L144 E291I136-Q140 HydrophobicContact CG2-CB 4.07Å; I136-Q140 WeakPolarHBondContact O-CB 3.1Å; I136-Q140 PolarHBondContact O-N 3.07Å; Q140-L144 HydrophobicContact CG-CD1 3.68Å; Q140-L144 VanDerWaalsContact O-CB 3.26Å; Q140-L144 WeakPolarHBondContact O-CB 3.49Å; Q140-L144 WeakPolarHBondContact O-CD1 3.41Å; Q140-L144 WeakPolarHBondContact O-CG 3.34Å; Q140-L144 PolarHBondContact O-N 3.2Å; Q140-L144 VanDerWaalsContact O-N 3.13Å; Q140-E291 PolarHBondContact NE2-OE2 2.67Å
141I83.4Confident77.5Confident0 Ų041.9 Ų41.90%021%0.211CC..Iπ-helixtrans-73.4-45.6-163.2-62150.1000112.2W133 I136 L137 T145 A192 I283W133-I141 HydrophobicContact CH2-CD1 4.19Å; W133-I141 HydrophobicContact CZ3-CD1 4.08Å; I136-I141 HydrophobicContact CG2-CD1 4.14Å; I136-I141 PolarHBondContact O-N 3.22Å; L137-I141 HydrophobicContact CD1-CB 4.21Å; L137-I141 HydrophobicContact CD1-CD1 4.29Å; L137-I141 HydrophobicContact CD1-CG2 4.08Å; I141-T145 WeakPolarHBondContact O-CB 3.36Å; I141-T145 PolarHBondContact O-N 2.94Å; I141-T145 PolarHBondContact O-OG1 2.81Å; I141-A192 HydrophobicContact CG2-CB 4.3Å; I141-I283 HydrophobicContact CD1-CG2 3.49Å; I141-I283 VanDerWaalsContact CD1-CG2 3.49Å; I141-I283 HydrophobicContact CG1-CG2 4.05Å
142K84.1Confident75.1Confident48 Ų4846.5 Ų46.521%0.20923%0.231CC..Iπ-helixtrans-70.4-39.5-178.9-173.5-178.9-175.5176.10111.8L137 F138 G146 E188L137-K142 WeakPolarHBondContact O-CB 3.26Å; L137-K142 PolarHBondContact O-N 2.6Å; F138-K142 HydrophobicContact CD2-CD 3.99Å; F138-K142 HydrophobicContact CE2-CD 4.25Å; F138-K142 WeakPolarHBondContact O-CB 3.35Å; F138-K142 PolarHBondContact O-N 2.81Å; K142-G146 PolarHBondContact O-N 3.32Å; K142-E188 WeakPolarHBondContact CE-OE2 3.33Å; K142-E188 IonicContact NZ-OE2 3.34Å; K142-E188 PolarHBondContact NZ-OE2 3.49Å
143E80.9Confident72.4Confident105 Ų10552.3 Ų52.349%0.49127%0.269SS..Hα-helixtrans-69.9-57.8-179.1-170160.5158.700112.5F138 F139 T145 G146 N147F138-E143 PolarHBondContact O-N 2.78Å; F139-E143 WeakPolarHBondContact O-CB 3.48Å; E143-T145 PolarHBondContact O-N 2.98Å; E143-T145 VanDerWaalsContact O-N 3.14Å; E143-G146 WeakPolarHBondContact O-CA 3.36Å; E143-G146 PolarHBondContact O-N 3.1Å; E143-N147 PolarHBondContact O-N 2.78Å
144L76.6Confident69.4Low39 Ų3955.4 Ų55.420%0.20430%0.295CS..Hα-helixtrans-49.9-45.1175.6-67.8172.1000111.3Q140 N147 I148 L290 E291Q140-L144 HydrophobicContact CG-CD1 3.68Å; Q140-L144 VanDerWaalsContact O-CB 3.26Å; Q140-L144 WeakPolarHBondContact O-CB 3.49Å; Q140-L144 WeakPolarHBondContact O-CD1 3.41Å; Q140-L144 WeakPolarHBondContact O-CG 3.34Å; Q140-L144 PolarHBondContact O-N 3.2Å; Q140-L144 VanDerWaalsContact O-N 3.13Å; L144-N147 PolarHBondContact O-N 3.45Å; L144-I148 PolarHBondContact O-N 3.25Å; L144-L290 HydrophobicContact CB-CD2 4.08Å; L144-E291 HydrophobicContact CD1-CB 3.74Å; L144-E291 HydrophobicContact CD1-CG 4.15Å; L144-E291 HydrophobicContact CD2-CB 4.04Å; L144-E291 HydrophobicContact CD2-CG 3.94Å
145T69.7Low66.6Low3 Ų359.8 Ų59.82%0.01833%0.328CS..Hα-helixtrans-79.4-19.3-176.5-540000113.2I141 E143 I148 A192 K195I141-T145 WeakPolarHBondContact O-CB 3.36Å; I141-T145 PolarHBondContact O-N 2.94Å; I141-T145 PolarHBondContact O-OG1 2.81Å; E143-T145 PolarHBondContact O-N 2.98Å; E143-T145 VanDerWaalsContact O-N 3.14Å; T145-I148 HydrophobicContact CG2-CD1 4.29Å; T145-A192 HydrophobicContact CG2-CB 4.13Å; T145-A192 WeakPolarHBondContact CG2-O 3.13Å; T145-K195 HydrophobicContact CG2-CB 3.26Å; T145-K195 HydrophobicContact CG2-CD 3.42Å; T145-K195 VanDerWaalsContact CG2-CD 3.42Å; T145-K195 HydrophobicContact CG2-CG 4.04Å; T145-K195 WeakPolarHBondContact O-CD 3.39Å; T145-K195 PolarHBondContact O-NZ 2.94Å
146G65.1Low63.7Low34 Ų3465 Ų6535%0.35136%0.364SS..Hα-helixtrans-63.1-53162.900000110.1K142 E143 I148 R149K142-G146 PolarHBondContact O-N 3.32Å; E143-G146 WeakPolarHBondContact O-CA 3.36Å; E143-G146 PolarHBondContact O-N 3.1Å; G146-I148 VanDerWaalsContact C-N 3.28Å; G146-I148 PolarHBondContact O-N 3.35Å; G146-R149 WeakPolarHBondContact O-CB 3.38Å; G146-R149 PolarHBondContact O-N 3.31Å
147N58.3Low60.8Low98 Ų9870.6 Ų70.652%0.52440%0.403SS..Hα-helixtrans-62.4-28.3-173.6-65.4-7.8000113.5E143 L144 R149 S150E143-N147 PolarHBondContact O-N 2.78Å; L144-N147 PolarHBondContact O-N 3.45Å; N147-R149 PolarHBondContact O-N 2.98Å; N147-S150 PolarHBondContact O-N 3.36Å; N147-S150 PolarHBondContact O-OG 3.17Å
148I57.8Low58.3Low21 Ų2178 Ų7811%0.10844%0.442CS..Hα-helixtrans-47.9-27.7169.5-65.2178.6000113L144 T145 G146 S150 Q151 F152 L290L144-I148 PolarHBondContact O-N 3.25Å; T145-I148 HydrophobicContact CG2-CD1 4.29Å; G146-I148 VanDerWaalsContact C-N 3.28Å; G146-I148 PolarHBondContact O-N 3.35Å; I148-S150 VanDerWaalsContact C-N 3.31Å; I148-S150 PolarHBondContact O-N 2.88Å; I148-Q151 PolarHBondContact O-N 3.15Å; I148-F152 HydrophobicContact CG2-CD2 3.8Å; I148-F152 HydrophobicContact CG2-CE2 4.19Å; I148-F152 PolarHBondContact O-N 2.79Å; I148-L290 HydrophobicContact CD1-CD1 3.74Å; I148-L290 HydrophobicContact CD1-CD2 3.89Å; I148-L290 HydrophobicContact CD1-CG 4.47Å; I148-L290 HydrophobicContact CG1-CD1 4.14Å
149R48.4Very low55.7Low198 Ų19881.8 Ų81.875%0.74747%0.474SS*.Hα-helixtrans-63.7-31.2178.5-172.8121.271.3163.86.3113.3G146 N147 Q151G146-R149 WeakPolarHBondContact O-CB 3.38Å; G146-R149 PolarHBondContact O-N 3.31Å; N147-R149 PolarHBondContact O-N 2.98Å; R149-Q151 VanDerWaalsContact C-N 3.31Å; R149-Q151 PolarHBondContact O-N 2.8Å
150S42.9Very low53Low101 Ų10186.2 Ų86.271%0.70651%0.507SS*.Hα-helixtrans-70.3-29.5179.764.50000112.7N147 I148N147-S150 PolarHBondContact O-N 3.36Å; N147-S150 PolarHBondContact O-OG 3.17Å; I148-S150 VanDerWaalsContact C-N 3.31Å; I148-S150 PolarHBondContact O-N 2.88Å
151Q42.2Very low50.7Low100 Ų10093.2 Ų93.247%0.46754%0.543SS..Hα-helixtrans-87.3-11.5-177.2-64.1179.5-3.500113.7I148 R149I148-Q151 PolarHBondContact O-N 3.15Å; R149-Q151 VanDerWaalsContact C-N 3.31Å; R149-Q151 PolarHBondContact O-N 2.8Å
152F45.4Very low48.9Very low96 Ų9699 Ų9942%0.42158%0.581SS.*  trans-132.983.3-179.7-65.2-79.5000112.2I148 S154I148-F152 HydrophobicContact CG2-CD2 3.8Å; I148-F152 HydrophobicContact CG2-CE2 4.19Å; I148-F152 PolarHBondContact O-N 2.79Å; F152-S154 PolarHBondContact O-N 2.89Å
153P37.6Very low46.6Very low122 Ų122103.2 Ų103.279%0.79261%0.61SS**  trans-68.972.916730.9-35.3000110.4S155P153-S155 PolarHBondContact O-N 3.37Å
154S32.2Very low44.8Very low95 Ų95103.7 Ų103.766%0.66463%0.626SS**  trans-66.8114177.7-61.20000109.5F152 S156F152-S154 PolarHBondContact O-N 2.89Å; S154-S156 PolarHBondContact O-N 3.27Å; S154-S156 VanDerWaalsContact O-N 3.07Å
155S32.8Very low42.9Very low123 Ų123107.5 Ų107.586%0.8666%0.655SS**  trans-63.5101.8-172.454.50000113.2P153P153-S155 PolarHBondContact O-N 3.37Å
156S31.8Very low41.4Very low108 Ų108114 Ų11476%0.75569%0.69SS**  trans-148.168.2168.368.50000111.3S154S154-S156 PolarHBondContact O-N 3.27Å; S154-S156 VanDerWaalsContact O-N 3.07Å
157S33.5Very low40Very low118 Ų118118.1 Ų118.183%0.82571%0.714SS**  trans-136.464-177.2-56.90000112.2
158L37.5Very low38.9Very low163 Ų163120.5 Ų120.585%0.85373%0.726SS**  trans-138.6144.1163.2-76.8-179.3000109.3
159S32.7Very low37.9Very low120 Ų120125.9 Ų125.984%0.83976%0.76SS**  trans63.8141.6-174.5740000115.4
160S32.9Very low37.2Very low111 Ų111121.9 Ų121.978%0.77676%0.763SS**  cis-131.2148.610.7-67.30000113.3
161I39.6Very low37.2Very low154 Ų154126.8 Ų126.879%0.7977%0.771SS**  trans-75.5141.8168.1-63.9169.3000108.5
162P45.3Very low36.5Very low122 Ų122127 Ų12779%0.79278%0.784SS**  trans-73.8139176.230.3-35.2000112.2
163T35.4Very low36Very low136 Ų136127.8 Ų127.883%0.83480%0.802SS**  trans-119124.5166.654.10000109.7
164S42Very low36.2Very low116 Ų116127.2 Ų127.281%0.81180%0.796SS**  trans-67.8142.2-176.151.60000114.3
165S38.1Very low36.6Very low118 Ų118128.3 Ų128.383%0.82580%0.801SS**  trans-155.9137.4143.6-168.30000109.3
166D37.2Very low36.7Very low140 Ų140126 Ų12675%0.74979%0.785SS**  trans-89.1156.6-167.5-38.6-88.3000113.4
167S36Very low37.3Very low121 Ų121128.4 Ų128.485%0.84678%0.784SS**  trans-179.2136.5130.7-77.10000111.4
168D35.3Very low37.8Very low148 Ų148130.7 Ų130.779%0.79178%0.782SS**  trans-74155.7179.4-50-89.8000113.7
169T36.6Very low38Very low133 Ų133132.8 Ų132.882%0.81678%0.778SS**  173.4156.3105.732.40000114.1
170S34.8Very low38.4Very low114 Ų114133.8 Ų133.880%0.79777%0.77SS**  trans71.7120.3165.369.30000118.7
171F43.2Very low39.4Very low204 Ų204131.1 Ų131.190%0.89575%0.751SS**  trans-76142.8164.7-64.8-104.1000110
172S26.2Very low40Very low104 Ų104126 Ų12673%0.72773%0.731SS**  trans-147.886.3157.8-178.10000109.8T174S172-T174 PolarHBondContact O-N 3.4Å
173S36.1Very low40.6Very low114 Ų114123.3 Ų123.380%0.79772%0.72SS**  trans-82.397.7178-58.10000110.7
174T40.5Very low41.8Very low109 Ų109120.4 Ų120.467%0.66970%0.702SS**  trans-131.2123165.250.40000110S172 S176S172-T174 PolarHBondContact O-N 3.4Å; T174-S176 PolarHBondContact O-N 3.04Å
175P40.6Very low42.8Very low118 Ų118115.6 Ų115.677%0.76667%0.668SS**  trans-74.8118.4174.729.7-31.7000109.4
176S36.3Very low43.9Very low75 Ų75116.3 Ų116.352%0.52466%0.659SS.*  trans-132.249172.5-157.90000110.2T174T174-S176 PolarHBondContact O-N 3.04Å
177E42.8Very low45.5Very low159 Ų159118.3 Ų118.374%0.74366%0.657SS**Hα-helixtrans-71.1-36.2-175.3-59.7-179.411100111.5R179 Q180 S181E177-R179 PolarHBondContact O-N 2.91Å; E177-Q180 PolarHBondContact O-N 3.29Å; E177-S181 PolarHBondContact O-N 3.04Å
178E45.3Very low47.3Very low165 Ų165115.9 Ų115.977%0.77163%0.632SS**Hα-helixtrans-53.9-49.7-174.9-168.9178.3-119.800113S181E178-S181 WeakPolarHBondContact O-CB 3.36Å; E178-S181 PolarHBondContact O-OG 2.83Å
179R41.9Very low49.5Very low208 Ų208110.2 Ų110.279%0.78560%0.601SS**Hα-helixtrans-80.9-16.2-175.7-157169.9-67.7172.10114E177E177-R179 PolarHBondContact O-N 2.91Å
180Q40.3Very low51.7Low141 Ų141106.6 Ų106.666%0.65958%0.582SS**Hα-helixtrans-85.6-30173.3-61.9-166.524.500112.1E177 A182 A183 T184E177-Q180 PolarHBondContact O-N 3.29Å; Q180-A182 PolarHBondContact O-N 3.42Å; Q180-A183 PolarHBondContact O-N 3.14Å; Q180-T184 PolarHBondContact O-N 2.6Å; Q180-T184 PolarHBondContact O-OG1 2.91Å
181S54.7Low54.2Low55 Ų55106.5 Ų106.539%0.38557%0.567SS.*Hα-helixtrans-50.5-44.4175.279.90000111.8K111 E177 E178 A183 T184 T185K111-S181 WeakPolarHBondContact CE-O 3.43Å; K111-S181 PolarHBondContact NZ-O 3.15Å; E177-S181 PolarHBondContact O-N 3.04Å; E178-S181 WeakPolarHBondContact O-CB 3.36Å; E178-S181 PolarHBondContact O-OG 2.83Å; S181-A183 PolarHBondContact O-N 3.02Å; S181-T184 PolarHBondContact O-N 2.95Å; S181-T184 PolarHBondContact O-OG1 3.37Å; S181-T185 PolarHBondContact O-N 3.2Å
182A51Low56.4Low45 Ų4597.1 Ų97.137%0.37253%0.527SS..Hα-helixtrans-52.4-47.1-178.400000113.1K111 Q180 M186K111-A182 VanDerWaalsContact NZ-CA 3.34Å; K111-A182 PolarHBondContact NZ-O 3.46Å; Q180-A182 PolarHBondContact O-N 3.42Å; A182-M186 WeakPolarHBondContact O-CG 3.35Å
183A57.2Low59.4Low67 Ų6794.2 Ų94.255%0.55450%0.503SS*.Hα-helixtrans-77.7-35.3-179.800000113.2Q180 S181 R187Q180-A183 PolarHBondContact O-N 3.14Å; S181-A183 PolarHBondContact O-N 3.02Å; A183-R187 PolarHBondContact O-N 3.01Å
184T62.6Low62Low74 Ų7495.2 Ų95.245%0.45449%0.493SS..Hα-helixtrans-68.5-55.3-174.155.10000112Q180 S181 M186 R187 E188Q180-T184 PolarHBondContact O-N 2.6Å; Q180-T184 PolarHBondContact O-OG1 2.91Å; S181-T184 PolarHBondContact O-N 2.95Å; S181-T184 PolarHBondContact O-OG1 3.37Å; T184-M186 PolarHBondContact O-N 3.02Å; T184-R187 CarbonylContact O-C 3.6Å; T184-R187 WeakPolarHBondContact O-CA 3.25Å; T184-R187 VanDerWaalsContact O-CB 3.28Å; T184-R187 WeakPolarHBondContact O-CB 3.48Å; T184-R187 PolarHBondContact O-N 3.2Å; T184-E188 PolarHBondContact O-N 3.28Å; T184-E188 VanDerWaalsContact O-N 3.09Å
185T61.6Low64.4Low16 Ų1693 Ų9310%0.09847%0.474CS..Hα-helixtrans-72.8-22.6-177.297.60000113.7K111 S181 R187 E188 N189K111-T185 WeakPolarHBondContact CD-OG1 3.14Å; K111-T185 WeakPolarHBondContact CE-OG1 3.28Å; K111-T185 PolarHBondContact NZ-OG1 2.87Å; S181-T185 PolarHBondContact O-N 3.2Å; T185-R187 VanDerWaalsContact C-N 3.28Å; T185-R187 PolarHBondContact O-N 3.39Å; T185-E188 CarbonylContact O-C 3.58Å; T185-E188 WeakPolarHBondContact O-CA 3.26Å; T185-E188 WeakPolarHBondContact O-CB 3.2Å; T185-E188 PolarHBondContact O-N 3.17Å; T185-N189 VanDerWaalsContact O-CG 3.31Å; T185-N189 PolarHBondContact O-N 3.13Å; T185-N189 PolarHBondContact O-OD1 2.71Å
186M62Low66.9Low132 Ų13287.3 Ų87.365%0.6544%0.437SS*.Hα-helixtrans-62.2-39.4167.6-77.5-171.38400111A182 T184 E188 S190A182-M186 WeakPolarHBondContact O-CG 3.35Å; T184-M186 PolarHBondContact O-N 3.02Å; M186-E188 PolarHBondContact O-N 3.11Å; M186-S190 VanDerWaalsContact O-CB 3.3Å; M186-S190 WeakPolarHBondContact O-CB 3.4Å; M186-S190 PolarHBondContact O-N 2.73Å; M186-S190 PolarHBondContact O-OG 3.11Å
187R69.9Low69.6Low183 Ų18385.1 Ų85.169%0.69142%0.419SS*.Hα-helixtrans-67.3-22.9171.6-166-173.6-72.6-162.7-3.1112A183 T184 T185 K191A183-R187 PolarHBondContact O-N 3.01Å; T184-R187 CarbonylContact O-C 3.6Å; T184-R187 WeakPolarHBondContact O-CA 3.25Å; T184-R187 VanDerWaalsContact O-CB 3.28Å; T184-R187 WeakPolarHBondContact O-CB 3.48Å; T184-R187 PolarHBondContact O-N 3.2Å; T185-R187 VanDerWaalsContact C-N 3.28Å; T185-R187 PolarHBondContact O-N 3.39Å; R187-K191 WeakPolarHBondContact O-CE 3.44Å; R187-K191 VanDerWaalsContact O-CG 3.22Å; R187-K191 WeakPolarHBondContact O-CG 3.39Å; R187-K191 PolarHBondContact O-N 3.19Å
188E74.1Confident71.9Confident70 Ų7082.2 Ų82.233%0.32741%0.406SS..Hα-helixtrans-80.6-47173.9-65.2-176.7165.500113.4K142 T184 T185 M186 S190 K191 A192K142-E188 WeakPolarHBondContact CE-OE2 3.33Å; K142-E188 IonicContact NZ-OE2 3.34Å; K142-E188 PolarHBondContact NZ-OE2 3.49Å; T184-E188 PolarHBondContact O-N 3.28Å; T184-E188 VanDerWaalsContact O-N 3.09Å; T185-E188 CarbonylContact O-C 3.58Å; T185-E188 WeakPolarHBondContact O-CA 3.26Å; T185-E188 WeakPolarHBondContact O-CB 3.2Å; T185-E188 PolarHBondContact O-N 3.17Å; M186-E188 PolarHBondContact O-N 3.11Å; E188-S190 PolarHBondContact O-N 2.87Å; E188-K191 CarbonylContact O-C 3.58Å; E188-K191 WeakPolarHBondContact O-CA 3.47Å; E188-K191 VanDerWaalsContact O-CB 3.31Å; E188-K191 WeakPolarHBondContact O-CB 3.41Å; E188-K191 PolarHBondContact O-N 2.96Å; E188-A192 PolarHBondContact O-N 2.84Å
189N81.1Confident74.1Confident28 Ų2875.1 Ų75.115%0.1537%0.372CS..Hα-helixtrans-57.7-41174.9-63.76.2000109.4L137 T185 K191 A192 I193L137-N189 HydrophobicContact CD1-CB 4.45Å; L137-N189 HydrophobicContact CD2-CB 4.01Å; L137-N189 VanDerWaalsContact CD2-ND2 3.34Å; L137-N189 WeakPolarHBondContact CD2-ND2 3.48Å; L137-N189 HydrophobicContact CG-CB 4.4Å; T185-N189 VanDerWaalsContact O-CG 3.31Å; T185-N189 PolarHBondContact O-N 3.13Å; T185-N189 PolarHBondContact O-OD1 2.71Å; N189-K191 VanDerWaalsContact C-N 3.32Å; N189-K191 PolarHBondContact O-N 2.93Å; N189-A192 PolarHBondContact O-N 2.81Å; N189-A192 VanDerWaalsContact O-N 3.16Å; N189-I193 WeakPolarHBondContact O-CG1 3.31Å; N189-I193 PolarHBondContact O-N 3.42Å
190S84.3Confident76.5Confident57 Ų5765.2 Ų65.240%0.39933%0.334SS..Hα-helixtrans-59.5-33.1169.7-60.90000114.3M186 E188 K194M186-S190 VanDerWaalsContact O-CB 3.3Å; M186-S190 WeakPolarHBondContact O-CB 3.4Å; M186-S190 PolarHBondContact O-N 2.73Å; M186-S190 PolarHBondContact O-OG 3.11Å; E188-S190 PolarHBondContact O-N 2.87Å; S190-K194 VanDerWaalsContact O-CB 3.28Å; S190-K194 WeakPolarHBondContact O-CB 3.36Å; S190-K194 VanDerWaalsContact O-CD 3.32Å; S190-K194 WeakPolarHBondContact O-CD 3.37Å; S190-K194 WeakPolarHBondContact O-CG 3.28Å; S190-K194 PolarHBondContact O-N 3.42Å
191K87.4Confident79.1Confident113 Ų11360.3 Ų60.349%0.49131%0.312SS..Hα-helixtrans-73.7-37.3174.2-69.7160.5-156.9163.90111.1R187 E188 N189 K195R187-K191 WeakPolarHBondContact O-CE 3.44Å; R187-K191 VanDerWaalsContact O-CG 3.22Å; R187-K191 WeakPolarHBondContact O-CG 3.39Å; R187-K191 PolarHBondContact O-N 3.19Å; E188-K191 CarbonylContact O-C 3.58Å; E188-K191 WeakPolarHBondContact O-CA 3.47Å; E188-K191 VanDerWaalsContact O-CB 3.31Å; E188-K191 WeakPolarHBondContact O-CB 3.41Å; E188-K191 PolarHBondContact O-N 2.96Å; N189-K191 VanDerWaalsContact C-N 3.32Å; N189-K191 PolarHBondContact O-N 2.93Å; K191-K195 WeakPolarHBondContact O-CB 3.49Å; K191-K195 WeakPolarHBondContact O-CG 3.34Å; K191-K195 PolarHBondContact O-N 2.99Å
192A87.4Confident80.8Confident7 Ų764.7 Ų64.76%0.05832%0.32CS..Hα-helixtrans-64.6-56178.600000110.6I141 T145 E188 N189 K194 K195 L196I141-A192 HydrophobicContact CG2-CB 4.3Å; T145-A192 HydrophobicContact CG2-CB 4.13Å; T145-A192 WeakPolarHBondContact CG2-O 3.13Å; E188-A192 PolarHBondContact O-N 2.84Å; N189-A192 PolarHBondContact O-N 2.81Å; N189-A192 VanDerWaalsContact O-N 3.16Å; A192-K194 VanDerWaalsContact C-N 3.26Å; A192-K194 PolarHBondContact O-N 3.04Å; A192-K195 WeakPolarHBondContact O-CB 3.06Å; A192-K195 PolarHBondContact O-N 2.74Å; A192-L196 PolarHBondContact O-N 2.83Å
193I89.9Confident82.6Confident42 Ų4263.7 Ų63.722%0.21531%0.306CS..Hα-helixtrans-56.4-40.6178.2-63168.4000111.2W133 L137 N189 L196 L197 F214 I283W133-I193 HydrophobicContact CZ2-CD1 4.34Å; L137-I193 HydrophobicContact CD1-CD1 4.11Å; L137-I193 HydrophobicContact CD1-CG1 4.23Å; N189-I193 WeakPolarHBondContact O-CG1 3.31Å; N189-I193 PolarHBondContact O-N 3.42Å; I193-L196 PolarHBondContact O-N 3.31Å; I193-L197 WeakPolarHBondContact O-CB 3.41Å; I193-L197 PolarHBondContact O-N 2.9Å; I193-F214 HydrophobicContact CG2-CD2 3.9Å; I193-F214 HydrophobicContact CG2-CE2 3.53Å; I193-F214 HydrophobicContact CG2-CZ 4.5Å; I193-I283 HydrophobicContact CD1-CD1 4.33Å; I193-I283 HydrophobicContact CG1-CD1 4.36Å; I193-I283 HydrophobicContact CG2-CD1 3.89Å
194K90.9Very high84.3Confident135 Ų13560.5 Ų60.559%0.58728%0.28SS*.Hα-helixtrans-67.7-35.9175.6-73.9174.7-174.9-177.80114.2S190 A192 Q198S190-K194 VanDerWaalsContact O-CB 3.28Å; S190-K194 WeakPolarHBondContact O-CB 3.36Å; S190-K194 VanDerWaalsContact O-CD 3.32Å; S190-K194 WeakPolarHBondContact O-CD 3.37Å; S190-K194 WeakPolarHBondContact O-CG 3.28Å; S190-K194 PolarHBondContact O-N 3.42Å; A192-K194 VanDerWaalsContact C-N 3.26Å; A192-K194 PolarHBondContact O-N 3.04Å; K194-Q198 VanDerWaalsContact O-CG 3.31Å; K194-Q198 WeakPolarHBondContact O-CG 3.32Å; K194-Q198 PolarHBondContact O-N 3.36Å
195K90.7Very high85.6Confident62 Ų6265 Ų6527%0.2729%0.289SS..Hα-helixtrans-68-42.4174.1-88.3175.9161.5-169.50111.4T145 K191 A192 L197 Q198 W199T145-K195 HydrophobicContact CG2-CB 3.26Å; T145-K195 HydrophobicContact CG2-CD 3.42Å; T145-K195 VanDerWaalsContact CG2-CD 3.42Å; T145-K195 HydrophobicContact CG2-CG 4.04Å; T145-K195 WeakPolarHBondContact O-CD 3.39Å; T145-K195 PolarHBondContact O-NZ 2.94Å; K191-K195 WeakPolarHBondContact O-CB 3.49Å; K191-K195 WeakPolarHBondContact O-CG 3.34Å; K191-K195 PolarHBondContact O-N 2.99Å; A192-K195 WeakPolarHBondContact O-CB 3.06Å; A192-K195 PolarHBondContact O-N 2.74Å; K195-L197 VanDerWaalsContact C-N 3.35Å; K195-Q198 WeakPolarHBondContact O-CB 3.16Å; K195-Q198 PolarHBondContact O-N 3.19Å; K195-Q198 VanDerWaalsContact O-N 3.17Å; K195-W199 PolarHBondContact O-N 2.81Å
196L92.4Very high86.9Confident0 Ų068.5 Ų68.50%030%0.303CS..Hα-helixtrans-58.5-47.9174178.664.9000110.2A192 I193 Q198 W199 I200 F214 I283 L290A192-L196 PolarHBondContact O-N 2.83Å; I193-L196 PolarHBondContact O-N 3.31Å; L196-Q198 VanDerWaalsContact C-N 3.3Å; L196-Q198 PolarHBondContact O-N 3.22Å; L196-W199 PolarHBondContact O-N 2.83Å; L196-W199 VanDerWaalsContact O-N 3.13Å; L196-I200 HydrophobicContact CD1-CD1 4.35Å; L196-I200 HydrophobicContact CG-CD1 3.99Å; L196-I200 WeakPolarHBondContact O-CD1 3.33Å; L196-I200 VanDerWaalsContact O-CG1 3.29Å; L196-I200 WeakPolarHBondContact O-CG1 3.24Å; L196-I200 PolarHBondContact O-N 2.87Å; L196-F214 HydrophobicContact CB-CZ 4.28Å; L196-F214 HydrophobicContact CD2-CE1 4.04Å; L196-F214 HydrophobicContact CD2-CZ 3.88Å; L196-F214 HydrophobicContact CG-CE1 4.29Å; L196-F214 HydrophobicContact CG-CZ 3.93Å; L196-I283 HydrophobicContact CD2-CG2 3.93Å; L196-L290 HydrophobicContact CD1-CB 4.12Å; L196-L290 HydrophobicContact CD1-CD2 3.78Å
197L93.4Very high88.3Confident29 Ų2964.8 Ų64.815%0.15228%0.282CS..Hα-helixtrans-57.3-40174.2-174.261.8000112.7I193 K195 I200 Q201 V211 F214I193-L197 WeakPolarHBondContact O-CB 3.41Å; I193-L197 PolarHBondContact O-N 2.9Å; K195-L197 VanDerWaalsContact C-N 3.35Å; L197-I200 PolarHBondContact O-N 3.4Å; L197-Q201 VanDerWaalsContact O-CB 3.32Å; L197-Q201 WeakPolarHBondContact O-CB 3.22Å; L197-Q201 VanDerWaalsContact O-CG 3.28Å; L197-Q201 WeakPolarHBondContact O-CG 3.42Å; L197-Q201 PolarHBondContact O-N 3.38Å; L197-V211 HydrophobicContact CD1-CG1 3.93Å; L197-F214 HydrophobicContact CB-CE2 3.8Å; L197-F214 HydrophobicContact CB-CZ 3.94Å; L197-F214 HydrophobicContact CD1-CE2 4.23Å; L197-F214 HydrophobicContact CD1-CZ 4.34Å; L197-F214 HydrophobicContact CG-CE2 4.45Å
198Q91.5Very high89.1Confident97 Ų9759.3 Ų59.345%0.45328%0.283SS..Hα-helixtrans-66.4-38.7175.6-75.3174.26.900113.1K194 K195 L196 R202K194-Q198 VanDerWaalsContact O-CG 3.31Å; K194-Q198 WeakPolarHBondContact O-CG 3.32Å; K194-Q198 PolarHBondContact O-N 3.36Å; K195-Q198 WeakPolarHBondContact O-CB 3.16Å; K195-Q198 PolarHBondContact O-N 3.19Å; K195-Q198 VanDerWaalsContact O-N 3.17Å; L196-Q198 VanDerWaalsContact C-N 3.3Å; L196-Q198 PolarHBondContact O-N 3.22Å; Q198-R202 VanDerWaalsContact O-CG 3.28Å; Q198-R202 WeakPolarHBondContact O-CG 3.5Å; Q198-R202 PolarHBondContact O-N 2.97Å
199W91.3Very high90Very high16 Ų1657.1 Ų57.16%0.06127%0.274CS..Hα-helixtrans-63.7-46.6175178.398.9000110.8K195 L196 R202 R203 V227 F289 L290 F293 P294K195-W199 PolarHBondContact O-N 2.81Å; L196-W199 PolarHBondContact O-N 2.83Å; L196-W199 VanDerWaalsContact O-N 3.13Å; W199-R202 PolarHBondContact O-N 3.49Å; W199-R203 PolarHBondContact O-N 3.29Å; W199-R203 VanDerWaalsContact O-N 3.13Å; W199-V227 HydrophobicContact CZ3-CG1 4.46Å; W199-F289 VanDerWaalsContact CH2-C 3.48Å; W199-F289 HydrophobicContact CH2-CB 4.04Å; W199-F289 WeakPolarHBondContact CH2-O 3.38Å; W199-F289 HydrophobicContact CZ3-CB 4.34Å; W199-L290 HydrophobicContact CD2-CD1 3.98Å; W199-L290 HydrophobicContact CE3-CB 4.46Å; W199-L290 HydrophobicContact CG-CD1 4.09Å; W199-L290 HydrophobicContact CH2-CB 4.16Å; W199-L290 HydrophobicContact CZ2-CB 4.15Å; W199-L290 HydrophobicContact CZ2-CD1 4.07Å; W199-L290 HydrophobicContact CZ3-CB 4.31Å; W199-F293 WeakPolarHBondContact CZ2-O 3.49Å; W199-P294 PolarHBondContact NE1-O 3.04Å
200I93.6Very high90.4Very high0 Ų059.2 Ų59.20%030%0.295CS..Hα-helixtrans-58.4-53175-62.7160.2000110.2L196 L197 R202 R203 T204 V211 F214 W218 V227 V286L196-I200 HydrophobicContact CD1-CD1 4.35Å; L196-I200 HydrophobicContact CG-CD1 3.99Å; L196-I200 WeakPolarHBondContact O-CD1 3.33Å; L196-I200 VanDerWaalsContact O-CG1 3.29Å; L196-I200 WeakPolarHBondContact O-CG1 3.24Å; L196-I200 PolarHBondContact O-N 2.87Å; L197-I200 PolarHBondContact O-N 3.4Å; I200-R202 VanDerWaalsContact C-N 3.28Å; I200-R202 PolarHBondContact O-N 3.38Å; I200-R203 CarbonylContact O-C 3.58Å; I200-R203 WeakPolarHBondContact O-CA 3.37Å; I200-R203 WeakPolarHBondContact O-CB 3.43Å; I200-R203 PolarHBondContact O-N 3.01Å; I200-T204 HydrophobicContact CG2-CG2 4.03Å; I200-T204 WeakPolarHBondContact O-CG2 3.29Å; I200-T204 PolarHBondContact O-N 3.17Å; I200-V211 HydrophobicContact CG2-CB 4.28Å; I200-V211 HydrophobicContact CG2-CG1 4.19Å; I200-V211 HydrophobicContact CG2-CG2 4.14Å; I200-F214 HydrophobicContact CD1-CE1 3.45Å; I200-F214 VanDerWaalsContact CD1-CE1 3.45Å; I200-F214 HydrophobicContact CD1-CZ 3.82Å; I200-W218 HydrophobicContact CD1-CH2 4.12Å; I200-W218 HydrophobicContact CD1-CZ2 3.93Å; I200-W218 HydrophobicContact CG1-CH2 4.46Å; I200-W218 HydrophobicContact CG2-CH2 3.63Å; I200-W218 HydrophobicContact CG2-CZ2 3.8Å; I200-V227 HydrophobicContact CG2-CG2 4.04Å; I200-V286 HydrophobicContact CD1-CB 4.36Å; I200-V286 HydrophobicContact CD1-CG1 3.41Å; I200-V286 VanDerWaalsContact CD1-CG1 3.41Å; I200-V286 HydrophobicContact CG1-CG1 3.71Å
201Q93.8Very high90.9Very high38 Ų3856.6 Ų56.618%0.17828%0.277CS..Hα-helixtrans-57.7-38-178.9-81.5-176.111.400112.8L197 R205 V211L197-Q201 VanDerWaalsContact O-CB 3.32Å; L197-Q201 WeakPolarHBondContact O-CB 3.22Å; L197-Q201 VanDerWaalsContact O-CG 3.28Å; L197-Q201 WeakPolarHBondContact O-CG 3.42Å; L197-Q201 PolarHBondContact O-N 3.38Å; Q201-R205 VanDerWaalsContact O-CB 3.27Å; Q201-R205 WeakPolarHBondContact O-CB 3.43Å; Q201-R205 WeakPolarHBondContact O-CD 3.15Å; Q201-R205 WeakPolarHBondContact O-CG 3.49Å; Q201-R205 PolarHBondContact O-N 3.43Å; Q201-R205 VanDerWaalsContact O-N 3.07Å; Q201-V211 WeakPolarHBondContact CG-O 3.18Å; Q201-V211 PolarHBondContact NE2-O 2.75Å
202R90.3Very high91.1Very high147 Ų14758.5 Ų58.556%0.55529%0.287SS*.Hα-helixtrans-63.4-45.3174.4-72.6167.2-174.3162.42.9111Q198 W199 I200Q198-R202 VanDerWaalsContact O-CG 3.28Å; Q198-R202 WeakPolarHBondContact O-CG 3.5Å; Q198-R202 PolarHBondContact O-N 2.97Å; W199-R202 PolarHBondContact O-N 3.49Å; I200-R202 VanDerWaalsContact C-N 3.28Å; I200-R202 PolarHBondContact O-N 3.38Å
203R89.5Confident91.3Very high25 Ų2560.3 Ų60.39%0.09430%0.296CS..Hα-helixtrans-65.1-38.7178.1-83-177.5171.4-72.67.3113.6W199 I200 S230 F293 T296W199-R203 PolarHBondContact O-N 3.29Å; W199-R203 VanDerWaalsContact O-N 3.13Å; I200-R203 CarbonylContact O-C 3.58Å; I200-R203 WeakPolarHBondContact O-CA 3.37Å; I200-R203 WeakPolarHBondContact O-CB 3.43Å; I200-R203 PolarHBondContact O-N 3.01Å; R203-S230 WeakPolarHBondContact CB-OG 3.49Å; R203-S230 VanDerWaalsContact CD-OG 3.23Å; R203-S230 WeakPolarHBondContact CD-OG 3.41Å; R203-S230 VanDerWaalsContact CG-OG 3.3Å; R203-S230 WeakPolarHBondContact CG-OG 3.07Å; R203-S230 VanDerWaalsContact NH1-C 3.34Å; R203-S230 PolarHBondContact NH1-O 2.99Å; R203-S230 PolarHBondContact NH1-OG 3.49Å; R203-S230 WeakPolarHBondContact O-CB 3.27Å; R203-F293 PolarHBondContact NH2-O 3.45Å; R203-T296 PolarHBondContact NH2-OG1 2.72Å
204T93.3Very high91.4Very high0 Ų058.6 Ų58.60%029%0.287CS..Hα-helixtrans-88.9-26.8-175.870.10000115.3I200 K206 Y207 V209 V211 A226 V227I200-T204 HydrophobicContact CG2-CG2 4.03Å; I200-T204 WeakPolarHBondContact O-CG2 3.29Å; I200-T204 PolarHBondContact O-N 3.17Å; T204-K206 VanDerWaalsContact C-N 3.27Å; T204-K206 PolarHBondContact O-N 3.17Å; T204-Y207 PolarHBondContact O-N 3.4Å; T204-V209 WeakPolarHBondContact CB-O 3.39Å; T204-V209 PolarHBondContact OG1-O 3Å; T204-V211 HydrophobicContact CG2-CG2 4.1Å; T204-A226 HydrophobicContact CG2-CB 3.8Å; T204-V227 HydrophobicContact CG2-CG2 3.72Å
205R90.1Very high91.5Very high168 Ų16852.3 Ų52.363%0.63426%0.261SS*.Hα-helixtrans-55.2-37.8-175.8-85.8165.1-166.2-124.36.8113.3Q201 Y207 G208Q201-R205 VanDerWaalsContact O-CB 3.27Å; Q201-R205 WeakPolarHBondContact O-CB 3.43Å; Q201-R205 WeakPolarHBondContact O-CD 3.15Å; Q201-R205 WeakPolarHBondContact O-CG 3.49Å; Q201-R205 PolarHBondContact O-N 3.43Å; Q201-R205 VanDerWaalsContact O-N 3.07Å; R205-Y207 PolarHBondContact O-N 3.07Å; R205-Y207 VanDerWaalsContact O-N 3.11Å; R205-G208 PolarHBondContact O-N 3.13Å; R205-G208 VanDerWaalsContact O-N 3.07Å
206K88Confident91.5Very high90 Ų9056.2 Ų56.239%0.39128%0.277SS..THydrogen-bonded Turntrans-62.9-13.3177.456.2168.9170.3172.10114.7T204 E298T204-K206 VanDerWaalsContact C-N 3.27Å; T204-K206 PolarHBondContact O-N 3.17Å; K206-E298 IonicContact NZ-OE1 2.68Å; K206-E298 PolarHBondContact NZ-OE1 3.43Å; K206-E298 IonicContact NZ-OE2 2.88Å; K206-E298 PolarHBondContact NZ-OE2 2.73Å
207Y90.6Very high91.5Very high53 Ų5357.4 Ų57.421%0.20829%0.286CS..THydrogen-bonded Turntrans-10910.5176.4-51.8-58.2000113.6T204 R205 V209 A226 K229 M238T204-Y207 PolarHBondContact O-N 3.4Å; R205-Y207 PolarHBondContact O-N 3.07Å; R205-Y207 VanDerWaalsContact O-N 3.11Å; Y207-V209 PolarHBondContact O-N 3.35Å; Y207-A226 HydrophobicContact CD2-CB 4.04Å; Y207-A226 WeakPolarHBondContact CD2-O 3.38Å; Y207-A226 WeakPolarHBondContact CE2-O 3.43Å; Y207-K229 HydrophobicContact CD1-CD 3.96Å; Y207-K229 HydrophobicContact CD2-CB 4.43Å; Y207-K229 HydrophobicContact CE1-CD 3.74Å; Y207-K229 HydrophobicContact CE1-CG 3.96Å; Y207-K229 HydrophobicContact CE2-CB 3.98Å; Y207-K229 HydrophobicContact CE2-CG 4.23Å; Y207-K229 HydrophobicContact CG-CD 4.49Å; Y207-K229 PolarHBondContact OH-O 3.13Å; Y207-M238 HydrophobicContact CG-CG 4.48Å
208G88.2Confident91.5Very high69 Ų6956 Ų5671%0.71128%0.279SS*.THydrogen-bonded Turntrans74.93.8-179.700000115.2R205 A210R205-G208 PolarHBondContact O-N 3.13Å; R205-G208 VanDerWaalsContact O-N 3.07Å; G208-A210 PolarHBondContact O-N 2.9Å
209V92.3Very high91.6Very high23 Ų2353.7 Ų53.714%0.13927%0.271CS..  trans-91.3104.2-178.4-1770000110.4T204 Y207 V211 L222 A223 A226 M238T204-V209 WeakPolarHBondContact CB-O 3.39Å; T204-V209 PolarHBondContact OG1-O 3Å; Y207-V209 PolarHBondContact O-N 3.35Å; V209-V211 HydrophobicContact CG1-CG2 4.39Å; V209-V211 PolarHBondContact O-N 3.16Å; V209-L222 HydrophobicContact CG1-CB 4.35Å; V209-L222 HydrophobicContact CG2-CB 4.19Å; V209-A223 HydrophobicContact CG1-CB 4.35Å; V209-A226 HydrophobicContact CB-CB 4.01Å; V209-A226 HydrophobicContact CG1-CB 4.47Å; V209-A226 HydrophobicContact CG2-CB 3.97Å; V209-M238 HydrophobicContact CG2-CE 3.79Å
210A90.1Very high91.7Very high73 Ų7354.7 Ų54.760%0.60328%0.28SS*.  trans-8793-178.100000112.1G208G208-A210 PolarHBondContact O-N 2.9Å
211V93.5Very high91.7Very high2 Ų254.7 Ų54.71%0.01228%0.28CS..  trans-79.8121173.7-177.20000110.1L197 I200 Q201 T204 V209 D213 W218 A223L197-V211 HydrophobicContact CD1-CG1 3.93Å; I200-V211 HydrophobicContact CG2-CB 4.28Å; I200-V211 HydrophobicContact CG2-CG1 4.19Å; I200-V211 HydrophobicContact CG2-CG2 4.14Å; Q201-V211 WeakPolarHBondContact CG-O 3.18Å; Q201-V211 PolarHBondContact NE2-O 2.75Å; T204-V211 HydrophobicContact CG2-CG2 4.1Å; V209-V211 HydrophobicContact CG1-CG2 4.39Å; V209-V211 PolarHBondContact O-N 3.16Å; V211-D213 WeakPolarHBondContact CG1-O 3.41Å; V211-W218 HydrophobicContact CG1-CZ2 3.63Å; V211-W218 HydrophobicContact CG2-CZ2 4.46Å; V211-A223 HydrophobicContact CG2-CB 3.83Å
212Q91.9Very high91.7Very high152 Ų15254.3 Ų54.371%0.7128%0.279SS*.  trans-113.4-30.2-177.1-62.4-174.15100113.6S217Q212-S217 PolarHBondContact N-OG 3.23Å
213D91.8Very high92Very high46 Ų4647.3 Ų47.325%0.24625%0.253CS..SBendtrans-132.7177.6-177.563.22.9000110.7V211 G215 K216 S217 W218V211-D213 WeakPolarHBondContact CG1-O 3.41Å; D213-G215 VanDerWaalsContact C-N 3.34Å; D213-G215 PolarHBondContact OD1-N 3.23Å; D213-K216 VanDerWaalsContact CG-N 3.34Å; D213-K216 PolarHBondContact OD1-N 2.86Å; D213-K216 VanDerWaalsContact OD1-N 3.17Å; D213-K216 PolarHBondContact OD2-N 3.29Å; D213-S217 PolarHBondContact N-OG 2.91Å; D213-S217 WeakPolarHBondContact OD1-CB 3.4Å; D213-S217 PolarHBondContact OD1-N 3.41Å; D213-S217 PolarHBondContact OD1-OG 3.2Å; D213-W218 PolarHBondContact O-NE1 2.84Å
214F93.1Very high92.3Very high6 Ų646.2 Ų46.23%0.02625%0.249CC..SBendtrans-94.96.7165.2-72.4-79.4000112.7I193 L196 L197 I200 W218 E279 I282 I283I193-F214 HydrophobicContact CG2-CD2 3.9Å; I193-F214 HydrophobicContact CG2-CE2 3.53Å; I193-F214 HydrophobicContact CG2-CZ 4.5Å; L196-F214 HydrophobicContact CB-CZ 4.28Å; L196-F214 HydrophobicContact CD2-CE1 4.04Å; L196-F214 HydrophobicContact CD2-CZ 3.88Å; L196-F214 HydrophobicContact CG-CE1 4.29Å; L196-F214 HydrophobicContact CG-CZ 3.93Å; L197-F214 HydrophobicContact CB-CE2 3.8Å; L197-F214 HydrophobicContact CB-CZ 3.94Å; L197-F214 HydrophobicContact CD1-CE2 4.23Å; L197-F214 HydrophobicContact CD1-CZ 4.34Å; L197-F214 HydrophobicContact CG-CE2 4.45Å; I200-F214 HydrophobicContact CD1-CE1 3.45Å; I200-F214 VanDerWaalsContact CD1-CE1 3.45Å; I200-F214 HydrophobicContact CD1-CZ 3.82Å; F214-W218 HydrophobicContact CD1-CZ2 4.49Å; F214-E279 HydrophobicContact CB-CB 4.01Å; F214-E279 HydrophobicContact CB-CG 4.29Å; F214-I282 HydrophobicContact CB-CG2 4.44Å; F214-I282 HydrophobicContact CD1-CG2 4.21Å; F214-I282 VanDerWaalsContact O-CB 3.28Å; F214-I282 WeakPolarHBondContact O-CB 3.49Å; F214-I282 WeakPolarHBondContact O-CG1 3.47Å; F214-I282 WeakPolarHBondContact O-CG2 3.32Å; F214-I283 HydrophobicContact CB-CD1 4.15Å; F214-I283 HydrophobicContact CB-CG1 3.77Å; F214-I283 HydrophobicContact CD1-CB 4.41Å; F214-I283 HydrophobicContact CD1-CD1 4.49Å; F214-I283 HydrophobicContact CD1-CG1 3.43Å; F214-I283 VanDerWaalsContact CD1-CG1 3.43Å; F214-I283 HydrophobicContact CD2-CD1 3.86Å; F214-I283 HydrophobicContact CD2-CG1 3.63Å; F214-I283 HydrophobicContact CE1-CG1 3.81Å; F214-I283 HydrophobicContact CE2-CD1 4.37Å; F214-I283 HydrophobicContact CE2-CG1 4.01Å; F214-I283 HydrophobicContact CG-CD1 3.93Å; F214-I283 HydrophobicContact CG-CG1 3.31Å; F214-I283 HydrophobicContact CZ-CG1 4.09Å
215G91.7Very high92.5Very high3 Ų346.2 Ų46.23%0.03125%0.249CC..SBendtrans-104.6-101.917800000112.4D213 S217 W218 P277D213-G215 VanDerWaalsContact C-N 3.34Å; D213-G215 PolarHBondContact OD1-N 3.23Å; G215-S217 VanDerWaalsContact C-N 3.26Å; G215-S217 PolarHBondContact O-N 3.21Å; G215-S217 VanDerWaalsContact O-N 3.16Å; G215-W218 PolarHBondContact O-N 3.42Å; G215-W218 VanDerWaalsContact O-N 3.16Å; G215-P277 VanDerWaalsContact O-CG 3.26Å; G215-P277 WeakPolarHBondContact O-CG 3.2Å
216K90.4Very high92.8Very high143 Ų14338.2 Ų38.262%0.62222%0.219SC*.G310 helixtrans-64.7-26.9-163.5-66.8177.8-178.3174.90113.5D213 W218 T219 A276D213-K216 VanDerWaalsContact CG-N 3.34Å; D213-K216 PolarHBondContact OD1-N 2.86Å; D213-K216 VanDerWaalsContact OD1-N 3.17Å; D213-K216 PolarHBondContact OD2-N 3.29Å; K216-W218 PolarHBondContact O-N 3.42Å; K216-W218 VanDerWaalsContact O-N 3.15Å; K216-T219 PolarHBondContact O-N 2.97Å; K216-T219 PolarHBondContact O-OG1 2.83Å; K216-A276 HydrophobicContact CG-CB 4.48Å
217S92.9Very high93.1Very high26 Ų2634 Ų3418%0.18220%0.201CC..G310 helixtrans-56-28.6176.5-55.30000113.6Q212 D213 G215Q212-S217 PolarHBondContact N-OG 3.23Å; D213-S217 PolarHBondContact N-OG 2.91Å; D213-S217 WeakPolarHBondContact OD1-CB 3.4Å; D213-S217 PolarHBondContact OD1-N 3.41Å; D213-S217 PolarHBondContact OD1-OG 3.2Å; G215-S217 VanDerWaalsContact C-N 3.26Å; G215-S217 PolarHBondContact O-N 3.21Å; G215-S217 VanDerWaalsContact O-N 3.16Å
218W94.4Very high93.3Very high0 Ų031.5 Ų31.50%019%0.191CC..G310 helixtrans-93-21.2-171-59.986.4000113.9I200 V211 D213 F214 G215 K216 S220 G221 A223 F224 V227 I282 V286I200-W218 HydrophobicContact CD1-CH2 4.12Å; I200-W218 HydrophobicContact CD1-CZ2 3.93Å; I200-W218 HydrophobicContact CG1-CH2 4.46Å; I200-W218 HydrophobicContact CG2-CH2 3.63Å; I200-W218 HydrophobicContact CG2-CZ2 3.8Å; V211-W218 HydrophobicContact CG1-CZ2 3.63Å; V211-W218 HydrophobicContact CG2-CZ2 4.46Å; D213-W218 PolarHBondContact O-NE1 2.84Å; F214-W218 HydrophobicContact CD1-CZ2 4.49Å; G215-W218 PolarHBondContact O-N 3.42Å; G215-W218 VanDerWaalsContact O-N 3.16Å; K216-W218 PolarHBondContact O-N 3.42Å; K216-W218 VanDerWaalsContact O-N 3.15Å; W218-S220 PolarHBondContact O-N 3.31Å; W218-G221 PolarHBondContact O-N 3.31Å; W218-A223 HydrophobicContact CD2-CB 3.76Å; W218-A223 HydrophobicContact CE3-CB 3.37Å; W218-A223 HydrophobicContact CG-CB 4.38Å; W218-A223 HydrophobicContact CH2-CB 4.29Å; W218-A223 HydrophobicContact CZ3-CB 3.67Å; W218-F224 HydrophobicContact CB-CE2 4.01Å; W218-F224 HydrophobicContact CB-CZ 4.27Å; W218-F224 HydrophobicContact CD2-CE1 4.42Å; W218-F224 HydrophobicContact CD2-CE2 4.47Å; W218-F224 HydrophobicContact CD2-CZ 4.21Å; W218-F224 AromaticContact CE3-CD1 3.63Å; W218-F224 HydrophobicContact CE3-CD1 3.63Å; W218-F224 AromaticContact CE3-CD2 3.91Å; W218-F224 HydrophobicContact CE3-CD2 3.91Å; W218-F224 AromaticContact CE3-CE1 3.43Å; W218-F224 HydrophobicContact CE3-CE1 3.43Å; W218-F224 VanDerWaalsContact CE3-CE1 3.43Å; W218-F224 AromaticContact CE3-CE2 3.75Å; W218-F224 HydrophobicContact CE3-CE2 3.75Å; W218-F224 AromaticContact CE3-CG 3.87Å; W218-F224 HydrophobicContact CE3-CG 3.87Å; W218-F224 AromaticContact CE3-CZ 3.51Å; W218-F224 HydrophobicContact CE3-CZ 3.51Å; W218-F224 AromaticContact CZ3-CD1 3.61Å; W218-F224 HydrophobicContact CZ3-CD1 3.61Å; W218-F224 AromaticContact CZ3-CE1 3.68Å; W218-F224 HydrophobicContact CZ3-CE1 3.68Å; W218-F224 HydrophobicContact CZ3-CG 4.09Å; W218-F224 HydrophobicContact CZ3-CZ 4.25Å; W218-V227 HydrophobicContact CH2-CG2 4.31Å; W218-V227 HydrophobicContact CZ3-CG2 4.49Å; W218-I282 HydrophobicContact CB-CD1 4.17Å; W218-I282 HydrophobicContact CB-CG2 4.32Å; W218-I282 HydrophobicContact CD2-CG2 3.81Å; W218-I282 HydrophobicContact CE3-CG2 4.46Å; W218-I282 HydrophobicContact CG-CG2 3.69Å; W218-V286 HydrophobicContact CE3-CG2 4.2Å; W218-V286 HydrophobicContact CH2-CB 4.41Å; W218-V286 HydrophobicContact CH2-CG1 3.92Å; W218-V286 HydrophobicContact CH2-CG2 3.6Å; W218-V286 HydrophobicContact CZ2-CG2 4.14Å; W218-V286 HydrophobicContact CZ3-CG2 3.64Å
219T92.8Very high93.6Very high48 Ų4830.1 Ų30.129%0.29417%0.165SC..THydrogen-bonded Turntrans-51.2-32.6-178.557.30000114K216 G221 P246 P277K216-T219 PolarHBondContact O-N 2.97Å; K216-T219 PolarHBondContact O-OG1 2.83Å; T219-G221 VanDerWaalsContact C-N 3.29Å; T219-G221 PolarHBondContact O-N 2.76Å; T219-P246 WeakPolarHBondContact O-CB 3.22Å; T219-P277 HydrophobicContact CG2-CG 3.86Å
220S92.7Very high93.6Very high36 Ų3629.2 Ų29.225%0.25216%0.16SC..THydrogen-bonded Turntrans-72.6-12.7-179.6660000115.4W218 L222 N249W218-S220 PolarHBondContact O-N 3.31Å; S220-L222 PolarHBondContact O-N 3.33Å; S220-L222 PolarHBondContact OG-N 3.3Å; S220-N249 PolarHBondContact O-ND2 2.81Å
221G94.1Very high93.7Very high0 Ų026.9 Ų26.90%014%0.137CC..SBendtrans71.3-22.3-168.500000114.8W218 T219 A223 F224 L225W218-G221 PolarHBondContact O-N 3.31Å; T219-G221 VanDerWaalsContact C-N 3.29Å; T219-G221 PolarHBondContact O-N 2.76Å; G221-A223 PolarHBondContact O-N 3.04Å; G221-F224 PolarHBondContact O-N 3.4Å; G221-L225 PolarHBondContact O-N 3.09Å; G221-L225 VanDerWaalsContact O-N 3.12Å
222L95Very high93.5Very high30 Ų3029.6 Ų29.616%0.15715%0.152CC..Hα-helixtrans-60.4-30.2-177.1-59.8176.4000113.2V209 S220 A226 A241 L242V209-L222 HydrophobicContact CG1-CB 4.35Å; V209-L222 HydrophobicContact CG2-CB 4.19Å; S220-L222 PolarHBondContact O-N 3.33Å; S220-L222 PolarHBondContact OG-N 3.3Å; L222-A226 WeakPolarHBondContact O-CB 3.4Å; L222-A226 PolarHBondContact O-N 2.94Å; L222-A241 HydrophobicContact CD2-CB 3.68Å; L222-L242 HydrophobicContact CD1-CD2 3.84Å; L222-L242 HydrophobicContact CD2-CD2 4.45Å
223A95.8Very high93.4Very high0 Ų025.9 Ų25.90%014%0.142CC..Hα-helixtrans-65.3-47.1176.700000112V209 V211 W218 G221 A226 V227V209-A223 HydrophobicContact CG1-CB 4.35Å; V211-A223 HydrophobicContact CG2-CB 3.83Å; W218-A223 HydrophobicContact CD2-CB 3.76Å; W218-A223 HydrophobicContact CE3-CB 3.37Å; W218-A223 HydrophobicContact CG-CB 4.38Å; W218-A223 HydrophobicContact CH2-CB 4.29Å; W218-A223 HydrophobicContact CZ3-CB 3.67Å; G221-A223 PolarHBondContact O-N 3.04Å; A223-A226 PolarHBondContact O-N 3.32Å; A223-V227 WeakPolarHBondContact O-CG2 3.28Å; A223-V227 PolarHBondContact O-N 2.95Å
224F96.8Very high93.4Very high2 Ų227.8 Ų27.81%0.00916%0.16CC..Hα-helixtrans-63.9-46.1175.1-62.5-70.7000111.5W218 G221 A226 V227 I228 L250 A253 F254 L267 V272 I282 Y285 V286W218-F224 HydrophobicContact CB-CE2 4.01Å; W218-F224 HydrophobicContact CB-CZ 4.27Å; W218-F224 HydrophobicContact CD2-CE1 4.42Å; W218-F224 HydrophobicContact CD2-CE2 4.47Å; W218-F224 HydrophobicContact CD2-CZ 4.21Å; W218-F224 AromaticContact CE3-CD1 3.63Å; W218-F224 HydrophobicContact CE3-CD1 3.63Å; W218-F224 AromaticContact CE3-CD2 3.91Å; W218-F224 HydrophobicContact CE3-CD2 3.91Å; W218-F224 AromaticContact CE3-CE1 3.43Å; W218-F224 HydrophobicContact CE3-CE1 3.43Å; W218-F224 VanDerWaalsContact CE3-CE1 3.43Å; W218-F224 AromaticContact CE3-CE2 3.75Å; W218-F224 HydrophobicContact CE3-CE2 3.75Å; W218-F224 AromaticContact CE3-CG 3.87Å; W218-F224 HydrophobicContact CE3-CG 3.87Å; W218-F224 AromaticContact CE3-CZ 3.51Å; W218-F224 HydrophobicContact CE3-CZ 3.51Å; W218-F224 AromaticContact CZ3-CD1 3.61Å; W218-F224 HydrophobicContact CZ3-CD1 3.61Å; W218-F224 AromaticContact CZ3-CE1 3.68Å; W218-F224 HydrophobicContact CZ3-CE1 3.68Å; W218-F224 HydrophobicContact CZ3-CG 4.09Å; W218-F224 HydrophobicContact CZ3-CZ 4.25Å; G221-F224 PolarHBondContact O-N 3.4Å; F224-A226 VanDerWaalsContact C-N 3.28Å; F224-A226 PolarHBondContact O-N 3.41Å; F224-V227 PolarHBondContact O-N 3.41Å; F224-V227 VanDerWaalsContact O-N 3.13Å; F224-I228 VanDerWaalsContact O-CG1 3.32Å; F224-I228 WeakPolarHBondContact O-CG1 3.24Å; F224-I228 PolarHBondContact O-N 2.82Å; F224-L250 HydrophobicContact CD2-CD2 3.56Å; F224-L250 HydrophobicContact CE2-CD2 3.54Å; F224-A253 HydrophobicContact CB-CB 3.64Å; F224-F254 HydrophobicContact CD1-CE1 4.22Å; F224-F254 AromaticContact CD2-CE1 3.85Å; F224-F254 HydrophobicContact CD2-CE1 3.85Å; F224-F254 HydrophobicContact CD2-CZ 4.36Å; F224-F254 HydrophobicContact CE1-CE1 4.23Å; F224-F254 AromaticContact CE2-CE1 3.84Å; F224-F254 HydrophobicContact CE2-CE1 3.84Å; F224-F254 HydrophobicContact CE2-CZ 4.01Å; F224-F254 HydrophobicContact CG-CE1 4.03Å; F224-F254 HydrophobicContact CZ-CE1 4.03Å; F224-F254 HydrophobicContact CZ-CZ 4.29Å; F224-L267 HydrophobicContact CZ-CD1 4.46Å; F224-V272 HydrophobicContact CE2-CG1 4.44Å; F224-I282 HydrophobicContact CE2-CD1 4.46Å; F224-I282 HydrophobicContact CZ-CD1 3.87Å; F224-I282 HydrophobicContact CZ-CG2 4.45Å; F224-Y285 HydrophobicContact CD1-CD1 4.16Å; F224-Y285 AromaticContact CD1-CE1 3.98Å; F224-Y285 HydrophobicContact CD1-CE1 3.98Å; F224-Y285 AromaticContact CE1-CD1 3.55Å; F224-Y285 HydrophobicContact CE1-CD1 3.55Å; F224-Y285 AromaticContact CE1-CE1 3.84Å; F224-Y285 HydrophobicContact CE1-CE1 3.84Å; F224-Y285 HydrophobicContact CZ-CD1 4.18Å; F224-V286 HydrophobicContact CD1-CG2 4.29Å; F224-V286 HydrophobicContact CE1-CG2 3.65Å
225L96Very high93.4Very high1 Ų130 Ų301%0.00517%0.171CC..Hα-helixtrans-59.9-36.9176.8-69.2176.5000112.5G221 K229 V236 M238 A241 N249 A253G221-L225 PolarHBondContact O-N 3.09Å; G221-L225 VanDerWaalsContact O-N 3.12Å; L225-K229 VanDerWaalsContact O-CB 3.32Å; L225-K229 WeakPolarHBondContact O-CB 3.12Å; L225-K229 PolarHBondContact O-N 3.1Å; L225-V236 HydrophobicContact CB-CG1 3.98Å; L225-V236 HydrophobicContact CD2-CG1 4.23Å; L225-V236 HydrophobicContact CD2-CG2 4.08Å; L225-M238 HydrophobicContact CB-SD 4.28Å; L225-A241 HydrophobicContact CD1-CB 3.57Å; L225-N249 HydrophobicContact CD1-CB 3.75Å; L225-A253 HydrophobicContact CD2-CB 3.72Å; L225-A253 HydrophobicContact CG-CB 3.99Å
226A95.9Very high93.4Very high0 Ų030.2 Ų30.20%017%0.172CC..Hα-helixtrans-70.7-35.7174.500000113.2T204 Y207 V209 L222 A223 F224 S230 M238T204-A226 HydrophobicContact CG2-CB 3.8Å; Y207-A226 HydrophobicContact CD2-CB 4.04Å; Y207-A226 WeakPolarHBondContact CD2-O 3.38Å; Y207-A226 WeakPolarHBondContact CE2-O 3.43Å; V209-A226 HydrophobicContact CB-CB 4.01Å; V209-A226 HydrophobicContact CG1-CB 4.47Å; V209-A226 HydrophobicContact CG2-CB 3.97Å; L222-A226 WeakPolarHBondContact O-CB 3.4Å; L222-A226 PolarHBondContact O-N 2.94Å; A223-A226 PolarHBondContact O-N 3.32Å; F224-A226 VanDerWaalsContact C-N 3.28Å; F224-A226 PolarHBondContact O-N 3.41Å; A226-S230 PolarHBondContact O-N 3.43Å; A226-S230 VanDerWaalsContact O-N 3.12Å; A226-M238 HydrophobicContact CB-CE 3.98Å
227V95.4Very high93.6Very high2 Ų225.7 Ų25.71%0.01215%0.154CC..Hα-helixtrans-65.8-48.8172.6172.20000110.3W199 I200 T204 W218 A223 F224 K229 S230 I231 F289W199-V227 HydrophobicContact CZ3-CG1 4.46Å; I200-V227 HydrophobicContact CG2-CG2 4.04Å; T204-V227 HydrophobicContact CG2-CG2 3.72Å; W218-V227 HydrophobicContact CH2-CG2 4.31Å; W218-V227 HydrophobicContact CZ3-CG2 4.49Å; A223-V227 WeakPolarHBondContact O-CG2 3.28Å; A223-V227 PolarHBondContact O-N 2.95Å; F224-V227 PolarHBondContact O-N 3.41Å; F224-V227 VanDerWaalsContact O-N 3.13Å; V227-K229 VanDerWaalsContact C-N 3.35Å; V227-K229 PolarHBondContact O-N 2.93Å; V227-S230 WeakPolarHBondContact O-CB 3.46Å; V227-S230 PolarHBondContact O-N 2.92Å; V227-S230 PolarHBondContact O-OG 3.26Å; V227-I231 HydrophobicContact CG1-CD1 4.19Å; V227-I231 PolarHBondContact O-N 3Å; V227-F289 HydrophobicContact CG1-CB 4Å; V227-F289 HydrophobicContact CG1-CD1 3.7Å; V227-F289 HydrophobicContact CG1-CE1 4.45Å; V227-F289 HydrophobicContact CG1-CG 3.98Å
228I95.3Very high93.6Very high0 Ų025.4 Ų25.40%015%0.15CC..Hα-helixtrans-55.2-49.8175.6-68.3163.1000110.4F224 S230 I231 D232 L235 V236 A253 I256 A257 L261 F289F224-I228 VanDerWaalsContact O-CG1 3.32Å; F224-I228 WeakPolarHBondContact O-CG1 3.24Å; F224-I228 PolarHBondContact O-N 2.82Å; I228-S230 PolarHBondContact O-N 3.39Å; I228-I231 WeakPolarHBondContact O-CB 3.39Å; I228-I231 PolarHBondContact O-N 3.09Å; I228-D232 PolarHBondContact O-N 3.37Å; I228-L235 HydrophobicContact CG2-CB 4.33Å; I228-L235 HydrophobicContact CG2-CD1 4.21Å; I228-V236 HydrophobicContact CB-CG2 4.2Å; I228-V236 HydrophobicContact CG2-CG2 3.61Å; I228-A253 HydrophobicContact CD1-CB 3.85Å; I228-A253 VanDerWaalsContact CD1-O 3.24Å; I228-A253 WeakPolarHBondContact CD1-O 3.49Å; I228-I256 HydrophobicContact CG2-CG2 3.64Å; I228-A257 HydrophobicContact CD1-CB 4.31Å; I228-L261 HydrophobicContact CB-CD1 4.45Å; I228-L261 HydrophobicContact CG1-CD1 4.11Å; I228-L261 HydrophobicContact CG2-CD1 4.2Å; I228-F289 HydrophobicContact CD1-CE1 4.48Å; I228-F289 HydrophobicContact CG1-CE1 3.76Å
229K94.1Very high93.5Very high40 Ų4034 Ų3417%0.17418%0.183CC..Hα-helixtrans-62-26.2178.9-163.5174.3176.3640113.7Y207 L225 V227 I231 D232 S233 V236 M238Y207-K229 HydrophobicContact CD1-CD 3.96Å; Y207-K229 HydrophobicContact CD2-CB 4.43Å; Y207-K229 HydrophobicContact CE1-CD 3.74Å; Y207-K229 HydrophobicContact CE1-CG 3.96Å; Y207-K229 HydrophobicContact CE2-CB 3.98Å; Y207-K229 HydrophobicContact CE2-CG 4.23Å; Y207-K229 HydrophobicContact CG-CD 4.49Å; Y207-K229 PolarHBondContact OH-O 3.13Å; L225-K229 VanDerWaalsContact O-CB 3.32Å; L225-K229 WeakPolarHBondContact O-CB 3.12Å; L225-K229 PolarHBondContact O-N 3.1Å; V227-K229 VanDerWaalsContact C-N 3.35Å; V227-K229 PolarHBondContact O-N 2.93Å; K229-I231 VanDerWaalsContact C-N 3.29Å; K229-D232 WeakPolarHBondContact CA-O 3.28Å; K229-D232 CarbonylContact O-C 3.43Å; K229-S233 PolarHBondContact NZ-O 3.04Å; K229-S233 WeakPolarHBondContact O-CA 3.23Å; K229-S233 PolarHBondContact O-N 3.41Å; K229-V236 HydrophobicContact CB-CB 4.05Å; K229-V236 HydrophobicContact CB-CG1 4.33Å; K229-V236 HydrophobicContact CD-CB 4.42Å; K229-V236 HydrophobicContact CD-CG1 4.44Å; K229-V236 WeakPolarHBondContact CD-O 3.15Å; K229-V236 WeakPolarHBondContact CE-O 3.4Å; K229-V236 HydrophobicContact CG-CB 4.31Å; K229-V236 PolarHBondContact NZ-O 3.33Å; K229-M238 HydrophobicContact CD-CG 3.58Å; K229-M238 HydrophobicContact CD-SD 4.08Å
230S92.7Very high93.5Very high4 Ų437.7 Ų37.73%0.02820%0.195CC..Hα-helixtrans-75.5-18.6175.484.90000113.6R203 A226 V227 I228R203-S230 WeakPolarHBondContact CB-OG 3.49Å; R203-S230 VanDerWaalsContact CD-OG 3.23Å; R203-S230 WeakPolarHBondContact CD-OG 3.41Å; R203-S230 VanDerWaalsContact CG-OG 3.3Å; R203-S230 WeakPolarHBondContact CG-OG 3.07Å; R203-S230 VanDerWaalsContact NH1-C 3.34Å; R203-S230 PolarHBondContact NH1-O 2.99Å; R203-S230 PolarHBondContact NH1-OG 3.49Å; R203-S230 WeakPolarHBondContact O-CB 3.27Å; A226-S230 PolarHBondContact O-N 3.43Å; A226-S230 VanDerWaalsContact O-N 3.12Å; V227-S230 WeakPolarHBondContact O-CB 3.46Å; V227-S230 PolarHBondContact O-N 2.92Å; V227-S230 PolarHBondContact O-OG 3.26Å; I228-S230 PolarHBondContact O-N 3.39Å
231I91.1Very high93.6Very high24 Ų2436 Ų3612%0.12318%0.183CC..Hα-helixtrans-92.4-52.6179.4-65.8161.9000108.8V227 I228 K229 L261 F289 F293V227-I231 HydrophobicContact CG1-CD1 4.19Å; V227-I231 PolarHBondContact O-N 3Å; I228-I231 WeakPolarHBondContact O-CB 3.39Å; I228-I231 PolarHBondContact O-N 3.09Å; K229-I231 VanDerWaalsContact C-N 3.29Å; I231-L261 HydrophobicContact CD1-CD1 4.12Å; I231-L261 HydrophobicContact CG2-CD1 4.37Å; I231-L261 HydrophobicContact CG2-CD2 3.86Å; I231-F289 HydrophobicContact CD1-CB 4.43Å; I231-F289 HydrophobicContact CD1-CD1 3.86Å; I231-F293 HydrophobicContact CD1-CB 4.09Å; I231-F293 HydrophobicContact CD1-CD2 3.81Å; I231-F293 HydrophobicContact CD1-CG 4.03Å; I231-F293 HydrophobicContact CG1-CB 4.04Å; I231-F293 HydrophobicContact CG1-CD2 4.43Å; I231-F293 HydrophobicContact CG1-CG 4.17Å; I231-F293 HydrophobicContact CG2-CB 4.19Å; I231-F293 HydrophobicContact CG2-CD1 3.4Å; I231-F293 VanDerWaalsContact CG2-CD1 3.4Å; I231-F293 HydrophobicContact CG2-CD2 3.99Å; I231-F293 HydrophobicContact CG2-CE1 3.69Å; I231-F293 HydrophobicContact CG2-CE2 4.25Å; I231-F293 HydrophobicContact CG2-CG 3.56Å; I231-F293 HydrophobicContact CG2-CZ 4.11Å
232D90.3Very high93.5Very high59 Ų5941.8 Ų41.832%0.31621%0.213SC..  trans-129.7118.1167.8-179.3-5.4000110.1I228 K229 S234 L235I228-D232 PolarHBondContact O-N 3.37Å; K229-D232 WeakPolarHBondContact CA-O 3.28Å; K229-D232 CarbonylContact O-C 3.43Å; D232-S234 PolarHBondContact O-N 3.37Å; D232-S234 VanDerWaalsContact OD1-CB 3.27Å; D232-S234 WeakPolarHBondContact OD1-CB 3.34Å; D232-S234 PolarHBondContact OD1-N 3.28Å; D232-S234 PolarHBondContact OD1-OG 3.34Å; D232-S234 PolarHBondContact OD2-OG 3.32Å; D232-L235 HydrophobicContact CB-CD1 3.82Å; D232-L235 HydrophobicContact CB-CG 3.94Å; D232-L235 WeakPolarHBondContact OD2-CG 3.3Å
233S89.8Confident93.4Very high73 Ų7347.7 Ų47.751%0.5125%0.245SC..SBendtrans-68-18.2-179.1770000114.2K229K229-S233 PolarHBondContact NZ-O 3.04Å; K229-S233 WeakPolarHBondContact O-CA 3.23Å; K229-S233 PolarHBondContact O-N 3.41Å
234S91.9Very high93.4Very high87 Ų8752.4 Ų52.461%0.60826%0.262SS*.SBendtrans-79.5-34.2-174.277.50000113.5D232 V236D232-S234 PolarHBondContact O-N 3.37Å; D232-S234 VanDerWaalsContact OD1-CB 3.27Å; D232-S234 WeakPolarHBondContact OD1-CB 3.34Å; D232-S234 PolarHBondContact OD1-N 3.28Å; D232-S234 PolarHBondContact OD1-OG 3.34Å; D232-S234 PolarHBondContact OD2-OG 3.32Å; S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 PolarHBondContact O-N 2.86Å
235L91.7Very high93.3Very high51 Ų5155.7 Ų55.727%0.26728%0.282SS..SBendtrans-69.5-22.3-168.3-57.1175.7000114.5I228 D232 I256 L261I228-L235 HydrophobicContact CG2-CB 4.33Å; I228-L235 HydrophobicContact CG2-CD1 4.21Å; D232-L235 HydrophobicContact CB-CD1 3.82Å; D232-L235 HydrophobicContact CB-CG 3.94Å; D232-L235 WeakPolarHBondContact OD2-CG 3.3Å; L235-I256 HydrophobicContact CB-CG2 3.84Å; L235-I256 HydrophobicContact CD1-CG2 3.77Å; L235-I256 HydrophobicContact CG-CG2 4.31Å; L235-L261 HydrophobicContact CD1-CD2 3.94Å; L235-L261 HydrophobicContact CD1-CG 4.31Å
236V93.3Very high93.2Very high9 Ų958.7 Ų58.76%0.05530%0.302CS..  trans-134.4126.4-167174.80000112.2L225 I228 K229 S234 M238 I256L225-V236 HydrophobicContact CB-CG1 3.98Å; L225-V236 HydrophobicContact CD2-CG1 4.23Å; L225-V236 HydrophobicContact CD2-CG2 4.08Å; I228-V236 HydrophobicContact CB-CG2 4.2Å; I228-V236 HydrophobicContact CG2-CG2 3.61Å; K229-V236 HydrophobicContact CB-CB 4.05Å; K229-V236 HydrophobicContact CB-CG1 4.33Å; K229-V236 HydrophobicContact CD-CB 4.42Å; K229-V236 HydrophobicContact CD-CG1 4.44Å; K229-V236 WeakPolarHBondContact CD-O 3.15Å; K229-V236 WeakPolarHBondContact CE-O 3.4Å; K229-V236 HydrophobicContact CG-CB 4.31Å; K229-V236 PolarHBondContact NZ-O 3.33Å; S234-V236 VanDerWaalsContact C-N 3.31Å; S234-V236 PolarHBondContact O-N 2.86Å; V236-M238 HydrophobicContact CG1-SD 3.67Å; V236-I256 HydrophobicContact CG2-CD1 4.15Å
237D93.1Very high93.1Very high47 Ų4764.6 Ų64.625%0.25132%0.324SS..  trans-100.9101165.7-172-8.9000110.6R239 K240 A241D237-R239 PolarHBondContact O-N 2.94Å; D237-R239 VanDerWaalsContact O-N 3.08Å; D237-R239 WeakPolarHBondContact OD1-CB 3.39Å; D237-R239 IonicContact OD1-CZ 3.71Å; D237-R239 PolarHBondContact OD1-N 3.01Å; D237-R239 IonicContact OD1-NE 2.93Å; D237-R239 PolarHBondContact OD1-NE 3.33Å; D237-R239 VanDerWaalsContact OD1-NE 3.11Å; D237-R239 IonicContact OD1-NH2 3.37Å; D237-R239 IonicContact OD2-CZ 3.3Å; D237-R239 IonicContact OD2-NE 3.07Å; D237-R239 IonicContact OD2-NH2 3.23Å; D237-R239 PolarHBondContact OD2-NH2 3.04Å; D237-K240 HydrophobicContact CB-CB 4.42Å; D237-K240 HydrophobicContact CB-CD 4.06Å; D237-K240 HydrophobicContact CB-CG 4.09Å; D237-K240 PolarHBondContact O-N 2.79Å; D237-A241 PolarHBondContact O-N 2.88Å; D237-A241 VanDerWaalsContact O-N 3.14Å
238M93.3Very high93.1Very high20 Ų2069.2 Ų69.210%0.09935%0.346CS..Hα-helixtrans-56.1-27.4179.7-60.3-56.6-64.800113.2Y207 V209 L225 A226 K229 V236 K240 A241 L242Y207-M238 HydrophobicContact CG-CG 4.48Å; V209-M238 HydrophobicContact CG2-CE 3.79Å; L225-M238 HydrophobicContact CB-SD 4.28Å; A226-M238 HydrophobicContact CB-CE 3.98Å; K229-M238 HydrophobicContact CD-CG 3.58Å; K229-M238 HydrophobicContact CD-SD 4.08Å; V236-M238 HydrophobicContact CG1-SD 3.67Å; M238-K240 VanDerWaalsContact C-N 3.32Å; M238-K240 PolarHBondContact O-N 3.01Å; M238-A241 PolarHBondContact O-N 3.18Å; M238-L242 WeakPolarHBondContact O-CG 3.43Å; M238-L242 PolarHBondContact O-N 2.84Å
239R92.5Very high93.2Very high181 Ų18169.4 Ų69.468%0.68335%0.347SS*.Hα-helixtrans-71.4-29.7179.2-58.8170.5-60.6168.28.7112D237D237-R239 PolarHBondContact O-N 2.94Å; D237-R239 VanDerWaalsContact O-N 3.08Å; D237-R239 WeakPolarHBondContact OD1-CB 3.39Å; D237-R239 IonicContact OD1-CZ 3.71Å; D237-R239 PolarHBondContact OD1-N 3.01Å; D237-R239 IonicContact OD1-NE 2.93Å; D237-R239 PolarHBondContact OD1-NE 3.33Å; D237-R239 VanDerWaalsContact OD1-NE 3.11Å; D237-R239 IonicContact OD1-NH2 3.37Å; D237-R239 IonicContact OD2-CZ 3.3Å; D237-R239 IonicContact OD2-NE 3.07Å; D237-R239 IonicContact OD2-NH2 3.23Å; D237-R239 PolarHBondContact OD2-NH2 3.04Å
240K93.4Very high93.2Very high126 Ų12667.5 Ų67.555%0.54834%0.338SS..Hα-helixtrans-76.6-39.3171.5-61.2-179.7-171.4175.40110.5D237 M238 L242 L243 R244D237-K240 HydrophobicContact CB-CB 4.42Å; D237-K240 HydrophobicContact CB-CD 4.06Å; D237-K240 HydrophobicContact CB-CG 4.09Å; D237-K240 PolarHBondContact O-N 2.79Å; M238-K240 VanDerWaalsContact C-N 3.32Å; M238-K240 PolarHBondContact O-N 3.01Å; K240-L242 VanDerWaalsContact C-N 3.31Å; K240-L242 PolarHBondContact O-N 3.35Å; K240-L243 PolarHBondContact O-N 3.35Å; K240-R244 PolarHBondContact O-N 2.7Å
241A93.4Very high93.4Very high1 Ų170 Ų701%0.00835%0.35CS..Hα-helixtrans-58.8-40.6176.600000112.8L222 L225 D237 M238 L243 R244 N249L222-A241 HydrophobicContact CD2-CB 3.68Å; L225-A241 HydrophobicContact CD1-CB 3.57Å; D237-A241 PolarHBondContact O-N 2.88Å; D237-A241 VanDerWaalsContact O-N 3.14Å; M238-A241 PolarHBondContact O-N 3.18Å; A241-L243 PolarHBondContact O-N 2.96Å; A241-L243 VanDerWaalsContact O-N 3.14Å; A241-R244 PolarHBondContact O-N 3.21Å; A241-N249 WeakPolarHBondContact CA-OD1 3.24Å; A241-N249 PolarHBondContact O-ND2 3.42Å; A241-N249 PolarHBondContact O-OD1 3.07Å
242L92.8Very high93.7Very high120 Ų12070 Ų7063%0.62835%0.35SS*.THydrogen-bonded Turntrans-64.4-11.7175.7-72.7168.6000114.9L222 M238 K240L222-L242 HydrophobicContact CD1-CD2 3.84Å; L222-L242 HydrophobicContact CD2-CD2 4.45Å; M238-L242 WeakPolarHBondContact O-CG 3.43Å; M238-L242 PolarHBondContact O-N 2.84Å; K240-L242 VanDerWaalsContact C-N 3.31Å; K240-L242 PolarHBondContact O-N 3.35Å
243L93.8Very high94Very high155 Ų15567.1 Ų67.181%0.81234%0.335SS*.THydrogen-bonded Turntrans-109-2.4-179.4-62.2174.9000113.5K240 A241K240-L243 PolarHBondContact O-N 3.35Å; A241-L243 PolarHBondContact O-N 2.96Å; A241-L243 VanDerWaalsContact O-N 3.14Å
244R94.9Very high94.3Very high98 Ų9863.7 Ų63.737%0.3731%0.31SS..SBendtrans-99.3162.9-179.6-74.8167.6174.3170.5-14.3111.7K240 A241 E248 N249 D252K240-R244 PolarHBondContact O-N 2.7Å; A241-R244 PolarHBondContact O-N 3.21Å; R244-E248 HydrophobicContact CB-CB 4.28Å; R244-N249 WeakPolarHBondContact CB-OD1 3.48Å; R244-N249 WeakPolarHBondContact CD-OD1 3.38Å; R244-D252 IonicContact CZ-OD2 3.14Å; R244-D252 IonicContact NH1-OD2 3.78Å; R244-D252 PolarHBondContact NH1-OD2 3.25Å; R244-D252 IonicContact NH2-OD2 2.71Å; R244-D252 PolarHBondContact NH2-OD2 2.88Å
245T94.6Very high94.5Very high71 Ų7164.3 Ų64.344%0.43630%0.3SS..  trans-68155.217067.50000111.4R247 E248 N249T245-R247 VanDerWaalsContact C-N 3.26Å; T245-R247 PolarHBondContact O-N 3.41Å; T245-E248 VanDerWaalsContact CB-OE2 3.28Å; T245-E248 WeakPolarHBondContact CB-OE2 3.44Å; T245-E248 WeakPolarHBondContact CG2-OE2 3.44Å; T245-E248 PolarHBondContact N-OE2 3.28Å; T245-E248 PolarHBondContact O-N 3.47Å; T245-E248 VanDerWaalsContact OG1-CD 3.29Å; T245-E248 VanDerWaalsContact OG1-CG 3.25Å; T245-E248 WeakPolarHBondContact OG1-CG 3.3Å; T245-E248 PolarHBondContact OG1-N 3.23Å; T245-E248 PolarHBondContact OG1-OE2 2.93Å; T245-N249 PolarHBondContact O-N 3.31Å; T245-N249 VanDerWaalsContact O-N 3.07Å
246P93.6Very high94.7Very high64 Ų6462.8 Ų62.842%0.41629%0.292SS..Hα-helixtrans-56-39.2176-27.335.9000113.7T219 N249 L250T219-P246 WeakPolarHBondContact O-CB 3.22Å; P246-N249 PolarHBondContact O-N 2.99Å; P246-L250 WeakPolarHBondContact O-CD1 3.22Å; P246-L250 WeakPolarHBondContact O-CG 3.42Å; P246-L250 PolarHBondContact O-N 3.13Å
247R94.4Very high94.9Very high125 Ų12562.4 Ų62.447%0.47229%0.289SS..Hα-helixtrans-63.9-44.1179.2-176.4176.7170.277.74.7112.4T245 L250 E251 P269 E270 T273T245-R247 VanDerWaalsContact C-N 3.26Å; T245-R247 PolarHBondContact O-N 3.41Å; R247-L250 PolarHBondContact O-N 3.41Å; R247-E251 PolarHBondContact O-N 2.97Å; R247-P269 HydrophobicContact CG-CB 4.15Å; R247-E270 IonicContact CZ-OE1 2.73Å; R247-E270 VanDerWaalsContact NH1-CD 3.26Å; R247-E270 IonicContact NH1-OE1 3.91Å; R247-E270 PolarHBondContact NH1-OE1 3.38Å; R247-E270 IonicContact NH1-OE2 3.91Å; R247-E270 IonicContact NH2-OE1 3.76Å; R247-E270 PolarHBondContact NH2-OE1 2.81Å; R247-T273 HydrophobicContact CB-CG2 4.3Å
248E95.8Very high95Very high98 Ų9863.6 Ų63.646%0.45829%0.293SS..Hα-helixtrans-64.7-39.8174.1-69.8164.5119.400111.9R244 T245 E251 D252R244-E248 HydrophobicContact CB-CB 4.28Å; T245-E248 VanDerWaalsContact CB-OE2 3.28Å; T245-E248 WeakPolarHBondContact CB-OE2 3.44Å; T245-E248 WeakPolarHBondContact CG2-OE2 3.44Å; T245-E248 PolarHBondContact N-OE2 3.28Å; T245-E248 PolarHBondContact O-N 3.47Å; T245-E248 VanDerWaalsContact OG1-CD 3.29Å; T245-E248 VanDerWaalsContact OG1-CG 3.25Å; T245-E248 WeakPolarHBondContact OG1-CG 3.3Å; T245-E248 PolarHBondContact OG1-N 3.23Å; T245-E248 PolarHBondContact OG1-OE2 2.93Å; E248-E251 PolarHBondContact O-N 2.91Å; E248-D252 WeakPolarHBondContact O-CB 3.26Å; E248-D252 PolarHBondContact O-N 3.15Å
249N95.9Very high95.1Very high4 Ų471 Ų712%0.02132%0.321CS..Hα-helixtrans-65.7-37.1177.4-77.4-28000112.5S220 L225 A241 R244 T245 P246 A253S220-N249 PolarHBondContact O-ND2 2.81Å; L225-N249 HydrophobicContact CD1-CB 3.75Å; A241-N249 WeakPolarHBondContact CA-OD1 3.24Å; A241-N249 PolarHBondContact O-ND2 3.42Å; A241-N249 PolarHBondContact O-OD1 3.07Å; R244-N249 WeakPolarHBondContact CB-OD1 3.48Å; R244-N249 WeakPolarHBondContact CD-OD1 3.38Å; T245-N249 PolarHBondContact O-N 3.31Å; T245-N249 VanDerWaalsContact O-N 3.07Å; P246-N249 PolarHBondContact O-N 2.99Å; N249-A253 VanDerWaalsContact O-CB 3.23Å; N249-A253 WeakPolarHBondContact O-CB 3.35Å; N249-A253 PolarHBondContact O-N 2.75Å
250L95.8Very high95.2Very high0 Ų065.7 Ų65.70%031%0.312CS..Hα-helixtrans-68-45.8174.8-74.5160.1000111.6F224 P246 R247 A253 F254 P269 V272 T273F224-L250 HydrophobicContact CD2-CD2 3.56Å; F224-L250 HydrophobicContact CE2-CD2 3.54Å; P246-L250 WeakPolarHBondContact O-CD1 3.22Å; P246-L250 WeakPolarHBondContact O-CG 3.42Å; P246-L250 PolarHBondContact O-N 3.13Å; R247-L250 PolarHBondContact O-N 3.41Å; L250-A253 PolarHBondContact O-N 3.37Å; L250-F254 HydrophobicContact CB-CE2 4.29Å; L250-F254 HydrophobicContact CB-CZ 4.44Å; L250-F254 HydrophobicContact CD2-CE1 4.11Å; L250-F254 HydrophobicContact CD2-CE2 4.24Å; L250-F254 HydrophobicContact CD2-CZ 3.63Å; L250-F254 WeakPolarHBondContact O-CB 3.31Å; L250-F254 WeakPolarHBondContact O-CD2 3.46Å; L250-F254 WeakPolarHBondContact O-CG 3.48Å; L250-F254 PolarHBondContact O-N 3.45Å; L250-P269 HydrophobicContact CB-CB 4.09Å; L250-P269 HydrophobicContact CB-CG 4.44Å; L250-V272 HydrophobicContact CD1-CB 4.04Å; L250-V272 HydrophobicContact CD1-CG1 4.04Å; L250-V272 HydrophobicContact CD2-CB 4.16Å; L250-V272 HydrophobicContact CD2-CG1 3.86Å; L250-T273 HydrophobicContact CD1-CG2 3.43Å; L250-T273 VanDerWaalsContact CD1-CG2 3.43Å
251E96.3Very high95.2Very high57 Ų5760.6 Ų60.627%0.26629%0.29SS..Hα-helixtrans-64.6-41.5176.7-179.849.4-141.500112.1R247 E248 A253 R255 R265 P269R247-E251 PolarHBondContact O-N 2.97Å; E248-E251 PolarHBondContact O-N 2.91Å; E251-A253 VanDerWaalsContact C-N 3.35Å; E251-R255 WeakPolarHBondContact O-CB 3.34Å; E251-R255 PolarHBondContact O-N 2.92Å; E251-R255 IonicContact OE1-NH1 3.67Å; E251-R265 IonicContact OE1-CZ 3.68Å; E251-R265 IonicContact OE1-NH1 2.68Å; E251-R265 PolarHBondContact OE1-NH1 2.93Å; E251-R265 IonicContact OE1-NH2 2.8Å; E251-R265 IonicContact OE2-CZ 3.86Å; E251-R265 IonicContact OE2-NH1 3.58Å; E251-R265 PolarHBondContact OE2-NH1 2.85Å; E251-R265 IonicContact OE2-NH2 3.11Å; E251-R265 PolarHBondContact OE2-NH2 3.15Å; E251-P269 HydrophobicContact CB-CG 3.85Å; E251-P269 WeakPolarHBondContact OE2-CG 3.37Å
252D96.2Very high95.2Very high23 Ų2362.8 Ų62.812%0.12331%0.313CS..Hα-helixtrans-62.9-42.2174.2-15429.8000110.9R244 E248 R255 I256R244-D252 IonicContact CZ-OD2 3.14Å; R244-D252 IonicContact NH1-OD2 3.78Å; R244-D252 PolarHBondContact NH1-OD2 3.25Å; R244-D252 IonicContact NH2-OD2 2.71Å; R244-D252 PolarHBondContact NH2-OD2 2.88Å; E248-D252 WeakPolarHBondContact O-CB 3.26Å; E248-D252 PolarHBondContact O-N 3.15Å; D252-R255 IonicContact OD1-CZ 2.63Å; D252-R255 IonicContact OD1-NE 3.76Å; D252-R255 IonicContact OD1-NH2 2.95Å; D252-R255 PolarHBondContact OD1-NH2 2.7Å; D252-I256 WeakPolarHBondContact O-CB 3.49Å; D252-I256 WeakPolarHBondContact O-CD1 3.39Å; D252-I256 WeakPolarHBondContact O-CG1 3.41Å; D252-I256 PolarHBondContact O-N 2.67Å
253A96.8Very high95.3Very high0 Ų057.1 Ų57.10%028%0.283CS..Hα-helixtrans-63.3-48.8176.600000113F224 L225 I228 N249 L250 E251 I256 A257F224-A253 HydrophobicContact CB-CB 3.64Å; L225-A253 HydrophobicContact CD2-CB 3.72Å; L225-A253 HydrophobicContact CG-CB 3.99Å; I228-A253 HydrophobicContact CD1-CB 3.85Å; I228-A253 VanDerWaalsContact CD1-O 3.24Å; I228-A253 WeakPolarHBondContact CD1-O 3.49Å; N249-A253 VanDerWaalsContact O-CB 3.23Å; N249-A253 WeakPolarHBondContact O-CB 3.35Å; N249-A253 PolarHBondContact O-N 2.75Å; L250-A253 PolarHBondContact O-N 3.37Å; E251-A253 VanDerWaalsContact C-N 3.35Å; A253-I256 PolarHBondContact O-N 3.31Å; A253-A257 VanDerWaalsContact O-CB 3.24Å; A253-A257 WeakPolarHBondContact O-CB 3.23Å; A253-A257 PolarHBondContact O-N 3.46Å
254F96.9Very high95.3Very high0 Ų051.1 Ų51.10%025%0.254CS..Hα-helixtrans-70.7-33.9-177.3-58.8-16000111.5F224 L250 H258 L267 P269 V272 Y285F224-F254 HydrophobicContact CD1-CE1 4.22Å; F224-F254 AromaticContact CD2-CE1 3.85Å; F224-F254 HydrophobicContact CD2-CE1 3.85Å; F224-F254 HydrophobicContact CD2-CZ 4.36Å; F224-F254 HydrophobicContact CE1-CE1 4.23Å; F224-F254 AromaticContact CE2-CE1 3.84Å; F224-F254 HydrophobicContact CE2-CE1 3.84Å; F224-F254 HydrophobicContact CE2-CZ 4.01Å; F224-F254 HydrophobicContact CG-CE1 4.03Å; F224-F254 HydrophobicContact CZ-CE1 4.03Å; F224-F254 HydrophobicContact CZ-CZ 4.29Å; L250-F254 HydrophobicContact CB-CE2 4.29Å; L250-F254 HydrophobicContact CB-CZ 4.44Å; L250-F254 HydrophobicContact CD2-CE1 4.11Å; L250-F254 HydrophobicContact CD2-CE2 4.24Å; L250-F254 HydrophobicContact CD2-CZ 3.63Å; L250-F254 WeakPolarHBondContact O-CB 3.31Å; L250-F254 WeakPolarHBondContact O-CD2 3.46Å; L250-F254 WeakPolarHBondContact O-CG 3.48Å; L250-F254 PolarHBondContact O-N 3.45Å; F254-H258 VanDerWaalsContact O-CB 3.32Å; F254-H258 WeakPolarHBondContact O-CB 3.3Å; F254-H258 PolarHBondContact O-N 3.48Å; F254-H258 VanDerWaalsContact O-N 3.11Å; F254-L267 VanDerWaalsContact CD2-O 3.24Å; F254-L267 WeakPolarHBondContact CD2-O 3.44Å; F254-L267 HydrophobicContact CE2-CB 3.84Å; F254-L267 HydrophobicContact CZ-CB 3.9Å; F254-L267 HydrophobicContact CZ-CD1 4.38Å; F254-P269 HydrophobicContact CD2-CG 4.46Å; F254-V272 HydrophobicContact CE2-CG2 4.49Å; F254-V272 HydrophobicContact CZ-CG2 4.13Å; F254-Y285 AromaticContact CD1-CE1 3.54Å; F254-Y285 HydrophobicContact CD1-CE1 3.54Å; F254-Y285 AromaticContact CD1-CZ 3.83Å; F254-Y285 HydrophobicContact CE1-CD1 4.1Å; F254-Y285 AromaticContact CE1-CE1 3.43Å; F254-Y285 HydrophobicContact CE1-CE1 3.43Å; F254-Y285 VanDerWaalsContact CE1-CE1 3.43Å; F254-Y285 HydrophobicContact CZ-CE1 4.39Å
255R96.4Very high95.2Very high101 Ų10149.8 Ų49.838%0.38125%0.249SC..Hα-helixtrans-64-49.1170.2179.417554.5-122.33.9112.2E251 D252 H258 Y259E251-R255 WeakPolarHBondContact O-CB 3.34Å; E251-R255 PolarHBondContact O-N 2.92Å; E251-R255 IonicContact OE1-NH1 3.67Å; D252-R255 IonicContact OD1-CZ 2.63Å; D252-R255 IonicContact OD1-NE 3.76Å; D252-R255 IonicContact OD1-NH2 2.95Å; D252-R255 PolarHBondContact OD1-NH2 2.7Å; R255-H258 PolarHBondContact O-N 3.3Å; R255-Y259 HydrophobicContact CG-CD2 3.75Å; R255-Y259 HydrophobicContact CG-CE2 4.08Å; R255-Y259 VanDerWaalsContact O-CD2 3.3Å; R255-Y259 WeakPolarHBondContact O-CD2 3.42Å; R255-Y259 PolarHBondContact O-N 2.98Å
256I96.1Very high95.2Very high19 Ų1946.6 Ų46.610%0.09723%0.229CC..Hα-helixtrans-66.5-42.5-179.4-67.9164.8000110.8I228 L235 V236 D252 A253 H258 S260 L261I228-I256 HydrophobicContact CG2-CG2 3.64Å; L235-I256 HydrophobicContact CB-CG2 3.84Å; L235-I256 HydrophobicContact CD1-CG2 3.77Å; L235-I256 HydrophobicContact CG-CG2 4.31Å; V236-I256 HydrophobicContact CG2-CD1 4.15Å; D252-I256 WeakPolarHBondContact O-CB 3.49Å; D252-I256 WeakPolarHBondContact O-CD1 3.39Å; D252-I256 WeakPolarHBondContact O-CG1 3.41Å; D252-I256 PolarHBondContact O-N 2.67Å; A253-I256 PolarHBondContact O-N 3.31Å; I256-H258 VanDerWaalsContact C-N 3.29Å; I256-H258 PolarHBondContact O-N 3.06Å; I256-S260 WeakPolarHBondContact O-CA 3.43Å; I256-S260 VanDerWaalsContact O-CB 3.24Å; I256-S260 WeakPolarHBondContact O-CB 3.46Å; I256-S260 PolarHBondContact O-N 3.27Å; I256-L261 PolarHBondContact O-N 3.39Å
257A96.2Very high95.3Very high0 Ų043.6 Ų43.60%021%0.21CC..Hα-helixtrans-57.5-43.5175.500000111.7I228 A253 L261 G262 I263 Y285 F289I228-A257 HydrophobicContact CD1-CB 4.31Å; A253-A257 VanDerWaalsContact O-CB 3.24Å; A253-A257 WeakPolarHBondContact O-CB 3.23Å; A253-A257 PolarHBondContact O-N 3.46Å; A257-L261 CarbonylContact O-C 3.41Å; A257-L261 WeakPolarHBondContact O-CA 3.4Å; A257-L261 WeakPolarHBondContact O-CB 3.4Å; A257-L261 PolarHBondContact O-N 3.34Å; A257-G262 PolarHBondContact O-N 2.91Å; A257-I263 HydrophobicContact CB-CB 4.24Å; A257-I263 PolarHBondContact O-N 3.28Å; A257-Y285 WeakPolarHBondContact CB-OH 3.49Å; A257-F289 HydrophobicContact CB-CE1 4.01Å; A257-F289 HydrophobicContact CB-CZ 3.69Å
258H95.9Very high95.2Very high73 Ų7341.2 Ų41.234%0.33820%0.204SC..Hα-helixtrans-66.3-61.7177.1-170.5-104.1000113.1F254 R255 I256 G262 I263 R265F254-H258 VanDerWaalsContact O-CB 3.32Å; F254-H258 WeakPolarHBondContact O-CB 3.3Å; F254-H258 PolarHBondContact O-N 3.48Å; F254-H258 VanDerWaalsContact O-N 3.11Å; R255-H258 PolarHBondContact O-N 3.3Å; I256-H258 VanDerWaalsContact C-N 3.29Å; I256-H258 PolarHBondContact O-N 3.06Å; H258-G262 WeakPolarHBondContact O-CA 3.44Å; H258-G262 PolarHBondContact O-N 2.93Å; H258-I263 VanDerWaalsContact CA-O 3.29Å; H258-I263 WeakPolarHBondContact CA-O 3.42Å; H258-R265 HydrophobicContact CB-CG 3.81Å
259Y96Very high95Very high176 Ų17636.9 Ų36.969%0.6918%0.184SC*.Hα-helixtrans-83.5-17.7-168.7-65.7-71.4000114.6R255R255-Y259 HydrophobicContact CG-CD2 3.75Å; R255-Y259 HydrophobicContact CG-CE2 4.08Å; R255-Y259 VanDerWaalsContact O-CD2 3.3Å; R255-Y259 WeakPolarHBondContact O-CD2 3.42Å; R255-Y259 PolarHBondContact O-N 2.98Å
260S94.1Very high94.8Very high69 Ų6939.6 Ų39.648%0.48320%0.197SC..Hα-helixtrans-115.1-25.5-178.2-50.80000113.9I256I256-S260 WeakPolarHBondContact O-CA 3.43Å; I256-S260 VanDerWaalsContact O-CB 3.24Å; I256-S260 WeakPolarHBondContact O-CB 3.46Å; I256-S260 PolarHBondContact O-N 3.27Å
261L93.2Very high94.5Very high18 Ų1840.1 Ų40.19%0.09420%0.199CC..Hα-helixtrans-112.2-6.1177.7-57-177.4000113.9I228 I231 L235 I256 A257 I263 F289 F293I228-L261 HydrophobicContact CB-CD1 4.45Å; I228-L261 HydrophobicContact CG1-CD1 4.11Å; I228-L261 HydrophobicContact CG2-CD1 4.2Å; I231-L261 HydrophobicContact CD1-CD1 4.12Å; I231-L261 HydrophobicContact CG2-CD1 4.37Å; I231-L261 HydrophobicContact CG2-CD2 3.86Å; L235-L261 HydrophobicContact CD1-CD2 3.94Å; L235-L261 HydrophobicContact CD1-CG 4.31Å; I256-L261 PolarHBondContact O-N 3.39Å; A257-L261 CarbonylContact O-C 3.41Å; A257-L261 WeakPolarHBondContact O-CA 3.4Å; A257-L261 WeakPolarHBondContact O-CB 3.4Å; A257-L261 PolarHBondContact O-N 3.34Å; L261-I263 VanDerWaalsContact C-N 3.28Å; L261-I263 HydrophobicContact CB-CD1 4.09Å; L261-I263 HydrophobicContact CB-CG1 4.18Å; L261-I263 HydrophobicContact CD1-CD1 4.35Å; L261-I263 PolarHBondContact O-N 3.46Å; L261-F289 HydrophobicContact CD1-CE1 4.27Å; L261-F293 HydrophobicContact CB-CE2 3.85Å; L261-F293 HydrophobicContact CB-CZ 3.94Å; L261-F293 HydrophobicContact CD1-CE2 4.4Å; L261-F293 HydrophobicContact CD2-CE2 4.34Å; L261-F293 HydrophobicContact CD2-CZ 3.95Å; L261-F293 HydrophobicContact CG-CE2 4.43Å; L261-F293 HydrophobicContact CG-CZ 4.43Å
262G92.7Very high94.1Very high48 Ų4837.5 Ų37.550%0.49519%0.187SC..  trans70.219.4-179.600000114.6A257 H258 P264A257-G262 PolarHBondContact O-N 2.91Å; H258-G262 WeakPolarHBondContact O-CA 3.44Å; H258-G262 PolarHBondContact O-N 2.93Å; G262-P264 WeakPolarHBondContact O-CD 3.34Å
263I94.8Very high93.4Very high0 Ų038.9 Ų38.90%020%0.197CC..  trans-90.1118.7-177.3-64.1173.6000109.8A257 H258 L261 Y285 Q288 F289 F293A257-I263 HydrophobicContact CB-CB 4.24Å; A257-I263 PolarHBondContact O-N 3.28Å; H258-I263 VanDerWaalsContact CA-O 3.29Å; H258-I263 WeakPolarHBondContact CA-O 3.42Å; L261-I263 VanDerWaalsContact C-N 3.28Å; L261-I263 HydrophobicContact CB-CD1 4.09Å; L261-I263 HydrophobicContact CB-CG1 4.18Å; L261-I263 HydrophobicContact CD1-CD1 4.35Å; L261-I263 PolarHBondContact O-N 3.46Å; I263-Y285 HydrophobicContact CG2-CE2 3.95Å; I263-Q288 HydrophobicContact CG2-CB 3.93Å; I263-F289 HydrophobicContact CD1-CB 4.3Å; I263-F289 HydrophobicContact CD1-CD1 3.36Å; I263-F289 HydrophobicContact CD1-CD2 3.96Å; I263-F289 HydrophobicContact CD1-CE1 3.51Å; I263-F289 HydrophobicContact CD1-CE2 4.09Å; I263-F289 HydrophobicContact CD1-CG 3.61Å; I263-F289 HydrophobicContact CD1-CZ 3.89Å; I263-F289 HydrophobicContact CG2-CD2 4.49Å; I263-F289 HydrophobicContact CG2-CE2 4.08Å; I263-F289 HydrophobicContact CG2-CZ 4.34Å; I263-F293 HydrophobicContact CD1-CD2 4.36Å; I263-F293 HydrophobicContact CD1-CE2 4.02Å; I263-F293 HydrophobicContact CG1-CE2 4.39Å
264P93.8Very high92Very high30 Ų3044 Ų4420%0.19522%0.223CC..  trans-59.7138.5-177.8-28.238.1000114.3L45 G262 L266 Y285L45-P264 HydrophobicContact CD1-CB 4.13Å; L45-P264 HydrophobicContact CD1-CG 3.53Å; L45-P264 HydrophobicContact CD2-CB 3.99Å; L45-P264 HydrophobicContact CD2-CG 3.69Å; L45-P264 HydrophobicContact CG-CG 4.24Å; G262-P264 WeakPolarHBondContact O-CD 3.34Å; P264-L266 HydrophobicContact CB-CD2 4.43Å; P264-L266 PolarHBondContact O-N 2.82Å; P264-Y285 WeakPolarHBondContact O-CE2 3.44Å
265R94.5Very high90.4Very high70 Ų7047.1 Ų47.126%0.26424%0.24SC..  trans-75.984.4-179.2-68.1-173.560.7148.92.1111.9E251 H258E251-R265 IonicContact OE1-CZ 3.68Å; E251-R265 IonicContact OE1-NH1 2.68Å; E251-R265 PolarHBondContact OE1-NH1 2.93Å; E251-R265 IonicContact OE1-NH2 2.8Å; E251-R265 IonicContact OE2-CZ 3.86Å; E251-R265 IonicContact OE2-NH1 3.58Å; E251-R265 PolarHBondContact OE2-NH1 2.85Å; E251-R265 IonicContact OE2-NH2 3.11Å; E251-R265 PolarHBondContact OE2-NH2 3.15Å; H258-R265 HydrophobicContact CB-CG 3.81Å
266L94.7Very high89.3Confident4 Ų444.1 Ų44.12%0.02124%0.237CC..  trans-77.1-23.1173.6-55.5-164.3000113.7T38 R41 W42 P264 I284 Y285T38-L266 HydrophobicContact CG2-CB 4.17Å; R41-L266 HydrophobicContact CB-CD2 3.76Å; R41-L266 WeakPolarHBondContact CD-O 3.33Å; R41-L266 PolarHBondContact NH1-O 3.29Å; W42-L266 HydrophobicContact CB-CD1 3.91Å; W42-L266 HydrophobicContact CG-CD1 4.34Å; P264-L266 HydrophobicContact CB-CD2 4.43Å; P264-L266 PolarHBondContact O-N 2.82Å; L266-I284 HydrophobicContact CD1-CG2 3.9Å; L266-Y285 HydrophobicContact CB-CD2 4.1Å; L266-Y285 HydrophobicContact CG-CD2 4.38Å
267L94.4Very high88.7Confident1 Ų143.5 Ų43.51%0.00523%0.234CC..  trans-117.4145.3-178.3-57-179.3000111.6T38 F224 F254 V272 I282 Y285T38-L267 HydrophobicContact CG2-CD2 3.8Å; T38-L267 WeakPolarHBondContact OG1-CD2 3.09Å; F224-L267 HydrophobicContact CZ-CD1 4.46Å; F254-L267 VanDerWaalsContact CD2-O 3.24Å; F254-L267 WeakPolarHBondContact CD2-O 3.44Å; F254-L267 HydrophobicContact CE2-CB 3.84Å; F254-L267 HydrophobicContact CZ-CB 3.9Å; F254-L267 HydrophobicContact CZ-CD1 4.38Å; L267-V272 HydrophobicContact CB-CG2 4.42Å; L267-V272 HydrophobicContact CD1-CG2 4Å; L267-I282 HydrophobicContact CD1-CD1 3.94Å; L267-Y285 HydrophobicContact CD1-CD1 3.73Å; L267-Y285 HydrophobicContact CD1-CG 3.84Å; L267-Y285 HydrophobicContact CG-CD1 4.23Å; L267-Y285 HydrophobicContact CG-CG 3.98Å
268E92.4Very high88.4Confident75 Ų7544.2 Ų44.235%0.3524%0.238SC..  trans-103.5156.6167-73.5158.9174.600110.8R41 E270 D271R41-E268 IonicContact CZ-OE1 2.86Å; R41-E268 IonicContact CZ-OE2 2.71Å; R41-E268 IonicContact NH2-OE1 3.8Å; R41-E268 PolarHBondContact NH2-OE1 3.44Å; R41-E268 IonicContact NH2-OE2 2.74Å; R41-E268 PolarHBondContact NH2-OE2 3.02Å; E268-E270 PolarHBondContact O-N 2.93Å; E268-D271 PolarHBondContact N-OD2 3.3Å; E268-D271 WeakPolarHBondContact O-CB 3.37Å; E268-D271 PolarHBondContact O-N 3.02Å
269P92.8Very high88.2Confident6 Ų645.5 Ų45.54%0.03924%0.244CC..Hα-helixtrans-55.7-32.6177.8-25.935.2000113.3R247 L250 E251 F254 V272 T273R247-P269 HydrophobicContact CG-CB 4.15Å; L250-P269 HydrophobicContact CB-CB 4.09Å; L250-P269 HydrophobicContact CB-CG 4.44Å; E251-P269 HydrophobicContact CB-CG 3.85Å; E251-P269 WeakPolarHBondContact OE2-CG 3.37Å; F254-P269 HydrophobicContact CD2-CG 4.46Å; P269-V272 PolarHBondContact O-N 3.14Å; P269-T273 WeakPolarHBondContact O-CB 3.17Å; P269-T273 WeakPolarHBondContact O-CG2 3.28Å; P269-T273 PolarHBondContact O-N 2.94Å; P269-T273 PolarHBondContact O-OG1 2.8Å
270E90.3Very high88.1Confident62 Ų6239.5 Ų39.529%0.2922%0.222SC..Hα-helixtrans-53.7-53.5171-73.467.8-156.800111.7R247 E268 V272 T273 I274R247-E270 IonicContact CZ-OE1 2.73Å; R247-E270 VanDerWaalsContact NH1-CD 3.26Å; R247-E270 IonicContact NH1-OE1 3.91Å; R247-E270 PolarHBondContact NH1-OE1 3.38Å; R247-E270 IonicContact NH1-OE2 3.91Å; R247-E270 IonicContact NH2-OE1 3.76Å; R247-E270 PolarHBondContact NH2-OE1 2.81Å; E268-E270 PolarHBondContact O-N 2.93Å; E270-V272 PolarHBondContact O-N 3.27Å; E270-T273 PolarHBondContact O-N 3.06Å; E270-I274 HydrophobicContact CB-CD1 4.15Å; E270-I274 WeakPolarHBondContact O-CD1 3.41Å; E270-I274 WeakPolarHBondContact O-CG1 3.42Å; E270-I274 PolarHBondContact O-N 3.43Å
271D89.1Confident88.1Confident10 Ų1036.3 Ų36.35%0.05320%0.199CC..Hα-helixtrans-58.6-18.4-175.3-61.7-33.3000112.6V34 R37 R41 E268V34-D271 HydrophobicContact CG1-CB 3.88Å; V34-D271 HydrophobicContact CG2-CB 4.16Å; R37-D271 IonicContact CZ-OD1 3.71Å; R37-D271 IonicContact NH1-OD1 3.75Å; R37-D271 PolarHBondContact NH1-OD1 2.87Å; R41-D271 IonicContact CZ-OD2 2.76Å; R41-D271 IonicContact NH1-OD2 2.81Å; R41-D271 PolarHBondContact NH1-OD2 3.1Å; E268-D271 PolarHBondContact N-OD2 3.3Å; E268-D271 WeakPolarHBondContact O-CB 3.37Å; E268-D271 PolarHBondContact O-N 3.02Å
272V89.3Confident88.2Confident2 Ų235.5 Ų35.51%0.01220%0.195CC..Hα-helixtrans-115.7-18-176-173.10000114F224 L250 F254 L267 P269 E270 P277 I282F224-V272 HydrophobicContact CE2-CG1 4.44Å; L250-V272 HydrophobicContact CD1-CB 4.04Å; L250-V272 HydrophobicContact CD1-CG1 4.04Å; L250-V272 HydrophobicContact CD2-CB 4.16Å; L250-V272 HydrophobicContact CD2-CG1 3.86Å; F254-V272 HydrophobicContact CE2-CG2 4.49Å; F254-V272 HydrophobicContact CZ-CG2 4.13Å; L267-V272 HydrophobicContact CB-CG2 4.42Å; L267-V272 HydrophobicContact CD1-CG2 4Å; P269-V272 PolarHBondContact O-N 3.14Å; E270-V272 PolarHBondContact O-N 3.27Å; V272-P277 HydrophobicContact CG1-CB 4.32Å; V272-P277 HydrophobicContact CG1-CG 4.46Å; V272-I282 HydrophobicContact CG1-CD1 3.99Å; V272-I282 HydrophobicContact CG2-CD1 3.84Å
273T81.9Confident88.3Confident52 Ų5233.5 Ų33.532%0.31917%0.173SC..Hα-helixtrans-97.5-26.2-175.546.50000115.4R247 L250 P269 E270R247-T273 HydrophobicContact CB-CG2 4.3Å; L250-T273 HydrophobicContact CD1-CG2 3.43Å; L250-T273 VanDerWaalsContact CD1-CG2 3.43Å; P269-T273 WeakPolarHBondContact O-CB 3.17Å; P269-T273 WeakPolarHBondContact O-CG2 3.28Å; P269-T273 PolarHBondContact O-N 2.94Å; P269-T273 PolarHBondContact O-OG1 2.8Å; E270-T273 PolarHBondContact O-N 3.06Å
274I65.6Low88.3Confident107 Ų10733.5 Ų33.555%0.54917%0.173SC..SBendtrans-73.1-37.3-165.3-69.3168.8000112.8E270E270-I274 HydrophobicContact CB-CD1 4.15Å; E270-I274 WeakPolarHBondContact O-CD1 3.41Å; E270-I274 WeakPolarHBondContact O-CG1 3.42Å; E270-I274 PolarHBondContact O-N 3.43Å
275N64.6Low88.4Confident67 Ų6732 Ų3236%0.35816%0.164SC..SBendtrans-148.3-173.5-179.7-97.5-55.7000111.3L27 E30 P277L27-N275 HydrophobicContact CD2-CB 3.98Å; L27-N275 VanDerWaalsContact CD2-ND2 3.34Å; L27-N275 WeakPolarHBondContact CD2-ND2 3.48Å; E30-N275 PolarHBondContact OE2-ND2 3.11Å; N275-P277 VanDerWaalsContact O-CD 3.25Å; N275-P277 WeakPolarHBondContact O-CD 3.29Å
276A73.8Confident88.4Confident38 Ų3828.8 Ų28.831%0.31415%0.152SC..SBendtrans-63107.8172.500000109.4R31 K216R31-A276 PolarHBondContact NH2-O 2.85Å; K216-A276 HydrophobicContact CG-CB 4.48Å
277P83.5Confident88.4Confident6 Ų628.6 Ų28.64%0.03915%0.151CC..  trans-69.6156.4-156.628.3-35.9000111.4G215 T219 V272 N275 E279 I282G215-P277 VanDerWaalsContact O-CG 3.26Å; G215-P277 WeakPolarHBondContact O-CG 3.2Å; T219-P277 HydrophobicContact CG2-CG 3.86Å; V272-P277 HydrophobicContact CG1-CB 4.32Å; V272-P277 HydrophobicContact CG1-CG 4.46Å; N275-P277 VanDerWaalsContact O-CD 3.25Å; N275-P277 WeakPolarHBondContact O-CD 3.29Å; P277-E279 PolarHBondContact O-N 3.24Å; P277-I282 HydrophobicContact CB-CD1 4.38Å; P277-I282 HydrophobicContact CB-CG1 4.29Å
278D89.8Confident88.3Confident15 Ų1528.7 Ų28.78%0.0815%0.151CC..  trans-67.5118.1-179.4172.755.6000111.4V34 Q35 Q280 S281 I282V34-D278 HydrophobicContact CG1-CB 4.47Å; Q35-D278 HydrophobicContact CG-CB 4.48Å; Q35-D278 WeakPolarHBondContact CG-OD2 3.41Å; Q35-D278 VanDerWaalsContact NE2-CG 3.33Å; Q35-D278 PolarHBondContact NE2-OD1 3.14Å; Q35-D278 PolarHBondContact NE2-OD2 2.87Å; D278-Q280 VanDerWaalsContact C-N 3.26Å; D278-Q280 PolarHBondContact O-N 3.36Å; D278-Q280 WeakPolarHBondContact OD2-CB 3.36Å; D278-Q280 PolarHBondContact OD2-N 3.1Å; D278-S281 PolarHBondContact O-N 2.86Å; D278-S281 WeakPolarHBondContact OD2-CB 3.41Å; D278-S281 PolarHBondContact OD2-N 3.11Å; D278-S281 PolarHBondContact OD2-OG 3.41Å; D278-I282 WeakPolarHBondContact O-CG1 3.45Å; D278-I282 PolarHBondContact O-N 3.11Å; D278-I282 VanDerWaalsContact O-N 3.1Å
279E91.8Very high88.3Confident99 Ų9925.1 Ų25.146%0.46314%0.135SC..Hα-helixtrans-64.1-32.6-175.9-61.7-166.9-17100112F214 P277 I283F214-E279 HydrophobicContact CB-CB 4.01Å; F214-E279 HydrophobicContact CB-CG 4.29Å; P277-E279 PolarHBondContact O-N 3.24Å; E279-I283 WeakPolarHBondContact O-CB 3.39Å; E279-I283 VanDerWaalsContact O-CD1 3.3Å; E279-I283 WeakPolarHBondContact O-CD1 3.31Å; E279-I283 WeakPolarHBondContact O-CG1 3.3Å; E279-I283 PolarHBondContact O-N 2.68Å
280Q92.6Very high88.2Confident50 Ų5025 Ų2523%0.23413%0.134CC..Hα-helixtrans-64.7-51.3178.3-63.1-174.5-3.100110.5F39 W133 D278 I282 I283 I284F39-Q280 HydrophobicContact CZ-CB 4.47Å; W133-Q280 HydrophobicContact CD2-CB 4.21Å; W133-Q280 VanDerWaalsContact CD2-CD 3.48Å; W133-Q280 HydrophobicContact CD2-CG 3.82Å; W133-Q280 HydrophobicContact CE3-CB 3.64Å; W133-Q280 HydrophobicContact CE3-CG 3.77Å; W133-Q280 HydrophobicContact CH2-CB 4.09Å; W133-Q280 HydrophobicContact CH2-CG 3.92Å; W133-Q280 HydrophobicContact CZ2-CG 3.97Å; W133-Q280 HydrophobicContact CZ3-CB 3.57Å; W133-Q280 HydrophobicContact CZ3-CG 3.82Å; D278-Q280 VanDerWaalsContact C-N 3.26Å; D278-Q280 PolarHBondContact O-N 3.36Å; D278-Q280 WeakPolarHBondContact OD2-CB 3.36Å; D278-Q280 PolarHBondContact OD2-N 3.1Å; Q280-I282 VanDerWaalsContact C-N 3.33Å; Q280-I282 PolarHBondContact O-N 2.81Å; Q280-I283 WeakPolarHBondContact O-CB 3.28Å; Q280-I283 PolarHBondContact O-N 3.23Å; Q280-I283 VanDerWaalsContact O-N 3.1Å; Q280-I284 WeakPolarHBondContact O-CD1 3.21Å; Q280-I284 WeakPolarHBondContact O-CG1 3.5Å; Q280-I284 PolarHBondContact O-N 2.97Å
281S94.6Very high88.1Confident2 Ų225.6 Ų25.61%0.01414%0.136CC..Hα-helixtrans-60-40.3179.3-58.90000112.4T38 D278 Y285T38-S281 PolarHBondContact OG1-OG 3.02Å; D278-S281 PolarHBondContact O-N 2.86Å; D278-S281 WeakPolarHBondContact OD2-CB 3.41Å; D278-S281 PolarHBondContact OD2-N 3.11Å; D278-S281 PolarHBondContact OD2-OG 3.41Å; S281-Y285 PolarHBondContact O-N 3.31Å; S281-Y285 VanDerWaalsContact O-N 3.15Å
282I95.3Very high87.9Confident2 Ų229.3 Ų29.31%0.0115%0.153CC..Hα-helixtrans-66.4-43.6173.1-59.9-73.6000111.2F214 W218 F224 L267 V272 P277 D278 Q280 I284 Y285 V286F214-I282 HydrophobicContact CB-CG2 4.44Å; F214-I282 HydrophobicContact CD1-CG2 4.21Å; F214-I282 VanDerWaalsContact O-CB 3.28Å; F214-I282 WeakPolarHBondContact O-CB 3.49Å; F214-I282 WeakPolarHBondContact O-CG1 3.47Å; F214-I282 WeakPolarHBondContact O-CG2 3.32Å; W218-I282 HydrophobicContact CB-CD1 4.17Å; W218-I282 HydrophobicContact CB-CG2 4.32Å; W218-I282 HydrophobicContact CD2-CG2 3.81Å; W218-I282 HydrophobicContact CE3-CG2 4.46Å; W218-I282 HydrophobicContact CG-CG2 3.69Å; F224-I282 HydrophobicContact CE2-CD1 4.46Å; F224-I282 HydrophobicContact CZ-CD1 3.87Å; F224-I282 HydrophobicContact CZ-CG2 4.45Å; L267-I282 HydrophobicContact CD1-CD1 3.94Å; V272-I282 HydrophobicContact CG1-CD1 3.99Å; V272-I282 HydrophobicContact CG2-CD1 3.84Å; P277-I282 HydrophobicContact CB-CD1 4.38Å; P277-I282 HydrophobicContact CB-CG1 4.29Å; D278-I282 WeakPolarHBondContact O-CG1 3.45Å; D278-I282 PolarHBondContact O-N 3.11Å; D278-I282 VanDerWaalsContact O-N 3.1Å; Q280-I282 VanDerWaalsContact C-N 3.33Å; Q280-I282 PolarHBondContact O-N 2.81Å; I282-I284 PolarHBondContact O-N 3.22Å; I282-Y285 PolarHBondContact O-N 3.26Å; I282-V286 HydrophobicContact CG2-CG2 4.22Å; I282-V286 WeakPolarHBondContact O-CB 3.28Å; I282-V286 VanDerWaalsContact O-CG2 3.26Å; I282-V286 WeakPolarHBondContact O-CG2 3.48Å; I282-V286 PolarHBondContact O-N 3.06Å
283I95.1Very high87.7Confident5 Ų531.6 Ų31.63%0.02616%0.163CC..Hα-helixtrans-58.3-47.5177.3-73.1162.2000110.8W133 I141 I193 L196 F214 E279 Q280 Y285 V286 S287W133-I283 HydrophobicContact CH2-CB 4.4Å; W133-I283 HydrophobicContact CH2-CD1 4.14Å; W133-I283 HydrophobicContact CH2-CG2 4.18Å; I141-I283 HydrophobicContact CD1-CG2 3.49Å; I141-I283 VanDerWaalsContact CD1-CG2 3.49Å; I141-I283 HydrophobicContact CG1-CG2 4.05Å; I193-I283 HydrophobicContact CD1-CD1 4.33Å; I193-I283 HydrophobicContact CG1-CD1 4.36Å; I193-I283 HydrophobicContact CG2-CD1 3.89Å; L196-I283 HydrophobicContact CD2-CG2 3.93Å; F214-I283 HydrophobicContact CB-CD1 4.15Å; F214-I283 HydrophobicContact CB-CG1 3.77Å; F214-I283 HydrophobicContact CD1-CB 4.41Å; F214-I283 HydrophobicContact CD1-CD1 4.49Å; F214-I283 HydrophobicContact CD1-CG1 3.43Å; F214-I283 VanDerWaalsContact CD1-CG1 3.43Å; F214-I283 HydrophobicContact CD2-CD1 3.86Å; F214-I283 HydrophobicContact CD2-CG1 3.63Å; F214-I283 HydrophobicContact CE1-CG1 3.81Å; F214-I283 HydrophobicContact CE2-CD1 4.37Å; F214-I283 HydrophobicContact CE2-CG1 4.01Å; F214-I283 HydrophobicContact CG-CD1 3.93Å; F214-I283 HydrophobicContact CG-CG1 3.31Å; F214-I283 HydrophobicContact CZ-CG1 4.09Å; E279-I283 WeakPolarHBondContact O-CB 3.39Å; E279-I283 VanDerWaalsContact O-CD1 3.3Å; E279-I283 WeakPolarHBondContact O-CD1 3.31Å; E279-I283 WeakPolarHBondContact O-CG1 3.3Å; E279-I283 PolarHBondContact O-N 2.68Å; Q280-I283 WeakPolarHBondContact O-CB 3.28Å; Q280-I283 PolarHBondContact O-N 3.23Å; Q280-I283 VanDerWaalsContact O-N 3.1Å; I283-Y285 PolarHBondContact O-N 3.22Å; I283-V286 PolarHBondContact O-N 3.48Å; I283-S287 PolarHBondContact O-N 3.31Å; I283-S287 PolarHBondContact O-OG 2.8Å; I283-S287 VanDerWaalsContact O-OG 3.09Å
284I94.8Very high87.4Confident0 Ų031.6 Ų31.60%016%0.164CC..Hα-helixtrans-64-41.2-177.5-61.8157.4000111.6F39 W42 W133 I136 L266 Q280 I282 S287 Q288F39-I284 HydrophobicContact CD1-CD1 3.68Å; F39-I284 HydrophobicContact CE1-CD1 3.32Å; F39-I284 HydrophobicContact CZ-CD1 4.29Å; W42-I284 HydrophobicContact CB-CG2 4.48Å; W42-I284 HydrophobicContact CG-CG2 4.11Å; W133-I284 HydrophobicContact CE3-CD1 4.1Å; W133-I284 HydrophobicContact CE3-CG1 4.41Å; W133-I284 HydrophobicContact CZ3-CD1 4.1Å; W133-I284 HydrophobicContact CZ3-CG1 3.99Å; I136-I284 HydrophobicContact CD1-CD1 3.71Å; I136-I284 HydrophobicContact CD1-CG1 4.26Å; I136-I284 HydrophobicContact CG2-CD1 4.5Å; I136-I284 HydrophobicContact CG2-CG1 3.85Å; I136-I284 HydrophobicContact CG2-CG2 4.12Å; L266-I284 HydrophobicContact CD1-CG2 3.9Å; Q280-I284 WeakPolarHBondContact O-CD1 3.21Å; Q280-I284 WeakPolarHBondContact O-CG1 3.5Å; Q280-I284 PolarHBondContact O-N 2.97Å; I282-I284 PolarHBondContact O-N 3.22Å; I284-S287 WeakPolarHBondContact CA-OG 3.31Å; I284-S287 PolarHBondContact O-OG 2.8Å; I284-Q288 PolarHBondContact O-NE2 3.36Å
285Y96.2Very high87.3Confident0 Ų029 Ų290%016%0.164CC..Hα-helixtrans-69.4-40.2176.6-175.1-119.8000111.7F224 F254 A257 I263 P264 L266 L267 S281 I282 I283 Q288 F289F224-Y285 HydrophobicContact CD1-CD1 4.16Å; F224-Y285 AromaticContact CD1-CE1 3.98Å; F224-Y285 HydrophobicContact CD1-CE1 3.98Å; F224-Y285 AromaticContact CE1-CD1 3.55Å; F224-Y285 HydrophobicContact CE1-CD1 3.55Å; F224-Y285 AromaticContact CE1-CE1 3.84Å; F224-Y285 HydrophobicContact CE1-CE1 3.84Å; F224-Y285 HydrophobicContact CZ-CD1 4.18Å; F254-Y285 AromaticContact CD1-CE1 3.54Å; F254-Y285 HydrophobicContact CD1-CE1 3.54Å; F254-Y285 AromaticContact CD1-CZ 3.83Å; F254-Y285 HydrophobicContact CE1-CD1 4.1Å; F254-Y285 AromaticContact CE1-CE1 3.43Å; F254-Y285 HydrophobicContact CE1-CE1 3.43Å; F254-Y285 VanDerWaalsContact CE1-CE1 3.43Å; F254-Y285 HydrophobicContact CZ-CE1 4.39Å; A257-Y285 WeakPolarHBondContact CB-OH 3.49Å; I263-Y285 HydrophobicContact CG2-CE2 3.95Å; P264-Y285 WeakPolarHBondContact O-CE2 3.44Å; L266-Y285 HydrophobicContact CB-CD2 4.1Å; L266-Y285 HydrophobicContact CG-CD2 4.38Å; L267-Y285 HydrophobicContact CD1-CD1 3.73Å; L267-Y285 HydrophobicContact CD1-CG 3.84Å; L267-Y285 HydrophobicContact CG-CD1 4.23Å; L267-Y285 HydrophobicContact CG-CG 3.98Å; S281-Y285 PolarHBondContact O-N 3.31Å; S281-Y285 VanDerWaalsContact O-N 3.15Å; I282-Y285 PolarHBondContact O-N 3.26Å; I283-Y285 PolarHBondContact O-N 3.22Å; Y285-Q288 PolarHBondContact O-N 3.35Å; Y285-F289 HydrophobicContact CD1-CE2 4.14Å; Y285-F289 AromaticContact CE1-CE2 3.7Å; Y285-F289 HydrophobicContact CE1-CE2 3.7Å; Y285-F289 HydrophobicContact CE1-CZ 4.05Å; Y285-F289 HydrophobicContact CE2-CE2 4.21Å; Y285-F289 AromaticContact CZ-CE2 3.74Å; Y285-F289 AromaticContact CZ-CZ 3.97Å; Y285-F289 WeakPolarHBondContact O-CD2 3.4Å
286V95.1Very high86.6Confident1 Ų129.4 Ų29.41%0.00617%0.168CC..Hα-helixtrans-75.5-25.7179.7-174.90000112.9I200 W218 F224 I282 I283 Q288 F289I200-V286 HydrophobicContact CD1-CB 4.36Å; I200-V286 HydrophobicContact CD1-CG1 3.41Å; I200-V286 VanDerWaalsContact CD1-CG1 3.41Å; I200-V286 HydrophobicContact CG1-CG1 3.71Å; W218-V286 HydrophobicContact CE3-CG2 4.2Å; W218-V286 HydrophobicContact CH2-CB 4.41Å; W218-V286 HydrophobicContact CH2-CG1 3.92Å; W218-V286 HydrophobicContact CH2-CG2 3.6Å; W218-V286 HydrophobicContact CZ2-CG2 4.14Å; W218-V286 HydrophobicContact CZ3-CG2 3.64Å; F224-V286 HydrophobicContact CD1-CG2 4.29Å; F224-V286 HydrophobicContact CE1-CG2 3.65Å; I282-V286 HydrophobicContact CG2-CG2 4.22Å; I282-V286 WeakPolarHBondContact O-CB 3.28Å; I282-V286 VanDerWaalsContact O-CG2 3.26Å; I282-V286 WeakPolarHBondContact O-CG2 3.48Å; I282-V286 PolarHBondContact O-N 3.06Å; I283-V286 PolarHBondContact O-N 3.48Å; V286-Q288 PolarHBondContact O-N 3.1Å; V286-F289 WeakPolarHBondContact O-CB 3.32Å; V286-F289 PolarHBondContact O-N 2.86Å; V286-F289 VanDerWaalsContact O-N 3.12Å
287S93.7Very high85.2Confident1 Ų136.5 Ų36.51%0.00720%0.195CC..Hα-helixtrans-63.1-27.3173.743.60000113.5I283 I284 F289 L290 E291I283-S287 PolarHBondContact O-N 3.31Å; I283-S287 PolarHBondContact O-OG 2.8Å; I283-S287 VanDerWaalsContact O-OG 3.09Å; I284-S287 WeakPolarHBondContact CA-OG 3.31Å; I284-S287 PolarHBondContact O-OG 2.8Å; S287-F289 VanDerWaalsContact C-N 3.32Å; S287-F289 PolarHBondContact O-N 3.41Å; S287-L290 WeakPolarHBondContact O-CB 3.22Å; S287-L290 PolarHBondContact O-N 2.93Å; S287-L290 VanDerWaalsContact O-N 3.14Å; S287-E291 WeakPolarHBondContact O-CB 3.36Å; S287-E291 PolarHBondContact O-N 3.39Å
288Q92.9Very high83.1Confident2 Ų242.1 Ų42.11%0.00922%0.221CC..Hα-helixtrans-65-34.3173-73.4155.980.800112.5I263 I284 Y285 V286 L290 E291 H292I263-Q288 HydrophobicContact CG2-CB 3.93Å; I284-Q288 PolarHBondContact O-NE2 3.36Å; Y285-Q288 PolarHBondContact O-N 3.35Å; V286-Q288 PolarHBondContact O-N 3.1Å; Q288-L290 PolarHBondContact O-N 2.83Å; Q288-E291 PolarHBondContact O-N 2.7Å; Q288-H292 PolarHBondContact O-CD2 3.07Å; Q288-H292 VanDerWaalsContact O-CD2 3.24Å; Q288-H292 PolarHBondContact O-N 3.45Å
289F92.8Very high80.4Confident1 Ų145.8 Ų45.80%0.00425%0.248CC..Hα-helixtrans-65.7-30.4174.8-66.3-102.9000111.7W199 V227 I228 I231 A257 L261 I263 Y285 V286 S287 F293W199-F289 VanDerWaalsContact CH2-C 3.48Å; W199-F289 HydrophobicContact CH2-CB 4.04Å; W199-F289 WeakPolarHBondContact CH2-O 3.38Å; W199-F289 HydrophobicContact CZ3-CB 4.34Å; V227-F289 HydrophobicContact CG1-CB 4Å; V227-F289 HydrophobicContact CG1-CD1 3.7Å; V227-F289 HydrophobicContact CG1-CE1 4.45Å; V227-F289 HydrophobicContact CG1-CG 3.98Å; I228-F289 HydrophobicContact CD1-CE1 4.48Å; I228-F289 HydrophobicContact CG1-CE1 3.76Å; I231-F289 HydrophobicContact CD1-CB 4.43Å; I231-F289 HydrophobicContact CD1-CD1 3.86Å; A257-F289 HydrophobicContact CB-CE1 4.01Å; A257-F289 HydrophobicContact CB-CZ 3.69Å; L261-F289 HydrophobicContact CD1-CE1 4.27Å; I263-F289 HydrophobicContact CD1-CB 4.3Å; I263-F289 HydrophobicContact CD1-CD1 3.36Å; I263-F289 HydrophobicContact CD1-CD2 3.96Å; I263-F289 HydrophobicContact CD1-CE1 3.51Å; I263-F289 HydrophobicContact CD1-CE2 4.09Å; I263-F289 HydrophobicContact CD1-CG 3.61Å; I263-F289 HydrophobicContact CD1-CZ 3.89Å; I263-F289 HydrophobicContact CG2-CD2 4.49Å; I263-F289 HydrophobicContact CG2-CE2 4.08Å; I263-F289 HydrophobicContact CG2-CZ 4.34Å; Y285-F289 HydrophobicContact CD1-CE2 4.14Å; Y285-F289 AromaticContact CE1-CE2 3.7Å; Y285-F289 HydrophobicContact CE1-CE2 3.7Å; Y285-F289 HydrophobicContact CE1-CZ 4.05Å; Y285-F289 HydrophobicContact CE2-CE2 4.21Å; Y285-F289 AromaticContact CZ-CE2 3.74Å; Y285-F289 AromaticContact CZ-CZ 3.97Å; Y285-F289 WeakPolarHBondContact O-CD2 3.4Å; V286-F289 WeakPolarHBondContact O-CB 3.32Å; V286-F289 PolarHBondContact O-N 2.86Å; V286-F289 VanDerWaalsContact O-N 3.12Å; S287-F289 VanDerWaalsContact C-N 3.32Å; S287-F289 PolarHBondContact O-N 3.41Å; F289-F293 WeakPolarHBondContact O-CB 3.39Å; F289-F293 PolarHBondContact O-N 2.73Å
290L89.9Confident77.8Confident4 Ų450 Ų502%0.02127%0.267CS..Hα-helixtrans-74.5-39.2172.4169.468.3000111.8L144 I148 L196 W199 S287 Q288 P294L144-L290 HydrophobicContact CB-CD2 4.08Å; I148-L290 HydrophobicContact CD1-CD1 3.74Å; I148-L290 HydrophobicContact CD1-CD2 3.89Å; I148-L290 HydrophobicContact CD1-CG 4.47Å; I148-L290 HydrophobicContact CG1-CD1 4.14Å; L196-L290 HydrophobicContact CD1-CB 4.12Å; L196-L290 HydrophobicContact CD1-CD2 3.78Å; W199-L290 HydrophobicContact CD2-CD1 3.98Å; W199-L290 HydrophobicContact CE3-CB 4.46Å; W199-L290 HydrophobicContact CG-CD1 4.09Å; W199-L290 HydrophobicContact CH2-CB 4.16Å; W199-L290 HydrophobicContact CZ2-CB 4.15Å; W199-L290 HydrophobicContact CZ2-CD1 4.07Å; W199-L290 HydrophobicContact CZ3-CB 4.31Å; S287-L290 WeakPolarHBondContact O-CB 3.22Å; S287-L290 PolarHBondContact O-N 2.93Å; S287-L290 VanDerWaalsContact O-N 3.14Å; Q288-L290 PolarHBondContact O-N 2.83Å; L290-P294 VanDerWaalsContact O-CA 3.23Å; L290-P294 WeakPolarHBondContact O-CA 3.29Å; L290-P294 WeakPolarHBondContact O-CD 3.2Å
291E87.1Confident74.7Confident74 Ų7454.8 Ų54.835%0.34629%0.29SS..Hα-helixtrans-64.8-50.5179.1-172.6165.6176.600112.4Q140 L144 S287 Q288Q140-E291 PolarHBondContact NE2-OE2 2.67Å; L144-E291 HydrophobicContact CD1-CB 3.74Å; L144-E291 HydrophobicContact CD1-CG 4.15Å; L144-E291 HydrophobicContact CD2-CB 4.04Å; L144-E291 HydrophobicContact CD2-CG 3.94Å; S287-E291 WeakPolarHBondContact O-CB 3.36Å; S287-E291 PolarHBondContact O-N 3.39Å; Q288-E291 PolarHBondContact O-N 2.7Å
292H85.3Confident71.9Confident88 Ų8859.4 Ų59.441%0.40732%0.32SS..Hα-helixtrans-76-29.1179.4-72.3-109.7000113Q288Q288-H292 PolarHBondContact O-CD2 3.07Å; Q288-H292 VanDerWaalsContact O-CD2 3.24Å; Q288-H292 PolarHBondContact O-N 3.45Å
293F86.2Confident68.8Low49 Ų4964.4 Ų64.422%0.21536%0.355CS..  trans-133.753.9-173-55-81.9000114.4W199 R203 I231 L261 I263 F289 G295W199-F293 WeakPolarHBondContact CZ2-O 3.49Å; R203-F293 PolarHBondContact NH2-O 3.45Å; I231-F293 HydrophobicContact CD1-CB 4.09Å; I231-F293 HydrophobicContact CD1-CD2 3.81Å; I231-F293 HydrophobicContact CD1-CG 4.03Å; I231-F293 HydrophobicContact CG1-CB 4.04Å; I231-F293 HydrophobicContact CG1-CD2 4.43Å; I231-F293 HydrophobicContact CG1-CG 4.17Å; I231-F293 HydrophobicContact CG2-CB 4.19Å; I231-F293 HydrophobicContact CG2-CD1 3.4Å; I231-F293 VanDerWaalsContact CG2-CD1 3.4Å; I231-F293 HydrophobicContact CG2-CD2 3.99Å; I231-F293 HydrophobicContact CG2-CE1 3.69Å; I231-F293 HydrophobicContact CG2-CE2 4.25Å; I231-F293 HydrophobicContact CG2-CG 3.56Å; I231-F293 HydrophobicContact CG2-CZ 4.11Å; L261-F293 HydrophobicContact CB-CE2 3.85Å; L261-F293 HydrophobicContact CB-CZ 3.94Å; L261-F293 HydrophobicContact CD1-CE2 4.4Å; L261-F293 HydrophobicContact CD2-CE2 4.34Å; L261-F293 HydrophobicContact CD2-CZ 3.95Å; L261-F293 HydrophobicContact CG-CE2 4.43Å; L261-F293 HydrophobicContact CG-CZ 4.43Å; I263-F293 HydrophobicContact CD1-CD2 4.36Å; I263-F293 HydrophobicContact CD1-CE2 4.02Å; I263-F293 HydrophobicContact CG1-CE2 4.39Å; F289-F293 WeakPolarHBondContact O-CB 3.39Å; F289-F293 PolarHBondContact O-N 2.73Å; F293-G295 VanDerWaalsContact C-N 3.3Å; F293-G295 PolarHBondContact O-N 3.29Å; F293-G295 VanDerWaalsContact O-N 3.16Å
294P75.2Confident65.9Low53 Ų5372.6 Ų72.634%0.34439%0.393SS..SBendtrans-55.8-40.4-169.319.9-32.6000113.6W199 L290W199-P294 PolarHBondContact NE1-O 3.04Å; L290-P294 VanDerWaalsContact O-CA 3.23Å; L290-P294 WeakPolarHBondContact O-CA 3.29Å; L290-P294 WeakPolarHBondContact O-CD 3.2Å
295G63.1Low63Low52 Ų5279.1 Ų79.154%0.53643%0.433SS..  trans-155.495.3176.900000114.1F293F293-G295 VanDerWaalsContact C-N 3.3Å; F293-G295 PolarHBondContact O-N 3.29Å; F293-G295 VanDerWaalsContact O-N 3.16Å
296T49Very low60.3Low75 Ų7584.7 Ų84.746%0.4646%0.461SS..  trans-85.9102.5152.833.40000108.2R203 E298R203-T296 PolarHBondContact NH2-OG1 2.72Å; T296-E298 PolarHBondContact O-N 3.21Å; T296-E298 VanDerWaalsContact O-N 3.17Å
297Q45Very low57.3Low188 Ų18893.1 Ų93.188%0.87950%0.5SS*.  trans-78.894.1178.7-174.2178.524.100109.9S299Q297-S299 PolarHBondContact O-N 3.49Å
298E40.7Very low54.3Low123 Ų123103 Ų10358%0.57554%0.538SS*.  trans-62.3120.9154.3-80.1174.8-175.700107.6K206 T296K206-E298 IonicContact NZ-OE1 2.68Å; K206-E298 PolarHBondContact NZ-OE1 3.43Å; K206-E298 IonicContact NZ-OE2 2.88Å; K206-E298 PolarHBondContact NZ-OE2 2.73Å; T296-E298 PolarHBondContact O-N 3.21Å; T296-E298 VanDerWaalsContact O-N 3.17Å
299S31.6Very low51.3Low92 Ų92107.3 Ų107.364%0.64357%0.568SS**  trans-59.7135.9167.1-173.80000108.8Q297 E301Q297-S299 PolarHBondContact O-N 3.49Å; S299-E301 PolarHBondContact O-N 2.89Å
300E38.3Very low48.4Very low187 Ų187114.1 Ų114.187%0.87461%0.609SS**  trans-71.677.9170-70.5-168.3158.500109.4P302E300-P302 VanDerWaalsContact O-CD 3.23Å; E300-P302 WeakPolarHBondContact O-CD 3.49Å; E300-P302 VanDerWaalsContact O-N 3.13Å
301E27.3Very low45.4Very low152 Ų152118.4 Ų118.471%0.7164%0.639SS**  trans-57.4111.8165.6-91.6-61.6138.700108.6S299 S303S299-E301 PolarHBondContact O-N 2.89Å; E301-S303 VanDerWaalsContact C-N 3.28Å; E301-S303 PolarHBondContact O-N 3.03Å
302P35.4Very low42.5Very low99 Ų99123.2 Ų123.264%0.64366%0.664SS**  trans-76.784-169.631.2-34.2000109.4E300 Q304E300-P302 VanDerWaalsContact O-CD 3.23Å; E300-P302 WeakPolarHBondContact O-CD 3.49Å; E300-P302 VanDerWaalsContact O-N 3.13Å; P302-Q304 WeakPolarHBondContact O-CG 3.47Å; P302-Q304 PolarHBondContact O-N 2.87Å
303S29.7Very low39.7Very low106 Ų106123 Ų12374%0.74169%0.686SS**  trans-57.3100179-72.60000110.4E301 V305E301-S303 VanDerWaalsContact C-N 3.28Å; E301-S303 PolarHBondContact O-N 3.03Å; S303-V305 VanDerWaalsContact C-N 3.32Å; S303-V305 PolarHBondContact O-N 3.36Å
304Q35.6Very low36.9Very low177 Ų177130.8 Ų130.883%0.82771%0.714SS**  trans-69.482.6-174-62.2-177.26.300111.3P302 I306P302-Q304 WeakPolarHBondContact O-CG 3.47Å; P302-Q304 PolarHBondContact O-N 2.87Å; Q304-I306 PolarHBondContact O-N 2.78Å
305V34Very low34.7Very low138 Ų138135.5 Ų135.584%0.83674%0.736SS**  trans-68.2106.7170179.40000108.1S303 E307S303-V305 VanDerWaalsContact C-N 3.32Å; S303-V305 PolarHBondContact O-N 3.36Å; V305-E307 PolarHBondContact O-N 2.83Å
306I38.1Very low33.1Very low116 Ų116138.7 Ų138.760%0.59574%0.741SS**  trans-63.7107.8-170.6-54.8170.2000110.7Q304 R308Q304-I306 PolarHBondContact O-N 2.78Å; I306-R308 HydrophobicContact CG2-CG 4.06Å; I306-R308 PolarHBondContact O-N 3.49Å
307E32.6Very low32Very low179 Ų179141.4 Ų141.484%0.83675%0.751SS**  trans-68.296.1171.9-171.8178.5-143.700110.6V305V305-E307 PolarHBondContact O-N 2.83Å
308R30.3Very low31.2Very low208 Ų208144 Ų14479%0.78575%0.753SS**  trans-9595.5173.4-84.3-170.1173.3881.2111.4I306I306-R308 HydrophobicContact CG2-CG 4.06Å; I306-R308 PolarHBondContact O-N 3.49Å
309S30Very low30.7Very low93 Ų93144.4 Ų144.465%0.6576%0.759SS**  trans-88.2112175.546.60000112.8
310V32.1Very low30.5Very low143 Ų143146.4 Ų146.487%0.86777%0.767SS**  trans-145.9130.7160.3-175.30000107.5
311S27.6Very low30.1Very low94 Ų94143.6 Ų143.666%0.65776%0.758SS**  cis158.1144.1-23.6-98.80000105.9
312M25.4Very low30.2Very low175 Ų175141 Ų14186%0.86276%0.757SS**  trans81.4117.3159.4-14380.472.500119.2
313G25.9Very low29.9Very low85 Ų85143.1 Ų143.188%0.87676%0.758SS**  trans-167.263.1170.100000110.6
314R29.1Very low30.1Very low211 Ų211144.6 Ų144.680%0.79675%0.753SS**  trans-109.8137.1-163-174.4-172.2-170.4-173.85.1112.4
315L28.4Very low29.8Very low152 Ų152142.9 Ų142.980%0.79675%0.747SS**  trans-164.5121.9147.7-88.3-175.4000106.7
316N28.4Very low29.8Very low120 Ų120147 Ų14764%0.64275%0.747SS**  70.2136.884.4-76.115.5000113.3
317L25.9Very low29.6Very low131 Ų131147.3 Ų147.369%0.68675%0.75SS**  cis-171.6138.63.416973.1000110.3
318R29.7Very low29.3Very low243 Ų243142.7 Ų142.792%0.91775%0.75SS**  trans-178.1136.4132.2-107.1173173.7159.6-0.1114.9
319D28.4Very low29.3Very low132 Ų132137 Ų13771%0.70675%0.747SS**  trans-92.9-170.7172.1-51.1-85.3000112
320V28.9Very low29.3Very low133 Ų133140.8 Ų140.881%0.80676%0.755SS**  trans77.8125.5162.6-179.20000115.4
321D29.9Very low29.2Very low128 Ų128144.4 Ų144.468%0.68475%0.753SS**  cis-176.8161.9-17.9-127.3-50.6000109.1
322S29.6Very low29.3Very low97 Ų97145.5 Ų145.568%0.67876%0.76SS**  trans63.4161.8144.9-71.20000119.7
323E28.9Very low29.6Very low144 Ų144148.1 Ų148.167%0.67376%0.761SS**  cis-156.4153.3-6.8-106.7-98.711700109.1
324H32.6Very low29.7Very low137 Ų137149.8 Ų149.863%0.63475%0.753SS**  21.2148.4129-68.276.7000120.3
325M30.4Very low29.9Very low141 Ų141148.3 Ų148.370%0.69575%0.753SS**  cis-174.8-17923.3-124.8-82.8157.500112.9N327M325-N327 PolarHBondContact SD-OD1 2.8Å
326R33.6Very low29.9Very low224 Ų224147.6 Ų147.685%0.84575%0.745SS**  trans125.2128.1130.8-162.7167.5-141.2-161.21.6116.3
327N34.3Very low30.1Very low124 Ų124150.9 Ų150.966%0.66375%0.749SS**  cis-162.2152.4-18.7-109.61.6000109.8M325M325-N327 PolarHBondContact SD-OD1 2.8Å
328G26.5Very low30.2Very low81 Ų81148.2 Ų148.284%0.83574%0.741SS**  trans-166.568.2173.100000114
329A29.5Very low30.1Very low88 Ų88145 Ų14573%0.72773%0.73SS**  trans-71.7155-164.900000116.3
330H29.4Very low30.1Very low174 Ų174146.3 Ų146.381%0.80673%0.734SS**  trans-159.1128132.9-110.962.4000115.5
331R30.9Very low29.9Very low219 Ų219147.3 Ų147.383%0.82673%0.728SS**  trans54.9109.5154.4-66.7-175.4170-146.3-3.2123.3
332S29.8Very low29.8Very low116 Ų116147.5 Ų147.581%0.81173%0.725SS**  40.1141.7122.8-46.20000121.3
333R32.3Very low29.7Very low230 Ų230149.6 Ų149.687%0.86872%0.722SS**  cis-178.5115.149.9-161.8-177.3-175.1-166.72.9115.7
334V27.7Very low29.5Very low120 Ų120148.6 Ų148.673%0.72772%0.721SS**  trans71.4140.2135.2174.60000123.7
335K32.7Very low29.3Very low180 Ų180146.2 Ų146.278%0.78372%0.72SS**  trans82.1153.4159.5-85.3179.6173.9-172.30120.3
336Q29.2Very low29Very low137 Ų137145.5 Ų145.564%0.6472%0.723SS**  cis-179.3127.6-28.9164.5-176.3-21.300113.3
337R31.7Very low28.5Very low189 Ų189143.4 Ų143.471%0.71372%0.723SS**  trans60.3160.8159.4-74.4-152.6-179.5177.5-1.9119.9Y339R337-Y339 VanDerWaalsContact CD-OH 3.25Å; R337-Y339 WeakPolarHBondContact CD-OH 3.34Å; R337-Y339 PolarHBondContact NH1-OH 3.35Å; R337-Y339 VanDerWaalsContact NH1-OH 3.12Å
338S27.5Very low29Very low76 Ų76142.6 Ų142.653%0.53173%0.725SS.*  cis179.7176.8-25.6-86.60000110.8
339Y27.8Very low30.2Very low175 Ų175144 Ų14469%0.68672%0.719SS**  trans66.1150.2159.310.4-101.8000118.3R337R337-Y339 VanDerWaalsContact CD-OH 3.25Å; R337-Y339 WeakPolarHBondContact CD-OH 3.34Å; R337-Y339 PolarHBondContact NH1-OH 3.35Å; R337-Y339 VanDerWaalsContact NH1-OH 3.12Å
340M28.4Very low30.6Very low160 Ų160144.6 Ų144.679%0.78872%0.715SS**  cis-157.7148.710.6-138.3170.769.100114.3
341F25.3Very low30.5Very low154 Ų154144.9 Ų144.968%0.67571%0.714SS**  trans44.2123.3141.8-91.6-139.1000122.8
342Q27.1Very low30.3Very low132 Ų132141.3 Ų141.362%0.61771%0.711SS**  83.2154.884-77.8-166.210.600114.7
343K27.1Very low30.3Very low140 Ų140142 Ų14261%0.60971%0.705SS**  cis-162.4165.410.5-137.2-178.6166.8-82.20112.7
344D26.5Very low30Very low123 Ų123137.5 Ų137.566%0.65870%0.697SS**  trans56.5166.8149.5-66.3-9.7000121
345S26.5Very low29.9Very low88 Ų88136.3 Ų136.362%0.61569%0.694SS**  cis-171.3145.6-37.2-177.20000110.6
346T24.5Very low29.8Very low125 Ų125132.2 Ų132.277%0.76769%0.688SS**  trans44.5115.4152.148.90000122.6
347Q24.5Very low29.7Very low181 Ų181132.1 Ų132.185%0.84670%0.696SS**  16.7161.1122.1-94.4-156.3-200122.4
348P44.4Very low29.8Very low106 Ų106127.2 Ų127.269%0.68869%0.691SS**  cis-132-117.5-10.529.8-2.6000115.1
349P51.5Low30Very low111 Ų111131.3 Ų131.372%0.72170%0.702SS**  trans-126.6-140.8-138.640.2-14.3000111.8
350P37.6Very low30.1Very low100 Ų100128 Ų12865%0.64970%0.696SS**  cis-143.3177.8-14.639.6-19.2000118.7
351K26.8Very low30.2Very low180 Ų180129.5 Ų129.578%0.78369%0.693SS**  trans76.3135.6134.7-93.9171.7-175.1179.40123.7
352L28Very low30.2Very low144 Ų144127.6 Ų127.675%0.75470%0.699SS**  trans71.9158.9149.4-55.9166.9000116.6
353L29Very low30.4Very low132 Ų132128.1 Ų128.169%0.69171%0.711SS**  cis-166.3172.2-11.8-115172.9000110.8
354I26.8Very low30.5Very low134 Ų134129.6 Ų129.669%0.68772%0.724SS**  trans71.6127153-76.5157.8000116.8
355S25.7Very low30.6Very low96 Ų96132 Ų13267%0.67173%0.731SS**  74.8148.161.5132.20000113.5
356S29.5Very low31.5Very low94 Ų94132.5 Ų132.566%0.65773%0.733SS**  cis-168.3172.58.9-104.80000111.8
357V28.4Very low32.1Very low135 Ų135138 Ų13882%0.81874%0.74SS**  trans70.2141.6143.3154.50000117.4
358S32.8Very low32.2Very low86 Ų86137.4 Ų137.460%0.60174%0.741SS**  cis-162.9-159.9-12.553.50000107.1
359E31.2Very low31.7Very low161 Ų161143.9 Ų143.975%0.75275%0.752SS**  cis-163.4172.5-0.3-132.5151.6106.800104.2
360D30.6Very low30.4Very low107 Ų107145.8 Ų145.857%0.57276%0.762SS**  cis-164.6-167.73.3-154.99.1000105.2
361R30.1Very low29.9Very low190 Ų190147.2 Ų147.272%0.71777%0.768SS**  cis-158.2131.2-3.6-164.2169.2-172.382.3-0.5111.3
362S26Very low29.9Very low114 Ų114143.6 Ų143.680%0.79777%0.772SS**  trans61.4155.5166.871.30000117
363V30.2Very low29.9Very low143 Ų143141.8 Ų141.887%0.86778%0.778SS**  cis-120.7162.84.9175.80000109.6
364L29.3Very low30Very low171 Ų171146 Ų14690%0.89578%0.784SS**  trans-90.1146.9-164.5-85.5159.7000117.6
365E29Very low29.8Very low173 Ų173145.3 Ų145.381%0.80879%0.792SS**  trans-85.9-158.9170.9-122.3-165.2172.300110.9
366P46.7Very low29.9Very low100 Ų100150.9 Ų150.965%0.64980%0.798SS**  cis-136-173-7.825.50000115.7
367R35.3Very low29.8Very low240 Ų240151 Ų15191%0.90680%0.799SS**  trans-64.2157.1158-74.5174163.3165.4-5.2112.8
368L27.7Very low29.8Very low169 Ų169148.8 Ų148.889%0.88579%0.79SS**  trans-141.1155.1163.2-76.5178.3000113.8
369R33Very low29.5Very low241 Ų241151.8 Ų151.891%0.90980%0.799SS**  trans-135.1138.4153.4-81.8-172.7176.1-175.7-0.1107.3
370V25.5Very low29.4Very low152 Ų152150.6 Ų150.692%0.92180%0.798SS**  trans-171.3159.9154.4129.70000109.5
371T26.3Very low29.4Very low129 Ų129151.9 Ų151.979%0.79180%0.803SS**  trans-102.1138.2-173.547.20000114.7
372A28Very low29.4Very low104 Ų104150.1 Ų150.186%0.8681%0.807SS**  trans53119145.500000122
373A27.6Very low29.7Very low106 Ų106150 Ų15088%0.87681%0.806SS**  -168.2149.912900000113.8
374R30.2Very low29.4Very low220 Ų220150.4 Ų150.483%0.8380%0.804SS**  trans-24.4143.1174.7-72172.715785.8-2.1120
375S23.5Very low30.5Very low121 Ų121146.1 Ų146.185%0.84679%0.786SS**  -139.9171.7120.9-162.90000109.8
376W27.3Very low31Very low212 Ų212143.5 Ų143.580%0.80378%0.784SS**  trans-114.6176.6-172.8-90.939.7000113.5
377S26.3Very low30Very low97 Ų97146.5 Ų146.568%0.67879%0.789SS**  trans-67.1-178.5-176.161.90000114
378S28.8Very low29.7Very low88 Ų88139 Ų13962%0.61578%0.779SS**  cis-153.1-165.625.4-60.30000112.9
379D27.6Very low29.7Very low149 Ų149140 Ų14080%0.79778%0.779SS**  trans90.8133.5149.4-54.1-19.9000118.6
380D29.4Very low29.4Very low136 Ų136135.1 Ų135.173%0.72777%0.771SS**  cis-167.4173.2-18-154-2.5000112.6
381I30.2Very low29.4Very low134 Ų134134.3 Ų134.369%0.68777%0.766SS**  trans68.2108.9156.5-54.2147.8000119.8
382L29.9Very low29.5Very low154 Ų154133.5 Ų133.581%0.80677%0.765SS**  -173110.7110.7-100.9-175.9000114.5
383S30.9Very low29.3Very low110 Ų110133.5 Ų133.577%0.76976%0.759SS**  trans55.693.3143.7-630000123.5
384D25.8Very low29.6Very low153 Ų153140.1 Ų140.182%0.81876%0.761SS**  trans-78.3178.9132.4-94.3-38.9000110.9
385P51.9Low29.3Very low81 Ų81136.5 Ų136.553%0.52675%0.754SS.*  cis-129.8-156.4-42.536.1-16.5000110.4
386P38.2Very low29.6Very low118 Ų118136.9 Ų136.977%0.76675%0.751SS**  -136.6149.792.441.7-30.7000112.9
387H27.4Very low29.9Very low163 Ų163130 Ų13076%0.75575%0.745SS**  62.7142.550.8-77.6-37000113.7
388A29Very low29.8Very low83 Ų83130.3 Ų130.369%0.68675%0.748SS**  cis-151.7173.2-000000109.2
389E27.9Very low29.5Very low189 Ų189132.6 Ų132.688%0.88375%0.753SS**  cis-99.1-113.91.1-58.6-166.369.200111.3
390D25.7Very low29.8Very low139 Ų139131.2 Ų131.274%0.74375%0.75SS**  cis-147.2161.4-5.3178.740.2000109.8
391V25.6Very low29.8Very low135 Ų135131.8 Ų131.882%0.81875%0.752SS**  trans-142122.7174.7170.50000108.6
392S27.8Very low29.7Very low111 Ų111132.4 Ų132.478%0.77675%0.752SS**  trans-159.3138.2153.2-164.50000115.3
393S24.1Very low29.6Very low104 Ų104130.4 Ų130.473%0.72774%0.742SS**  trans-104.3118.3164.356.90000110.5E395S393-E395 PolarHBondContact O-N 2.92Å
394R33.3Very low29.4Very low246 Ų246134.2 Ų134.293%0.92875%0.745SS**  trans25.394.6142.2-178.3-168.9170.1167.4-1.8116.6
395E25.1Very low29.6Very low143 Ų143129.9 Ų129.967%0.66874%0.737SS**  trans-162.7163.1148.7-135.4177.3-135.700113.7S393S393-E395 PolarHBondContact O-N 2.92Å
396T29.4Very low28.7Very low130 Ų130131.4 Ų131.480%0.79875%0.749SS**  trans67.7143.3167.867.10000120.4
397G33Very low29Very low66 Ų66130.9 Ų130.968%0.6875%0.746SS**  trans80.1111.1162.900000116.1
398S23.9Very low29.4Very low104 Ų104131.6 Ų131.673%0.72775%0.75SS**  cis56124.512.887.90000115.4
399D23.1Very low29.6Very low137 Ų137136.2 Ų136.273%0.73376%0.757SS**  cis-175.5-166.7-8.5-130.9-54.2000106.8
400V33.7Very low29.9Very low120 Ų120131.8 Ų131.873%0.72775%0.747SS**  trans74.2118.3161.2-166.50000115
401L29.6Very low30.1Very low147 Ų147132.4 Ų132.477%0.7774%0.743SS**SBendcis-106.8148.85.3-64.186.2000109.9
402Q27.7Very low30.4Very low147 Ų147131.1 Ų131.169%0.68774%0.736SS**SBendcis-152.2136.211.9-150164.9-22.400111.8
403D27.8Very low30.5Very low112 Ų112134 Ų13460%0.59974%0.737SS**  trans37.3135.2149.9-56.214.2000121
404F27.9Very low31Very low190 Ų190134.8 Ų134.883%0.83374%0.742SS**  cis-172.8148.8-14.6-94.6-59.5000106.9
405G30.3Very low31.9Very low63 Ų63129 Ų12965%0.64974%0.737SS**  cis161.8153.6-13.900000114.2
406S31.3Very low32Very low112 Ų112127.1 Ų127.178%0.78374%0.739SS**  trans66.2163.1136.7-690000123.5
407P45.5Very low32Very low107 Ų107126.2 Ų126.270%0.69574%0.738SS**  cis-149.2154.7-28.737.9-17.9000120.2
408Q35.3Very low31.7Very low179 Ų179129.7 Ų129.784%0.83675%0.746SS**  trans68.2161.4136.5-71.2-170.7-8.100123.9
409Q33.4Very low33.2Very low180 Ų180130 Ų13084%0.84175%0.745SS**  cis-135.6-126.828.8-63.2177.73.600118.5
410S33.7Very low33.4Very low96 Ų96132.7 Ų132.767%0.67175%0.754SS**  trans-156-164.6-157.256.30000113.5
411F31.6Very low33.1Very low151 Ų151131.6 Ų131.666%0.66275%0.752SS**  cis-17317314.2-135.6-10.3000114.3
412T31.6Very low33.2Very low108 Ų108131.6 Ų131.666%0.66375%0.752SS**  trans66.1166.8159.864.90000121.4
413H29.8Very low33.4Very low172 Ų172132.5 Ų132.580%0.79676%0.759SS**  cis-168.2173.9-30.1-90.9-20000112.9
414S34.2Very low33.5Very low120 Ų120130.1 Ų130.184%0.83976%0.761SS**  trans-170.8-171.3175-76.80000111
415P51.2Low33.7Very low126 Ų126128.7 Ų128.782%0.81876%0.762SS**  cis-137.4-155.8-5.145.3-25000115.3
416S27.7Very low33.9Very low103 Ų103130.8 Ų130.872%0.7277%0.767SS**  trans142.3138.4136.6-166.70000121.8
417S29.3Very low33.9Very low110 Ų110129.5 Ų129.577%0.76976%0.763SS**  trans74.3128.914150.20000128.8
418V28.3Very low33.2Very low139 Ų139131.4 Ų131.484%0.84277%0.766SS**  trans-55.9-174.8163.3-86.30000119.1
419P53.9Low32.8Very low110 Ų110129.8 Ų129.871%0.71476%0.763SS**  cis-139-175.3-40.139.7-21.6000114.9
420E27.1Very low32.6Very low194 Ų194126.5 Ų126.591%0.90776%0.76SS**  trans173-166.2134.3-95.9-161.7123.900116
421S27.9Very low33.4Very low98 Ų98127 Ų12769%0.68576%0.761SS**  trans-153.9177.5-152.866.10000118.3
422L32.3Very low33.4Very low147 Ų147126.8 Ų126.877%0.7777%0.767SS**  trans113133.8155.5-66.9163.4000122
423I32.2Very low33.3Very low166 Ų166126.1 Ų126.185%0.85177%0.766SS**  trans64.5146.2147.5-61161.5000118.7
424G29.7Very low33.4Very low62 Ų62128.2 Ų128.264%0.63977%0.767SS**  cis165.7159.9-9.300000115.2
425D31.1Very low33.1Very low160 Ų160128.6 Ų128.686%0.85676%0.758SS**  trans60.9127.4153.6-66.50.9000127.4
426S35.8Very low32.1Very low107 Ų107130.6 Ų130.675%0.74876%0.756SS**  83.6107.5128.3-67.50000126.7
427A29.6Very low32.1Very low85 Ų85129.6 Ų129.670%0.70276%0.762SS**  89139106.900000126.2
428I30.8Very low32Very low147 Ų147133.2 Ų133.275%0.75477%0.766SS**  trans65.5123.9146.561164.6000125.7
429N28.5Very low31.9Very low145 Ų145134.6 Ų134.678%0.77577%0.768SS**  148.8145.9116.6-83-33.2000117.2
430S28.4Very low30.6Very low111 Ų111136.7 Ų136.778%0.77677%0.774SS**  trans-108.4-164.2163.4-49.40000108.8
431P50.9Low31.7Very low106 Ų106132.1 Ų132.169%0.68876%0.761SS**  cis-151.3-169.210.146.6-24.1000119
432D30.3Very low31.5Very low147 Ų147133.2 Ų133.279%0.78676%0.759SS**  trans64.1112.7141.2-65.8-16.8000127.7
433S30.7Very low31.4Very low94 Ų94134.5 Ų134.566%0.65775%0.754SS**  84.1163.3106.7-155.10000124.9
434W30.6Very low31.1Very low216 Ų216134.5 Ų134.582%0.81875%0.748SS**  trans76.5152.5171-57.885.4000119.8
435M28.9Very low31Very low128 Ų128136.5 Ų136.563%0.63175%0.751SS**  cis-174.2158-38-108.5-67.4-119.700110.7
436E30.7Very low30.8Very low168 Ų168136.4 Ų136.479%0.78575%0.745SS**  trans55149.3151-72.8159.9140.500124.4
437G26.4Very low30.6Very low82 Ų82135.5 Ų135.585%0.84574%0.739SS**  trans162.7117.3166.600000115.5
438E27.1Very low30.5Very low185 Ų185141.9 Ų141.986%0.86474%0.744SS**  trans-100.3160.6-177.8-56.9178.8114.100114
439L28Very low30.5Very low169 Ų169138.6 Ų138.689%0.88574%0.735SS**  168.8164.4117.1-87.5170.5000114.5
440N25.1Very low30.5Very low154 Ų154138.6 Ų138.682%0.82474%0.735SS**  trans-135.2-172.9-179.4-136-10.2000107.6
441P50.3Low30.6Very low97 Ų97138 Ų13863%0.6373%0.73SS**  cis-143.9-14512.244.6-21000115.2
442D24.5Very low29.5Very low122 Ų122138.8 Ų138.865%0.65274%0.738SS**  trans86.5138.9161.3-79.40.1000119.4
443R31Very low29.6Very low174 Ų174139.5 Ų139.566%0.65774%0.741SS**  cis-173.2153.6-15-127.5171.7-149.3-105.85.3113.5
444F24.7Very low29.6Very low166 Ų166140.2 Ų140.273%0.72875%0.745SS**  trans62.9161.8158.3-68.7-52.9000118.3
445C27.6Very low29.4Very low104 Ų104136.2 Ų136.270%0.70374%0.74SS**  cis178.9161.7-37.6-1150000107.7
446E27.8Very low29.3Very low157 Ų157136 Ų13673%0.73475%0.751SS**  cis-167.8164.8-5.2-157.2-160.888.900109.8
447S30.5Very low29.2Very low88 Ų88131.2 Ų131.262%0.61575%0.747SS**  trans69.1146.9152.3-87.30000119.7
448R28.5Very low29.5Very low219 Ų219133 Ų13383%0.82675%0.746SS**  cis-161.2149.35.6-136.1-174.1178.3175.1-1.8113.1
449S30.7Very low29.6Very low78 Ų78128 Ų12855%0.54574%0.736SS.*  trans18.7146.8140.263.90000121.7
450D29Very low29.6Very low146 Ų146132 Ų13278%0.78174%0.74SS**  cis179.4174.1-5.9-101.2-54.5000107.2
451S30.2Very low30Very low97 Ų97131.6 Ų131.668%0.67874%0.738SS**  -173.6159.7-56.555.60000108.8
452S28.1Very low29.1Very low123 Ų123132.1 Ų132.186%0.8674%0.739SS**  trans-165.8153155.630.20000113.5
453L31.8Very low29.4Very low162 Ų162136.8 Ų136.885%0.84875%0.749SS**  trans-81.4163.3-178.3-59.5101.3000111
454C31.3Very low29.3Very low110 Ų110140.2 Ų140.274%0.74376%0.762SS**  cis-170.4164.8-8.4-108.70000105.8
455D24.8Very low29.6Very low131 Ų131136.6 Ų136.670%0.70176%0.762SS**  cis-155.2147.6-22.7-166.30.7000106.4
456S27.7Very low29.8Very low124 Ų124137.4 Ų137.487%0.86776%0.764SS**  trans-164.7107.9-178.7-79.60000112.4
457G28Very low30.2Very low67 Ų67136 Ų13669%0.69177%0.769SS**  trans84.4167-176.600000113.1
458S32.6Very low30Very low120 Ų120138.5 Ų138.584%0.83978%0.78SS**  cis-150.2-175.811.362.80000113.1
459A29Very low30.2Very low79 Ų79136.6 Ų136.665%0.65378%0.781SS**  trans-49159.9-179.300000116
460W29Very low30Very low255 Ų255140 Ų14097%0.96680%0.798SS**  trans-117127.7142.8-78103000109.4
461D32.1Very low30.3Very low144 Ų144140.2 Ų140.277%0.7780%0.796SS**  trans-145175.8170.6-154.7-21000107.5
462V32.6Very low31Very low109 Ų109141.3 Ų141.366%0.66180%0.801SS**  trans72.397.8-176.1-169.50000114.5
463Y29.5Very low31Very low219 Ų219145.2 Ų145.286%0.85980%0.798SS**  -158.1122.5101.4-106.7-73.5000111.5
464R30.7Very low31Very low246 Ų246144.1 Ų144.193%0.92879%0.793SS**  trans-121.8142157.7-86-157.7-71.2-169.8-4.3108.6
465A30.6Very low30.9Very low90 Ų90145.9 Ų145.974%0.74479%0.79SS**  trans-142.4129.5171.600000111.3
466T31.1Very low31Very low121 Ų121143.1 Ų143.174%0.74279%0.793SS**  trans-0.2132.9161.544.80000121.1
467P36.5Very low31Very low128 Ų128145.7 Ų145.783%0.83179%0.789SS**  trans-76.1169.2149.736.1-33.7000111.4
468V26.9Very low30.9Very low140 Ų140150.7 Ų150.785%0.84880%0.798SS**  trans-130.3144.1-179.5174.20000110.8
469E32Very low30.6Very low180 Ų180149.4 Ų149.484%0.84179%0.789SS**  trans-84.9152.6-177.5-48.1166.4123.100113.3
470V26.8Very low30.5Very low148 Ų148151.1 Ų151.190%0.89780%0.796SS**  trans-148.7139.7140.4-164.40000109.4
471M35.2Very low30.4Very low152 Ų152145.5 Ų145.575%0.74979%0.79SS**  trans-89.5177.4175.6-65.5-109.564.700112.5
472P45.3Very low30.7Very low119 Ų119147.7 Ų147.777%0.77380%0.795SS**  -145.4171.2101.639.9-25.7000116.8
473Y27.6Very low30.4Very low205 Ų205148.5 Ų148.580%0.80480%0.796SS**  trans-68.9-178.5166.8-62.5-112.7000110.8
474D31Very low30.3Very low139 Ų139148.7 Ų148.774%0.74380%0.795SS**  cis-160.7176.312.8-136.7-4.7000106.9
475E30Very low30.3Very low147 Ų147141.3 Ų141.369%0.68779%0.787SS**  cis-154.2-177.31.8-159.1-96.7106.800106.6F477E475-F477 PolarHBondContact OE1-N 3.38Å
476G26.1Very low31.3Very low74 Ų74142.4 Ų142.476%0.76379%0.786SS**  trans170.430.817100000120
477F29Very low31.2Very low177 Ų177144.4 Ų144.478%0.77679%0.793SS**  trans-92.9132.9-176-112.1-82.9000114.8E475E475-F477 PolarHBondContact OE1-N 3.38Å
478I26.4Very low30.9Very low173 Ų173146.7 Ų146.789%0.88779%0.792SS**  trans-135.6142.6148.3-65.3-172.8000108.7
479S26Very low31Very low93 Ų93143.7 Ų143.765%0.6578%0.778SS**  trans-141.8163.8-175.8176.70000111
480S27Very low31Very low114 Ų114143.5 Ų143.580%0.79778%0.78SS**  trans113.2146.6176.5-52.40000113.6
481V26.3Very low31.3Very low138 Ų138142.9 Ų142.984%0.83677%0.77SS**  cis-143.8163.44.190.40000111.6
482E37.3Very low31.1Very low189 Ų189143.7 Ų143.788%0.88377%0.772SS**  trans-118.5137.5178.5-154.3166.1164.700109.1
483D26.3Very low30.4Very low127 Ų127144.5 Ų144.568%0.67978%0.775SS**  trans-151.7130.6172-160.522.3000113.8
484R27.8Very low30.6Very low222 Ų222144.5 Ų144.584%0.83878%0.776SS**  trans53.3116.9156.4-80.2159.4-168.7-159.4-3.7123.9
485A31.3Very low30.7Very low91 Ų91143.8 Ų143.875%0.75277%0.77SS**  trans-77.5-172.3141.400000110.9
486P52.3Low30.6Very low113 Ų113142.6 Ų142.673%0.73477%0.769SS**  cis-138.1-173.84.345.1-27.7000115.8
487D27.8Very low31Very low164 Ų164147.9 Ų147.988%0.87777%0.773SS**  trans-165.1169.2134.7-110.2-16.5000112.2
488E29.7Very low31Very low176 Ų176142.8 Ų142.882%0.82277%0.771SS**  trans-140.6163.9-163.8-88.3-152.3-11100113.7
489S30.5Very low31Very low77 Ų77143 Ų14354%0.53877%0.77SS.*  cis-172162.6-23.957.70000109.3
490I31.1Very low31Very low176 Ų176143.3 Ų143.390%0.90377%0.772SS**  trans-159.3154.4169.4-103.7148.9000110.6
491I32.6Very low30.9Very low134 Ų134142.9 Ų142.969%0.68777%0.769SS**  trans-137.5146-156.1-66.4176.8000113
492E31.9Very low30.9Very low169 Ų169143 Ų14379%0.7977%0.765SS**  trans49.9124.7160-70.7166.6145.500123
493T31Very low30.3Very low136 Ų136139.6 Ų139.683%0.83475%0.753SS**  -179.7138.7110.925.20000109.1
494Y31.4Very low30.3Very low206 Ų206140.5 Ų140.581%0.80876%0.756SS**  65.6123.254.1-101.9-117.3000112.5
495I33.8Very low30.2Very low124 Ų124137.1 Ų137.164%0.63675%0.753SS**  cis-156.7172.88.4-6.8178.8000112.8
496D27.6Very low30.1Very low121 Ų121139.6 Ų139.665%0.64775%0.753SS**  trans91.3148.8134.7-79.6-27000125.9
497E33.5Very low28.9Very low185 Ų185139.5 Ų139.586%0.86475%0.751SS**  trans26.8144.6148.4-60.5-179.5166.300121.1
498G29.1Very low29.1Very low70 Ų70140.2 Ų140.272%0.72275%0.749SS**  cis151.3176.12.900000112.5
499M27.5Very low29Very low178 Ų178138.5 Ų138.588%0.87775%0.75SS**  trans57107.3159.4-69.2-64.6-173.800121.5
500S25.2Very low29Very low99 Ų99140.8 Ų140.869%0.69275%0.752SS**  65112.8113.6-58.60000123.3
501S26Very low28.8Very low105 Ų105141.2 Ų141.273%0.73474%0.743SS**  79.9160.6117.2-152.30000120.6
502L24.8Very low28.5Very low141 Ų141140.3 Ų140.374%0.73874%0.739SS**  trans71.7139.5170.4-48.8-179.2000115
503D24.8Very low28.2Very low118 Ų118139.4 Ų139.463%0.63174%0.735SS**  cis-167.4150.6-7.1-126.6-7.9000113.9
504I26.7Very low28Very low145 Ų145140 Ų14074%0.74473%0.728SS**  trans62.1176.4158.8-33.9150.5000111
505I25.4Very low27.8Very low151 Ų151139 Ų13977%0.77473%0.731SS**  cis-137133.920.5-67.6167.9000111.3
506D29.1Very low27.5Very low144 Ų144140.4 Ų140.477%0.7774%0.735SS**  trans-93.5162.9160.8-17412000109.4
507V28.1Very low27.6Very low111 Ų111140.2 Ų140.267%0.67373%0.728SS**  trans66.9151.1-176.7-133.60000111.5
508Q31Very low27.5Very low179 Ų179137.6 Ų137.684%0.83672%0.716SS**  cis-152.8161.726.3-49.7174.6-44.600114.6
509T27.9Very low27.6Very low140 Ų140141.2 Ų141.286%0.85971%0.714SS**  trans170.8127.7147.8-75.90000107.2
510E29.9Very low27.6Very low124 Ų124138.5 Ų138.558%0.57970%0.703SS**  cis-157.7126.6-9.1177.2-142.2-31.100107.8
511R27Very low27.8Very low185 Ų185139.8 Ų139.870%0.69871%0.707SS**  163.4124.7127.6-89-174.9-173.6103.925.1115.7
512N26.2Very low27.9Very low116 Ų116140.6 Ų140.662%0.6271%0.708SS**  trans61.5114.8138.1-56.515.7000118
513Q26.9Very low28.1Very low150 Ų150139.7 Ų139.770%0.70171%0.708SS**  67128.582.9-70.4174.4-69.700112.6
514E26.6Very low28.3Very low148 Ų148141 Ų14169%0.69271%0.714SS**  cis-15616419.3-116.4145.8-16500112.6
515E26.7Very low28.2Very low184 Ų184140.2 Ų140.286%0.8671%0.712SS**  trans48.4128.1159.7-58.9-179.9163.700120.1
516E28.8Very low28.3Very low154 Ų154141.3 Ų141.372%0.7271%0.713SS**  cis112.3122.115.6-154.6-157.2176.700114.4
517K29Very low28.4Very low118 Ų118143.8 Ų143.851%0.51372%0.717SS.*  trans67.6156.4156.4-93.3174-179.7155.10119.4D986K517-D986 IonicContact NZ-OD2 2.78Å; K517-D986 PolarHBondContact NZ-OD2 3.05Å
518Q31.2Very low29.2Very low130 Ų130143.4 Ų143.461%0.60772%0.716SS**  cis-150-159.3-10.5-151.1159.5-10.100111.6
519E31.1Very low29Very low145 Ų145141.1 Ų141.168%0.67871%0.71SS**  trans-97.4163.7-159.3-63.1173.479.300117.9
520N28.2Very low29.1Very low122 Ų122142 Ų14265%0.65271%0.709SS**  trans69123137.3-68.9-22.5000124.4
521T27.6Very low28.9Very low125 Ų125140 Ų14077%0.76771%0.714SS**  trans84105.813552.70000123.9
522V29.8Very low29Very low123 Ų123135.5 Ų135.575%0.74572%0.716SS**  78.7101.8119.9176.50000121.1
523T28.4Very low29.1Very low121 Ų121136.7 Ų136.774%0.74272%0.722SS**  trans77.1126.7144.251.80000124.9
524L27.8Very low29.3Very low145 Ų145136.9 Ų136.976%0.75973%0.727SS**  trans91.1116.2134.9-77.4167.9000122.4
525N26.2Very low29.5Very low130 Ų130137.6 Ų137.670%0.69573%0.73SS**  trans99.9126.9137.5-85-32.3000122.6
526H27.6Very low29.8Very low173 Ų173136 Ų13680%0.80172%0.723SS**  trans84.4107.3147.7-74.128.1000120.8
527K30.4Very low29.8Very low197 Ų197134.5 Ų134.586%0.85773%0.725SS**  trans-51160.4146.4-104.8177.4-179.4176.60111
528P44.2Very low29.8Very low102 Ų102136.7 Ų136.766%0.66273%0.734SS**  -157.1169.155.944.1-23.6000120.9
529N27.9Very low29.7Very low131 Ų131137.9 Ų137.970%0.70174%0.744SS**  trans72.2128.6141.2-73.1-9000124.2
530L28.5Very low29.5Very low159 Ų159137.6 Ų137.683%0.83274%0.744SS**  trans65.7156.5142.7-85.853.2000119
531A26.9Very low29.5Very low83 Ų83136.6 Ų136.669%0.68675%0.747SS**  cis179.6172.4-29.700000108.9
532A28.7Very low29.5Very low90 Ų90137.7 Ų137.774%0.74475%0.745SS**  trans69154.1163.200000117
533D29.5Very low29.2Very low141 Ų141138 Ų13875%0.75474%0.742SS**  cis-166.2-173.4-22.9-127.8-42.8000110.3
534L30.4Very low29Very low154 Ų154139.7 Ų139.781%0.80674%0.742SS**  trans80.7126.6169.7-58.8111.1000116.3
535E31.5Very low29Very low162 Ų162139.7 Ų139.776%0.75774%0.741SS**  cis100.689.730.4-74.5-84.5110.400114.4
536E32Very low30.1Very low151 Ų151138.4 Ų138.471%0.70674%0.74SS**  60.5176.9120.5-126.6-139.3-136.600123.1
537T27.9Very low30.1Very low123 Ų123135.5 Ų135.576%0.75573%0.734SS**  trans73.7149.4178.274.60000118.9
538K30.3Very low30.1Very low163 Ų163133.9 Ų133.971%0.70973%0.729SS**  cis168.8145.5-38.5164174.1-176.2170.60109.5
539L28.2Very low29.5Very low156 Ų156135.5 Ų135.582%0.81773%0.728SS**  trans141.5128.2162.3-80.2162000108.1
540M27.4Very low29.7Very low139 Ų139135.6 Ų135.669%0.68573%0.729SS**  cis100.2134.323.6-72.9-168.968.300116.3
541S28.2Very low29.8Very low101 Ų101132.4 Ų132.471%0.70673%0.725SS**  trans74.1156.2151.770.50000119.8
542M27.5Very low29.9Very low148 Ų148134 Ų13473%0.72973%0.727SS**  cis179.4172.7-28.5-102.3154.174.500110.1
543D23.8Very low29.9Very low128 Ų128136.9 Ų136.968%0.68473%0.728SS**  trans39.7154.1141.2-51.2-3.5000123.4
544E23.5Very low29.9Very low157 Ų157139.9 Ų139.973%0.73473%0.734SS**  cis-158.6131.1-4.5-128.9-143.9108.800113.5
545I28.3Very low30.5Very low146 Ų146137.4 Ų137.475%0.74972%0.721SS**  trans28.3-138.5155.9-10.2177.2000123
546P48.8Very low30.9Very low102 Ų102136.9 Ų136.966%0.66272%0.719SS**  -112.9-168.5-101.829.5-10.9000117.3
547V27.6Very low31.3Very low113 Ų113137.1 Ų137.169%0.68572%0.72SS**  trans145.8125.8132.5165.20000119.6
548Q30.8Very low32Very low162 Ų162136.6 Ų136.676%0.75772%0.719SS**  trans63.1157.7150.6-74.6169.7-33.700122.8
549Q31.9Very low31.9Very low137 Ų137136.2 Ų136.264%0.6472%0.724SS**  cis-165.3171.3-14.6-122.6176.2-76.800114.9
550D32.1Very low31.8Very low132 Ų132134.2 Ų134.271%0.70671%0.714SS**  trans72.4101.2150-61.3-6.7000126.5
551A31.7Very low31.9Very low92 Ų92137.2 Ų137.276%0.7672%0.718SS**  59.6114.4117.800000128.2
552V28.5Very low31.7Very low118 Ų118138.5 Ų138.572%0.71572%0.721SS**  93.31221171690000124.1D555V552-D555 VanDerWaalsContact C-OD2 3.27Å; V552-D555 VanDerWaalsContact CA-OD2 3.3Å; V552-D555 WeakPolarHBondContact CA-OD2 3.2Å
553I27.6Very low31.4Very low149 Ų149136 Ų13676%0.76472%0.717SS**SBendtrans102.994.1170.3-55.4164.5000113.3D555I553-D555 PolarHBondContact N-OD2 3.28Å; I553-D555 VanDerWaalsContact O-OD1 3.13Å
554K30.7Very low31.6Very low205 Ų205138 Ų13889%0.89172%0.722SS**SBendcis-144.183.11.3-173.3-170.6-176.7-169.10107.5
555D42.3Very low31.6Very low101 Ų101136.4 Ų136.454%0.5472%0.723SS.*  -106157.8-128.8-41.7-78.6000116.4V552 I553V552-D555 VanDerWaalsContact C-OD2 3.27Å; V552-D555 VanDerWaalsContact CA-OD2 3.3Å; V552-D555 WeakPolarHBondContact CA-OD2 3.2Å; I553-D555 PolarHBondContact N-OD2 3.28Å; I553-D555 VanDerWaalsContact O-OD1 3.13Å
556Q39.8Very low31.5Very low152 Ų152132.5 Ų132.571%0.7172%0.719SS**  trans28144.2144.5-125.163.634.200122.6
557E40.3Very low30.3Very low156 Ų156134.3 Ų134.373%0.72972%0.723SS**  trans-36.5139.4165.2-55.7137.8103.700113.6
558P43.5Very low30.3Very low111 Ų111135.8 Ų135.872%0.72173%0.726SS**  -158.8-173.8106.440.7-21.8000116.9
559L27Very low30.1Very low155 Ų155131 Ų13181%0.81271%0.711SS**  trans88.7126.6139.3-92.8173.4000122.7
560D27Very low29.9Very low115 Ų115133.2 Ų133.262%0.61572%0.719SS**  trans82.2152.6132.9-145.424.6000120.7
561R29Very low29.4Very low202 Ų202134.2 Ų134.276%0.76272%0.724SS**  trans69.4139.6164.4-70.4156.7-161.4-129.2-4.8117.8
562V24.7Very low29.2Very low127 Ų127134.3 Ų134.377%0.7773%0.725SS**  cis60.576.214.9-166.10000114.9
563C21Very low29.2Very low95 Ų95132.1 Ų132.164%0.64273%0.727SS**  trans-174.8139.6136.4-93.70000106.1
564E26.8Very low29.1Very low171 Ų171131.6 Ų131.680%0.79973%0.725SS**  cis66.2163.440.9-63-160.3121.200115.5
565T24Very low29Very low123 Ų123127.5 Ų127.576%0.75571%0.712SS**  trans92.2141.2167.373.50000117.1
566G26.8Very low28.2Very low65 Ų65129.1 Ų129.167%0.6772%0.717SS**  trans9771.8-149.100000109.4
567L23.8Very low27.6Very low140 Ų140129.2 Ų129.273%0.73372%0.715SS**  54125.756.4-53.3167.2000110.1
568D28.3Very low27Very low143 Ų143125.8 Ų125.877%0.76571%0.708SS**  cis-108.615525.9-68.5-56.9000115
569S24.9Very low26.4Very low62 Ų62126.4 Ų126.443%0.43471%0.705SS.*  cis83.7142.922.3108.10000115.8
570F27.7Very low26.5Very low184 Ų184125.9 Ų125.981%0.80770%0.699SS**  trans65.4120.8-168.6-57.4-81.4000115.5
571D23.1Very low26.4Very low152 Ų152126.3 Ų126.381%0.81370%0.7SS**  cis83.2148.123.9-160.128.3000116
572A26Very low26.5Very low95 Ų95123.3 Ų123.379%0.78570%0.7SS**  trans72143.2178.400000118.7
573G29.1Very low26.7Very low72 Ų72124.7 Ų124.774%0.74270%0.697SS**  trans96.965.8-178.200000112.9
574D25.8Very low26.8Very low137 Ų137129.1 Ų129.173%0.73371%0.706SS**  cis62.5145.135.3-165.332.1000114.8
575L27.3Very low27.1Very low119 Ų119127.6 Ų127.662%0.62370%0.699SS**  trans59.5109174.4-103.350.1000116.4
576E27.3Very low27.7Very low136 Ų136126.3 Ų126.364%0.63669%0.693SS**  81.1150.597-76.9-167.7158.600114
577K27.5Very low27.8Very low154 Ų154130.4 Ų130.467%0.6769%0.692SS**  cis-149178.64.8-135.2162.2-168.3139.80111.7
578S26.3Very low28.2Very low84 Ų84132.2 Ų132.259%0.58770%0.695SS**  trans-43.7148.6162.955.20000114.4
579D31.3Very low28.4Very low124 Ų124129.3 Ų129.366%0.66369%0.685SS**  -157.9125.2106.7-94.6-6.6000110
580Q30Very low28.4Very low143 Ų143133.5 Ų133.567%0.66871%0.709SS**  69.1101.288.8-69.2-169.785.300112.5
581L23.7Very low28.6Very low125 Ų125132.8 Ų132.865%0.65471%0.708SS**  80.7100.199-76.3170.9000114.3
582N31.6Very low30.5Very low139 Ų139130.8 Ų130.874%0.74370%0.703SS**  177.3118.1117.1-81-25.3000107.3
583Q27.8Very low32.1Very low155 Ų155131.9 Ų131.972%0.72470%0.702SS**  59.999.577.5-65.6-172.51.100111.6
584F23.4Very low32.3Very low188 Ų188136.6 Ų136.683%0.82571%0.705SS**  95.5118.659.8-103.8-91.6000111.7
585E33.3Very low32.5Very low139 Ų139137.2 Ų137.265%0.6570%0.704SS**  trans63.5178.7155.6-72.8-63.9131.600115.5F587E585-F587 WeakPolarHBondContact OE2-CD2 3.21Å
586P37.1Very low32.8Very low96 Ų96137.7 Ų137.762%0.62371%0.705SS**  cis-138.3150.6841-22.3000120
587F29.6Very low33.6Very low151 Ų151136 Ų13666%0.66271%0.706SS**  trans63.3175.1133.8-70.8-136.5000117E585E585-F587 WeakPolarHBondContact OE2-CD2 3.21Å
588F30.9Very low33.7Very low179 Ų179135.6 Ų135.679%0.78571%0.71SS**  cis-133.1156.311.4-77.3-104.5000109.5
589S32.6Very low33.9Very low81 Ų81138.1 Ų138.157%0.56672%0.716SS**  cis87.1118.528.3-57.70000116
590T24.7Very low33.9Very low151 Ų151140.1 Ų140.193%0.92672%0.719SS**  trans-139.299.6158.7-41.10000111.4
591E33.1Very low34.1Very low169 Ų169139.5 Ų139.579%0.7972%0.716SS**  trans-48.8-166.4158.4-73.4177.5155.500115.4
592P63.4Low34.6Very low109 Ų109140.2 Ų140.271%0.70872%0.721SS**  cis-125-174.9-7.38.719.5000113.8
593P58.1Low34.8Very low118 Ų118137.4 Ų137.477%0.76672%0.724SS**  cis-130.7-110.523.826.9-0.5000119.7
594E34.7Very low35.5Very low171 Ų171139.9 Ų139.980%0.79974%0.736SS**  -148.7173.4-128.1-71.2161125.900112.9
595E29.6Very low36.3Very low151 Ų151134.6 Ų134.671%0.70674%0.735SS**  cis-152.2164.69.8-142.9-156.4-15900113.3
596I32.8Very low36.6Very low129 Ų129133.9 Ų133.966%0.66275%0.745SS**  trans5.2142.5142.8-68.8171.9000120.2
597P44.2Very low37.1Very low101 Ų101137.7 Ų137.766%0.65675%0.754SS**  cis-152.9-173.4-26.745.7-24.5000117.8
598L28.9Very low37.7Very low144 Ų144138.5 Ų138.575%0.75476%0.76SS**  trans68114.8145.5-100.176.9000125.6
599I31.3Very low38.1Very low137 Ų137135.2 Ų135.270%0.70375%0.75SS**  71116.2118.8-71.1-178.4000124.3
600K30.4Very low38.3Very low166 Ų166134.5 Ų134.572%0.72276%0.756SS**  trans65.6138.4137.5-79.9-178.3146.3-147.10126.7
601Q34.6Very low38.7Very low130 Ų130134.9 Ų134.961%0.60775%0.747SS**  trans80.2130.2134.5-75.9-176-103.700123.9
602D35.5Very low38.5Very low141 Ų141136.2 Ų136.275%0.75475%0.751SS**  trans42.7145130.3-35.5-19.8000123.8
603G35.9Very low38.6Very low80 Ų80136.3 Ų136.383%0.82575%0.752SS**  trans153.4149.6154.900000118.7
604E40.5Very low38.7Very low206 Ų206135.7 Ų135.796%0.96375%0.748SS**  trans-139.8155.5-178.4-60.4171.786.300113.9
605G40.5Very low38.6Very low78 Ų78135.2 Ų135.280%0.80475%0.746SS**  trans119.3122.313100000124.9
606S41.1Very low38.7Very low123 Ų123136 Ų13686%0.8675%0.749SS**  98.2154.2127.9-145.40000126.2
607H45.8Very low38.5Very low177 Ų177136 Ų13682%0.81976%0.755SS**  trans-67.6-172.7-163.8-59.5-82.5000120.8
608Q43.7Very low39.4Very low167 Ų167136.6 Ų136.678%0.7876%0.759SS**  cis-158.3-175.412.7-146.6-176.1-48.600109.7
609D38.7Very low40.3Very low110 Ų110134.7 Ų134.759%0.58876%0.756SS**  cis-149-153.45.8-161.3-134.9000109Q611D609-Q611 PolarHBondContact OD1-NE2 2.98Å
610G36.3Very low40.2Very low67 Ų67137.3 Ų137.369%0.69177%0.765SS**  cis164.8179.610.400000111.4
611Q33.2Very low40.3Very low158 Ų158137.9 Ų137.974%0.73877%0.77SS**  cis-176.698.7-17-161.4176.2117.100115.4D609D609-Q611 PolarHBondContact OD1-NE2 2.98Å
612F28.4Very low40Very low197 Ų197138 Ų13886%0.86478%0.78SS**  trans63.8173.4160.5-71.7-99.6000122.3
613P66Low39.5Very low111 Ų111138.1 Ų138.172%0.72178%0.78SS**  cis-130-136.7-48.441.4-22.2000112.1
614P60.1Low39.1Very low106 Ų106139.4 Ų139.469%0.68878%0.777SS**  cis-139170.4-29.641.4-22.5000119.6
615E33.9Very low38.6Very low161 Ų161133.1 Ų133.175%0.75276%0.76SS**  trans71.2130.1139.4-81.1-166.4115.400131.1
616Q31.7Very low38Very low168 Ų168136.6 Ų136.679%0.78576%0.759SS**  trans82.3165.8142.6-66-166.935.700125.3
617T28.4Very low37.4Very low127 Ų127137.2 Ų137.278%0.77975%0.749SS**  trans-128.8-169.5-154.660.90000113.7
618P62.2Low36.5Very low114 Ų114135.2 Ų135.274%0.7474%0.744SS**  cis-120.4-128.4-22.429.7-3.8000109.8
619P48.9Very low35.8Very low105 Ų105136.6 Ų136.668%0.68275%0.751SS**  cis-139.8-173.9-24.942.5-22.9000117.8
620E29.2Very low35.3Very low191 Ų191139.4 Ų139.489%0.89377%0.765SS**  trans77153.8149.1-85.8176.1167.800125.2
621E31.5Very low35.2Very low179 Ų179145.6 Ų145.684%0.83678%0.776SS**  trans-120.1164.2-177.6-52.6176132.200111.7
622T29.2Very low35.1Very low133 Ų133146.1 Ų146.182%0.81678%0.778SS**  168.3159.4125.532.40000116.2
623D24.3Very low35.4Very low142 Ų142142.8 Ų142.876%0.75977%0.769SS**  trans84.5122.3165.9-72.1-15.7000120.9
624S27.6Very low34Very low107 Ų107144.8 Ų144.875%0.74877%0.768SS**  cis87.8145.230.9-58.30000114.2
625A29.8Very low32.7Very low75 Ų75145.2 Ų145.262%0.6276%0.764SS**  cis-174.2-162.8-19.400000108.6
626L28.7Very low32.7Very low150 Ų150144.5 Ų144.579%0.78576%0.763SS**  trans81.1145.6157.9-35.7-177.6000117
627Q28.1Very low32.9Very low137 Ų137140.2 Ų140.264%0.6475%0.752SS**  cis-164.8161.1-5.9-151.159.115.400113.1
628D27.1Very low33Very low135 Ų135142.2 Ų142.272%0.72275%0.749SS**  trans60.3156.5155.1-63.6-29.4000120
629E29.1Very low31.6Very low196 Ų196140.2 Ų140.292%0.91674%0.738SS**  cis-121.8179.78.1-73.4-175.597.800113.8
630L28.1Very low30.6Very low168 Ų168143.5 Ų143.588%0.8874%0.742SS**  trans-117.1143.1-178.5-81.1148.5000112
631E33.4Very low30.5Very low198 Ų198140.6 Ų140.693%0.92573%0.733SS**  trans-155.5168.5151.2-129.2171.1-159.700114.9
632E31.8Very low30.3Very low169 Ų169140 Ų14079%0.7973%0.73SS**  trans-79.4173-168-74-173.5141.300115.3
633L33.6Very low30.3Very low127 Ų127136.6 Ų136.667%0.66572%0.722SS**  cis-174.8169-34-111.6174.7000108.3
634H36.5Very low30.6Very low153 Ų153137 Ų13771%0.70872%0.723SS**  trans64.5157.1158.3-78.4-73.9000117.7
635D32.9Very low30.5Very low114 Ų114137.9 Ų137.961%0.6172%0.72SS**  cis-142.9161.98.2-14420.6000109.2
636M33.5Very low30.6Very low147 Ų147139.2 Ų139.272%0.72473%0.725SS**  cis-142.8-908.9-168.7-165.4-78.500113.5
637S36.2Very low30.5Very low78 Ų78137.2 Ų137.255%0.54572%0.723SS.*  trans-169.2172.7-166.963.30000109.1
638K31.4Very low30.6Very low168 Ų168136.6 Ų136.673%0.7373%0.728SS**  cis-135.7153.416.5-60.5177.5-177.2122.90108.6
639S32.2Very low30.8Very low73 Ų73138.9 Ų138.951%0.5174%0.735SS.*  cis71.7148.531.792.70000113.9
640F27.4Very low30.9Very low173 Ų173132.8 Ų132.876%0.75973%0.725SS**  cis-105.3-1464-59.3-89000109.5
641N27.6Very low31Very low130 Ų130134 Ų13470%0.69573%0.726SS**  cis-153.1175.66.3-150.184.5000111.8
642E28.5Very low30.7Very low167 Ų167131.5 Ų131.578%0.7872%0.719SS**  trans-68.7167.3176.8-54133138.400113.1
643G27.4Very low30.8Very low62 Ų62130.8 Ų130.864%0.63972%0.719SS**  cis137.9156.1-1.500000113.3
644N31Very low30.6Very low149 Ų149130.7 Ų130.780%0.79772%0.718SS**  trans66.4156.1174.6-74.255.4000116.8
645D26.5Very low30.3Very low126 Ų126132.8 Ų132.867%0.67472%0.72SS**  cis-150.6147.611.2-130.2-18.7000114.4
646S30.5Very low30.1Very low104 Ų104132.9 Ų132.973%0.72772%0.721SS**  trans48153.6137.683.10000123.1
647S28.6Very low29.8Very low107 Ų107134.3 Ų134.375%0.74872%0.723SS**  cis-177.2-174.3-17-1750000109.4
648V29.9Very low29.3Very low124 Ų124135 Ų13575%0.75273%0.728SS**  trans78.9118.5166.9-170.10000115.5
649E30.3Very low29.1Very low183 Ų183135.2 Ų135.286%0.85573%0.731SS**  cis103127.717.5-166.8178.9-145.700115.3
650G31.7Very low28.8Very low68 Ų68137.3 Ų137.370%0.70175%0.745SS**  trans86.2152.3169.400000116.6
651Q30.2Very low28.8Very low193 Ų193137.7 Ų137.790%0.90275%0.749SS**  cis-168.2152.4-21.6-132.7171.113.100107.9
652D27.6Very low28.8Very low146 Ų146140 Ų14078%0.78176%0.756SS**  trans-67.8166.6-177.3-51.9-94.4000114.6
653I32.5Very low28.7Very low154 Ų154135.8 Ų135.879%0.7975%0.75SS**  -177.7117.3119.2-94.9161.4000114.5
654L30.2Very low28.6Very low125 Ų125137.9 Ų137.965%0.65475%0.754SS**  trans78.2135.3143.9-10466.5000125.8
655R30.1Very low28.5Very low198 Ų198136.2 Ų136.275%0.74775%0.754SS**  trans83.8115.2147.8-66.6-156.2167.91107119.1
656D28.1Very low28.6Very low116 Ų116135.8 Ų135.862%0.6276%0.761SS**  97.5128.157.8-75.4-3000108.9
657F26.9Very low28.6Very low176 Ų176138.1 Ų138.177%0.77276%0.76SS**  cis-140.4155.31-91.4-76.9000109
658S27.7Very low28.7Very low94 Ų94138.5 Ų138.566%0.65776%0.758SS**  42.1137.4101.6-142.80000116.1
659Q27.1Very low28.6Very low171 Ų171137 Ų13780%0.79975%0.753SS**  cis-159.2174.626.9-156.6152.6-9.500112.6
660C24.8Very low28.6Very low118 Ų118134.6 Ų134.680%0.79775%0.747SS**  trans-113.6164.1176.8-59.40000112.6
661E27.1Very low28.6Very low181 Ų181138.5 Ų138.585%0.84674%0.744SS**  trans152.1167.2156.5-90170.9-152.700110.1
662E27.8Very low28.6Very low179 Ų179136.4 Ų136.484%0.83673%0.734SS**  -161.7-177.6-53.1-138.9-175.7-143.800110.7
663A25.9Very low28.4Very low78 Ų78133.9 Ų133.965%0.64573%0.728SS**  trans54.399.8152.600000124.1
664S27Very low28.1Very low105 Ų105133 Ų13373%0.73473%0.73SS**  32143124.260.20000126.1
665S28.2Very low27.9Very low114 Ų114136.2 Ų136.280%0.79774%0.738SS**  trans69.8156.5149.770.50000118
666S28.8Very low28.5Very low117 Ų117132.4 Ų132.482%0.81874%0.739SS**  cis-164.2-156-9.241.10000109
667E31.1Very low28.4Very low153 Ų153131.7 Ų131.772%0.71574%0.743SS**  -145.8169.9-95.2-150.5-76.7103.100109.2
668T29.1Very low28.5Very low115 Ų115130.4 Ų130.471%0.70674%0.743SS**  trans158139130.745.80000116
669S29.5Very low28.5Very low93 Ų93133.9 Ų133.965%0.6576%0.755SS**  trans67.7143145.3-94.20000119.6
670N29.7Very low28.7Very low133 Ų133132.1 Ų132.171%0.71175%0.75SS**  cis-169.1173.24.6-131.4-29.5000107.9
671K31.5Very low29.1Very low149 Ų149132 Ų13265%0.64875%0.747SS**  cis-166.8175.21.9-161.5167.7169.8-166.30109
672H29.2Very low29.1Very low150 Ų150131.4 Ų131.469%0.69475%0.749SS**  trans72158.8157.6-81.4-72.1000116.1
673S24.8Very low29.2Very low93 Ų93130 Ų13065%0.6575%0.746SS**  cis-156.5177.11.9-135.50000114.1
674V25.8Very low29Very low136 Ų136132.1 Ų132.182%0.82476%0.755SS**  trans72.3145.5166.8-1790000117.6
675K25.8Very low29.1Very low191 Ų191134.5 Ų134.583%0.8376%0.758SS**  trans-152171.6-174.3-89.5-171.5178.3-173.60106.7
676P43.3Very low28.9Very low119 Ų119136 Ų13677%0.77376%0.763SS**  cis-105.8-140.115.117.98000111.2
677S24.4Very low29Very low100 Ų100135.2 Ų135.270%0.69976%0.757SS**  cis-156177.112.8-58.20000112.8
678L30Very low28.8Very low149 Ų149136.7 Ų136.778%0.7876%0.764SS**  trans-126.5164.8166.2-66.490.8000110.1
679N27.9Very low29.5Very low167 Ų167137.2 Ų137.289%0.89377%0.77SS**  trans-149.4141.3151.5-99.6-39.6000110
680I30.7Very low29.5Very low135 Ų135141.2 Ų141.269%0.69278%0.778SS**  trans-138.9128.1177-58.7172.2000107.3
681P34.4Very low29.9Very low116 Ų116143.6 Ų143.675%0.75379%0.785SS**  trans-91.2112.4170.732.7-28.3000111.1
682L26.5Very low30.6Very low168 Ų168141 Ų14188%0.8878%0.784SS**  trans-94.2140.4157.5-85.2163000108.4
683I28.7Very low30.6Very low150 Ų150140.2 Ų140.277%0.76978%0.784SS**  trans-127.5131.9177.1-50.2177.9000108.4
684S23.1Very low31Very low121 Ų121144.2 Ų144.285%0.84679%0.793SS**  trans-153.4155.1172.7-74.90000109.7
685I29.3Very low31.1Very low155 Ų155145.6 Ų145.680%0.79579%0.79SS**  trans-113.3133.9-159.4-56.3161.4000110.8
686T23.1Very low31.2Very low145 Ų145142.7 Ų142.789%0.8979%0.789SS**  trans-148.5165.1156.946.70000109.6
687S30.3Very low30.6Very low101 Ų101144.7 Ų144.771%0.70679%0.788SS**  trans-128.6-177.2-157.9-51.80000114.5
688E26.9Very low31.4Very low184 Ų184145.3 Ų145.386%0.8679%0.789SS**  trans78.1155.3164.6-60-178.4115.500118.2
689P44.2Very low31.6Very low126 Ų126148.2 Ų148.282%0.81879%0.792SS**  cis-125.6-147.5-11.833.1-10.9000114.1
690E30.3Very low32.4Very low178 Ų178146.4 Ų146.483%0.83279%0.789SS**  trans-110.3160.2-152.6-58.2163.8123.300117.9
691E38.5Very low32.1Very low183 Ų183143.6 Ų143.686%0.85579%0.793SS**  trans62.4170.1147.4-83.7-170.5-166.500121.4
692P46.2Very low32Very low95 Ų95146 Ų14662%0.61780%0.797SS**  cis-136.3-160.31040.9-19.2000117.3
693D28.7Very low33Very low133 Ų133143 Ų14371%0.71179%0.788SS**  trans77.7115.7160-54.7-18.8000119.4
694E31.8Very low33.1Very low176 Ų176141.7 Ų141.782%0.82278%0.783SS**  74.7142.181.3-71.7-167.9162.600114.7
695E28Very low33.5Very low165 Ų165143.6 Ų143.677%0.77178%0.778SS**  cis-159.9-174.511.5-143.5-169.917900111.1
696T28.1Very low33.5Very low131 Ų131143.3 Ų143.380%0.80478%0.778SS**  trans109.9108.3154.5-44.20000121.4
697E32.1Very low34Very low161 Ų161144.1 Ų144.175%0.75277%0.772SS**  trans-93.2173.6152.7-85.5-94.7174.100109.7
698P41.3Very low34.2Very low112 Ų112145.8 Ų145.873%0.72777%0.769SS**  cis-146.6177.122.744.3-24.1000119.5
699Y33.6Very low34.6Very low211 Ų211144.8 Ų144.883%0.82776%0.764SS**  trans-76.4151.4157-93.5-89.2000112.5
700P44.9Very low34.1Very low129 Ų129144.6 Ų144.684%0.83876%0.756SS**  -156.8168.593.940.1-21.1000117.6
701G24.4Very low34.4Very low75 Ų75140.7 Ų140.777%0.77374%0.738SS**  trans173.3102.416500000117.5
702I32.5Very low34.2Very low166 Ų166139.9 Ų139.985%0.85173%0.734SS**  trans-144.8134.7175.7-74179.4000105.8
703P47.2Very low33.7Very low105 Ų105143 Ų14368%0.68273%0.734SS**  -144.6-169.873.942.1-21.1000113.7
704D30.3Very low33.7Very low124 Ų124141.8 Ų141.866%0.66373%0.727SS**  cis-160.6155.326.6-119-48.6000112.1
705Q32.2Very low33.7Very low160 Ų160137.9 Ų137.975%0.74872%0.719SS**  trans54.4136.7151.6-69.8151.452.800121.4
706D29.7Very low33.7Very low149 Ų149138.4 Ų138.480%0.79772%0.721SS**  cis-146.8-125.3-11.5-141.7-110.9000111.2
707E31.7Very low33.9Very low163 Ų163137.9 Ų137.976%0.76271%0.712SS**  cis-158.1-162.72-146.9-162.8-79.700111.7
708H35.2Very low33.9Very low136 Ų136138.6 Ų138.663%0.6372%0.716SS**  trans-60130.4-171-76.5-74.3000119.4
709E34.8Very low33.3Very low163 Ų163138 Ų13876%0.76271%0.714SS**  94147.996-79.7-177.1-164.800115.9
710D35Very low33.2Very low121 Ų121132.1 Ų132.165%0.64770%0.704SS**  cis-167175.2-18.1-161.418.6000104.3
711Q35.8Very low32.4Very low96 Ų96135.2 Ų135.245%0.44971%0.707SS.*  cis-165144.110.6-161.7-177.3104.200107.3R713Q711-R713 VanDerWaalsContact NE2-NH2 3.12Å
712Q34.9Very low32.5Very low167 Ų167135 Ų13578%0.7871%0.705SS**  167.3156.295.5-90.8-175.7-8.300111.1
713R35.2Very low33.1Very low161 Ų161133.1 Ų133.161%0.60870%0.704SS**  cis155.6129.1-19.1162.7169.4-51.4-589.5107.9Q711Q711-R713 VanDerWaalsContact NE2-NH2 3.12Å
714N28.6Very low32.5Very low107 Ų107135.1 Ų135.157%0.57271%0.709SS**  cis-141.9168.5-9.3-11363.5000105.9
715S32.6Very low33.7Very low93 Ų93134.9 Ų134.965%0.6571%0.714SS**  cis77.990.816.362.80000118.9
716E27Very low34.7Very low176 Ų176132 Ų13282%0.82271%0.709SS**  trans-146.3141.7166.6-75.8-161.6130.400109.7
717I33Very low34.7Very low121 Ų121129.8 Ų129.862%0.62171%0.705SS**  cis-163.4139.1-15.4-126.3166.2000111
718Q32.2Very low34.6Very low175 Ų175129.5 Ų129.582%0.81871%0.707SS**  trans62.9154.6152.6-71.2171.34.100121.5
719S29.6Very low34.2Very low99 Ų99128.6 Ų128.669%0.69271%0.711SS**  cis-168.1154.3-10.6171.20000114.5
720S30.1Very low33.7Very low89 Ų89126.1 Ų126.162%0.62271%0.711SS**  trans74.7125.4142.747.50000126.4
721Q29Very low33.4Very low194 Ų194124.6 Ų124.691%0.90771%0.709SS**  trans84.9136.7138.2-71.1175-64.300123.2
722G27.1Very low33Very low71 Ų71129.2 Ų129.273%0.73273%0.731SS**  trans-101.1-148.716500000112.3
723P44.9Very low32.7Very low125 Ų125125 Ų12581%0.81273%0.725SS**  cis-141.4-160.119.944.1-23.3000115.8
724D33.7Very low32.4Very low148 Ų148125.6 Ų125.679%0.79174%0.74SS**  trans-71.1-167.8170.2-37.6-90.2000113.5
725P56.4Low32.4Very low119 Ų119124.2 Ų124.277%0.77375%0.751SS**  cis-137-133.4-3.240.5-16.1000111.5
726P52.7Low32Very low100 Ų100128.5 Ų128.565%0.64976%0.76SS**  cis-140.7157.1-27.137.9-18.7000118.6
727S30.3Very low32.1Very low101 Ų101128.8 Ų128.871%0.70676%0.762SS**  trans64.7163.9133.372.90000125.5
728I27.8Very low33.2Very low158 Ų158128.2 Ų128.281%0.8177%0.766SS**  trans102.4141.4156.3-66.9164.6000118.4
729V27.3Very low34.4Very low117 Ų117125.2 Ų125.271%0.70976%0.762SS**  cis-173146-39.596.50000111.4
730C25.1Very low34.3Very low111 Ų111128.4 Ų128.475%0.7577%0.766SS**  trans57.4173.1156.7-68.10000121.3
731S29.1Very low34.5Very low89 Ų89131.5 Ų131.562%0.62277%0.774SS**  cis-175.5171.6-35.4-82.40000109.9
732E26.5Very low34.2Very low192 Ų192130 Ų13090%0.89777%0.771SS**  trans68.9162.2157.3-70.1162.8125.200119.4
733A29.3Very low34.2Very low80 Ų80131.2 Ų131.266%0.66177%0.768SS**  cis-175.1166.6-33.800000111.4
734D28.8Very low33.3Very low173 Ų173130 Ų13093%0.92576%0.762SS**  trans61.9159.6162.9-69.8-29.6000121.4
735G27.1Very low32.9Very low77 Ų77131 Ų13179%0.79477%0.767SS**  trans-172.5-51.1179.700000122.6
736Q25Very low31.8Very low183 Ų183132.4 Ų132.486%0.85577%0.766SS**  trans46.2100.3166.5-163.5169.312.700122.9
737E28Very low31.5Very low183 Ų183133 Ų13386%0.85577%0.771SS**  trans57156.6144.7-81.1-161134.600126.4
738P58.2Low31.9Very low108 Ų108136.2 Ų136.270%0.70177%0.774SS**  trans-101.2-155.2-170.245.1-39.8000113.9
739P56.6Low32.2Very low113 Ų113133.9 Ų133.973%0.73476%0.763SS**  cis-144.3-141.55.743.6-18.5000117
740E26.4Very low32.4Very low166 Ų166133.6 Ų133.678%0.77676%0.758SS**  trans79.8128176-54.1-160.7170.500117.6
741I35.2Very low32.8Very low153 Ų153136.8 Ų136.879%0.78576%0.759SS**  cis95120.535.5-66.7167.3000114.1
742L23.6Very low33.8Very low163 Ų163137.1 Ų137.185%0.85376%0.759SS**  trans-160.3140152.1-141.688.1000114.9
743S25.6Very low33.6Very low96 Ų96136 Ų13667%0.67176%0.756SS**  trans24.7122.8154.1-65.90000122.1
744S26.4Very low33.6Very low99 Ų99138.1 Ų138.169%0.69276%0.761SS**  cis95.6122.237.573.40000115.8
745L24.7Very low33.5Very low170 Ų170138.2 Ų138.289%0.8976%0.756SS**  trans175.4146134.8-97.2162.4000113.1
746I32.9Very low34.7Very low148 Ų148139.3 Ų139.376%0.75975%0.749SS**  trans-132162.5165.7-27.1177.2000107
747P47Very low34.8Very low113 Ų113138.9 Ų138.973%0.73475%0.747SS**  -153.6153.595.438.4-19.9000117.7
748E38.8Very low34.7Very low169 Ų169134.4 Ų134.479%0.7974%0.736SS**  trans38.5155.3134.6-57.2-155.4149.600123.4
749N34.4Very low33.1Very low108 Ų108137 Ų13758%0.57874%0.738SS**  cis-159.4-157.77.4-134.9-49.6000108.2
750N31.9Very low31.7Very low111 Ų111136.3 Ų136.359%0.59474%0.736SS**  cis-163.9133.74.1-135.7-65.4000111.9
751K33.1Very low31.8Very low179 Ų179134.8 Ų134.878%0.77873%0.733SS**  trans60.4172.7141-87.9-170175.6-1680123.4
752P50.2Low31.4Very low96 Ų96134.1 Ų134.162%0.62373%0.731SS**  cis-144.7163.2-36.838.2-20.8000117.9
753M22.6Very low31.9Very low168 Ų168133.8 Ų133.883%0.82873%0.725SS**  trans61.4161.8147.7-67.7168.769.700118.5
754T28Very low32.3Very low124 Ų124135.6 Ų135.676%0.76173%0.734SS**  cis-152.4161.920-270000112.3
755E27.4Very low32.5Very low175 Ų175133.1 Ų133.182%0.81873%0.725SS**  trans-92.1-173.2158.5-128.1-178.8-128.500109.1
756P51.7Low33.1Very low100 Ų100132 Ų13265%0.64972%0.72SS**  cis-131-127.8-14.440.6-19.5000111.3
757E28.2Very low33.2Very low175 Ų175133.4 Ų133.482%0.81872%0.723SS**  trans82.7142.6173.9-63.2-179.5-173.800117.1
758S24.9Very low32.4Very low89 Ų89135.7 Ų135.762%0.62273%0.729SS**  cis174.3166.5-4544.70000108.3
759E26.3Very low32.1Very low161 Ų161131 Ų13175%0.75273%0.726SS**  trans70.3133.7173.3-54.9-176.5154.700112.5
760S26.4Very low31.9Very low99 Ų99131.8 Ų131.869%0.69274%0.735SS**  cis68.9160.140.496.20000112.9
761L27.9Very low31.8Very low135 Ų135134.6 Ų134.671%0.70774%0.744SS**  trans72.8142-160.1-46168000112.9
762N27.6Very low32.4Very low138 Ų138131.3 Ų131.374%0.73874%0.741SS**  cis-165.3179.9-24.9-115.47.2000108.9
763E34.1Very low31.5Very low157 Ų157135.6 Ų135.673%0.73475%0.753SS**  trans-49.2157.9153-57.5179.996.900111.7
764P33.8Very low32Very low133 Ų133131.2 Ų131.286%0.86475%0.751SS**  -92.3151.55530.7-36.9000113.9
765G31.6Very low32.3Very low48 Ų48131.7 Ų131.750%0.49575%0.748SS.*  cis102.4134.79.200000111.9
766D36.7Very low32.6Very low146 Ų146132.5 Ų132.578%0.78175%0.745SS**  trans-71-179.7-171.7-60.9-79.4000115.3
767Q33.7Very low31.8Very low177 Ų177134.5 Ų134.583%0.82775%0.751SS**  trans86.998160.4-64.4153.376.600117.3
768D31.8Very low32Very low161 Ų161129.9 Ų129.986%0.86173%0.732SS**  39112.4105.6-167.222.5000117.1
769G32.5Very low32.3Very low70 Ų70131.1 Ų131.172%0.72273%0.731SS**  trans-176.254.8-168.400000117.2
770T30.5Very low32.6Very low125 Ų125131.3 Ų131.377%0.76773%0.725SS**  trans11.4127.1146-560000119.9
771H29.9Very low32.8Very low170 Ų170134.5 Ų134.579%0.78773%0.727SS**  trans17.9142.9141.8-93.9-65.5000120.9
772P44.7Very low32.9Very low111 Ų111136.5 Ų136.572%0.72173%0.725SS**  -152.8160.174.339.7-20.2000120
773E32.3Very low32.9Very low186 Ų186135.9 Ų135.987%0.86972%0.717SS**  trans37.4130.2142.9-60-177.3135.900124.7
774G33Very low32.7Very low76 Ų76137.2 Ų137.278%0.78472%0.724SS**  131.7142.1126.300000117.5
775D32.8Very low32.3Very low133 Ų133134.4 Ų134.471%0.71172%0.718SS**  cis-165.4176.6-19.1-159.21.3000110.1
776Y35.4Very low32.1Very low192 Ų192140.3 Ų140.375%0.75374%0.738SS**  trans81.4137.7172.1-54-70.6000117.7
777D33.9Very low32.2Very low142 Ų142139.2 Ų139.276%0.75974%0.739SS**  cis-144.5-173.69.3-154.180.5000113.8
778D32Very low32.1Very low79 Ų79133.9 Ų133.942%0.42273%0.732SS.*  trans-78.2129-173.5-168.522.8000110.4R780D778-R780 VanDerWaalsContact CG-NH1 3.34Å; D778-R780 IonicContact OD1-CZ 3.45Å; D778-R780 VanDerWaalsContact OD1-CZ 3.23Å; D778-R780 IonicContact OD1-NE 3.74Å; D778-R780 IonicContact OD1-NH1 2.71Å; D778-R780 PolarHBondContact OD1-NH1 3.24Å; D778-R780 IonicContact OD1-NH2 3.72Å; D778-R780 PolarHBondContact OD1-NH2 3.02Å; D778-R780 IonicContact OD2-CZ 3.29Å; D778-R780 IonicContact OD2-NH1 3.74Å; D778-R780 PolarHBondContact OD2-NH1 3.27Å; D778-R780 IonicContact OD2-NH2 2.79Å; D778-R780 PolarHBondContact OD2-NH2 3.15Å
779N31.3Very low31.7Very low114 Ų114136.5 Ų136.561%0.6173%0.731SS**  -166.7120.981.7-99.8-91.1000116.8
780R32.3Very low31.4Very low165 Ų165139.5 Ų139.562%0.62373%0.73SS**  48.4135.2119.2-70-169.7-171.294.817.8119.4D778D778-R780 VanDerWaalsContact CG-NH1 3.34Å; D778-R780 IonicContact OD1-CZ 3.45Å; D778-R780 VanDerWaalsContact OD1-CZ 3.23Å; D778-R780 IonicContact OD1-NE 3.74Å; D778-R780 IonicContact OD1-NH1 2.71Å; D778-R780 PolarHBondContact OD1-NH1 3.24Å; D778-R780 IonicContact OD1-NH2 3.72Å; D778-R780 PolarHBondContact OD1-NH2 3.02Å; D778-R780 IonicContact OD2-CZ 3.29Å; D778-R780 IonicContact OD2-NH1 3.74Å; D778-R780 PolarHBondContact OD2-NH1 3.27Å; D778-R780 IonicContact OD2-NH2 2.79Å; D778-R780 PolarHBondContact OD2-NH2 3.15Å
781K30.7Very low31.4Very low167 Ų167138.6 Ų138.673%0.72673%0.729SS**  cis-173.615634.1-117.4155.7173.2173.30106.6
782R30.4Very low31.7Very low177 Ų177139.3 Ų139.367%0.66873%0.733SS**  cis-169.6166.5-1.9-138.8-176.5176.9-152.3-23.2108.8
783E28.8Very low31Very low124 Ų124139.9 Ų139.958%0.57973%0.734SS**  trans24.6130.9136.9-74.9154.7-143.400118.6
784E28.1Very low31Very low186 Ų186138.3 Ų138.387%0.86973%0.732SS**  cis-145-176.612.3-50-176.4133.900107.6
785G26.2Very low31Very low73 Ų73137.6 Ų137.675%0.75372%0.724SS**  cis128.9133.236.900000110.1
786L27.4Very low30.9Very low172 Ų172137.1 Ų137.190%0.90173%0.73SS**  trans-85.9161.3146-87.2170.2000107.1
787P38.3Very low30.7Very low123 Ų123134 Ų13480%0.79973%0.726SS**  cis-129.5-155.25.442.2-24.2000112.7
788G31.8Very low30.5Very low66 Ų66131.2 Ų131.268%0.6872%0.717SS**  trans129.1108.6175.700000110.8
789Y24.3Very low30.4Very low215 Ų215134.8 Ų134.884%0.84373%0.732SS**  cis74.8127.919.2-102.3-82.1000116.7
790D26Very low30.3Very low133 Ų133136.5 Ų136.571%0.71174%0.736SS**  trans74.8156.7161.2-63.1-37000123.1
791S30.5Very low30Very low106 Ų106136.5 Ų136.574%0.74174%0.743SS**  trans72.5100.9176.2-44.80000114.8
792Q35.5Very low30Very low186 Ų186137.1 Ų137.187%0.86975%0.748SS**  cis6567.320.9-158-175.97.700115.3
793V29.2Very low30.7Very low123 Ų123133.4 Ų133.475%0.74575%0.747SS**  trans-163.4145.7157.8-910000105.3
794D33.8Very low30.9Very low153 Ų153135.3 Ų135.382%0.81876%0.761SS**  cis-123.8172.5-2.9-82.4-58.2000107.9
795G32.1Very low31Very low60 Ų60130.2 Ų130.262%0.61976%0.759SS**  cis107.3136.11800000110.6
796C30.4Very low31.3Very low123 Ų123135.3 Ų135.383%0.83177%0.769SS**  trans69.2138-172.5-71.20000115.8
797D31.8Very low31.6Very low128 Ų128130.5 Ų130.568%0.68476%0.76SS**  cis-157.4149.7-1.7-135.1-42.9000113.9
798S30.1Very low31.3Very low82 Ų82134.8 Ų134.857%0.57377%0.767SS**  trans46.7141.5145-69.40000122.3
799Q28.7Very low31.4Very low154 Ų154136.8 Ų136.872%0.7277%0.77SS**  cis-173.81494.1-113.2167.848.400111.2
800H29.2Very low32.5Very low150 Ų150131.8 Ų131.869%0.69476%0.764SS**  trans57.9149.1158.2-73.4-93.3000119
801E27.7Very low32.7Very low166 Ų166130.2 Ų130.278%0.77676%0.764SS**  cis-149.1-179.95.9-149.6145.5-121.700112.5
802E29.4Very low33Very low179 Ų179133.2 Ų133.284%0.83677%0.771SS**  trans-80.4-172.5177-49.8-175.512400112.2
803P45.1Very low32.8Very low99 Ų99127.5 Ų127.564%0.64376%0.762SS**  cis-145.3-173.33.246.1-26.6000118.2
804D32.3Very low32.7Very low164 Ų164130.3 Ų130.388%0.87777%0.766SS**  trans60.2146.5146.1-66-31.9000124
805G31.7Very low33.2Very low79 Ų79132.8 Ų132.881%0.81477%0.765SS**  trans147.3108.1139.500000119.6
806D31.5Very low33.6Very low180 Ų180136.2 Ų136.296%0.96377%0.769SS**  trans-77.2147.3159.9-75.4-80.6000112.4
807G34.1Very low34.3Very low71 Ų71135.9 Ų135.973%0.73276%0.763SS**  trans166.3113.8156.300000121.6
808K32.1Very low35Very low214 Ų214137.1 Ų137.193%0.9377%0.769SS**  trans58.8142.1133.5-76.7-178.8178.5175.90123.6
809S34Very low35.7Very low108 Ų108138.7 Ų138.776%0.75578%0.775SS**  trans-95171.2138.2-29.40000109.8
810P47.7Very low36.2Very low110 Ų110138.5 Ų138.571%0.71477%0.774SS**  cis-133.3-168.1-541.1-22.8000114
811S29.5Very low36.4Very low100 Ų100139.9 Ų139.970%0.69977%0.773SS**  trans67.8150.7154.251.60000122
812D36.6Very low36.5Very low169 Ų169138.7 Ų138.790%0.90477%0.768SS**  trans67.3150164.3-63.3-27000121.3
813G32Very low36.5Very low65 Ų65135.7 Ų135.767%0.6776%0.762SS**  trans124.265.9135.200000122.6
814H26.5Very low35.8Very low182 Ų182140 Ų14084%0.84377%0.773SS**  trans57.6-160.7144.4-156.661.2000118.3
815W45.6Very low35.5Very low206 Ų206139.7 Ų139.778%0.7877%0.772SS**SBendtrans-58.2129.4156.1-67.365.1000107.1
816D38.8Very low35.4Very low132 Ų132140.5 Ų140.571%0.70677%0.765SS**  -159.5153.562.5-97.8-39.6000114.7
817T46.6Very low36Very low116 Ų116137.1 Ų137.171%0.71275%0.753SS**  trans78.6106.2147.2-560000123.5
818L46.7Very low35.8Very low154 Ų154141.6 Ų141.681%0.80676%0.755SS**  trans56.5175142.2-86.971.2000122.3
819T45.1Very low35.6Very low115 Ų115138 Ų13871%0.70675%0.746SS**  -164.7153.7-67.631.50000112.7
820E38.7Very low35.3Very low150 Ų150140 Ų14070%0.70175%0.747SS**  trans74.4142.6153.7-80.4-161.9167.200124.3
821R32.9Very low34.2Very low178 Ų178141.4 Ų141.467%0.67275%0.748SS**  trans65.9163148.4-71.8-177.215496.27.9120.7
822E30.8Very low34Very low141 Ų141143.1 Ų143.166%0.65975%0.749SS**  cis-160.5154.1-24.4-111.3160.7-165.400111.1
823T28.8Very low33.5Very low116 Ų116139.5 Ų139.571%0.71274%0.737SS**  trans30.5145.1154.452.50000128.2
824E30.1Very low33.2Very low189 Ų189144.9 Ų144.988%0.88374%0.742SS**  trans70.9150.4149.8-71172.3-174.700119.5
825D26.1Very low33.3Very low158 Ų158142.9 Ų142.985%0.84574%0.738SS**  cis-153.6-175.247.6-168.26.4000114.1
826S28.9Very low32.5Very low97 Ų97135.8 Ų135.868%0.67873%0.728SS**  trans-102.9-173.3-180-145.90000112.6
827P45.7Very low32Very low108 Ų108138.5 Ų138.570%0.70173%0.734SS**  -158157.656.843.6-20.4000121
828Q28.1Very low31.2Very low165 Ų165139.8 Ų139.877%0.77173%0.732SS**  trans54.5131.4132.5-66.4-175.920.100126.6
829N28.1Very low30.4Very low140 Ų140138.4 Ų138.475%0.74973%0.726SS**  90.4151.3125.5-78.7-26000125.3
830L27.3Very low29.8Very low149 Ų149139.3 Ų139.378%0.7873%0.725SS**  trans89.7103.5157.8-72.2166.3000122.8
831L25.1Very low29.5Very low140 Ų140139 Ų13973%0.73373%0.727SS**  64.6143.3115.3-128.672.7000124
832D26.5Very low29.2Very low136 Ų136137.5 Ų137.573%0.72773%0.732SS**  trans57.5142.5163.8-66.4-36.9000119.6
833S25.8Very low29.3Very low92 Ų92134.8 Ų134.864%0.64373%0.734SS**  cis111.8144.511.4-1660000114.2
834F25.6Very low29.3Very low179 Ų179134.9 Ų134.979%0.78573%0.731SS**  trans74.7144.5175.1-91-87.5000122.3
835D29Very low30.3Very low140 Ų140131.1 Ų131.175%0.74972%0.723SS**  trans55.8149.6162.3-67.1-34.4000122.2
836G27.8Very low30.7Very low56 Ų56130.5 Ų130.558%0.57772%0.715SS**  cis137.8123.9-1000000115.6
837F28.5Very low30.9Very low190 Ų190134.2 Ų134.283%0.83372%0.719SS**  trans63169.3160.8-64.4-92.2000118.6
838Q29.2Very low30.3Very low142 Ų142136 Ų13666%0.66472%0.721SS**  cis178.7164.6-41.2-165.199.25.900109.5
839N30.6Very low30.5Very low126 Ų126136 Ų13667%0.67473%0.726SS**  trans72.9165141.7-85.83.2000120.6
840I32.9Very low30.6Very low134 Ų134132.6 Ų132.669%0.68773%0.725SS**  cis-170.1-165.8-33.2-142.4171.7000109.5
841L30.9Very low30.8Very low143 Ų143134.3 Ų134.375%0.74973%0.729SS**  trans100139.3168.8-55.1176.4000115.2
842D27.8Very low31Very low146 Ų146135.6 Ų135.678%0.78174%0.735SS**  cis-161173.83.9-132.4-22.1000108.4
843A31.9Very low31Very low85 Ų85132.4 Ų132.470%0.70273%0.734SS**  cis-162.2-179.55.200000112.6
844D29.2Very low31.2Very low118 Ų118134.9 Ų134.963%0.63175%0.746SS**  trans-85.8-172174.8-152.728.1000111.6Q846D844-Q846 WeakPolarHBondContact OD2-CG 3.47Å; D844-Q846 PolarHBondContact OD2-NE2 3.35Å; D844-Q846 VanDerWaalsContact OD2-NE2 3.08Å
845P51.3Low32.3Very low110 Ų110131.7 Ų131.771%0.71474%0.743SS**  cis-150.8146.117.442.2-17.4000124.5
846Q35.4Very low32.1Very low145 Ų145130.9 Ų130.968%0.67875%0.747SS**  trans30.1139.4136.1-48.4175.719.900125.1D844D844-Q846 WeakPolarHBondContact OD2-CG 3.47Å; D844-Q846 PolarHBondContact OD2-NE2 3.35Å; D844-Q846 VanDerWaalsContact OD2-NE2 3.08Å
847K32.1Very low32.2Very low175 Ų175133.7 Ų133.776%0.76176%0.758SS**  169.1126.7103.1-97.5-174177.7170.20120.6
848L33.2Very low33.4Very low145 Ų145130.4 Ų130.476%0.75976%0.756SS**  56.3123.7127.4-92.6165.9000126.7
849N32.6Very low34.5Very low164 Ų164129 Ų12988%0.87776%0.759SS**  94.4142126.9-143.916.5000123.3
850G30.3Very low34.5Very low70 Ų70127 Ų12772%0.72276%0.759SS**  trans159.3151.8169.500000116.9
851Q31.3Very low34.3Very low185 Ų185127.2 Ų127.286%0.86476%0.762SS**  trans-159.6168.8-175.3-156.1178.639.600114.3
852I29.5Very low34.4Very low166 Ų166127.9 Ų127.985%0.85177%0.765SS**  trans85.1141.5169.6-50.9158.5000114.8
853G26.7Very low35.8Very low70 Ų70126 Ų12672%0.72276%0.761SS**  cis-179.7179.7-1.400000114.4
854T30.4Very low35.8Very low144 Ų144133.6 Ų133.688%0.88377%0.772SS**  trans-90.5-173.6-177.620.70000114.1
855P48.5Very low35.8Very low112 Ų112135 Ų13573%0.72778%0.779SS**  cis-141.6-162.31036.6-11.5000117.8
856C23.1Very low34.8Very low122 Ų122137.9 Ų137.982%0.82479%0.788SS**  trans111.8158.6153.7-68.60000121.8
857S31.1Very low34.5Very low115 Ų115139.3 Ų139.380%0.80480%0.795SS**  trans-156.9-175.7-170.3-38.90000110.2
858P53.3Low35Very low122 Ų122136.8 Ų136.879%0.79280%0.796SS**  cis-117.3-118.3-20.324.61.6000109
859P51.6Low35.1Very low113 Ų113137.5 Ų137.573%0.73480%0.8SS**  cis-138.3-172-32.539.1-18.6000116.8
860A30.9Very low35.9Very low82 Ų82135.2 Ų135.268%0.67879%0.794SS**  trans97119.8139.100000124.8
861D29.4Very low35.7Very low139 Ų139137.6 Ų137.674%0.74380%0.799SS**  82.3105.3127.3-63-3.8000127.5
862L32.8Very low35.6Very low157 Ų157136.2 Ų136.282%0.82279%0.792SS**  84156.5121.9-66.9171.2000122.5
863P57.9Low35.7Very low108 Ų108136.4 Ų136.470%0.70179%0.787SS**  trans-136.8-168.2-144.246.4-29.9000116.2
864R31.3Very low35.9Very low244 Ų244140 Ų14092%0.92179%0.79SS**  trans-163.9158.4142.7-114.7167.8-160153.910.1116.4
865N28.7Very low35.8Very low146 Ų146145.1 Ų145.178%0.78179%0.793SS**  trans-79.5159.6-179.7-47.5-51.3000113.6
866L30.7Very low34.8Very low171 Ų171151.6 Ų151.690%0.89580%0.803SS**  -176.3144.5112.5-97.7158.2000112.9
867E29.5Very low35.4Very low176 Ų176151.3 Ų151.382%0.82280%0.803SS**  trans-92.8-172.3169.2-44.4168.196.200110
868P41.3Very low36.1Very low122 Ų122151.3 Ų151.379%0.79280%0.8SS**  cis-131.6-161.8-12.729.6-5.3000113.9
869L36.8Very low35Very low160 Ų160151 Ų15184%0.83880%0.796SS**  trans-72.6-170.4168.1-52.9164.2000111.6
870P48.9Very low34.1Very low116 Ų116154.2 Ų154.275%0.75380%0.801SS**  cis-141.9-160.9-2.942.2-20.8000116
871S25.2Very low34Very low119 Ų119160 Ų16083%0.83281%0.814SS**  trans95.7-175149.384.20000121.7
872H30.7Very low34.3Very low156 Ų156160.6 Ų160.672%0.72282%0.816SS**  -120.4164.1-126.5-126.4-91.2000116.9
873F30.7Very low34.3Very low170 Ų170160.2 Ų160.275%0.74682%0.821SS**  trans76.2139.3152.4-86-60.5000125.1
874D31.5Very low33Very low146 Ų146157.9 Ų157.978%0.78182%0.816SS**  trans57.7127.7146.9-84.58.5000124.9
875R28.2Very low33Very low252 Ų252153.7 Ų153.795%0.95181%0.812SS**  trans-158160.2134.8-116.8174.7-168.6-148.31.2114.9
876R27.3Very low33.1Very low247 Ų247157.6 Ų157.693%0.93282%0.816SS**  trans-91.8167.4-174.7-63.8-178.5-179.2175.9-0114.1
877S35.2Very low33.3Very low117 Ų117156.9 Ų156.982%0.81881%0.811SS**  trans-76.3173.9179.536.50000115.8
878P46.1Very low33.5Very low115 Ų115156.9 Ų156.975%0.74781%0.811SS**  trans-126.7146.1158.436.8-23.1000115.5
879T29.5Very low33.8Very low116 Ų116155.6 Ų155.671%0.71280%0.803SS**  trans19.3124.9148.849.70000120.7
880E33.4Very low33.4Very low180 Ų180155.6 Ų155.684%0.84180%0.8SS**  80.6115.565.1-76-174.2151.600116
881E29.2Very low32.7Very low204 Ų204156.3 Ų156.395%0.95380%0.798SS**  trans-152.6157.9139.4-161.8164.2-14500109.3
882L35.9Very low33.1Very low150 Ų150157.6 Ų157.679%0.78580%0.795SS**  trans-150.4126.9-145.8-179.7141.8000116.2
883V32.6Very low33.2Very low150 Ų150160.1 Ų160.191%0.90980%0.804SS**  trans-155.9140.3162.8-174.50000108
884G30.7Very low33.5Very low59 Ų59160.4 Ų160.461%0.60880%0.801SS**  cis163.689.1-6.400000114
885D30.2Very low33.9Very low155 Ų155159.5 Ų159.583%0.82980%0.804SS**  trans41.1130.1158.2-59.2-10.6000124.4
886R31.4Very low34Very low228 Ų228153.1 Ų153.186%0.8679%0.788SS**  -176.8116.8115.2-97.5170.4-174-134.2-0.3111.5
887I35.3Very low34.4Very low156 Ų156149.9 Ų149.980%0.878%0.781SS**  81.3122.287.4-68.8178.8000115.4
888E33.3Very low34.3Very low177 Ų177151.9 Ų151.983%0.82778%0.777SS**  trans-41.6-179.6163.8-85.6-172.513200119.1
889P48.9Very low33.8Very low95 Ų95154.3 Ų154.362%0.61778%0.779SS**  cis-142-163.3-29.236.3-15.7000114.1
890M28Very low33.7Very low159 Ų159154.9 Ų154.978%0.78379%0.787SS**  trans98.1160.9144.4-14162.381.600120.5
891D34.3Very low33.6Very low131 Ų131153 Ų15370%0.70178%0.782SS**  trans68.6113.5174.9-60.8-22.5000117.1
892L32.9Very low34.7Very low147 Ų147148.7 Ų148.777%0.7777%0.771SS**  68.9111.959.5-66.8172.5000113.6
893F33.6Very low34.8Very low208 Ų208147.2 Ų147.291%0.91277%0.771SS**  -167.4131.3121.9-112.7-74.5000112.2
894Y36.1Very low35Very low177 Ų177148.6 Ų148.669%0.69477%0.767SS**  trans-75.3164.7162.1-112.1-102000110.1D896Y894-D896 HydrophobicContact CD1-CB 4.21Å; Y894-D896 WeakPolarHBondContact CD1-OD2 3.48Å; Y894-D896 VanDerWaalsContact CE1-CG 3.49Å; Y894-D896 WeakPolarHBondContact CE1-OD2 3.37Å
895P40Very low35Very low127 Ų127154.2 Ų154.283%0.82578%0.782SS**  -132.798.9127.834.9-24.5000112.7
896D30Very low34.9Very low118 Ų118151.7 Ų151.763%0.63178%0.777SS**  trans-81.1143.4151.2-79.5-31.6000108.7Y894Y894-D896 HydrophobicContact CD1-CB 4.21Å; Y894-D896 WeakPolarHBondContact CD1-OD2 3.48Å; Y894-D896 VanDerWaalsContact CE1-CG 3.49Å; Y894-D896 WeakPolarHBondContact CE1-OD2 3.37Å
897K36.2Very low35.2Very low178 Ų178148.4 Ų148.477%0.77478%0.777SS**  trans166.9133.5152.1-94155.5178.5-68.50109.3
898E32.8Very low35Very low159 Ų159146.6 Ų146.674%0.74378%0.777SS**  cis-151.6156.51.9-136152.5-14300109.5
899E36.3Very low35Very low166 Ų166145.8 Ų145.878%0.77678%0.779SS**  trans-83.9163.6-166.5-58.316893.800115.2
900S26.7Very low34Very low128 Ų128149.3 Ų149.390%0.89579%0.789SS**  trans-160.7119.9141.6-76.60000111.9
901I32Very low34.3Very low142 Ų142149.6 Ų149.673%0.72879%0.789SS**  trans-132.9-178.1171.9-2.9175.5000106.3
902P51.1Low34.2Very low113 Ų113153.3 Ų153.373%0.73479%0.793SS**  cis-116.5-146.5-26.731.9-8.1000108
903P39.2Very low33.8Very low118 Ų118157.9 Ų157.977%0.76680%0.8SS**  cis-140.4176.72.545.5-26.4000118.8
904E36.1Very low33.9Very low180 Ų180153.1 Ų153.184%0.84179%0.79SS**  trans-82.2163.2159.9-71.4-174.1111.100113.1
905L31.1Very low33.8Very low176 Ų176150 Ų15092%0.92179%0.794SS**  trans137.9140.6164.2-80.9165.9000108.1
906S27.8Very low33.5Very low103 Ų103149.6 Ų149.672%0.7279%0.789SS**  cis-158.5166.14.852.40000110.5
907D37.8Very low33.5Very low159 Ų159151.9 Ų151.985%0.8580%0.8SS**  trans-57132.9170.8-81.1-56.6000113.9
908S31.3Very low33.5Very low117 Ų117147.5 Ų147.582%0.81879%0.792SS**  trans-178.3100.7148.4-80.70000112.8
909D32Very low33.3Very low161 Ų161146.5 Ų146.586%0.86180%0.797SS**  trans39.9153.9140.8-103.9-44.4000125.8
910M29.5Very low33.4Very low169 Ų169144 Ų14483%0.83380%0.798SS**  trans75.980.3158.2-68.6176.459.100122.3
911Q34.1Very low33.8Very low164 Ų164142.1 Ų142.177%0.76679%0.789SS**  36.4143123.8-74.1-164800124.9
912R31.1Very low33.7Very low209 Ų209143.8 Ų143.879%0.78980%0.799SS**  trans78.1122.3147.8-76.6173.1179.1171.91.7121.2
913W25.5Very low32.8Very low244 Ų244146.8 Ų146.892%0.92480%0.803SS**  trans-149178.8133.4-76.3109.4000107.6
914P35.5Very low33.2Very low107 Ų107147 Ų14770%0.69580%0.804SS**  -136.7149.6-95.338.5-17.8000117.9
915S33.3Very low32.8Very low112 Ų112143 Ų14378%0.78380%0.802SS**  trans-80.9163.3144.1-53.40000108.2
916V33.3Very low34.5Very low119 Ų119140.1 Ų140.172%0.72179%0.794SS**  cis-172.4158.147.9-177.70000106.7
917L31.4Very low35.6Very low165 Ų165140.9 Ų140.986%0.86480%0.796SS**  trans-153.8151.5140.2-77.9-168.8000111
918S35Very low35.4Very low87 Ų87138.1 Ų138.161%0.60879%0.79SS**  cis176.4136.5-35.7-106.70000111.1
919V29.5Very low35.4Very low138 Ų138138.2 Ų138.284%0.83678%0.781SS**  trans-147.1102.3156.4-170.90000112.2
920S38.5Very low35.7Very low114 Ų114141 Ų14180%0.79778%0.78SS**  29.2154.3129.8-40.10000122.3
921A33.5Very low37Very low87 Ų87137.7 Ų137.772%0.71977%0.771SS**  cis-163.9172.51700000116
922L30.3Very low37Very low178 Ų178138.3 Ų138.393%0.93277%0.773SS**  trans87.5160.4153.6-69.8165.3000121.9
923Q33.4Very low36.9Very low176 Ų176135.5 Ų135.582%0.82277%0.774SS**  trans-162.7148-147.8153.1-179.370.500110.3
924P46.9Very low38.3Very low121 Ų121128.5 Ų128.579%0.78676%0.76SS**  -159.9136108.538.4-16.4000121.1
925A28.8Very low38.1Very low96 Ų96132 Ų13279%0.79377%0.767SS**  71.8153.3129.800000124.6
926P64.8Low38.1Very low117 Ų117132.1 Ų132.176%0.7676%0.763SS**  trans-119.3-175.1-167.545.4-32.2000115.1
927P51.2Low37.9Very low118 Ų118132.2 Ų132.277%0.76676%0.759SS**  -143-177.9104.941.2-27.2000111.8
928S34.8Very low37.7Very low102 Ų102132.1 Ų132.171%0.71375%0.753SS**  cis-179.7166.3-16.1-97.50000107.1
929D32Very low37.4Very low118 Ų118135.3 Ų135.363%0.63176%0.762SS**  cis-164.4149.6-6.5-124.661000110.5
930R36.7Very low37.2Very low220 Ų220134.3 Ų134.383%0.8376%0.761SS**  trans64.7161.8141.8-86.1-178168.3-174-4.3124.1
931P58.2Low36.4Very low100 Ų100132.8 Ų132.865%0.64976%0.763SS**  cis-141.2178.4-16.935.5-14.3000117.8
932E32.5Very low36Very low176 Ų176132 Ų13282%0.82276%0.763SS**  trans84.791.7156.5-42.6-157.7168.400121.7
933D29.8Very low36Very low151 Ų151131.4 Ų131.481%0.80776%0.756SS**  35162.2105.5-83.1-28.1000122.6
934P55.1Low35.9Very low96 Ų96130.4 Ų130.462%0.62375%0.751SS**  cis-144.3160.8-22.936.5-17.7000117.4
935Q32.2Very low35Very low180 Ų180129.7 Ų129.784%0.84174%0.741SS**  trans61.8160146.7-69.7179.3-1.800120.1
936V32.4Very low35Very low116 Ų116134 Ų13470%0.70374%0.737SS**  cis-161.9-177.2-26.9-790000106.6
937D30.1Very low33.4Very low120 Ų120134.2 Ų134.264%0.64274%0.736SS**  cis-161.6179.22.1-137.4-33.7000113.2
938F26.9Very low33.6Very low164 Ų164134 Ų13472%0.71974%0.735SS**  trans41.6119151.9-82.2-71.9000124.7
939L27.7Very low34.8Very low154 Ų154134 Ų13481%0.80673%0.732SS**  trans32.6141.8131.4-65.6-179.1000124.5
940S25.1Very low34.6Very low117 Ų117135.3 Ų135.382%0.81874%0.739SS**  trans86.3114.7137-169.40000121.7
941G23.2Very low34.4Very low82 Ų82129.6 Ų129.685%0.84573%0.733SS**  trans1.8159149.500000124.9
942G24.2Very low34.2Very low70 Ų70131 Ų13172%0.72274%0.742SS**  trans145.4114.8159.300000116.5
943E29.3Very low34Very low166 Ų166130.6 Ų130.678%0.77675%0.745SS**  trans46.8131.5133.7-61.2-167.976.500124.3
944Q31.9Very low34.2Very low155 Ų155128.6 Ų128.672%0.72474%0.743SS**  trans58.7145.8140.1-54.2-176.461.300118.6
945D27.7Very low33.1Very low106 Ų106131.2 Ų131.257%0.56775%0.746SS**  cis-168165.839.5-165.820.2000114.2
946R28.6Very low33Very low186 Ų186129.4 Ų129.470%0.70274%0.738SS**  trans18.1119.9157.4-77.2161.3-164.21116.6124.7
947T31.2Very low32.9Very low122 Ų122132 Ų13275%0.74874%0.742SS**  27.1164.5109.862.10000122.8
948P56.2Low32.7Very low113 Ų113131 Ų13173%0.73474%0.744SS**  cis-135.3-131.9-27.139.1-16.9000110.1
949P60.8Low32.8Very low103 Ų103129.1 Ų129.167%0.66975%0.746SS**  cis-108.8-167-47.436.7-17.9000111.4
950D27.8Very low32.7Very low144 Ų144129.7 Ų129.777%0.7775%0.746SS**  cis-173.4-175.749.9-139-32000116
951S32.6Very low32.6Very low100 Ų100130 Ų13070%0.69975%0.747SS**  trans-87.5-176.6-163.5-52.30000115
952P52.3Low32.7Very low131 Ų131129.7 Ų129.785%0.85174%0.744SS**  cis-146-174.319.244.6-22.5000120.3
953L29.8Very low32.6Very low167 Ų167132.6 Ų132.687%0.87475%0.747SS**  trans-112.2163.3-174.9-94.7155.6000114
954S33.9Very low32.4Very low109 Ų109130.3 Ų130.376%0.76274%0.744SS**  trans-177151.6147.715.70000112.6
955Q30.8Very low32.1Very low150 Ų150131 Ų13170%0.70175%0.752SS**  cis-173.3142.3-16.5-179.4162.12.600113
956E31.2Very low32Very low142 Ų142129.6 Ų129.666%0.66476%0.761SS**  trans63.4132.9156.9-77.4153-151.700122
957Q28.6Very low31.7Very low171 Ų171125.3 Ų125.380%0.79977%0.766SS**  88147.156.5-73.8-179.320.100114
958C27.6Very low32.4Very low99 Ų99124.5 Ų124.567%0.66976%0.763SS**  cis-154.6142.311.1-117.50000109.6
959V29Very low30.9Very low125 Ų125127.4 Ų127.476%0.75877%0.767SS**  92.9130.478.2169.10000118.1
960M24.4Very low29.3Very low166 Ų166126.3 Ų126.382%0.81877%0.766SS**  trans87.9121.9159.9-87.3-144.6-61.600125.3
961C23.9Very low29.4Very low124 Ų124127.1 Ų127.184%0.83877%0.77SS**  trans44.9131.1136-61.10000124.6
962G24Very low29.4Very low75 Ų75129.8 Ų129.877%0.77378%0.777SS**  trans162.580.7151.500000121.7
963V24Very low28.3Very low131 Ų131130.5 Ų130.579%0.79477%0.773SS**  41107.9124.71700000121.7
964T24.5Very low28.4Very low117 Ų117127.3 Ų127.372%0.71877%0.765SS**  trans71.9151.513864.10000125.4
965I25.5Very low28.2Very low171 Ų171131.3 Ų131.388%0.87777%0.772SS**  trans73.8132.8153.5-69.8151.4000118.3
966G25.6Very low28.3Very low75 Ų75128.4 Ų128.477%0.77377%0.773SS**  trans153.8106.2156.900000116.9
967A23Very low28.2Very low96 Ų96129.2 Ų129.279%0.79378%0.782SS**  trans-118.7173.4147.400000106.8
968P44Very low28.2Very low106 Ų106126 Ų12669%0.68878%0.779SS**  cis-135.5-1612.142.5-23.6000113.6
969Q25.5Very low28.2Very low174 Ų174130.8 Ų130.881%0.81379%0.788SS**  trans69.5109.2150.1-81.3178.6-10200121.8
970A28.2Very low28.2Very low79 Ų79129.1 Ų129.165%0.65379%0.788SS**  86.8158.410700000122.3
971D29.3Very low28.4Very low161 Ų161127.2 Ų127.286%0.86179%0.79SS**  trans79143.9165.3-54-22.7000119.2
972D31.8Very low28.4Very low156 Ų156126.6 Ų126.683%0.83479%0.788SS**  trans-69149.7-170.8-65-84.4000114.5
973D30.3Very low28.4Very low146 Ų146130.5 Ų130.578%0.78179%0.79SS**  -166.6133114.4-123-38.1000115.2
974S31.8Very low28.6Very low100 Ų100136 Ų13670%0.69980%0.796SS**  trans31.1121.2141.6-54.50000124.1
975E29.4Very low28.7Very low194 Ų194137.6 Ų137.691%0.90780%0.797SS**  trans88.3143.5134.7-156.5166-145.700122
976A32.5Very low28.6Very low88 Ų88133.8 Ų133.873%0.72778%0.779SS**  trans83118.7162.700000123
977D28.8Very low28.7Very low159 Ų159135.1 Ų135.185%0.8578%0.777SS**  trans65.1137.4141-82.6-27.1000125.5
978S28.4Very low28.8Very low104 Ų104138.3 Ų138.373%0.72778%0.778SS**  trans75.5115.2146.9-68.30000122.8
979K29.4Very low28Very low199 Ų199143.9 Ų143.987%0.86579%0.786SS**  trans65.7110.8141.6-68.4-175.7174.6179.10121.2
980A28.3Very low28.3Very low91 Ų91141.3 Ų141.375%0.75278%0.784SS**  75.8129.9122.500000121.6
981S27.6Very low28.2Very low125 Ų125144.1 Ų144.187%0.87479%0.788SS**  trans67.790.5147.5-55.40000119.5
982S25.1Very low28.1Very low112 Ų112144.3 Ų144.378%0.78378%0.784SS**  trans-160.8175.7145-160.10000112.6
983L24.3Very low27.9Very low156 Ų156144.4 Ų144.482%0.81778%0.783SS**  trans75.9123.5169.6-51.7-178.3000119
984R26.8Very low27.5Very low247 Ų247144.6 Ų144.693%0.93278%0.779SS**  -165.8106.1126.2-110.5175-172.2172.12.6113.2
985M27.8Very low27.3Very low150 Ų150146.7 Ų146.774%0.73978%0.781SS**  trans-175.1144.4135.5-74.2-127.7106.700104.6
986D23.8Very low28.2Very low91 Ų91143.2 Ų143.249%0.48778%0.775SS.*  cis-138133.42.4-125.2-13.3000107.2K517K517-D986 IonicContact NZ-OD2 2.78Å; K517-D986 PolarHBondContact NZ-OD2 3.05Å
987S26.1Very low28.5Very low104 Ų104144.2 Ų144.273%0.72777%0.774SS**  100175.6101.2-167.60000113.7
988I25.9Very low28.4Very low162 Ų162142.8 Ų142.883%0.83177%0.771SS**  trans84.9137.7172.3-51.1-179.3000118
989R26.3Very low28.7Very low223 Ų223144.8 Ų144.884%0.84277%0.772SS**  trans-74.6-175.1179.7-72.8-176.5-178.8175.8-1.1112.4
990P33Very low28.9Very low120 Ų120145.1 Ų145.178%0.77977%0.768SS**  cis-140.3-170.513.644.8-24.7000117.4
991D26.7Very low29.2Very low138 Ų138148.8 Ų148.874%0.73877%0.77SS**  trans-75.9178.7-176.2-53.3-89.4000116.2
992E27.1Very low29.4Very low165 Ų165153.5 Ų153.577%0.77177%0.768SS**  trans65.7132.7164.4-61.1-166123.700119.5
993I25.9Very low29.5Very low158 Ų158157.8 Ų157.881%0.8177%0.773SS**  -166.3143.9111.8-99.3157.5000111.2
994H23.6Very low29.9Very low151 Ų151154 Ų15470%0.69977%0.772SS**  trans-57.7164.7174.9-55.8-104.8000114.3
995I26.9Very low29.9Very low143 Ų143145.8 Ų145.873%0.73376%0.764SS**  162.8119.5118.4-81.3152.3000110.8
996P47.2Very low30.1Very low122 Ų122149.7 Ų149.779%0.79277%0.77SS**  trans-102.5140.9164.835.7-29.6000112.6
997P38.9Very low30.2Very low109 Ų109151.5 Ų151.571%0.70878%0.779SS**  trans-143.6111.5152.932.8-14.2000116.2
998V28.6Very low30.5Very low128 Ų128151.3 Ų151.378%0.77678%0.778SS**  36.3102121.5-173.30000119.6
999L32.8Very low30.6Very low146 Ų146151 Ų15176%0.76478%0.778SS**  trans47.3117.9132-50175.2000121.7
1000R34.3Very low30.7Very low207 Ų207143.6 Ų143.678%0.78177%0.765SS**  165.8144.193.7-85.6-156.8174.31443.2116
1001H34.9Very low30.6Very low168 Ų168144.2 Ų144.278%0.77877%0.766SS**  trans71.2148.9161.5-59.5-49.1000117.4
1002R31.6Very low30.7Very low223 Ų223144.6 Ų144.684%0.84277%0.769SS**  cis-157.1140.613.3-146.4-178.2-178.1170.51.9113.5
1003K26.4Very low31.1Very low202 Ų202145.7 Ų145.788%0.87877%0.771SS**  trans69.4128.6147.9-157.8-178.1-173.8-171.60118.7
1004G32.7Very low32.5Very low78 Ų78142.9 Ų142.980%0.80476%0.762SS**  cis134.1113.7-20.500000117.1
1005G27.5Very low32.8Very low74 Ų74146.6 Ų146.676%0.76377%0.77SS**  trans140.9119.1146.100000121
1006R31.1Very low33Very low232 Ų232143.8 Ų143.888%0.87577%0.768SS**  trans67.7147.7145-71.2-166.8-167.5-79.91.1119.2
1007L27.7Very low32.5Very low128 Ų128141.7 Ų141.767%0.6776%0.762SS**  cis-165.1162.4-7.9-161.179.9000109.4
1008S30.7Very low32.4Very low100 Ų100143 Ų14370%0.69977%0.77SS**  trans61.9144.5148.246.90000120.6
1009D28.5Very low32.9Very low155 Ų155147.3 Ų147.383%0.82977%0.773SS**  cis-166.8168.1-14.6-161.48.3000110.8
1010A27.9Very low33.5Very low69 Ų69151.5 Ų151.557%0.5778%0.778SS**  trans47.8106.6150.900000122.8
1011T32.2Very low33.8Very low132 Ų132145.8 Ų145.881%0.8178%0.776SS**  72.5146.1118-460000122.1
1012D27.9Very low34.3Very low147 Ų147145.9 Ų145.979%0.78678%0.776SS**  trans88.5153.3165.8-94.9-46.5000121.3
1013K35.6Very low35Very low188 Ų188138.3 Ų138.382%0.81776%0.761SS**  trans-83.8-173.8-165.3-45.1172.2178.4173.90112.8
1014P56.5Low36Very low98 Ų98136.1 Ų136.164%0.63675%0.754SS**  cis-134.6179.4-13.839.1-21.9000115.2
1015R28.9Very low36.7Very low229 Ų229138.1 Ų138.186%0.86475%0.746SS**  trans129.4162.3152.3-76.9177.5178.383.9-1.2114.7
1016A31.1Very low37.9Very low84 Ų84137.7 Ų137.769%0.69473%0.732SS**  cis-179.8142.1-35.400000112
1017A37.2Very low38.9Very low79 Ų79131.7 Ų131.765%0.65372%0.717SS**  trans66.6143.6164.300000117.8R1019A1017-R1019 HydrophobicContact CB-CG 4.35Å
1018P36.8Very low40.1Very low137 Ų137129.6 Ų129.689%0.8971%0.706SS**  -101.8-171.279.632.7-37.7000114.7
1019R39.5Very low41.6Very low217 Ų217133 Ų13382%0.81970%0.704SS**  trans-146.4147.5-170.4-75.8178.6173156.8-4.5113.5A1017A1017-R1019 HydrophobicContact CB-CG 4.35Å
1020R44.8Very low42.7Very low234 Ų234133.3 Ų133.388%0.88369%0.693SS**  trans62108.9156.1-72.4-179.9175.6165.3-4.9117.7
1021A41.4Very low43.9Very low88 Ų88138.7 Ų138.773%0.72770%0.699SS**SBendtrans-141.4-41.7152.200000110.8A1023A1021-A1023 VanDerWaalsContact C-N 3.26Å; A1021-A1023 PolarHBondContact O-N 2.97Å
1022E44.8Very low45.4Very low170 Ų170138.8 Ų138.879%0.79469%0.69SS**THydrogen-bonded Turntrans-7510.5-167.7-61.6163.1-172.500117
1023A45.6Very low47.3Very low63 Ų63134.2 Ų134.252%0.52167%0.666SS.*THydrogen-bonded Turntrans-85-20.7-174.700000114.1A1021A1021-A1023 VanDerWaalsContact C-N 3.26Å; A1021-A1023 PolarHBondContact O-N 2.97Å
1024E47Very low49.5Very low156 Ų156132.2 Ų132.273%0.72965%0.653SS**Hα-helixtrans-97.3-32.3-169-59.3-169.517400112.7S1026 D1027 L1028E1024-S1026 VanDerWaalsContact C-N 3.29Å; E1024-S1026 PolarHBondContact O-N 2.96Å; E1024-D1027 PolarHBondContact O-N 3.3Å; E1024-L1028 PolarHBondContact O-N 3.24Å
1025D48.6Very low50.7Low120 Ų120133.3 Ų133.364%0.64265%0.65SS**Hα-helixtrans-63.7-33.2174.2-64.4-39.3000112.7D1027 L1028 W1029D1025-D1027 PolarHBondContact O-N 2.98Å; D1025-L1028 PolarHBondContact O-N 2.71Å; D1025-W1029 PolarHBondContact O-N 3.19Å
1026S51.6Low53.1Low66 Ų66127.6 Ų127.646%0.46264%0.636SS.*Hα-helixtrans-61.9-43.2174.7-68.40000112E1024 L1028 W1029 W1030E1024-S1026 VanDerWaalsContact C-N 3.29Å; E1024-S1026 PolarHBondContact O-N 2.96Å; S1026-L1028 VanDerWaalsContact C-N 3.29Å; S1026-L1028 PolarHBondContact O-N 2.82Å; S1026-W1029 PolarHBondContact O-N 2.83Å; S1026-W1030 PolarHBondContact O-N 2.83Å
1027D52.5Low55.1Low106 Ų106125.2 Ų125.257%0.56761%0.614SS**Hα-helixtrans-76.8-13.3-177.6-91.99.9000113.4E1024 D1025 R1031E1024-D1027 PolarHBondContact O-N 3.3Å; D1025-D1027 PolarHBondContact O-N 2.98Å; D1027-R1031 WeakPolarHBondContact O-CB 3.34Å
1028L54.1Low57.3Low83 Ų83125 Ų12544%0.43560%0.604SS.*Hα-helixtrans-76.8-48.9166-74.2166.9000110.8E1024 D1025 S1026 W1030 R1031 E1032E1024-L1028 PolarHBondContact O-N 3.24Å; D1025-L1028 PolarHBondContact O-N 2.71Å; S1026-L1028 VanDerWaalsContact C-N 3.29Å; S1026-L1028 PolarHBondContact O-N 2.82Å; L1028-W1030 VanDerWaalsContact C-N 3.34Å; L1028-W1030 PolarHBondContact O-N 2.81Å; L1028-R1031 WeakPolarHBondContact O-CA 3.48Å; L1028-R1031 VanDerWaalsContact O-CB 3.32Å; L1028-R1031 WeakPolarHBondContact O-CB 3.23Å; L1028-R1031 PolarHBondContact O-N 3.19Å; L1028-E1032 PolarHBondContact O-N 2.89Å
1029W61.3Low59.6Low172 Ų172123.5 Ų123.565%0.65259%0.588SS**Hα-helixtrans-61.7-38.7-174.5-147.367.5000113.4D1025 S1026 R1031 N1033D1025-W1029 PolarHBondContact O-N 3.19Å; S1026-W1029 PolarHBondContact O-N 2.83Å; W1029-R1031 VanDerWaalsContact C-N 3.32Å; W1029-N1033 WeakPolarHBondContact O-CB 3.47Å; W1029-N1033 PolarHBondContact O-N 3.45Å; W1029-N1033 VanDerWaalsContact O-N 3.11Å; W1029-N1033 PolarHBondContact O-ND2 3.27Å
1030W51.8Low61.8Low161 Ų161118 Ų11861%0.6157%0.574SS**Hα-helixtrans-69.2-26.6173.3-65.4117.4000113.9S1026 L1028 W1034 C1037S1026-W1030 PolarHBondContact O-N 2.83Å; L1028-W1030 VanDerWaalsContact C-N 3.34Å; L1028-W1030 PolarHBondContact O-N 2.81Å; W1030-W1034 PolarHBondContact O-N 2.83Å; W1030-C1037 VanDerWaalsContact CE3-SG 3.56Å
1031R52.5Low63.7Low183 Ų183112 Ų11269%0.69156%0.559SS**Hα-helixtrans-78.7-37-179.5-174.7-176.5-57.4-125.9-1.4111.7D1027 L1028 W1029D1027-R1031 WeakPolarHBondContact O-CB 3.34Å; L1028-R1031 WeakPolarHBondContact O-CA 3.48Å; L1028-R1031 VanDerWaalsContact O-CB 3.32Å; L1028-R1031 WeakPolarHBondContact O-CB 3.23Å; L1028-R1031 PolarHBondContact O-N 3.19Å; W1029-R1031 VanDerWaalsContact C-N 3.32Å
1032E63.6Low65.9Low134 Ų134113 Ų11363%0.62655%0.552SS**Hα-helixtrans-78.5-40.1179.2-69.7163.8-179.400111.2L1028 W1034L1028-E1032 PolarHBondContact O-N 2.89Å; E1032-W1034 PolarHBondContact O-N 3.4Å
1033N68.8Low68Low50 Ų50112.2 Ų112.227%0.26754%0.542SS..SBendtrans-96.623.5-178-64.4-70.8000114.6W1029 E1035 L1036 C1037W1029-N1033 WeakPolarHBondContact O-CB 3.47Å; W1029-N1033 PolarHBondContact O-N 3.45Å; W1029-N1033 VanDerWaalsContact O-N 3.11Å; W1029-N1033 PolarHBondContact O-ND2 3.27Å; N1033-E1035 PolarHBondContact O-N 2.83Å; N1033-L1036 HydrophobicContact CB-CD1 4.32Å; N1033-L1036 PolarHBondContact O-N 2.82Å; N1033-L1036 VanDerWaalsContact O-N 3.11Å; N1033-C1037 PolarHBondContact O-N 2.71Å; N1033-C1037 VanDerWaalsContact O-N 3.1Å; N1033-C1037 PolarHBondContact O-SG 3.38Å
1034W81.1Confident69.9Low146 Ų146113.2 Ų113.255%0.55354%0.538SS*.Hα-helixtrans-59.1-33-177.478.3-80.4000112.9W1030 E1032 C1037 V1038W1030-W1034 PolarHBondContact O-N 2.83Å; E1032-W1034 PolarHBondContact O-N 3.4Å; W1034-C1037 WeakPolarHBondContact O-CB 3.34Å; W1034-C1037 PolarHBondContact O-N 3.48Å; W1034-V1038 HydrophobicContact CE3-CG2 3.91Å; W1034-V1038 HydrophobicContact CZ3-CG2 4.12Å; W1034-V1038 WeakPolarHBondContact O-CG2 3.34Å; W1034-V1038 PolarHBondContact O-N 2.8Å
1035E82.4Confident71.6Confident122 Ų122110.7 Ų110.757%0.5753%0.529SS*.Hα-helixtrans-66.6-39.9176.6-61.4-167.1177.600112.3N1033 C1037 V1038 L1039N1033-E1035 PolarHBondContact O-N 2.83Å; E1035-C1037 VanDerWaalsContact C-N 3.3Å; E1035-C1037 PolarHBondContact O-N 3.19Å; E1035-V1038 PolarHBondContact O-N 3.48Å; E1035-L1039 WeakPolarHBondContact O-CB 3.34Å; E1035-L1039 WeakPolarHBondContact O-CG 3.45Å; E1035-L1039 PolarHBondContact O-N 3.38Å
1036L78Confident73.3Confident108 Ų108110.6 Ų110.657%0.56553%0.528SS*.Hα-helixtrans-65.3-36.2173.3-64.8178.4000111.1N1033 L1039 L1040N1033-L1036 HydrophobicContact CB-CD1 4.32Å; N1033-L1036 PolarHBondContact O-N 2.82Å; N1033-L1036 VanDerWaalsContact O-N 3.11Å; L1036-L1039 HydrophobicContact CD2-CD1 4.49Å; L1036-L1039 PolarHBondContact O-N 2.85Å; L1036-L1040 VanDerWaalsContact O-CB 3.3Å; L1036-L1040 WeakPolarHBondContact O-CB 3.21Å; L1036-L1040 PolarHBondContact O-N 2.83Å
1037C73.3Confident74.8Confident34 Ų34113.5 Ų113.523%0.2353%0.529CS..Hα-helixtrans-66.6-39.6174.6-58.70000111.9W1030 N1033 W1034 E1035 L1041W1030-C1037 VanDerWaalsContact CE3-SG 3.56Å; N1033-C1037 PolarHBondContact O-N 2.71Å; N1033-C1037 VanDerWaalsContact O-N 3.1Å; N1033-C1037 PolarHBondContact O-SG 3.38Å; W1034-C1037 WeakPolarHBondContact O-CB 3.34Å; W1034-C1037 PolarHBondContact O-N 3.48Å; E1035-C1037 VanDerWaalsContact C-N 3.3Å; E1035-C1037 PolarHBondContact O-N 3.19Å; C1037-L1041 WeakPolarHBondContact O-CB 3.28Å; C1037-L1041 WeakPolarHBondContact O-CG 3.3Å; C1037-L1041 PolarHBondContact O-N 3.49Å
1038V84.9Confident75.9Confident75 Ų75110 Ų11046%0.45551%0.514SS..Hα-helixtrans-67.5-40.5173.7169.60000111.2W1034 E1035 L1041 L1042W1034-V1038 HydrophobicContact CE3-CG2 3.91Å; W1034-V1038 HydrophobicContact CZ3-CG2 4.12Å; W1034-V1038 WeakPolarHBondContact O-CG2 3.34Å; W1034-V1038 PolarHBondContact O-N 2.8Å; E1035-V1038 PolarHBondContact O-N 3.48Å; V1038-L1041 PolarHBondContact O-N 3.14Å; V1038-L1042 VanDerWaalsContact O-CB 3.25Å; V1038-L1042 WeakPolarHBondContact O-CB 3.26Å; V1038-L1042 PolarHBondContact O-N 3.5Å
1039L84.6Confident76.9Confident105 Ų105113.6 Ų113.655%0.5553%0.526SS..Hα-helixtrans-65.7-40.6174.9-74.5168.7000112.1E1035 L1036 L1042 W1043E1035-L1039 WeakPolarHBondContact O-CB 3.34Å; E1035-L1039 WeakPolarHBondContact O-CG 3.45Å; E1035-L1039 PolarHBondContact O-N 3.38Å; L1036-L1039 HydrophobicContact CD2-CD1 4.49Å; L1036-L1039 PolarHBondContact O-N 2.85Å; L1039-L1042 PolarHBondContact O-N 3.27Å; L1039-W1043 VanDerWaalsContact O-CB 3.26Å; L1039-W1043 WeakPolarHBondContact O-CB 3.25Å; L1039-W1043 PolarHBondContact O-N 2.76Å
1040L85.6Confident77.5Confident101 Ų101111.5 Ų111.553%0.52953%0.525SS..Hα-helixtrans-64.6-43.1174-174.769000111.3L1036 W1043 L1044L1036-L1040 VanDerWaalsContact O-CB 3.3Å; L1036-L1040 WeakPolarHBondContact O-CB 3.21Å; L1036-L1040 PolarHBondContact O-N 2.83Å; L1040-W1043 PolarHBondContact O-N 3.13Å; L1040-L1044 HydrophobicContact CG-CD1 4.14Å; L1040-L1044 VanDerWaalsContact O-CB 3.3Å; L1040-L1044 WeakPolarHBondContact O-CB 3.27Å; L1040-L1044 VanDerWaalsContact O-CG 3.28Å; L1040-L1044 WeakPolarHBondContact O-CG 3.49Å; L1040-L1044 PolarHBondContact O-N 2.86Å
1041L84.6Confident78.3Confident109 Ų109105.9 Ų105.957%0.57151%0.508SS*.Hα-helixtrans-65.3-39174.2-85.3165.4000112.5C1037 V1038 L1045C1037-L1041 WeakPolarHBondContact O-CB 3.28Å; C1037-L1041 WeakPolarHBondContact O-CG 3.3Å; C1037-L1041 PolarHBondContact O-N 3.49Å; V1038-L1041 PolarHBondContact O-N 3.14Å; L1041-L1045 VanDerWaalsContact O-CB 3.27Å; L1041-L1045 WeakPolarHBondContact O-CB 3.48Å; L1041-L1045 WeakPolarHBondContact O-CG 3.14Å; L1041-L1045 PolarHBondContact O-N 3.11Å
1042L86.8Confident78.8Confident109 Ų109102.1 Ų102.157%0.57150%0.501SS*.Hα-helixtrans-66.3-41.9175.4-166.983.1000110.8V1038 L1039 L1045 L1046V1038-L1042 VanDerWaalsContact O-CB 3.25Å; V1038-L1042 WeakPolarHBondContact O-CB 3.26Å; V1038-L1042 PolarHBondContact O-N 3.5Å; L1039-L1042 PolarHBondContact O-N 3.27Å; L1042-L1045 PolarHBondContact O-N 3.1Å; L1042-L1046 WeakPolarHBondContact O-CB 3.49Å; L1042-L1046 PolarHBondContact O-N 3.47Å
1043W89.4Confident78.8Confident153 Ų153100.6 Ų100.658%0.5850%0.503SS*.Hα-helixtrans-67-43.9176.3-176.486.5000111.7L1039 L1040 L1045 L1046 Y1047L1039-W1043 VanDerWaalsContact O-CB 3.26Å; L1039-W1043 WeakPolarHBondContact O-CB 3.25Å; L1039-W1043 PolarHBondContact O-N 2.76Å; L1040-W1043 PolarHBondContact O-N 3.13Å; W1043-L1045 VanDerWaalsContact C-N 3.33Å; W1043-L1045 PolarHBondContact O-N 3.25Å; W1043-L1046 PolarHBondContact O-N 3.39Å; W1043-Y1047 HydrophobicContact CH2-CD2 4.42Å; W1043-Y1047 WeakPolarHBondContact O-CB 3.42Å; W1043-Y1047 PolarHBondContact O-N 3.25Å
1044L85Confident78.3Confident85 Ų85106 Ų10645%0.44553%0.527SS..Hα-helixtrans-63.4-37.1172.6-76.4169.9000112L1040 S1048L1040-L1044 HydrophobicContact CG-CD1 4.14Å; L1040-L1044 VanDerWaalsContact O-CB 3.3Å; L1040-L1044 WeakPolarHBondContact O-CB 3.27Å; L1040-L1044 VanDerWaalsContact O-CG 3.28Å; L1040-L1044 WeakPolarHBondContact O-CG 3.49Å; L1040-L1044 PolarHBondContact O-N 2.86Å; L1044-S1048 VanDerWaalsContact O-CB 3.24Å; L1044-S1048 WeakPolarHBondContact O-CB 3.3Å; L1044-S1048 PolarHBondContact O-N 3.4Å; L1044-S1048 PolarHBondContact O-OG 3.28Å
1045L83.6Confident77.2Confident103 Ų103102.9 Ų102.954%0.53952%0.519SS..Hα-helixtrans-65.3-47172-87.9164.5000111.3L1041 L1042 W1043 Y1047 S1048 F1049L1041-L1045 VanDerWaalsContact O-CB 3.27Å; L1041-L1045 WeakPolarHBondContact O-CB 3.48Å; L1041-L1045 WeakPolarHBondContact O-CG 3.14Å; L1041-L1045 PolarHBondContact O-N 3.11Å; L1042-L1045 PolarHBondContact O-N 3.1Å; W1043-L1045 VanDerWaalsContact C-N 3.33Å; W1043-L1045 PolarHBondContact O-N 3.25Å; L1045-Y1047 PolarHBondContact O-N 3.22Å; L1045-S1048 WeakPolarHBondContact CA-OG 3.24Å; L1045-S1048 PolarHBondContact O-N 2.84Å; L1045-S1048 PolarHBondContact O-OG 2.79Å; L1045-F1049 WeakPolarHBondContact O-CB 3.27Å; L1045-F1049 PolarHBondContact O-N 2.89Å
1046L83.2Confident76.1Confident117 Ų117101.1 Ų101.161%0.61351%0.514SS*.Hα-helixtrans-62.1-44.4178.3-153.381.9000111.1L1042 W1043 F1049 M1050L1042-L1046 WeakPolarHBondContact O-CB 3.49Å; L1042-L1046 PolarHBondContact O-N 3.47Å; W1043-L1046 PolarHBondContact O-N 3.39Å; L1046-F1049 PolarHBondContact O-N 3.11Å; L1046-M1050 WeakPolarHBondContact O-CB 3.34Å; L1046-M1050 VanDerWaalsContact O-CG 3.23Å; L1046-M1050 WeakPolarHBondContact O-CG 3.25Å; L1046-M1050 PolarHBondContact O-N 2.72Å
1047Y83.4Confident75.2Confident127 Ų127102.6 Ų102.650%0.49852%0.521SS..Hα-helixtrans-59.5-46.7172.5-173.7-90.9000110.7W1043 L1045 F1049 M1050 V1051W1043-Y1047 HydrophobicContact CH2-CD2 4.42Å; W1043-Y1047 WeakPolarHBondContact O-CB 3.42Å; W1043-Y1047 PolarHBondContact O-N 3.25Å; L1045-Y1047 PolarHBondContact O-N 3.22Å; Y1047-F1049 VanDerWaalsContact C-N 3.33Å; Y1047-F1049 PolarHBondContact O-N 2.9Å; Y1047-M1050 PolarHBondContact O-N 3.34Å; Y1047-V1051 HydrophobicContact CD1-CB 4.39Å; Y1047-V1051 HydrophobicContact CD1-CG2 4.35Å; Y1047-V1051 HydrophobicContact CD2-CG2 3.88Å; Y1047-V1051 HydrophobicContact CE1-CB 4.21Å; Y1047-V1051 HydrophobicContact CE1-CG1 4.29Å; Y1047-V1051 HydrophobicContact CE1-CG2 4.28Å; Y1047-V1051 HydrophobicContact CE2-CG2 3.81Å; Y1047-V1051 HydrophobicContact CG-CG2 4.15Å; Y1047-V1051 WeakPolarHBondContact O-CA 3.43Å; Y1047-V1051 WeakPolarHBondContact O-CB 3.47Å; Y1047-V1051 WeakPolarHBondContact O-CG2 3.41Å; Y1047-V1051 PolarHBondContact O-N 3.39Å
1048S75.7Confident74.7Confident34 Ų34108.6 Ų108.624%0.23854%0.543CS..Hα-helixtrans-60.3-41.6176.280.90000112L1044 L1045 L1052L1044-S1048 VanDerWaalsContact O-CB 3.24Å; L1044-S1048 WeakPolarHBondContact O-CB 3.3Å; L1044-S1048 PolarHBondContact O-N 3.4Å; L1044-S1048 PolarHBondContact O-OG 3.28Å; L1045-S1048 WeakPolarHBondContact CA-OG 3.24Å; L1045-S1048 PolarHBondContact O-N 2.84Å; L1045-S1048 PolarHBondContact O-OG 2.79Å; S1048-L1052 WeakPolarHBondContact O-CB 3.22Å; S1048-L1052 VanDerWaalsContact O-CG 3.27Å; S1048-L1052 WeakPolarHBondContact O-CG 3.41Å; S1048-L1052 PolarHBondContact O-N 3.17Å
1049F75.1Confident73.4Confident158 Ų158107.9 Ų107.969%0.69354%0.539SS*.Hα-helixtrans-77.4-22.5-177.6-123.3-85.5000113.9L1045 L1046 Y1047 P1053L1045-F1049 WeakPolarHBondContact O-CB 3.27Å; L1045-F1049 PolarHBondContact O-N 2.89Å; L1046-F1049 PolarHBondContact O-N 3.11Å; Y1047-F1049 VanDerWaalsContact C-N 3.33Å; Y1047-F1049 PolarHBondContact O-N 2.9Å; F1049-P1053 WeakPolarHBondContact O-CD 3.41Å; F1049-P1053 WeakPolarHBondContact O-CG 3.44Å
1050M73.6Confident72Confident128 Ų128106.5 Ų106.563%0.63153%0.532SS*.Hα-helixtrans-95.9-30.3177.3-65.8-73.693.900113.1L1046 Y1047L1046-M1050 WeakPolarHBondContact O-CB 3.34Å; L1046-M1050 VanDerWaalsContact O-CG 3.23Å; L1046-M1050 WeakPolarHBondContact O-CG 3.25Å; L1046-M1050 PolarHBondContact O-N 2.72Å; Y1047-M1050 PolarHBondContact O-N 3.34Å
1051V68.8Low70.4Confident43 Ų43105.6 Ų105.626%0.26153%0.532SS..Hα-helixtrans-104.8-36.6-172.4-1740000112.9Y1047 Q1054 M1055Y1047-V1051 HydrophobicContact CD1-CB 4.39Å; Y1047-V1051 HydrophobicContact CD1-CG2 4.35Å; Y1047-V1051 HydrophobicContact CD2-CG2 3.88Å; Y1047-V1051 HydrophobicContact CE1-CB 4.21Å; Y1047-V1051 HydrophobicContact CE1-CG1 4.29Å; Y1047-V1051 HydrophobicContact CE1-CG2 4.28Å; Y1047-V1051 HydrophobicContact CE2-CG2 3.81Å; Y1047-V1051 HydrophobicContact CG-CG2 4.15Å; Y1047-V1051 WeakPolarHBondContact O-CA 3.43Å; Y1047-V1051 WeakPolarHBondContact O-CB 3.47Å; Y1047-V1051 WeakPolarHBondContact O-CG2 3.41Å; Y1047-V1051 PolarHBondContact O-N 3.39Å; V1051-Q1054 WeakPolarHBondContact O-CA 3.4Å; V1051-Q1054 WeakPolarHBondContact O-CB 3.32Å; V1051-Q1054 PolarHBondContact O-N 3.11Å; V1051-M1055 HydrophobicContact CG1-CG 4.29Å; V1051-M1055 HydrophobicContact CG1-SD 4.06Å; V1051-M1055 WeakPolarHBondContact O-CG 3.47Å; V1051-M1055 PolarHBondContact O-N 3.41Å
1052L63.1Low68.9Low103 Ų103104 Ų10454%0.53953%0.53SS..G310 helixtrans-61-36.7176.1-63.4173000113.3S1048 Q1054 M1055S1048-L1052 WeakPolarHBondContact O-CB 3.22Å; S1048-L1052 VanDerWaalsContact O-CG 3.27Å; S1048-L1052 WeakPolarHBondContact O-CG 3.41Å; S1048-L1052 PolarHBondContact O-N 3.17Å; L1052-Q1054 PolarHBondContact O-N 3.36Å; L1052-M1055 PolarHBondContact O-N 3.29Å; L1052-M1055 VanDerWaalsContact O-N 3.15Å
1053P63.1Low67.5Low103 Ų103104.8 Ų104.867%0.66953%0.534SS*.G310 helixtrans-65.9-17.1173.4-23.135.9000114.4F1049F1049-P1053 WeakPolarHBondContact O-CD 3.41Å; F1049-P1053 WeakPolarHBondContact O-CG 3.44Å
1054Q58.2Low65.7Low164 Ų164104 Ų10477%0.76654%0.541SS*.G310 helixtrans-91.5-10.5176-62.7-77-6.200112.6V1051 L1052V1051-Q1054 WeakPolarHBondContact O-CA 3.4Å; V1051-Q1054 WeakPolarHBondContact O-CB 3.32Å; V1051-Q1054 PolarHBondContact O-N 3.11Å; L1052-Q1054 PolarHBondContact O-N 3.36Å
1055M59.3Low64.4Low79 Ų79107 Ų10739%0.38956%0.557SS.*SBendtrans-101.8110.5-177.4-68.6-17773.800111.5V1051 L1052 L1057V1051-M1055 HydrophobicContact CG1-CG 4.29Å; V1051-M1055 HydrophobicContact CG1-SD 4.06Å; V1051-M1055 WeakPolarHBondContact O-CG 3.47Å; V1051-M1055 PolarHBondContact O-N 3.41Å; L1052-M1055 PolarHBondContact O-N 3.29Å; L1052-M1055 VanDerWaalsContact O-N 3.15Å; M1055-L1057 PolarHBondContact O-N 3.49Å
1056D58.5Low62.2Low85 Ų85109.5 Ų109.546%0.45557%0.571SS.*  trans-63.8111.5172.5-173.3-5.4000109.4K1058 T1059D1056-K1058 PolarHBondContact O-N 3.23Å; D1056-K1058 WeakPolarHBondContact OD1-CG 3.44Å; D1056-K1058 PolarHBondContact OD1-N 3.38Å; D1056-K1058 IonicContact OD1-NZ 3.66Å; D1056-K1058 PolarHBondContact OD1-NZ 3.42Å; D1056-K1058 IonicContact OD2-NZ 3.85Å; D1056-K1058 PolarHBondContact OD2-NZ 2.78Å; D1056-T1059 WeakPolarHBondContact O-CB 3.47Å; D1056-T1059 PolarHBondContact O-N 3.5Å; D1056-T1059 PolarHBondContact O-OG1 3.32Å
1057L59.7Low60.3Low139 Ų139116.8 Ų116.873%0.72859%0.59SS**THydrogen-bonded Turntrans-52.2-17.2-176.1-76.4155.6000114.4M1055 T1059 L1060M1055-L1057 PolarHBondContact O-N 3.49Å; L1057-T1059 VanDerWaalsContact C-N 3.3Å; L1057-T1059 PolarHBondContact O-N 3.37Å; L1057-L1060 HydrophobicContact CD2-CD1 4.45Å
1058K61.8Low59.1Low160 Ų160116.3 Ų116.370%0.69659%0.594SS**THydrogen-bonded Turntrans-71.3-19174-58-178.6-148.575.70114.2D1056 P1061D1056-K1058 PolarHBondContact O-N 3.23Å; D1056-K1058 WeakPolarHBondContact OD1-CG 3.44Å; D1056-K1058 PolarHBondContact OD1-N 3.38Å; D1056-K1058 IonicContact OD1-NZ 3.66Å; D1056-K1058 PolarHBondContact OD1-NZ 3.42Å; D1056-K1058 IonicContact OD2-NZ 3.85Å; D1056-K1058 PolarHBondContact OD2-NZ 2.78Å; K1058-P1061 WeakPolarHBondContact O-CD 3.15Å
1059T58.6Low58.3Low60 Ų60120.6 Ų120.637%0.36861%0.613SS.*SBendtrans-86.5-16.4-179.661.30000113.5D1056 L1057 S1062 L1063D1056-T1059 WeakPolarHBondContact O-CB 3.47Å; D1056-T1059 PolarHBondContact O-N 3.5Å; D1056-T1059 PolarHBondContact O-OG1 3.32Å; L1057-T1059 VanDerWaalsContact C-N 3.3Å; L1057-T1059 PolarHBondContact O-N 3.37Å; T1059-S1062 PolarHBondContact O-N 3.04Å; T1059-S1062 PolarHBondContact O-OG 3.43Å; T1059-L1063 PolarHBondContact O-N 3.01Å
1060L54.1Low57.3Low77 Ų77118.5 Ų118.540%0.40361%0.609SS.*Hα-helixtrans-64.2-38.8-174.9-152.2154.9000113.1L1057 S1062 L1063 L1064L1057-L1060 HydrophobicContact CD2-CD1 4.45Å; L1060-S1062 VanDerWaalsContact C-N 3.34Å; L1060-S1062 PolarHBondContact O-N 2.93Å; L1060-L1063 PolarHBondContact O-N 3.29Å; L1060-L1064 HydrophobicContact CD2-CD1 3.69Å; L1060-L1064 PolarHBondContact O-N 3.21Å
1061P53.8Low56.4Low81 Ų81117.9 Ų117.953%0.52661%0.607SS.*Hα-helixtrans-64.2-33173.6-22.635.2000114K1058K1058-P1061 WeakPolarHBondContact O-CD 3.15Å
1062S53Low55.6Low76 Ų76122.6 Ų122.653%0.53163%0.629SS.*Hα-helixtrans-75.3-29.4179.830.70000113.6T1059 L1060T1059-S1062 PolarHBondContact O-N 3.04Å; T1059-S1062 PolarHBondContact O-OG 3.43Å; L1060-S1062 VanDerWaalsContact C-N 3.34Å; L1060-S1062 PolarHBondContact O-N 2.93Å
1063L55.7Low55.1Low125 Ų125123.9 Ų123.965%0.65464%0.635SS**Hα-helixtrans-77.7-22.4177.2-80.1164.4000113.6T1059 L1060T1059-L1063 PolarHBondContact O-N 3.01Å; L1060-L1063 PolarHBondContact O-N 3.29Å
1064L52.8Low54.5Low138 Ų138125.4 Ų125.472%0.72363%0.633SS**THydrogen-bonded Turntrans-97.60.1-179.9-70.8175.3000114.5L1060L1060-L1064 HydrophobicContact CD2-CD1 3.69Å; L1060-L1064 PolarHBondContact O-N 3.21Å
1065L57.2Low54.2Low147 Ų147122.5 Ų122.577%0.7762%0.622SS**THydrogen-bonded Turntrans-127.4-4.3-174.4-82.2166.2000115.7
1066N38.3Very low53.8Low156 Ų156126.1 Ų126.183%0.83464%0.642SS**  trans-82.6138161.9-99-3.7000109.6
1067R42.3Very low53.4Low269 Ų269129.8 Ų129.8100%1.01566%0.659SS**  trans-128.70-166.3177.9-173.2-178.9-156.61.6111.3

Retrieved 1,067 of 1,067 residues in 371.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).