A0A087XK89_POEFO Loading...

Sperm-associated antigen 6

Important for structural integrity of the central apparatus in the sperm tail and for flagellar motility.

AlphaFold DB , UniProt , Accession A0A087XK89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 508 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.3Low84.3Confident203 Ų203116.6 Ų116.6100%157%0.567SS**  0135.20-67.2-161.3-135.300108.1
2S77.5Confident85.1Confident67 Ų67118.4 Ų118.447%0.46957%0.574SS.*  trans-66.5142179.671.40000109.9R4 L5 I6S2-R4 PolarHBondContact O-N 3.48Å; S2-L5 WeakPolarHBondContact O-CB 3.42Å; S2-L5 PolarHBondContact O-N 2.89Å; S2-I6 PolarHBondContact O-N 3.44Å
3H79.6Confident85.8Confident148 Ų148120.5 Ų120.569%0.68557%0.573SS**Hα-helixtrans-46-33.9176.8179.8-100.4000112.9I6 I7H3-I6 PolarHBondContact O-N 3.29Å; H3-I7 WeakPolarHBondContact CE1-CD1 3.45Å; H3-I7 PolarHBondContact O-N 3.47Å
4R83.6Confident86.3Confident184 Ų184117.9 Ų117.969%0.69456%0.561SS**Hα-helixtrans-62.9-41.5175.1-172.7176.7179.3177.91113.9S2 I6 I7 Q8S2-R4 PolarHBondContact O-N 3.48Å; R4-I6 VanDerWaalsContact C-N 3.32Å; R4-I7 PolarHBondContact O-N 3.28Å; R4-Q8 WeakPolarHBondContact O-CB 3.43Å; R4-Q8 VanDerWaalsContact O-CG 3.27Å; R4-Q8 WeakPolarHBondContact O-CG 3.38Å; R4-Q8 PolarHBondContact O-N 3.29Å
5L87.9Confident86.9Confident88 Ų88120 Ų12046%0.46157%0.567SS.*Hα-helixtrans-66.6-36.3178.2-75.3164.2000111.4S2 Q8 V9S2-L5 WeakPolarHBondContact O-CB 3.42Å; S2-L5 PolarHBondContact O-N 2.89Å; L5-Q8 PolarHBondContact O-N 2.84Å; L5-V9 WeakPolarHBondContact O-CG2 2.92Å; L5-V9 PolarHBondContact O-N 3.05Å
6I86.7Confident87.4Confident84 Ų84116.3 Ų116.343%0.43156%0.558SS.*Hα-helixtrans-64.9-49.9177.5-61.4174.7000109.8S2 H3 R4 Q8 V9 F10S2-I6 PolarHBondContact O-N 3.44Å; H3-I6 PolarHBondContact O-N 3.29Å; R4-I6 VanDerWaalsContact C-N 3.32Å; I6-Q8 VanDerWaalsContact C-N 3.32Å; I6-Q8 PolarHBondContact O-N 3.06Å; I6-V9 PolarHBondContact O-N 3.15Å; I6-F10 HydrophobicContact CG2-CD2 4.3Å; I6-F10 HydrophobicContact CG2-CE2 3.92Å; I6-F10 VanDerWaalsContact O-CD2 3.26Å; I6-F10 WeakPolarHBondContact O-CD2 3.41Å
7I88.4Confident87.9Confident71 Ų71111.1 Ų111.136%0.36453%0.531SS..Hα-helixtrans-59.1-43.1177.9-68.5173000111.4H3 R4 V9 F10 E11H3-I7 WeakPolarHBondContact CE1-CD1 3.45Å; H3-I7 PolarHBondContact O-N 3.47Å; R4-I7 PolarHBondContact O-N 3.28Å; I7-V9 VanDerWaalsContact C-N 3.26Å; I7-V9 PolarHBondContact O-N 3.07Å; I7-F10 PolarHBondContact O-N 3.19Å; I7-F10 VanDerWaalsContact O-N 3.12Å; I7-E11 HydrophobicContact CG2-CG 4.1Å; I7-E11 PolarHBondContact O-N 2.85Å
8Q91.6Very high88.3Confident80 Ų80107.3 Ų107.337%0.37451%0.514SS..Hα-helixtrans-58.7-35.2179.4-79.5176.8-2100113.3R4 L5 I6 Q12R4-Q8 WeakPolarHBondContact O-CB 3.43Å; R4-Q8 VanDerWaalsContact O-CG 3.27Å; R4-Q8 WeakPolarHBondContact O-CG 3.38Å; R4-Q8 PolarHBondContact O-N 3.29Å; L5-Q8 PolarHBondContact O-N 2.84Å; I6-Q8 VanDerWaalsContact C-N 3.32Å; I6-Q8 PolarHBondContact O-N 3.06Å; Q8-Q12 VanDerWaalsContact O-CB 3.3Å; Q8-Q12 WeakPolarHBondContact O-CB 3.37Å; Q8-Q12 PolarHBondContact O-N 3.03Å
9V91.2Very high88.7Confident96 Ų96107.7 Ų107.758%0.58252%0.515SS*.Hα-helixtrans-64.4-43.8176.6172.50000111.2L5 I6 I7 Y13L5-V9 WeakPolarHBondContact O-CG2 2.92Å; L5-V9 PolarHBondContact O-N 3.05Å; I6-V9 PolarHBondContact O-N 3.15Å; I7-V9 VanDerWaalsContact C-N 3.26Å; I7-V9 PolarHBondContact O-N 3.07Å; V9-Y13 WeakPolarHBondContact O-CB 3.32Å; V9-Y13 PolarHBondContact O-N 3.15Å
10F90.9Very high89.1Confident145 Ų145105.5 Ų105.564%0.63650%0.504SS*.Hα-helixtrans-67.5-42.5177.8-72.7-81.5000112.1I6 I7 Y13 Q14I6-F10 HydrophobicContact CG2-CD2 4.3Å; I6-F10 HydrophobicContact CG2-CE2 3.92Å; I6-F10 VanDerWaalsContact O-CD2 3.26Å; I6-F10 WeakPolarHBondContact O-CD2 3.41Å; I7-F10 PolarHBondContact O-N 3.19Å; I7-F10 VanDerWaalsContact O-N 3.12Å; F10-Y13 PolarHBondContact O-N 3.22Å; F10-Q14 WeakPolarHBondContact O-CB 3.48Å; F10-Q14 PolarHBondContact O-N 2.85Å
11E91.3Very high89.5Confident117 Ų117100.5 Ų100.555%0.54748%0.48SS..Hα-helixtrans-61.6-43.9176.3-72.8179.9167.400111.8I7 Q14 K15I7-E11 HydrophobicContact CG2-CG 4.1Å; I7-E11 PolarHBondContact O-N 2.85Å; E11-Q14 PolarHBondContact O-N 3.34Å; E11-K15 WeakPolarHBondContact O-CB 3.27Å; E11-K15 PolarHBondContact O-N 3.19Å
12Q94.2Very high91.2Very high138 Ų13895.2 Ų95.265%0.64545%0.452SS*.Hα-helixtrans-63.6-43.8177.1-174.8174.51.900111.1Q8 K15 S16Q8-Q12 VanDerWaalsContact O-CB 3.3Å; Q8-Q12 WeakPolarHBondContact O-CB 3.37Å; Q8-Q12 PolarHBondContact O-N 3.03Å; Q12-K15 PolarHBondContact O-N 3.49Å; Q12-S16 PolarHBondContact O-N 3.01Å; Q12-S16 PolarHBondContact O-OG 3.45Å; Q12-S16 VanDerWaalsContact O-OG 3.12Å
13Y93.9Very high92.1Very high145 Ų14595.2 Ų95.257%0.56945%0.45SS*.Hα-helixtrans-62.3-44.5177-178.6-133.1000111.7V9 F10 K15 S16 R17V9-Y13 WeakPolarHBondContact O-CB 3.32Å; V9-Y13 PolarHBondContact O-N 3.15Å; F10-Y13 PolarHBondContact O-N 3.22Å; Y13-K15 PolarHBondContact O-N 2.96Å; Y13-S16 PolarHBondContact O-N 3.22Å; Y13-R17 VanDerWaalsContact C-NH1 3.35Å; Y13-R17 HydrophobicContact CD2-CG 4.23Å; Y13-R17 HydrophobicContact CE2-CG 3.86Å; Y13-R17 VanDerWaalsContact CG-NH1 3.3Å; Y13-R17 WeakPolarHBondContact O-CG 3.47Å; Y13-R17 PolarHBondContact O-N 3.05Å; Y13-R17 PolarHBondContact O-NH1 2.92Å
14Q93.8Very high92.8Very high84 Ų8488.5 Ų88.539%0.39342%0.419SS..Hα-helixtrans-59.4-44.9174.7176.2174.8-30.100112F10 E11 S16 R17 L18 V54 I57F10-Q14 WeakPolarHBondContact O-CB 3.48Å; F10-Q14 PolarHBondContact O-N 2.85Å; E11-Q14 PolarHBondContact O-N 3.34Å; Q14-S16 PolarHBondContact O-N 3.48Å; Q14-R17 PolarHBondContact O-N 2.9Å; Q14-L18 WeakPolarHBondContact O-CB 3.25Å; Q14-L18 PolarHBondContact O-N 3.29Å; Q14-V54 HydrophobicContact CG-CG2 4.01Å; Q14-I57 HydrophobicContact CG-CD1 4.23Å
15K94.1Very high93.3Very high150 Ų15079.8 Ų79.865%0.65239%0.387SS*.Hα-helixtrans-61.8-43.3178.5-172177.3179.8-179.70111.8E11 Q12 Y13 L18 Q19E11-K15 WeakPolarHBondContact O-CB 3.27Å; E11-K15 PolarHBondContact O-N 3.19Å; Q12-K15 PolarHBondContact O-N 3.49Å; Y13-K15 PolarHBondContact O-N 2.96Å; K15-L18 PolarHBondContact O-N 3.45Å; K15-Q19 WeakPolarHBondContact O-CB 3.27Å; K15-Q19 PolarHBondContact O-N 3.43Å
16S95.6Very high93.6Very high61 Ų6180.4 Ų80.443%0.42739%0.39SS..Hα-helixtrans-62.8-43.4177.3-63.30000112.2Q12 Y13 Q14 Q19 F20Q12-S16 PolarHBondContact O-N 3.01Å; Q12-S16 PolarHBondContact O-OG 3.45Å; Q12-S16 VanDerWaalsContact O-OG 3.12Å; Y13-S16 PolarHBondContact O-N 3.22Å; Q14-S16 PolarHBondContact O-N 3.48Å; S16-Q19 PolarHBondContact O-N 2.98Å; S16-F20 WeakPolarHBondContact O-CB 3.37Å; S16-F20 PolarHBondContact O-N 2.97Å
17R95.9Very high93.9Very high28 Ų2880 Ų8011%0.10639%0.388CS..Hα-helixtrans-63.9-43.2176.7-67.8-166.5-43.3-82.89112Y13 Q14 F20 V21 L49 D52 I57Y13-R17 VanDerWaalsContact C-NH1 3.35Å; Y13-R17 HydrophobicContact CD2-CG 4.23Å; Y13-R17 HydrophobicContact CE2-CG 3.86Å; Y13-R17 VanDerWaalsContact CG-NH1 3.3Å; Y13-R17 WeakPolarHBondContact O-CG 3.47Å; Y13-R17 PolarHBondContact O-N 3.05Å; Y13-R17 PolarHBondContact O-NH1 2.92Å; Q14-R17 PolarHBondContact O-N 2.9Å; R17-F20 WeakPolarHBondContact O-CB 3.45Å; R17-F20 PolarHBondContact O-N 3.12Å; R17-V21 WeakPolarHBondContact O-CG2 3.47Å; R17-V21 PolarHBondContact O-N 3.43Å; R17-V21 VanDerWaalsContact O-N 3.09Å; R17-L49 HydrophobicContact CB-CD2 4.28Å; R17-L49 HydrophobicContact CG-CD2 4.21Å; R17-D52 IonicContact CZ-OD1 3.95Å; R17-D52 IonicContact CZ-OD2 3.32Å; R17-D52 VanDerWaalsContact CZ-OD2 3.32Å; R17-D52 IonicContact NE-OD1 3.94Å; R17-D52 IonicContact NE-OD2 2.65Å; R17-D52 PolarHBondContact NE-OD2 3.46Å; R17-D52 IonicContact NH2-OD1 3.05Å; R17-D52 PolarHBondContact NH2-OD1 3.25Å; R17-D52 IonicContact NH2-OD2 3.18Å; R17-D52 PolarHBondContact NH2-OD2 3.26Å; R17-I57 HydrophobicContact CB-CD1 3.76Å
18L95Very high94.1Very high42 Ų4276.6 Ų76.622%0.2237%0.371CS..Hα-helixtrans-62-47.1176.1-178.461.1000111.7Q14 K15 F20 V21 Q22 I57Q14-L18 WeakPolarHBondContact O-CB 3.25Å; Q14-L18 PolarHBondContact O-N 3.29Å; K15-L18 PolarHBondContact O-N 3.45Å; L18-F20 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 3.36Å; L18-V21 HydrophobicContact CD1-CG2 4.33Å; L18-V21 WeakPolarHBondContact O-CG2 3.41Å; L18-V21 PolarHBondContact O-N 3.28Å; L18-Q22 HydrophobicContact CD1-CG 4.27Å; L18-Q22 WeakPolarHBondContact O-CB 3.42Å; L18-Q22 VanDerWaalsContact O-CG 3.27Å; L18-Q22 WeakPolarHBondContact O-CG 3.24Å; L18-Q22 PolarHBondContact O-N 3.16Å; L18-I57 HydrophobicContact CB-CD1 4.31Å; L18-I57 HydrophobicContact CB-CG1 4.04Å; L18-I57 HydrophobicContact CD1-CG1 4.07Å
19Q96.4Very high94Very high115 Ų11576 Ų7654%0.53737%0.374SS..Hα-helixtrans-61-40.1177.7-176.51764.600111.5K15 S16 T23K15-Q19 WeakPolarHBondContact O-CB 3.27Å; K15-Q19 PolarHBondContact O-N 3.43Å; S16-Q19 PolarHBondContact O-N 2.98Å; Q19-T23 WeakPolarHBondContact O-CB 3.21Å; Q19-T23 PolarHBondContact O-N 3.38Å; Q19-T23 PolarHBondContact O-OG1 3.44Å
20F96.6Very high93.9Very high64 Ų6479.3 Ų79.328%0.28138%0.375SS..Hα-helixtrans-59.2-55.7176.1175.2-97.8000111.6S16 R17 L18 Q22 T23 V24 V42 M45 L46 L49S16-F20 WeakPolarHBondContact O-CB 3.37Å; S16-F20 PolarHBondContact O-N 2.97Å; R17-F20 WeakPolarHBondContact O-CB 3.45Å; R17-F20 PolarHBondContact O-N 3.12Å; L18-F20 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 3.36Å; F20-Q22 VanDerWaalsContact C-N 3.3Å; F20-Q22 PolarHBondContact O-N 3.28Å; F20-T23 PolarHBondContact O-N 2.92Å; F20-V24 HydrophobicContact CD1-CG2 4.42Å; F20-V24 HydrophobicContact CD2-CG2 4.25Å; F20-V24 HydrophobicContact CE1-CG2 4.09Å; F20-V24 HydrophobicContact CE2-CG2 3.91Å; F20-V24 HydrophobicContact CZ-CG2 3.83Å; F20-V24 WeakPolarHBondContact O-CG2 3.49Å; F20-V24 PolarHBondContact O-N 3.36Å; F20-V42 HydrophobicContact CZ-CG2 4.05Å; F20-M45 HydrophobicContact CE1-CB 4.26Å; F20-M45 HydrophobicContact CE1-CE 4.16Å; F20-M45 HydrophobicContact CE2-CE 3.97Å; F20-M45 HydrophobicContact CE2-SD 4.5Å; F20-M45 HydrophobicContact CZ-CB 4.3Å; F20-M45 HydrophobicContact CZ-CE 3.58Å; F20-M45 HydrophobicContact CZ-SD 3.86Å; F20-L46 HydrophobicContact CE1-CD2 4.49Å; F20-L49 HydrophobicContact CD1-CD1 3.63Å; F20-L49 HydrophobicContact CE1-CD1 3.79Å
21V96Very high93.6Very high0 Ų076.6 Ų76.60%037%0.372CS..Hα-helixtrans-63.5-36.1-177.7-63.30000112.4R17 L18 A25 L46 L49 I57 T60 A61R17-V21 WeakPolarHBondContact O-CG2 3.47Å; R17-V21 PolarHBondContact O-N 3.43Å; R17-V21 VanDerWaalsContact O-N 3.09Å; L18-V21 HydrophobicContact CD1-CG2 4.33Å; L18-V21 WeakPolarHBondContact O-CG2 3.41Å; L18-V21 PolarHBondContact O-N 3.28Å; V21-A25 VanDerWaalsContact O-CB 3.26Å; V21-A25 WeakPolarHBondContact O-CB 3.32Å; V21-A25 PolarHBondContact O-N 3.32Å; V21-L46 HydrophobicContact CG1-CD2 4.24Å; V21-L49 HydrophobicContact CG1-CB 4.22Å; V21-L49 HydrophobicContact CG1-CD1 3.55Å; V21-L49 HydrophobicContact CG1-CG 4.43Å; V21-I57 HydrophobicContact CG1-CG2 4.17Å; V21-I57 HydrophobicContact CG2-CG2 4.28Å; V21-T60 HydrophobicContact CB-CG2 3.94Å; V21-T60 HydrophobicContact CG2-CG2 3.68Å; V21-A61 HydrophobicContact CG1-CB 4.04Å
22Q95.7Very high93.5Very high92 Ų9279 Ų7943%0.4338%0.383SS..Hα-helixtrans-64.3-48.7175.7-73.8175.3-33.600111.4L18 F20 V24 A25 D26 T60L18-Q22 HydrophobicContact CD1-CG 4.27Å; L18-Q22 WeakPolarHBondContact O-CB 3.42Å; L18-Q22 VanDerWaalsContact O-CG 3.27Å; L18-Q22 WeakPolarHBondContact O-CG 3.24Å; L18-Q22 PolarHBondContact O-N 3.16Å; F20-Q22 VanDerWaalsContact C-N 3.3Å; F20-Q22 PolarHBondContact O-N 3.28Å; Q22-V24 VanDerWaalsContact C-N 3.35Å; Q22-V24 PolarHBondContact O-N 2.96Å; Q22-A25 PolarHBondContact O-N 3.28Å; Q22-D26 PolarHBondContact O-N 3.42Å; Q22-T60 HydrophobicContact CG-CG2 4.01Å
23T95.7Very high93.3Very high67 Ų6774 Ų7441%0.41136%0.361SS..Hα-helixtrans-62.3-44.5179.8-53.80000110.8Q19 F20 D26 L27Q19-T23 WeakPolarHBondContact O-CB 3.21Å; Q19-T23 PolarHBondContact O-N 3.38Å; Q19-T23 PolarHBondContact O-OG1 3.44Å; F20-T23 PolarHBondContact O-N 2.92Å; T23-D26 PolarHBondContact O-N 2.92Å; T23-L27 HydrophobicContact CG2-CD1 4.03Å; T23-L27 HydrophobicContact CG2-CG 4.42Å; T23-L27 WeakPolarHBondContact O-CB 3.48Å; T23-L27 VanDerWaalsContact O-CG 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.29Å; T23-L27 PolarHBondContact O-N 2.91Å
24V94.9Very high93Very high7 Ų767.3 Ų67.34%0.04234%0.335CS..Hα-helixtrans-62.9-45.6176.8172.90000111F20 Q22 D26 L27 A28 V42 L46 A64F20-V24 HydrophobicContact CD1-CG2 4.42Å; F20-V24 HydrophobicContact CD2-CG2 4.25Å; F20-V24 HydrophobicContact CE1-CG2 4.09Å; F20-V24 HydrophobicContact CE2-CG2 3.91Å; F20-V24 HydrophobicContact CZ-CG2 3.83Å; F20-V24 WeakPolarHBondContact O-CG2 3.49Å; F20-V24 PolarHBondContact O-N 3.36Å; Q22-V24 VanDerWaalsContact C-N 3.35Å; Q22-V24 PolarHBondContact O-N 2.96Å; V24-D26 VanDerWaalsContact C-N 3.28Å; V24-D26 PolarHBondContact O-N 3.21Å; V24-L27 PolarHBondContact O-N 2.96Å; V24-A28 VanDerWaalsContact O-CB 3.29Å; V24-A28 WeakPolarHBondContact O-CB 3.15Å; V24-A28 PolarHBondContact O-N 3.32Å; V24-V42 HydrophobicContact CB-CG2 4.4Å; V24-V42 HydrophobicContact CG1-CG2 3.59Å; V24-V42 HydrophobicContact CG2-CG2 3.86Å; V24-L46 HydrophobicContact CG1-CD1 4.03Å; V24-L46 HydrophobicContact CG1-CD2 4.26Å; V24-A64 HydrophobicContact CG1-CB 4.13Å
25A93.4Very high92.6Very high2 Ų269.4 Ų69.42%0.01735%0.345CS..Hα-helixtrans-57.9-43.4177.200000111.2V21 Q22 A28 T29 T60 A64 R67V21-A25 VanDerWaalsContact O-CB 3.26Å; V21-A25 WeakPolarHBondContact O-CB 3.32Å; V21-A25 PolarHBondContact O-N 3.32Å; Q22-A25 PolarHBondContact O-N 3.28Å; A25-A28 PolarHBondContact O-N 3.39Å; A25-T29 PolarHBondContact O-N 3.12Å; A25-T60 HydrophobicContact CB-CG2 4.23Å; A25-A64 HydrophobicContact CB-CB 3.89Å; A25-R67 WeakPolarHBondContact O-CD 3.46Å; A25-R67 PolarHBondContact O-NH1 3.49Å
26D94.4Very high92.4Very high100 Ų10067.6 Ų67.654%0.53534%0.342SS..Hα-helixtrans-69.2-41.3-179.9-71.1-17.7000112Q22 T23 V24 A28 T29 R67Q22-D26 PolarHBondContact O-N 3.42Å; T23-D26 PolarHBondContact O-N 2.92Å; V24-D26 VanDerWaalsContact C-N 3.28Å; V24-D26 PolarHBondContact O-N 3.21Å; D26-A28 VanDerWaalsContact C-N 3.31Å; D26-A28 PolarHBondContact O-N 3.1Å; D26-T29 WeakPolarHBondContact O-CB 3.32Å; D26-T29 WeakPolarHBondContact O-CG2 3.48Å; D26-T29 PolarHBondContact O-N 2.95Å; D26-T29 PolarHBondContact O-OG1 2.48Å; D26-R67 IonicContact OD1-NH1 3.36Å; D26-R67 PolarHBondContact OD1-NH1 3.49Å
27L93.6Very high92.1Very high75 Ų7565.7 Ų65.739%0.39333%0.326SS..Hα-helixtrans-63.1-38.2174.5-70.2173.1000111.8T23 V24 T29 R30 N33 L37T23-L27 HydrophobicContact CG2-CD1 4.03Å; T23-L27 HydrophobicContact CG2-CG 4.42Å; T23-L27 WeakPolarHBondContact O-CB 3.48Å; T23-L27 VanDerWaalsContact O-CG 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.29Å; T23-L27 PolarHBondContact O-N 2.91Å; V24-L27 PolarHBondContact O-N 2.96Å; L27-T29 PolarHBondContact O-N 3.48Å; L27-R30 PolarHBondContact O-N 3.38Å; L27-N33 VanDerWaalsContact O-CB 3.31Å; L27-N33 WeakPolarHBondContact O-CB 3.22Å; L27-N33 PolarHBondContact O-ND2 3.32Å; L27-L37 HydrophobicContact CB-CD1 3.91Å; L27-L37 HydrophobicContact CB-CD2 4.39Å; L27-L37 HydrophobicContact CD1-CD2 4.27Å
28A91.9Very high91.8Very high0 Ų067.5 Ų67.50%034%0.336CS..THydrogen-bonded Turntrans-67.8-8.4178.300000114.1V24 A25 D26 R30 L37 R67 L68 Q71V24-A28 VanDerWaalsContact O-CB 3.29Å; V24-A28 WeakPolarHBondContact O-CB 3.15Å; V24-A28 PolarHBondContact O-N 3.32Å; A25-A28 PolarHBondContact O-N 3.39Å; D26-A28 VanDerWaalsContact C-N 3.31Å; D26-A28 PolarHBondContact O-N 3.1Å; A28-R30 PolarHBondContact O-N 3.2Å; A28-L37 HydrophobicContact CB-CD1 4.05Å; A28-R67 HydrophobicContact CB-CB 3.84Å; A28-L68 HydrophobicContact CB-CD2 3.76Å; A28-L68 HydrophobicContact CB-CG 3.89Å; A28-Q71 PolarHBondContact O-NE2 3.21Å
29T89.4Confident91.5Very high69 Ų6972 Ų7242%0.42336%0.36SS..THydrogen-bonded Turntrans-68.4-24.2171.862.20000112.6A25 D26 L27 R67 Q71A25-T29 PolarHBondContact O-N 3.12Å; D26-T29 WeakPolarHBondContact O-CB 3.32Å; D26-T29 WeakPolarHBondContact O-CG2 3.48Å; D26-T29 PolarHBondContact O-N 2.95Å; D26-T29 PolarHBondContact O-OG1 2.48Å; L27-T29 PolarHBondContact O-N 3.48Å; T29-R67 VanDerWaalsContact CG2-NH1 3.34Å; T29-Q71 PolarHBondContact O-NE2 3.14Å
30R89Confident91.2Very high165 Ų16570.2 Ų70.262%0.62337%0.365SS*.SBendtrans-99.1121.1-177.7-61.3-176.8-177.9-175.70.3109.7L27 A28 Q32 N33L27-R30 PolarHBondContact O-N 3.38Å; A28-R30 PolarHBondContact O-N 3.2Å; R30-Q32 PolarHBondContact O-N 2.95Å; R30-Q32 VanDerWaalsContact O-N 3.11Å; R30-N33 PolarHBondContact O-N 3.37Å
31P85.5Confident90.9Very high88 Ų8868.8 Ų68.857%0.57137%0.369SS*.Hα-helixtrans-53.9-37.1-177.7-20.624.1000113.7N33 S34 Q71P31-N33 PolarHBondContact O-N 3.33Å; P31-S34 WeakPolarHBondContact O-CB 3.36Å; P31-S34 PolarHBondContact O-N 3.37Å; P31-S34 PolarHBondContact O-OG 3.02Å; P31-Q71 VanDerWaalsContact CG-OE1 3.24Å
32Q88.6Confident90.7Very high167 Ų16769 Ų6978%0.7837%0.37SS*.Hα-helixtrans-61.2-26.5-179.7-62.51712.700113.5R30R30-Q32 PolarHBondContact O-N 2.95Å; R30-Q32 VanDerWaalsContact O-N 3.11Å
33N90.6Very high90.4Very high34 Ų3464.7 Ų64.718%0.18235%0.35CS..Hα-helixtrans-87.7-19.1-177.9-66.9-15.6000112.3L27 R30 P31 E35 I36 L37L27-N33 VanDerWaalsContact O-CB 3.31Å; L27-N33 WeakPolarHBondContact O-CB 3.22Å; L27-N33 PolarHBondContact O-ND2 3.32Å; R30-N33 PolarHBondContact O-N 3.37Å; P31-N33 PolarHBondContact O-N 3.33Å; N33-E35 PolarHBondContact O-N 3.09Å; N33-I36 PolarHBondContact O-N 3.29Å; N33-L37 HydrophobicContact CB-CD1 4.33Å; N33-L37 WeakPolarHBondContact O-CB 3.28Å; N33-L37 VanDerWaalsContact O-CG 3.25Å; N33-L37 WeakPolarHBondContact O-CG 3.24Å; N33-L37 PolarHBondContact O-N 3.13Å
34S86.1Confident90.1Very high3 Ų364.7 Ų64.72%0.02135%0.351CS..Hα-helixtrans-64.5-40.9-168.4-51.70000112.6P31 H38 Q71P31-S34 WeakPolarHBondContact O-CB 3.36Å; P31-S34 PolarHBondContact O-N 3.37Å; P31-S34 PolarHBondContact O-OG 3.02Å; S34-H38 WeakPolarHBondContact O-CB 3.44Å; S34-H38 PolarHBondContact O-N 3.36Å; S34-Q71 WeakPolarHBondContact OG-CG 3.48Å
35E85.3Confident90.1Very high128 Ų12868.8 Ų68.860%0.59837%0.371SS*.Hα-helixtrans-69.2-38.9175.4-66.3-172.6165.400112.1N33 L37 H38 N39N33-E35 PolarHBondContact O-N 3.09Å; E35-L37 VanDerWaalsContact C-N 3.35Å; E35-L37 PolarHBondContact O-N 3.12Å; E35-H38 PolarHBondContact O-N 2.89Å; E35-N39 WeakPolarHBondContact O-CB 3.3Å; E35-N39 PolarHBondContact O-N 3.11Å; E35-N39 PolarHBondContact O-ND2 3.17Å
36I90.8Very high90Very high113 Ų11368.7 Ų68.758%0.57937%0.37SS*.Hα-helixtrans-62.6-45.8177-59.3173.7000110N33 H38 N39 A40N33-I36 PolarHBondContact O-N 3.29Å; I36-H38 VanDerWaalsContact C-N 3.34Å; I36-N39 PolarHBondContact O-N 3.44Å; I36-A40 WeakPolarHBondContact O-CB 3.45Å; I36-A40 PolarHBondContact O-N 3.46Å
37L90.3Very high89.9Confident20 Ų2068.4 Ų68.411%0.10536%0.361CS..Hα-helixtrans-62.3-41.9177.1-72.3172000111.5L27 A28 N33 E35 A40 V42 L68L27-L37 HydrophobicContact CB-CD1 3.91Å; L27-L37 HydrophobicContact CB-CD2 4.39Å; L27-L37 HydrophobicContact CD1-CD2 4.27Å; A28-L37 HydrophobicContact CB-CD1 4.05Å; N33-L37 HydrophobicContact CB-CD1 4.33Å; N33-L37 WeakPolarHBondContact O-CB 3.28Å; N33-L37 VanDerWaalsContact O-CG 3.25Å; N33-L37 WeakPolarHBondContact O-CG 3.24Å; N33-L37 PolarHBondContact O-N 3.13Å; E35-L37 VanDerWaalsContact C-N 3.35Å; E35-L37 PolarHBondContact O-N 3.12Å; L37-A40 PolarHBondContact O-N 3.01Å; L37-V42 HydrophobicContact CB-CG1 4.06Å; L37-V42 VanDerWaalsContact O-CB 3.28Å; L37-V42 WeakPolarHBondContact O-CB 3.2Å; L37-V42 VanDerWaalsContact O-CG1 3.23Å; L37-V42 WeakPolarHBondContact O-CG1 3.5Å; L37-V42 PolarHBondContact O-N 3.11Å; L37-L68 HydrophobicContact CB-CD2 4.16Å; L37-L68 HydrophobicContact CD1-CD2 3.95Å
38H88.2Confident89.8Confident67 Ų6768.7 Ų68.731%0.3137%0.37SS..Hα-helixtrans-63.6-48.2175.8-176.960000112.3S34 E35 I36 A40 G41 L75S34-H38 WeakPolarHBondContact O-CB 3.44Å; S34-H38 PolarHBondContact O-N 3.36Å; E35-H38 PolarHBondContact O-N 2.89Å; I36-H38 VanDerWaalsContact C-N 3.34Å; H38-A40 PolarHBondContact O-N 3.13Å; H38-G41 PolarHBondContact O-N 3.42Å; H38-L75 HydrophobicContact CB-CD2 3.46Å; H38-L75 VanDerWaalsContact CB-CD2 3.46Å; H38-L75 VanDerWaalsContact CG-CD2 3.43Å
39N88.4Confident89.8Confident136 Ų13669.7 Ų69.773%0.72738%0.375SS*.Hα-helixtrans-63.4-26.8177.4-69-19.5000112.7E35 I36 G41E35-N39 WeakPolarHBondContact O-CB 3.3Å; E35-N39 PolarHBondContact O-N 3.11Å; E35-N39 PolarHBondContact O-ND2 3.17Å; I36-N39 PolarHBondContact O-N 3.44Å; N39-G41 PolarHBondContact O-N 3.48Å
40A91.3Very high89.8Confident78 Ų7866.5 Ų66.565%0.64536%0.355SS*.THydrogen-bonded Turntrans-75-0.5172.500000113.7I36 L37 H38I36-A40 WeakPolarHBondContact O-CB 3.45Å; I36-A40 PolarHBondContact O-N 3.46Å; L37-A40 PolarHBondContact O-N 3.01Å; H38-A40 PolarHBondContact O-N 3.13Å
41G90Very high89.7Confident34 Ų3464.1 Ų64.135%0.35135%0.354SS..THydrogen-bonded Turntrans76.529.3177.200000113.8H38 N39 M43 P44H38-G41 PolarHBondContact O-N 3.42Å; N39-G41 PolarHBondContact O-N 3.48Å; G41-M43 VanDerWaalsContact C-N 3.31Å; G41-M43 PolarHBondContact O-N 2.82Å; G41-P44 WeakPolarHBondContact O-CD 3.46Å
42V91.9Very high90Very high5 Ų560.7 Ų60.73%0.0333%0.331CS..Hα-helixtrans-69.6-26-174.882.60000113.5F20 V24 L37 M45 L46 L68F20-V42 HydrophobicContact CZ-CG2 4.05Å; V24-V42 HydrophobicContact CB-CG2 4.4Å; V24-V42 HydrophobicContact CG1-CG2 3.59Å; V24-V42 HydrophobicContact CG2-CG2 3.86Å; L37-V42 HydrophobicContact CB-CG1 4.06Å; L37-V42 VanDerWaalsContact O-CB 3.28Å; L37-V42 WeakPolarHBondContact O-CB 3.2Å; L37-V42 VanDerWaalsContact O-CG1 3.23Å; L37-V42 WeakPolarHBondContact O-CG1 3.5Å; L37-V42 PolarHBondContact O-N 3.11Å; V42-M45 WeakPolarHBondContact O-CB 3.15Å; V42-M45 PolarHBondContact O-N 3.32Å; V42-L46 HydrophobicContact CG1-CD1 4.2Å; V42-L46 HydrophobicContact CG2-CD1 4.07Å; V42-L46 HydrophobicContact CG2-CG 4.09Å; V42-L46 WeakPolarHBondContact O-CG 3.42Å; V42-L46 PolarHBondContact O-N 2.69Å; V42-L68 HydrophobicContact CG1-CD1 3.68Å
43M89.1Confident89.9Confident1 Ų159 Ų591%0.00533%0.332CS..Hα-helixtrans-64.5-50.3-172.5-65.8-70.1-163.300112.8G41 M45 L46 R47 L65 L68 L75 V79 E82G41-M43 VanDerWaalsContact C-N 3.31Å; G41-M43 PolarHBondContact O-N 2.82Å; M43-M45 PolarHBondContact O-N 3.38Å; M43-L46 PolarHBondContact O-N 3.11Å; M43-R47 WeakPolarHBondContact O-CB 3.33Å; M43-R47 PolarHBondContact O-N 3.09Å; M43-L65 HydrophobicContact SD-CD2 3.48Å; M43-L65 WeakPolarHBondContact SD-CD2 3.48Å; M43-L68 HydrophobicContact CE-CB 3.73Å; M43-L68 HydrophobicContact CE-CD1 3.87Å; M43-L68 HydrophobicContact CE-CG 4.37Å; M43-L68 HydrophobicContact SD-CD1 3.88Å; M43-L75 HydrophobicContact CE-CB 4.09Å; M43-L75 HydrophobicContact CE-CD2 3.83Å; M43-L75 HydrophobicContact CE-CG 4.48Å; M43-V79 HydrophobicContact CE-CG2 4.31Å; M43-V79 HydrophobicContact SD-CG2 4.29Å; M43-E82 VanDerWaalsContact CB-CD 3.5Å; M43-E82 WeakPolarHBondContact CB-OE1 3.19Å; M43-E82 VanDerWaalsContact CB-OE2 3.25Å; M43-E82 WeakPolarHBondContact CB-OE2 3.39Å
44P90.7Very high89.9Confident66 Ų6658.3 Ų58.343%0.42933%0.329SS..Hα-helixtrans-62-31.8174.8-25.334000113.5G41 S48 E82G41-P44 WeakPolarHBondContact O-CD 3.46Å; P44-S48 PolarHBondContact O-N 3.07Å; P44-S48 VanDerWaalsContact O-N 3.09Å; P44-S48 PolarHBondContact O-OG 2.92Å; P44-E82 WeakPolarHBondContact CD-OE2 3.47Å; P44-E82 VanDerWaalsContact N-OE2 3.14Å
45M93.2Very high90.1Very high94 Ų9460.9 Ų60.946%0.46335%0.346SS..Hα-helixtrans-67.9-47177.2-58.9-17973.200110.5F20 V42 M43 S48 L49F20-M45 HydrophobicContact CE1-CB 4.26Å; F20-M45 HydrophobicContact CE1-CE 4.16Å; F20-M45 HydrophobicContact CE2-CE 3.97Å; F20-M45 HydrophobicContact CE2-SD 4.5Å; F20-M45 HydrophobicContact CZ-CB 4.3Å; F20-M45 HydrophobicContact CZ-CE 3.58Å; F20-M45 HydrophobicContact CZ-SD 3.86Å; V42-M45 WeakPolarHBondContact O-CB 3.15Å; V42-M45 PolarHBondContact O-N 3.32Å; M43-M45 PolarHBondContact O-N 3.38Å; M45-S48 PolarHBondContact O-N 2.61Å; M45-L49 VanDerWaalsContact O-CG 3.26Å; M45-L49 WeakPolarHBondContact O-CG 3.33Å; M45-L49 PolarHBondContact O-N 3.45Å
46L92.9Very high90.4Very high0 Ų056.8 Ų56.80%033%0.332CS..Hα-helixtrans-65-42.4177.3-68.8173.9000111.6F20 V21 V24 V42 M43 S48 L49 M50 A61 A64 L65 L68F20-L46 HydrophobicContact CE1-CD2 4.49Å; V21-L46 HydrophobicContact CG1-CD2 4.24Å; V24-L46 HydrophobicContact CG1-CD1 4.03Å; V24-L46 HydrophobicContact CG1-CD2 4.26Å; V42-L46 HydrophobicContact CG1-CD1 4.2Å; V42-L46 HydrophobicContact CG2-CD1 4.07Å; V42-L46 HydrophobicContact CG2-CG 4.09Å; V42-L46 WeakPolarHBondContact O-CG 3.42Å; V42-L46 PolarHBondContact O-N 2.69Å; M43-L46 PolarHBondContact O-N 3.11Å; L46-S48 VanDerWaalsContact C-N 3.26Å; L46-S48 PolarHBondContact O-N 2.97Å; L46-L49 CarbonylContact O-C 3.56Å; L46-L49 PolarHBondContact O-N 3.34Å; L46-L49 VanDerWaalsContact O-N 3.09Å; L46-M50 WeakPolarHBondContact O-CG 3.24Å; L46-M50 PolarHBondContact O-N 3.42Å; L46-A61 HydrophobicContact CD2-CB 4.29Å; L46-A64 HydrophobicContact CD1-CB 3.88Å; L46-A64 HydrophobicContact CD2-CB 3.93Å; L46-L65 HydrophobicContact CB-CD1 3.95Å; L46-L65 HydrophobicContact CB-CD2 3.77Å; L46-L65 HydrophobicContact CB-CG 3.72Å; L46-L65 HydrophobicContact CD1-CD2 3.79Å; L46-L65 HydrophobicContact CD1-CG 3.9Å; L46-L65 HydrophobicContact CG-CD2 4.46Å; L46-L65 HydrophobicContact CG-CG 4.44Å; L46-L68 HydrophobicContact CD1-CD1 3.85Å
47R90.9Very high90.5Very high93 Ų9351.4 Ų51.435%0.35130%0.304SS..Hα-helixtrans-53.6-44.8173.3-179.1-179.8178.4-137.88.6111.8M43 M50 E82 I84 Q87M43-R47 WeakPolarHBondContact O-CB 3.33Å; M43-R47 PolarHBondContact O-N 3.09Å; R47-M50 WeakPolarHBondContact O-CB 3.35Å; R47-M50 PolarHBondContact O-N 2.87Å; R47-E82 VanDerWaalsContact CD-O 3.26Å; R47-E82 WeakPolarHBondContact CD-O 3.37Å; R47-E82 PolarHBondContact NE-O 2.98Å; R47-E82 VanDerWaalsContact NE-O 3.08Å; R47-I84 HydrophobicContact CB-CD1 4.17Å; R47-I84 HydrophobicContact CB-CG1 3.96Å; R47-I84 HydrophobicContact CG-CG1 3.88Å; R47-Q87 PolarHBondContact O-NE2 3.46Å
48S91.6Very high90.6Very high81 Ų8151.5 Ų51.557%0.56630%0.304SS*.Hα-helixtrans-65.8-41178-550000111.7P44 M45 L46 M50 L51P44-S48 PolarHBondContact O-N 3.07Å; P44-S48 VanDerWaalsContact O-N 3.09Å; P44-S48 PolarHBondContact O-OG 2.92Å; M45-S48 PolarHBondContact O-N 2.61Å; L46-S48 VanDerWaalsContact C-N 3.26Å; L46-S48 PolarHBondContact O-N 2.97Å; S48-M50 VanDerWaalsContact C-N 3.26Å; S48-M50 PolarHBondContact O-N 3.07Å; S48-L51 PolarHBondContact O-N 3.28Å; S48-L51 VanDerWaalsContact O-N 3.12Å
49L92.9Very high90.7Very high21 Ų2150.5 Ų50.511%0.1130%0.299CS..Hα-helixtrans-73-14.5179.8-67.4167.7000113.6R17 F20 V21 M45 L46 L51 D52 I57 A61R17-L49 HydrophobicContact CB-CD2 4.28Å; R17-L49 HydrophobicContact CG-CD2 4.21Å; F20-L49 HydrophobicContact CD1-CD1 3.63Å; F20-L49 HydrophobicContact CE1-CD1 3.79Å; V21-L49 HydrophobicContact CG1-CB 4.22Å; V21-L49 HydrophobicContact CG1-CD1 3.55Å; V21-L49 HydrophobicContact CG1-CG 4.43Å; M45-L49 VanDerWaalsContact O-CG 3.26Å; M45-L49 WeakPolarHBondContact O-CG 3.33Å; M45-L49 PolarHBondContact O-N 3.45Å; L46-L49 CarbonylContact O-C 3.56Å; L46-L49 PolarHBondContact O-N 3.34Å; L46-L49 VanDerWaalsContact O-N 3.09Å; L49-L51 PolarHBondContact O-N 3.09Å; L49-D52 VanDerWaalsContact O-CB 3.24Å; L49-D52 WeakPolarHBondContact O-CB 3.35Å; L49-D52 PolarHBondContact O-N 3.26Å; L49-I57 HydrophobicContact CB-CG2 4.28Å; L49-I57 HydrophobicContact CD2-CG2 4.15Å; L49-A61 HydrophobicContact CB-CB 3.95Å
50M88.9Confident91Very high2 Ų244.9 Ų44.91%0.0127%0.27CS..THydrogen-bonded Turntrans-67.6-21.1167.9-71.9-175.663.900113L46 R47 S48 D52 Q58 A61 A62 L65 I84 L88 Y99L46-M50 WeakPolarHBondContact O-CG 3.24Å; L46-M50 PolarHBondContact O-N 3.42Å; R47-M50 WeakPolarHBondContact O-CB 3.35Å; R47-M50 PolarHBondContact O-N 2.87Å; S48-M50 VanDerWaalsContact C-N 3.26Å; S48-M50 PolarHBondContact O-N 3.07Å; M50-D52 VanDerWaalsContact C-N 3.35Å; M50-Q58 WeakPolarHBondContact O-CG 3.25Å; M50-Q58 PolarHBondContact O-NE2 2.99Å; M50-A61 HydrophobicContact CG-CB 4.11Å; M50-A62 HydrophobicContact CE-CB 4.27Å; M50-L65 HydrophobicContact CG-CD1 4Å; M50-L65 HydrophobicContact SD-CD1 3.3Å; M50-L65 WeakPolarHBondContact SD-CD1 3.26Å; M50-I84 HydrophobicContact SD-CG2 3.96Å; M50-L88 HydrophobicContact CE-CB 3.82Å; M50-L88 HydrophobicContact CE-CD1 3.94Å; M50-L88 HydrophobicContact CE-CG 3.96Å; M50-Y99 HydrophobicContact CE-CE2 4.5Å; M50-Y99 VanDerWaalsContact CE-OH 3.24Å; M50-Y99 WeakPolarHBondContact CE-OH 3.33Å
51L87.3Confident91.1Very high115 Ų11541.2 Ų41.260%0.60224%0.239SC*.THydrogen-bonded Turntrans-94.810.3174.6-57.1177.7000112.6S48 L49 Q87S48-L51 PolarHBondContact O-N 3.28Å; S48-L51 VanDerWaalsContact O-N 3.12Å; L49-L51 PolarHBondContact O-N 3.09Å; L51-Q87 HydrophobicContact CD2-CG 3.88Å; L51-Q87 VanDerWaalsContact CD2-NE2 3.31Å
52D90.6Very high91.3Very high17 Ų1739.6 Ų39.69%0.09122%0.223CC..  trans-60.2149.5-178.7-158.9-75.6000111.5R17 L49 M50 V54 I57 Q58R17-D52 IonicContact CZ-OD1 3.95Å; R17-D52 IonicContact CZ-OD2 3.32Å; R17-D52 VanDerWaalsContact CZ-OD2 3.32Å; R17-D52 IonicContact NE-OD1 3.94Å; R17-D52 IonicContact NE-OD2 2.65Å; R17-D52 PolarHBondContact NE-OD2 3.46Å; R17-D52 IonicContact NH2-OD1 3.05Å; R17-D52 PolarHBondContact NH2-OD1 3.25Å; R17-D52 IonicContact NH2-OD2 3.18Å; R17-D52 PolarHBondContact NH2-OD2 3.26Å; L49-D52 VanDerWaalsContact O-CB 3.24Å; L49-D52 WeakPolarHBondContact O-CB 3.35Å; L49-D52 PolarHBondContact O-N 3.26Å; M50-D52 VanDerWaalsContact C-N 3.35Å; D52-V54 PolarHBondContact O-N 2.87Å; D52-V54 WeakPolarHBondContact OD1-CB 3.28Å; D52-V54 WeakPolarHBondContact OD1-CG2 3.22Å; D52-V54 PolarHBondContact OD1-N 3.48Å; D52-I57 HydrophobicContact CB-CB 4.07Å; D52-I57 HydrophobicContact CB-CG2 3.83Å; D52-Q58 HydrophobicContact CB-CG 4.07Å; D52-Q58 WeakPolarHBondContact O-CG 3.48Å; D52-Q58 PolarHBondContact O-NE2 3.38Å
53T88.1Confident91.4Very high131 Ų13141.9 Ų41.980%0.80424%0.235SC*.SBendtrans-72.3-16.2177.351.50000112.8P55T53-P55 WeakPolarHBondContact O-CD 3.46Å
54V90.4Very high91.6Very high20 Ų2041.9 Ų41.912%0.12123%0.234CC..SBendtrans-96.8115.2-177.2-175.30000110.3Q14 D52 S56 I57 Q58Q14-V54 HydrophobicContact CG-CG2 4.01Å; D52-V54 PolarHBondContact O-N 2.87Å; D52-V54 WeakPolarHBondContact OD1-CB 3.28Å; D52-V54 WeakPolarHBondContact OD1-CG2 3.22Å; D52-V54 PolarHBondContact OD1-N 3.48Å; V54-S56 VanDerWaalsContact C-N 3.27Å; V54-S56 WeakPolarHBondContact CG1-OG 3.42Å; V54-S56 PolarHBondContact O-N 3.42Å; V54-S56 VanDerWaalsContact O-N 3.16Å; V54-I57 HydrophobicContact CB-CB 4.3Å; V54-I57 HydrophobicContact CB-CD1 3.87Å; V54-I57 HydrophobicContact CB-CG1 3.98Å; V54-I57 HydrophobicContact CG1-CD1 4.25Å; V54-I57 HydrophobicContact CG1-CG1 4.06Å; V54-I57 HydrophobicContact CG2-CD1 4.22Å; V54-I57 WeakPolarHBondContact O-CB 3.38Å; V54-I57 PolarHBondContact O-N 3.1Å; V54-Q58 PolarHBondContact O-N 3.19Å; V54-Q58 VanDerWaalsContact O-N 3.14Å
55P89.6Confident91.8Very high57 Ų5738.7 Ų38.737%0.3721%0.214SC..Hα-helixtrans-59.6-33.4-174.6-26.334.2000114.5T53 I57 Q58 Q59 N96T53-P55 WeakPolarHBondContact O-CD 3.46Å; P55-I57 VanDerWaalsContact C-N 3.26Å; P55-I57 PolarHBondContact O-N 3.29Å; P55-Q58 PolarHBondContact O-N 3.26Å; P55-Q59 WeakPolarHBondContact O-CG 3.46Å; P55-Q59 PolarHBondContact O-N 3.41Å; P55-N96 WeakPolarHBondContact CB-ND2 3.41Å
56S91.1Very high91.8Very high42 Ų4234.2 Ų34.229%0.29419%0.192SC..Hα-helixtrans-66.5-30177.363.40000112.5V54 Q59 T60V54-S56 VanDerWaalsContact C-N 3.27Å; V54-S56 WeakPolarHBondContact CG1-OG 3.42Å; V54-S56 PolarHBondContact O-N 3.42Å; V54-S56 VanDerWaalsContact O-N 3.16Å; S56-Q59 WeakPolarHBondContact O-CG 3.43Å; S56-T60 WeakPolarHBondContact O-CB 3.46Å; S56-T60 PolarHBondContact O-N 3.27Å; S56-T60 PolarHBondContact O-OG1 3.01Å
57I93.7Very high91.8Very high0 Ų037.2 Ų37.20%020%0.203CC..Hα-helixtrans-75-48.8175.4-61.1179.7000108.9Q14 R17 L18 V21 L49 D52 V54 P55 Q59 T60 A61Q14-I57 HydrophobicContact CG-CD1 4.23Å; R17-I57 HydrophobicContact CB-CD1 3.76Å; L18-I57 HydrophobicContact CB-CD1 4.31Å; L18-I57 HydrophobicContact CB-CG1 4.04Å; L18-I57 HydrophobicContact CD1-CG1 4.07Å; V21-I57 HydrophobicContact CG1-CG2 4.17Å; V21-I57 HydrophobicContact CG2-CG2 4.28Å; L49-I57 HydrophobicContact CB-CG2 4.28Å; L49-I57 HydrophobicContact CD2-CG2 4.15Å; D52-I57 HydrophobicContact CB-CB 4.07Å; D52-I57 HydrophobicContact CB-CG2 3.83Å; V54-I57 HydrophobicContact CB-CB 4.3Å; V54-I57 HydrophobicContact CB-CD1 3.87Å; V54-I57 HydrophobicContact CB-CG1 3.98Å; V54-I57 HydrophobicContact CG1-CD1 4.25Å; V54-I57 HydrophobicContact CG1-CG1 4.06Å; V54-I57 HydrophobicContact CG2-CD1 4.22Å; V54-I57 WeakPolarHBondContact O-CB 3.38Å; V54-I57 PolarHBondContact O-N 3.1Å; P55-I57 VanDerWaalsContact C-N 3.26Å; P55-I57 PolarHBondContact O-N 3.29Å; I57-Q59 PolarHBondContact O-N 2.99Å; I57-T60 PolarHBondContact O-N 3.37Å; I57-A61 WeakPolarHBondContact O-CB 3.44Å; I57-A61 PolarHBondContact O-N 3.49Å
58Q91.4Very high91.9Very high21 Ų2132.8 Ų32.810%0.09819%0.187CC..Hα-helixtrans-53.8-52.5178.5-64.7-175.5-36.900112.2M50 D52 V54 P55 T60 A61 A62 Y99M50-Q58 WeakPolarHBondContact O-CG 3.25Å; M50-Q58 PolarHBondContact O-NE2 2.99Å; D52-Q58 HydrophobicContact CB-CG 4.07Å; D52-Q58 WeakPolarHBondContact O-CG 3.48Å; D52-Q58 PolarHBondContact O-NE2 3.38Å; V54-Q58 PolarHBondContact O-N 3.19Å; V54-Q58 VanDerWaalsContact O-N 3.14Å; P55-Q58 PolarHBondContact O-N 3.26Å; Q58-T60 VanDerWaalsContact C-N 3.31Å; Q58-T60 PolarHBondContact O-N 2.96Å; Q58-A61 PolarHBondContact O-N 2.98Å; Q58-A62 PolarHBondContact O-N 3.39Å; Q58-Y99 HydrophobicContact CB-CD2 3.94Å; Q58-Y99 HydrophobicContact CB-CE2 3.96Å
59Q91.6Very high92Very high46 Ų4629 Ų2922%0.21516%0.16CC..Hα-helixtrans-65.9-34.3-177.575-170.532.100112.2P55 S56 I57 L63 Y99 A102P55-Q59 WeakPolarHBondContact O-CG 3.46Å; P55-Q59 PolarHBondContact O-N 3.41Å; S56-Q59 WeakPolarHBondContact O-CG 3.43Å; I57-Q59 PolarHBondContact O-N 2.99Å; Q59-L63 WeakPolarHBondContact O-CB 3.44Å; Q59-L63 PolarHBondContact O-N 3.47Å; Q59-Y99 HydrophobicContact CB-CD2 4.34Å; Q59-A102 WeakPolarHBondContact O-CB 3.41Å
60T93.8Very high92Very high19 Ų1930.1 Ų30.112%0.11717%0.166CC..Hα-helixtrans-76.6-34.5-180-51.90000110.7V21 Q22 A25 S56 I57 Q58 L63 A64V21-T60 HydrophobicContact CB-CG2 3.94Å; V21-T60 HydrophobicContact CG2-CG2 3.68Å; Q22-T60 HydrophobicContact CG-CG2 4.01Å; A25-T60 HydrophobicContact CB-CG2 4.23Å; S56-T60 WeakPolarHBondContact O-CB 3.46Å; S56-T60 PolarHBondContact O-N 3.27Å; S56-T60 PolarHBondContact O-OG1 3.01Å; I57-T60 PolarHBondContact O-N 3.37Å; Q58-T60 VanDerWaalsContact C-N 3.31Å; Q58-T60 PolarHBondContact O-N 2.96Å; T60-L63 PolarHBondContact O-N 3.26Å; T60-A64 WeakPolarHBondContact O-CB 3.5Å; T60-A64 PolarHBondContact O-N 3.15Å
61A94.4Very high92.1Very high0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-61.9-47.2171.100000111.3V21 L46 L49 M50 I57 Q58 L63 A64 L65V21-A61 HydrophobicContact CG1-CB 4.04Å; L46-A61 HydrophobicContact CD2-CB 4.29Å; L49-A61 HydrophobicContact CB-CB 3.95Å; M50-A61 HydrophobicContact CG-CB 4.11Å; I57-A61 WeakPolarHBondContact O-CB 3.44Å; I57-A61 PolarHBondContact O-N 3.49Å; Q58-A61 PolarHBondContact O-N 2.98Å; A61-L63 VanDerWaalsContact C-N 3.35Å; A61-L63 PolarHBondContact O-N 3.29Å; A61-A64 WeakPolarHBondContact O-CB 3.45Å; A61-A64 PolarHBondContact O-N 3.42Å; A61-L65 WeakPolarHBondContact O-CG 3.48Å; A61-L65 PolarHBondContact O-N 3.11Å
62A93.1Very high92.2Very high0 Ų029 Ų290%016%0.161CC..Hα-helixtrans-60.9-42.2174.500000111.9M50 Q58 A64 L65 G66 Y99 A102 V106M50-A62 HydrophobicContact CE-CB 4.27Å; Q58-A62 PolarHBondContact O-N 3.39Å; A62-A64 PolarHBondContact O-N 2.86Å; A62-L65 PolarHBondContact O-N 3.1Å; A62-G66 PolarHBondContact O-N 3.37Å; A62-Y99 HydrophobicContact CB-CE2 4.32Å; A62-A102 HydrophobicContact CB-CB 3.88Å; A62-V106 WeakPolarHBondContact O-CG2 3.23Å
63L93.3Very high92.2Very high54 Ų5431.9 Ų31.928%0.28318%0.176SC..Hα-helixtrans-61.2-42.8175.3179.462.9000112.2Q59 T60 A61 G66 R67 A102 F105Q59-L63 WeakPolarHBondContact O-CB 3.44Å; Q59-L63 PolarHBondContact O-N 3.47Å; T60-L63 PolarHBondContact O-N 3.26Å; A61-L63 VanDerWaalsContact C-N 3.35Å; A61-L63 PolarHBondContact O-N 3.29Å; L63-G66 PolarHBondContact O-N 3.32Å; L63-R67 WeakPolarHBondContact O-CG 3.31Å; L63-R67 PolarHBondContact O-N 3.31Å; L63-A102 HydrophobicContact CB-CB 4.41Å; L63-F105 HydrophobicContact CD1-CD1 3.8Å; L63-F105 HydrophobicContact CD1-CE1 3.94Å
64A94.4Very high92.3Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-61.2-45.4176.300000111.5V24 A25 L46 T60 A61 A62 G66 R67 L68V24-A64 HydrophobicContact CG1-CB 4.13Å; A25-A64 HydrophobicContact CB-CB 3.89Å; L46-A64 HydrophobicContact CD1-CB 3.88Å; L46-A64 HydrophobicContact CD2-CB 3.93Å; T60-A64 WeakPolarHBondContact O-CB 3.5Å; T60-A64 PolarHBondContact O-N 3.15Å; A61-A64 WeakPolarHBondContact O-CB 3.45Å; A61-A64 PolarHBondContact O-N 3.42Å; A62-A64 PolarHBondContact O-N 2.86Å; A64-G66 PolarHBondContact O-N 3.31Å; A64-R67 PolarHBondContact O-N 3.29Å; A64-L68 WeakPolarHBondContact O-CG 3.26Å; A64-L68 PolarHBondContact O-N 3.25Å
65L93.8Very high92.4Very high0 Ų030.2 Ų30.20%016%0.162CC..Hα-helixtrans-60.8-44.1175-74166.6000111.9M43 L46 M50 A61 A62 R67 L68 A69 V79 I84 V106M43-L65 HydrophobicContact SD-CD2 3.48Å; M43-L65 WeakPolarHBondContact SD-CD2 3.48Å; L46-L65 HydrophobicContact CB-CD1 3.95Å; L46-L65 HydrophobicContact CB-CD2 3.77Å; L46-L65 HydrophobicContact CB-CG 3.72Å; L46-L65 HydrophobicContact CD1-CD2 3.79Å; L46-L65 HydrophobicContact CD1-CG 3.9Å; L46-L65 HydrophobicContact CG-CD2 4.46Å; L46-L65 HydrophobicContact CG-CG 4.44Å; M50-L65 HydrophobicContact CG-CD1 4Å; M50-L65 HydrophobicContact SD-CD1 3.3Å; M50-L65 WeakPolarHBondContact SD-CD1 3.26Å; A61-L65 WeakPolarHBondContact O-CG 3.48Å; A61-L65 PolarHBondContact O-N 3.11Å; A62-L65 PolarHBondContact O-N 3.1Å; L65-R67 VanDerWaalsContact C-N 3.32Å; L65-R67 PolarHBondContact O-N 3.24Å; L65-L68 PolarHBondContact O-N 3.21Å; L65-A69 WeakPolarHBondContact O-CB 3.4Å; L65-A69 PolarHBondContact O-N 3.44Å; L65-V79 HydrophobicContact CD2-CG2 4.47Å; L65-I84 HydrophobicContact CD1-CD1 4.23Å; L65-I84 HydrophobicContact CD1-CG2 3.98Å; L65-I84 HydrophobicContact CD2-CD1 3.83Å; L65-V106 HydrophobicContact CB-CG2 4.35Å
66G93.2Very high92.6Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-62.2-41177.300000111.6A62 L63 A64 D70 A109A62-G66 PolarHBondContact O-N 3.37Å; L63-G66 PolarHBondContact O-N 3.32Å; A64-G66 PolarHBondContact O-N 3.31Å; G66-D70 VanDerWaalsContact O-CB 3.28Å; G66-D70 WeakPolarHBondContact O-CB 3.48Å; G66-D70 PolarHBondContact O-N 3.4Å; G66-A109 WeakPolarHBondContact O-CB 3.32Å
67R94.2Very high92.7Very high63 Ų6329 Ų2924%0.23815%0.147CC..Hα-helixtrans-63.9-42.8175-74.3178.9-180175.71.5111.6A25 D26 A28 T29 L63 A64 L65 D70 Q71 F105A25-R67 WeakPolarHBondContact O-CD 3.46Å; A25-R67 PolarHBondContact O-NH1 3.49Å; D26-R67 IonicContact OD1-NH1 3.36Å; D26-R67 PolarHBondContact OD1-NH1 3.49Å; A28-R67 HydrophobicContact CB-CB 3.84Å; T29-R67 VanDerWaalsContact CG2-NH1 3.34Å; L63-R67 WeakPolarHBondContact O-CG 3.31Å; L63-R67 PolarHBondContact O-N 3.31Å; A64-R67 PolarHBondContact O-N 3.29Å; L65-R67 VanDerWaalsContact C-N 3.32Å; L65-R67 PolarHBondContact O-N 3.24Å; R67-D70 PolarHBondContact O-N 3.32Å; R67-Q71 WeakPolarHBondContact O-CG 3.36Å; R67-F105 HydrophobicContact CG-CE1 3.95Å; R67-F105 HydrophobicContact CG-CZ 4.36Å
68L93.1Very high92.6Very high0 Ų029.6 Ų29.60%015%0.151CC..Hα-helixtrans-64.6-48.3177-71.5169.7000111.5A28 L37 V42 M43 L46 A64 L65 D70 Q71 L75A28-L68 HydrophobicContact CB-CD2 3.76Å; A28-L68 HydrophobicContact CB-CG 3.89Å; L37-L68 HydrophobicContact CB-CD2 4.16Å; L37-L68 HydrophobicContact CD1-CD2 3.95Å; V42-L68 HydrophobicContact CG1-CD1 3.68Å; M43-L68 HydrophobicContact CE-CB 3.73Å; M43-L68 HydrophobicContact CE-CD1 3.87Å; M43-L68 HydrophobicContact CE-CG 4.37Å; M43-L68 HydrophobicContact SD-CD1 3.88Å; L46-L68 HydrophobicContact CD1-CD1 3.85Å; A64-L68 WeakPolarHBondContact O-CG 3.26Å; A64-L68 PolarHBondContact O-N 3.25Å; L65-L68 PolarHBondContact O-N 3.21Å; L68-D70 VanDerWaalsContact C-N 3.27Å; L68-D70 PolarHBondContact O-N 3.05Å; L68-Q71 PolarHBondContact O-N 3.09Å; L68-L75 WeakPolarHBondContact O-CB 3.34Å; L68-L75 VanDerWaalsContact O-CD1 3.31Å; L68-L75 WeakPolarHBondContact O-CD1 3.49Å
69A93.4Very high92.7Very high0 Ų028.6 Ų28.60%015%0.147CC..Hα-helixtrans-60.7-35.9178.200000112L65 Q71 A76 V79 A109 V110 H113L65-A69 WeakPolarHBondContact O-CB 3.4Å; L65-A69 PolarHBondContact O-N 3.44Å; A69-Q71 PolarHBondContact O-N 3.38Å; A69-A76 HydrophobicContact CB-CB 4.36Å; A69-V79 HydrophobicContact CB-CG2 4.18Å; A69-A109 HydrophobicContact CB-CB 3.92Å; A69-V110 HydrophobicContact CB-CG2 3.98Å; A69-H113 PolarHBondContact O-NE2 2.98Å
70D93.3Very high92.7Very high45 Ų4528.4 Ų28.424%0.24115%0.148CC..Hα-helixtrans-67.5-17.8-178.1-163.455.4000113.2G66 R67 L68 F105 A109 K112G66-D70 VanDerWaalsContact O-CB 3.28Å; G66-D70 WeakPolarHBondContact O-CB 3.48Å; G66-D70 PolarHBondContact O-N 3.4Å; R67-D70 PolarHBondContact O-N 3.32Å; L68-D70 VanDerWaalsContact C-N 3.27Å; L68-D70 PolarHBondContact O-N 3.05Å; D70-F105 HydrophobicContact CB-CE2 4.33Å; D70-F105 HydrophobicContact CB-CZ 4.17Å; D70-A109 HydrophobicContact CB-CB 3.89Å; D70-K112 PolarHBondContact O-NZ 3.32Å; D70-K112 WeakPolarHBondContact OD1-CD 3.19Å; D70-K112 IonicContact OD1-NZ 2.84Å; D70-K112 PolarHBondContact OD1-NZ 2.9Å; D70-K112 IonicContact OD2-NZ 2.57Å; D70-K112 PolarHBondContact OD2-NZ 2.93Å
71Q90.2Very high92.6Very high63 Ų6334.7 Ų34.729%0.29417%0.174SC..Hα-helixtrans-85.8-34.5-172.1-62.7-75-8.800113.3A28 T29 P31 S34 R67 L68 A69A28-Q71 PolarHBondContact O-NE2 3.21Å; T29-Q71 PolarHBondContact O-NE2 3.14Å; P31-Q71 VanDerWaalsContact CG-OE1 3.24Å; S34-Q71 WeakPolarHBondContact OG-CG 3.48Å; R67-Q71 WeakPolarHBondContact O-CG 3.36Å; L68-Q71 PolarHBondContact O-N 3.09Å; A69-Q71 PolarHBondContact O-N 3.38Å
72S88.8Confident92.3Very high31 Ų3136.9 Ų36.922%0.21718%0.184CC..  trans-156.3151.3178.870.80000113.4N74 L75 A76S72-N74 VanDerWaalsContact C-N 3.26Å; S72-N74 PolarHBondContact O-N 3.02Å; S72-L75 PolarHBondContact O-N 3.31Å; S72-L75 VanDerWaalsContact O-N 3.12Å; S72-L75 VanDerWaalsContact OG-CG 3.29Å; S72-L75 WeakPolarHBondContact OG-CG 3.4Å; S72-L75 PolarHBondContact OG-N 3.22Å; S72-A76 PolarHBondContact O-N 3.36Å
73D91.5Very high92.1Very high77 Ų7741.5 Ų41.541%0.41221%0.209SC..Hα-helixtrans-55.8-41.1175.7-60.328.8000111.2L75 A76 E77 H113D73-L75 VanDerWaalsContact C-N 3.31Å; D73-L75 PolarHBondContact O-N 3.49Å; D73-A76 PolarHBondContact O-N 3.09Å; D73-E77 WeakPolarHBondContact O-CG 3.36Å; D73-E77 PolarHBondContact O-N 3.37Å; D73-H113 HydrophobicContact CB-CB 4.36Å; D73-H113 WeakPolarHBondContact OD1-CB 3.17Å; D73-H113 IonicContact OD1-CE1 3.57Å; D73-H113 IonicContact OD1-CG 2.56Å; D73-H113 IonicContact OD1-ND1 3.07Å; D73-H113 PolarHBondContact OD1-ND1 3.3Å; D73-H113 VanDerWaalsContact OD1-ND1 3.08Å
74N91.1Very high92Very high112 Ų11239 Ų3960%0.59920%0.196SC*.Hα-helixtrans-59.3-40.1177.7-67.5-21.1000112.6S72 A78S72-N74 VanDerWaalsContact C-N 3.26Å; S72-N74 PolarHBondContact O-N 3.02Å; N74-A78 PolarHBondContact O-N 2.96Å
75L91.5Very high92Very high4 Ų439.1 Ų39.12%0.02120%0.197CC..Hα-helixtrans-76.4-34179.4-65.3174.9000111.5H38 M43 L68 S72 D73 A78 V79H38-L75 HydrophobicContact CB-CD2 3.46Å; H38-L75 VanDerWaalsContact CB-CD2 3.46Å; H38-L75 VanDerWaalsContact CG-CD2 3.43Å; M43-L75 HydrophobicContact CE-CB 4.09Å; M43-L75 HydrophobicContact CE-CD2 3.83Å; M43-L75 HydrophobicContact CE-CG 4.48Å; L68-L75 WeakPolarHBondContact O-CB 3.34Å; L68-L75 VanDerWaalsContact O-CD1 3.31Å; L68-L75 WeakPolarHBondContact O-CD1 3.49Å; S72-L75 PolarHBondContact O-N 3.31Å; S72-L75 VanDerWaalsContact O-N 3.12Å; S72-L75 VanDerWaalsContact OG-CG 3.29Å; S72-L75 WeakPolarHBondContact OG-CG 3.4Å; S72-L75 PolarHBondContact OG-N 3.22Å; D73-L75 VanDerWaalsContact C-N 3.31Å; D73-L75 PolarHBondContact O-N 3.49Å; L75-A78 WeakPolarHBondContact O-CB 3.37Å; L75-A78 PolarHBondContact O-N 3.24Å; L75-V79 WeakPolarHBondContact O-CG2 2.97Å; L75-V79 PolarHBondContact O-N 2.97Å
76A93.3Very high91.9Very high0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-64.4-41.3170.300000111.8A69 S72 D73 A78 V79 V80 V110 L117A69-A76 HydrophobicContact CB-CB 4.36Å; S72-A76 PolarHBondContact O-N 3.36Å; D73-A76 PolarHBondContact O-N 3.09Å; A76-A78 VanDerWaalsContact C-N 3.33Å; A76-A78 PolarHBondContact O-N 3.44Å; A76-V79 WeakPolarHBondContact O-CB 3.45Å; A76-V79 PolarHBondContact O-N 3.22Å; A76-V80 PolarHBondContact O-N 3.22Å; A76-V80 VanDerWaalsContact O-N 3.14Å; A76-V110 HydrophobicContact CB-CG1 4.49Å; A76-V110 HydrophobicContact CB-CG2 4.26Å; A76-L117 HydrophobicContact CB-CD1 3.73Å
77E93.6Very high91.6Very high75 Ų7543.6 Ų43.635%0.3522%0.223SC..Hα-helixtrans-60.9-40.8171.3-78.2-173.2-159.800112.3D73 V79 V80 K81 L117D73-E77 WeakPolarHBondContact O-CG 3.36Å; D73-E77 PolarHBondContact O-N 3.37Å; E77-V79 VanDerWaalsContact C-N 3.29Å; E77-V79 PolarHBondContact O-N 3.44Å; E77-V80 PolarHBondContact O-N 3.48Å; E77-V80 VanDerWaalsContact O-N 3.15Å; E77-K81 WeakPolarHBondContact O-CB 3.5Å; E77-K81 WeakPolarHBondContact O-CG 3.41Å; E77-K81 PolarHBondContact O-N 3.05Å; E77-K81 IonicContact OE2-NZ 2.77Å; E77-K81 PolarHBondContact OE2-NZ 3.2Å; E77-L117 HydrophobicContact CG-CD2 3.98Å
78A92.1Very high91.3Very high11 Ų1140.6 Ų40.69%0.09121%0.212CC..Hα-helixtrans-60.5-41.1175.700000111.2N74 L75 A76 V80 K81 E82N74-A78 PolarHBondContact O-N 2.96Å; L75-A78 WeakPolarHBondContact O-CB 3.37Å; L75-A78 PolarHBondContact O-N 3.24Å; A76-A78 VanDerWaalsContact C-N 3.33Å; A76-A78 PolarHBondContact O-N 3.44Å; A78-V80 VanDerWaalsContact C-N 3.28Å; A78-V80 PolarHBondContact O-N 3.08Å; A78-K81 PolarHBondContact O-N 3.21Å; A78-E82 WeakPolarHBondContact O-CB 3.29Å; A78-E82 WeakPolarHBondContact O-CG 3.49Å; A78-E82 PolarHBondContact O-N 3.43Å
79V92.5Very high91.2Very high0 Ų041.7 Ų41.70%022%0.219CC..Hα-helixtrans-60-38.4174.8169.50000112M43 L65 A69 L75 A76 E77 I84 L85 V106 V110M43-V79 HydrophobicContact CE-CG2 4.31Å; M43-V79 HydrophobicContact SD-CG2 4.29Å; L65-V79 HydrophobicContact CD2-CG2 4.47Å; A69-V79 HydrophobicContact CB-CG2 4.18Å; L75-V79 WeakPolarHBondContact O-CG2 2.97Å; L75-V79 PolarHBondContact O-N 2.97Å; A76-V79 WeakPolarHBondContact O-CB 3.45Å; A76-V79 PolarHBondContact O-N 3.22Å; E77-V79 VanDerWaalsContact C-N 3.29Å; E77-V79 PolarHBondContact O-N 3.44Å; V79-I84 HydrophobicContact CG1-CB 3.93Å; V79-I84 HydrophobicContact CG1-CD1 4.47Å; V79-I84 HydrophobicContact CG1-CG2 3.93Å; V79-I84 HydrophobicContact CG2-CD1 4.38Å; V79-I84 WeakPolarHBondContact O-CB 3.18Å; V79-I84 PolarHBondContact O-N 3.18Å; V79-L85 HydrophobicContact CG1-CD2 3.87Å; V79-L85 HydrophobicContact CG1-CG 4.43Å; V79-V106 HydrophobicContact CG1-CG1 4.23Å; V79-V110 HydrophobicContact CB-CG2 4.21Å; V79-V110 HydrophobicContact CG1-CG2 3.86Å
80V93.2Very high90.8Very high42 Ų4250 Ų5026%0.25526%0.257SS..Hα-helixtrans-69.8-48.4175178.20000111.4A76 E77 A78 E82 D83 L85 V110 L117 A120A76-V80 PolarHBondContact O-N 3.22Å; A76-V80 VanDerWaalsContact O-N 3.14Å; E77-V80 PolarHBondContact O-N 3.48Å; E77-V80 VanDerWaalsContact O-N 3.15Å; A78-V80 VanDerWaalsContact C-N 3.28Å; A78-V80 PolarHBondContact O-N 3.08Å; V80-E82 PolarHBondContact O-N 3Å; V80-D83 PolarHBondContact O-N 3.35Å; V80-D83 VanDerWaalsContact O-N 3.15Å; V80-L85 HydrophobicContact CG2-CD1 3.82Å; V80-L85 HydrophobicContact CG2-CG 4.47Å; V80-V110 HydrophobicContact CG2-CG1 3.85Å; V80-L117 HydrophobicContact CB-CD2 4.48Å; V80-L117 HydrophobicContact CG2-CD2 3.67Å; V80-A120 HydrophobicContact CG1-CB 3.86Å; V80-A120 HydrophobicContact CG2-CB 4.02Å
81K91.1Very high90.1Very high151 Ų15148.7 Ų48.766%0.65725%0.252SS*.Hα-helixtrans-63.3-27.7-177.2-72.6170.4-171.4161.20113.2E77 A78 D83E77-K81 WeakPolarHBondContact O-CB 3.5Å; E77-K81 WeakPolarHBondContact O-CG 3.41Å; E77-K81 PolarHBondContact O-N 3.05Å; E77-K81 IonicContact OE2-NZ 2.77Å; E77-K81 PolarHBondContact OE2-NZ 3.2Å; A78-K81 PolarHBondContact O-N 3.21Å; K81-D83 VanDerWaalsContact C-N 3.32Å
82E88.1Confident89.8Confident46 Ų4645.8 Ų45.822%0.21524%0.238CC..THydrogen-bonded Turntrans-88.110.3178.4-70.3-169.9-157.600114.3M43 P44 R47 A78 V80 I84M43-E82 VanDerWaalsContact CB-CD 3.5Å; M43-E82 WeakPolarHBondContact CB-OE1 3.19Å; M43-E82 VanDerWaalsContact CB-OE2 3.25Å; M43-E82 WeakPolarHBondContact CB-OE2 3.39Å; P44-E82 WeakPolarHBondContact CD-OE2 3.47Å; P44-E82 VanDerWaalsContact N-OE2 3.14Å; R47-E82 VanDerWaalsContact CD-O 3.26Å; R47-E82 WeakPolarHBondContact CD-O 3.37Å; R47-E82 PolarHBondContact NE-O 2.98Å; R47-E82 VanDerWaalsContact NE-O 3.08Å; A78-E82 WeakPolarHBondContact O-CB 3.29Å; A78-E82 WeakPolarHBondContact O-CG 3.49Å; A78-E82 PolarHBondContact O-N 3.43Å; V80-E82 PolarHBondContact O-N 3Å; E82-I84 HydrophobicContact CB-CD1 4.05Å; E82-I84 HydrophobicContact CB-CG1 4.07Å; E82-I84 PolarHBondContact O-N 3.34Å
83D89.1Confident89.3Confident98 Ų9847.6 Ų47.652%0.52426%0.255SS..THydrogen-bonded Turntrans55.135.3-179.1-66.4-46.2000113.5V80 K81V80-D83 PolarHBondContact O-N 3.35Å; V80-D83 VanDerWaalsContact O-N 3.15Å; K81-D83 VanDerWaalsContact C-N 3.32Å
84I91.3Very high88.6Confident0 Ų048.9 Ų48.90%027%0.27CS..Hα-helixtrans-75.8-36.1178.3-68.8171.7000110.7R47 M50 L65 V79 E82 Q87 L88R47-I84 HydrophobicContact CB-CD1 4.17Å; R47-I84 HydrophobicContact CB-CG1 3.96Å; R47-I84 HydrophobicContact CG-CG1 3.88Å; M50-I84 HydrophobicContact SD-CG2 3.96Å; L65-I84 HydrophobicContact CD1-CD1 4.23Å; L65-I84 HydrophobicContact CD1-CG2 3.98Å; L65-I84 HydrophobicContact CD2-CD1 3.83Å; V79-I84 HydrophobicContact CG1-CB 3.93Å; V79-I84 HydrophobicContact CG1-CD1 4.47Å; V79-I84 HydrophobicContact CG1-CG2 3.93Å; V79-I84 HydrophobicContact CG2-CD1 4.38Å; V79-I84 WeakPolarHBondContact O-CB 3.18Å; V79-I84 PolarHBondContact O-N 3.18Å; E82-I84 HydrophobicContact CB-CD1 4.05Å; E82-I84 HydrophobicContact CB-CG1 4.07Å; E82-I84 PolarHBondContact O-N 3.34Å; I84-Q87 PolarHBondContact O-N 2.94Å; I84-L88 WeakPolarHBondContact O-CB 3.41Å; I84-L88 PolarHBondContact O-N 2.74Å
85L93.1Very high88.4Confident4 Ų445.6 Ų45.62%0.02125%0.251CS..Hα-helixtrans-63.2-49.8-176.4-55.7-176000113.8V79 V80 Q87 L88 V89 V106 L107 V110 A120 V121 C124V79-L85 HydrophobicContact CG1-CD2 3.87Å; V79-L85 HydrophobicContact CG1-CG 4.43Å; V80-L85 HydrophobicContact CG2-CD1 3.82Å; V80-L85 HydrophobicContact CG2-CG 4.47Å; L85-Q87 VanDerWaalsContact C-N 3.26Å; L85-Q87 PolarHBondContact O-N 3.11Å; L85-L88 WeakPolarHBondContact O-CB 3.47Å; L85-L88 PolarHBondContact O-N 3.29Å; L85-V89 WeakPolarHBondContact O-CG2 3.26Å; L85-V89 PolarHBondContact O-N 3.42Å; L85-V106 HydrophobicContact CD2-CG1 4.32Å; L85-L107 HydrophobicContact CD2-CD2 3.97Å; L85-V110 HydrophobicContact CD1-CG1 4.3Å; L85-V110 HydrophobicContact CD2-CG2 4.22Å; L85-A120 HydrophobicContact CD1-CB 4.37Å; L85-V121 HydrophobicContact CD1-CG2 3.85Å; L85-C124 HydrophobicContact CB-CB 4.29Å
86P91.6Very high88.2Confident62 Ų6248 Ų4840%0.40326%0.264SS..Hα-helixtrans-60.9-37.7180-22.735000112.4V89 H90 C124P86-V89 PolarHBondContact O-N 3.3Å; P86-H90 WeakPolarHBondContact O-CB 3.44Å; P86-H90 PolarHBondContact O-N 3.15Å; P86-C124 HydrophobicContact CG-CB 4.09Å
87Q87.3Confident88Confident31 Ų3153.9 Ų53.915%0.14529%0.286CS..Hα-helixtrans-65-42.2177.4-174.6-173.4-38.900111.9R47 L51 I84 L85 S91R47-Q87 PolarHBondContact O-NE2 3.46Å; L51-Q87 HydrophobicContact CD2-CG 3.88Å; L51-Q87 VanDerWaalsContact CD2-NE2 3.31Å; I84-Q87 PolarHBondContact O-N 2.94Å; L85-Q87 VanDerWaalsContact C-N 3.26Å; L85-Q87 PolarHBondContact O-N 3.11Å; Q87-S91 PolarHBondContact O-N 3.26Å; Q87-S91 PolarHBondContact O-OG 2.93Å
88L88.9Confident87.8Confident0 Ų055.1 Ų55.10%029%0.29CS..Hα-helixtrans-63.9-45.4176.5-174.2155.4000111.1M50 I84 L85 S91 L92 A103 V106 L107M50-L88 HydrophobicContact CE-CB 3.82Å; M50-L88 HydrophobicContact CE-CD1 3.94Å; M50-L88 HydrophobicContact CE-CG 3.96Å; I84-L88 WeakPolarHBondContact O-CB 3.41Å; I84-L88 PolarHBondContact O-N 2.74Å; L85-L88 WeakPolarHBondContact O-CB 3.47Å; L85-L88 PolarHBondContact O-N 3.29Å; L88-S91 PolarHBondContact O-N 3.18Å; L88-S91 PolarHBondContact O-OG 3.34Å; L88-S91 VanDerWaalsContact O-OG 3.05Å; L88-L92 HydrophobicContact CD2-CD1 4.16Å; L88-L92 PolarHBondContact O-N 3.02Å; L88-A103 HydrophobicContact CD1-CB 4.31Å; L88-A103 HydrophobicContact CD2-CB 3.55Å; L88-A103 HydrophobicContact CG-CB 3.87Å; L88-V106 HydrophobicContact CD1-CB 3.51Å; L88-V106 HydrophobicContact CD1-CG1 3.65Å; L88-V106 HydrophobicContact CD1-CG2 3.76Å; L88-L107 HydrophobicContact CD2-CD1 4.18Å; L88-L107 HydrophobicContact CD2-CD2 3.94Å; L88-L107 HydrophobicContact CD2-CG 3.9Å
89V90.3Very high87.8Confident24 Ų2454.6 Ų54.615%0.14529%0.286CS..Hα-helixtrans-64.5-46.7179.3169.80000111.6L85 P86 S91 L92 L107 C124 A129L85-V89 WeakPolarHBondContact O-CG2 3.26Å; L85-V89 PolarHBondContact O-N 3.42Å; P86-V89 PolarHBondContact O-N 3.3Å; V89-S91 PolarHBondContact O-N 2.93Å; V89-L92 VanDerWaalsContact O-CB 3.32Å; V89-L92 WeakPolarHBondContact O-CB 3.33Å; V89-L92 PolarHBondContact O-N 3.31Å; V89-L92 VanDerWaalsContact O-N 3.08Å; V89-L107 HydrophobicContact CG2-CD2 4.39Å; V89-C124 WeakPolarHBondContact CG1-O 3.4Å; V89-A129 HydrophobicContact CG1-CB 3.98Å
90H85.1Confident87.8Confident173 Ų17355.3 Ų55.380%0.80129%0.289SS*.Hα-helixtrans-60.6-33.9-178.4-173.271.7000113P86P86-H90 WeakPolarHBondContact O-CB 3.44Å; P86-H90 PolarHBondContact O-N 3.15Å
91S79.5Confident87.8Confident19 Ų1956.2 Ų56.213%0.13329%0.289CS..Hα-helixtrans-84.7-12.5179.452.90000113.6Q87 L88 V89 A93 S94 Q95 Y99Q87-S91 PolarHBondContact O-N 3.26Å; Q87-S91 PolarHBondContact O-OG 2.93Å; L88-S91 PolarHBondContact O-N 3.18Å; L88-S91 PolarHBondContact O-OG 3.34Å; L88-S91 VanDerWaalsContact O-OG 3.05Å; V89-S91 PolarHBondContact O-N 2.93Å; S91-A93 PolarHBondContact O-N 2.91Å; S91-S94 PolarHBondContact O-OG 2.9Å; S91-Q95 WeakPolarHBondContact O-CG 3.34Å; S91-Y99 PolarHBondContact OG-OH 3.2Å
92L83.7Confident87.9Confident2 Ų249.4 Ų49.41%0.0126%0.261CS..Hα-helixtrans-66.3-38.2-165.4-167.8144.9000113.9L88 V89 K100 A103 A129 C133L88-L92 HydrophobicContact CD2-CD1 4.16Å; L88-L92 PolarHBondContact O-N 3.02Å; V89-L92 VanDerWaalsContact O-CB 3.32Å; V89-L92 WeakPolarHBondContact O-CB 3.33Å; V89-L92 PolarHBondContact O-N 3.31Å; V89-L92 VanDerWaalsContact O-N 3.08Å; L92-K100 WeakPolarHBondContact O-CE 3.42Å; L92-A103 HydrophobicContact CD1-CB 3.77Å; L92-A103 HydrophobicContact CG-CB 4.41Å; L92-A129 HydrophobicContact CD1-CB 4.25Å; L92-A129 HydrophobicContact CD2-CB 4.03Å; L92-A129 WeakPolarHBondContact CD2-O 3.27Å; L92-C133 WeakPolarHBondContact CD2-SG 3.35Å
93A76.9Confident88.1Confident69 Ų6947.2 Ų47.257%0.5725%0.251SS*.THydrogen-bonded Turntrans-68.1-38-175.800000113.8S91S91-A93 PolarHBondContact O-N 2.91Å
94S78.1Confident88.5Confident103 Ų10342.5 Ų42.572%0.7223%0.226SC*.THydrogen-bonded Turntrans-90.22.2-172.958.70000114.4S91S91-S94 PolarHBondContact O-OG 2.9Å
95Q85.9Confident88.7Confident44 Ų4443.8 Ų43.821%0.20623%0.232CC..SBendtrans-101.4166.3-169.9-72.3-70.1-14.800113.7S91 Y99 K100S91-Q95 WeakPolarHBondContact O-CG 3.34Å; Q95-Y99 HydrophobicContact CB-CD1 3.45Å; Q95-Y99 VanDerWaalsContact CB-CD1 3.45Å; Q95-Y99 HydrophobicContact CB-CE1 4.23Å; Q95-Y99 HydrophobicContact CB-CG 3.92Å; Q95-Y99 HydrophobicContact CG-CD1 3.61Å; Q95-Y99 HydrophobicContact CG-CE1 3.92Å; Q95-Y99 HydrophobicContact CG-CG 4.12Å; Q95-K100 VanDerWaalsContact O-CE 3.22Å; Q95-K100 WeakPolarHBondContact O-CE 3.49Å
96N87.3Confident88.8Confident54 Ų5443.6 Ų43.629%0.28923%0.231SC..  trans-73.3166.1179.372.945.7000112.4P55 F98 Y99 K100P55-N96 WeakPolarHBondContact CB-ND2 3.41Å; N96-F98 PolarHBondContact O-N 3.23Å; N96-F98 VanDerWaalsContact O-N 3.13Å; N96-F98 WeakPolarHBondContact OD1-CA 3.47Å; N96-F98 WeakPolarHBondContact OD1-CB 3.4Å; N96-F98 PolarHBondContact OD1-N 3.25Å; N96-Y99 PolarHBondContact O-N 3.18Å; N96-Y99 PolarHBondContact OD1-N 3.3Å; N96-K100 PolarHBondContact O-N 3.19Å
97R90Very high89.1Confident123 Ų12340.7 Ų40.746%0.46421%0.211SC..Hα-helixtrans-55.5-31.5-179.565.8170.9-178.8-176.7-6.7115K101 D138 V141R97-K101 VanDerWaalsContact O-CG 3.29Å; R97-K101 WeakPolarHBondContact O-CG 3.43Å; R97-K101 PolarHBondContact O-N 3.36Å; R97-K101 VanDerWaalsContact O-N 3.11Å; R97-D138 HydrophobicContact CB-CB 4.49Å; R97-D138 WeakPolarHBondContact CD-OD2 3.35Å; R97-D138 IonicContact CZ-OD2 3.5Å; R97-D138 IonicContact NE-OD2 2.69Å; R97-D138 IonicContact NH1-OD2 2.85Å; R97-D138 PolarHBondContact NH1-OD2 2.79Å; R97-V141 HydrophobicContact CB-CG2 3.88Å
98F89.7Confident89.5Confident101 Ų10141.1 Ų41.144%0.44321%0.212SC..Hα-helixtrans-76-41.1-177-63.3-74.6000110.6N96 K101 A102N96-F98 PolarHBondContact O-N 3.23Å; N96-F98 VanDerWaalsContact O-N 3.13Å; N96-F98 WeakPolarHBondContact OD1-CA 3.47Å; N96-F98 WeakPolarHBondContact OD1-CB 3.4Å; N96-F98 PolarHBondContact OD1-N 3.25Å; F98-K101 PolarHBondContact O-N 3.35Å; F98-A102 PolarHBondContact O-N 2.87Å
99Y90.6Very high89.9Confident1 Ų141.1 Ų41.10%0.00421%0.212CC..Hα-helixtrans-64-45.8172-173.3-91.1000110.9M50 Q58 Q59 A62 S91 Q95 N96 K101 A102 A103M50-Y99 HydrophobicContact CE-CE2 4.5Å; M50-Y99 VanDerWaalsContact CE-OH 3.24Å; M50-Y99 WeakPolarHBondContact CE-OH 3.33Å; Q58-Y99 HydrophobicContact CB-CD2 3.94Å; Q58-Y99 HydrophobicContact CB-CE2 3.96Å; Q59-Y99 HydrophobicContact CB-CD2 4.34Å; A62-Y99 HydrophobicContact CB-CE2 4.32Å; S91-Y99 PolarHBondContact OG-OH 3.2Å; Q95-Y99 HydrophobicContact CB-CD1 3.45Å; Q95-Y99 VanDerWaalsContact CB-CD1 3.45Å; Q95-Y99 HydrophobicContact CB-CE1 4.23Å; Q95-Y99 HydrophobicContact CB-CG 3.92Å; Q95-Y99 HydrophobicContact CG-CD1 3.61Å; Q95-Y99 HydrophobicContact CG-CE1 3.92Å; Q95-Y99 HydrophobicContact CG-CG 4.12Å; N96-Y99 PolarHBondContact O-N 3.18Å; N96-Y99 PolarHBondContact OD1-N 3.3Å; Y99-K101 VanDerWaalsContact C-N 3.3Å; Y99-K101 PolarHBondContact O-N 3.04Å; Y99-A102 PolarHBondContact O-N 3.37Å; Y99-A102 VanDerWaalsContact O-N 3.1Å; Y99-A103 HydrophobicContact CD1-CB 4.29Å; Y99-A103 HydrophobicContact CE1-CB 4.18Å; Y99-A103 WeakPolarHBondContact O-CB 3.47Å; Y99-A103 PolarHBondContact O-N 2.88Å
100K93.1Very high90.2Very high14 Ų1440 Ų406%0.06121%0.205CC..Hα-helixtrans-54.7-43.5175.9-71.7-179179.3173.90112.3L92 Q95 N96 A103 A104 E136 V141L92-K100 WeakPolarHBondContact O-CE 3.42Å; Q95-K100 VanDerWaalsContact O-CE 3.22Å; Q95-K100 WeakPolarHBondContact O-CE 3.49Å; N96-K100 PolarHBondContact O-N 3.19Å; K100-A103 PolarHBondContact O-N 3.5Å; K100-A104 WeakPolarHBondContact O-CB 3.29Å; K100-A104 PolarHBondContact O-N 3.47Å; K100-E136 HydrophobicContact CD-CG 4.22Å; K100-E136 IonicContact NZ-OE1 3.08Å; K100-E136 PolarHBondContact NZ-OE1 2.88Å; K100-E136 IonicContact NZ-OE2 3.71Å; K100-E136 PolarHBondContact NZ-OE2 3.29Å; K100-V141 HydrophobicContact CB-CG1 3.96Å; K100-V141 HydrophobicContact CB-CG2 4.33Å; K100-V141 HydrophobicContact CD-CG1 4.38Å
101K93.3Very high90.7Very high61 Ų6131.7 Ų31.727%0.26517%0.167SC..Hα-helixtrans-62.5-47.4174.1-72.7175.5-164.6-168.30112.7R97 F98 Y99 A103 F105 D138 G140 V141R97-K101 VanDerWaalsContact O-CG 3.29Å; R97-K101 WeakPolarHBondContact O-CG 3.43Å; R97-K101 PolarHBondContact O-N 3.36Å; R97-K101 VanDerWaalsContact O-N 3.11Å; F98-K101 PolarHBondContact O-N 3.35Å; Y99-K101 VanDerWaalsContact C-N 3.3Å; Y99-K101 PolarHBondContact O-N 3.04Å; K101-A103 VanDerWaalsContact C-N 3.31Å; K101-A103 PolarHBondContact O-N 2.86Å; K101-F105 WeakPolarHBondContact O-CB 3.2Å; K101-F105 PolarHBondContact O-N 3.42Å; K101-D138 WeakPolarHBondContact CE-OD1 3.34Å; K101-D138 IonicContact NZ-OD1 3.59Å; K101-D138 PolarHBondContact NZ-OD1 3.48Å; K101-D138 IonicContact NZ-OD2 3.06Å; K101-G140 VanDerWaalsContact CE-C 3.41Å; K101-V141 HydrophobicContact CD-CG2 4.48Å; K101-V141 HydrophobicContact CG-CG2 3.91Å
102A92.5Very high91.5Very high8 Ų833.7 Ų33.77%0.06617%0.173CC..Hα-helixtrans-63.9-40.6179.100000111.4Q59 A62 L63 F98 Y99 F105 V106Q59-A102 WeakPolarHBondContact O-CB 3.41Å; A62-A102 HydrophobicContact CB-CB 3.88Å; L63-A102 HydrophobicContact CB-CB 4.41Å; F98-A102 PolarHBondContact O-N 2.87Å; Y99-A102 PolarHBondContact O-N 3.37Å; Y99-A102 VanDerWaalsContact O-N 3.1Å; A102-F105 WeakPolarHBondContact O-CB 3.39Å; A102-F105 PolarHBondContact O-N 3.35Å; A102-V106 WeakPolarHBondContact O-CG2 3.43Å; A102-V106 PolarHBondContact O-N 3.35Å
103A93.9Very high92Very high0 Ų035.4 Ų35.40%018%0.181CC..Hα-helixtrans-63.2-51177.800000111.5L88 L92 Y99 K100 K101 F105 V106 L107L88-A103 HydrophobicContact CD1-CB 4.31Å; L88-A103 HydrophobicContact CD2-CB 3.55Å; L88-A103 HydrophobicContact CG-CB 3.87Å; L92-A103 HydrophobicContact CD1-CB 3.77Å; L92-A103 HydrophobicContact CG-CB 4.41Å; Y99-A103 HydrophobicContact CD1-CB 4.29Å; Y99-A103 HydrophobicContact CE1-CB 4.18Å; Y99-A103 WeakPolarHBondContact O-CB 3.47Å; Y99-A103 PolarHBondContact O-N 2.88Å; K100-A103 PolarHBondContact O-N 3.5Å; K101-A103 VanDerWaalsContact C-N 3.31Å; K101-A103 PolarHBondContact O-N 2.86Å; A103-F105 PolarHBondContact O-N 3.28Å; A103-V106 WeakPolarHBondContact O-CB 3.1Å; A103-V106 PolarHBondContact O-N 3.48Å; A103-V106 VanDerWaalsContact O-N 3.1Å; A103-L107 WeakPolarHBondContact O-CG 3.2Å; A103-L107 PolarHBondContact O-N 3.48Å
104A95.8Very high92.9Very high0 Ų033.2 Ų33.20%016%0.161CC..Hα-helixtrans-59-35.2173.900000112.2K100 L107 R108 L130 A144K100-A104 WeakPolarHBondContact O-CB 3.29Å; K100-A104 PolarHBondContact O-N 3.47Å; A104-L107 PolarHBondContact O-N 2.92Å; A104-R108 WeakPolarHBondContact O-CB 3.33Å; A104-R108 PolarHBondContact O-N 2.95Å; A104-L130 HydrophobicContact CB-CD2 3.79Å; A104-A144 HydrophobicContact CB-CB 3.86Å
105F95.8Very high93.8Very high27 Ų2731 Ų3112%0.11814%0.144CC..Hα-helixtrans-64.8-41.4174.1172.8-130.6000112.9L63 R67 D70 K101 A102 A103 R108 A109L63-F105 HydrophobicContact CD1-CD1 3.8Å; L63-F105 HydrophobicContact CD1-CE1 3.94Å; R67-F105 HydrophobicContact CG-CE1 3.95Å; R67-F105 HydrophobicContact CG-CZ 4.36Å; D70-F105 HydrophobicContact CB-CE2 4.33Å; D70-F105 HydrophobicContact CB-CZ 4.17Å; K101-F105 WeakPolarHBondContact O-CB 3.2Å; K101-F105 PolarHBondContact O-N 3.42Å; A102-F105 WeakPolarHBondContact O-CB 3.39Å; A102-F105 PolarHBondContact O-N 3.35Å; A103-F105 PolarHBondContact O-N 3.28Å; F105-R108 VanDerWaalsContact CD2-CZ 3.44Å; F105-R108 WeakPolarHBondContact O-CB 3.45Å; F105-R108 PolarHBondContact O-N 3.26Å; F105-A109 HydrophobicContact CE2-CB 4.28Å; F105-A109 VanDerWaalsContact O-CB 3.26Å; F105-A109 WeakPolarHBondContact O-CB 3.39Å; F105-A109 PolarHBondContact O-N 3.38Å
106V95.9Very high94.4Very high0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-60.8-48.7173.7177.60000110.6A62 L65 V79 L85 L88 A102 A103 R108 A109 V110A62-V106 WeakPolarHBondContact O-CG2 3.23Å; L65-V106 HydrophobicContact CB-CG2 4.35Å; V79-V106 HydrophobicContact CG1-CG1 4.23Å; L85-V106 HydrophobicContact CD2-CG1 4.32Å; L88-V106 HydrophobicContact CD1-CB 3.51Å; L88-V106 HydrophobicContact CD1-CG1 3.65Å; L88-V106 HydrophobicContact CD1-CG2 3.76Å; A102-V106 WeakPolarHBondContact O-CG2 3.43Å; A102-V106 PolarHBondContact O-N 3.35Å; A103-V106 WeakPolarHBondContact O-CB 3.1Å; A103-V106 PolarHBondContact O-N 3.48Å; A103-V106 VanDerWaalsContact O-N 3.1Å; V106-R108 VanDerWaalsContact C-N 3.29Å; V106-R108 PolarHBondContact O-N 3.14Å; V106-A109 PolarHBondContact O-N 3.37Å; V106-A109 VanDerWaalsContact O-N 3.12Å; V106-V110 HydrophobicContact CG1-CG2 4.47Å; V106-V110 WeakPolarHBondContact O-CG2 3.43Å; V106-V110 PolarHBondContact O-N 2.91Å
107L96.9Very high94.8Very high0 Ų033 Ų330%016%0.156CC..Hα-helixtrans-58.4-43.2179.1-63-176.4000111.3L85 L88 V89 A103 A104 S111 V121 L130L85-L107 HydrophobicContact CD2-CD2 3.97Å; L88-L107 HydrophobicContact CD2-CD1 4.18Å; L88-L107 HydrophobicContact CD2-CD2 3.94Å; L88-L107 HydrophobicContact CD2-CG 3.9Å; V89-L107 HydrophobicContact CG2-CD2 4.39Å; A103-L107 WeakPolarHBondContact O-CG 3.2Å; A103-L107 PolarHBondContact O-N 3.48Å; A104-L107 PolarHBondContact O-N 2.92Å; L107-S111 WeakPolarHBondContact O-CB 3.47Å; L107-S111 PolarHBondContact O-N 3.05Å; L107-S111 PolarHBondContact O-OG 3.1Å; L107-S111 VanDerWaalsContact O-OG 3.06Å; L107-V121 HydrophobicContact CB-CG1 4.22Å; L107-V121 HydrophobicContact CD2-CG1 4.06Å; L107-V121 HydrophobicContact CD2-CG2 4.39Å; L107-L130 HydrophobicContact CB-CD1 4.42Å; L107-L130 HydrophobicContact CD1-CD1 4.02Å; L107-L130 HydrophobicContact CD1-CD2 3.95Å; L107-L130 HydrophobicContact CD1-CG 3.82Å
108R96.6Very high95.2Very high40 Ų4027.1 Ų27.115%0.15113%0.134CC..Hα-helixtrans-61.1-47.4173.5-174.7-171.675.8-173.29.9112.4A104 F105 V106 V110 S111 K112 W147 A148 C151A104-R108 WeakPolarHBondContact O-CB 3.33Å; A104-R108 PolarHBondContact O-N 2.95Å; F105-R108 VanDerWaalsContact CD2-CZ 3.44Å; F105-R108 WeakPolarHBondContact O-CB 3.45Å; F105-R108 PolarHBondContact O-N 3.26Å; V106-R108 VanDerWaalsContact C-N 3.29Å; V106-R108 PolarHBondContact O-N 3.14Å; R108-V110 VanDerWaalsContact C-N 3.3Å; R108-V110 PolarHBondContact O-N 3.24Å; R108-S111 PolarHBondContact O-N 3.35Å; R108-S111 PolarHBondContact O-OG 3.04Å; R108-K112 VanDerWaalsContact O-CB 3.26Å; R108-K112 WeakPolarHBondContact O-CB 3.43Å; R108-K112 PolarHBondContact O-N 3.5Å; R108-W147 HydrophobicContact CG-CG 4.46Å; R108-W147 VanDerWaalsContact NH1-CD2 3.25Å; R108-A148 HydrophobicContact CB-CB 3.81Å; R108-C151 HydrophobicContact CG-CB 4.15Å
109A96.4Very high95.6Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-62.6-40.8-176.400000111G66 A69 D70 F105 V106 H113G66-A109 WeakPolarHBondContact O-CB 3.32Å; A69-A109 HydrophobicContact CB-CB 3.92Å; D70-A109 HydrophobicContact CB-CB 3.89Å; F105-A109 HydrophobicContact CE2-CB 4.28Å; F105-A109 VanDerWaalsContact O-CB 3.26Å; F105-A109 WeakPolarHBondContact O-CB 3.39Å; F105-A109 PolarHBondContact O-N 3.38Å; V106-A109 PolarHBondContact O-N 3.37Å; V106-A109 VanDerWaalsContact O-N 3.12Å; A109-H113 PolarHBondContact O-CD2 3.46Å; A109-H113 PolarHBondContact O-NE2 3.5Å
110V96.7Very high95.9Very high0 Ų026.8 Ų26.80%014%0.138CC..Hα-helixtrans-70.6-50175.81750000111.3A69 A76 V79 V80 L85 V106 R108 K112 L117 V121A69-V110 HydrophobicContact CB-CG2 3.98Å; A76-V110 HydrophobicContact CB-CG1 4.49Å; A76-V110 HydrophobicContact CB-CG2 4.26Å; V79-V110 HydrophobicContact CB-CG2 4.21Å; V79-V110 HydrophobicContact CG1-CG2 3.86Å; V80-V110 HydrophobicContact CG2-CG1 3.85Å; L85-V110 HydrophobicContact CD1-CG1 4.3Å; L85-V110 HydrophobicContact CD2-CG2 4.22Å; V106-V110 HydrophobicContact CG1-CG2 4.47Å; V106-V110 WeakPolarHBondContact O-CG2 3.43Å; V106-V110 PolarHBondContact O-N 2.91Å; R108-V110 VanDerWaalsContact C-N 3.3Å; R108-V110 PolarHBondContact O-N 3.24Å; V110-K112 PolarHBondContact O-N 3.39Å; V110-K112 VanDerWaalsContact O-N 3.16Å; V110-L117 HydrophobicContact CG1-CB 3.95Å; V110-L117 HydrophobicContact CG1-CD2 4.16Å; V110-L117 WeakPolarHBondContact O-CB 3.23Å; V110-V121 HydrophobicContact CB-CG2 4.26Å; V110-V121 HydrophobicContact CG1-CG2 4.01Å
111S96.8Very high96.1Very high0 Ų026.1 Ų26.10%014%0.135CC..Hα-helixtrans-66.2-19.5-177.368.60000113.5L107 R108 H113 C151 H155L107-S111 WeakPolarHBondContact O-CB 3.47Å; L107-S111 PolarHBondContact O-N 3.05Å; L107-S111 PolarHBondContact O-OG 3.1Å; L107-S111 VanDerWaalsContact O-OG 3.06Å; R108-S111 PolarHBondContact O-N 3.35Å; R108-S111 PolarHBondContact O-OG 3.04Å; S111-H113 VanDerWaalsContact C-N 3.32Å; S111-H113 PolarHBondContact O-N 2.95Å; S111-C151 VanDerWaalsContact OG-CB 3.29Å; S111-C151 WeakPolarHBondContact OG-CB 3.48Å; S111-H155 PolarHBondContact O-CD2 3.31Å; S111-H155 PolarHBondContact O-NE2 3.29Å
112K95.2Very high96.3Very high61 Ų6124.8 Ų24.827%0.26513%0.132SC..THydrogen-bonded Turntrans-63-33.6-177.5130.1-177.1168.3-171.90113.6D70 R108 V110 R154D70-K112 PolarHBondContact O-NZ 3.32Å; D70-K112 WeakPolarHBondContact OD1-CD 3.19Å; D70-K112 IonicContact OD1-NZ 2.84Å; D70-K112 PolarHBondContact OD1-NZ 2.9Å; D70-K112 IonicContact OD2-NZ 2.57Å; D70-K112 PolarHBondContact OD2-NZ 2.93Å; R108-K112 VanDerWaalsContact O-CB 3.26Å; R108-K112 WeakPolarHBondContact O-CB 3.43Å; R108-K112 PolarHBondContact O-N 3.5Å; V110-K112 PolarHBondContact O-N 3.39Å; V110-K112 VanDerWaalsContact O-N 3.16Å; K112-R154 VanDerWaalsContact CB-NH2 3.33Å; K112-R154 PolarHBondContact O-NH2 2.57Å
113H94.6Very high96.5Very high37 Ų3728.9 Ų28.917%0.17116%0.16CC..THydrogen-bonded Turntrans-85.5-47.6-161.3-65.4-64.5000114.2A69 D73 A109 S111 L117A69-H113 PolarHBondContact O-NE2 2.98Å; D73-H113 HydrophobicContact CB-CB 4.36Å; D73-H113 WeakPolarHBondContact OD1-CB 3.17Å; D73-H113 IonicContact OD1-CE1 3.57Å; D73-H113 IonicContact OD1-CG 2.56Å; D73-H113 IonicContact OD1-ND1 3.07Å; D73-H113 PolarHBondContact OD1-ND1 3.3Å; D73-H113 VanDerWaalsContact OD1-ND1 3.08Å; A109-H113 PolarHBondContact O-CD2 3.46Å; A109-H113 PolarHBondContact O-NE2 3.5Å; S111-H113 VanDerWaalsContact C-N 3.32Å; S111-H113 PolarHBondContact O-N 2.95Å; H113-L117 HydrophobicContact CB-CD1 3.87Å
114S96.3Very high96.5Very high23 Ų2330.2 Ų30.216%0.16117%0.169CC..  trans-143156.9-176.277.90000112.3D116 L117 A118S114-D116 PolarHBondContact O-N 3.11Å; S114-L117 PolarHBondContact O-N 3.49Å; S114-L117 WeakPolarHBondContact OG-CB 3.45Å; S114-L117 VanDerWaalsContact OG-CG 3.29Å; S114-L117 WeakPolarHBondContact OG-CG 3.46Å; S114-L117 PolarHBondContact OG-N 3.12Å; S114-L117 VanDerWaalsContact OG-N 3.15Å; S114-A118 PolarHBondContact O-N 3.31Å
115P96.9Very high96.5Very high57 Ų5731.3 Ų31.337%0.3718%0.18SC..Hα-helixtrans-59.9-34.1173.323.7-34000112.4A118 Q119 H155 L159P115-A118 PolarHBondContact O-N 2.88Å; P115-Q119 WeakPolarHBondContact O-CB 3.41Å; P115-Q119 PolarHBondContact O-N 3.11Å; P115-H155 HydrophobicContact CB-CB 4.24Å; P115-L159 HydrophobicContact CB-CD1 4.24Å
116D97.4Very high96.6Very high130 Ų13030 Ų3070%0.69518%0.175SC*.Hα-helixtrans-68.1-40.3179.3-61.5-35.8000112S114 Q119 A120S114-D116 PolarHBondContact O-N 3.11Å; D116-Q119 WeakPolarHBondContact O-CB 3.2Å; D116-Q119 PolarHBondContact O-N 3.26Å; D116-A120 PolarHBondContact O-N 2.96Å
117L97.1Very high96.7Very high9 Ų930.2 Ų30.25%0.04718%0.176CC..Hα-helixtrans-69.5-38.6175.3-69.7172.3000111.7A76 E77 V80 V110 H113 S114 Q119 A120 V121A76-L117 HydrophobicContact CB-CD1 3.73Å; E77-L117 HydrophobicContact CG-CD2 3.98Å; V80-L117 HydrophobicContact CB-CD2 4.48Å; V80-L117 HydrophobicContact CG2-CD2 3.67Å; V110-L117 HydrophobicContact CG1-CB 3.95Å; V110-L117 HydrophobicContact CG1-CD2 4.16Å; V110-L117 WeakPolarHBondContact O-CB 3.23Å; H113-L117 HydrophobicContact CB-CD1 3.87Å; S114-L117 PolarHBondContact O-N 3.49Å; S114-L117 WeakPolarHBondContact OG-CB 3.45Å; S114-L117 VanDerWaalsContact OG-CG 3.29Å; S114-L117 WeakPolarHBondContact OG-CG 3.46Å; S114-L117 PolarHBondContact OG-N 3.12Å; S114-L117 VanDerWaalsContact OG-N 3.15Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; L117-A120 WeakPolarHBondContact O-CB 3.21Å; L117-A120 PolarHBondContact O-N 3.22Å; L117-V121 PolarHBondContact O-N 2.76Å; L117-V121 VanDerWaalsContact O-N 3.17Å
118A97.4Very high96.6Very high0 Ų034.6 Ų34.60%020%0.199CC..Hα-helixtrans-62.4-40.517100000111.3S114 P115 A120 V121 V122 L159S114-A118 PolarHBondContact O-N 3.31Å; P115-A118 PolarHBondContact O-N 2.88Å; A118-A120 VanDerWaalsContact C-N 3.33Å; A118-A120 PolarHBondContact O-N 3.04Å; A118-V121 WeakPolarHBondContact O-CB 3.34Å; A118-V121 PolarHBondContact O-N 3.34Å; A118-V122 WeakPolarHBondContact O-CG2 3.39Å; A118-V122 PolarHBondContact O-N 3.5Å; A118-L159 HydrophobicContact CB-CD1 3.68Å; A118-L159 HydrophobicContact CB-CD2 4.36Å
119Q97.9Very high96.6Very high73 Ų7333 Ų3334%0.34120%0.195SC..Hα-helixtrans-63.4-38174.8-173.558.462.400111.8P115 D116 L117 V121 V122 S123 L159P115-Q119 WeakPolarHBondContact O-CB 3.41Å; P115-Q119 PolarHBondContact O-N 3.11Å; D116-Q119 WeakPolarHBondContact O-CB 3.2Å; D116-Q119 PolarHBondContact O-N 3.26Å; L117-Q119 VanDerWaalsContact C-N 3.31Å; Q119-V121 VanDerWaalsContact C-N 3.3Å; Q119-V121 PolarHBondContact O-N 3.36Å; Q119-V122 WeakPolarHBondContact O-CB 3.27Å; Q119-V122 PolarHBondContact O-N 3.01Å; Q119-V122 VanDerWaalsContact O-N 3.14Å; Q119-S123 PolarHBondContact NE2-OG 3.37Å; Q119-S123 WeakPolarHBondContact O-CB 2.95Å; Q119-S123 PolarHBondContact O-N 3.29Å; Q119-S123 PolarHBondContact O-OG 3.44Å; Q119-S123 VanDerWaalsContact O-OG 3.07Å; Q119-L159 HydrophobicContact CB-CD2 4.15Å
120A97.3Very high96.6Very high23 Ų2333 Ų3319%0.1920%0.195CC..Hα-helixtrans-60.8-39.2173.900000112.3V80 L85 D116 L117 A118 S123 C124V80-A120 HydrophobicContact CG1-CB 3.86Å; V80-A120 HydrophobicContact CG2-CB 4.02Å; L85-A120 HydrophobicContact CD1-CB 4.37Å; D116-A120 PolarHBondContact O-N 2.96Å; L117-A120 WeakPolarHBondContact O-CB 3.21Å; L117-A120 PolarHBondContact O-N 3.22Å; A118-A120 VanDerWaalsContact C-N 3.33Å; A118-A120 PolarHBondContact O-N 3.04Å; A120-S123 PolarHBondContact O-N 3.07Å; A120-C124 PolarHBondContact O-N 3.29Å; A120-C124 VanDerWaalsContact O-N 3.11Å
121V97.4Very high96.7Very high0 Ų033.8 Ų33.80%020%0.2CC..Hα-helixtrans-64.8-39173.6173.70000111.6L85 L107 V110 L117 A118 Q119 C124 G126 I152L85-V121 HydrophobicContact CD1-CG2 3.85Å; L107-V121 HydrophobicContact CB-CG1 4.22Å; L107-V121 HydrophobicContact CD2-CG1 4.06Å; L107-V121 HydrophobicContact CD2-CG2 4.39Å; V110-V121 HydrophobicContact CB-CG2 4.26Å; V110-V121 HydrophobicContact CG1-CG2 4.01Å; L117-V121 PolarHBondContact O-N 2.76Å; L117-V121 VanDerWaalsContact O-N 3.17Å; A118-V121 WeakPolarHBondContact O-CB 3.34Å; A118-V121 PolarHBondContact O-N 3.34Å; Q119-V121 VanDerWaalsContact C-N 3.3Å; Q119-V121 PolarHBondContact O-N 3.36Å; V121-C124 PolarHBondContact O-SG 3.25Å; V121-G126 VanDerWaalsContact O-CA 3.3Å; V121-G126 WeakPolarHBondContact O-CA 3.4Å; V121-G126 PolarHBondContact O-N 3.24Å; V121-I152 HydrophobicContact CB-CD1 4.5Å; V121-I152 HydrophobicContact CG1-CD1 3.72Å; V121-I152 HydrophobicContact CG1-CG1 4.46Å
122V97.5Very high96.6Very high32 Ų3238 Ų3819%0.19422%0.222CC..Hα-helixtrans-64.4-49.4173.7176.70000110.5A118 Q119 C124 G125 V127 I152 L159 A162A118-V122 WeakPolarHBondContact O-CG2 3.39Å; A118-V122 PolarHBondContact O-N 3.5Å; Q119-V122 WeakPolarHBondContact O-CB 3.27Å; Q119-V122 PolarHBondContact O-N 3.01Å; Q119-V122 VanDerWaalsContact O-N 3.14Å; V122-C124 PolarHBondContact O-N 3.12Å; V122-G125 PolarHBondContact O-N 3.21Å; V122-V127 HydrophobicContact CB-CG2 4.37Å; V122-V127 HydrophobicContact CG2-CG2 3.75Å; V122-I152 HydrophobicContact CG2-CG2 3.88Å; V122-L159 HydrophobicContact CG2-CD2 3.73Å; V122-A162 HydrophobicContact CG1-CB 4Å; V122-A162 HydrophobicContact CG2-CB 4.43Å
123S96.6Very high96.6Very high95 Ų9535.2 Ų35.266%0.66421%0.21SC*.Hα-helixtrans-63.8-24.4-176-65.80000113.9Q119 A120 G125Q119-S123 PolarHBondContact NE2-OG 3.37Å; Q119-S123 WeakPolarHBondContact O-CB 2.95Å; Q119-S123 PolarHBondContact O-N 3.29Å; Q119-S123 PolarHBondContact O-OG 3.44Å; Q119-S123 VanDerWaalsContact O-OG 3.07Å; A120-S123 PolarHBondContact O-N 3.07Å; S123-G125 VanDerWaalsContact C-N 3.33Å
124C94.6Very high96.7Very high27 Ų2733.6 Ų33.618%0.18220%0.202CC..THydrogen-bonded Turntrans-89.19.5174.875.90000114.1L85 P86 V89 A120 V121 V122 G126L85-C124 HydrophobicContact CB-CB 4.29Å; P86-C124 HydrophobicContact CG-CB 4.09Å; V89-C124 WeakPolarHBondContact CG1-O 3.4Å; A120-C124 PolarHBondContact O-N 3.29Å; A120-C124 VanDerWaalsContact O-N 3.11Å; V121-C124 PolarHBondContact O-SG 3.25Å; V122-C124 PolarHBondContact O-N 3.12Å; C124-G126 VanDerWaalsContact C-N 3.32Å
125G95.9Very high96.7Very high23 Ų2338.2 Ų38.224%0.23722%0.222CC..THydrogen-bonded Turntrans7519.3-176.900000113.9V122 S123 V127 A129V122-G125 PolarHBondContact O-N 3.21Å; S123-G125 VanDerWaalsContact C-N 3.33Å; G125-V127 VanDerWaalsContact C-N 3.31Å; G125-V127 PolarHBondContact O-N 3.4Å; G125-A129 PolarHBondContact O-N 2.85Å
126G96.6Very high96.5Very high0 Ų038.5 Ų38.50%022%0.218CC..Hα-helixtrans-65.8-32.2-177.800000113.1V121 C124 L130V121-G126 VanDerWaalsContact O-CA 3.3Å; V121-G126 WeakPolarHBondContact O-CA 3.4Å; V121-G126 PolarHBondContact O-N 3.24Å; C124-G126 VanDerWaalsContact C-N 3.32Å; G126-L130 WeakPolarHBondContact O-CB 3.34Å; G126-L130 WeakPolarHBondContact O-CD1 3.11Å; G126-L130 WeakPolarHBondContact O-CG 3.11Å; G126-L130 PolarHBondContact O-N 3.36Å
127V97.5Very high96.3Very high4 Ų442 Ų422%0.02423%0.227CC..Hα-helixtrans-65.1-50.1178.1179.50000110.8V122 G125 A129 L130 V131 L149 I152 V163 A166V122-V127 HydrophobicContact CB-CG2 4.37Å; V122-V127 HydrophobicContact CG2-CG2 3.75Å; G125-V127 VanDerWaalsContact C-N 3.31Å; G125-V127 PolarHBondContact O-N 3.4Å; V127-A129 VanDerWaalsContact C-N 3.28Å; V127-A129 PolarHBondContact O-N 3.01Å; V127-L130 WeakPolarHBondContact O-CA 3.31Å; V127-L130 WeakPolarHBondContact O-CB 3.45Å; V127-L130 PolarHBondContact O-N 2.96Å; V127-V131 HydrophobicContact CG1-CG2 4.45Å; V127-V131 WeakPolarHBondContact O-CG2 3.39Å; V127-V131 PolarHBondContact O-N 3.41Å; V127-L149 HydrophobicContact CG1-CD2 3.91Å; V127-I152 HydrophobicContact CG2-CD1 3.97Å; V127-V163 HydrophobicContact CG1-CG2 4.29Å; V127-V163 HydrophobicContact CG2-CG2 4.48Å; V127-A166 HydrophobicContact CB-CB 4.45Å; V127-A166 HydrophobicContact CG1-CB 3.42Å; V127-A166 VanDerWaalsContact CG1-CB 3.42Å
128D96.6Very high96.2Very high92 Ų9243 Ų4349%0.49223%0.233SC..Hα-helixtrans-58.7-42179.1-56-66.5000111.5L130 V131 L132D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 3.45Å; D128-V131 PolarHBondContact O-N 2.92Å; D128-L132 WeakPolarHBondContact O-CG 3.4Å; D128-L132 PolarHBondContact O-N 3.36Å
129A95.8Very high96.1Very high8 Ų844.5 Ų44.57%0.06624%0.242CC..Hα-helixtrans-63.8-36.4175.800000113.1V89 L92 G125 V127 C133V89-A129 HydrophobicContact CG1-CB 3.98Å; L92-A129 HydrophobicContact CD1-CB 4.25Å; L92-A129 HydrophobicContact CD2-CB 4.03Å; L92-A129 WeakPolarHBondContact CD2-O 3.27Å; G125-A129 PolarHBondContact O-N 2.85Å; V127-A129 VanDerWaalsContact C-N 3.28Å; V127-A129 PolarHBondContact O-N 3.01Å; A129-C133 PolarHBondContact O-N 3.02Å
130L97.1Very high96Very high0 Ų042.1 Ų42.10%024%0.238CC..Hα-helixtrans-70.9-35.9174.7-70.6167.4000111.9A104 L107 G126 V127 D128 C133 L134 A145 A148 L149 I152A104-L130 HydrophobicContact CB-CD2 3.79Å; L107-L130 HydrophobicContact CB-CD1 4.42Å; L107-L130 HydrophobicContact CD1-CD1 4.02Å; L107-L130 HydrophobicContact CD1-CD2 3.95Å; L107-L130 HydrophobicContact CD1-CG 3.82Å; G126-L130 WeakPolarHBondContact O-CB 3.34Å; G126-L130 WeakPolarHBondContact O-CD1 3.11Å; G126-L130 WeakPolarHBondContact O-CG 3.11Å; G126-L130 PolarHBondContact O-N 3.36Å; V127-L130 WeakPolarHBondContact O-CA 3.31Å; V127-L130 WeakPolarHBondContact O-CB 3.45Å; V127-L130 PolarHBondContact O-N 2.96Å; D128-L130 VanDerWaalsContact C-N 3.33Å; D128-L130 PolarHBondContact O-N 3.45Å; L130-C133 WeakPolarHBondContact O-CB 3.32Å; L130-C133 PolarHBondContact O-N 3.32Å; L130-L134 PolarHBondContact O-N 2.84Å; L130-A145 HydrophobicContact CD2-CB 4.11Å; L130-A148 HydrophobicContact CD1-CB 3.64Å; L130-A148 HydrophobicContact CD2-CB 3.67Å; L130-A148 HydrophobicContact CG-CB 4.32Å; L130-L149 HydrophobicContact CB-CD1 4.27Å; L130-L149 HydrophobicContact CB-CD2 3.8Å; L130-L149 HydrophobicContact CB-CG 3.9Å; L130-L149 HydrophobicContact CD1-CD2 4.01Å; L130-L149 HydrophobicContact CD1-CG 4.21Å; L130-I152 HydrophobicContact CD1-CD1 4Å
131V97.1Very high96Very high15 Ų1541.1 Ų41.19%0.09123%0.229CC..Hα-helixtrans-62-45.6174.1171.80000110.4V127 D128 C133 L134 A166 A168 L171V127-V131 HydrophobicContact CG1-CG2 4.45Å; V127-V131 WeakPolarHBondContact O-CG2 3.39Å; V127-V131 PolarHBondContact O-N 3.41Å; D128-V131 PolarHBondContact O-N 2.92Å; V131-C133 PolarHBondContact O-N 3.08Å; V131-L134 WeakPolarHBondContact O-CB 3.23Å; V131-L134 PolarHBondContact O-N 2.86Å; V131-A166 WeakPolarHBondContact CG1-O 3.5Å; V131-A166 HydrophobicContact CG2-CB 4Å; V131-A168 HydrophobicContact CG2-CB 3.84Å; V131-L171 HydrophobicContact CG1-CD1 3.68Å; V131-L171 WeakPolarHBondContact O-CD1 3.4Å
132L95.3Very high96Very high90 Ų9042.2 Ų42.247%0.47123%0.234SC..Hα-helixtrans-58.7-35.5173.8-67.2173.8000112.4D128 L134 E135D128-L132 WeakPolarHBondContact O-CG 3.4Å; D128-L132 PolarHBondContact O-N 3.36Å; L132-L134 VanDerWaalsContact C-N 3.25Å; L132-L134 PolarHBondContact O-N 2.71Å; L132-E135 WeakPolarHBondContact O-CB 3.41Å; L132-E135 PolarHBondContact O-N 3.08Å
133C95.9Very high96Very high1 Ų143.5 Ų43.51%0.00724%0.238CC..Hα-helixtrans-65.7-23.6174.3-85.50000114L92 A129 L130 V131 E135 E136 V141 A145L92-C133 WeakPolarHBondContact CD2-SG 3.35Å; A129-C133 PolarHBondContact O-N 3.02Å; L130-C133 WeakPolarHBondContact O-CB 3.32Å; L130-C133 PolarHBondContact O-N 3.32Å; V131-C133 PolarHBondContact O-N 3.08Å; C133-E135 PolarHBondContact O-N 3.18Å; C133-E136 WeakPolarHBondContact O-CB 3.41Å; C133-E136 PolarHBondContact O-N 2.74Å; C133-V141 HydrophobicContact CB-CG1 3.78Å; C133-A145 HydrophobicContact CB-CB 3.54Å
134L96.9Very high96.1Very high3 Ų339.7 Ų39.72%0.01621%0.212CC..Hα-helixtrans-71.7-21.3175-63.6176.4000112.3L130 V131 L132 E136 K142 A145 A146 L149 L171 L172L130-L134 PolarHBondContact O-N 2.84Å; V131-L134 WeakPolarHBondContact O-CB 3.23Å; V131-L134 PolarHBondContact O-N 2.86Å; L132-L134 VanDerWaalsContact C-N 3.25Å; L132-L134 PolarHBondContact O-N 2.71Å; L134-E136 VanDerWaalsContact C-N 3.35Å; L134-K142 VanDerWaalsContact O-CE 3.27Å; L134-K142 WeakPolarHBondContact O-CE 3.21Å; L134-A145 HydrophobicContact CD2-CB 4Å; L134-A145 HydrophobicContact CG-CB 4.39Å; L134-A146 HydrophobicContact CD2-CB 4.03Å; L134-L149 HydrophobicContact CD1-CD1 3.7Å; L134-L149 HydrophobicContact CG-CD1 4.27Å; L134-L171 HydrophobicContact CB-CB 3.86Å; L134-L171 HydrophobicContact CB-CD1 3.89Å; L134-L171 HydrophobicContact CD1-CB 3.82Å; L134-L171 HydrophobicContact CD1-CD1 4.42Å; L134-L172 HydrophobicContact CD1-CD2 4.04Å; L134-L172 HydrophobicContact CD1-CG 4.02Å; L134-L172 HydrophobicContact CD2-CD2 4.26Å
135E95Very high96.2Very high121 Ų12138.4 Ų38.457%0.56520%0.204SC*.THydrogen-bonded Turntrans-81.7-13.7177.3-55.7-174.4142.600112.9L132 C133 L171L132-E135 WeakPolarHBondContact O-CB 3.41Å; L132-E135 PolarHBondContact O-N 3.08Å; C133-E135 PolarHBondContact O-N 3.18Å; E135-L171 HydrophobicContact CG-CD1 3.71Å; E135-L171 HydrophobicContact CG-CD2 4.21Å
136E94.1Very high96.4Very high62 Ų6237.3 Ų37.329%0.2919%0.192SC..SBendtrans-66.9146.8-178.5-68.8-77.6128.200112.8K100 C133 L134 D138 V141 K142K100-E136 HydrophobicContact CD-CG 4.22Å; K100-E136 IonicContact NZ-OE1 3.08Å; K100-E136 PolarHBondContact NZ-OE1 2.88Å; K100-E136 IonicContact NZ-OE2 3.71Å; K100-E136 PolarHBondContact NZ-OE2 3.29Å; C133-E136 WeakPolarHBondContact O-CB 3.41Å; C133-E136 PolarHBondContact O-N 2.74Å; L134-E136 VanDerWaalsContact C-N 3.35Å; E136-D138 VanDerWaalsContact C-N 3.32Å; E136-D138 PolarHBondContact O-N 3.31Å; E136-V141 HydrophobicContact CB-CB 4.32Å; E136-V141 HydrophobicContact CB-CG1 4.11Å; E136-V141 HydrophobicContact CG-CG1 4.05Å; E136-K142 WeakPolarHBondContact O-CE 3.4Å
137F92.6Very high96.4Very high205 Ų20542.3 Ų42.390%0.89921%0.211SC*.SBendtrans-68.4-24.1179.3-65.7-77000114.9P139F137-P139 VanDerWaalsContact O-CD 3.27Å; F137-P139 WeakPolarHBondContact O-CD 3.35Å
138D95.3Very high96.5Very high29 Ų2942.1 Ų42.116%0.15521%0.21CC..  trans-80.2115.6-175.8-174-77.1000110.6R97 K101 E136 G140 V141 K142R97-D138 HydrophobicContact CB-CB 4.49Å; R97-D138 WeakPolarHBondContact CD-OD2 3.35Å; R97-D138 IonicContact CZ-OD2 3.5Å; R97-D138 IonicContact NE-OD2 2.69Å; R97-D138 IonicContact NH1-OD2 2.85Å; R97-D138 PolarHBondContact NH1-OD2 2.79Å; K101-D138 WeakPolarHBondContact CE-OD1 3.34Å; K101-D138 IonicContact NZ-OD1 3.59Å; K101-D138 PolarHBondContact NZ-OD1 3.48Å; K101-D138 IonicContact NZ-OD2 3.06Å; E136-D138 VanDerWaalsContact C-N 3.32Å; E136-D138 PolarHBondContact O-N 3.31Å; D138-G140 PolarHBondContact O-N 3.02Å; D138-G140 VanDerWaalsContact O-N 3.11Å; D138-G140 WeakPolarHBondContact OD1-CA 3.41Å; D138-G140 PolarHBondContact OD1-N 3.39Å; D138-V141 HydrophobicContact CB-CB 4.38Å; D138-V141 HydrophobicContact CB-CG2 3.89Å; D138-V141 WeakPolarHBondContact O-CB 3.37Å; D138-V141 PolarHBondContact O-N 3.06Å; D138-V141 PolarHBondContact OD1-N 3.19Å; D138-K142 PolarHBondContact O-N 2.84Å
139P95.1Very high96.6Very high31 Ų3137.7 Ų37.720%0.20119%0.187CC..Hα-helixtrans-61.3-27.2-175.9-24.935000113.5F137 V141 K142 E143 E180 L183F137-P139 VanDerWaalsContact O-CD 3.27Å; F137-P139 WeakPolarHBondContact O-CD 3.35Å; P139-V141 VanDerWaalsContact C-N 3.33Å; P139-K142 PolarHBondContact O-N 3.39Å; P139-E143 WeakPolarHBondContact O-CB 3.41Å; P139-E143 PolarHBondContact O-N 3.15Å; P139-E180 HydrophobicContact CB-CB 4.31Å; P139-E180 HydrophobicContact CB-CG 3.67Å; P139-E180 VanDerWaalsContact CG-CD 3.45Å; P139-E180 HydrophobicContact CG-CG 4.07Å; P139-L183 HydrophobicContact CB-CD2 4.38Å
140G96.6Very high96.7Very high24 Ų2437.4 Ų37.425%0.24718%0.184CC..Hα-helixtrans-73.1-26.2176.900000113K101 D138 A144K101-G140 VanDerWaalsContact CE-C 3.41Å; D138-G140 PolarHBondContact O-N 3.02Å; D138-G140 VanDerWaalsContact O-N 3.11Å; D138-G140 WeakPolarHBondContact OD1-CA 3.41Å; D138-G140 PolarHBondContact OD1-N 3.39Å; G140-A144 WeakPolarHBondContact O-CB 3.43Å; G140-A144 PolarHBondContact O-N 3.3Å; G140-A144 VanDerWaalsContact O-N 3.14Å
141V96.4Very high96.7Very high1 Ų137.6 Ų37.61%0.00619%0.185CC..Hα-helixtrans-71.7-47.1171.8178.40000108.8R97 K100 K101 C133 E136 D138 P139 E143 A144 A145R97-V141 HydrophobicContact CB-CG2 3.88Å; K100-V141 HydrophobicContact CB-CG1 3.96Å; K100-V141 HydrophobicContact CB-CG2 4.33Å; K100-V141 HydrophobicContact CD-CG1 4.38Å; K101-V141 HydrophobicContact CD-CG2 4.48Å; K101-V141 HydrophobicContact CG-CG2 3.91Å; C133-V141 HydrophobicContact CB-CG1 3.78Å; E136-V141 HydrophobicContact CB-CB 4.32Å; E136-V141 HydrophobicContact CB-CG1 4.11Å; E136-V141 HydrophobicContact CG-CG1 4.05Å; D138-V141 HydrophobicContact CB-CB 4.38Å; D138-V141 HydrophobicContact CB-CG2 3.89Å; D138-V141 WeakPolarHBondContact O-CB 3.37Å; D138-V141 PolarHBondContact O-N 3.06Å; D138-V141 PolarHBondContact OD1-N 3.19Å; P139-V141 VanDerWaalsContact C-N 3.33Å; V141-E143 VanDerWaalsContact C-N 3.29Å; V141-E143 PolarHBondContact O-N 3.48Å; V141-A144 PolarHBondContact O-N 3.14Å; V141-A145 WeakPolarHBondContact O-CB 3.19Å; V141-A145 PolarHBondContact O-N 3.49Å
142K97.9Very high96.8Very high23 Ų2336.9 Ų36.910%0.118%0.181CC..Hα-helixtrans-55.6-44.5173.7-58.6-170.2-178.6-170.90111.8L134 E136 D138 P139 A145 A146 E178 L183L134-K142 VanDerWaalsContact O-CE 3.27Å; L134-K142 WeakPolarHBondContact O-CE 3.21Å; E136-K142 WeakPolarHBondContact O-CE 3.4Å; D138-K142 PolarHBondContact O-N 2.84Å; P139-K142 PolarHBondContact O-N 3.39Å; K142-A145 PolarHBondContact O-N 3.27Å; K142-A146 VanDerWaalsContact O-CB 3.27Å; K142-A146 WeakPolarHBondContact O-CB 3.4Å; K142-A146 PolarHBondContact O-N 2.91Å; K142-E178 IonicContact NZ-OE1 3.79Å; K142-E178 PolarHBondContact NZ-OE1 2.92Å; K142-L183 HydrophobicContact CB-CD1 3.84Å; K142-L183 HydrophobicContact CB-CD2 4.04Å; K142-L183 HydrophobicContact CD-CD2 4.2Å
143E98.1Very high96.9Very high59 Ų5932.6 Ų32.628%0.27616%0.159SC..Hα-helixtrans-64-46.9-179.5-175.3-177.6134.100111.3P139 V141 A145 W147 G182 L183 I186P139-E143 WeakPolarHBondContact O-CB 3.41Å; P139-E143 PolarHBondContact O-N 3.15Å; V141-E143 VanDerWaalsContact C-N 3.29Å; V141-E143 PolarHBondContact O-N 3.48Å; E143-A145 VanDerWaalsContact C-N 3.3Å; E143-A145 PolarHBondContact O-N 3.08Å; E143-W147 WeakPolarHBondContact O-CB 3.46Å; E143-W147 PolarHBondContact O-N 3.07Å; E143-G182 VanDerWaalsContact OE2-C 3.25Å; E143-G182 WeakPolarHBondContact OE2-CA 3.06Å; E143-L183 HydrophobicContact CB-CB 4.36Å; E143-L183 HydrophobicContact CB-CD1 4Å; E143-L183 PolarHBondContact OE2-N 3.37Å; E143-L183 VanDerWaalsContact OE2-N 3.16Å; E143-I186 HydrophobicContact CG-CB 4.31Å; E143-I186 HydrophobicContact CG-CG1 3.88Å
144A97.3Very high97Very high16 Ų1636.4 Ų36.413%0.13217%0.173CC..Hα-helixtrans-61.9-40.7177.300000111.6A104 G140 V141 A148A104-A144 HydrophobicContact CB-CB 3.86Å; G140-A144 WeakPolarHBondContact O-CB 3.43Å; G140-A144 PolarHBondContact O-N 3.3Å; G140-A144 VanDerWaalsContact O-N 3.14Å; V141-A144 PolarHBondContact O-N 3.14Å; A144-A148 PolarHBondContact O-N 3.4Å; A144-A148 VanDerWaalsContact O-N 3.09Å
145A98Very high97Very high0 Ų038.9 Ų38.90%018%0.184CC..Hα-helixtrans-68.9-48.3179.500000112.7L130 C133 L134 V141 K142 E143 W147 A148 L149L130-A145 HydrophobicContact CD2-CB 4.11Å; C133-A145 HydrophobicContact CB-CB 3.54Å; L134-A145 HydrophobicContact CD2-CB 4Å; L134-A145 HydrophobicContact CG-CB 4.39Å; V141-A145 WeakPolarHBondContact O-CB 3.19Å; V141-A145 PolarHBondContact O-N 3.49Å; K142-A145 PolarHBondContact O-N 3.27Å; E143-A145 VanDerWaalsContact C-N 3.3Å; E143-A145 PolarHBondContact O-N 3.08Å; A145-W147 PolarHBondContact O-N 3.11Å; A145-A148 PolarHBondContact O-N 3.42Å; A145-A148 VanDerWaalsContact O-N 3.14Å; A145-L149 WeakPolarHBondContact O-CG 3.16Å; A145-L149 PolarHBondContact O-N 3.45Å
146A98.5Very high97.1Very high0 Ų035.7 Ų35.70%017%0.171CC..Hα-helixtrans-57.1-38.9176.100000111.6L134 K142 L149 G150 L172 I186 V187 T190L134-A146 HydrophobicContact CD2-CB 4.03Å; K142-A146 VanDerWaalsContact O-CB 3.27Å; K142-A146 WeakPolarHBondContact O-CB 3.4Å; K142-A146 PolarHBondContact O-N 2.91Å; A146-L149 PolarHBondContact O-N 3.1Å; A146-G150 PolarHBondContact O-N 2.88Å; A146-L172 HydrophobicContact CB-CD2 3.63Å; A146-I186 HydrophobicContact CB-CG2 3.86Å; A146-V187 HydrophobicContact CB-CG2 3.92Å; A146-T190 PolarHBondContact O-OG1 3.36Å
147W98.4Very high97.3Very high104 Ų10434.6 Ų34.639%0.39417%0.173SC..Hα-helixtrans-68-44.1177.5-161-10.9000111.9R108 E143 A145 L149 G150 C151 I186R108-W147 HydrophobicContact CG-CG 4.46Å; R108-W147 VanDerWaalsContact NH1-CD2 3.25Å; E143-W147 WeakPolarHBondContact O-CB 3.46Å; E143-W147 PolarHBondContact O-N 3.07Å; A145-W147 PolarHBondContact O-N 3.11Å; W147-L149 VanDerWaalsContact C-N 3.32Å; W147-L149 PolarHBondContact O-N 2.7Å; W147-G150 PolarHBondContact O-N 3.48Å; W147-C151 PolarHBondContact O-N 3.06Å; W147-I186 HydrophobicContact CB-CG2 3.61Å; W147-I186 HydrophobicContact CD2-CD1 3.75Å; W147-I186 HydrophobicContact CE3-CD1 3.79Å; W147-I186 HydrophobicContact CE3-CG1 4.33Å; W147-I186 HydrophobicContact CG-CD1 4.06Å; W147-I186 HydrophobicContact CG-CG2 4.19Å; W147-I186 HydrophobicContact CZ3-CD1 4.35Å; W147-I186 VanDerWaalsContact N-CG2 3.35Å
148A98.2Very high97.5Very high0 Ų028.7 Ų28.70%016%0.157CC..Hα-helixtrans-59.5-43.817600000111.7R108 L130 A144 A145 G150 C151 I152R108-A148 HydrophobicContact CB-CB 3.81Å; L130-A148 HydrophobicContact CD1-CB 3.64Å; L130-A148 HydrophobicContact CD2-CB 3.67Å; L130-A148 HydrophobicContact CG-CB 4.32Å; A144-A148 PolarHBondContact O-N 3.4Å; A144-A148 VanDerWaalsContact O-N 3.09Å; A145-A148 PolarHBondContact O-N 3.42Å; A145-A148 VanDerWaalsContact O-N 3.14Å; A148-G150 PolarHBondContact O-N 2.78Å; A148-C151 PolarHBondContact O-N 3.47Å; A148-I152 WeakPolarHBondContact O-CG1 3.36Å; A148-I152 PolarHBondContact O-N 2.94Å; A148-I152 VanDerWaalsContact O-N 3.11Å
149L98.6Very high97.7Very high0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-61.3-41.8175.2-68.5168000112V127 L130 L134 A145 A146 W147 C151 I152 A153 V163 A168 T190V127-L149 HydrophobicContact CG1-CD2 3.91Å; L130-L149 HydrophobicContact CB-CD1 4.27Å; L130-L149 HydrophobicContact CB-CD2 3.8Å; L130-L149 HydrophobicContact CB-CG 3.9Å; L130-L149 HydrophobicContact CD1-CD2 4.01Å; L130-L149 HydrophobicContact CD1-CG 4.21Å; L134-L149 HydrophobicContact CD1-CD1 3.7Å; L134-L149 HydrophobicContact CG-CD1 4.27Å; A145-L149 WeakPolarHBondContact O-CG 3.16Å; A145-L149 PolarHBondContact O-N 3.45Å; A146-L149 PolarHBondContact O-N 3.1Å; W147-L149 VanDerWaalsContact C-N 3.32Å; W147-L149 PolarHBondContact O-N 2.7Å; L149-C151 PolarHBondContact O-N 2.88Å; L149-I152 PolarHBondContact O-N 3.04Å; L149-A153 WeakPolarHBondContact O-CB 3.24Å; L149-A153 PolarHBondContact O-N 3.19Å; L149-V163 HydrophobicContact CB-CG1 4.3Å; L149-V163 HydrophobicContact CD2-CG1 4.14Å; L149-V163 HydrophobicContact CD2-CG2 4.15Å; L149-A168 HydrophobicContact CD1-CB 4.06Å; L149-T190 HydrophobicContact CB-CG2 4.36Å
150G98.1Very high97.8Very high1 Ų125.9 Ų25.91%0.0114%0.14CC..Hα-helixtrans-61.4-41.5173.800000112.8A146 W147 A148 I152 A153 R154A146-G150 PolarHBondContact O-N 2.88Å; W147-G150 PolarHBondContact O-N 3.48Å; A148-G150 PolarHBondContact O-N 2.78Å; G150-I152 VanDerWaalsContact C-N 3.26Å; G150-I152 PolarHBondContact O-N 3.41Å; G150-A153 PolarHBondContact O-N 3.36Å; G150-R154 VanDerWaalsContact O-CB 3.28Å; G150-R154 WeakPolarHBondContact O-CB 3.42Å; G150-R154 PolarHBondContact O-N 3.27Å
151C98.1Very high97.9Very high5 Ų527.8 Ų27.83%0.03414%0.142CC..Hα-helixtrans-64.3-27.4175.3-76.20000113.8R108 S111 W147 A148 L149 R154 H155R108-C151 HydrophobicContact CG-CB 4.15Å; S111-C151 VanDerWaalsContact OG-CB 3.29Å; S111-C151 WeakPolarHBondContact OG-CB 3.48Å; W147-C151 PolarHBondContact O-N 3.06Å; A148-C151 PolarHBondContact O-N 3.47Å; L149-C151 PolarHBondContact O-N 2.88Å; C151-R154 WeakPolarHBondContact O-CG 3.24Å; C151-H155 PolarHBondContact O-CD2 3.32Å; C151-H155 PolarHBondContact O-NE2 2.87Å
152I98.3Very high98Very high0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-77.8-54.3172.3-63.5164.7000109.7V121 V122 V127 L130 A148 L149 G150 R154 H155 L159 V163V121-I152 HydrophobicContact CB-CD1 4.5Å; V121-I152 HydrophobicContact CG1-CD1 3.72Å; V121-I152 HydrophobicContact CG1-CG1 4.46Å; V122-I152 HydrophobicContact CG2-CG2 3.88Å; V127-I152 HydrophobicContact CG2-CD1 3.97Å; L130-I152 HydrophobicContact CD1-CD1 4Å; A148-I152 WeakPolarHBondContact O-CG1 3.36Å; A148-I152 PolarHBondContact O-N 2.94Å; A148-I152 VanDerWaalsContact O-N 3.11Å; L149-I152 PolarHBondContact O-N 3.04Å; G150-I152 VanDerWaalsContact C-N 3.26Å; G150-I152 PolarHBondContact O-N 3.41Å; I152-R154 PolarHBondContact O-N 3.28Å; I152-H155 PolarHBondContact O-N 3.22Å; I152-L159 HydrophobicContact CG2-CB 4.12Å; I152-L159 HydrophobicContact CG2-CD2 4.35Å; I152-V163 HydrophobicContact CB-CG2 4.21Å; I152-V163 HydrophobicContact CG2-CG2 3.9Å
153A97.9Very high98Very high0 Ų027.8 Ų27.80%015%0.146CC..Hα-helixtrans-60.6-30.9-174.500000112.6L149 G150 H155 V163 I194 H197L149-A153 WeakPolarHBondContact O-CB 3.24Å; L149-A153 PolarHBondContact O-N 3.19Å; G150-A153 PolarHBondContact O-N 3.36Å; A153-H155 PolarHBondContact O-N 3.1Å; A153-H155 VanDerWaalsContact O-N 3.13Å; A153-V163 HydrophobicContact CB-CG2 4.3Å; A153-I194 HydrophobicContact CB-CG1 3.7Å; A153-H197 PolarHBondContact O-CD2 3.33Å; A153-H197 PolarHBondContact O-NE2 2.86Å
154R96.9Very high98Very high81 Ų8125.8 Ų25.831%0.30614%0.139SC..THydrogen-bonded Turntrans-65.5-17.4-173.674.2-176.2-178.91787.3115.7K112 G150 C151 I152 D193 K196K112-R154 VanDerWaalsContact CB-NH2 3.33Å; K112-R154 PolarHBondContact O-NH2 2.57Å; G150-R154 VanDerWaalsContact O-CB 3.28Å; G150-R154 WeakPolarHBondContact O-CB 3.42Å; G150-R154 PolarHBondContact O-N 3.27Å; C151-R154 WeakPolarHBondContact O-CG 3.24Å; I152-R154 PolarHBondContact O-N 3.28Å; R154-D193 HydrophobicContact CB-CB 3.99Å; R154-D193 VanDerWaalsContact CB-CG 3.48Å; R154-D193 VanDerWaalsContact CB-OD1 3.28Å; R154-D193 WeakPolarHBondContact CB-OD1 3.44Å; R154-K196 VanDerWaalsContact CA-NZ 3.27Å; R154-K196 VanDerWaalsContact CB-NZ 3.27Å; R154-K196 WeakPolarHBondContact O-CE 3.32Å; R154-K196 PolarHBondContact O-NZ 3.23Å
155H97.2Very high98Very high55 Ų5531.9 Ų31.926%0.25516%0.164SC..SBendtrans-80.5-52.5-169.4-77-68.6000113.5S111 P115 C151 I152 A153 L159S111-H155 PolarHBondContact O-CD2 3.31Å; S111-H155 PolarHBondContact O-NE2 3.29Å; P115-H155 HydrophobicContact CB-CB 4.24Å; C151-H155 PolarHBondContact O-CD2 3.32Å; C151-H155 PolarHBondContact O-NE2 2.87Å; I152-H155 PolarHBondContact O-N 3.22Å; A153-H155 PolarHBondContact O-N 3.1Å; A153-H155 VanDerWaalsContact O-N 3.13Å; H155-L159 HydrophobicContact CB-CD1 3.69Å
156N97.4Very high98Very high54 Ų5433 Ų3329%0.28917%0.174SC..  trans-156.7170.4-178.863.154.1000111.8S158 L159 S160 H197N156-S158 VanDerWaalsContact C-N 3.33Å; N156-S158 PolarHBondContact O-N 3.38Å; N156-S158 PolarHBondContact OD1-N 3.32Å; N156-S158 VanDerWaalsContact OD1-N 3.1Å; N156-L159 PolarHBondContact O-N 2.91Å; N156-L159 WeakPolarHBondContact OD1-CG 3.31Å; N156-L159 PolarHBondContact OD1-N 2.86Å; N156-S160 WeakPolarHBondContact O-CB 3.42Å; N156-S160 PolarHBondContact O-N 3.42Å; N156-H197 PolarHBondContact N-CE1 3.18Å
157A97.8Very high97.9Very high39 Ų3934.4 Ų34.432%0.32219%0.188SC..Hα-helixtrans-59-39.3-178.800000113.3S160 Q161 H197 T198A157-S160 PolarHBondContact O-N 3.01Å; A157-Q161 VanDerWaalsContact O-CB 3.23Å; A157-Q161 WeakPolarHBondContact O-CB 3.32Å; A157-Q161 PolarHBondContact O-N 3.16Å; A157-H197 HydrophobicContact CB-CB 3.99Å; A157-T198 HydrophobicContact CB-CG2 3.71Å
158S98.3Very high97.9Very high80 Ų8029.5 Ų29.556%0.55917%0.169SC*.Hα-helixtrans-67.1-43.5-177.9177.10000112.3N156 Q161 A162N156-S158 VanDerWaalsContact C-N 3.33Å; N156-S158 PolarHBondContact O-N 3.38Å; N156-S158 PolarHBondContact OD1-N 3.32Å; N156-S158 VanDerWaalsContact OD1-N 3.1Å; S158-Q161 WeakPolarHBondContact O-CB 3.5Å; S158-Q161 PolarHBondContact O-N 2.86Å; S158-A162 PolarHBondContact O-N 3.23Å
159L98.2Very high97.9Very high1 Ų129.6 Ų29.61%0.00517%0.17CC..Hα-helixtrans-68.3-38.4176.3-68.5170.8000111.7P115 A118 Q119 V122 I152 H155 N156 Q161 A162 V163P115-L159 HydrophobicContact CB-CD1 4.24Å; A118-L159 HydrophobicContact CB-CD1 3.68Å; A118-L159 HydrophobicContact CB-CD2 4.36Å; Q119-L159 HydrophobicContact CB-CD2 4.15Å; V122-L159 HydrophobicContact CG2-CD2 3.73Å; I152-L159 HydrophobicContact CG2-CB 4.12Å; I152-L159 HydrophobicContact CG2-CD2 4.35Å; H155-L159 HydrophobicContact CB-CD1 3.69Å; N156-L159 PolarHBondContact O-N 2.91Å; N156-L159 WeakPolarHBondContact OD1-CG 3.31Å; N156-L159 PolarHBondContact OD1-N 2.86Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-A162 PolarHBondContact O-N 3.44Å; L159-V163 PolarHBondContact O-N 2.91Å
160S98.1Very high97.9Very high0 Ų032.1 Ų32.10%019%0.187CC..Hα-helixtrans-63.8-39.7172.8-171.90000112N156 A157 V163 V164 I194N156-S160 WeakPolarHBondContact O-CB 3.42Å; N156-S160 PolarHBondContact O-N 3.42Å; A157-S160 PolarHBondContact O-N 3.01Å; S160-V163 PolarHBondContact O-N 3.37Å; S160-V164 WeakPolarHBondContact O-CG2 3.49Å; S160-V164 PolarHBondContact O-N 3.42Å; S160-V164 VanDerWaalsContact O-N 3.09Å; S160-I194 WeakPolarHBondContact OG-CA 3.29Å
161Q98.3Very high97.9Very high65 Ų6533.5 Ų33.530%0.30419%0.193SC..Hα-helixtrans-62.9-43.2175.8-175.96526.800111A157 S158 L159 V163 V164 E165 L201A157-Q161 VanDerWaalsContact O-CB 3.23Å; A157-Q161 WeakPolarHBondContact O-CB 3.32Å; A157-Q161 PolarHBondContact O-N 3.16Å; S158-Q161 WeakPolarHBondContact O-CB 3.5Å; S158-Q161 PolarHBondContact O-N 2.86Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; Q161-V163 VanDerWaalsContact C-N 3.29Å; Q161-V163 PolarHBondContact O-N 2.89Å; Q161-V164 PolarHBondContact O-N 3.23Å; Q161-E165 HydrophobicContact CG-CG 4.19Å; Q161-E165 VanDerWaalsContact CG-OE1 3.25Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.26Å; Q161-E165 PolarHBondContact NE2-OE1 3.28Å; Q161-E165 WeakPolarHBondContact O-CB 3.34Å; Q161-E165 WeakPolarHBondContact O-CG 3.48Å; Q161-E165 PolarHBondContact O-N 2.98Å; Q161-L201 HydrophobicContact CB-CD2 4.39Å; Q161-L201 VanDerWaalsContact OE1-CD2 3.27Å
162A98.3Very high97.9Very high23 Ų2333.2 Ų33.219%0.1919%0.192CC..Hα-helixtrans-58.7-38.8175.300000112.8V122 S158 L159 A166V122-A162 HydrophobicContact CG1-CB 4Å; V122-A162 HydrophobicContact CG2-CB 4.43Å; S158-A162 PolarHBondContact O-N 3.23Å; L159-A162 PolarHBondContact O-N 3.44Å; A162-A166 WeakPolarHBondContact O-CB 3.12Å; A162-A166 PolarHBondContact O-N 3.46Å; A162-A166 VanDerWaalsContact O-N 3.11Å
163V98.4Very high97.9Very high0 Ų033.5 Ų33.50%019%0.194CC..Hα-helixtrans-64.6-40.7174.5170.40000111.7V127 L149 I152 A153 L159 S160 Q161 A168 I194V127-V163 HydrophobicContact CG1-CG2 4.29Å; V127-V163 HydrophobicContact CG2-CG2 4.48Å; L149-V163 HydrophobicContact CB-CG1 4.3Å; L149-V163 HydrophobicContact CD2-CG1 4.14Å; L149-V163 HydrophobicContact CD2-CG2 4.15Å; I152-V163 HydrophobicContact CB-CG2 4.21Å; I152-V163 HydrophobicContact CG2-CG2 3.9Å; A153-V163 HydrophobicContact CB-CG2 4.3Å; L159-V163 PolarHBondContact O-N 2.91Å; S160-V163 PolarHBondContact O-N 3.37Å; Q161-V163 VanDerWaalsContact C-N 3.29Å; Q161-V163 PolarHBondContact O-N 2.89Å; V163-A168 HydrophobicContact CG1-CB 3.68Å; V163-A168 WeakPolarHBondContact O-CB 3.21Å; V163-A168 PolarHBondContact O-N 2.97Å; V163-I194 HydrophobicContact CG1-CD1 4.08Å
164V98Very high97.9Very high18 Ų1838.4 Ų38.411%0.10922%0.219CC..Hα-helixtrans-69.3-45.5178170.80000111.6S160 Q161 A166 G167 I194 L201 T204S160-V164 WeakPolarHBondContact O-CG2 3.49Å; S160-V164 PolarHBondContact O-N 3.42Å; S160-V164 VanDerWaalsContact O-N 3.09Å; Q161-V164 PolarHBondContact O-N 3.23Å; V164-A166 VanDerWaalsContact C-N 3.27Å; V164-A166 PolarHBondContact O-N 3.02Å; V164-G167 PolarHBondContact O-N 2.83Å; V164-I194 HydrophobicContact CG2-CG2 3.76Å; V164-L201 HydrophobicContact CB-CD2 4.17Å; V164-L201 HydrophobicContact CG2-CD2 3.63Å; V164-T204 HydrophobicContact CG1-CG2 3.62Å
165E97.6Very high97.9Very high143 Ų14334.6 Ų34.667%0.66821%0.205SC*.Hα-helixtrans-63.4-32179.9-74.2175178.200112.7Q161 G167Q161-E165 HydrophobicContact CG-CG 4.19Å; Q161-E165 VanDerWaalsContact CG-OE1 3.25Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.26Å; Q161-E165 PolarHBondContact NE2-OE1 3.28Å; Q161-E165 WeakPolarHBondContact O-CB 3.34Å; Q161-E165 WeakPolarHBondContact O-CG 3.48Å; Q161-E165 PolarHBondContact O-N 2.98Å; E165-G167 PolarHBondContact O-N 3.05Å
166A97.3Very high97.9Very high25 Ų2532 Ų3221%0.20719%0.193CC..THydrogen-bonded Turntrans-71.4-2.1172.900000113.8V127 V131 A162 V164V127-A166 HydrophobicContact CB-CB 4.45Å; V127-A166 HydrophobicContact CG1-CB 3.42Å; V127-A166 VanDerWaalsContact CG1-CB 3.42Å; V131-A166 WeakPolarHBondContact CG1-O 3.5Å; V131-A166 HydrophobicContact CG2-CB 4Å; A162-A166 WeakPolarHBondContact O-CB 3.12Å; A162-A166 PolarHBondContact O-N 3.46Å; A162-A166 VanDerWaalsContact O-N 3.11Å; V164-A166 VanDerWaalsContact C-N 3.27Å; V164-A166 PolarHBondContact O-N 3.02Å
167G97.3Very high97.8Very high29 Ų2934.4 Ų34.430%0.29921%0.205SC..THydrogen-bonded Turntrans82.619.1177.100000114.8V164 E165 T169 P170V164-G167 PolarHBondContact O-N 2.83Å; E165-G167 PolarHBondContact O-N 3.05Å; G167-T169 PolarHBondContact O-N 3.29Å; G167-P170 WeakPolarHBondContact O-CD 3.46Å; G167-P170 WeakPolarHBondContact O-CG 3.27Å
168A98.1Very high97.6Very high0 Ų035.2 Ų35.20%020%0.202CC..Hα-helixtrans-65.3-35.8-17900000113.5V131 L149 V163 L171 L172V131-A168 HydrophobicContact CG2-CB 3.84Å; L149-A168 HydrophobicContact CD1-CB 4.06Å; V163-A168 HydrophobicContact CG1-CB 3.68Å; V163-A168 WeakPolarHBondContact O-CB 3.21Å; V163-A168 PolarHBondContact O-N 2.97Å; A168-L171 PolarHBondContact O-N 3.47Å; A168-L172 HydrophobicContact CB-CD1 4.18Å; A168-L172 WeakPolarHBondContact O-CB 2.77Å; A168-L172 VanDerWaalsContact O-CG 3.29Å; A168-L172 WeakPolarHBondContact O-CG 3.33Å; A168-L172 PolarHBondContact O-N 3.22Å
169T98.1Very high97.5Very high2 Ų235.7 Ų35.71%0.01220%0.203CC..Hα-helixtrans-55.7-54.3-171.3-52.20000114.5G167 L171 L172 V173 V205 N208G167-T169 PolarHBondContact O-N 3.29Å; T169-L171 VanDerWaalsContact C-N 3.3Å; T169-L171 PolarHBondContact O-N 3.16Å; T169-L172 PolarHBondContact O-N 3.19Å; T169-V173 WeakPolarHBondContact O-CG2 3.35Å; T169-V173 PolarHBondContact O-N 3.35Å; T169-V205 HydrophobicContact CG2-CB 4.41Å; T169-V205 HydrophobicContact CG2-CG2 3.94Å; T169-N208 HydrophobicContact CG2-CB 4Å
170P98.2Very high97.4Very high54 Ų5439 Ų3935%0.35122%0.219SC..Hα-helixtrans-58.3-41.317819.8-32.4000112.4G167 V173 L174 N208G167-P170 WeakPolarHBondContact O-CD 3.46Å; G167-P170 WeakPolarHBondContact O-CG 3.27Å; P170-V173 PolarHBondContact O-N 3.05Å; P170-L174 WeakPolarHBondContact O-CG 3.04Å; P170-L174 PolarHBondContact O-N 3.39Å; P170-N208 WeakPolarHBondContact CB-OD1 3.29Å
171L98.4Very high97.3Very high29 Ų2942.9 Ų42.915%0.15224%0.238CC..Hα-helixtrans-67.5-39.8179.5-61.2-177.4000112V131 L134 E135 A168 T169 V173 L174 C175V131-L171 HydrophobicContact CG1-CD1 3.68Å; V131-L171 WeakPolarHBondContact O-CD1 3.4Å; L134-L171 HydrophobicContact CB-CB 3.86Å; L134-L171 HydrophobicContact CB-CD1 3.89Å; L134-L171 HydrophobicContact CD1-CB 3.82Å; L134-L171 HydrophobicContact CD1-CD1 4.42Å; E135-L171 HydrophobicContact CG-CD1 3.71Å; E135-L171 HydrophobicContact CG-CD2 4.21Å; A168-L171 PolarHBondContact O-N 3.47Å; T169-L171 VanDerWaalsContact C-N 3.3Å; T169-L171 PolarHBondContact O-N 3.16Å; L171-V173 VanDerWaalsContact C-N 3.34Å; L171-L174 HydrophobicContact CD2-CD1 4.39Å; L171-L174 PolarHBondContact O-N 3.13Å; L171-C175 PolarHBondContact O-N 3.25Å; L171-C175 PolarHBondContact O-SG 2.97Å
172L98.4Very high97.2Very high0 Ų040.9 Ų40.90%023%0.234CC..Hα-helixtrans-60.4-45172.8-72.5169.8000110.6L134 A146 A168 T169 L174 C175 L176 V187 T190 L191 I194L134-L172 HydrophobicContact CD1-CD2 4.04Å; L134-L172 HydrophobicContact CD1-CG 4.02Å; L134-L172 HydrophobicContact CD2-CD2 4.26Å; A146-L172 HydrophobicContact CB-CD2 3.63Å; A168-L172 HydrophobicContact CB-CD1 4.18Å; A168-L172 WeakPolarHBondContact O-CB 2.77Å; A168-L172 VanDerWaalsContact O-CG 3.29Å; A168-L172 WeakPolarHBondContact O-CG 3.33Å; A168-L172 PolarHBondContact O-N 3.22Å; T169-L172 PolarHBondContact O-N 3.19Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 3.15Å; L172-C175 WeakPolarHBondContact O-CB 3.3Å; L172-C175 PolarHBondContact O-N 3.32Å; L172-C175 VanDerWaalsContact O-N 3.1Å; L172-L176 PolarHBondContact O-N 2.73Å; L172-V187 HydrophobicContact CB-CG1 4.19Å; L172-V187 HydrophobicContact CD2-CG1 4.42Å; L172-V187 HydrophobicContact CD2-CG2 4.31Å; L172-V187 WeakPolarHBondContact O-CG1 3.3Å; L172-T190 HydrophobicContact CD1-CG2 3.7Å; L172-T190 HydrophobicContact CD2-CG2 4.15Å; L172-L191 HydrophobicContact CB-CD2 4.03Å; L172-L191 HydrophobicContact CD1-CD2 4.28Å; L172-I194 HydrophobicContact CD1-CD1 3.92Å
173V97.9Very high97.2Very high6 Ų639.8 Ų39.84%0.03623%0.225CC..Hα-helixtrans-62.5-39.8176.4177.90000111.4T169 P170 L171 C175 L176 L191 N208 A210T169-V173 WeakPolarHBondContact O-CG2 3.35Å; T169-V173 PolarHBondContact O-N 3.35Å; P170-V173 PolarHBondContact O-N 3.05Å; L171-V173 VanDerWaalsContact C-N 3.34Å; V173-C175 VanDerWaalsContact C-N 3.3Å; V173-C175 PolarHBondContact O-N 3.14Å; V173-L176 VanDerWaalsContact O-CB 3.25Å; V173-L176 WeakPolarHBondContact O-CB 3.38Å; V173-L176 PolarHBondContact O-N 3.1Å; V173-L176 VanDerWaalsContact O-N 3.13Å; V173-L191 HydrophobicContact CG2-CD1 4.45Å; V173-N208 WeakPolarHBondContact CG1-O 3.44Å; V173-N208 HydrophobicContact CG2-CB 4.09Å; V173-A210 HydrophobicContact CG2-CB 3.89Å
174L97.4Very high97.2Very high102 Ų10241.2 Ų41.253%0.53423%0.232SC..Hα-helixtrans-62.2-37.1173.3-69.3174.5000112.4P170 L171 L172 L176 L177P170-L174 WeakPolarHBondContact O-CG 3.04Å; P170-L174 PolarHBondContact O-N 3.39Å; L171-L174 HydrophobicContact CD2-CD1 4.39Å; L171-L174 PolarHBondContact O-N 3.13Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 3.15Å; L174-L176 PolarHBondContact O-N 3.24Å; L174-L177 HydrophobicContact CD2-CD1 4.36Å; L174-L177 WeakPolarHBondContact O-CB 3.47Å; L174-L177 PolarHBondContact O-N 3.03Å
175C97.7Very high97.2Very high1 Ų143.8 Ų43.81%0.00724%0.239CC..Hα-helixtrans-63.4-20.4176.4-66.20000113.3L171 L172 V173 L177 E178 L183 V187L171-C175 PolarHBondContact O-N 3.25Å; L171-C175 PolarHBondContact O-SG 2.97Å; L172-C175 WeakPolarHBondContact O-CB 3.3Å; L172-C175 PolarHBondContact O-N 3.32Å; L172-C175 VanDerWaalsContact O-N 3.1Å; V173-C175 VanDerWaalsContact C-N 3.3Å; V173-C175 PolarHBondContact O-N 3.14Å; C175-L177 PolarHBondContact O-N 2.92Å; C175-E178 PolarHBondContact O-N 3.31Å; C175-L183 HydrophobicContact CB-CD1 4.17Å; C175-L183 HydrophobicContact CB-CD2 4.14Å; C175-L183 HydrophobicContact CB-CG 4.18Å; C175-V187 HydrophobicContact CB-CG1 4.38Å; C175-V187 HydrophobicContact CB-CG2 3.62Å
176L96.9Very high97.2Very high1 Ų138.2 Ų38.21%0.00521%0.214CC..THydrogen-bonded Turntrans-66.7-21.3172.4-71.3-179.9000112.7L172 V173 L174 K184 V187 A188 L191 H213 L214 M217L172-L176 PolarHBondContact O-N 2.73Å; V173-L176 VanDerWaalsContact O-CB 3.25Å; V173-L176 WeakPolarHBondContact O-CB 3.38Å; V173-L176 PolarHBondContact O-N 3.1Å; V173-L176 VanDerWaalsContact O-N 3.13Å; L174-L176 PolarHBondContact O-N 3.24Å; L176-K184 WeakPolarHBondContact O-CE 3.49Å; L176-V187 HydrophobicContact CD2-CB 3.94Å; L176-V187 HydrophobicContact CD2-CG1 3.46Å; L176-V187 VanDerWaalsContact CD2-CG1 3.46Å; L176-V187 HydrophobicContact CG-CG1 3.62Å; L176-A188 HydrophobicContact CD2-CB 4.5Å; L176-L191 HydrophobicContact CD1-CD1 3.79Å; L176-L191 HydrophobicContact CG-CD1 4.41Å; L176-H213 HydrophobicContact CB-CB 4.29Å; L176-H213 HydrophobicContact CD1-CB 3.92Å; L176-L214 HydrophobicContact CD1-CD2 4.24Å; L176-L214 HydrophobicContact CD1-CG 4.34Å; L176-M217 HydrophobicContact CB-CE 3.47Å; L176-M217 VanDerWaalsContact CB-CE 3.47Å; L176-M217 HydrophobicContact CD1-CE 4.42Å; L176-M217 HydrophobicContact CD2-CE 3.71Å; L176-M217 HydrophobicContact CD2-SD 4.08Å; L176-M217 HydrophobicContact CG-CE 4.05Å; L176-M217 WeakPolarHBondContact O-CE 3.2Å
177L94.9Very high97.3Very high104 Ų10437 Ų3755%0.54520%0.204SC..THydrogen-bonded Turntrans-82-18.1-179.9-62175000113L174 C175L174-L177 HydrophobicContact CD2-CD1 4.36Å; L174-L177 WeakPolarHBondContact O-CB 3.47Å; L174-L177 PolarHBondContact O-N 3.03Å; C175-L177 PolarHBondContact O-N 2.92Å
178E95Very high97.3Very high57 Ų5735.7 Ų35.727%0.26619%0.19SC..SBendtrans-66.1148.4-177.9-62.9-73-169.500112.1K142 C175 E180 L183 K184K142-E178 IonicContact NZ-OE1 3.79Å; K142-E178 PolarHBondContact NZ-OE1 2.92Å; C175-E178 PolarHBondContact O-N 3.31Å; E178-E180 VanDerWaalsContact C-N 3.28Å; E178-E180 PolarHBondContact O-N 3.37Å; E178-L183 HydrophobicContact CB-CD2 3.81Å; E178-L183 HydrophobicContact CG-CD2 3.86Å; E178-K184 WeakPolarHBondContact O-CE 3.46Å; E178-K184 PolarHBondContact O-NZ 3.38Å
179P95.3Very high97.3Very high89 Ų8937.2 Ų37.258%0.57820%0.201SC*.SBendtrans-69.5-22.6-176.226.2-32.2000113.7M181P179-M181 PolarHBondContact O-N 2.88Å
180E96.1Very high97.4Very high70 Ų7037.2 Ų37.233%0.32720%0.201SC..  trans-69.5115.1-173.5-69.571.8-157.300112.9P139 E178 G182 L183 K184P139-E180 HydrophobicContact CB-CB 4.31Å; P139-E180 HydrophobicContact CB-CG 3.67Å; P139-E180 VanDerWaalsContact CG-CD 3.45Å; P139-E180 HydrophobicContact CG-CG 4.07Å; E178-E180 VanDerWaalsContact C-N 3.28Å; E178-E180 PolarHBondContact O-N 3.37Å; E180-G182 VanDerWaalsContact C-N 3.29Å; E180-G182 PolarHBondContact O-N 3.07Å; E180-L183 HydrophobicContact CB-CB 4.03Å; E180-L183 PolarHBondContact O-N 3.16Å; E180-K184 PolarHBondContact O-N 3.08Å
181M95.8Very high97.4Very high83 Ų8334.7 Ų34.741%0.40918%0.184SC..Hα-helixtrans-65-31.2179.3-66.9-64.8151.700113.3P179 K184 R185 L225P179-M181 PolarHBondContact O-N 2.88Å; M181-K184 HydrophobicContact CE-CD 4.37Å; M181-K184 HydrophobicContact SD-CD 4.21Å; M181-R185 WeakPolarHBondContact O-CD 3.38Å; M181-R185 WeakPolarHBondContact O-CG 3.25Å; M181-R185 PolarHBondContact O-N 2.91Å; M181-R185 VanDerWaalsContact O-N 3.08Å; M181-L225 HydrophobicContact SD-CD2 4.25Å
182G96.6Very high97.4Very high22 Ų2233.6 Ų33.623%0.22718%0.179CC..Hα-helixtrans-59.6-53.3174.500000111.1E143 E180 K184 R185 I186E143-G182 VanDerWaalsContact OE2-C 3.25Å; E143-G182 WeakPolarHBondContact OE2-CA 3.06Å; E180-G182 VanDerWaalsContact C-N 3.29Å; E180-G182 PolarHBondContact O-N 3.07Å; G182-K184 PolarHBondContact O-N 3.44Å; G182-R185 PolarHBondContact O-N 3.15Å; G182-I186 WeakPolarHBondContact O-CG1 3.38Å; G182-I186 PolarHBondContact O-N 2.9Å; G182-I186 VanDerWaalsContact O-N 3.13Å
183L97.6Very high97.4Very high0 Ų035 Ų350%019%0.187CC..Hα-helixtrans-56.9-51.3175.9-18057.9000112P139 K142 E143 C175 E178 E180 R185 I186 V187P139-L183 HydrophobicContact CB-CD2 4.38Å; K142-L183 HydrophobicContact CB-CD1 3.84Å; K142-L183 HydrophobicContact CB-CD2 4.04Å; K142-L183 HydrophobicContact CD-CD2 4.2Å; E143-L183 HydrophobicContact CB-CB 4.36Å; E143-L183 HydrophobicContact CB-CD1 4Å; E143-L183 PolarHBondContact OE2-N 3.37Å; E143-L183 VanDerWaalsContact OE2-N 3.16Å; C175-L183 HydrophobicContact CB-CD1 4.17Å; C175-L183 HydrophobicContact CB-CD2 4.14Å; C175-L183 HydrophobicContact CB-CG 4.18Å; E178-L183 HydrophobicContact CB-CD2 3.81Å; E178-L183 HydrophobicContact CG-CD2 3.86Å; E180-L183 HydrophobicContact CB-CB 4.03Å; E180-L183 PolarHBondContact O-N 3.16Å; L183-R185 VanDerWaalsContact C-N 3.32Å; L183-R185 PolarHBondContact O-N 3.4Å; L183-I186 PolarHBondContact O-N 3.3Å; L183-I186 VanDerWaalsContact O-N 3.16Å; L183-V187 HydrophobicContact CD1-CG2 3.62Å; L183-V187 HydrophobicContact CG-CG2 4.11Å; L183-V187 WeakPolarHBondContact O-CB 3.39Å; L183-V187 WeakPolarHBondContact O-CG2 3.34Å; L183-V187 PolarHBondContact O-N 3.06Å
184K98Very high97.4Very high31 Ų3134.7 Ų34.714%0.13519%0.185CC..Hα-helixtrans-54.3-44.5178.1-78.6172.7157.8147.30113.2L176 E178 E180 M181 G182 A188 M217 L225L176-K184 WeakPolarHBondContact O-CE 3.49Å; E178-K184 WeakPolarHBondContact O-CE 3.46Å; E178-K184 PolarHBondContact O-NZ 3.38Å; E180-K184 PolarHBondContact O-N 3.08Å; M181-K184 HydrophobicContact CE-CD 4.37Å; M181-K184 HydrophobicContact SD-CD 4.21Å; G182-K184 PolarHBondContact O-N 3.44Å; K184-A188 WeakPolarHBondContact O-CB 3.47Å; K184-A188 PolarHBondContact O-N 3.39Å; K184-M217 HydrophobicContact CB-SD 4.47Å; K184-M217 HydrophobicContact CD-CE 4.29Å; K184-M217 HydrophobicContact CD-SD 4.44Å; K184-M217 HydrophobicContact CG-CE 4.22Å; K184-M217 HydrophobicContact CG-SD 4.41Å; K184-L225 HydrophobicContact CB-CD1 3.92Å; K184-L225 HydrophobicContact CB-CD2 4.37Å
185R98.1Very high97.4Very high72 Ų7229.9 Ų29.927%0.27216%0.159SC..Hα-helixtrans-62-48.1178.3-71.5163.7-178.1163.61.8111.3M181 G182 L183 S189 D222 K224 L225M181-R185 WeakPolarHBondContact O-CD 3.38Å; M181-R185 WeakPolarHBondContact O-CG 3.25Å; M181-R185 PolarHBondContact O-N 2.91Å; M181-R185 VanDerWaalsContact O-N 3.08Å; G182-R185 PolarHBondContact O-N 3.15Å; L183-R185 VanDerWaalsContact C-N 3.32Å; L183-R185 PolarHBondContact O-N 3.4Å; R185-S189 WeakPolarHBondContact O-CB 3.32Å; R185-S189 PolarHBondContact O-N 3.45Å; R185-D222 IonicContact CZ-OD1 2.81Å; R185-D222 IonicContact CZ-OD2 2.7Å; R185-D222 IonicContact NE-OD1 2.72Å; R185-D222 PolarHBondContact NE-OD1 3.35Å; R185-D222 IonicContact NE-OD2 3.67Å; R185-D222 IonicContact NH2-OD1 3.46Å; R185-D222 PolarHBondContact NH2-OD1 2.75Å; R185-D222 IonicContact NH2-OD2 2.69Å; R185-D222 PolarHBondContact NH2-OD2 3.35Å; R185-K224 HydrophobicContact CG-CB 4.39Å; R185-L225 HydrophobicContact CG-CB 3.98Å; R185-L225 HydrophobicContact CG-CD1 4.26Å
186I98.4Very high97.4Very high26 Ų2632.5 Ų32.513%0.13317%0.171CC..Hα-helixtrans-64.7-46.8-178.9-68.2-55.7000110.4E143 A146 W147 G182 L183 A188 S189 T190E143-I186 HydrophobicContact CG-CB 4.31Å; E143-I186 HydrophobicContact CG-CG1 3.88Å; A146-I186 HydrophobicContact CB-CG2 3.86Å; W147-I186 HydrophobicContact CB-CG2 3.61Å; W147-I186 HydrophobicContact CD2-CD1 3.75Å; W147-I186 HydrophobicContact CE3-CD1 3.79Å; W147-I186 HydrophobicContact CE3-CG1 4.33Å; W147-I186 HydrophobicContact CG-CD1 4.06Å; W147-I186 HydrophobicContact CG-CG2 4.19Å; W147-I186 HydrophobicContact CZ3-CD1 4.35Å; W147-I186 VanDerWaalsContact N-CG2 3.35Å; G182-I186 WeakPolarHBondContact O-CG1 3.38Å; G182-I186 PolarHBondContact O-N 2.9Å; G182-I186 VanDerWaalsContact O-N 3.13Å; L183-I186 PolarHBondContact O-N 3.3Å; L183-I186 VanDerWaalsContact O-N 3.16Å; I186-A188 PolarHBondContact O-N 3.3Å; I186-S189 CarbonylContact O-C 3.58Å; I186-S189 WeakPolarHBondContact O-CA 3.45Å; I186-S189 WeakPolarHBondContact O-CB 3.39Å; I186-S189 PolarHBondContact O-N 3.34Å; I186-S189 VanDerWaalsContact O-N 3.13Å; I186-T190 PolarHBondContact O-N 2.9Å; I186-T190 PolarHBondContact O-OG1 2.81Å; I186-T190 VanDerWaalsContact O-OG1 3.11Å
187V98.5Very high97.3Very high0 Ų034.9 Ų34.90%018%0.182CC..Hα-helixtrans-61.8-45.8-179.91720000111.3A146 L172 C175 L176 L183 S189 T190 L191A146-V187 HydrophobicContact CB-CG2 3.92Å; L172-V187 HydrophobicContact CB-CG1 4.19Å; L172-V187 HydrophobicContact CD2-CG1 4.42Å; L172-V187 HydrophobicContact CD2-CG2 4.31Å; L172-V187 WeakPolarHBondContact O-CG1 3.3Å; C175-V187 HydrophobicContact CB-CG1 4.38Å; C175-V187 HydrophobicContact CB-CG2 3.62Å; L176-V187 HydrophobicContact CD2-CB 3.94Å; L176-V187 HydrophobicContact CD2-CG1 3.46Å; L176-V187 VanDerWaalsContact CD2-CG1 3.46Å; L176-V187 HydrophobicContact CG-CG1 3.62Å; L183-V187 HydrophobicContact CD1-CG2 3.62Å; L183-V187 HydrophobicContact CG-CG2 4.11Å; L183-V187 WeakPolarHBondContact O-CB 3.39Å; L183-V187 WeakPolarHBondContact O-CG2 3.34Å; L183-V187 PolarHBondContact O-N 3.06Å; V187-S189 VanDerWaalsContact C-N 3.28Å; V187-S189 PolarHBondContact O-N 3.42Å; V187-T190 PolarHBondContact O-N 3.29Å; V187-T190 VanDerWaalsContact O-N 3.16Å; V187-L191 HydrophobicContact CG1-CD1 4.22Å; V187-L191 HydrophobicContact CG1-CG 4.46Å; V187-L191 WeakPolarHBondContact O-CG 3.37Å; V187-L191 PolarHBondContact O-N 2.91Å
188A98.5Very high97.5Very high0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-60.3-38.7175.100000112L176 K184 I186 S192 L214 L225 Q228 V229L176-A188 HydrophobicContact CD2-CB 4.5Å; K184-A188 WeakPolarHBondContact O-CB 3.47Å; K184-A188 PolarHBondContact O-N 3.39Å; I186-A188 PolarHBondContact O-N 3.3Å; A188-S192 WeakPolarHBondContact O-CB 3.31Å; A188-S192 PolarHBondContact O-N 3.21Å; A188-L214 HydrophobicContact CB-CD2 4.02Å; A188-L225 HydrophobicContact CB-CD1 4.37Å; A188-Q228 HydrophobicContact CB-CB 3.73Å; A188-V229 HydrophobicContact CB-CG2 4.37Å
189S98.4Very high97.6Very high32 Ų3231.1 Ų31.122%0.22417%0.168CC..Hα-helixtrans-64.1-44.7173.5-171.30000111.7R185 I186 V187 S192 D193 Q228R185-S189 WeakPolarHBondContact O-CB 3.32Å; R185-S189 PolarHBondContact O-N 3.45Å; I186-S189 CarbonylContact O-C 3.58Å; I186-S189 WeakPolarHBondContact O-CA 3.45Å; I186-S189 WeakPolarHBondContact O-CB 3.39Å; I186-S189 PolarHBondContact O-N 3.34Å; I186-S189 VanDerWaalsContact O-N 3.13Å; V187-S189 VanDerWaalsContact C-N 3.28Å; V187-S189 PolarHBondContact O-N 3.42Å; S189-S192 VanDerWaalsContact O-CB 3.31Å; S189-S192 WeakPolarHBondContact O-CB 3.48Å; S189-S192 PolarHBondContact O-N 2.99Å; S189-D193 PolarHBondContact O-N 3.23Å; S189-Q228 PolarHBondContact OG-OE1 2.93Å
190T98.6Very high97.7Very high3 Ų332.5 Ų32.52%0.01817%0.167CC..Hα-helixtrans-64.3-43.1179.7-63.70000111.4A146 L149 L172 I186 V187 S192 D193 I194A146-T190 PolarHBondContact O-OG1 3.36Å; L149-T190 HydrophobicContact CB-CG2 4.36Å; L172-T190 HydrophobicContact CD1-CG2 3.7Å; L172-T190 HydrophobicContact CD2-CG2 4.15Å; I186-T190 PolarHBondContact O-N 2.9Å; I186-T190 PolarHBondContact O-OG1 2.81Å; I186-T190 VanDerWaalsContact O-OG1 3.11Å; V187-T190 PolarHBondContact O-N 3.29Å; V187-T190 VanDerWaalsContact O-N 3.16Å; T190-S192 VanDerWaalsContact C-N 3.32Å; T190-S192 PolarHBondContact O-N 3.4Å; T190-D193 PolarHBondContact O-N 3.18Å; T190-D193 VanDerWaalsContact O-N 3.13Å; T190-I194 HydrophobicContact CG2-CD1 4.24Å; T190-I194 WeakPolarHBondContact O-CG1 3.31Å; T190-I194 PolarHBondContact O-N 3.08Å
191L98.6Very high97.8Very high0 Ų029.2 Ų29.20%015%0.151CC..Hα-helixtrans-61.5-41.5173-67175.3000111L172 V173 L176 V187 D193 I194 C195 V205 A210L172-L191 HydrophobicContact CB-CD2 4.03Å; L172-L191 HydrophobicContact CD1-CD2 4.28Å; V173-L191 HydrophobicContact CG2-CD1 4.45Å; L176-L191 HydrophobicContact CD1-CD1 3.79Å; L176-L191 HydrophobicContact CG-CD1 4.41Å; V187-L191 HydrophobicContact CG1-CD1 4.22Å; V187-L191 HydrophobicContact CG1-CG 4.46Å; V187-L191 WeakPolarHBondContact O-CG 3.37Å; V187-L191 PolarHBondContact O-N 2.91Å; L191-D193 VanDerWaalsContact C-N 3.3Å; L191-D193 PolarHBondContact O-N 3.13Å; L191-I194 PolarHBondContact O-N 3.28Å; L191-C195 WeakPolarHBondContact O-CB 3.28Å; L191-C195 PolarHBondContact O-N 3.18Å; L191-C195 PolarHBondContact O-SG 3.2Å; L191-V205 HydrophobicContact CB-CG1 4.44Å; L191-V205 HydrophobicContact CD2-CG1 4Å; L191-V205 HydrophobicContact CD2-CG2 4.24Å; L191-A210 HydrophobicContact CD1-CB 4.31Å
192S98.4Very high97.9Very high6 Ų625.2 Ų25.24%0.04213%0.132CC..Hα-helixtrans-59.7-39.3172.7-173.90000112.5A188 S189 T190 K196 S231 Q235A188-S192 WeakPolarHBondContact O-CB 3.31Å; A188-S192 PolarHBondContact O-N 3.21Å; S189-S192 VanDerWaalsContact O-CB 3.31Å; S189-S192 WeakPolarHBondContact O-CB 3.48Å; S189-S192 PolarHBondContact O-N 2.99Å; T190-S192 VanDerWaalsContact C-N 3.32Å; T190-S192 PolarHBondContact O-N 3.4Å; S192-K196 PolarHBondContact O-N 3.37Å; S192-S231 PolarHBondContact OG-OG 3.11Å; S192-Q235 WeakPolarHBondContact OG-CG 3.34Å
193D98.4Very high98Very high30 Ų3027 Ų2716%0.1613%0.134CC..Hα-helixtrans-70.4-30.1178.6-86.4-42.4000113R154 S189 T190 L191 K196 H197R154-D193 HydrophobicContact CB-CB 3.99Å; R154-D193 VanDerWaalsContact CB-CG 3.48Å; R154-D193 VanDerWaalsContact CB-OD1 3.28Å; R154-D193 WeakPolarHBondContact CB-OD1 3.44Å; S189-D193 PolarHBondContact O-N 3.23Å; T190-D193 PolarHBondContact O-N 3.18Å; T190-D193 VanDerWaalsContact O-N 3.13Å; L191-D193 VanDerWaalsContact C-N 3.3Å; L191-D193 PolarHBondContact O-N 3.13Å; D193-K196 WeakPolarHBondContact O-CG 3.45Å; D193-K196 IonicContact OD1-NZ 3.36Å; D193-K196 PolarHBondContact OD1-NZ 2.81Å; D193-H197 PolarHBondContact O-CD2 2.9Å; D193-H197 PolarHBondContact O-NE2 3.18Å
194I98.3Very high98Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-72.5-51.5172.2-67.8166000110.1A153 S160 V163 V164 L172 T190 L191 K196 L201 V205A153-I194 HydrophobicContact CB-CG1 3.7Å; S160-I194 WeakPolarHBondContact OG-CA 3.29Å; V163-I194 HydrophobicContact CG1-CD1 4.08Å; V164-I194 HydrophobicContact CG2-CG2 3.76Å; L172-I194 HydrophobicContact CD1-CD1 3.92Å; T190-I194 HydrophobicContact CG2-CD1 4.24Å; T190-I194 WeakPolarHBondContact O-CG1 3.31Å; T190-I194 PolarHBondContact O-N 3.08Å; L191-I194 PolarHBondContact O-N 3.28Å; I194-K196 PolarHBondContact O-N 3.24Å; I194-K196 VanDerWaalsContact O-N 3.07Å; I194-L201 HydrophobicContact CG2-CB 4.29Å; I194-L201 HydrophobicContact CG2-CD2 4.47Å; I194-V205 HydrophobicContact CB-CG2 4.38Å; I194-V205 HydrophobicContact CG2-CG2 3.75Å
195C97.7Very high98Very high0 Ų027.4 Ų27.40%014%0.14CC..Hα-helixtrans-63.2-18.9-175.3-66.40000113.4L191 H197 A202 Q235 I236 H239L191-C195 WeakPolarHBondContact O-CB 3.28Å; L191-C195 PolarHBondContact O-N 3.18Å; L191-C195 PolarHBondContact O-SG 3.2Å; C195-H197 VanDerWaalsContact C-N 3.31Å; C195-H197 PolarHBondContact O-N 2.89Å; C195-A202 HydrophobicContact CB-CB 4.28Å; C195-Q235 HydrophobicContact CB-CB 3.86Å; C195-I236 HydrophobicContact CB-CG1 4.11Å; C195-H239 PolarHBondContact O-CD2 3.21Å; C195-H239 VanDerWaalsContact O-CD2 3.32Å; C195-H239 PolarHBondContact O-NE2 3.38Å
196K96.4Very high97.9Very high57 Ų5724.7 Ų24.725%0.24813%0.131CC..THydrogen-bonded Turntrans-74.7-12.6-171.277.4-170.3176-174.10115.2R154 S192 D193 I194 Q235 K238R154-K196 VanDerWaalsContact CA-NZ 3.27Å; R154-K196 VanDerWaalsContact CB-NZ 3.27Å; R154-K196 WeakPolarHBondContact O-CE 3.32Å; R154-K196 PolarHBondContact O-NZ 3.23Å; S192-K196 PolarHBondContact O-N 3.37Å; D193-K196 WeakPolarHBondContact O-CG 3.45Å; D193-K196 IonicContact OD1-NZ 3.36Å; D193-K196 PolarHBondContact OD1-NZ 2.81Å; I194-K196 PolarHBondContact O-N 3.24Å; I194-K196 VanDerWaalsContact O-N 3.07Å; K196-Q235 HydrophobicContact CB-CB 4.44Å; K196-Q235 HydrophobicContact CB-CG 4.04Å; K196-Q235 VanDerWaalsContact CB-OE1 3.31Å; K196-K238 WeakPolarHBondContact O-CE 3.27Å; K196-K238 PolarHBondContact O-NZ 3.34Å
197H96.6Very high97.9Very high50 Ų5028.9 Ų28.923%0.23115%0.153CC..SBendtrans-94.4-55.3-168.3-62.6-71.7000114.2A153 N156 A157 D193 C195 L201A153-H197 PolarHBondContact O-CD2 3.33Å; A153-H197 PolarHBondContact O-NE2 2.86Å; N156-H197 PolarHBondContact N-CE1 3.18Å; A157-H197 HydrophobicContact CB-CB 3.99Å; D193-H197 PolarHBondContact O-CD2 2.9Å; D193-H197 PolarHBondContact O-NE2 3.18Å; C195-H197 VanDerWaalsContact C-N 3.31Å; C195-H197 PolarHBondContact O-N 2.89Å; H197-L201 HydrophobicContact CB-CD1 3.81Å
198T97.8Very high97.8Very high30 Ų3031.7 Ų31.718%0.18417%0.168CC..  trans-137.1156.3-175.681.40000111.9A157 E200 L201 A202A157-T198 HydrophobicContact CB-CG2 3.71Å; T198-E200 VanDerWaalsContact C-N 3.27Å; T198-E200 WeakPolarHBondContact CB-OE2 3.36Å; T198-E200 PolarHBondContact O-N 3.15Å; T198-E200 PolarHBondContact OG1-N 3.46Å; T198-E200 PolarHBondContact OG1-OE2 2.84Å; T198-L201 HydrophobicContact CG2-CD1 4.17Å; T198-L201 PolarHBondContact O-N 3.24Å; T198-L201 WeakPolarHBondContact OG1-CG 3.5Å; T198-L201 PolarHBondContact OG1-N 2.97Å; T198-A202 PolarHBondContact O-N 2.85Å; T198-A202 VanDerWaalsContact O-N 3.17Å
199P97.3Very high97.7Very high53 Ų5333.2 Ų33.234%0.34418%0.184SC..Hα-helixtrans-59-35.6174.219.4-30.3000113.1A202 Q203 H239P199-A202 PolarHBondContact O-N 3.14Å; P199-Q203 WeakPolarHBondContact O-CB 3.48Å; P199-Q203 PolarHBondContact O-N 3.22Å; P199-H239 HydrophobicContact CB-CB 4.05Å
200E98Very high97.6Very high117 Ų11731.7 Ų31.755%0.54717%0.173SC..Hα-helixtrans-67-40.2-179.1-57.173.9-159.200111.9T198 Q203 T204T198-E200 VanDerWaalsContact C-N 3.27Å; T198-E200 WeakPolarHBondContact CB-OE2 3.36Å; T198-E200 PolarHBondContact O-N 3.15Å; T198-E200 PolarHBondContact OG1-N 3.46Å; T198-E200 PolarHBondContact OG1-OE2 2.84Å; E200-Q203 PolarHBondContact O-N 2.56Å; E200-T204 PolarHBondContact O-N 2.84Å; E200-T204 PolarHBondContact O-OG1 2.8Å
201L98Very high97.6Very high1 Ų132.1 Ų32.11%0.00518%0.176CC..Hα-helixtrans-65.5-43.2175-70.1168.6000111Q161 V164 I194 H197 T198 T204 V205Q161-L201 HydrophobicContact CB-CD2 4.39Å; Q161-L201 VanDerWaalsContact OE1-CD2 3.27Å; V164-L201 HydrophobicContact CB-CD2 4.17Å; V164-L201 HydrophobicContact CG2-CD2 3.63Å; I194-L201 HydrophobicContact CG2-CB 4.29Å; I194-L201 HydrophobicContact CG2-CD2 4.47Å; H197-L201 HydrophobicContact CB-CD1 3.81Å; T198-L201 HydrophobicContact CG2-CD1 4.17Å; T198-L201 PolarHBondContact O-N 3.24Å; T198-L201 WeakPolarHBondContact OG1-CG 3.5Å; T198-L201 PolarHBondContact OG1-N 2.97Å; L201-T204 PolarHBondContact O-N 2.99Å; L201-V205 WeakPolarHBondContact O-CG2 3.16Å; L201-V205 PolarHBondContact O-N 3.46Å
202A98Very high97.5Very high0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-62.9-45174.900000111.5C195 T198 P199 T204 V205 V206 L243C195-A202 HydrophobicContact CB-CB 4.28Å; T198-A202 PolarHBondContact O-N 2.85Å; T198-A202 VanDerWaalsContact O-N 3.17Å; P199-A202 PolarHBondContact O-N 3.14Å; A202-T204 VanDerWaalsContact C-N 3.33Å; A202-T204 PolarHBondContact O-N 3.33Å; A202-V205 PolarHBondContact O-N 2.96Å; A202-V206 WeakPolarHBondContact O-CG2 3.48Å; A202-V206 PolarHBondContact O-N 3.11Å; A202-L243 HydrophobicContact CB-CD1 3.91Å
203Q97.9Very high97.4Very high58 Ų5836.7 Ų36.727%0.27121%0.206SC..Hα-helixtrans-58.6-45176.6-170.56453.900111.3P199 E200 V205 V206 D207P199-Q203 WeakPolarHBondContact O-CB 3.48Å; P199-Q203 PolarHBondContact O-N 3.22Å; E200-Q203 PolarHBondContact O-N 2.56Å; Q203-V205 VanDerWaalsContact C-N 3.29Å; Q203-V205 PolarHBondContact O-N 2.9Å; Q203-V206 CarbonylContact O-C 3.57Å; Q203-V206 WeakPolarHBondContact O-CA 3.13Å; Q203-V206 WeakPolarHBondContact O-CB 3.23Å; Q203-V206 PolarHBondContact O-N 2.94Å; Q203-D207 PolarHBondContact NE2-OD1 3.14Å; Q203-D207 WeakPolarHBondContact O-CB 3.45Å; Q203-D207 PolarHBondContact O-N 3.19Å
204T97.8Very high97.4Very high41 Ų4135.3 Ų35.325%0.25220%0.198SC..Hα-helixtrans-59.5-40.4177.8-550000112.1V164 E200 L201 A202 V206 N208V164-T204 HydrophobicContact CG1-CG2 3.62Å; E200-T204 PolarHBondContact O-N 2.84Å; E200-T204 PolarHBondContact O-OG1 2.8Å; L201-T204 PolarHBondContact O-N 2.99Å; A202-T204 VanDerWaalsContact C-N 3.33Å; A202-T204 PolarHBondContact O-N 3.33Å; T204-V206 VanDerWaalsContact C-N 3.34Å; T204-N208 PolarHBondContact O-N 2.89Å; T204-N208 PolarHBondContact O-ND2 2.9Å
205V97.8Very high97.3Very high0 Ų036 Ų360%020%0.204CC..Hα-helixtrans-64.8-39.8175.2170.80000111.4T169 L191 I194 L201 A202 Q203 N208 A210T169-V205 HydrophobicContact CG2-CB 4.41Å; T169-V205 HydrophobicContact CG2-CG2 3.94Å; L191-V205 HydrophobicContact CB-CG1 4.44Å; L191-V205 HydrophobicContact CD2-CG1 4Å; L191-V205 HydrophobicContact CD2-CG2 4.24Å; I194-V205 HydrophobicContact CB-CG2 4.38Å; I194-V205 HydrophobicContact CG2-CG2 3.75Å; L201-V205 WeakPolarHBondContact O-CG2 3.16Å; L201-V205 PolarHBondContact O-N 3.46Å; A202-V205 PolarHBondContact O-N 2.96Å; Q203-V205 VanDerWaalsContact C-N 3.29Å; Q203-V205 PolarHBondContact O-N 2.9Å; V205-N208 PolarHBondContact O-N 3.43Å; V205-A210 HydrophobicContact CG1-CB 3.48Å; V205-A210 VanDerWaalsContact CG1-CB 3.48Å; V205-A210 WeakPolarHBondContact O-CB 3.4Å; V205-A210 PolarHBondContact O-N 3.29Å
206V97.6Very high97.2Very high14 Ų1442.6 Ų42.69%0.08524%0.235CC..Hα-helixtrans-67.7-43.9177.6174.80000112A202 Q203 T204 N208 G209 I211 I236 L243 M246A202-V206 WeakPolarHBondContact O-CG2 3.48Å; A202-V206 PolarHBondContact O-N 3.11Å; Q203-V206 CarbonylContact O-C 3.57Å; Q203-V206 WeakPolarHBondContact O-CA 3.13Å; Q203-V206 WeakPolarHBondContact O-CB 3.23Å; Q203-V206 PolarHBondContact O-N 2.94Å; T204-V206 VanDerWaalsContact C-N 3.34Å; V206-N208 PolarHBondContact O-N 2.93Å; V206-G209 WeakPolarHBondContact O-CA 3.43Å; V206-G209 PolarHBondContact O-N 2.77Å; V206-I211 HydrophobicContact CB-CD1 4.29Å; V206-I211 HydrophobicContact CG1-CD1 3.69Å; V206-I211 HydrophobicContact CG1-CG1 4.33Å; V206-I211 HydrophobicContact CG2-CD1 3.64Å; V206-I211 HydrophobicContact CG2-CG1 3.95Å; V206-I236 HydrophobicContact CG2-CD1 4.3Å; V206-I236 HydrophobicContact CG2-CG1 4.43Å; V206-I236 HydrophobicContact CG2-CG2 3.7Å; V206-L243 HydrophobicContact CB-CD2 4.18Å; V206-L243 HydrophobicContact CG2-CD2 3.66Å; V206-M246 HydrophobicContact CG1-CE 3.67Å; V206-M246 HydrophobicContact CG1-SD 3.63Å
207D97.3Very high97.1Very high114 Ų11440.9 Ų40.961%0.6123%0.228SC*.Hα-helixtrans-60.8-27.9179.5-66.8-16.1000112.1Q203 G209Q203-D207 PolarHBondContact NE2-OD1 3.14Å; Q203-D207 WeakPolarHBondContact O-CB 3.45Å; Q203-D207 PolarHBondContact O-N 3.19Å; D207-G209 PolarHBondContact O-N 3.46Å
208N96.9Very high97.1Very high59 Ų5938.7 Ų38.732%0.31622%0.218SC..THydrogen-bonded Turntrans-80.75.3173.3-77.8-84.5000113.8T169 P170 V173 T204 V205 V206T169-N208 HydrophobicContact CG2-CB 4Å; P170-N208 WeakPolarHBondContact CB-OD1 3.29Å; V173-N208 WeakPolarHBondContact CG1-O 3.44Å; V173-N208 HydrophobicContact CG2-CB 4.09Å; T204-N208 PolarHBondContact O-N 2.89Å; T204-N208 PolarHBondContact O-ND2 2.9Å; V205-N208 PolarHBondContact O-N 3.43Å; V206-N208 PolarHBondContact O-N 2.93Å
209G96.1Very high96.9Very high32 Ų3243.9 Ų43.933%0.3324%0.244SC..THydrogen-bonded Turntrans84.415.2174.300000115.4V206 D207 I211 A212 H213V206-G209 WeakPolarHBondContact O-CA 3.43Å; V206-G209 PolarHBondContact O-N 2.77Å; D207-G209 PolarHBondContact O-N 3.46Å; G209-I211 VanDerWaalsContact C-N 3.33Å; G209-I211 PolarHBondContact O-N 3.39Å; G209-A212 PolarHBondContact O-N 3.25Å; G209-H213 PolarHBondContact O-CD2 3.01Å
210A97.3Very high96.7Very high0 Ų042.7 Ų42.70%024%0.237CC..Hα-helixtrans-60.3-36.6-174.200000114.1V173 L191 V205 A212 H213 L214V173-A210 HydrophobicContact CG2-CB 3.89Å; L191-A210 HydrophobicContact CD1-CB 4.31Å; V205-A210 HydrophobicContact CG1-CB 3.48Å; V205-A210 VanDerWaalsContact CG1-CB 3.48Å; V205-A210 WeakPolarHBondContact O-CB 3.4Å; V205-A210 PolarHBondContact O-N 3.29Å; A210-A212 PolarHBondContact O-N 2.91Å; A210-H213 PolarHBondContact O-N 2.71Å; A210-L214 HydrophobicContact CB-CD1 4.34Å; A210-L214 WeakPolarHBondContact O-CB 3.47Å; A210-L214 VanDerWaalsContact O-CG 3.26Å; A210-L214 WeakPolarHBondContact O-CG 3.45Å; A210-L214 PolarHBondContact O-N 3.01Å
211I97.5Very high96.5Very high13 Ų1348.9 Ų48.97%0.06726%0.255CS..Hα-helixtrans-58.6-46.4-175.8-67.8178.7000111.2V206 G209 H213 L214 A215 I236 M246 V247 A250V206-I211 HydrophobicContact CB-CD1 4.29Å; V206-I211 HydrophobicContact CG1-CD1 3.69Å; V206-I211 HydrophobicContact CG1-CG1 4.33Å; V206-I211 HydrophobicContact CG2-CD1 3.64Å; V206-I211 HydrophobicContact CG2-CG1 3.95Å; G209-I211 VanDerWaalsContact C-N 3.33Å; G209-I211 PolarHBondContact O-N 3.39Å; I211-H213 VanDerWaalsContact C-N 3.31Å; I211-H213 PolarHBondContact O-N 2.83Å; I211-L214 PolarHBondContact O-N 3.08Å; I211-A215 VanDerWaalsContact O-CB 3.3Å; I211-A215 WeakPolarHBondContact O-CB 3.41Å; I211-A215 PolarHBondContact O-N 2.9Å; I211-I236 HydrophobicContact CD1-CG2 4.27Å; I211-I236 HydrophobicContact CG1-CD1 4.21Å; I211-M246 HydrophobicContact CD1-CB 3.79Å; I211-V247 HydrophobicContact CD1-CG2 3.8Å; I211-V247 HydrophobicContact CG1-CG2 4.32Å; I211-A250 HydrophobicContact CG2-CB 3.48Å; I211-A250 VanDerWaalsContact CG2-CB 3.48Å
212A96.2Very high96.4Very high55 Ų5550.5 Ų50.546%0.45526%0.264SS..Hα-helixtrans-59.5-43.2-176.900000111.7G209 A210 Q216G209-A212 PolarHBondContact O-N 3.25Å; A210-A212 PolarHBondContact O-N 2.91Å; A212-Q216 WeakPolarHBondContact O-CG 3.37Å; A212-Q216 PolarHBondContact O-N 2.63Å
213H96.8Very high96.3Very high47 Ų4751.6 Ų51.622%0.21827%0.273CS..Hα-helixtrans-71.1-42.7178.2-60.7-51.3000112.2L176 G209 A210 I211 Q216 M217L176-H213 HydrophobicContact CB-CB 4.29Å; L176-H213 HydrophobicContact CD1-CB 3.92Å; G209-H213 PolarHBondContact O-CD2 3.01Å; A210-H213 PolarHBondContact O-N 2.71Å; I211-H213 VanDerWaalsContact C-N 3.31Å; I211-H213 PolarHBondContact O-N 2.83Å; H213-Q216 PolarHBondContact O-N 3.12Å; H213-M217 WeakPolarHBondContact O-CG 3.38Å; H213-M217 PolarHBondContact O-N 3.4Å
214L97.6Very high96.3Very high0 Ų054.6 Ų54.60%029%0.285CS..Hα-helixtrans-62.1-44.7177-70.8172.4000111.3L176 A188 A210 I211 Q216 M217 I218 V229 A232 L233 I236L176-L214 HydrophobicContact CD1-CD2 4.24Å; L176-L214 HydrophobicContact CD1-CG 4.34Å; A188-L214 HydrophobicContact CB-CD2 4.02Å; A210-L214 HydrophobicContact CB-CD1 4.34Å; A210-L214 WeakPolarHBondContact O-CB 3.47Å; A210-L214 VanDerWaalsContact O-CG 3.26Å; A210-L214 WeakPolarHBondContact O-CG 3.45Å; A210-L214 PolarHBondContact O-N 3.01Å; I211-L214 PolarHBondContact O-N 3.08Å; L214-Q216 PolarHBondContact O-N 2.82Å; L214-M217 PolarHBondContact O-N 3.2Å; L214-M217 VanDerWaalsContact O-N 3.09Å; L214-I218 PolarHBondContact O-N 3.31Å; L214-V229 HydrophobicContact CB-CG1 4.25Å; L214-V229 HydrophobicContact CD2-CG2 4.12Å; L214-V229 WeakPolarHBondContact O-CG1 3.33Å; L214-A232 HydrophobicContact CD1-CB 3.85Å; L214-A232 HydrophobicContact CD2-CB 4.41Å; L214-L233 HydrophobicContact CB-CD2 4.09Å; L214-L233 HydrophobicContact CB-CG 4.38Å; L214-L233 HydrophobicContact CD1-CD2 4.37Å; L214-I236 HydrophobicContact CD1-CD1 4.36Å
215A96.1Very high96.3Very high16 Ų1652.7 Ų52.713%0.13227%0.274CS..Hα-helixtrans-58.8-44.6178.800000112I211 M217 I218 A250 V252I211-A215 VanDerWaalsContact O-CB 3.3Å; I211-A215 WeakPolarHBondContact O-CB 3.41Å; I211-A215 PolarHBondContact O-N 2.9Å; A215-M217 VanDerWaalsContact C-N 3.28Å; A215-M217 PolarHBondContact O-N 2.92Å; A215-I218 WeakPolarHBondContact O-CB 3.16Å; A215-I218 WeakPolarHBondContact O-CG1 3.22Å; A215-I218 PolarHBondContact O-N 3.05Å; A215-A250 HydrophobicContact CB-CB 3.94Å; A215-V252 HydrophobicContact CB-CG1 3.94Å
216Q95.4Very high96.2Very high137 Ų13753.6 Ų53.664%0.6428%0.277SS*.Hα-helixtrans-60.9-36.5175.7-72.2178-2.500112.6A212 H213 L214 I218 L219A212-Q216 WeakPolarHBondContact O-CG 3.37Å; A212-Q216 PolarHBondContact O-N 2.63Å; H213-Q216 PolarHBondContact O-N 3.12Å; L214-Q216 PolarHBondContact O-N 2.82Å; Q216-I218 PolarHBondContact O-N 3.37Å; Q216-L219 PolarHBondContact O-N 3.5Å
217M95.9Very high96.2Very high21 Ų2156.2 Ų56.210%0.10329%0.286CS..Hα-helixtrans-71.1-14.6-179.2-69.8-174-159.400114.5L176 K184 H213 L214 A215 L219 S220 L225 V229L176-M217 HydrophobicContact CB-CE 3.47Å; L176-M217 VanDerWaalsContact CB-CE 3.47Å; L176-M217 HydrophobicContact CD1-CE 4.42Å; L176-M217 HydrophobicContact CD2-CE 3.71Å; L176-M217 HydrophobicContact CD2-SD 4.08Å; L176-M217 HydrophobicContact CG-CE 4.05Å; L176-M217 WeakPolarHBondContact O-CE 3.2Å; K184-M217 HydrophobicContact CB-SD 4.47Å; K184-M217 HydrophobicContact CD-CE 4.29Å; K184-M217 HydrophobicContact CD-SD 4.44Å; K184-M217 HydrophobicContact CG-CE 4.22Å; K184-M217 HydrophobicContact CG-SD 4.41Å; H213-M217 WeakPolarHBondContact O-CG 3.38Å; H213-M217 PolarHBondContact O-N 3.4Å; L214-M217 PolarHBondContact O-N 3.2Å; L214-M217 VanDerWaalsContact O-N 3.09Å; A215-M217 VanDerWaalsContact C-N 3.28Å; A215-M217 PolarHBondContact O-N 2.92Å; M217-L219 PolarHBondContact O-N 3.21Å; M217-S220 WeakPolarHBondContact O-CB 3.41Å; M217-S220 PolarHBondContact O-N 3.14Å; M217-L225 HydrophobicContact CB-CD2 4.17Å; M217-L225 HydrophobicContact CB-CG 4.48Å; M217-L225 HydrophobicContact CG-CD2 4.32Å; M217-L225 HydrophobicContact SD-CD1 4.06Å; M217-L225 HydrophobicContact SD-CD2 4.08Å; M217-L225 HydrophobicContact SD-CG 4.46Å; M217-V229 HydrophobicContact CB-CG2 3.75Å; M217-V229 HydrophobicContact SD-CG2 4.49Å
218I95.3Very high96.3Very high5 Ų553.4 Ų53.43%0.02627%0.269CS..THydrogen-bonded Turntrans-58.4-31.6173.1-61.2172.3000110.8L214 A215 Q216 S220 K226 V229 F230 L233 V252 A255L214-I218 PolarHBondContact O-N 3.31Å; A215-I218 WeakPolarHBondContact O-CB 3.16Å; A215-I218 WeakPolarHBondContact O-CG1 3.22Å; A215-I218 PolarHBondContact O-N 3.05Å; Q216-I218 PolarHBondContact O-N 3.37Å; I218-S220 PolarHBondContact O-N 3.01Å; I218-K226 VanDerWaalsContact O-CD 3.23Å; I218-K226 WeakPolarHBondContact O-CD 3.34Å; I218-V229 HydrophobicContact CD1-CG1 4.49Å; I218-V229 HydrophobicContact CG1-CG1 3.57Å; I218-F230 HydrophobicContact CB-CZ 4.32Å; I218-F230 HydrophobicContact CD1-CE1 3.86Å; I218-F230 HydrophobicContact CD1-CZ 4.22Å; I218-F230 HydrophobicContact CG1-CE1 4.15Å; I218-F230 HydrophobicContact CG1-CZ 4.13Å; I218-F230 HydrophobicContact CG2-CE1 4.03Å; I218-F230 HydrophobicContact CG2-CE2 3.89Å; I218-F230 HydrophobicContact CG2-CZ 3.3Å; I218-L233 HydrophobicContact CD1-CD1 3.77Å; I218-L233 HydrophobicContact CG1-CD1 4.36Å; I218-V252 HydrophobicContact CD1-CB 3.93Å; I218-V252 HydrophobicContact CD1-CG1 3.91Å; I218-A255 HydrophobicContact CB-CB 4.33Å; I218-A255 HydrophobicContact CG2-CB 3.53Å
219L93.7Very high96.4Very high138 Ų13850.6 Ų50.672%0.72325%0.254SS*.THydrogen-bonded Turntrans-74.4-4.5179.9-55.9179.6000113.3Q216 M217 A255Q216-L219 PolarHBondContact O-N 3.5Å; M217-L219 PolarHBondContact O-N 3.21Å; L219-A255 HydrophobicContact CD2-CB 3.94Å
220S93.4Very high96.5Very high28 Ų2849.1 Ų49.120%0.19624%0.238CC..  trans-63.8143.5177.1-175.30000111.8M217 I218 D222 K226M217-S220 WeakPolarHBondContact O-CB 3.41Å; M217-S220 PolarHBondContact O-N 3.14Å; I218-S220 PolarHBondContact O-N 3.01Å; S220-D222 PolarHBondContact O-N 3.35Å; S220-D222 WeakPolarHBondContact OG-CB 3.41Å; S220-D222 PolarHBondContact OG-N 3.01Å; S220-D222 VanDerWaalsContact OG-N 3.12Å; S220-K226 WeakPolarHBondContact O-CD 3.09Å
221R93.5Very high96.5Very high248 Ų24850.3 Ų50.394%0.93625%0.247SC*.SBendtrans-73.4-11.7170.2-63.2-176.2-179.2179.60.2112.5A223R221-A223 PolarHBondContact O-N 3.34Å
222D95.9Very high96.6Very high35 Ų3549.7 Ų49.719%0.18724%0.243CC..  trans-80.5104.7-177.7-171-110.7000112R185 S220 K224 L225 K226R185-D222 IonicContact CZ-OD1 2.81Å; R185-D222 IonicContact CZ-OD2 2.7Å; R185-D222 IonicContact NE-OD1 2.72Å; R185-D222 PolarHBondContact NE-OD1 3.35Å; R185-D222 IonicContact NE-OD2 3.67Å; R185-D222 IonicContact NH2-OD1 3.46Å; R185-D222 PolarHBondContact NH2-OD1 2.75Å; R185-D222 IonicContact NH2-OD2 2.69Å; R185-D222 PolarHBondContact NH2-OD2 3.35Å; S220-D222 PolarHBondContact O-N 3.35Å; S220-D222 WeakPolarHBondContact OG-CB 3.41Å; S220-D222 PolarHBondContact OG-N 3.01Å; S220-D222 VanDerWaalsContact OG-N 3.12Å; D222-K224 VanDerWaalsContact C-N 3.28Å; D222-K224 PolarHBondContact O-N 2.94Å; D222-L225 HydrophobicContact CB-CB 4.01Å; D222-L225 PolarHBondContact O-N 3.49Å; D222-L225 VanDerWaalsContact OD1-CB 3.3Å; D222-L225 WeakPolarHBondContact OD1-CB 3.44Å; D222-L225 PolarHBondContact OD1-N 2.9Å; D222-K226 PolarHBondContact O-N 2.54Å
223A96.6Very high96.7Very high23 Ų2347 Ų4719%0.1922%0.222CC..Hα-helixtrans-59.6-38.8-179.200000112.4R221 L225 K226 R227 D264 V267R221-A223 PolarHBondContact O-N 3.34Å; A223-L225 VanDerWaalsContact C-N 3.34Å; A223-L225 PolarHBondContact O-N 3.41Å; A223-K226 PolarHBondContact O-N 2.92Å; A223-R227 VanDerWaalsContact O-CG 3.32Å; A223-R227 WeakPolarHBondContact O-CG 3.24Å; A223-R227 PolarHBondContact O-N 3.41Å; A223-D264 HydrophobicContact CB-CB 3.78Å; A223-D264 WeakPolarHBondContact CB-OD2 3.38Å; A223-V267 HydrophobicContact CB-CG2 4.21Å; A223-V267 WeakPolarHBondContact O-CG2 3.39Å
224K97.1Very high96.7Very high120 Ų12045 Ų4552%0.52221%0.213SC..Hα-helixtrans-61.5-40.8178.6-69.7-177.9-178.6-179.50112.1R185 D222 Q228R185-K224 HydrophobicContact CG-CB 4.39Å; D222-K224 VanDerWaalsContact C-N 3.28Å; D222-K224 PolarHBondContact O-N 2.94Å; K224-Q228 WeakPolarHBondContact O-CG 3.4Å; K224-Q228 PolarHBondContact O-N 3.09Å
225L97.6Very high96.8Very high2 Ų247 Ų471%0.0122%0.222CC..Hα-helixtrans-65.7-47.5174.1-179.459.3000110.8M181 K184 R185 A188 M217 D222 A223 R227 Q228 V229M181-L225 HydrophobicContact SD-CD2 4.25Å; K184-L225 HydrophobicContact CB-CD1 3.92Å; K184-L225 HydrophobicContact CB-CD2 4.37Å; R185-L225 HydrophobicContact CG-CB 3.98Å; R185-L225 HydrophobicContact CG-CD1 4.26Å; A188-L225 HydrophobicContact CB-CD1 4.37Å; M217-L225 HydrophobicContact CB-CD2 4.17Å; M217-L225 HydrophobicContact CB-CG 4.48Å; M217-L225 HydrophobicContact CG-CD2 4.32Å; M217-L225 HydrophobicContact SD-CD1 4.06Å; M217-L225 HydrophobicContact SD-CD2 4.08Å; M217-L225 HydrophobicContact SD-CG 4.46Å; D222-L225 HydrophobicContact CB-CB 4.01Å; D222-L225 PolarHBondContact O-N 3.49Å; D222-L225 VanDerWaalsContact OD1-CB 3.3Å; D222-L225 WeakPolarHBondContact OD1-CB 3.44Å; D222-L225 PolarHBondContact OD1-N 2.9Å; A223-L225 VanDerWaalsContact C-N 3.34Å; A223-L225 PolarHBondContact O-N 3.41Å; L225-R227 VanDerWaalsContact C-N 3.27Å; L225-R227 PolarHBondContact O-N 2.94Å; L225-Q228 PolarHBondContact O-N 3.06Å; L225-V229 HydrophobicContact CD1-CG2 4.02Å; L225-V229 HydrophobicContact CG-CG2 4.09Å; L225-V229 WeakPolarHBondContact O-CG2 3.35Å; L225-V229 PolarHBondContact O-N 3.45Å
226K97.5Very high96.9Very high19 Ų1946.3 Ų46.38%0.08322%0.216CC..Hα-helixtrans-56.7-40177.9-71.4-167.2-63.9-170.90112.8I218 S220 D222 A223 Q228 V229 F230 D262 V267I218-K226 VanDerWaalsContact O-CD 3.23Å; I218-K226 WeakPolarHBondContact O-CD 3.34Å; S220-K226 WeakPolarHBondContact O-CD 3.09Å; D222-K226 PolarHBondContact O-N 2.54Å; A223-K226 PolarHBondContact O-N 2.92Å; K226-Q228 VanDerWaalsContact C-N 3.3Å; K226-Q228 PolarHBondContact O-N 3.35Å; K226-V229 PolarHBondContact O-N 2.98Å; K226-F230 HydrophobicContact CB-CD2 4.33Å; K226-F230 HydrophobicContact CB-CE2 4.38Å; K226-F230 VanDerWaalsContact O-CD2 3.23Å; K226-F230 WeakPolarHBondContact O-CD2 3.4Å; K226-F230 PolarHBondContact O-N 3.49Å; K226-D262 WeakPolarHBondContact CE-OD2 3.39Å; K226-D262 IonicContact NZ-OD2 3.99Å; K226-D262 PolarHBondContact NZ-OD2 3.21Å; K226-V267 HydrophobicContact CB-CG1 4.14Å; K226-V267 HydrophobicContact CB-CG2 3.95Å
227R97.7Very high97Very high68 Ų6839.8 Ų39.826%0.25719%0.186SC..Hα-helixtrans-52.7-50.8173.4-68172.9-170-166.6-4110.8A223 L225 S231 D264 V267 N270A223-R227 VanDerWaalsContact O-CG 3.32Å; A223-R227 WeakPolarHBondContact O-CG 3.24Å; A223-R227 PolarHBondContact O-N 3.41Å; L225-R227 VanDerWaalsContact C-N 3.27Å; L225-R227 PolarHBondContact O-N 2.94Å; R227-S231 WeakPolarHBondContact O-CB 3.3Å; R227-S231 PolarHBondContact O-N 3.19Å; R227-D264 IonicContact CZ-OD1 2.74Å; R227-D264 IonicContact CZ-OD2 2.85Å; R227-D264 IonicContact NE-OD1 2.95Å; R227-D264 PolarHBondContact NE-OD1 2.81Å; R227-D264 IonicContact NE-OD2 3.23Å; R227-D264 PolarHBondContact NE-OD2 3.26Å; R227-D264 IonicContact NH2-OD1 2.79Å; R227-D264 PolarHBondContact NH2-OD1 3.24Å; R227-D264 IonicContact NH2-OD2 3.38Å; R227-D264 PolarHBondContact NH2-OD2 3.04Å; R227-V267 HydrophobicContact CG-CG2 3.66Å; R227-N270 PolarHBondContact O-ND2 3.36Å
228Q98.3Very high97Very high56 Ų5641.6 Ų41.626%0.26219%0.193SC..Hα-helixtrans-70.6-39.2-176.6-56.9-53.4-18.200112.2A188 S189 K224 L225 K226 S231 A232A188-Q228 HydrophobicContact CB-CB 3.73Å; S189-Q228 PolarHBondContact OG-OE1 2.93Å; K224-Q228 WeakPolarHBondContact O-CG 3.4Å; K224-Q228 PolarHBondContact O-N 3.09Å; L225-Q228 PolarHBondContact O-N 3.06Å; K226-Q228 VanDerWaalsContact C-N 3.3Å; K226-Q228 PolarHBondContact O-N 3.35Å; Q228-S231 WeakPolarHBondContact O-CB 3.34Å; Q228-S231 PolarHBondContact O-N 3.27Å; Q228-A232 WeakPolarHBondContact O-CB 3.47Å; Q228-A232 PolarHBondContact O-N 2.84Å
229V98.4Very high97.1Very high0 Ų043.5 Ų43.50%020%0.202CC..Hα-helixtrans-61.5-51.8176.8169.60000111.4A188 L214 M217 I218 L225 K226 S231 A232 L233A188-V229 HydrophobicContact CB-CG2 4.37Å; L214-V229 HydrophobicContact CB-CG1 4.25Å; L214-V229 HydrophobicContact CD2-CG2 4.12Å; L214-V229 WeakPolarHBondContact O-CG1 3.33Å; M217-V229 HydrophobicContact CB-CG2 3.75Å; M217-V229 HydrophobicContact SD-CG2 4.49Å; I218-V229 HydrophobicContact CD1-CG1 4.49Å; I218-V229 HydrophobicContact CG1-CG1 3.57Å; L225-V229 HydrophobicContact CD1-CG2 4.02Å; L225-V229 HydrophobicContact CG-CG2 4.09Å; L225-V229 WeakPolarHBondContact O-CG2 3.35Å; L225-V229 PolarHBondContact O-N 3.45Å; K226-V229 PolarHBondContact O-N 2.98Å; V229-S231 VanDerWaalsContact C-N 3.29Å; V229-S231 PolarHBondContact O-N 3.42Å; V229-A232 PolarHBondContact O-N 3.47Å; V229-L233 HydrophobicContact CG1-CD1 4.02Å; V229-L233 WeakPolarHBondContact O-CG 3.26Å; V229-L233 PolarHBondContact O-N 2.93Å
230F98.4Very high97.2Very high0 Ų038.6 Ų38.60%018%0.179CC..Hα-helixtrans-66-32.8177.9-75.5-61.7000112.5I218 K226 S234 A256 V267 N270 V271 L274I218-F230 HydrophobicContact CB-CZ 4.32Å; I218-F230 HydrophobicContact CD1-CE1 3.86Å; I218-F230 HydrophobicContact CD1-CZ 4.22Å; I218-F230 HydrophobicContact CG1-CE1 4.15Å; I218-F230 HydrophobicContact CG1-CZ 4.13Å; I218-F230 HydrophobicContact CG2-CE1 4.03Å; I218-F230 HydrophobicContact CG2-CE2 3.89Å; I218-F230 HydrophobicContact CG2-CZ 3.3Å; K226-F230 HydrophobicContact CB-CD2 4.33Å; K226-F230 HydrophobicContact CB-CE2 4.38Å; K226-F230 VanDerWaalsContact O-CD2 3.23Å; K226-F230 WeakPolarHBondContact O-CD2 3.4Å; K226-F230 PolarHBondContact O-N 3.49Å; F230-S234 VanDerWaalsContact O-CB 3.27Å; F230-S234 WeakPolarHBondContact O-CB 3.37Å; F230-S234 PolarHBondContact O-N 3.46Å; F230-A256 HydrophobicContact CE1-CB 3.86Å; F230-A256 HydrophobicContact CZ-CB 4.25Å; F230-V267 HydrophobicContact CD2-CG1 4.11Å; F230-V267 HydrophobicContact CE2-CG1 4.07Å; F230-N270 HydrophobicContact CB-CB 3.67Å; F230-V271 HydrophobicContact CD1-CG2 3.9Å; F230-V271 HydrophobicContact CD2-CG2 3.59Å; F230-V271 HydrophobicContact CE1-CG2 3.78Å; F230-V271 HydrophobicContact CE2-CG2 3.45Å; F230-V271 VanDerWaalsContact CE2-CG2 3.45Å; F230-V271 HydrophobicContact CG-CG2 3.81Å; F230-V271 HydrophobicContact CZ-CG2 3.54Å; F230-L274 HydrophobicContact CD1-CD2 3.91Å; F230-L274 HydrophobicContact CE1-CD2 4.29Å
231S98.4Very high97.4Very high25 Ų2540.8 Ų40.818%0.17519%0.188CC..Hα-helixtrans-60.1-52171-1760000110.7S192 R227 Q228 V229 L233 S234 Q235S192-S231 PolarHBondContact OG-OG 3.11Å; R227-S231 WeakPolarHBondContact O-CB 3.3Å; R227-S231 PolarHBondContact O-N 3.19Å; Q228-S231 WeakPolarHBondContact O-CB 3.34Å; Q228-S231 PolarHBondContact O-N 3.27Å; V229-S231 VanDerWaalsContact C-N 3.29Å; V229-S231 PolarHBondContact O-N 3.42Å; S231-L233 PolarHBondContact O-N 3.24Å; S231-S234 WeakPolarHBondContact O-CB 3.39Å; S231-S234 PolarHBondContact O-N 3.42Å; S231-Q235 WeakPolarHBondContact O-CG 3.31Å; S231-Q235 PolarHBondContact O-N 2.97Å
232A98.4Very high97.6Very high0 Ų031.8 Ų31.80%016%0.163CC..Hα-helixtrans-58.6-49-179.900000112L214 Q228 V229 S234 Q235 I236L214-A232 HydrophobicContact CD1-CB 3.85Å; L214-A232 HydrophobicContact CD2-CB 4.41Å; Q228-A232 WeakPolarHBondContact O-CB 3.47Å; Q228-A232 PolarHBondContact O-N 2.84Å; V229-A232 PolarHBondContact O-N 3.47Å; A232-S234 VanDerWaalsContact C-N 3.28Å; A232-S234 PolarHBondContact O-N 3.28Å; A232-Q235 PolarHBondContact O-N 3.23Å; A232-Q235 VanDerWaalsContact O-N 3.12Å; A232-I236 WeakPolarHBondContact O-CG1 3.31Å; A232-I236 PolarHBondContact O-N 3.38Å
233L98.5Very high97.7Very high0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-61.5-36.4178-66.4172000112.3L214 I218 V229 S231 I236 S237 V247 V252 L274L214-L233 HydrophobicContact CB-CD2 4.09Å; L214-L233 HydrophobicContact CB-CG 4.38Å; L214-L233 HydrophobicContact CD1-CD2 4.37Å; I218-L233 HydrophobicContact CD1-CD1 3.77Å; I218-L233 HydrophobicContact CG1-CD1 4.36Å; V229-L233 HydrophobicContact CG1-CD1 4.02Å; V229-L233 WeakPolarHBondContact O-CG 3.26Å; V229-L233 PolarHBondContact O-N 2.93Å; S231-L233 PolarHBondContact O-N 3.24Å; L233-I236 PolarHBondContact O-N 3.17Å; L233-S237 WeakPolarHBondContact O-CB 3.49Å; L233-S237 PolarHBondContact O-N 3.32Å; L233-S237 PolarHBondContact O-OG 3.39Å; L233-V247 HydrophobicContact CB-CG1 4.3Å; L233-V247 HydrophobicContact CD2-CG1 4.2Å; L233-V247 HydrophobicContact CD2-CG2 4.18Å; L233-V252 HydrophobicContact CD1-CG1 4.05Å; L233-L274 HydrophobicContact CB-CD1 4.16Å; L233-L274 HydrophobicContact CB-CD2 4.33Å
234S98.2Very high97.7Very high5 Ų529.1 Ų29.14%0.03515%0.145CC..Hα-helixtrans-67.5-41.8173.8176.60000112.1F230 S231 A232 I236 S237 K238 T273 E277F230-S234 VanDerWaalsContact O-CB 3.27Å; F230-S234 WeakPolarHBondContact O-CB 3.37Å; F230-S234 PolarHBondContact O-N 3.46Å; S231-S234 WeakPolarHBondContact O-CB 3.39Å; S231-S234 PolarHBondContact O-N 3.42Å; A232-S234 VanDerWaalsContact C-N 3.28Å; A232-S234 PolarHBondContact O-N 3.28Å; S234-I236 VanDerWaalsContact C-N 3.27Å; S234-I236 PolarHBondContact O-N 3.05Å; S234-S237 PolarHBondContact O-N 2.71Å; S234-K238 PolarHBondContact O-N 3.3Å; S234-T273 VanDerWaalsContact OG-CG2 3.32Å; S234-T273 WeakPolarHBondContact OG-CG2 3.44Å; S234-E277 WeakPolarHBondContact OG-CG 3.33Å
235Q98.3Very high97.7Very high42 Ų4227.4 Ų27.420%0.19614%0.139CC..Hα-helixtrans-66.5-28.7176.2-62.9-55.4-25.500112.6S192 C195 K196 S231 A232 K238 H239S192-Q235 WeakPolarHBondContact OG-CG 3.34Å; C195-Q235 HydrophobicContact CB-CB 3.86Å; K196-Q235 HydrophobicContact CB-CB 4.44Å; K196-Q235 HydrophobicContact CB-CG 4.04Å; K196-Q235 VanDerWaalsContact CB-OE1 3.31Å; S231-Q235 WeakPolarHBondContact O-CG 3.31Å; S231-Q235 PolarHBondContact O-N 2.97Å; A232-Q235 PolarHBondContact O-N 3.23Å; A232-Q235 VanDerWaalsContact O-N 3.12Å; Q235-K238 WeakPolarHBondContact O-CG 3.41Å; Q235-H239 PolarHBondContact O-CD2 2.93Å
236I98.1Very high97.7Very high0 Ų029.6 Ų29.60%015%0.15CC..Hα-helixtrans-71.6-51.9172.1-67.9165.1000109.9C195 V206 I211 L214 A232 L233 S234 K238 H239 L243 V247C195-I236 HydrophobicContact CB-CG1 4.11Å; V206-I236 HydrophobicContact CG2-CD1 4.3Å; V206-I236 HydrophobicContact CG2-CG1 4.43Å; V206-I236 HydrophobicContact CG2-CG2 3.7Å; I211-I236 HydrophobicContact CD1-CG2 4.27Å; I211-I236 HydrophobicContact CG1-CD1 4.21Å; L214-I236 HydrophobicContact CD1-CD1 4.36Å; A232-I236 WeakPolarHBondContact O-CG1 3.31Å; A232-I236 PolarHBondContact O-N 3.38Å; L233-I236 PolarHBondContact O-N 3.17Å; S234-I236 VanDerWaalsContact C-N 3.27Å; S234-I236 PolarHBondContact O-N 3.05Å; I236-K238 PolarHBondContact O-N 2.9Å; I236-K238 VanDerWaalsContact O-N 3.15Å; I236-H239 PolarHBondContact O-N 3.19Å; I236-L243 HydrophobicContact CG2-CB 4.04Å; I236-L243 HydrophobicContact CG2-CD2 4.14Å; I236-L243 WeakPolarHBondContact O-CB 3.48Å; I236-V247 HydrophobicContact CB-CG2 4.3Å; I236-V247 HydrophobicContact CG2-CG2 3.76Å
237S97.8Very high97.7Very high0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-66.1-19.3-172.8-54.70000114.5L233 S234 H239 L274 Q281L233-S237 WeakPolarHBondContact O-CB 3.49Å; L233-S237 PolarHBondContact O-N 3.32Å; L233-S237 PolarHBondContact O-OG 3.39Å; S234-S237 PolarHBondContact O-N 2.71Å; S237-H239 VanDerWaalsContact C-N 3.32Å; S237-H239 PolarHBondContact O-N 3.35Å; S237-L274 WeakPolarHBondContact OG-CD1 3.17Å; S237-Q281 PolarHBondContact O-NE2 3.38Å
238K96.6Very high97.6Very high60 Ų6026.8 Ų26.826%0.26114%0.141SC..THydrogen-bonded Turntrans-74.2-20.3-17677.3-176.4-174.5172.10114.3K196 S234 Q235 I236 E277 Q281K196-K238 WeakPolarHBondContact O-CE 3.27Å; K196-K238 PolarHBondContact O-NZ 3.34Å; S234-K238 PolarHBondContact O-N 3.3Å; Q235-K238 WeakPolarHBondContact O-CG 3.41Å; I236-K238 PolarHBondContact O-N 2.9Å; I236-K238 VanDerWaalsContact O-N 3.15Å; K238-E277 HydrophobicContact CB-CB 4.22Å; K238-E277 HydrophobicContact CB-CG 3.88Å; K238-E277 VanDerWaalsContact CB-OE2 3.22Å; K238-E277 WeakPolarHBondContact CB-OE2 3.21Å; K238-Q281 PolarHBondContact O-NE2 2.78Å; K238-Q281 VanDerWaalsContact O-NE2 3.14Å
239H96.3Very high97.4Very high44 Ų4431.2 Ų31.220%0.20416%0.161CC..SBendtrans-91.4-35.5-163.5-78.2-62.2000115C195 P199 Q235 I236 S237 L243C195-H239 PolarHBondContact O-CD2 3.21Å; C195-H239 VanDerWaalsContact O-CD2 3.32Å; C195-H239 PolarHBondContact O-NE2 3.38Å; P199-H239 HydrophobicContact CB-CB 4.05Å; Q235-H239 PolarHBondContact O-CD2 2.93Å; I236-H239 PolarHBondContact O-N 3.19Å; S237-H239 VanDerWaalsContact C-N 3.32Å; S237-H239 PolarHBondContact O-N 3.35Å; H239-L243 HydrophobicContact CB-CD1 3.74Å
240S96.4Very high97.3Very high35 Ų3532.7 Ų32.725%0.24517%0.174CC..  trans-155.2160.9178.777.40000111.5S242 L243 A244S240-S242 VanDerWaalsContact C-N 3.35Å; S240-L243 PolarHBondContact O-N 3.43Å; S240-L243 WeakPolarHBondContact OG-CB 3.06Å; S240-L243 WeakPolarHBondContact OG-CD1 3.32Å; S240-L243 VanDerWaalsContact OG-CG 3.26Å; S240-L243 WeakPolarHBondContact OG-CG 3.38Å; S240-L243 PolarHBondContact OG-N 2.94Å; S240-L243 VanDerWaalsContact OG-N 3.12Å; S240-A244 PolarHBondContact O-N 2.96Å; S240-A244 VanDerWaalsContact O-N 3.09Å
241I97.5Very high97Very high75 Ų7540.3 Ų40.339%0.38521%0.209SC..Hα-helixtrans-59.3-48.2175.4-56.4169.7000109.8L243 A244 E245 Q281 T282 L285I241-L243 VanDerWaalsContact C-N 3.35Å; I241-L243 PolarHBondContact O-N 3.37Å; I241-A244 WeakPolarHBondContact O-CB 3.48Å; I241-A244 PolarHBondContact O-N 3.47Å; I241-A244 VanDerWaalsContact O-N 3.12Å; I241-E245 HydrophobicContact CG2-CG 4.38Å; I241-E245 WeakPolarHBondContact O-CG 3.39Å; I241-E245 PolarHBondContact O-N 3.03Å; I241-Q281 HydrophobicContact CG1-CB 4.32Å; I241-T282 HydrophobicContact CB-CG2 4.32Å; I241-T282 HydrophobicContact CD1-CG2 3.44Å; I241-T282 VanDerWaalsContact CD1-CG2 3.44Å; I241-T282 HydrophobicContact CG1-CG2 3.62Å; I241-T282 HydrophobicContact CG2-CG2 3.75Å; I241-L285 HydrophobicContact CG2-CD1 4.04Å
242S97.7Very high96.9Very high59 Ų5939.1 Ų39.141%0.41320%0.201SC..Hα-helixtrans-60.3-40.6179.9175.70000112.9S240 E245 M246S240-S242 VanDerWaalsContact C-N 3.35Å; S242-E245 PolarHBondContact O-N 2.9Å; S242-M246 WeakPolarHBondContact O-CG 3.19Å; S242-M246 PolarHBondContact O-N 3.48Å
243L97.7Very high96.6Very high1 Ų139.5 Ų39.51%0.00520%0.203CC..Hα-helixtrans-66.3-39.8176-70.2168.1000111.7A202 V206 I236 H239 S240 I241 M246 V247A202-L243 HydrophobicContact CB-CD1 3.91Å; V206-L243 HydrophobicContact CB-CD2 4.18Å; V206-L243 HydrophobicContact CG2-CD2 3.66Å; I236-L243 HydrophobicContact CG2-CB 4.04Å; I236-L243 HydrophobicContact CG2-CD2 4.14Å; I236-L243 WeakPolarHBondContact O-CB 3.48Å; H239-L243 HydrophobicContact CB-CD1 3.74Å; S240-L243 PolarHBondContact O-N 3.43Å; S240-L243 WeakPolarHBondContact OG-CB 3.06Å; S240-L243 WeakPolarHBondContact OG-CD1 3.32Å; S240-L243 VanDerWaalsContact OG-CG 3.26Å; S240-L243 WeakPolarHBondContact OG-CG 3.38Å; S240-L243 PolarHBondContact OG-N 2.94Å; S240-L243 VanDerWaalsContact OG-N 3.12Å; I241-L243 VanDerWaalsContact C-N 3.35Å; I241-L243 PolarHBondContact O-N 3.37Å; L243-M246 HydrophobicContact CD2-CE 3.7Å; L243-M246 HydrophobicContact CG-CE 4.35Å; L243-V247 WeakPolarHBondContact O-CG2 3.5Å; L243-V247 PolarHBondContact O-N 3.45Å
244A97.5Very high96.3Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-65.8-40.8174.900000112S240 I241 V247 I248 Q281 L285S240-A244 PolarHBondContact O-N 2.96Å; S240-A244 VanDerWaalsContact O-N 3.09Å; I241-A244 WeakPolarHBondContact O-CB 3.48Å; I241-A244 PolarHBondContact O-N 3.47Å; I241-A244 VanDerWaalsContact O-N 3.12Å; A244-V247 PolarHBondContact O-N 2.69Å; A244-I248 WeakPolarHBondContact O-CG1 3.14Å; A244-I248 PolarHBondContact O-N 2.87Å; A244-I248 VanDerWaalsContact O-N 3.08Å; A244-Q281 HydrophobicContact CB-CG 3.95Å; A244-L285 HydrophobicContact CB-CD1 4Å
245E97.1Very high96.1Very high84 Ų8444.3 Ų44.339%0.39324%0.236SC..Hα-helixtrans-58-50.3175-76.1171.4157.700111.3I241 S242 V247 I248 E249 L285I241-E245 HydrophobicContact CG2-CG 4.38Å; I241-E245 WeakPolarHBondContact O-CG 3.39Å; I241-E245 PolarHBondContact O-N 3.03Å; S242-E245 PolarHBondContact O-N 2.9Å; E245-V247 VanDerWaalsContact C-N 3.26Å; E245-V247 PolarHBondContact O-N 2.87Å; E245-I248 PolarHBondContact O-N 3.32Å; E245-E249 WeakPolarHBondContact O-CG 3.3Å; E245-E249 PolarHBondContact O-N 3.01Å; E245-L285 HydrophobicContact CG-CD2 3.76Å
246M97.3Very high96Very high48 Ų4842.3 Ų42.324%0.23623%0.226CC..Hα-helixtrans-59.3-35.4177.8-72.1-174.1-75.100112.9V206 I211 S242 L243 A250V206-M246 HydrophobicContact CG1-CE 3.67Å; V206-M246 HydrophobicContact CG1-SD 3.63Å; I211-M246 HydrophobicContact CD1-CB 3.79Å; S242-M246 WeakPolarHBondContact O-CG 3.19Å; S242-M246 PolarHBondContact O-N 3.48Å; L243-M246 HydrophobicContact CD2-CE 3.7Å; L243-M246 HydrophobicContact CG-CE 4.35Å; M246-A250 PolarHBondContact O-N 3.18Å
247V97.2Very high95.8Very high0 Ų043.5 Ų43.50%023%0.231CC..Hα-helixtrans-67.4-37.7174.9169.60000111.5I211 L233 I236 L243 A244 E245 A250 V252 L274I211-V247 HydrophobicContact CD1-CG2 3.8Å; I211-V247 HydrophobicContact CG1-CG2 4.32Å; L233-V247 HydrophobicContact CB-CG1 4.3Å; L233-V247 HydrophobicContact CD2-CG1 4.2Å; L233-V247 HydrophobicContact CD2-CG2 4.18Å; I236-V247 HydrophobicContact CB-CG2 4.3Å; I236-V247 HydrophobicContact CG2-CG2 3.76Å; L243-V247 WeakPolarHBondContact O-CG2 3.5Å; L243-V247 PolarHBondContact O-N 3.45Å; A244-V247 PolarHBondContact O-N 2.69Å; E245-V247 VanDerWaalsContact C-N 3.26Å; E245-V247 PolarHBondContact O-N 2.87Å; V247-A250 PolarHBondContact O-N 3.36Å; V247-V252 HydrophobicContact CG1-CG1 4.31Å; V247-V252 HydrophobicContact CG1-CG2 3.84Å; V247-V252 WeakPolarHBondContact O-CG1 3.47Å; V247-V252 VanDerWaalsContact O-CG2 3.32Å; V247-V252 WeakPolarHBondContact O-CG2 3.39Å; V247-L274 HydrophobicContact CG1-CD1 4.09Å
248I94.8Very high95.7Very high28 Ų2848.8 Ų48.814%0.14426%0.264CS..Hα-helixtrans-72.3-41.2178-64170.4000111.4A244 E245 A250 E251 F253 V278 L285 L288A244-I248 WeakPolarHBondContact O-CG1 3.14Å; A244-I248 PolarHBondContact O-N 2.87Å; A244-I248 VanDerWaalsContact O-N 3.08Å; E245-I248 PolarHBondContact O-N 3.32Å; I248-A250 PolarHBondContact O-N 3.48Å; I248-E251 PolarHBondContact O-N 3.22Å; I248-F253 HydrophobicContact CD1-CE2 4Å; I248-F253 HydrophobicContact CD1-CZ 4.09Å; I248-F253 HydrophobicContact CG1-CE2 3.8Å; I248-F253 HydrophobicContact CG1-CZ 3.82Å; I248-F253 HydrophobicContact CG2-CD2 4.3Å; I248-F253 HydrophobicContact CG2-CE2 4.04Å; I248-V278 HydrophobicContact CD1-CG1 3.49Å; I248-V278 VanDerWaalsContact CD1-CG1 3.49Å; I248-V278 HydrophobicContact CG1-CG1 4.22Å; I248-L285 HydrophobicContact CD1-CB 4.47Å; I248-L285 HydrophobicContact CD1-CD2 3.36Å; I248-L285 HydrophobicContact CD1-CG 4.41Å; I248-L288 HydrophobicContact CD1-CD1 4.39Å; I248-L288 HydrophobicContact CG2-CD1 4.31Å
249E95.2Very high95.7Very high149 Ų14946.3 Ų46.370%0.69625%0.254SS*.Hα-helixtrans-58.6-25.7176.4-73.4175.8176.200112.3E245 E251E245-E249 WeakPolarHBondContact O-CG 3.3Å; E245-E249 PolarHBondContact O-N 3.01Å; E249-E251 PolarHBondContact O-N 3.4Å
250A95.2Very high95.7Very high32 Ų3244.3 Ų44.326%0.26425%0.245SC..THydrogen-bonded Turntrans-77.314.7171.800000114.5I211 A215 M246 V247 I248 V252I211-A250 HydrophobicContact CG2-CB 3.48Å; I211-A250 VanDerWaalsContact CG2-CB 3.48Å; A215-A250 HydrophobicContact CB-CB 3.94Å; M246-A250 PolarHBondContact O-N 3.18Å; V247-A250 PolarHBondContact O-N 3.36Å; I248-A250 PolarHBondContact O-N 3.48Å; A250-V252 VanDerWaalsContact C-N 3.29Å; A250-V252 HydrophobicContact CB-CG1 4.27Å; A250-V252 PolarHBondContact O-N 3.09Å
251E93.8Very high95.6Very high159 Ų15948.5 Ų48.574%0.74326%0.258SS*.THydrogen-bonded Turntrans53.738174.8-58.4-170.3157.900114.4I248 E249 F253 P254I248-E251 PolarHBondContact O-N 3.22Å; E249-E251 PolarHBondContact O-N 3.4Å; E251-F253 VanDerWaalsContact C-N 3.34Å; E251-F253 PolarHBondContact O-N 3.34Å; E251-P254 WeakPolarHBondContact O-CD 3.39Å
252V94.7Very high95.6Very high1 Ų145.9 Ų45.91%0.00625%0.245CC..Hα-helixtrans-71.9-25.3-175.4-60.70000113.7A215 I218 L233 V247 A250 A255 A256 L274A215-V252 HydrophobicContact CB-CG1 3.94Å; I218-V252 HydrophobicContact CD1-CB 3.93Å; I218-V252 HydrophobicContact CD1-CG1 3.91Å; L233-V252 HydrophobicContact CD1-CG1 4.05Å; V247-V252 HydrophobicContact CG1-CG1 4.31Å; V247-V252 HydrophobicContact CG1-CG2 3.84Å; V247-V252 WeakPolarHBondContact O-CG1 3.47Å; V247-V252 VanDerWaalsContact O-CG2 3.32Å; V247-V252 WeakPolarHBondContact O-CG2 3.39Å; A250-V252 VanDerWaalsContact C-N 3.29Å; A250-V252 HydrophobicContact CB-CG1 4.27Å; A250-V252 PolarHBondContact O-N 3.09Å; V252-A255 PolarHBondContact O-N 3.41Å; V252-A256 VanDerWaalsContact O-CB 3.24Å; V252-A256 WeakPolarHBondContact O-CB 3.49Å; V252-A256 PolarHBondContact O-N 3.46Å; V252-L274 HydrophobicContact CG2-CD2 4.31Å
253F93Very high95.5Very high7 Ų749.2 Ų49.23%0.03127%0.265CS..Hα-helixtrans-66.3-45.5-170.1-75.1-28.3000115.7I248 E251 A255 A256 F257 M275 V278 I289I248-F253 HydrophobicContact CD1-CE2 4Å; I248-F253 HydrophobicContact CD1-CZ 4.09Å; I248-F253 HydrophobicContact CG1-CE2 3.8Å; I248-F253 HydrophobicContact CG1-CZ 3.82Å; I248-F253 HydrophobicContact CG2-CD2 4.3Å; I248-F253 HydrophobicContact CG2-CE2 4.04Å; E251-F253 VanDerWaalsContact C-N 3.34Å; E251-F253 PolarHBondContact O-N 3.34Å; F253-A255 VanDerWaalsContact C-N 3.29Å; F253-A255 PolarHBondContact O-N 3.04Å; F253-A256 WeakPolarHBondContact O-CB 3.38Å; F253-A256 PolarHBondContact O-N 3.21Å; F253-A256 VanDerWaalsContact O-N 3.12Å; F253-F257 HydrophobicContact CB-CE2 3.89Å; F253-F257 HydrophobicContact CB-CZ 3.89Å; F253-F257 HydrophobicContact CG-CZ 4.26Å; F253-F257 WeakPolarHBondContact O-CD2 3.46Å; F253-F257 VanDerWaalsContact O-CG 3.26Å; F253-F257 WeakPolarHBondContact O-CG 3.35Å; F253-F257 PolarHBondContact O-N 3.39Å; F253-M275 HydrophobicContact CE1-CG 4.47Å; F253-V278 HydrophobicContact CZ-CB 4.36Å; F253-V278 HydrophobicContact CZ-CG1 3.97Å; F253-V278 HydrophobicContact CZ-CG2 4.38Å; F253-I289 HydrophobicContact CE1-CG1 4.38Å; F253-I289 HydrophobicContact CE2-CG1 3.77Å; F253-I289 HydrophobicContact CZ-CD1 4.18Å; F253-I289 HydrophobicContact CZ-CG1 3.56Å
254P92.5Very high95.4Very high87 Ų8750.3 Ų50.357%0.56527%0.271SS*.Hα-helixtrans-53.5-46.7176.5-28.235.8000112.7E251 F257 V258E251-P254 WeakPolarHBondContact O-CD 3.39Å; P254-F257 PolarHBondContact O-N 3.22Å; P254-V258 PolarHBondContact O-N 3.22Å
255A93.8Very high95.4Very high20 Ų2053.8 Ų53.817%0.16529%0.29CS..Hα-helixtrans-72.6-33178.800000112.6I218 L219 V252 F253 V258 S259I218-A255 HydrophobicContact CB-CB 4.33Å; I218-A255 HydrophobicContact CG2-CB 3.53Å; L219-A255 HydrophobicContact CD2-CB 3.94Å; V252-A255 PolarHBondContact O-N 3.41Å; F253-A255 VanDerWaalsContact C-N 3.29Å; F253-A255 PolarHBondContact O-N 3.04Å; A255-V258 PolarHBondContact O-N 3.38Å; A255-S259 WeakPolarHBondContact O-CB 3.34Å; A255-S259 PolarHBondContact O-N 3.29Å; A255-S259 PolarHBondContact O-OG 3.27Å
256A95.2Very high95.3Very high0 Ų056.6 Ų56.60%030%0.298CS..Hα-helixtrans-61.3-46.9172.100000111.5F230 V252 F253 V258 S259 L260 V271 M275F230-A256 HydrophobicContact CE1-CB 3.86Å; F230-A256 HydrophobicContact CZ-CB 4.25Å; V252-A256 VanDerWaalsContact O-CB 3.24Å; V252-A256 WeakPolarHBondContact O-CB 3.49Å; V252-A256 PolarHBondContact O-N 3.46Å; F253-A256 WeakPolarHBondContact O-CB 3.38Å; F253-A256 PolarHBondContact O-N 3.21Å; F253-A256 VanDerWaalsContact O-N 3.12Å; A256-V258 VanDerWaalsContact C-N 3.32Å; A256-V258 PolarHBondContact O-N 2.9Å; A256-S259 CarbonylContact O-C 3.5Å; A256-S259 WeakPolarHBondContact O-CA 3.45Å; A256-S259 WeakPolarHBondContact O-CB 3.27Å; A256-S259 PolarHBondContact O-N 2.83Å; A256-L260 PolarHBondContact O-N 3.34Å; A256-L260 VanDerWaalsContact O-N 3.1Å; A256-V271 HydrophobicContact CB-CG1 3.93Å; A256-V271 WeakPolarHBondContact O-CG1 3.25Å; A256-M275 HydrophobicContact CB-CE 3.85Å
257F94.4Very high95.3Very high24 Ų2454.3 Ų54.311%0.10529%0.287CS..Hα-helixtrans-61.7-38.5179.1-61-38.6000113.1F253 P254 S259 L260 M275 C292 K297F253-F257 HydrophobicContact CB-CE2 3.89Å; F253-F257 HydrophobicContact CB-CZ 3.89Å; F253-F257 HydrophobicContact CG-CZ 4.26Å; F253-F257 WeakPolarHBondContact O-CD2 3.46Å; F253-F257 VanDerWaalsContact O-CG 3.26Å; F253-F257 WeakPolarHBondContact O-CG 3.35Å; F253-F257 PolarHBondContact O-N 3.39Å; P254-F257 PolarHBondContact O-N 3.22Å; F257-S259 VanDerWaalsContact C-N 3.28Å; F257-S259 PolarHBondContact O-N 3.02Å; F257-L260 HydrophobicContact CD1-CD1 4.48Å; F257-L260 PolarHBondContact O-N 2.99Å; F257-M275 HydrophobicContact CD1-CE 3.25Å; F257-M275 HydrophobicContact CD1-SD 4.22Å; F257-M275 HydrophobicContact CE1-CE 3.31Å; F257-M275 HydrophobicContact CE1-SD 3.91Å; F257-M275 HydrophobicContact CG-CE 4.41Å; F257-C292 HydrophobicContact CE2-CB 3.76Å; F257-C292 WeakPolarHBondContact CE2-O 3.44Å; F257-C292 HydrophobicContact CZ-CB 3.98Å; F257-K297 HydrophobicContact CB-CG 4.14Å; F257-K297 HydrophobicContact CD1-CB 4.17Å; F257-K297 HydrophobicContact CD1-CG 4.25Å; F257-K297 HydrophobicContact CG-CG 4.2Å
258V95Very high95.4Very high112 Ų11255.2 Ų55.268%0.67929%0.29SS*.Hα-helixtrans-63.4-39.5172.7175.50000110.4P254 A255 A256 L260 K261P254-V258 PolarHBondContact O-N 3.22Å; A255-V258 PolarHBondContact O-N 3.38Å; A256-V258 VanDerWaalsContact C-N 3.32Å; A256-V258 PolarHBondContact O-N 2.9Å; V258-L260 VanDerWaalsContact C-N 3.25Å; V258-L260 PolarHBondContact O-N 3.12Å; V258-K261 PolarHBondContact O-N 3.43Å
259S96.8Very high95.5Very high7 Ų757 Ų575%0.04930%0.297CS..Hα-helixtrans-72.5-10-179.2-58.80000114.5A255 A256 F257 K261 D262A255-S259 WeakPolarHBondContact O-CB 3.34Å; A255-S259 PolarHBondContact O-N 3.29Å; A255-S259 PolarHBondContact O-OG 3.27Å; A256-S259 CarbonylContact O-C 3.5Å; A256-S259 WeakPolarHBondContact O-CA 3.45Å; A256-S259 WeakPolarHBondContact O-CB 3.27Å; A256-S259 PolarHBondContact O-N 2.83Å; F257-S259 VanDerWaalsContact C-N 3.28Å; F257-S259 PolarHBondContact O-N 3.02Å; S259-K261 PolarHBondContact O-N 3.08Å; S259-D262 VanDerWaalsContact O-CB 3.27Å; S259-D262 WeakPolarHBondContact O-CB 3.32Å; S259-D262 PolarHBondContact O-N 3.49Å
260L96.4Very high95.7Very high3 Ų351.3 Ų51.32%0.01627%0.271CS..THydrogen-bonded Turntrans-67.2-18.4168.4-75.8171.7000113A256 F257 V258 R268 V271 A272 M275 K297 V298 Y301A256-L260 PolarHBondContact O-N 3.34Å; A256-L260 VanDerWaalsContact O-N 3.1Å; F257-L260 HydrophobicContact CD1-CD1 4.48Å; F257-L260 PolarHBondContact O-N 2.99Å; V258-L260 VanDerWaalsContact C-N 3.25Å; V258-L260 PolarHBondContact O-N 3.12Å; L260-R268 WeakPolarHBondContact O-CG 3.45Å; L260-R268 PolarHBondContact O-NE 2.76Å; L260-V271 HydrophobicContact CD1-CG1 4.48Å; L260-V271 HydrophobicContact CD2-CB 4.02Å; L260-V271 HydrophobicContact CD2-CG1 3.59Å; L260-V271 HydrophobicContact CG-CB 4.46Å; L260-V271 HydrophobicContact CG-CG1 3.67Å; L260-A272 HydrophobicContact CD2-CB 4.43Å; L260-M275 HydrophobicContact CD1-CE 4.02Å; L260-M275 HydrophobicContact CD1-SD 4.26Å; L260-M275 HydrophobicContact CG-CE 4.47Å; L260-K297 HydrophobicContact CD1-CB 3.79Å; L260-V298 HydrophobicContact CD1-CG2 4.3Å; L260-Y301 HydrophobicContact CD2-CD1 4.41Å; L260-Y301 HydrophobicContact CD2-CD2 4.07Å; L260-Y301 HydrophobicContact CD2-CG 3.94Å
261K95.1Very high95.8Very high122 Ų12249.8 Ų49.853%0.5326%0.259SS..THydrogen-bonded Turntrans-104.114.5174.5-59.7-160.5174.5-141.60113.1V258 S259 E304V258-K261 PolarHBondContact O-N 3.43Å; S259-K261 PolarHBondContact O-N 3.08Å; K261-E304 IonicContact NZ-OE1 2.84Å; K261-E304 PolarHBondContact NZ-OE1 3.34Å
262D96.6Very high96Very high20 Ų2042.2 Ų42.211%0.10722%0.223CC..  trans-62.5141.5176.5-162.3-87.7000110.5K226 S259 D264 V267 R268K226-D262 WeakPolarHBondContact CE-OD2 3.39Å; K226-D262 IonicContact NZ-OD2 3.99Å; K226-D262 PolarHBondContact NZ-OD2 3.21Å; S259-D262 VanDerWaalsContact O-CB 3.27Å; S259-D262 WeakPolarHBondContact O-CB 3.32Å; S259-D262 PolarHBondContact O-N 3.49Å; D262-D264 PolarHBondContact O-N 3.49Å; D262-D264 VanDerWaalsContact O-N 3.1Å; D262-D264 WeakPolarHBondContact OD1-CB 2.87Å; D262-D264 PolarHBondContact OD1-N 3.44Å; D262-V267 HydrophobicContact CB-CB 4.07Å; D262-V267 HydrophobicContact CB-CG1 3.88Å; D262-R268 HydrophobicContact CB-CG 4.29Å; D262-R268 WeakPolarHBondContact O-CD 3Å; D262-R268 WeakPolarHBondContact O-CG 2.91Å
263P95.3Very high96.2Very high129 Ų12943.2 Ų43.284%0.83823%0.23SC*.SBendtrans-62.3-15.3174.826.2-36.8000113.5
264D96.6Very high96.5Very high24 Ų2442.9 Ų42.913%0.12823%0.228CC..  trans-93.6108.7179.6-164.1-53.3000112.2A223 R227 D262 Y266 V267 R268A223-D264 HydrophobicContact CB-CB 3.78Å; A223-D264 WeakPolarHBondContact CB-OD2 3.38Å; R227-D264 IonicContact CZ-OD1 2.74Å; R227-D264 IonicContact CZ-OD2 2.85Å; R227-D264 IonicContact NE-OD1 2.95Å; R227-D264 PolarHBondContact NE-OD1 2.81Å; R227-D264 IonicContact NE-OD2 3.23Å; R227-D264 PolarHBondContact NE-OD2 3.26Å; R227-D264 IonicContact NH2-OD1 2.79Å; R227-D264 PolarHBondContact NH2-OD1 3.24Å; R227-D264 IonicContact NH2-OD2 3.38Å; R227-D264 PolarHBondContact NH2-OD2 3.04Å; D262-D264 PolarHBondContact O-N 3.49Å; D262-D264 VanDerWaalsContact O-N 3.1Å; D262-D264 WeakPolarHBondContact OD1-CB 2.87Å; D262-D264 PolarHBondContact OD1-N 3.44Å; D264-Y266 PolarHBondContact O-N 3.44Å; D264-Y266 VanDerWaalsContact O-N 3.14Å; D264-Y266 WeakPolarHBondContact OD1-CB 3.43Å; D264-Y266 PolarHBondContact OD1-N 3.22Å; D264-Y266 VanDerWaalsContact OD1-N 3.11Å; D264-V267 HydrophobicContact CB-CB 4.18Å; D264-V267 HydrophobicContact CB-CG2 3.77Å; D264-V267 WeakPolarHBondContact O-CB 3.26Å; D264-V267 PolarHBondContact O-N 3.35Å; D264-R268 PolarHBondContact O-N 3.12Å
265D96.4Very high96.7Very high74 Ų7438.8 Ų38.840%0.39620%0.201SC..Hα-helixtrans-58-30.7-178.2-74.9-28.2000114.4V267 R268 K269 L309D265-V267 VanDerWaalsContact C-N 3.34Å; D265-R268 PolarHBondContact O-N 2.84Å; D265-R268 IonicContact OD1-NH1 3.89Å; D265-R268 PolarHBondContact OD1-NH1 3.14Å; D265-K269 VanDerWaalsContact O-CB 3.3Å; D265-K269 WeakPolarHBondContact O-CB 3.48Å; D265-K269 PolarHBondContact O-N 3.38Å; D265-L309 HydrophobicContact CB-CD1 3.71Å; D265-L309 HydrophobicContact CB-CD2 3.88Å; D265-L309 HydrophobicContact CB-CG 4.46Å; D265-L309 VanDerWaalsContact CG-CD1 3.46Å
266Y96.2Very high97Very high142 Ų14240 Ų4056%0.55720%0.202SC*.Hα-helixtrans-71.2-32176.6-69.7-86.9000111.8D264 N270D264-Y266 PolarHBondContact O-N 3.44Å; D264-Y266 VanDerWaalsContact O-N 3.14Å; D264-Y266 WeakPolarHBondContact OD1-CB 3.43Å; D264-Y266 PolarHBondContact OD1-N 3.22Å; D264-Y266 VanDerWaalsContact OD1-N 3.11Å; Y266-N270 WeakPolarHBondContact O-CB 3.39Å; Y266-N270 VanDerWaalsContact O-CG 3.24Å; Y266-N270 PolarHBondContact O-N 3.03Å; Y266-N270 PolarHBondContact O-OD1 2.95Å
267V97.9Very high97.1Very high0 Ų040.8 Ų40.80%021%0.205CC..Hα-helixtrans-64.2-52.3172.6175.90000108.9A223 K226 R227 F230 D262 D264 D265 K269 N270 V271A223-V267 HydrophobicContact CB-CG2 4.21Å; A223-V267 WeakPolarHBondContact O-CG2 3.39Å; K226-V267 HydrophobicContact CB-CG1 4.14Å; K226-V267 HydrophobicContact CB-CG2 3.95Å; R227-V267 HydrophobicContact CG-CG2 3.66Å; F230-V267 HydrophobicContact CD2-CG1 4.11Å; F230-V267 HydrophobicContact CE2-CG1 4.07Å; D262-V267 HydrophobicContact CB-CB 4.07Å; D262-V267 HydrophobicContact CB-CG1 3.88Å; D264-V267 HydrophobicContact CB-CB 4.18Å; D264-V267 HydrophobicContact CB-CG2 3.77Å; D264-V267 WeakPolarHBondContact O-CB 3.26Å; D264-V267 PolarHBondContact O-N 3.35Å; D265-V267 VanDerWaalsContact C-N 3.34Å; V267-K269 VanDerWaalsContact C-N 3.31Å; V267-K269 PolarHBondContact O-N 3.32Å; V267-N270 PolarHBondContact O-N 2.8Å; V267-N270 VanDerWaalsContact O-N 3.14Å; V267-V271 HydrophobicContact CG1-CG2 4.41Å; V267-V271 VanDerWaalsContact O-CG2 3.28Å; V267-V271 WeakPolarHBondContact O-CG2 3.34Å; V267-V271 PolarHBondContact O-N 2.74Å
268R97.8Very high97.3Very high19 Ų1939.7 Ų39.77%0.07220%0.2CC..Hα-helixtrans-57.4-44.7180-51.7167.670.4-162.14.8111.6L260 D262 D264 D265 N270 V271 A272 Y301 E304 S305L260-R268 WeakPolarHBondContact O-CG 3.45Å; L260-R268 PolarHBondContact O-NE 2.76Å; D262-R268 HydrophobicContact CB-CG 4.29Å; D262-R268 WeakPolarHBondContact O-CD 3Å; D262-R268 WeakPolarHBondContact O-CG 2.91Å; D264-R268 PolarHBondContact O-N 3.12Å; D265-R268 PolarHBondContact O-N 2.84Å; D265-R268 IonicContact OD1-NH1 3.89Å; D265-R268 PolarHBondContact OD1-NH1 3.14Å; R268-N270 PolarHBondContact O-N 3.45Å; R268-V271 WeakPolarHBondContact O-CB 3.35Å; R268-V271 PolarHBondContact O-N 3.25Å; R268-A272 PolarHBondContact O-N 2.83Å; R268-Y301 HydrophobicContact CB-CD2 4.08Å; R268-Y301 HydrophobicContact CB-CE2 3.51Å; R268-E304 PolarHBondContact NH1-O 2.85Å; R268-E304 PolarHBondContact NH2-O 3.38Å; R268-E304 VanDerWaalsContact NH2-O 3.11Å; R268-E304 IonicContact NH2-OE2 3.14Å; R268-S305 PolarHBondContact NH2-OG 3.08Å
269K98Very high97.4Very high65 Ų6534.3 Ų34.328%0.28317%0.168SC..Hα-helixtrans-60.2-45.5176-176-177.2178.71760112.5D265 V267 V271 A272 T273 L309 P312D265-K269 VanDerWaalsContact O-CB 3.3Å; D265-K269 WeakPolarHBondContact O-CB 3.48Å; D265-K269 PolarHBondContact O-N 3.38Å; V267-K269 VanDerWaalsContact C-N 3.31Å; V267-K269 PolarHBondContact O-N 3.32Å; K269-V271 VanDerWaalsContact C-N 3.33Å; K269-A272 PolarHBondContact O-N 3.18Å; K269-T273 PolarHBondContact O-N 2.98Å; K269-T273 PolarHBondContact O-OG1 3.05Å; K269-L309 HydrophobicContact CB-CD2 3.95Å; K269-L309 HydrophobicContact CD-CD2 4.28Å; K269-L309 HydrophobicContact CG-CD2 4.45Å; K269-P312 HydrophobicContact CG-CG 4.18Å
270N98.3Very high97.4Very high31 Ų3138.5 Ų38.517%0.16619%0.185CC..Hα-helixtrans-69.9-33.1-178.7-730.1000111.7R227 F230 Y266 V267 R268 T273 L274R227-N270 PolarHBondContact O-ND2 3.36Å; F230-N270 HydrophobicContact CB-CB 3.67Å; Y266-N270 WeakPolarHBondContact O-CB 3.39Å; Y266-N270 VanDerWaalsContact O-CG 3.24Å; Y266-N270 PolarHBondContact O-N 3.03Å; Y266-N270 PolarHBondContact O-OD1 2.95Å; V267-N270 PolarHBondContact O-N 2.8Å; V267-N270 VanDerWaalsContact O-N 3.14Å; R268-N270 PolarHBondContact O-N 3.45Å; N270-T273 WeakPolarHBondContact O-CB 3.22Å; N270-T273 PolarHBondContact O-N 2.9Å; N270-L274 PolarHBondContact O-N 3.24Å
271V98.3Very high97.4Very high0 Ų040.4 Ų40.40%019%0.194CC..Hα-helixtrans-61.9-49.2170.81730000111.3F230 A256 L260 V267 R268 K269 T273 L274 M275F230-V271 HydrophobicContact CD1-CG2 3.9Å; F230-V271 HydrophobicContact CD2-CG2 3.59Å; F230-V271 HydrophobicContact CE1-CG2 3.78Å; F230-V271 HydrophobicContact CE2-CG2 3.45Å; F230-V271 VanDerWaalsContact CE2-CG2 3.45Å; F230-V271 HydrophobicContact CG-CG2 3.81Å; F230-V271 HydrophobicContact CZ-CG2 3.54Å; A256-V271 HydrophobicContact CB-CG1 3.93Å; A256-V271 WeakPolarHBondContact O-CG1 3.25Å; L260-V271 HydrophobicContact CD1-CG1 4.48Å; L260-V271 HydrophobicContact CD2-CB 4.02Å; L260-V271 HydrophobicContact CD2-CG1 3.59Å; L260-V271 HydrophobicContact CG-CB 4.46Å; L260-V271 HydrophobicContact CG-CG1 3.67Å; V267-V271 HydrophobicContact CG1-CG2 4.41Å; V267-V271 VanDerWaalsContact O-CG2 3.28Å; V267-V271 WeakPolarHBondContact O-CG2 3.34Å; V267-V271 PolarHBondContact O-N 2.74Å; R268-V271 WeakPolarHBondContact O-CB 3.35Å; R268-V271 PolarHBondContact O-N 3.25Å; K269-V271 VanDerWaalsContact C-N 3.33Å; V271-T273 VanDerWaalsContact C-N 3.25Å; V271-T273 PolarHBondContact O-N 2.82Å; V271-L274 WeakPolarHBondContact O-CB 3.36Å; V271-L274 PolarHBondContact O-N 2.88Å; V271-M275 HydrophobicContact CG1-CE 3.52Å; V271-M275 HydrophobicContact CG1-SD 4.47Å; V271-M275 PolarHBondContact O-N 3Å
272A98.4Very high97.6Very high0 Ų035.3 Ų35.30%017%0.173CC..Hα-helixtrans-62.8-35.1177.300000111.7L260 R268 K269 M275 R276 Y301 P312L260-A272 HydrophobicContact CD2-CB 4.43Å; R268-A272 PolarHBondContact O-N 2.83Å; K269-A272 PolarHBondContact O-N 3.18Å; A272-M275 PolarHBondContact O-N 3.49Å; A272-R276 WeakPolarHBondContact O-CB 3.41Å; A272-R276 PolarHBondContact O-N 3.26Å; A272-Y301 HydrophobicContact CB-CD1 4.38Å; A272-Y301 HydrophobicContact CB-CE1 3.81Å; A272-P312 HydrophobicContact CB-CB 3.88Å
273T98.6Very high97.6Very high22 Ų2236.4 Ų36.414%0.13518%0.181CC..Hα-helixtrans-63-46.6172.5-50.30000111.5S234 K269 N270 V271 M275 R276 E277S234-T273 VanDerWaalsContact OG-CG2 3.32Å; S234-T273 WeakPolarHBondContact OG-CG2 3.44Å; K269-T273 PolarHBondContact O-N 2.98Å; K269-T273 PolarHBondContact O-OG1 3.05Å; N270-T273 WeakPolarHBondContact O-CB 3.22Å; N270-T273 PolarHBondContact O-N 2.9Å; V271-T273 VanDerWaalsContact C-N 3.25Å; V271-T273 PolarHBondContact O-N 2.82Å; T273-M275 PolarHBondContact O-N 3.38Å; T273-R276 WeakPolarHBondContact O-CB 3.44Å; T273-R276 PolarHBondContact O-N 2.85Å; T273-E277 WeakPolarHBondContact O-CG 3.47Å; T273-E277 PolarHBondContact O-N 2.94Å
274L98.5Very high97.7Very high0 Ų036.2 Ų36.20%017%0.169CC..Hα-helixtrans-56.3-49.2175.2170.362.2000111.3F230 L233 S237 V247 V252 N270 V271 R276 E277 V278F230-L274 HydrophobicContact CD1-CD2 3.91Å; F230-L274 HydrophobicContact CE1-CD2 4.29Å; L233-L274 HydrophobicContact CB-CD1 4.16Å; L233-L274 HydrophobicContact CB-CD2 4.33Å; S237-L274 WeakPolarHBondContact OG-CD1 3.17Å; V247-L274 HydrophobicContact CG1-CD1 4.09Å; V252-L274 HydrophobicContact CG2-CD2 4.31Å; N270-L274 PolarHBondContact O-N 3.24Å; V271-L274 WeakPolarHBondContact O-CB 3.36Å; V271-L274 PolarHBondContact O-N 2.88Å; L274-R276 VanDerWaalsContact C-N 3.31Å; L274-R276 PolarHBondContact O-N 3.04Å; L274-E277 PolarHBondContact O-N 3.5Å; L274-V278 HydrophobicContact CD1-CG2 4.17Å; L274-V278 WeakPolarHBondContact O-CG2 3.46Å; L274-V278 PolarHBondContact O-N 3.48Å
275M97.8Very high97.8Very high0 Ų035.2 Ų35.20%016%0.164CC..Hα-helixtrans-62.6-38.1179-67178.6-168.800112.4F253 A256 F257 L260 V271 A272 T273 A279 V298 M316F253-M275 HydrophobicContact CE1-CG 4.47Å; A256-M275 HydrophobicContact CB-CE 3.85Å; F257-M275 HydrophobicContact CD1-CE 3.25Å; F257-M275 HydrophobicContact CD1-SD 4.22Å; F257-M275 HydrophobicContact CE1-CE 3.31Å; F257-M275 HydrophobicContact CE1-SD 3.91Å; F257-M275 HydrophobicContact CG-CE 4.41Å; L260-M275 HydrophobicContact CD1-CE 4.02Å; L260-M275 HydrophobicContact CD1-SD 4.26Å; L260-M275 HydrophobicContact CG-CE 4.47Å; V271-M275 HydrophobicContact CG1-CE 3.52Å; V271-M275 HydrophobicContact CG1-SD 4.47Å; V271-M275 PolarHBondContact O-N 3Å; A272-M275 PolarHBondContact O-N 3.49Å; T273-M275 PolarHBondContact O-N 3.38Å; M275-A279 VanDerWaalsContact O-CB 3.24Å; M275-A279 WeakPolarHBondContact O-CB 3.4Å; M275-A279 PolarHBondContact O-N 3.49Å; M275-V298 HydrophobicContact SD-CG2 3.59Å; M275-V298 VanDerWaalsContact SD-CG2 3.59Å; M275-M316 HydrophobicContact CB-CE 4.32Å; M275-M316 HydrophobicContact CB-CG 4.02Å
276R98.4Very high97.8Very high47 Ų4731.7 Ų31.718%0.17715%0.145CC..Hα-helixtrans-60.5-48.5173.8-176.7-167.671.1-165.10.5111.6A272 T273 L274 V278 A279 K280 M315 M316 Y319A272-R276 WeakPolarHBondContact O-CB 3.41Å; A272-R276 PolarHBondContact O-N 3.26Å; T273-R276 WeakPolarHBondContact O-CB 3.44Å; T273-R276 PolarHBondContact O-N 2.85Å; L274-R276 VanDerWaalsContact C-N 3.31Å; L274-R276 PolarHBondContact O-N 3.04Å; R276-V278 VanDerWaalsContact C-N 3.31Å; R276-V278 PolarHBondContact O-N 2.88Å; R276-A279 PolarHBondContact O-N 2.89Å; R276-K280 WeakPolarHBondContact O-CB 3.43Å; R276-K280 PolarHBondContact O-N 2.91Å; R276-M315 HydrophobicContact CG-CB 3.97Å; R276-M316 HydrophobicContact CB-CB 4Å; R276-M316 HydrophobicContact CG-CB 4.49Å; R276-Y319 HydrophobicContact CG-CD2 3.77Å; R276-Y319 HydrophobicContact CG-CE2 3.89Å
277E98.4Very high97.9Very high16 Ų1628.3 Ų28.38%0.07513%0.134CC..Hα-helixtrans-63.5-39.2-178.5-66.1-45.3130.900111.6S234 K238 T273 L274 Q281S234-E277 WeakPolarHBondContact OG-CG 3.33Å; K238-E277 HydrophobicContact CB-CB 4.22Å; K238-E277 HydrophobicContact CB-CG 3.88Å; K238-E277 VanDerWaalsContact CB-OE2 3.22Å; K238-E277 WeakPolarHBondContact CB-OE2 3.21Å; T273-E277 WeakPolarHBondContact O-CG 3.47Å; T273-E277 PolarHBondContact O-N 2.94Å; L274-E277 PolarHBondContact O-N 3.5Å; E277-Q281 WeakPolarHBondContact O-CG 3.47Å
278V97.9Very high97.8Very high0 Ų031.9 Ų31.90%015%0.153CC..Hα-helixtrans-67.8-48.1175176.70000111.7I248 F253 L274 R276 K280 Q281 L285 I289I248-V278 HydrophobicContact CD1-CG1 3.49Å; I248-V278 VanDerWaalsContact CD1-CG1 3.49Å; I248-V278 HydrophobicContact CG1-CG1 4.22Å; F253-V278 HydrophobicContact CZ-CB 4.36Å; F253-V278 HydrophobicContact CZ-CG1 3.97Å; F253-V278 HydrophobicContact CZ-CG2 4.38Å; L274-V278 HydrophobicContact CD1-CG2 4.17Å; L274-V278 WeakPolarHBondContact O-CG2 3.46Å; L274-V278 PolarHBondContact O-N 3.48Å; R276-V278 VanDerWaalsContact C-N 3.31Å; R276-V278 PolarHBondContact O-N 2.88Å; V278-K280 PolarHBondContact O-N 3.4Å; V278-Q281 PolarHBondContact O-N 3.23Å; V278-Q281 VanDerWaalsContact O-N 3.12Å; V278-L285 HydrophobicContact CG1-CB 3.91Å; V278-I289 HydrophobicContact CB-CD1 4.18Å; V278-I289 HydrophobicContact CG1-CD1 3.97Å; V278-I289 HydrophobicContact CG1-CG1 4.49Å
279A97.8Very high97.7Very high0 Ų031 Ų310%015%0.149CC..Hα-helixtrans-59.8-32.4-179.500000112.6M275 R276 Q281 S286 I289 M316 V320 H323M275-A279 VanDerWaalsContact O-CB 3.24Å; M275-A279 WeakPolarHBondContact O-CB 3.4Å; M275-A279 PolarHBondContact O-N 3.49Å; R276-A279 PolarHBondContact O-N 2.89Å; A279-Q281 VanDerWaalsContact C-N 3.27Å; A279-Q281 PolarHBondContact O-N 2.74Å; A279-S286 PolarHBondContact O-OG 3.31Å; A279-I289 HydrophobicContact CB-CD1 3.87Å; A279-M316 HydrophobicContact CB-CG 4.15Å; A279-V320 HydrophobicContact CB-CG2 3.79Å; A279-H323 PolarHBondContact O-NE2 3.35Å
280K97.3Very high97.6Very high95 Ų9529.3 Ų29.341%0.41315%0.145SC..Hα-helixtrans-65-26.9178.9179.8-178.7172.5-1630113.6R276 V278 Y319R276-K280 WeakPolarHBondContact O-CB 3.43Å; R276-K280 PolarHBondContact O-N 2.91Å; V278-K280 PolarHBondContact O-N 3.4Å; K280-Y319 HydrophobicContact CB-CD1 4.01Å; K280-Y319 HydrophobicContact CB-CD2 4Å; K280-Y319 HydrophobicContact CB-CE1 4.23Å; K280-Y319 HydrophobicContact CB-CE2 4.19Å; K280-Y319 HydrophobicContact CB-CG 3.92Å; K280-Y319 HydrophobicContact CD-CE1 4.05Å; K280-Y319 HydrophobicContact CD-CE2 4.12Å; K280-Y319 HydrophobicContact CG-CD1 3.89Å; K280-Y319 HydrophobicContact CG-CD2 4.45Å; K280-Y319 HydrophobicContact CG-CE1 3.69Å; K280-Y319 HydrophobicContact CG-CE2 4.25Å; K280-Y319 HydrophobicContact CG-CG 4.3Å
281Q96.8Very high97.5Very high43 Ų4333.1 Ų33.120%0.20117%0.165CC..Hα-helixtrans-70.7-60.4-168.9-63.9-55-25.600113.1S237 K238 I241 A244 E277 V278 A279 L285S237-Q281 PolarHBondContact O-NE2 3.38Å; K238-Q281 PolarHBondContact O-NE2 2.78Å; K238-Q281 VanDerWaalsContact O-NE2 3.14Å; I241-Q281 HydrophobicContact CG1-CB 4.32Å; A244-Q281 HydrophobicContact CB-CG 3.95Å; E277-Q281 WeakPolarHBondContact O-CG 3.47Å; V278-Q281 PolarHBondContact O-N 3.23Å; V278-Q281 VanDerWaalsContact O-N 3.12Å; A279-Q281 VanDerWaalsContact C-N 3.27Å; A279-Q281 PolarHBondContact O-N 2.74Å; Q281-L285 HydrophobicContact CB-CD1 3.58Å; Q281-L285 HydrophobicContact CG-CD1 4.23Å
282T97.6Very high97.2Very high15 Ų1536.5 Ų36.59%0.09219%0.188CC..  trans-147.3160.2-175.171.50000112.6I241 E284 L285 S286 H323I241-T282 HydrophobicContact CB-CG2 4.32Å; I241-T282 HydrophobicContact CD1-CG2 3.44Å; I241-T282 VanDerWaalsContact CD1-CG2 3.44Å; I241-T282 HydrophobicContact CG1-CG2 3.62Å; I241-T282 HydrophobicContact CG2-CG2 3.75Å; T282-E284 VanDerWaalsContact C-N 3.27Å; T282-E284 VanDerWaalsContact CB-OE2 3.26Å; T282-E284 WeakPolarHBondContact CB-OE2 3.33Å; T282-E284 PolarHBondContact O-N 3.48Å; T282-E284 PolarHBondContact OG1-N 2.79Å; T282-E284 PolarHBondContact OG1-OE2 2.95Å; T282-L285 HydrophobicContact CG2-CD1 4.44Å; T282-L285 PolarHBondContact O-N 3.28Å; T282-L285 VanDerWaalsContact OG1-CG 3.31Å; T282-L285 WeakPolarHBondContact OG1-CG 3.49Å; T282-L285 PolarHBondContact OG1-N 2.96Å; T282-L285 VanDerWaalsContact OG1-N 3.15Å; T282-S286 PolarHBondContact O-N 2.98Å; T282-S286 VanDerWaalsContact O-N 3.08Å; T282-S286 PolarHBondContact O-OG 3.04Å; T282-H323 PolarHBondContact O-NE2 2.81Å
283P97.9Very high97.1Very high42 Ų4238 Ų3827%0.27320%0.203SC..Hα-helixtrans-59.2-35.817017.6-28000113.1S286 Q287 H323 L327P283-S286 WeakPolarHBondContact O-CB 3.39Å; P283-S286 PolarHBondContact O-N 3.26Å; P283-Q287 WeakPolarHBondContact O-CB 3.02Å; P283-Q287 PolarHBondContact O-N 2.9Å; P283-H323 HydrophobicContact CB-CB 4.01Å; P283-L327 HydrophobicContact CB-CD1 4.04Å
284E97.6Very high96.9Very high125 Ų12537 Ų3758%0.58420%0.197SC*.Hα-helixtrans-65.1-45.5-179.4-63.270.8-152.400111.1T282 S286 Q287 L288T282-E284 VanDerWaalsContact C-N 3.27Å; T282-E284 VanDerWaalsContact CB-OE2 3.26Å; T282-E284 WeakPolarHBondContact CB-OE2 3.33Å; T282-E284 PolarHBondContact O-N 3.48Å; T282-E284 PolarHBondContact OG1-N 2.79Å; T282-E284 PolarHBondContact OG1-OE2 2.95Å; E284-S286 VanDerWaalsContact C-N 3.34Å; E284-Q287 WeakPolarHBondContact O-CB 3.36Å; E284-Q287 PolarHBondContact O-N 3.01Å; E284-L288 WeakPolarHBondContact O-CG 3.36Å; E284-L288 PolarHBondContact O-N 3.33Å
285L97.1Very high96.9Very high4 Ų437 Ų372%0.02120%0.197CC..Hα-helixtrans-67.7-37177.6-63.4171.2000111.3I241 A244 E245 I248 V278 Q281 T282 L288 I289I241-L285 HydrophobicContact CG2-CD1 4.04Å; A244-L285 HydrophobicContact CB-CD1 4Å; E245-L285 HydrophobicContact CG-CD2 3.76Å; I248-L285 HydrophobicContact CD1-CB 4.47Å; I248-L285 HydrophobicContact CD1-CD2 3.36Å; I248-L285 HydrophobicContact CD1-CG 4.41Å; V278-L285 HydrophobicContact CG1-CB 3.91Å; Q281-L285 HydrophobicContact CB-CD1 3.58Å; Q281-L285 HydrophobicContact CG-CD1 4.23Å; T282-L285 HydrophobicContact CG2-CD1 4.44Å; T282-L285 PolarHBondContact O-N 3.28Å; T282-L285 VanDerWaalsContact OG1-CG 3.31Å; T282-L285 WeakPolarHBondContact OG1-CG 3.49Å; T282-L285 PolarHBondContact OG1-N 2.96Å; T282-L285 VanDerWaalsContact OG1-N 3.15Å; L285-L288 HydrophobicContact CD2-CD1 4.25Å; L285-L288 PolarHBondContact O-N 3.02Å; L285-I289 WeakPolarHBondContact O-CG1 3.46Å; L285-I289 PolarHBondContact O-N 3.41Å
286S97.8Very high96.9Very high0 Ų039.5 Ų39.50%022%0.215CC..Hα-helixtrans-61-44.2170-70.30000111.9A279 T282 P283 E284 L288 I289 V290 H323A279-S286 PolarHBondContact O-OG 3.31Å; T282-S286 PolarHBondContact O-N 2.98Å; T282-S286 VanDerWaalsContact O-N 3.08Å; T282-S286 PolarHBondContact O-OG 3.04Å; P283-S286 WeakPolarHBondContact O-CB 3.39Å; P283-S286 PolarHBondContact O-N 3.26Å; E284-S286 VanDerWaalsContact C-N 3.34Å; S286-L288 VanDerWaalsContact C-N 3.3Å; S286-L288 PolarHBondContact O-N 3.39Å; S286-I289 WeakPolarHBondContact O-CB 3.47Å; S286-I289 PolarHBondContact O-N 3.21Å; S286-I289 VanDerWaalsContact O-N 3.12Å; S286-V290 WeakPolarHBondContact O-CG2 3.4Å; S286-V290 PolarHBondContact O-N 3.12Å; S286-H323 PolarHBondContact OG-CD2 3.33Å; S286-H323 VanDerWaalsContact OG-CD2 3.24Å; S286-H323 PolarHBondContact OG-NE2 3.08Å
287Q97.5Very high96.9Very high71 Ų7141.6 Ų41.633%0.33223%0.225SC..Hα-helixtrans-62.8-36.7178.4-171.962.760.200111.8P283 E284 V290 N291 L327P283-Q287 WeakPolarHBondContact O-CB 3.02Å; P283-Q287 PolarHBondContact O-N 2.9Å; E284-Q287 WeakPolarHBondContact O-CB 3.36Å; E284-Q287 PolarHBondContact O-N 3.01Å; Q287-V290 WeakPolarHBondContact O-CB 3.4Å; Q287-V290 PolarHBondContact O-N 2.89Å; Q287-N291 PolarHBondContact NE2-OD1 2.75Å; Q287-N291 WeakPolarHBondContact O-CB 3.45Å; Q287-N291 PolarHBondContact O-N 3.18Å; Q287-N291 PolarHBondContact O-ND2 2.87Å; Q287-N291 PolarHBondContact O-OD1 3.44Å; Q287-L327 HydrophobicContact CB-CD2 4.26Å; Q287-L327 VanDerWaalsContact OE1-CD2 3.3Å
288L95.9Very high96.9Very high74 Ų7440.8 Ų40.839%0.38722%0.221SC..Hα-helixtrans-60.7-44.1172.3-70.6175000111.7I248 E284 L285 S286 V290 N291 C292I248-L288 HydrophobicContact CD1-CD1 4.39Å; I248-L288 HydrophobicContact CG2-CD1 4.31Å; E284-L288 WeakPolarHBondContact O-CG 3.36Å; E284-L288 PolarHBondContact O-N 3.33Å; L285-L288 HydrophobicContact CD2-CD1 4.25Å; L285-L288 PolarHBondContact O-N 3.02Å; S286-L288 VanDerWaalsContact C-N 3.3Å; S286-L288 PolarHBondContact O-N 3.39Å; L288-V290 VanDerWaalsContact C-N 3.29Å; L288-V290 PolarHBondContact O-N 2.99Å; L288-N291 PolarHBondContact O-N 2.71Å; L288-C292 WeakPolarHBondContact O-CB 3.21Å; L288-C292 PolarHBondContact O-N 2.96Å; L288-C292 PolarHBondContact O-SG 3.45Å
289I95.9Very high96.9Very high0 Ų041.5 Ų41.50%023%0.225CC..Hα-helixtrans-61.5-40.7176-60.6165.2000111.1F253 V278 A279 L285 S286 C292 G293 G294 M316F253-I289 HydrophobicContact CE1-CG1 4.38Å; F253-I289 HydrophobicContact CE2-CG1 3.77Å; F253-I289 HydrophobicContact CZ-CD1 4.18Å; F253-I289 HydrophobicContact CZ-CG1 3.56Å; V278-I289 HydrophobicContact CB-CD1 4.18Å; V278-I289 HydrophobicContact CG1-CD1 3.97Å; V278-I289 HydrophobicContact CG1-CG1 4.49Å; A279-I289 HydrophobicContact CB-CD1 3.87Å; L285-I289 WeakPolarHBondContact O-CG1 3.46Å; L285-I289 PolarHBondContact O-N 3.41Å; S286-I289 WeakPolarHBondContact O-CB 3.47Å; S286-I289 PolarHBondContact O-N 3.21Å; S286-I289 VanDerWaalsContact O-N 3.12Å; I289-C292 PolarHBondContact O-N 2.97Å; I289-G293 PolarHBondContact O-N 2.94Å; I289-G294 WeakPolarHBondContact O-CA 3.48Å; I289-G294 PolarHBondContact O-N 2.99Å; I289-M316 HydrophobicContact CB-CE 4.3Å; I289-M316 HydrophobicContact CD1-CE 4.22Å; I289-M316 HydrophobicContact CG2-CE 3.29Å
290V96.6Very high96.9Very high30 Ų3044.8 Ų44.818%0.18224%0.243CC..Hα-helixtrans-61.5-49.9175.5176.60000111S286 Q287 L288 C292 G293 L295 V320 L327 A330S286-V290 WeakPolarHBondContact O-CG2 3.4Å; S286-V290 PolarHBondContact O-N 3.12Å; Q287-V290 WeakPolarHBondContact O-CB 3.4Å; Q287-V290 PolarHBondContact O-N 2.89Å; L288-V290 VanDerWaalsContact C-N 3.29Å; L288-V290 PolarHBondContact O-N 2.99Å; V290-C292 PolarHBondContact O-N 3.34Å; V290-G293 PolarHBondContact O-N 3.18Å; V290-L295 HydrophobicContact CB-CD1 4.5Å; V290-L295 HydrophobicContact CG1-CD1 4.32Å; V290-L295 HydrophobicContact CG2-CD1 3.72Å; V290-L295 HydrophobicContact CG2-CG 4.02Å; V290-V320 HydrophobicContact CG2-CG1 4.18Å; V290-L327 HydrophobicContact CG2-CD2 3.88Å; V290-A330 HydrophobicContact CG1-CB 3.9Å; V290-A330 HydrophobicContact CG2-CB 4.33Å
291N95.2Very high96.9Very high112 Ų11240.3 Ų40.360%0.59922%0.223SC*.Hα-helixtrans-61.7-33.7-177.8-68.5-9.8000112.4Q287 L288 G293Q287-N291 PolarHBondContact NE2-OD1 2.75Å; Q287-N291 WeakPolarHBondContact O-CB 3.45Å; Q287-N291 PolarHBondContact O-N 3.18Å; Q287-N291 PolarHBondContact O-ND2 2.87Å; Q287-N291 PolarHBondContact O-OD1 3.44Å; L288-N291 PolarHBondContact O-N 2.71Å; N291-G293 PolarHBondContact O-N 3.42Å
292C93.1Very high97Very high71 Ų7138.3 Ų38.348%0.4821%0.214SC..THydrogen-bonded Turntrans-80.63.5176.5-63.20000113.7F257 L288 I289 V290 G294F257-C292 HydrophobicContact CE2-CB 3.76Å; F257-C292 WeakPolarHBondContact CE2-O 3.44Å; F257-C292 HydrophobicContact CZ-CB 3.98Å; L288-C292 WeakPolarHBondContact O-CB 3.21Å; L288-C292 PolarHBondContact O-N 2.96Å; L288-C292 PolarHBondContact O-SG 3.45Å; I289-C292 PolarHBondContact O-N 2.97Å; V290-C292 PolarHBondContact O-N 3.34Å; C292-G294 VanDerWaalsContact C-N 3.33Å
293G94.8Very high97Very high31 Ų3139.3 Ų39.332%0.3223%0.227SC..THydrogen-bonded Turntrans75.418.5-179.800000114.3I289 V290 N291 L295 S296I289-G293 PolarHBondContact O-N 2.94Å; V290-G293 PolarHBondContact O-N 3.18Å; N291-G293 PolarHBondContact O-N 3.42Å; G293-L295 VanDerWaalsContact C-N 3.33Å; G293-L295 PolarHBondContact O-N 3.35Å; G293-S296 PolarHBondContact O-N 2.94Å
294G96Very high96.9Very high0 Ų041.9 Ų41.90%024%0.235CC..Hα-helixtrans-65.7-31.4-174.800000114I289 C292 S296 K297 V298I289-G294 WeakPolarHBondContact O-CA 3.48Å; I289-G294 PolarHBondContact O-N 2.99Å; C292-G294 VanDerWaalsContact C-N 3.33Å; G294-S296 PolarHBondContact O-N 3.4Å; G294-K297 PolarHBondContact O-N 3.31Å; G294-V298 WeakPolarHBondContact O-CG2 3.39Å; G294-V298 PolarHBondContact O-N 3.28Å
295L97.8Very high96.8Very high2 Ų236 Ų361%0.0121%0.208CC..Hα-helixtrans-58-50.3177.7-70.1-177000112.1V290 G293 K297 V298 I299 M316 L317 V320 A330 V331 C334V290-L295 HydrophobicContact CB-CD1 4.5Å; V290-L295 HydrophobicContact CG1-CD1 4.32Å; V290-L295 HydrophobicContact CG2-CD1 3.72Å; V290-L295 HydrophobicContact CG2-CG 4.02Å; G293-L295 VanDerWaalsContact C-N 3.33Å; G293-L295 PolarHBondContact O-N 3.35Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3.39Å; L295-V298 PolarHBondContact O-N 3.15Å; L295-I299 WeakPolarHBondContact O-CB 3.5Å; L295-I299 WeakPolarHBondContact O-CD1 3.48Å; L295-I299 VanDerWaalsContact O-CG1 3.26Å; L295-I299 WeakPolarHBondContact O-CG1 3.33Å; L295-I299 PolarHBondContact O-N 2.97Å; L295-M316 HydrophobicContact CD2-CE 4.18Å; L295-M316 HydrophobicContact CD2-SD 4.28Å; L295-L317 HydrophobicContact CD2-CD2 3.62Å; L295-V320 HydrophobicContact CD2-CG1 4.28Å; L295-V320 HydrophobicContact CD2-CG2 4.29Å; L295-A330 HydrophobicContact CD1-CB 3.96Å; L295-V331 HydrophobicContact CD1-CG2 4.07Å; L295-V331 HydrophobicContact CD2-CG2 4.02Å; L295-C334 HydrophobicContact CB-CB 4.08Å
296S97.5Very high96.7Very high52 Ų5241.6 Ų41.636%0.36423%0.234SC..Hα-helixtrans-61.4-39.8179.5-54.30000111.6G293 G294 I299 D300G293-S296 PolarHBondContact O-N 2.94Å; G294-S296 PolarHBondContact O-N 3.4Å; S296-I299 PolarHBondContact O-N 3.14Å; S296-D300 VanDerWaalsContact O-CG 3.29Å; S296-D300 PolarHBondContact O-N 3.42Å
297K98.1Very high96.6Very high90 Ų9042.3 Ų42.339%0.39124%0.241SC..Hα-helixtrans-66.7-39.9178.5-60.7-62.5179.8-169.40112.7F257 L260 G294 L295 Y301F257-K297 HydrophobicContact CB-CG 4.14Å; F257-K297 HydrophobicContact CD1-CB 4.17Å; F257-K297 HydrophobicContact CD1-CG 4.25Å; F257-K297 HydrophobicContact CG-CG 4.2Å; L260-K297 HydrophobicContact CD1-CB 3.79Å; G294-K297 PolarHBondContact O-N 3.31Å; L295-K297 VanDerWaalsContact C-N 3.29Å; L295-K297 PolarHBondContact O-N 3.39Å; K297-Y301 WeakPolarHBondContact O-CB 3.38Å; K297-Y301 PolarHBondContact O-N 3.37Å
298V98.2Very high96.5Very high0 Ų042.5 Ų42.50%024%0.242CC..Hα-helixtrans-67.6-38.3174.8172.70000110.8L260 M275 G294 L295 Y301 L302 M316 L317L260-V298 HydrophobicContact CD1-CG2 4.3Å; M275-V298 HydrophobicContact SD-CG2 3.59Å; M275-V298 VanDerWaalsContact SD-CG2 3.59Å; G294-V298 WeakPolarHBondContact O-CG2 3.39Å; G294-V298 PolarHBondContact O-N 3.28Å; L295-V298 PolarHBondContact O-N 3.15Å; V298-Y301 WeakPolarHBondContact O-CB 3.49Å; V298-Y301 PolarHBondContact O-N 3.4Å; V298-L302 VanDerWaalsContact O-CG 3.32Å; V298-L302 WeakPolarHBondContact O-CG 3.48Å; V298-L302 PolarHBondContact O-N 3.46Å; V298-M316 HydrophobicContact CB-SD 4.49Å; V298-M316 HydrophobicContact CG1-SD 4.3Å; V298-M316 HydrophobicContact CG2-CE 4.19Å; V298-M316 HydrophobicContact CG2-SD 4.21Å; V298-L317 HydrophobicContact CG1-CD2 4.42Å; V298-L317 HydrophobicContact CG1-CG 4.44Å
299I98.4Very high96.5Very high14 Ų1440.5 Ų40.57%0.07223%0.231CC..Hα-helixtrans-64.8-45.7177-71.7165.3000111.2L295 S296 Y301 L302 G303 L317 C334 Q339L295-I299 WeakPolarHBondContact O-CB 3.5Å; L295-I299 WeakPolarHBondContact O-CD1 3.48Å; L295-I299 VanDerWaalsContact O-CG1 3.26Å; L295-I299 WeakPolarHBondContact O-CG1 3.33Å; L295-I299 PolarHBondContact O-N 2.97Å; S296-I299 PolarHBondContact O-N 3.14Å; I299-Y301 VanDerWaalsContact C-N 3.3Å; I299-Y301 PolarHBondContact O-N 3.12Å; I299-L302 WeakPolarHBondContact O-CB 3.26Å; I299-L302 PolarHBondContact O-N 3.47Å; I299-L302 VanDerWaalsContact O-N 3.15Å; I299-G303 PolarHBondContact O-N 2.85Å; I299-L317 HydrophobicContact CG1-CD1 4.01Å; I299-L317 HydrophobicContact CG1-CD2 4.28Å; I299-C334 HydrophobicContact CD1-CB 3.69Å; I299-C334 WeakPolarHBondContact CD1-O 3.29Å; I299-Q339 HydrophobicContact CG2-CB 3.98Å; I299-Q339 HydrophobicContact CG2-CG 4.07Å
300D98Very high96.6Very high70 Ų7040.6 Ų40.637%0.37423%0.232SC..Hα-helixtrans-56.9-46.2173-68.2-15.3000110.6S296 L302 G303 E304S296-D300 VanDerWaalsContact O-CG 3.29Å; S296-D300 PolarHBondContact O-N 3.42Å; D300-L302 VanDerWaalsContact C-N 3.31Å; D300-L302 PolarHBondContact O-N 3.12Å; D300-G303 PolarHBondContact O-N 3.09Å; D300-G303 VanDerWaalsContact O-N 3.09Å; D300-E304 WeakPolarHBondContact O-CG 3.27Å; D300-E304 PolarHBondContact O-N 3.21Å
301Y98.1Very high96.7Very high1 Ų140.7 Ų40.70%0.00423%0.231CC..Hα-helixtrans-57.4-41.3175.9162.7-101.9000112.9L260 R268 A272 K297 V298 I299 G303 E304 S305 L309L260-Y301 HydrophobicContact CD2-CD1 4.41Å; L260-Y301 HydrophobicContact CD2-CD2 4.07Å; L260-Y301 HydrophobicContact CD2-CG 3.94Å; R268-Y301 HydrophobicContact CB-CD2 4.08Å; R268-Y301 HydrophobicContact CB-CE2 3.51Å; A272-Y301 HydrophobicContact CB-CD1 4.38Å; A272-Y301 HydrophobicContact CB-CE1 3.81Å; K297-Y301 WeakPolarHBondContact O-CB 3.38Å; K297-Y301 PolarHBondContact O-N 3.37Å; V298-Y301 WeakPolarHBondContact O-CB 3.49Å; V298-Y301 PolarHBondContact O-N 3.4Å; I299-Y301 VanDerWaalsContact C-N 3.3Å; I299-Y301 PolarHBondContact O-N 3.12Å; Y301-G303 VanDerWaalsContact C-N 3.33Å; Y301-E304 CarbonylContact O-C 3.59Å; Y301-E304 PolarHBondContact O-N 3.37Å; Y301-S305 WeakPolarHBondContact CD2-OG 3.45Å; Y301-S305 WeakPolarHBondContact CE2-OG 3.34Å; Y301-S305 WeakPolarHBondContact O-CB 3.41Å; Y301-S305 PolarHBondContact O-N 3.16Å; Y301-S305 PolarHBondContact O-OG 3.29Å; Y301-L309 WeakPolarHBondContact CE1-O 3.48Å; Y301-L309 VanDerWaalsContact CZ-O 3.29Å; Y301-L309 VanDerWaalsContact OH-C 3.22Å; Y301-L309 PolarHBondContact OH-O 3.04Å
302L98.2Very high96.8Very high0 Ų035.6 Ų35.60%020%0.204CC..Hα-helixtrans-64.8-38.4176.1-69.3178.3000111.5V298 I299 D300 E304 S305 R310 I314 L317 Q339V298-L302 VanDerWaalsContact O-CG 3.32Å; V298-L302 WeakPolarHBondContact O-CG 3.48Å; V298-L302 PolarHBondContact O-N 3.46Å; I299-L302 WeakPolarHBondContact O-CB 3.26Å; I299-L302 PolarHBondContact O-N 3.47Å; I299-L302 VanDerWaalsContact O-N 3.15Å; D300-L302 VanDerWaalsContact C-N 3.31Å; D300-L302 PolarHBondContact O-N 3.12Å; L302-E304 VanDerWaalsContact C-N 3.31Å; L302-E304 PolarHBondContact O-N 3.24Å; L302-S305 PolarHBondContact O-N 3.16Å; L302-R310 HydrophobicContact CD2-CB 3.76Å; L302-R310 HydrophobicContact CD2-CG 3.98Å; L302-R310 VanDerWaalsContact CD2-O 3.27Å; L302-R310 WeakPolarHBondContact CD2-O 3.18Å; L302-R310 PolarHBondContact O-NE 3.43Å; L302-R310 PolarHBondContact O-NH2 3.37Å; L302-I314 HydrophobicContact CD1-CG1 4.26Å; L302-I314 HydrophobicContact CD2-CG1 3.96Å; L302-L317 HydrophobicContact CD1-CD1 3.78Å; L302-Q339 HydrophobicContact CB-CG 3.85Å; L302-Q339 HydrophobicContact CD1-CG 4.37Å
303G96.9Very high97.1Very high37 Ų3732.2 Ų32.238%0.38118%0.181SC..Hα-helixtrans-64.8-34.8175.200000113.2I299 D300 Y301I299-G303 PolarHBondContact O-N 2.85Å; D300-G303 PolarHBondContact O-N 3.09Å; D300-G303 VanDerWaalsContact O-N 3.09Å; Y301-G303 VanDerWaalsContact C-N 3.33Å
304E96.1Very high97.3Very high95 Ų9530.7 Ų30.744%0.44417%0.166SC..THydrogen-bonded Turntrans-92.99.9-178.1-63.4172.1-178.400113.8K261 R268 D300 Y301 L302K261-E304 IonicContact NZ-OE1 2.84Å; K261-E304 PolarHBondContact NZ-OE1 3.34Å; R268-E304 PolarHBondContact NH1-O 2.85Å; R268-E304 PolarHBondContact NH2-O 3.38Å; R268-E304 VanDerWaalsContact NH2-O 3.11Å; R268-E304 IonicContact NH2-OE2 3.14Å; D300-E304 WeakPolarHBondContact O-CG 3.27Å; D300-E304 PolarHBondContact O-N 3.21Å; Y301-E304 CarbonylContact O-C 3.59Å; Y301-E304 PolarHBondContact O-N 3.37Å; L302-E304 VanDerWaalsContact C-N 3.31Å; L302-E304 PolarHBondContact O-N 3.24Å
305S95.8Very high97.4Very high2 Ų232.7 Ų32.71%0.01418%0.176CC..  trans-132.8163-175.6-58.40000111.2R268 Y301 L302 R310R268-S305 PolarHBondContact NH2-OG 3.08Å; Y301-S305 WeakPolarHBondContact CD2-OG 3.45Å; Y301-S305 WeakPolarHBondContact CE2-OG 3.34Å; Y301-S305 WeakPolarHBondContact O-CB 3.41Å; Y301-S305 PolarHBondContact O-N 3.16Å; Y301-S305 PolarHBondContact O-OG 3.29Å; L302-S305 PolarHBondContact O-N 3.16Å; S305-R310 PolarHBondContact O-NE 3.13Å; S305-R310 PolarHBondContact O-NH2 3.13Å; S305-R310 VanDerWaalsContact O-NH2 3.08Å
306H95.6Very high97.4Very high122 Ų12232.6 Ų32.657%0.56518%0.175SC*.  trans-142.1160.5174.3-60.4-75.1000111.1E346H306-E346 IonicContact CE1-OE2 2.74Å; H306-E346 IonicContact ND1-OE2 2.84Å
307G95.4Very high97.5Very high14 Ų1430.1 Ų30.114%0.14416%0.158CC..G310 helixtrans61-141.5174.500000112.5L309 R310 E347 I352G307-L309 PolarHBondContact O-N 2.85Å; G307-R310 PolarHBondContact O-N 3.37Å; G307-E347 WeakPolarHBondContact CA-OE2 3.5Å; G307-E347 VanDerWaalsContact N-CD 3.33Å; G307-E347 PolarHBondContact N-OE1 3.44Å; G307-E347 PolarHBondContact N-OE2 3.34Å; G307-I352 WeakPolarHBondContact O-CD1 3.42Å
308Q95Very high97.5Very high76 Ų7625.8 Ų25.836%0.35514%0.139SC..G310 helixtrans-58-17-174-67.6-71.11.900115.3E349 H351Q308-E349 VanDerWaalsContact CD-OE2 3.3Å; Q308-E349 PolarHBondContact NE2-OE2 2.65Å; Q308-H351 PolarHBondContact NE2-CE1 3.3Å; Q308-H351 PolarHBondContact NE2-NE2 2.97Å; Q308-H351 PolarHBondContact OE1-NE2 3.5Å
309L96.2Very high97.5Very high31 Ų3128.2 Ų28.216%0.16215%0.149CC..G310 helixtrans-69.7-37.6173.7-59179.2000111D265 K269 Y301 G307 L311 P312D265-L309 HydrophobicContact CB-CD1 3.71Å; D265-L309 HydrophobicContact CB-CD2 3.88Å; D265-L309 HydrophobicContact CB-CG 4.46Å; D265-L309 VanDerWaalsContact CG-CD1 3.46Å; K269-L309 HydrophobicContact CB-CD2 3.95Å; K269-L309 HydrophobicContact CD-CD2 4.28Å; K269-L309 HydrophobicContact CG-CD2 4.45Å; Y301-L309 WeakPolarHBondContact CE1-O 3.48Å; Y301-L309 VanDerWaalsContact CZ-O 3.29Å; Y301-L309 VanDerWaalsContact OH-C 3.22Å; Y301-L309 PolarHBondContact OH-O 3.04Å; G307-L309 PolarHBondContact O-N 2.85Å; L309-L311 VanDerWaalsContact C-N 3.3Å; L309-L311 PolarHBondContact O-N 3.13Å; L309-P312 VanDerWaalsContact O-CD 3.31Å; L309-P312 WeakPolarHBondContact O-CD 3.41Å
310R97.3Very high97.6Very high2 Ų227.5 Ų27.51%0.00815%0.145CC..Hα-helixtrans-68.2-29-178.7-70.7-165.7171.9151.8-9.4113.5L302 S305 G307 G313 I314 E346 E347L302-R310 HydrophobicContact CD2-CB 3.76Å; L302-R310 HydrophobicContact CD2-CG 3.98Å; L302-R310 VanDerWaalsContact CD2-O 3.27Å; L302-R310 WeakPolarHBondContact CD2-O 3.18Å; L302-R310 PolarHBondContact O-NE 3.43Å; L302-R310 PolarHBondContact O-NH2 3.37Å; S305-R310 PolarHBondContact O-NE 3.13Å; S305-R310 PolarHBondContact O-NH2 3.13Å; S305-R310 VanDerWaalsContact O-NH2 3.08Å; G307-R310 PolarHBondContact O-N 3.37Å; R310-G313 PolarHBondContact O-N 3.01Å; R310-G313 VanDerWaalsContact O-N 3.09Å; R310-I314 HydrophobicContact CB-CD1 3.68Å; R310-I314 HydrophobicContact CB-CG1 4.36Å; R310-I314 WeakPolarHBondContact O-CG1 3.27Å; R310-I314 PolarHBondContact O-N 2.9Å; R310-E346 IonicContact CZ-OE2 2.8Å; R310-E346 VanDerWaalsContact CZ-OE2 3.26Å; R310-E346 IonicContact NH1-OE2 3.37Å; R310-E346 PolarHBondContact NH1-OE2 2.89Å; R310-E346 IonicContact NH2-OE2 2.61Å; R310-E346 PolarHBondContact NH2-OE2 3.33Å; R310-E347 WeakPolarHBondContact CD-OE1 3.49Å; R310-E347 IonicContact CZ-OE1 3.74Å; R310-E347 IonicContact NE-OE1 3.14Å; R310-E347 IonicContact NH1-OE1 3.72Å; R310-E347 PolarHBondContact NH1-OE1 2.7Å
311L98.2Very high97.6Very high33 Ų3324.2 Ų24.217%0.17313%0.127CC..Hα-helixtrans-53.2-50.4-168.9178.264.7000114L309 G313 I314 M315 A355L309-L311 VanDerWaalsContact C-N 3.3Å; L309-L311 PolarHBondContact O-N 3.13Å; L311-G313 VanDerWaalsContact C-N 3.34Å; L311-G313 PolarHBondContact O-N 3.46Å; L311-I314 PolarHBondContact O-N 2.7Å; L311-M315 HydrophobicContact CD1-CG 4.18Å; L311-M315 HydrophobicContact CD1-SD 4.07Å; L311-M315 HydrophobicContact CG-SD 4.23Å; L311-M315 WeakPolarHBondContact O-CG 3.28Å; L311-M315 PolarHBondContact O-N 3.18Å; L311-A355 HydrophobicContact CD1-CB 3.4Å; L311-A355 VanDerWaalsContact CD1-CB 3.4Å
312P98.5Very high97.6Very high4 Ų425.8 Ų25.83%0.02614%0.141CC..Hα-helixtrans-64.5-37.1179.5-20.133.7000113.1K269 A272 L309 M315 M316K269-P312 HydrophobicContact CG-CG 4.18Å; A272-P312 HydrophobicContact CB-CB 3.88Å; L309-P312 VanDerWaalsContact O-CD 3.31Å; L309-P312 WeakPolarHBondContact O-CD 3.41Å; P312-M315 PolarHBondContact O-N 2.87Å; P312-M316 WeakPolarHBondContact O-CB 2.97Å; P312-M316 PolarHBondContact O-N 3.1Å
313G98.5Very high97.5Very high0 Ų028.7 Ų28.70%015%0.154CC..Hα-helixtrans-67.8-42.1177.700000112.6R310 L311 M315 M316 L317R310-G313 PolarHBondContact O-N 3.01Å; R310-G313 VanDerWaalsContact O-N 3.09Å; L311-G313 VanDerWaalsContact C-N 3.34Å; L311-G313 PolarHBondContact O-N 3.46Å; G313-M315 VanDerWaalsContact C-N 3.35Å; G313-M315 PolarHBondContact O-N 3.26Å; G313-M316 PolarHBondContact O-N 3.4Å; G313-L317 PolarHBondContact O-N 3.19Å; G313-L317 VanDerWaalsContact O-N 3.16Å
314I98.8Very high97.6Very high0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-58.1-49173.8-71.5160.4000110.3L302 R310 L311 M316 L317 G318 L340 C343 I352 A355 T356 S359L302-I314 HydrophobicContact CD1-CG1 4.26Å; L302-I314 HydrophobicContact CD2-CG1 3.96Å; R310-I314 HydrophobicContact CB-CD1 3.68Å; R310-I314 HydrophobicContact CB-CG1 4.36Å; R310-I314 WeakPolarHBondContact O-CG1 3.27Å; R310-I314 PolarHBondContact O-N 2.9Å; L311-I314 PolarHBondContact O-N 2.7Å; I314-M316 VanDerWaalsContact C-N 3.33Å; I314-M316 PolarHBondContact O-N 2.93Å; I314-L317 PolarHBondContact O-N 3.26Å; I314-G318 PolarHBondContact O-N 3.28Å; I314-L340 HydrophobicContact CB-CD2 4.33Å; I314-L340 HydrophobicContact CG1-CD2 4.06Å; I314-L340 HydrophobicContact CG2-CD2 3.96Å; I314-C343 HydrophobicContact CD1-CB 4.21Å; I314-I352 HydrophobicContact CD1-CG2 3.78Å; I314-A355 HydrophobicContact CG2-CB 4.26Å; I314-T356 WeakPolarHBondContact CD1-OG1 3.36Å; I314-S359 PolarHBondContact O-OG 3.45Å
315M98.7Very high97.7Very high41 Ų4130 Ų3020%0.20215%0.152CC..Hα-helixtrans-65.5-36.9-179.9-69.7-178.377.200112.1R276 L311 P312 G313 G318 Y319 A355R276-M315 HydrophobicContact CG-CB 3.97Å; L311-M315 HydrophobicContact CD1-CG 4.18Å; L311-M315 HydrophobicContact CD1-SD 4.07Å; L311-M315 HydrophobicContact CG-SD 4.23Å; L311-M315 WeakPolarHBondContact O-CG 3.28Å; L311-M315 PolarHBondContact O-N 3.18Å; P312-M315 PolarHBondContact O-N 2.87Å; G313-M315 VanDerWaalsContact C-N 3.35Å; G313-M315 PolarHBondContact O-N 3.26Å; M315-G318 PolarHBondContact O-N 2.96Å; M315-Y319 HydrophobicContact CB-CD2 4.48Å; M315-Y319 HydrophobicContact CB-CE2 4.38Å; M315-Y319 HydrophobicContact CE-CE2 4.05Å; M315-Y319 WeakPolarHBondContact O-CD2 3.31Å; M315-Y319 PolarHBondContact O-N 3.4Å; M315-A355 HydrophobicContact CG-CB 4.24Å
316M98.6Very high97.8Very high0 Ų034.2 Ų34.20%018%0.182CC..Hα-helixtrans-58.7-48.4176.3179.4-83.1-168.900111.1M275 R276 A279 I289 L295 V298 P312 G313 I314 G318 Y319 V320M275-M316 HydrophobicContact CB-CE 4.32Å; M275-M316 HydrophobicContact CB-CG 4.02Å; R276-M316 HydrophobicContact CB-CB 4Å; R276-M316 HydrophobicContact CG-CB 4.49Å; A279-M316 HydrophobicContact CB-CG 4.15Å; I289-M316 HydrophobicContact CB-CE 4.3Å; I289-M316 HydrophobicContact CD1-CE 4.22Å; I289-M316 HydrophobicContact CG2-CE 3.29Å; L295-M316 HydrophobicContact CD2-CE 4.18Å; L295-M316 HydrophobicContact CD2-SD 4.28Å; V298-M316 HydrophobicContact CB-SD 4.49Å; V298-M316 HydrophobicContact CG1-SD 4.3Å; V298-M316 HydrophobicContact CG2-CE 4.19Å; V298-M316 HydrophobicContact CG2-SD 4.21Å; P312-M316 WeakPolarHBondContact O-CB 2.97Å; P312-M316 PolarHBondContact O-N 3.1Å; G313-M316 PolarHBondContact O-N 3.4Å; I314-M316 VanDerWaalsContact C-N 3.33Å; I314-M316 PolarHBondContact O-N 2.93Å; M316-G318 VanDerWaalsContact C-N 3.28Å; M316-G318 PolarHBondContact O-N 3.06Å; M316-Y319 PolarHBondContact O-N 3.42Å; M316-V320 HydrophobicContact CE-CG2 4.16Å; M316-V320 WeakPolarHBondContact O-CG2 3.29Å; M316-V320 PolarHBondContact O-N 3.45Å; M316-V320 HydrophobicContact SD-CG2 4.12Å
317L98.8Very high97.9Very high0 Ų028.5 Ų28.50%016%0.155CC..Hα-helixtrans-60.2-39.5176.3-62.3-179.5000112L295 V298 I299 L302 G313 I314 A321 V331 L340L295-L317 HydrophobicContact CD2-CD2 3.62Å; V298-L317 HydrophobicContact CG1-CD2 4.42Å; V298-L317 HydrophobicContact CG1-CG 4.44Å; I299-L317 HydrophobicContact CG1-CD1 4.01Å; I299-L317 HydrophobicContact CG1-CD2 4.28Å; L302-L317 HydrophobicContact CD1-CD1 3.78Å; G313-L317 PolarHBondContact O-N 3.19Å; G313-L317 VanDerWaalsContact O-N 3.16Å; I314-L317 PolarHBondContact O-N 3.26Å; L317-A321 WeakPolarHBondContact O-CB 2.74Å; L317-A321 PolarHBondContact O-N 2.94Å; L317-V331 HydrophobicContact CB-CG1 4.29Å; L317-V331 HydrophobicContact CD2-CG1 4.34Å; L317-L340 HydrophobicContact CD1-CD2 4.37Å; L317-L340 HydrophobicContact CD1-CG 4.38Å
318G98.6Very high98.1Very high0 Ų027.8 Ų27.80%015%0.148CC..Hα-helixtrans-64.9-43.2176.400000113I314 M315 M316 A321 A322 S359 Q362I314-G318 PolarHBondContact O-N 3.28Å; M315-G318 PolarHBondContact O-N 2.96Å; M316-G318 VanDerWaalsContact C-N 3.28Å; M316-G318 PolarHBondContact O-N 3.06Å; G318-A321 PolarHBondContact O-N 2.83Å; G318-A322 WeakPolarHBondContact O-CB 3.41Å; G318-A322 PolarHBondContact O-N 2.8Å; G318-S359 WeakPolarHBondContact CA-OG 3.28Å; G318-Q362 WeakPolarHBondContact O-CB 3.47Å
319Y98.8Very high98.2Very high50 Ų5026.6 Ų26.620%0.19614%0.143CC..Hα-helixtrans-65.1-41.5176.1-78.8-57.4000112.5R276 K280 M315 M316 A321 A322 H323 W358R276-Y319 HydrophobicContact CG-CD2 3.77Å; R276-Y319 HydrophobicContact CG-CE2 3.89Å; K280-Y319 HydrophobicContact CB-CD1 4.01Å; K280-Y319 HydrophobicContact CB-CD2 4Å; K280-Y319 HydrophobicContact CB-CE1 4.23Å; K280-Y319 HydrophobicContact CB-CE2 4.19Å; K280-Y319 HydrophobicContact CB-CG 3.92Å; K280-Y319 HydrophobicContact CD-CE1 4.05Å; K280-Y319 HydrophobicContact CD-CE2 4.12Å; K280-Y319 HydrophobicContact CG-CD1 3.89Å; K280-Y319 HydrophobicContact CG-CD2 4.45Å; K280-Y319 HydrophobicContact CG-CE1 3.69Å; K280-Y319 HydrophobicContact CG-CE2 4.25Å; K280-Y319 HydrophobicContact CG-CG 4.3Å; M315-Y319 HydrophobicContact CB-CD2 4.48Å; M315-Y319 HydrophobicContact CB-CE2 4.38Å; M315-Y319 HydrophobicContact CE-CE2 4.05Å; M315-Y319 WeakPolarHBondContact O-CD2 3.31Å; M315-Y319 PolarHBondContact O-N 3.4Å; M316-Y319 PolarHBondContact O-N 3.42Å; Y319-A321 VanDerWaalsContact C-N 3.33Å; Y319-A321 PolarHBondContact O-N 3.3Å; Y319-A322 PolarHBondContact O-N 3.03Å; Y319-H323 PolarHBondContact O-CD2 3.32Å; Y319-W358 AromaticContact CD1-CH2 3.68Å; Y319-W358 HydrophobicContact CD1-CH2 3.68Å; Y319-W358 HydrophobicContact CD1-CZ2 4.42Å; Y319-W358 HydrophobicContact CD2-CH2 4.43Å; Y319-W358 AromaticContact CE1-CH2 3.75Å; Y319-W358 HydrophobicContact CE1-CH2 3.75Å; Y319-W358 HydrophobicContact CE1-CZ2 4.25Å; Y319-W358 HydrophobicContact CG-CH2 4.02Å
320V98.7Very high98.3Very high0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-58.4-47.9174173.50000110.3A279 V290 L295 M316 A322 L327 V331A279-V320 HydrophobicContact CB-CG2 3.79Å; V290-V320 HydrophobicContact CG2-CG1 4.18Å; L295-V320 HydrophobicContact CD2-CG1 4.28Å; L295-V320 HydrophobicContact CD2-CG2 4.29Å; M316-V320 HydrophobicContact CE-CG2 4.16Å; M316-V320 WeakPolarHBondContact O-CG2 3.29Å; M316-V320 PolarHBondContact O-N 3.45Å; M316-V320 HydrophobicContact SD-CG2 4.12Å; V320-A322 VanDerWaalsContact C-N 3.32Å; V320-A322 PolarHBondContact O-N 3.39Å; V320-L327 HydrophobicContact CG1-CB 3.96Å; V320-L327 HydrophobicContact CG1-CD2 4.24Å; V320-L327 VanDerWaalsContact O-CB 3.24Å; V320-L327 WeakPolarHBondContact O-CB 3.27Å; V320-V331 HydrophobicContact CB-CG2 4.21Å; V320-V331 HydrophobicContact CG1-CG2 3.87Å
321A98.5Very high98.4Very high0 Ų025.9 Ų25.90%014%0.142CC..Hα-helixtrans-69.7-25.5-17900000114L317 G318 Y319 H323 A328 V331 Q362 I363 H366L317-A321 WeakPolarHBondContact O-CB 2.74Å; L317-A321 PolarHBondContact O-N 2.94Å; G318-A321 PolarHBondContact O-N 2.83Å; Y319-A321 VanDerWaalsContact C-N 3.33Å; Y319-A321 PolarHBondContact O-N 3.3Å; A321-H323 VanDerWaalsContact C-N 3.28Å; A321-H323 PolarHBondContact O-N 3.19Å; A321-A328 HydrophobicContact CB-CB 3.97Å; A321-V331 HydrophobicContact CB-CG2 4.42Å; A321-Q362 HydrophobicContact CB-CB 4.2Å; A321-I363 HydrophobicContact CB-CB 4.33Å; A321-I363 HydrophobicContact CB-CG1 3.46Å; A321-I363 VanDerWaalsContact CB-CG1 3.46Å; A321-H366 PolarHBondContact O-NE2 3.49Å
322A98.1Very high98.4Very high34 Ų3425.3 Ų25.328%0.28114%0.139SC..Hα-helixtrans-67.1-26.5-177.700000113.5G318 Y319 V320 Q362G318-A322 WeakPolarHBondContact O-CB 3.41Å; G318-A322 PolarHBondContact O-N 2.8Å; Y319-A322 PolarHBondContact O-N 3.03Å; V320-A322 VanDerWaalsContact C-N 3.32Å; V320-A322 PolarHBondContact O-N 3.39Å; A322-Q362 HydrophobicContact CB-CB 4.28Å; A322-Q362 HydrophobicContact CB-CG 4.01Å; A322-Q362 VanDerWaalsContact CB-OE1 3.25Å
323H97.5Very high98.4Very high61 Ų6131.5 Ų31.528%0.28217%0.171SC..Hα-helixtrans-71.9-49.5-171.9-73-61.8000113.8A279 T282 P283 S286 Y319 A321 L327A279-H323 PolarHBondContact O-NE2 3.35Å; T282-H323 PolarHBondContact O-NE2 2.81Å; P283-H323 HydrophobicContact CB-CB 4.01Å; S286-H323 PolarHBondContact OG-CD2 3.33Å; S286-H323 VanDerWaalsContact OG-CD2 3.24Å; S286-H323 PolarHBondContact OG-NE2 3.08Å; Y319-H323 PolarHBondContact O-CD2 3.32Å; A321-H323 VanDerWaalsContact C-N 3.28Å; A321-H323 PolarHBondContact O-N 3.19Å; H323-L327 HydrophobicContact CB-CD1 3.78Å
324N97.7Very high98.4Very high55 Ų5533.4 Ų33.429%0.29418%0.184SC..  trans-163.9168.8-179.463.361.1000112.7S326 L327 A328N324-S326 VanDerWaalsContact C-N 3.29Å; N324-S326 PolarHBondContact O-N 3.02Å; N324-S326 WeakPolarHBondContact OD1-CB 3.4Å; N324-S326 PolarHBondContact OD1-N 3.3Å; N324-L327 PolarHBondContact O-N 3.41Å; N324-L327 PolarHBondContact OD1-N 2.81Å; N324-A328 PolarHBondContact O-N 3.43Å
325E97.8Very high98.3Very high106 Ų10640.7 Ų40.750%0.49522%0.216SC..Hα-helixtrans-61.9-32.7-177.6-41.5-171.3163.100113.2M329 H366 T367 H370E325-M329 WeakPolarHBondContact O-CB 3.48Å; E325-M329 PolarHBondContact O-N 2.77Å; E325-H366 HydrophobicContact CB-CB 4.33Å; E325-H366 HydrophobicContact CG-CB 3.97Å; E325-T367 HydrophobicContact CB-CG2 4.42Å; E325-T367 HydrophobicContact CG-CG2 4.21Å; E325-T367 WeakPolarHBondContact OE2-CG2 3.38Å; E325-H370 PolarHBondContact O-CE1 3.21Å; E325-H370 VanDerWaalsContact O-CE1 3.29Å; E325-H370 PolarHBondContact O-NE2 3.36Å
326S98.2Very high98.3Very high90 Ų9038.8 Ų38.863%0.62921%0.206SC*.Hα-helixtrans-71.3-42-178.8-63.70000111.6N324 M329 A330N324-S326 VanDerWaalsContact C-N 3.29Å; N324-S326 PolarHBondContact O-N 3.02Å; N324-S326 WeakPolarHBondContact OD1-CB 3.4Å; N324-S326 PolarHBondContact OD1-N 3.3Å; S326-M329 PolarHBondContact O-N 2.69Å; S326-A330 PolarHBondContact O-N 3.11Å
327L98.4Very high98.3Very high1 Ų138.8 Ų38.81%0.00521%0.206CC..Hα-helixtrans-70.2-39.4176.1-70.7172.7000111.9P283 Q287 V290 V320 H323 N324 M329 A330 V331P283-L327 HydrophobicContact CB-CD1 4.04Å; Q287-L327 HydrophobicContact CB-CD2 4.26Å; Q287-L327 VanDerWaalsContact OE1-CD2 3.3Å; V290-L327 HydrophobicContact CG2-CD2 3.88Å; V320-L327 HydrophobicContact CG1-CB 3.96Å; V320-L327 HydrophobicContact CG1-CD2 4.24Å; V320-L327 VanDerWaalsContact O-CB 3.24Å; V320-L327 WeakPolarHBondContact O-CB 3.27Å; H323-L327 HydrophobicContact CB-CD1 3.78Å; N324-L327 PolarHBondContact O-N 3.41Å; N324-L327 PolarHBondContact OD1-N 2.81Å; L327-M329 VanDerWaalsContact C-N 3.29Å; L327-M329 PolarHBondContact O-N 3.18Å; L327-A330 WeakPolarHBondContact O-CB 3.42Å; L327-A330 PolarHBondContact O-N 3.24Å; L327-A330 VanDerWaalsContact O-N 3.15Å; L327-V331 PolarHBondContact O-N 2.94Å; L327-V331 VanDerWaalsContact O-N 3.11Å
328A98.5Very high98.3Very high0 Ų042.1 Ų42.10%023%0.228CC..Hα-helixtrans-59.7-41.2171.600000111.7A321 N324 A330 V331 I332 H370A321-A328 HydrophobicContact CB-CB 3.97Å; N324-A328 PolarHBondContact O-N 3.43Å; A328-A330 VanDerWaalsContact C-N 3.35Å; A328-A330 PolarHBondContact O-N 3.26Å; A328-V331 WeakPolarHBondContact O-CB 3.39Å; A328-V331 PolarHBondContact O-N 3.14Å; A328-I332 PolarHBondContact O-N 3.29Å; A328-I332 VanDerWaalsContact O-N 3.1Å; A328-H370 WeakPolarHBondContact CB-NE2 3.49Å
329M98.4Very high98.3Very high51 Ų5143.4 Ų43.425%0.25123%0.234SC..Hα-helixtrans-64.6-37.8174.1-171.257.363.100112.1E325 S326 L327 V331 I332 L333 E369 H370E325-M329 WeakPolarHBondContact O-CB 3.48Å; E325-M329 PolarHBondContact O-N 2.77Å; S326-M329 PolarHBondContact O-N 2.69Å; L327-M329 VanDerWaalsContact C-N 3.29Å; L327-M329 PolarHBondContact O-N 3.18Å; M329-V331 VanDerWaalsContact C-N 3.31Å; M329-V331 PolarHBondContact O-N 3.01Å; M329-I332 HydrophobicContact CE-CD1 4.41Å; M329-I332 WeakPolarHBondContact O-CB 3.39Å; M329-I332 PolarHBondContact O-N 2.85Å; M329-I332 VanDerWaalsContact O-N 3.14Å; M329-I332 HydrophobicContact SD-CB 4.21Å; M329-I332 HydrophobicContact SD-CD1 4.36Å; M329-I332 HydrophobicContact SD-CG2 4.07Å; M329-L333 HydrophobicContact CG-CD1 4.16Å; M329-L333 HydrophobicContact CG-CG 4.29Å; M329-L333 WeakPolarHBondContact O-CG 2.99Å; M329-L333 PolarHBondContact O-N 3.36Å; M329-L333 HydrophobicContact SD-CG 4.41Å; M329-E369 HydrophobicContact CE-CB 4.47Å; M329-E369 HydrophobicContact CE-CG 4.16Å; M329-H370 PolarHBondContact N-NE2 2.91Å
330A98.6Very high98.3Very high18 Ų1841 Ų4115%0.14923%0.225CC..Hα-helixtrans-60-40.5174.600000112.2V290 L295 S326 L327 A328 L333 C334V290-A330 HydrophobicContact CG1-CB 3.9Å; V290-A330 HydrophobicContact CG2-CB 4.33Å; L295-A330 HydrophobicContact CD1-CB 3.96Å; S326-A330 PolarHBondContact O-N 3.11Å; L327-A330 WeakPolarHBondContact O-CB 3.42Å; L327-A330 PolarHBondContact O-N 3.24Å; L327-A330 VanDerWaalsContact O-N 3.15Å; A328-A330 VanDerWaalsContact C-N 3.35Å; A328-A330 PolarHBondContact O-N 3.26Å; A330-L333 PolarHBondContact O-N 3.43Å; A330-C334 PolarHBondContact O-N 3.04Å; A330-C334 VanDerWaalsContact O-N 3.09Å; A330-C334 PolarHBondContact O-SG 2.83Å
331V98.6Very high98.3Very high0 Ų041.9 Ų41.90%023%0.231CC..Hα-helixtrans-62.5-42.2173.7177.80000111.3L295 L317 V320 A321 L327 A328 M329 C334 G336 I363L295-V331 HydrophobicContact CD1-CG2 4.07Å; L295-V331 HydrophobicContact CD2-CG2 4.02Å; L317-V331 HydrophobicContact CB-CG1 4.29Å; L317-V331 HydrophobicContact CD2-CG1 4.34Å; V320-V331 HydrophobicContact CB-CG2 4.21Å; V320-V331 HydrophobicContact CG1-CG2 3.87Å; A321-V331 HydrophobicContact CB-CG2 4.42Å; L327-V331 PolarHBondContact O-N 2.94Å; L327-V331 VanDerWaalsContact O-N 3.11Å; A328-V331 WeakPolarHBondContact O-CB 3.39Å; A328-V331 PolarHBondContact O-N 3.14Å; M329-V331 VanDerWaalsContact C-N 3.31Å; M329-V331 PolarHBondContact O-N 3.01Å; V331-C334 PolarHBondContact O-N 3.27Å; V331-G336 WeakPolarHBondContact O-CA 3.29Å; V331-G336 PolarHBondContact O-N 2.81Å; V331-I363 HydrophobicContact CG1-CD1 3.67Å; V331-I363 HydrophobicContact CG1-CG1 4.18Å
332I98.5Very high98.3Very high21 Ų2145.8 Ų45.811%0.10825%0.252CS..Hα-helixtrans-60.2-51.4175.3-74.2171.4000111.3A328 M329 C334 K335 V337 I363 H370 V373A328-I332 PolarHBondContact O-N 3.29Å; A328-I332 VanDerWaalsContact O-N 3.1Å; M329-I332 HydrophobicContact CE-CD1 4.41Å; M329-I332 WeakPolarHBondContact O-CB 3.39Å; M329-I332 PolarHBondContact O-N 2.85Å; M329-I332 VanDerWaalsContact O-N 3.14Å; M329-I332 HydrophobicContact SD-CB 4.21Å; M329-I332 HydrophobicContact SD-CD1 4.36Å; M329-I332 HydrophobicContact SD-CG2 4.07Å; I332-C334 PolarHBondContact O-N 3.43Å; I332-K335 WeakPolarHBondContact O-CA 3.39Å; I332-K335 PolarHBondContact O-N 3.33Å; I332-V337 HydrophobicContact CG1-CG2 3.97Å; I332-I363 HydrophobicContact CD1-CG2 3.78Å; I332-I363 HydrophobicContact CG1-CG2 3.63Å; I332-H370 HydrophobicContact CD1-CB 4.32Å; I332-H370 VanDerWaalsContact CD1-CD2 3.41Å; I332-H370 WeakPolarHBondContact CD1-CD2 3.35Å; I332-V373 HydrophobicContact CD1-CB 4.2Å; I332-V373 HydrophobicContact CD1-CG1 4.36Å; I332-V373 HydrophobicContact CD1-CG2 4.32Å; I332-V373 HydrophobicContact CG1-CG1 4.2Å; I332-V373 HydrophobicContact CG2-CB 4.43Å; I332-V373 HydrophobicContact CG2-CG1 3.94Å; I332-V373 HydrophobicContact CG2-CG2 4Å
333L98.1Very high98.3Very high134 Ų13444.1 Ų44.170%0.70224%0.238SC*.Hα-helixtrans-62.3-31.1-177.2-69173.8000112.2M329 A330 K335M329-L333 HydrophobicContact CG-CD1 4.16Å; M329-L333 HydrophobicContact CG-CG 4.29Å; M329-L333 WeakPolarHBondContact O-CG 2.99Å; M329-L333 PolarHBondContact O-N 3.36Å; M329-L333 HydrophobicContact SD-CG 4.41Å; A330-L333 PolarHBondContact O-N 3.43Å; L333-K335 PolarHBondContact O-N 3.11Å
334C97.9Very high98.3Very high39 Ų3941.3 Ų41.326%0.26423%0.225SC..THydrogen-bonded Turntrans-77.85.6174.1-65.30000114.2L295 I299 A330 V331 I332L295-C334 HydrophobicContact CB-CB 4.08Å; I299-C334 HydrophobicContact CD1-CB 3.69Å; I299-C334 WeakPolarHBondContact CD1-O 3.29Å; A330-C334 PolarHBondContact O-N 3.04Å; A330-C334 VanDerWaalsContact O-N 3.09Å; A330-C334 PolarHBondContact O-SG 2.83Å; V331-C334 PolarHBondContact O-N 3.27Å; I332-C334 PolarHBondContact O-N 3.43Å
335K98.3Very high98.2Very high154 Ų15442.7 Ų42.767%0.6724%0.239SC*.THydrogen-bonded Turntrans66.232.4-175.3-50.3179.3-179.5177.70114.1I332 L333 P338 Q339I332-K335 WeakPolarHBondContact O-CA 3.39Å; I332-K335 PolarHBondContact O-N 3.33Å; L333-K335 PolarHBondContact O-N 3.11Å; K335-P338 WeakPolarHBondContact O-CD 3.36Å; K335-Q339 PolarHBondContact O-N 2.71Å
336G98.4Very high98.1Very high0 Ų041.5 Ų41.50%023%0.234CC..Hα-helixtrans-65.1-39.1176.900000113.5V331 Q339 L340V331-G336 WeakPolarHBondContact O-CA 3.29Å; V331-G336 PolarHBondContact O-N 2.81Å; G336-Q339 PolarHBondContact O-N 2.98Å; G336-L340 VanDerWaalsContact O-CG 3.31Å; G336-L340 WeakPolarHBondContact O-CG 3.42Å; G336-L340 PolarHBondContact O-N 3.32Å
337V98.5Very high98.1Very high1 Ų137.6 Ų37.61%0.00621%0.206CC..Hα-helixtrans-64-50-178.5175.20000112.6I332 Q339 L340 A341 I363 V373 V374 A377 L379I332-V337 HydrophobicContact CG1-CG2 3.97Å; V337-Q339 VanDerWaalsContact C-N 3.29Å; V337-Q339 PolarHBondContact O-N 3.49Å; V337-L340 PolarHBondContact O-N 3.12Å; V337-A341 PolarHBondContact O-N 2.97Å; V337-I363 HydrophobicContact CG2-CD1 4.13Å; V337-I363 HydrophobicContact CG2-CG2 3.76Å; V337-V373 HydrophobicContact CB-CG1 4.15Å; V337-V373 HydrophobicContact CG1-CG1 4.25Å; V337-V373 HydrophobicContact CG2-CG1 4.11Å; V337-V374 HydrophobicContact CG1-CG2 4.33Å; V337-V374 HydrophobicContact CG2-CG2 4.38Å; V337-A377 HydrophobicContact CG1-CB 3.77Å; V337-L379 HydrophobicContact CG1-CD1 3.76Å
338P98.4Very high97.9Very high70 Ų7045.4 Ų45.446%0.45524%0.242SC..Hα-helixtrans-55.7-42.4172.9-27.534.5000113.2K335 A341 L342K335-P338 WeakPolarHBondContact O-CD 3.36Å; P338-A341 WeakPolarHBondContact O-CB 3.4Å; P338-A341 PolarHBondContact O-N 3.16Å; P338-L342 PolarHBondContact O-N 3.47Å; P338-L342 VanDerWaalsContact O-N 3.08Å
339Q98.6Very high97.8Very high27 Ų2749.1 Ų49.113%0.12626%0.259CS..Hα-helixtrans-65.4-41.2179.1-172.957.937.800112I299 L302 K335 G336 V337 A341 L342 C343I299-Q339 HydrophobicContact CG2-CB 3.98Å; I299-Q339 HydrophobicContact CG2-CG 4.07Å; L302-Q339 HydrophobicContact CB-CG 3.85Å; L302-Q339 HydrophobicContact CD1-CG 4.37Å; K335-Q339 PolarHBondContact O-N 2.71Å; G336-Q339 PolarHBondContact O-N 2.98Å; V337-Q339 VanDerWaalsContact C-N 3.29Å; V337-Q339 PolarHBondContact O-N 3.49Å; Q339-A341 VanDerWaalsContact C-N 3.29Å; Q339-A341 PolarHBondContact O-N 2.81Å; Q339-L342 WeakPolarHBondContact O-CB 3.28Å; Q339-L342 PolarHBondContact O-N 2.88Å; Q339-C343 PolarHBondContact O-N 3.2Å; Q339-C343 PolarHBondContact O-SG 2.75Å
340L98.6Very high97.7Very high0 Ų049.9 Ų49.90%026%0.262CS..Hα-helixtrans-64.6-33.3174.6-70.4170.7000112.1I314 L317 G336 V337 C343 L344 T356 I360 I363I314-L340 HydrophobicContact CB-CD2 4.33Å; I314-L340 HydrophobicContact CG1-CD2 4.06Å; I314-L340 HydrophobicContact CG2-CD2 3.96Å; L317-L340 HydrophobicContact CD1-CD2 4.37Å; L317-L340 HydrophobicContact CD1-CG 4.38Å; G336-L340 VanDerWaalsContact O-CG 3.31Å; G336-L340 WeakPolarHBondContact O-CG 3.42Å; G336-L340 PolarHBondContact O-N 3.32Å; V337-L340 PolarHBondContact O-N 3.12Å; L340-C343 PolarHBondContact O-N 3.35Å; L340-L344 WeakPolarHBondContact O-CB 3.39Å; L340-L344 PolarHBondContact O-N 3.3Å; L340-T356 HydrophobicContact CB-CG2 4.16Å; L340-T356 HydrophobicContact CD2-CG2 4.11Å; L340-T356 VanDerWaalsContact O-CG2 3.23Å; L340-T356 WeakPolarHBondContact O-CG2 3.48Å; L340-I360 HydrophobicContact CB-CD1 4.31Å; L340-I360 HydrophobicContact CB-CG1 4.04Å; L340-I360 HydrophobicContact CD1-CG1 4.22Å; L340-I363 HydrophobicContact CD1-CD1 3.52Å
341A98.4Very high97.6Very high17 Ų1753 Ų5314%0.1427%0.273CS..Hα-helixtrans-65.1-39.4173.800000112.4V337 P338 Q339 L344 S345 L379V337-A341 PolarHBondContact O-N 2.97Å; P338-A341 WeakPolarHBondContact O-CB 3.4Å; P338-A341 PolarHBondContact O-N 3.16Å; Q339-A341 VanDerWaalsContact C-N 3.29Å; Q339-A341 PolarHBondContact O-N 2.81Å; A341-L344 PolarHBondContact O-N 3.13Å; A341-S345 PolarHBondContact O-N 2.87Å; A341-S345 PolarHBondContact O-OG 3.25Å; A341-L379 HydrophobicContact CB-CD1 4.35Å; A341-L379 HydrophobicContact CB-CD2 3.7Å; A341-L379 HydrophobicContact CB-CG 4.18Å
342L98.1Very high97.6Very high82 Ų8253 Ų5343%0.42927%0.273SS..Hα-helixtrans-62.8-48.8171.5-66.6174.3000110.8P338 Q339 L344 S345 E346P338-L342 PolarHBondContact O-N 3.47Å; P338-L342 VanDerWaalsContact O-N 3.08Å; Q339-L342 WeakPolarHBondContact O-CB 3.28Å; Q339-L342 PolarHBondContact O-N 2.88Å; L342-L344 VanDerWaalsContact C-N 3.3Å; L342-L344 PolarHBondContact O-N 3.29Å; L342-S345 PolarHBondContact O-N 3.07Å; L342-E346 WeakPolarHBondContact O-CB 3.49Å; L342-E346 WeakPolarHBondContact O-CG 3.49Å; L342-E346 PolarHBondContact O-N 3.24Å
343C97.9Very high97.6Very high0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-55.1-44.5175.6-62.70000111.9I314 Q339 L340 S345 E347 T356I314-C343 HydrophobicContact CD1-CB 4.21Å; Q339-C343 PolarHBondContact O-N 3.2Å; Q339-C343 PolarHBondContact O-SG 2.75Å; L340-C343 PolarHBondContact O-N 3.35Å; C343-S345 PolarHBondContact O-N 3.35Å; C343-E347 WeakPolarHBondContact O-CB 3.47Å; C343-E347 WeakPolarHBondContact O-CG 3.33Å; C343-E347 PolarHBondContact O-N 3.35Å; C343-E347 VanDerWaalsContact O-N 3.08Å; C343-T356 HydrophobicContact CB-CG2 4.2Å
344L97.8Very high97.6Very high1 Ų147.7 Ų47.71%0.00524%0.244CC..Hα-helixtrans-63.9-30.4-179.7-170.461.3000112.9L340 A341 L342 K353 T356 V357 I360 L379 K382 L386L340-L344 WeakPolarHBondContact O-CB 3.39Å; L340-L344 PolarHBondContact O-N 3.3Å; A341-L344 PolarHBondContact O-N 3.13Å; L342-L344 VanDerWaalsContact C-N 3.3Å; L342-L344 PolarHBondContact O-N 3.29Å; L344-K353 HydrophobicContact CD1-CB 3.97Å; L344-K353 HydrophobicContact CD1-CG 4.18Å; L344-T356 HydrophobicContact CB-CG2 3.9Å; L344-T356 HydrophobicContact CD1-CG2 4.3Å; L344-V357 HydrophobicContact CD1-CG2 3.75Å; L344-V357 HydrophobicContact CD2-CG2 4.41Å; L344-I360 HydrophobicContact CD2-CD1 4.16Å; L344-L379 HydrophobicContact CD2-CD2 4.01Å; L344-K382 HydrophobicContact CD2-CG 3.95Å; L344-K382 HydrophobicContact CG-CG 4.47Å; L344-L386 HydrophobicContact CD1-CD1 3.71Å; L344-L386 HydrophobicContact CD2-CD1 4.06Å; L344-L386 HydrophobicContact CG-CD1 4.09Å
345S96.3Very high97.6Very high84 Ų8446.3 Ų46.359%0.58724%0.235SC*.Hα-helixtrans-87.1-40.2-176.4-55.50000112.6A341 L342 C343A341-S345 PolarHBondContact O-N 2.87Å; A341-S345 PolarHBondContact O-OG 3.25Å; L342-S345 PolarHBondContact O-N 3.07Å; C343-S345 PolarHBondContact O-N 3.35Å
346E96.6Very high97.6Very high81 Ų8139 Ų3938%0.37920%0.203SC..Hα-helixtrans-82.9-32.4-175.9-67.9174.4-179.500113.2H306 R310 L342H306-E346 IonicContact CE1-OE2 2.74Å; H306-E346 IonicContact ND1-OE2 2.84Å; R310-E346 IonicContact CZ-OE2 2.8Å; R310-E346 VanDerWaalsContact CZ-OE2 3.26Å; R310-E346 IonicContact NH1-OE2 3.37Å; R310-E346 PolarHBondContact NH1-OE2 2.89Å; R310-E346 IonicContact NH2-OE2 2.61Å; R310-E346 PolarHBondContact NH2-OE2 3.33Å; L342-E346 WeakPolarHBondContact O-CB 3.49Å; L342-E346 WeakPolarHBondContact O-CG 3.49Å; L342-E346 PolarHBondContact O-N 3.24Å
347E96.3Very high97.7Very high9 Ų939 Ų394%0.04220%0.203CC..  trans-74.8139.5-174.7-66.4-61.3149.300112G307 R310 C343 I352 K353G307-E347 WeakPolarHBondContact CA-OE2 3.5Å; G307-E347 VanDerWaalsContact N-CD 3.33Å; G307-E347 PolarHBondContact N-OE1 3.44Å; G307-E347 PolarHBondContact N-OE2 3.34Å; R310-E347 WeakPolarHBondContact CD-OE1 3.49Å; R310-E347 IonicContact CZ-OE1 3.74Å; R310-E347 IonicContact NE-OE1 3.14Å; R310-E347 IonicContact NH1-OE1 3.72Å; R310-E347 PolarHBondContact NH1-OE1 2.7Å; C343-E347 WeakPolarHBondContact O-CB 3.47Å; C343-E347 WeakPolarHBondContact O-CG 3.33Å; C343-E347 PolarHBondContact O-N 3.35Å; C343-E347 VanDerWaalsContact O-N 3.08Å; E347-I352 HydrophobicContact CB-CB 4.46Å; E347-I352 HydrophobicContact CB-CG2 4.16Å; E347-I352 HydrophobicContact CG-CG2 3.83Å; E347-K353 WeakPolarHBondContact O-CE 3.32Å
348H94.3Very high97.7Very high165 Ų16541.7 Ų41.776%0.76421%0.213SC*.  trans-97.9-32.8178.7-59.4-53.5000112.5Q350H348-Q350 PolarHBondContact O-N 2.77Å
349E96.3Very high97.7Very high77 Ų7738.4 Ų38.436%0.3619%0.192SC..  trans-71.5123.3-175.8-67-179.2-161.900111.2Q308 H351 I352 K353Q308-E349 VanDerWaalsContact CD-OE2 3.3Å; Q308-E349 PolarHBondContact NE2-OE2 2.65Å; E349-H351 PolarHBondContact O-N 3.17Å; E349-H351 IonicContact OE2-CE1 3.88Å; E349-H351 PolarHBondContact OE2-CE1 3.4Å; E349-H351 IonicContact OE2-NE2 2.91Å; E349-H351 PolarHBondContact OE2-NE2 3.41Å; E349-H351 VanDerWaalsContact OE2-NE2 3.14Å; E349-I352 HydrophobicContact CB-CB 4.46Å; E349-I352 HydrophobicContact CB-CD1 3.84Å; E349-I352 HydrophobicContact CB-CG1 3.88Å; E349-I352 HydrophobicContact CG-CD1 4.4Å; E349-I352 WeakPolarHBondContact O-CB 3.2Å; E349-I352 PolarHBondContact O-N 3.19Å; E349-I352 VanDerWaalsContact O-N 3.08Å; E349-K353 PolarHBondContact O-N 3.42Å
350Q96.7Very high97.7Very high68 Ų6837.1 Ų37.132%0.31819%0.186SC..Hα-helixtrans-62-37.9-172.1-64.8-14231.300113.8H348 I352 K353 S354 S391 S393H348-Q350 PolarHBondContact O-N 2.77Å; Q350-I352 VanDerWaalsContact C-N 3.26Å; Q350-I352 PolarHBondContact O-N 2.72Å; Q350-K353 WeakPolarHBondContact O-CB 3.16Å; Q350-K353 PolarHBondContact O-N 2.96Å; Q350-S354 PolarHBondContact O-N 3.22Å; Q350-S354 PolarHBondContact O-OG 3.44Å; Q350-S391 PolarHBondContact NE2-O 3.1Å; Q350-S393 VanDerWaalsContact OE1-CB 3.3Å; Q350-S393 PolarHBondContact OE1-OG 2.85Å
351H97.2Very high97.7Very high83 Ų8337.4 Ų37.438%0.38419%0.187SC..Hα-helixtrans-68-26.8177.963-84000112.6Q308 E349 S354 A355Q308-H351 PolarHBondContact NE2-CE1 3.3Å; Q308-H351 PolarHBondContact NE2-NE2 2.97Å; Q308-H351 PolarHBondContact OE1-NE2 3.5Å; E349-H351 PolarHBondContact O-N 3.17Å; E349-H351 IonicContact OE2-CE1 3.88Å; E349-H351 PolarHBondContact OE2-CE1 3.4Å; E349-H351 IonicContact OE2-NE2 2.91Å; E349-H351 PolarHBondContact OE2-NE2 3.41Å; E349-H351 VanDerWaalsContact OE2-NE2 3.14Å; H351-S354 WeakPolarHBondContact O-CB 3.46Å; H351-S354 PolarHBondContact O-N 2.92Å; H351-A355 PolarHBondContact O-N 3.46Å
352I98.1Very high97.7Very high0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-72.4-42.9174.3-53.5-176.3000109.7G307 I314 E347 E349 Q350 S354 A355 T356G307-I352 WeakPolarHBondContact O-CD1 3.42Å; I314-I352 HydrophobicContact CD1-CG2 3.78Å; E347-I352 HydrophobicContact CB-CB 4.46Å; E347-I352 HydrophobicContact CB-CG2 4.16Å; E347-I352 HydrophobicContact CG-CG2 3.83Å; E349-I352 HydrophobicContact CB-CB 4.46Å; E349-I352 HydrophobicContact CB-CD1 3.84Å; E349-I352 HydrophobicContact CB-CG1 3.88Å; E349-I352 HydrophobicContact CG-CD1 4.4Å; E349-I352 WeakPolarHBondContact O-CB 3.2Å; E349-I352 PolarHBondContact O-N 3.19Å; E349-I352 VanDerWaalsContact O-N 3.08Å; Q350-I352 VanDerWaalsContact C-N 3.26Å; Q350-I352 PolarHBondContact O-N 2.72Å; I352-S354 VanDerWaalsContact C-N 3.31Å; I352-S354 PolarHBondContact O-N 2.7Å; I352-A355 PolarHBondContact O-N 3.11Å; I352-T356 WeakPolarHBondContact O-CB 3.42Å; I352-T356 PolarHBondContact O-N 2.93Å; I352-T356 PolarHBondContact O-OG1 3.33Å
353K98.3Very high97.7Very high43 Ų4333.8 Ų33.819%0.18717%0.165CC..Hα-helixtrans-57.7-46170.6-66.4-171.7179.9-179.60110.9L344 E347 E349 Q350 A355 T356 V357 L386 L396L344-K353 HydrophobicContact CD1-CB 3.97Å; L344-K353 HydrophobicContact CD1-CG 4.18Å; E347-K353 WeakPolarHBondContact O-CE 3.32Å; E349-K353 PolarHBondContact O-N 3.42Å; Q350-K353 WeakPolarHBondContact O-CB 3.16Å; Q350-K353 PolarHBondContact O-N 2.96Å; K353-A355 VanDerWaalsContact C-N 3.35Å; K353-A355 PolarHBondContact O-N 3.14Å; K353-T356 WeakPolarHBondContact O-CB 3.15Å; K353-T356 PolarHBondContact O-N 3.09Å; K353-T356 VanDerWaalsContact O-N 3.08Å; K353-V357 WeakPolarHBondContact O-CG2 3.48Å; K353-V357 PolarHBondContact O-N 3.49Å; K353-L386 HydrophobicContact CD-CD2 4.35Å; K353-L396 HydrophobicContact CB-CD1 3.84Å; K353-L396 HydrophobicContact CB-CD2 4.01Å; K353-L396 HydrophobicContact CD-CD2 4.21Å
354S98.4Very high97.7Very high1 Ų133.8 Ų33.81%0.00717%0.165CC..Hα-helixtrans-57.1-46.1177.2-73.60000112.5Q350 H351 I352 T356 V357 W358 D395 L396 K399Q350-S354 PolarHBondContact O-N 3.22Å; Q350-S354 PolarHBondContact O-OG 3.44Å; H351-S354 WeakPolarHBondContact O-CB 3.46Å; H351-S354 PolarHBondContact O-N 2.92Å; I352-S354 VanDerWaalsContact C-N 3.31Å; I352-S354 PolarHBondContact O-N 2.7Å; S354-T356 VanDerWaalsContact C-N 3.32Å; S354-V357 PolarHBondContact O-N 3.19Å; S354-W358 WeakPolarHBondContact O-CB 3.12Å; S354-W358 PolarHBondContact O-N 3.18Å; S354-D395 WeakPolarHBondContact CB-OD2 3.41Å; S354-D395 PolarHBondContact OG-OD2 3.11Å; S354-L396 VanDerWaalsContact OG-CA 3.27Å; S354-L396 WeakPolarHBondContact OG-CA 3.26Å; S354-L396 WeakPolarHBondContact OG-CB 3.37Å; S354-L396 PolarHBondContact OG-N 3.21Å; S354-K399 WeakPolarHBondContact O-CD 3.35Å
355A98.6Very high97.6Very high9 Ų936.1 Ų36.17%0.07418%0.176CC..Hα-helixtrans-64-39176.200000111.8L311 I314 M315 H351 I352 K353 W358 S359L311-A355 HydrophobicContact CD1-CB 3.4Å; L311-A355 VanDerWaalsContact CD1-CB 3.4Å; I314-A355 HydrophobicContact CG2-CB 4.26Å; M315-A355 HydrophobicContact CG-CB 4.24Å; H351-A355 PolarHBondContact O-N 3.46Å; I352-A355 PolarHBondContact O-N 3.11Å; K353-A355 VanDerWaalsContact C-N 3.35Å; K353-A355 PolarHBondContact O-N 3.14Å; A355-W358 PolarHBondContact O-N 3.48Å; A355-S359 PolarHBondContact O-N 2.96Å; A355-S359 PolarHBondContact O-OG 2.96Å
356T98.8Very high97.7Very high0 Ų033.3 Ų33.30%015%0.154CC..Hα-helixtrans-64.1-46.8177.4-53.40000111.6I314 L340 C343 L344 I352 K353 S354 W358 S359 I360I314-T356 WeakPolarHBondContact CD1-OG1 3.36Å; L340-T356 HydrophobicContact CB-CG2 4.16Å; L340-T356 HydrophobicContact CD2-CG2 4.11Å; L340-T356 VanDerWaalsContact O-CG2 3.23Å; L340-T356 WeakPolarHBondContact O-CG2 3.48Å; C343-T356 HydrophobicContact CB-CG2 4.2Å; L344-T356 HydrophobicContact CB-CG2 3.9Å; L344-T356 HydrophobicContact CD1-CG2 4.3Å; I352-T356 WeakPolarHBondContact O-CB 3.42Å; I352-T356 PolarHBondContact O-N 2.93Å; I352-T356 PolarHBondContact O-OG1 3.33Å; K353-T356 WeakPolarHBondContact O-CB 3.15Å; K353-T356 PolarHBondContact O-N 3.09Å; K353-T356 VanDerWaalsContact O-N 3.08Å; S354-T356 VanDerWaalsContact C-N 3.32Å; T356-W358 VanDerWaalsContact C-N 3.32Å; T356-W358 PolarHBondContact O-N 3.38Å; T356-S359 PolarHBondContact O-N 3.18Å; T356-I360 HydrophobicContact CG2-CD1 4Å; T356-I360 VanDerWaalsContact O-CG1 3.31Å; T356-I360 WeakPolarHBondContact O-CG1 3.26Å; T356-I360 PolarHBondContact O-N 2.85Å
357V98.8Very high97.7Very high0 Ų030.6 Ų30.60%014%0.143CC..Hα-helixtrans-59.9-43.1175.2169.10000111.1L344 K353 S354 I360 D361 L383 L386 L396 K399 A403L344-V357 HydrophobicContact CD1-CG2 3.75Å; L344-V357 HydrophobicContact CD2-CG2 4.41Å; K353-V357 WeakPolarHBondContact O-CG2 3.48Å; K353-V357 PolarHBondContact O-N 3.49Å; S354-V357 PolarHBondContact O-N 3.19Å; V357-I360 PolarHBondContact O-N 2.69Å; V357-D361 PolarHBondContact O-N 3.41Å; V357-L383 HydrophobicContact CB-CD2 4.14Å; V357-L383 HydrophobicContact CG1-CD2 3.65Å; V357-L383 HydrophobicContact CG2-CD2 3.61Å; V357-L386 HydrophobicContact CG2-CD1 4.16Å; V357-L396 HydrophobicContact CG2-CD1 4.04Å; V357-K399 HydrophobicContact CG1-CB 4Å; V357-A403 HydrophobicContact CG1-CB 3.87Å
358W98.7Very high97.7Very high59 Ų5933.2 Ų33.222%0.22316%0.16CC..Hα-helixtrans-61-45.6175.1176.280.8000111.7Y319 S354 A355 T356 I360 D361 Q362 K399Y319-W358 AromaticContact CD1-CH2 3.68Å; Y319-W358 HydrophobicContact CD1-CH2 3.68Å; Y319-W358 HydrophobicContact CD1-CZ2 4.42Å; Y319-W358 HydrophobicContact CD2-CH2 4.43Å; Y319-W358 AromaticContact CE1-CH2 3.75Å; Y319-W358 HydrophobicContact CE1-CH2 3.75Å; Y319-W358 HydrophobicContact CE1-CZ2 4.25Å; Y319-W358 HydrophobicContact CG-CH2 4.02Å; S354-W358 WeakPolarHBondContact O-CB 3.12Å; S354-W358 PolarHBondContact O-N 3.18Å; A355-W358 PolarHBondContact O-N 3.48Å; T356-W358 VanDerWaalsContact C-N 3.32Å; T356-W358 PolarHBondContact O-N 3.38Å; W358-I360 VanDerWaalsContact C-N 3.33Å; W358-I360 PolarHBondContact O-N 3.34Å; W358-D361 WeakPolarHBondContact O-CB 3.37Å; W358-D361 PolarHBondContact O-N 2.94Å; W358-Q362 HydrophobicContact CD2-CG 4.05Å; W358-Q362 HydrophobicContact CE3-CG 4.36Å; W358-Q362 HydrophobicContact CH2-CG 3.99Å; W358-Q362 HydrophobicContact CZ2-CG 3.63Å; W358-Q362 HydrophobicContact CZ3-CG 4.34Å; W358-Q362 WeakPolarHBondContact O-CG 3.38Å; W358-Q362 PolarHBondContact O-N 3.27Å; W358-K399 HydrophobicContact CB-CD 4.39Å
359S98.8Very high97.8Very high0 Ų029.7 Ų29.70%014%0.144CC..Hα-helixtrans-63.5-37.4176.9-620000112.5I314 G318 A355 T356 Q362 I363I314-S359 PolarHBondContact O-OG 3.45Å; G318-S359 WeakPolarHBondContact CA-OG 3.28Å; A355-S359 PolarHBondContact O-N 2.96Å; A355-S359 PolarHBondContact O-OG 2.96Å; T356-S359 PolarHBondContact O-N 3.18Å; S359-Q362 PolarHBondContact O-N 3.13Å; S359-I363 WeakPolarHBondContact O-CG1 3.16Å; S359-I363 PolarHBondContact O-N 3.18Å; S359-I363 VanDerWaalsContact O-N 3.13Å
360I98.8Very high97.9Very high1 Ų126.2 Ų26.21%0.00513%0.128CC..Hα-helixtrans-63.9-43.1174.5-69.5162.4000111.2L340 L344 T356 V357 W358 I363 G364 V374 L379 I407L340-I360 HydrophobicContact CB-CD1 4.31Å; L340-I360 HydrophobicContact CB-CG1 4.04Å; L340-I360 HydrophobicContact CD1-CG1 4.22Å; L344-I360 HydrophobicContact CD2-CD1 4.16Å; T356-I360 HydrophobicContact CG2-CD1 4Å; T356-I360 VanDerWaalsContact O-CG1 3.31Å; T356-I360 WeakPolarHBondContact O-CG1 3.26Å; T356-I360 PolarHBondContact O-N 2.85Å; V357-I360 PolarHBondContact O-N 2.69Å; W358-I360 VanDerWaalsContact C-N 3.33Å; W358-I360 PolarHBondContact O-N 3.34Å; I360-I363 PolarHBondContact O-N 2.86Å; I360-G364 PolarHBondContact O-N 3.5Å; I360-V374 HydrophobicContact CG2-CG1 3.64Å; I360-V374 HydrophobicContact CG2-CG2 4.34Å; I360-L379 HydrophobicContact CD1-CD1 3.93Å; I360-L379 HydrophobicContact CD1-CD2 3.86Å; I360-L379 HydrophobicContact CD1-CG 4.47Å; I360-L379 HydrophobicContact CG1-CD1 4.14Å; I360-L379 HydrophobicContact CG2-CD1 3.96Å; I360-I407 HydrophobicContact CG2-CD1 4.13Å
361D98.6Very high98Very high5 Ų523 Ų233%0.02711%0.113CC..Hα-helixtrans-56.4-50.1172.6178.546.3000110.4V357 W358 I363 G364 H365 A403 N406V357-D361 PolarHBondContact O-N 3.41Å; W358-D361 WeakPolarHBondContact O-CB 3.37Å; W358-D361 PolarHBondContact O-N 2.94Å; D361-I363 PolarHBondContact O-N 2.69Å; D361-I363 VanDerWaalsContact O-N 3.15Å; D361-G364 PolarHBondContact O-N 3.43Å; D361-G364 VanDerWaalsContact O-N 3.14Å; D361-H365 WeakPolarHBondContact O-CB 3.49Å; D361-H365 PolarHBondContact O-N 3.28Å; D361-H365 VanDerWaalsContact O-N 3.1Å; D361-H365 PolarHBondContact O-ND1 3.48Å; D361-A403 HydrophobicContact CB-CB 3.75Å; D361-N406 WeakPolarHBondContact OD1-CB 3.38Å; D361-N406 PolarHBondContact OD1-ND2 3.44Å; D361-N406 PolarHBondContact OD2-ND2 3.22Å
362Q98.6Very high97.9Very high24 Ų2422.9 Ų22.911%0.11211%0.111CC..Hα-helixtrans-58.3-30.3-180-64.9-44.3-62.900113.4G318 A321 A322 W358 S359 H365 H366G318-Q362 WeakPolarHBondContact O-CB 3.47Å; A321-Q362 HydrophobicContact CB-CB 4.2Å; A322-Q362 HydrophobicContact CB-CB 4.28Å; A322-Q362 HydrophobicContact CB-CG 4.01Å; A322-Q362 VanDerWaalsContact CB-OE1 3.25Å; W358-Q362 HydrophobicContact CD2-CG 4.05Å; W358-Q362 HydrophobicContact CE3-CG 4.36Å; W358-Q362 HydrophobicContact CH2-CG 3.99Å; W358-Q362 HydrophobicContact CZ2-CG 3.63Å; W358-Q362 HydrophobicContact CZ3-CG 4.34Å; W358-Q362 WeakPolarHBondContact O-CG 3.38Å; W358-Q362 PolarHBondContact O-N 3.27Å; S359-Q362 PolarHBondContact O-N 3.13Å; Q362-H365 VanDerWaalsContact CA-ND1 3.35Å; Q362-H365 WeakPolarHBondContact CA-ND1 3.47Å; Q362-H365 PolarHBondContact O-CE1 3.44Å; Q362-H365 PolarHBondContact O-ND1 3.06Å; Q362-H366 PolarHBondContact O-CD2 3.18Å; Q362-H366 VanDerWaalsContact O-CD2 3.28Å; Q362-H366 PolarHBondContact O-NE2 3.36Å; Q362-H366 VanDerWaalsContact O-NE2 3.13Å
363I98.5Very high97.9Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-79.8-47.7175.1-63.4161.6000111.2A321 V331 I332 V337 L340 S359 I360 D361 H370 V374A321-I363 HydrophobicContact CB-CB 4.33Å; A321-I363 HydrophobicContact CB-CG1 3.46Å; A321-I363 VanDerWaalsContact CB-CG1 3.46Å; V331-I363 HydrophobicContact CG1-CD1 3.67Å; V331-I363 HydrophobicContact CG1-CG1 4.18Å; I332-I363 HydrophobicContact CD1-CG2 3.78Å; I332-I363 HydrophobicContact CG1-CG2 3.63Å; V337-I363 HydrophobicContact CG2-CD1 4.13Å; V337-I363 HydrophobicContact CG2-CG2 3.76Å; L340-I363 HydrophobicContact CD1-CD1 3.52Å; S359-I363 WeakPolarHBondContact O-CG1 3.16Å; S359-I363 PolarHBondContact O-N 3.18Å; S359-I363 VanDerWaalsContact O-N 3.13Å; I360-I363 PolarHBondContact O-N 2.86Å; D361-I363 PolarHBondContact O-N 2.69Å; D361-I363 VanDerWaalsContact O-N 3.15Å; I363-H370 WeakPolarHBondContact O-CB 3.49Å; I363-H370 PolarHBondContact O-CD2 3.31Å; I363-V374 HydrophobicContact CG2-CG2 4.48Å
364G97.6Very high97.9Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-84.1-13.6-166.200000116.4I360 D361I360-G364 PolarHBondContact O-N 3.5Å; D361-G364 PolarHBondContact O-N 3.43Å; D361-G364 VanDerWaalsContact O-N 3.14Å
365H96.5Very high97.8Very high50 Ų5022.7 Ų22.723%0.23111%0.114CC..THydrogen-bonded Turntrans-84.4-7.1-171.374.7-86.7000115.7D361 Q362 N406 K410D361-H365 WeakPolarHBondContact O-CB 3.49Å; D361-H365 PolarHBondContact O-N 3.28Å; D361-H365 VanDerWaalsContact O-N 3.1Å; D361-H365 PolarHBondContact O-ND1 3.48Å; Q362-H365 VanDerWaalsContact CA-ND1 3.35Å; Q362-H365 WeakPolarHBondContact CA-ND1 3.47Å; Q362-H365 PolarHBondContact O-CE1 3.44Å; Q362-H365 PolarHBondContact O-ND1 3.06Å; H365-N406 HydrophobicContact CB-CB 3.86Å; H365-K410 VanDerWaalsContact O-CE 3.31Å; H365-K410 WeakPolarHBondContact O-CE 3.39Å; H365-K410 WeakPolarHBondContact O-CG 3.45Å
366H97.3Very high97.6Very high24 Ų2425.8 Ų25.811%0.11114%0.136CC..SBendtrans-74-72.1-173.8-71-73.7000112.7A321 E325 Q362 K410A321-H366 PolarHBondContact O-NE2 3.49Å; E325-H366 HydrophobicContact CB-CB 4.33Å; E325-H366 HydrophobicContact CG-CB 3.97Å; Q362-H366 PolarHBondContact O-CD2 3.18Å; Q362-H366 VanDerWaalsContact O-CD2 3.28Å; Q362-H366 PolarHBondContact O-NE2 3.36Å; Q362-H366 VanDerWaalsContact O-NE2 3.13Å; H366-K410 WeakPolarHBondContact O-CE 3.43Å; H366-K410 PolarHBondContact O-NZ 3.38Å
367T97.3Very high97.5Very high25 Ų2527.4 Ų27.415%0.15315%0.149CC..  trans-128169.2-171.577.50000112.3E325 E369 H370 A371E325-T367 HydrophobicContact CB-CG2 4.42Å; E325-T367 HydrophobicContact CG-CG2 4.21Å; E325-T367 WeakPolarHBondContact OE2-CG2 3.38Å; T367-E369 VanDerWaalsContact C-N 3.3Å; T367-E369 PolarHBondContact O-N 3.07Å; T367-E369 PolarHBondContact OG1-N 3.29Å; T367-H370 WeakPolarHBondContact O-CB 3.33Å; T367-H370 PolarHBondContact O-N 2.88Å; T367-H370 PolarHBondContact OG1-N 3.49Å; T367-H370 PolarHBondContact OG1-ND1 2.96Å; T367-A371 PolarHBondContact O-N 2.86Å
368P96.1Very high97.3Very high63 Ų6332.7 Ų32.741%0.40918%0.177SC..Hα-helixtrans-56.6-37.7171.8-27.336.4000114.7A371 K372 K410 T412P368-A371 PolarHBondContact O-N 3.09Å; P368-K372 VanDerWaalsContact O-CB 3.24Å; P368-K372 WeakPolarHBondContact O-CB 3.49Å; P368-K372 PolarHBondContact O-N 3.11Å; P368-K410 VanDerWaalsContact CA-O 3.28Å; P368-K410 WeakPolarHBondContact CA-O 3.42Å; P368-T412 HydrophobicContact CB-CG2 4.25Å
369E96.9Very high97.3Very high92 Ų9230 Ų3043%0.4317%0.167SC..Hα-helixtrans-65.6-45.5177.8-166.659.5-153.400112.3M329 T367 A371 K372 V373M329-E369 HydrophobicContact CE-CB 4.47Å; M329-E369 HydrophobicContact CE-CG 4.16Å; T367-E369 VanDerWaalsContact C-N 3.3Å; T367-E369 PolarHBondContact O-N 3.07Å; T367-E369 PolarHBondContact OG1-N 3.29Å; E369-A371 PolarHBondContact O-N 3.3Å; E369-K372 WeakPolarHBondContact O-CB 3.43Å; E369-K372 PolarHBondContact O-N 2.81Å; E369-K372 IonicContact OE1-NZ 2.9Å; E369-K372 IonicContact OE2-NZ 3.62Å; E369-V373 WeakPolarHBondContact O-CG2 3.48Å; E369-V373 PolarHBondContact O-N 2.9Å
370H98.2Very high97.2Very high4 Ų430 Ų302%0.01917%0.167CC..Hα-helixtrans-54.9-50.4172.1-69.492.7000112.5E325 A328 M329 I332 I363 T367 K372 V373 V374E325-H370 PolarHBondContact O-CE1 3.21Å; E325-H370 VanDerWaalsContact O-CE1 3.29Å; E325-H370 PolarHBondContact O-NE2 3.36Å; A328-H370 WeakPolarHBondContact CB-NE2 3.49Å; M329-H370 PolarHBondContact N-NE2 2.91Å; I332-H370 HydrophobicContact CD1-CB 4.32Å; I332-H370 VanDerWaalsContact CD1-CD2 3.41Å; I332-H370 WeakPolarHBondContact CD1-CD2 3.35Å; I363-H370 WeakPolarHBondContact O-CB 3.49Å; I363-H370 PolarHBondContact O-CD2 3.31Å; T367-H370 WeakPolarHBondContact O-CB 3.33Å; T367-H370 PolarHBondContact O-N 2.88Å; T367-H370 PolarHBondContact OG1-N 3.49Å; T367-H370 PolarHBondContact OG1-ND1 2.96Å; H370-K372 VanDerWaalsContact C-N 3.32Å; H370-K372 PolarHBondContact O-N 3.36Å; H370-V373 PolarHBondContact O-N 3.43Å; H370-V374 PolarHBondContact O-N 3.32Å
371A97.6Very high97.1Very high0 Ų031.7 Ų31.70%018%0.178CC..Hα-helixtrans-62.3-39.3179.200000112.3T367 P368 E369 V373 V374 A375 I407 K410 C411T367-A371 PolarHBondContact O-N 2.86Å; P368-A371 PolarHBondContact O-N 3.09Å; E369-A371 PolarHBondContact O-N 3.3Å; A371-V373 PolarHBondContact O-N 2.61Å; A371-V374 PolarHBondContact O-N 2.93Å; A371-A375 VanDerWaalsContact O-CB 3.26Å; A371-A375 WeakPolarHBondContact O-CB 3.26Å; A371-A375 PolarHBondContact O-N 3.43Å; A371-I407 HydrophobicContact CB-CG2 3.91Å; A371-K410 HydrophobicContact CB-CB 3.77Å; A371-C411 HydrophobicContact CB-CB 4.09Å
372K96.4Very high97Very high80 Ų8034 Ų3435%0.34819%0.187SC..Hα-helixtrans-61.8-40.6176.4174.7-175168.7-156.30112P368 E369 H370 A375 S376 H413P368-K372 VanDerWaalsContact O-CB 3.24Å; P368-K372 WeakPolarHBondContact O-CB 3.49Å; P368-K372 PolarHBondContact O-N 3.11Å; E369-K372 WeakPolarHBondContact O-CB 3.43Å; E369-K372 PolarHBondContact O-N 2.81Å; E369-K372 IonicContact OE1-NZ 2.9Å; E369-K372 IonicContact OE2-NZ 3.62Å; H370-K372 VanDerWaalsContact C-N 3.32Å; H370-K372 PolarHBondContact O-N 3.36Å; K372-A375 PolarHBondContact O-N 3.31Å; K372-S376 VanDerWaalsContact O-CB 3.3Å; K372-S376 WeakPolarHBondContact O-CB 3.32Å; K372-S376 PolarHBondContact O-N 3.46Å; K372-S376 PolarHBondContact O-OG 3.48Å; K372-H413 HydrophobicContact CB-CB 4.39Å; K372-H413 HydrophobicContact CG-CB 4.12Å
373V97.8Very high97Very high35 Ų3532.8 Ų32.821%0.21218%0.182CC..Hα-helixtrans-64-45.6177.2173.20000111I332 V337 E369 H370 A371 A375 S376 A377I332-V373 HydrophobicContact CD1-CB 4.2Å; I332-V373 HydrophobicContact CD1-CG1 4.36Å; I332-V373 HydrophobicContact CD1-CG2 4.32Å; I332-V373 HydrophobicContact CG1-CG1 4.2Å; I332-V373 HydrophobicContact CG2-CB 4.43Å; I332-V373 HydrophobicContact CG2-CG1 3.94Å; I332-V373 HydrophobicContact CG2-CG2 4Å; V337-V373 HydrophobicContact CB-CG1 4.15Å; V337-V373 HydrophobicContact CG1-CG1 4.25Å; V337-V373 HydrophobicContact CG2-CG1 4.11Å; E369-V373 WeakPolarHBondContact O-CG2 3.48Å; E369-V373 PolarHBondContact O-N 2.9Å; H370-V373 PolarHBondContact O-N 3.43Å; A371-V373 PolarHBondContact O-N 2.61Å; V373-A375 VanDerWaalsContact C-N 3.34Å; V373-A375 PolarHBondContact O-N 3.21Å; V373-S376 PolarHBondContact O-N 3.36Å; V373-A377 PolarHBondContact O-N 3.31Å; V373-A377 VanDerWaalsContact O-N 3.13Å
374V97.6Very high96.9Very high0 Ų033.2 Ų33.20%018%0.184CC..Hα-helixtrans-61.7-43.1175.8174.20000111.3V337 I360 I363 H370 A371 A377 L379 I407V337-V374 HydrophobicContact CG1-CG2 4.33Å; V337-V374 HydrophobicContact CG2-CG2 4.38Å; I360-V374 HydrophobicContact CG2-CG1 3.64Å; I360-V374 HydrophobicContact CG2-CG2 4.34Å; I363-V374 HydrophobicContact CG2-CG2 4.48Å; H370-V374 PolarHBondContact O-N 3.32Å; A371-V374 PolarHBondContact O-N 2.93Å; V374-A377 PolarHBondContact O-N 2.76Å; V374-L379 HydrophobicContact CG1-CB 3.81Å; V374-L379 HydrophobicContact CG1-CD1 3.88Å; V374-L379 HydrophobicContact CG1-CG 4.48Å; V374-L379 WeakPolarHBondContact O-CB 3.22Å; V374-L379 PolarHBondContact O-N 3.21Å; V374-I407 HydrophobicContact CB-CG2 4.46Å; V374-I407 HydrophobicContact CG1-CD1 3.97Å; V374-I407 HydrophobicContact CG1-CG2 4.32Å
375A95.9Very high96.9Very high5 Ų538 Ų384%0.04121%0.207CC..Hα-helixtrans-64.2-41.3177.400000112.3A371 K372 V373 A377 N378 L380 A416A371-A375 VanDerWaalsContact O-CB 3.26Å; A371-A375 WeakPolarHBondContact O-CB 3.26Å; A371-A375 PolarHBondContact O-N 3.43Å; K372-A375 PolarHBondContact O-N 3.31Å; V373-A375 VanDerWaalsContact C-N 3.34Å; V373-A375 PolarHBondContact O-N 3.21Å; A375-A377 PolarHBondContact O-N 3.46Å; A375-N378 PolarHBondContact O-N 3.21Å; A375-L380 HydrophobicContact CB-CD1 3.78Å; A375-L380 HydrophobicContact CB-CG 4.29Å; A375-A416 HydrophobicContact CB-CB 3.65Å
376S95.4Very high96.9Very high75 Ų7535.8 Ų35.852%0.52420%0.197SC..Hα-helixtrans-67.7-23178.4-56.10000112.7K372 V373 N378K372-S376 VanDerWaalsContact O-CB 3.3Å; K372-S376 WeakPolarHBondContact O-CB 3.32Å; K372-S376 PolarHBondContact O-N 3.46Å; K372-S376 PolarHBondContact O-OG 3.48Å; V373-S376 PolarHBondContact O-N 3.36Å; S376-N378 PolarHBondContact O-N 3.17Å
377A96Very high96.9Very high33 Ų3336.5 Ų36.527%0.27320%0.199SC..THydrogen-bonded Turntrans-81.410.417200000113.4V337 V373 V374 A375 L379V337-A377 HydrophobicContact CG1-CB 3.77Å; V373-A377 PolarHBondContact O-N 3.31Å; V373-A377 VanDerWaalsContact O-N 3.13Å; V374-A377 PolarHBondContact O-N 2.76Å; A375-A377 PolarHBondContact O-N 3.46Å; A377-L379 HydrophobicContact CB-CD1 4.03Å; A377-L379 HydrophobicContact CB-CG 4.12Å; A377-L379 PolarHBondContact O-N 3.2Å
378N95.5Very high96.9Very high111 Ų11140.2 Ų40.259%0.59422%0.215SC*.THydrogen-bonded Turntrans5729.9-178.7-161.537.7000114.1A375 S376 P381A375-N378 PolarHBondContact O-N 3.21Å; S376-N378 PolarHBondContact O-N 3.17Å; N378-P381 WeakPolarHBondContact OD1-CG 3.36Å
379L97.5Very high96.9Very high4 Ų440 Ų402%0.02121%0.211CC..Hα-helixtrans-80.9-27.8-178-73168.8000112.8V337 A341 L344 I360 V374 A377 K382 L383V337-L379 HydrophobicContact CG1-CD1 3.76Å; A341-L379 HydrophobicContact CB-CD1 4.35Å; A341-L379 HydrophobicContact CB-CD2 3.7Å; A341-L379 HydrophobicContact CB-CG 4.18Å; L344-L379 HydrophobicContact CD2-CD2 4.01Å; I360-L379 HydrophobicContact CD1-CD1 3.93Å; I360-L379 HydrophobicContact CD1-CD2 3.86Å; I360-L379 HydrophobicContact CD1-CG 4.47Å; I360-L379 HydrophobicContact CG1-CD1 4.14Å; I360-L379 HydrophobicContact CG2-CD1 3.96Å; V374-L379 HydrophobicContact CG1-CB 3.81Å; V374-L379 HydrophobicContact CG1-CD1 3.88Å; V374-L379 HydrophobicContact CG1-CG 4.48Å; V374-L379 WeakPolarHBondContact O-CB 3.22Å; V374-L379 PolarHBondContact O-N 3.21Å; A377-L379 HydrophobicContact CB-CD1 4.03Å; A377-L379 HydrophobicContact CB-CG 4.12Å; A377-L379 PolarHBondContact O-N 3.2Å; L379-K382 PolarHBondContact O-N 2.94Å; L379-L383 WeakPolarHBondContact O-CB 3.44Å; L379-L383 WeakPolarHBondContact O-CG 3.14Å; L379-L383 PolarHBondContact O-N 2.95Å
380L97.3Very high96.8Very high0 Ų040.2 Ų40.20%023%0.228CC..Hα-helixtrans-62.9-48.4-178.3-59.6176.3000113A375 K382 L383 L384 L404 I407 L408 L420A375-L380 HydrophobicContact CB-CD1 3.78Å; A375-L380 HydrophobicContact CB-CG 4.29Å; L380-K382 VanDerWaalsContact C-N 3.28Å; L380-K382 PolarHBondContact O-N 2.72Å; L380-L383 PolarHBondContact O-N 2.91Å; L380-L384 PolarHBondContact O-N 2.71Å; L380-L404 HydrophobicContact CD2-CD2 4.35Å; L380-L404 WeakPolarHBondContact O-CD2 3.16Å; L380-I407 HydrophobicContact CD2-CB 4.14Å; L380-I407 HydrophobicContact CD2-CG2 3.75Å; L380-L408 HydrophobicContact CD1-CD2 4.08Å; L380-L420 HydrophobicContact CB-CD1 3.7Å; L380-L420 HydrophobicContact CB-CD2 4.44Å; L380-L420 HydrophobicContact CD1-CD1 3.98Å; L380-L420 HydrophobicContact CG-CD1 4.44Å
381P96.4Very high96.7Very high35 Ų3544 Ų4423%0.22726%0.255CS..Hα-helixtrans-62.3-37.5175.3-24.537.6000112.1N378 L383 L384 E385 P419N378-P381 WeakPolarHBondContact OD1-CG 3.36Å; P381-L383 PolarHBondContact O-N 3.34Å; P381-L384 WeakPolarHBondContact O-CB 3.41Å; P381-L384 PolarHBondContact O-N 2.91Å; P381-L384 VanDerWaalsContact O-N 3.15Å; P381-E385 PolarHBondContact O-N 3.44Å; P381-P419 HydrophobicContact CG-CB 4.38Å
382K96.6Very high96.6Very high53 Ų5344.5 Ų44.523%0.2326%0.259CS..Hα-helixtrans-65.4-40.4178.5-169.362.7-175.3173.30112.5L344 L379 L380 L384 E385 L386L344-K382 HydrophobicContact CD2-CG 3.95Å; L344-K382 HydrophobicContact CG-CG 4.47Å; L379-K382 PolarHBondContact O-N 2.94Å; L380-K382 VanDerWaalsContact C-N 3.28Å; L380-K382 PolarHBondContact O-N 2.72Å; K382-L384 VanDerWaalsContact C-N 3.29Å; K382-L384 PolarHBondContact O-N 3.36Å; K382-E385 VanDerWaalsContact CD-OE2 3.29Å; K382-E385 WeakPolarHBondContact CD-OE2 3.4Å; K382-E385 IonicContact NZ-OE1 2.63Å; K382-E385 PolarHBondContact NZ-OE1 3.03Å; K382-E385 IonicContact NZ-OE2 3.57Å; K382-E385 PolarHBondContact NZ-OE2 3.13Å; K382-E385 PolarHBondContact O-N 3.08Å; K382-L386 WeakPolarHBondContact O-CG 3.38Å; K382-L386 PolarHBondContact O-N 3.12Å
383L97.9Very high96.6Very high0 Ų042.7 Ų42.70%026%0.256CS..Hα-helixtrans-64.1-36.4173.7-69.2174.2000111.6V357 L379 L380 P381 Y387 S400 A403 L404 I407V357-L383 HydrophobicContact CB-CD2 4.14Å; V357-L383 HydrophobicContact CG1-CD2 3.65Å; V357-L383 HydrophobicContact CG2-CD2 3.61Å; L379-L383 WeakPolarHBondContact O-CB 3.44Å; L379-L383 WeakPolarHBondContact O-CG 3.14Å; L379-L383 PolarHBondContact O-N 2.95Å; L380-L383 PolarHBondContact O-N 2.91Å; P381-L383 PolarHBondContact O-N 3.34Å; L383-Y387 WeakPolarHBondContact O-CB 3.48Å; L383-Y387 PolarHBondContact O-N 3.46Å; L383-S400 WeakPolarHBondContact O-CB 3.44Å; L383-A403 HydrophobicContact CD1-CB 4.02Å; L383-A403 HydrophobicContact CD2-CB 4.43Å; L383-L404 HydrophobicContact CB-CD1 4.23Å; L383-L404 HydrophobicContact CB-CD2 3.66Å; L383-L404 HydrophobicContact CB-CG 3.69Å; L383-L404 HydrophobicContact CD1-CD2 4.41Å; L383-I407 HydrophobicContact CD1-CD1 4.05Å
384L97.6Very high96.6Very high9 Ų949.1 Ų49.15%0.04728%0.284CS..Hα-helixtrans-65.6-45.5175.1179.563.5000111.4L380 P381 K382 L386 Y387 M388 L404 L420 D423 A424L380-L384 PolarHBondContact O-N 2.71Å; P381-L384 WeakPolarHBondContact O-CB 3.41Å; P381-L384 PolarHBondContact O-N 2.91Å; P381-L384 VanDerWaalsContact O-N 3.15Å; K382-L384 VanDerWaalsContact C-N 3.29Å; K382-L384 PolarHBondContact O-N 3.36Å; L384-L386 PolarHBondContact O-N 3.5Å; L384-Y387 HydrophobicContact CD1-CD1 4.3Å; L384-Y387 PolarHBondContact O-N 3.29Å; L384-M388 HydrophobicContact CD1-CG 3.91Å; L384-M388 HydrophobicContact CG-CG 4.35Å; L384-M388 WeakPolarHBondContact O-CB 3.44Å; L384-M388 VanDerWaalsContact O-CG 3.27Å; L384-M388 WeakPolarHBondContact O-CG 3.46Å; L384-M388 PolarHBondContact O-N 2.76Å; L384-L404 HydrophobicContact CB-CD1 4.21Å; L384-L404 HydrophobicContact CD1-CD1 4.33Å; L384-L420 HydrophobicContact CB-CD2 3.83Å; L384-L420 HydrophobicContact CD2-CD2 3.62Å; L384-L420 HydrophobicContact CG-CD2 4.29Å; L384-D423 HydrophobicContact CD2-CB 3.88Å; L384-A424 HydrophobicContact CD1-CB 4.36Å; L384-A424 HydrophobicContact CD2-CB 4.06Å
385E96.9Very high96.6Very high100 Ų10052.8 Ų52.847%0.46730%0.303SS..Hα-helixtrans-55.4-51174.6-173.6-164.7146.100111P381 K382 Y387 M388 D389P381-E385 PolarHBondContact O-N 3.44Å; K382-E385 VanDerWaalsContact CD-OE2 3.29Å; K382-E385 WeakPolarHBondContact CD-OE2 3.4Å; K382-E385 IonicContact NZ-OE1 2.63Å; K382-E385 PolarHBondContact NZ-OE1 3.03Å; K382-E385 IonicContact NZ-OE2 3.57Å; K382-E385 PolarHBondContact NZ-OE2 3.13Å; K382-E385 PolarHBondContact O-N 3.08Å; E385-Y387 VanDerWaalsContact C-N 3.29Å; E385-Y387 PolarHBondContact O-N 3.1Å; E385-M388 PolarHBondContact O-N 3.21Å; E385-M388 VanDerWaalsContact O-N 3.14Å; E385-D389 VanDerWaalsContact O-CB 3.29Å; E385-D389 WeakPolarHBondContact O-CB 3.5Å; E385-D389 PolarHBondContact O-N 3.44Å
386L97.3Very high96.7Very high4 Ų452.6 Ų52.62%0.02130%0.302CS..Hα-helixtrans-63.1-34.1179.5-68.2173.7000113.1L344 K353 V357 K382 L384 S392 L396L344-L386 HydrophobicContact CD1-CD1 3.71Å; L344-L386 HydrophobicContact CD2-CD1 4.06Å; L344-L386 HydrophobicContact CG-CD1 4.09Å; K353-L386 HydrophobicContact CD-CD2 4.35Å; V357-L386 HydrophobicContact CG2-CD1 4.16Å; K382-L386 WeakPolarHBondContact O-CG 3.38Å; K382-L386 PolarHBondContact O-N 3.12Å; L384-L386 PolarHBondContact O-N 3.5Å; L386-S392 WeakPolarHBondContact O-CB 3.38Å; L386-S392 PolarHBondContact O-OG 3.45Å; L386-S392 VanDerWaalsContact O-OG 3.05Å; L386-L396 HydrophobicContact CD1-CD1 4.46Å; L386-L396 HydrophobicContact CD2-CD2 4.27Å
387Y97.6Very high96.8Very high39 Ų3951.4 Ų51.415%0.15329%0.288CS..Hα-helixtrans-68.2-39.3174.8170.5-130.1000112.2L383 L384 E385 Q397 K401 L404 P425 N427 I428L383-Y387 WeakPolarHBondContact O-CB 3.48Å; L383-Y387 PolarHBondContact O-N 3.46Å; L384-Y387 HydrophobicContact CD1-CD1 4.3Å; L384-Y387 PolarHBondContact O-N 3.29Å; E385-Y387 VanDerWaalsContact C-N 3.29Å; E385-Y387 PolarHBondContact O-N 3.1Å; Y387-Q397 HydrophobicContact CD2-CB 4.33Å; Y387-K401 HydrophobicContact CD2-CB 3.67Å; Y387-K401 HydrophobicContact CD2-CD 4.42Å; Y387-K401 HydrophobicContact CD2-CG 4.24Å; Y387-K401 HydrophobicContact CE1-CG 4.32Å; Y387-K401 HydrophobicContact CE2-CB 3.84Å; Y387-K401 HydrophobicContact CE2-CD 3.72Å; Y387-K401 HydrophobicContact CE2-CG 3.96Å; Y387-K401 HydrophobicContact CG-CB 4.09Å; Y387-L404 HydrophobicContact CD1-CD1 4.45Å; Y387-P425 HydrophobicContact CE1-CG 3.88Å; Y387-N427 PolarHBondContact OH-ND2 3.02Å; Y387-I428 HydrophobicContact CD1-CG1 4.17Å; Y387-I428 HydrophobicContact CE1-CD1 4.49Å; Y387-I428 HydrophobicContact CE1-CG1 3.9Å
388M96.9Very high96.9Very high102 Ų10252.7 Ų52.750%0.50230%0.298SS..Hα-helixtrans-86.7-20.2-175.4-65.6-62.8-70.200113.6L384 E385 A390 P425L384-M388 HydrophobicContact CD1-CG 3.91Å; L384-M388 HydrophobicContact CG-CG 4.35Å; L384-M388 WeakPolarHBondContact O-CB 3.44Å; L384-M388 VanDerWaalsContact O-CG 3.27Å; L384-M388 WeakPolarHBondContact O-CG 3.46Å; L384-M388 PolarHBondContact O-N 2.76Å; E385-M388 PolarHBondContact O-N 3.21Å; E385-M388 VanDerWaalsContact O-N 3.14Å; M388-A390 PolarHBondContact O-N 3.43Å; M388-P425 HydrophobicContact CE-CB 4.36Å; M388-P425 HydrophobicContact CE-CG 4.27Å; M388-P425 HydrophobicContact SD-CB 4.25Å; M388-P425 HydrophobicContact SD-CG 3.58Å; M388-P425 VanDerWaalsContact SD-CG 3.58Å
389D96.1Very high97Very high59 Ų5950.4 Ų50.432%0.31628%0.283SS..  trans-68.4114-179.9-177.1-3.3000111.2E385 S391 S392 Q397E385-D389 VanDerWaalsContact O-CB 3.29Å; E385-D389 WeakPolarHBondContact O-CB 3.5Å; E385-D389 PolarHBondContact O-N 3.44Å; D389-S391 PolarHBondContact O-N 3.06Å; D389-S391 VanDerWaalsContact OD1-CB 3.31Å; D389-S391 WeakPolarHBondContact OD1-CB 3.44Å; D389-S391 PolarHBondContact OD1-N 2.97Å; D389-S391 PolarHBondContact OD1-OG 2.83Å; D389-S391 PolarHBondContact OD2-OG 3.39Å; D389-S392 VanDerWaalsContact O-CB 3.26Å; D389-S392 WeakPolarHBondContact O-CB 3.37Å; D389-S392 PolarHBondContact O-N 3.28Å; D389-Q397 PolarHBondContact O-NE2 3.25Å
390A94.4Very high97.1Very high97 Ų9750.2 Ų50.280%0.80228%0.282SS*.THydrogen-bonded Turntrans-65-17.2178.600000113.7M388 S392M388-A390 PolarHBondContact O-N 3.43Å; A390-S392 VanDerWaalsContact C-N 3.34Å
391S95.1Very high97.1Very high82 Ų8253.6 Ų53.657%0.57330%0.297SS*.THydrogen-bonded Turntrans-81.5-14.5173.878.70000113.1Q350 D389Q350-S391 PolarHBondContact NE2-O 3.1Å; D389-S391 PolarHBondContact O-N 3.06Å; D389-S391 VanDerWaalsContact OD1-CB 3.31Å; D389-S391 WeakPolarHBondContact OD1-CB 3.44Å; D389-S391 PolarHBondContact OD1-N 2.97Å; D389-S391 PolarHBondContact OD1-OG 2.83Å; D389-S391 PolarHBondContact OD2-OG 3.39Å
392S96.1Very high97.2Very high11 Ų1157.6 Ų57.68%0.07731%0.311CS..SBendtrans-69.7138173.1-68.40000111.3L386 D389 A390 Q397L386-S392 WeakPolarHBondContact O-CB 3.38Å; L386-S392 PolarHBondContact O-OG 3.45Å; L386-S392 VanDerWaalsContact O-OG 3.05Å; D389-S392 VanDerWaalsContact O-CB 3.26Å; D389-S392 WeakPolarHBondContact O-CB 3.37Å; D389-S392 PolarHBondContact O-N 3.28Å; A390-S392 VanDerWaalsContact C-N 3.34Å; S392-Q397 PolarHBondContact O-NE2 2.91Å
393S96.9Very high97.3Very high43 Ų4355.1 Ų55.130%0.30130%0.3SS..  trans-61.1151.8172.159.60000111Q350 D395 L396 Q397Q350-S393 VanDerWaalsContact OE1-CB 3.3Å; Q350-S393 PolarHBondContact OE1-OG 2.85Å; S393-D395 VanDerWaalsContact C-N 3.25Å; S393-D395 PolarHBondContact O-N 2.94Å; S393-L396 PolarHBondContact O-N 3.46Å; S393-L396 WeakPolarHBondContact OG-CB 3.46Å; S393-L396 PolarHBondContact OG-N 2.96Å; S393-Q397 PolarHBondContact O-N 2.98Å
394E97Very high97.2Very high170 Ų17055.1 Ų55.179%0.79430%0.3SS*.Hα-helixtrans-55.9-39.9-180-63.8-176.9173.400112.4A398E394-A398 WeakPolarHBondContact O-CB 3.44Å; E394-A398 PolarHBondContact O-N 3.35Å
395D97.5Very high97.2Very high76 Ų7658 Ų5841%0.40631%0.312SS..Hα-helixtrans-62.8-43.4176.4178.471.7000111.8S354 S393 A398 K399S354-D395 WeakPolarHBondContact CB-OD2 3.41Å; S354-D395 PolarHBondContact OG-OD2 3.11Å; S393-D395 VanDerWaalsContact C-N 3.25Å; S393-D395 PolarHBondContact O-N 2.94Å; D395-A398 PolarHBondContact O-N 3.16Å; D395-K399 VanDerWaalsContact CG-NZ 3.28Å; D395-K399 WeakPolarHBondContact O-CB 3.26Å; D395-K399 WeakPolarHBondContact O-CG 3.31Å; D395-K399 PolarHBondContact O-N 2.7Å; D395-K399 WeakPolarHBondContact OD1-CE 3.32Å; D395-K399 IonicContact OD1-NZ 2.79Å; D395-K399 PolarHBondContact OD1-NZ 2.91Å; D395-K399 IonicContact OD2-NZ 3.26Å; D395-K399 PolarHBondContact OD2-NZ 3.04Å
396L97.9Very high97.2Very high2 Ų255.3 Ų55.31%0.0130%0.301CS..Hα-helixtrans-66.9-45.2179-179.655.4000111.6K353 S354 V357 L386 S393 K399 S400K353-L396 HydrophobicContact CB-CD1 3.84Å; K353-L396 HydrophobicContact CB-CD2 4.01Å; K353-L396 HydrophobicContact CD-CD2 4.21Å; S354-L396 VanDerWaalsContact OG-CA 3.27Å; S354-L396 WeakPolarHBondContact OG-CA 3.26Å; S354-L396 WeakPolarHBondContact OG-CB 3.37Å; S354-L396 PolarHBondContact OG-N 3.21Å; V357-L396 HydrophobicContact CG2-CD1 4.04Å; L386-L396 HydrophobicContact CD1-CD1 4.46Å; L386-L396 HydrophobicContact CD2-CD2 4.27Å; S393-L396 PolarHBondContact O-N 3.46Å; S393-L396 WeakPolarHBondContact OG-CB 3.46Å; S393-L396 PolarHBondContact OG-N 2.96Å; L396-K399 PolarHBondContact O-N 3.12Å; L396-S400 VanDerWaalsContact O-CB 3.25Å; L396-S400 WeakPolarHBondContact O-CB 3.33Å; L396-S400 PolarHBondContact O-N 3.27Å; L396-S400 PolarHBondContact O-OG 3.43Å
397Q97.9Very high97.3Very high50 Ų5055.1 Ų55.123%0.23430%0.3CS..Hα-helixtrans-62.1-45.4176.1-70.2-178.8-11.800111.2Y387 D389 S392 S393 S400 K401Y387-Q397 HydrophobicContact CD2-CB 4.33Å; D389-Q397 PolarHBondContact O-NE2 3.25Å; S392-Q397 PolarHBondContact O-NE2 2.91Å; S393-Q397 PolarHBondContact O-N 2.98Å; Q397-S400 PolarHBondContact O-N 3.36Å; Q397-K401 VanDerWaalsContact O-CB 3.32Å; Q397-K401 WeakPolarHBondContact O-CB 3.23Å; Q397-K401 PolarHBondContact O-N 3.06Å
398A98Very high97.2Very high59 Ų5953.3 Ų53.349%0.48829%0.293SS..Hα-helixtrans-62.3-45.5179.800000111.9E394 D395 K402E394-A398 WeakPolarHBondContact O-CB 3.44Å; E394-A398 PolarHBondContact O-N 3.35Å; D395-A398 PolarHBondContact O-N 3.16Å; A398-K402 WeakPolarHBondContact O-CB 3.25Å; A398-K402 PolarHBondContact O-N 3.32Å
399K98.4Very high97.1Very high64 Ų6453.1 Ų53.128%0.27829%0.291SS..Hα-helixtrans-66.3-41.2176.1-76.1172.1178.5159.20112.1S354 V357 W358 D395 L396 K402 A403S354-K399 WeakPolarHBondContact O-CD 3.35Å; V357-K399 HydrophobicContact CG1-CB 4Å; W358-K399 HydrophobicContact CB-CD 4.39Å; D395-K399 VanDerWaalsContact CG-NZ 3.28Å; D395-K399 WeakPolarHBondContact O-CB 3.26Å; D395-K399 WeakPolarHBondContact O-CG 3.31Å; D395-K399 PolarHBondContact O-N 2.7Å; D395-K399 WeakPolarHBondContact OD1-CE 3.32Å; D395-K399 IonicContact OD1-NZ 2.79Å; D395-K399 PolarHBondContact OD1-NZ 2.91Å; D395-K399 IonicContact OD2-NZ 3.26Å; D395-K399 PolarHBondContact OD2-NZ 3.04Å; L396-K399 PolarHBondContact O-N 3.12Å; K399-K402 PolarHBondContact O-N 3.45Å; K399-A403 VanDerWaalsContact O-CB 3.29Å; K399-A403 WeakPolarHBondContact O-CB 3.29Å; K399-A403 PolarHBondContact O-N 3Å
400S98.4Very high97.1Very high0 Ų054.2 Ų54.20%029%0.293CS..Hα-helixtrans-63.2-45.4177.9-58.30000111.4L383 L396 Q397 K402 A403 L404L383-S400 WeakPolarHBondContact O-CB 3.44Å; L396-S400 VanDerWaalsContact O-CB 3.25Å; L396-S400 WeakPolarHBondContact O-CB 3.33Å; L396-S400 PolarHBondContact O-N 3.27Å; L396-S400 PolarHBondContact O-OG 3.43Å; Q397-S400 PolarHBondContact O-N 3.36Å; S400-K402 PolarHBondContact O-N 3Å; S400-A403 PolarHBondContact O-N 3.21Å; S400-L404 WeakPolarHBondContact O-CB 3.25Å; S400-L404 VanDerWaalsContact O-CG 3.31Å; S400-L404 WeakPolarHBondContact O-CG 3.41Å; S400-L404 PolarHBondContact O-N 3.39Å
401K98Very high97Very high71 Ų7149.6 Ų49.631%0.30926%0.255SS..Hα-helixtrans-58.9-46.2173.1-172.7-175.8-176.2172.50112.2Y387 Q397 K405 N427 I428Y387-K401 HydrophobicContact CD2-CB 3.67Å; Y387-K401 HydrophobicContact CD2-CD 4.42Å; Y387-K401 HydrophobicContact CD2-CG 4.24Å; Y387-K401 HydrophobicContact CE1-CG 4.32Å; Y387-K401 HydrophobicContact CE2-CB 3.84Å; Y387-K401 HydrophobicContact CE2-CD 3.72Å; Y387-K401 HydrophobicContact CE2-CG 3.96Å; Y387-K401 HydrophobicContact CG-CB 4.09Å; Q397-K401 VanDerWaalsContact O-CB 3.32Å; Q397-K401 WeakPolarHBondContact O-CB 3.23Å; Q397-K401 PolarHBondContact O-N 3.06Å; K401-K405 HydrophobicContact CG-CD 4.4Å; K401-K405 VanDerWaalsContact O-CG 3.32Å; K401-K405 WeakPolarHBondContact O-CG 3.45Å; K401-K405 PolarHBondContact O-N 2.89Å; K401-K405 VanDerWaalsContact O-N 3.11Å; K401-N427 WeakPolarHBondContact CE-ND2 3.49Å; K401-N427 PolarHBondContact NZ-ND2 3.39Å; K401-I428 HydrophobicContact CG-CD1 4.13Å
402K98.1Very high96.8Very high119 Ų11948.8 Ų48.852%0.51725%0.246SC..Hα-helixtrans-62.7-49.1179.5-176.7178.8175.2-177.10111A398 K399 S400 L404 K405 N406A398-K402 WeakPolarHBondContact O-CB 3.25Å; A398-K402 PolarHBondContact O-N 3.32Å; K399-K402 PolarHBondContact O-N 3.45Å; S400-K402 PolarHBondContact O-N 3Å; K402-L404 PolarHBondContact O-N 3.42Å; K402-K405 PolarHBondContact O-N 3.03Å; K402-N406 PolarHBondContact O-N 3.11Å
403A98.4Very high96.5Very high0 Ų051 Ų510%026%0.255CS..Hα-helixtrans-56-50.1177.300000111.4V357 D361 L383 K399 S400 K405 N406 I407V357-A403 HydrophobicContact CG1-CB 3.87Å; D361-A403 HydrophobicContact CB-CB 3.75Å; L383-A403 HydrophobicContact CD1-CB 4.02Å; L383-A403 HydrophobicContact CD2-CB 4.43Å; K399-A403 VanDerWaalsContact O-CB 3.29Å; K399-A403 WeakPolarHBondContact O-CB 3.29Å; K399-A403 PolarHBondContact O-N 3Å; S400-A403 PolarHBondContact O-N 3.21Å; A403-K405 PolarHBondContact O-N 3.24Å; A403-N406 PolarHBondContact O-N 3.32Å; A403-I407 HydrophobicContact CB-CD1 4.28Å; A403-I407 WeakPolarHBondContact O-CB 3.41Å; A403-I407 WeakPolarHBondContact O-CD1 3.27Å; A403-I407 WeakPolarHBondContact O-CG1 3.49Å; A403-I407 PolarHBondContact O-N 2.81Å
404L97.4Very high96Very high0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-53.1-52.5176-78.6166.7000111.8L380 L383 L384 Y387 S400 K402 N406 L408 I428L380-L404 HydrophobicContact CD2-CD2 4.35Å; L380-L404 WeakPolarHBondContact O-CD2 3.16Å; L383-L404 HydrophobicContact CB-CD1 4.23Å; L383-L404 HydrophobicContact CB-CD2 3.66Å; L383-L404 HydrophobicContact CB-CG 3.69Å; L383-L404 HydrophobicContact CD1-CD2 4.41Å; L384-L404 HydrophobicContact CB-CD1 4.21Å; L384-L404 HydrophobicContact CD1-CD1 4.33Å; Y387-L404 HydrophobicContact CD1-CD1 4.45Å; S400-L404 WeakPolarHBondContact O-CB 3.25Å; S400-L404 VanDerWaalsContact O-CG 3.31Å; S400-L404 WeakPolarHBondContact O-CG 3.41Å; S400-L404 PolarHBondContact O-N 3.39Å; K402-L404 PolarHBondContact O-N 3.42Å; L404-N406 PolarHBondContact O-N 2.92Å; L404-L408 HydrophobicContact CB-CD1 4.47Å; L404-L408 WeakPolarHBondContact O-CB 3.19Å; L404-L408 WeakPolarHBondContact O-CD1 3.5Å; L404-L408 WeakPolarHBondContact O-CG 3.48Å; L404-L408 PolarHBondContact O-N 3.1Å; L404-I428 HydrophobicContact CB-CD1 4.23Å; L404-I428 HydrophobicContact CD1-CD1 4.42Å
405K97.2Very high95.6Very high70 Ų7044.5 Ų44.530%0.30423%0.227SC..Hα-helixtrans-60.8-46.4-177.1-69.8177.775.9-1670111.7K401 K402 A403 Q409 I428 H431K401-K405 HydrophobicContact CG-CD 4.4Å; K401-K405 VanDerWaalsContact O-CG 3.32Å; K401-K405 WeakPolarHBondContact O-CG 3.45Å; K401-K405 PolarHBondContact O-N 2.89Å; K401-K405 VanDerWaalsContact O-N 3.11Å; K402-K405 PolarHBondContact O-N 3.03Å; A403-K405 PolarHBondContact O-N 3.24Å; K405-Q409 WeakPolarHBondContact O-CG 3.48Å; K405-Q409 PolarHBondContact O-N 3.42Å; K405-Q409 VanDerWaalsContact O-N 3.08Å; K405-I428 HydrophobicContact CD-CD1 4.42Å; K405-I428 HydrophobicContact CG-CD1 3.77Å; K405-H431 WeakPolarHBondContact CE-NE2 3.49Å
406N97.6Very high95.2Very high44 Ų4441.7 Ų41.724%0.23521%0.214CC..Hα-helixtrans-64.9-47.8-178.2-73.2-8.2000111.9D361 H365 K402 A403 L404 Q409D361-N406 WeakPolarHBondContact OD1-CB 3.38Å; D361-N406 PolarHBondContact OD1-ND2 3.44Å; D361-N406 PolarHBondContact OD2-ND2 3.22Å; H365-N406 HydrophobicContact CB-CB 3.86Å; K402-N406 PolarHBondContact O-N 3.11Å; A403-N406 PolarHBondContact O-N 3.32Å; L404-N406 PolarHBondContact O-N 2.92Å; N406-Q409 PolarHBondContact O-N 2.98Å
407I97.7Very high94.8Very high0 Ų041.6 Ų41.60%021%0.213CC..Hα-helixtrans-69.4-43-178.3-59.8160.5000110.2I360 A371 V374 L380 L383 A403 Q409 K410 C411I360-I407 HydrophobicContact CG2-CD1 4.13Å; A371-I407 HydrophobicContact CB-CG2 3.91Å; V374-I407 HydrophobicContact CB-CG2 4.46Å; V374-I407 HydrophobicContact CG1-CD1 3.97Å; V374-I407 HydrophobicContact CG1-CG2 4.32Å; L380-I407 HydrophobicContact CD2-CB 4.14Å; L380-I407 HydrophobicContact CD2-CG2 3.75Å; L383-I407 HydrophobicContact CD1-CD1 4.05Å; A403-I407 HydrophobicContact CB-CD1 4.28Å; A403-I407 WeakPolarHBondContact O-CB 3.41Å; A403-I407 WeakPolarHBondContact O-CD1 3.27Å; A403-I407 WeakPolarHBondContact O-CG1 3.49Å; A403-I407 PolarHBondContact O-N 2.81Å; I407-Q409 VanDerWaalsContact C-N 3.26Å; I407-Q409 PolarHBondContact O-N 3.03Å; I407-K410 PolarHBondContact O-N 3.21Å; I407-C411 WeakPolarHBondContact O-CB 3.31Å; I407-C411 PolarHBondContact O-N 2.7Å
408L96.3Very high94.3Very high0 Ų040.8 Ų40.80%021%0.209CC..Hα-helixtrans-61.3-33.5176.7-74.6171.9000112.3L380 L404 K410 C411 L417 L420 I428 H431 V432 Q435L380-L408 HydrophobicContact CD1-CD2 4.08Å; L404-L408 HydrophobicContact CB-CD1 4.47Å; L404-L408 WeakPolarHBondContact O-CB 3.19Å; L404-L408 WeakPolarHBondContact O-CD1 3.5Å; L404-L408 WeakPolarHBondContact O-CG 3.48Å; L404-L408 PolarHBondContact O-N 3.1Å; L408-K410 PolarHBondContact O-N 2.89Å; L408-K410 VanDerWaalsContact O-N 3.16Å; L408-C411 PolarHBondContact O-N 3.24Å; L408-L417 HydrophobicContact CD2-CD2 3.36Å; L408-L420 HydrophobicContact CD2-CD1 3.87Å; L408-I428 HydrophobicContact CD1-CG2 3.83Å; L408-H431 HydrophobicContact CB-CB 4.15Å; L408-H431 HydrophobicContact CD1-CB 4.26Å; L408-V432 HydrophobicContact CD1-CG2 3.9Å; L408-V432 HydrophobicContact CD2-CG2 4.25Å; L408-Q435 WeakPolarHBondContact O-CG 3.44Å; L408-Q435 PolarHBondContact O-NE2 2.99Å
409Q94.9Very high94Very high98 Ų9840.5 Ų40.546%0.45820%0.202SC..Hα-helixtrans-61.9-22.7175.9-79.3173.612.700113.5K405 N406 I407 Q435K405-Q409 WeakPolarHBondContact O-CG 3.48Å; K405-Q409 PolarHBondContact O-N 3.42Å; K405-Q409 VanDerWaalsContact O-N 3.08Å; N406-Q409 PolarHBondContact O-N 2.98Å; I407-Q409 VanDerWaalsContact C-N 3.26Å; I407-Q409 PolarHBondContact O-N 3.03Å; Q409-Q435 VanDerWaalsContact CA-NE2 3.34Å; Q409-Q435 PolarHBondContact O-NE2 3.46Å
410K95.2Very high93.8Very high83 Ų8337.5 Ų37.536%0.36119%0.189SC..Hα-helixtrans-106-19.6179.6-56.2-61-177.3160.60113.4H365 H366 P368 A371 I407 L408 T412H365-K410 VanDerWaalsContact O-CE 3.31Å; H365-K410 WeakPolarHBondContact O-CE 3.39Å; H365-K410 WeakPolarHBondContact O-CG 3.45Å; H366-K410 WeakPolarHBondContact O-CE 3.43Å; H366-K410 PolarHBondContact O-NZ 3.38Å; P368-K410 VanDerWaalsContact CA-O 3.28Å; P368-K410 WeakPolarHBondContact CA-O 3.42Å; A371-K410 HydrophobicContact CB-CB 3.77Å; I407-K410 PolarHBondContact O-N 3.21Å; L408-K410 PolarHBondContact O-N 2.89Å; L408-K410 VanDerWaalsContact O-N 3.16Å; K410-T412 PolarHBondContact O-N 3.27Å
411C93.9Very high93.5Very high0 Ų037.6 Ų37.60%019%0.19CC..  trans-72114.3-172.9-171.50000112.5A371 I407 L408 L417 Q435A371-C411 HydrophobicContact CB-CB 4.09Å; I407-C411 WeakPolarHBondContact O-CB 3.31Å; I407-C411 PolarHBondContact O-N 2.7Å; L408-C411 PolarHBondContact O-N 3.24Å; C411-L417 HydrophobicContact CB-CD2 4.12Å; C411-Q435 WeakPolarHBondContact O-CG 3.29Å; C411-Q435 PolarHBondContact O-OE1 2.95Å
412T90.5Very high93.2Very high65 Ų6538.6 Ų38.640%0.39919%0.193SC..  trans-102.22.6172.256.10000112.8P368 K410 V414 V439P368-T412 HydrophobicContact CB-CG2 4.25Å; K410-T412 PolarHBondContact O-N 3.27Å; T412-V414 PolarHBondContact O-N 3.45Å; T412-V414 VanDerWaalsContact O-N 3.11Å; T412-V439 HydrophobicContact CG2-CG2 4.22Å
413H89.6Confident92.8Very high57 Ų5738.6 Ų38.626%0.26420%0.198SC..  trans-83.687.9-176.9-17350.4000111.9K372 P415 A416 L417K372-H413 HydrophobicContact CB-CB 4.39Å; K372-H413 HydrophobicContact CG-CB 4.12Å; H413-P415 VanDerWaalsContact C-CD 3.48Å; H413-A416 PolarHBondContact O-N 3.33Å; H413-A416 VanDerWaalsContact O-N 3.11Å; H413-L417 PolarHBondContact O-N 2.89Å
414V86.1Confident92.6Very high11 Ų1139.1 Ų39.17%0.06720%0.203CC..Hα-helixtrans-46.8-48.6-174.5-174.40000114.7T412 A416 L417 E418 F436 V439 A446T412-V414 PolarHBondContact O-N 3.45Å; T412-V414 VanDerWaalsContact O-N 3.11Å; V414-A416 PolarHBondContact O-N 2.91Å; V414-L417 WeakPolarHBondContact O-CB 3.42Å; V414-L417 PolarHBondContact O-N 2.87Å; V414-E418 PolarHBondContact O-N 3.2Å; V414-F436 HydrophobicContact CG1-CD1 4.07Å; V414-F436 HydrophobicContact CG1-CE1 3.45Å; V414-F436 VanDerWaalsContact CG1-CE1 3.45Å; V414-F436 HydrophobicContact CG1-CZ 4.38Å; V414-V439 HydrophobicContact CG2-CB 4.09Å; V414-V439 HydrophobicContact CG2-CG1 3.46Å; V414-V439 VanDerWaalsContact CG2-CG1 3.46Å; V414-A446 HydrophobicContact CG1-CB 4.43Å; V414-A446 HydrophobicContact CG2-CB 4.09Å
415P88Confident92.4Very high66 Ų6640.7 Ų40.743%0.42921%0.213SC..Hα-helixtrans-59.4-31.5-177.8-25.236.1000114.1H413 P419H413-P415 VanDerWaalsContact C-CD 3.48Å; P415-P419 WeakPolarHBondContact O-CD 3.39Å
416A88.9Confident92Very high16 Ų1641.8 Ų41.813%0.13223%0.229CC..Hα-helixtrans-83.5-15.2178.700000113.5A375 H413 V414A375-A416 HydrophobicContact CB-CB 3.65Å; H413-A416 PolarHBondContact O-N 3.33Å; H413-A416 VanDerWaalsContact O-N 3.11Å; V414-A416 PolarHBondContact O-N 2.91Å
417L90.7Very high91.6Very high0 Ų041.9 Ų41.90%023%0.229CC..Hα-helixtrans-81.1-27175.1-64.2178.6000112.2L408 C411 H413 V414 L420 L421 V432 Q435 F436L408-L417 HydrophobicContact CD2-CD2 3.36Å; C411-L417 HydrophobicContact CB-CD2 4.12Å; H413-L417 PolarHBondContact O-N 2.89Å; V414-L417 WeakPolarHBondContact O-CB 3.42Å; V414-L417 PolarHBondContact O-N 2.87Å; L417-L420 WeakPolarHBondContact O-CB 3.34Å; L417-L420 PolarHBondContact O-N 3.04Å; L417-L421 PolarHBondContact O-N 2.93Å; L417-V432 HydrophobicContact CB-CG1 4.37Å; L417-Q435 HydrophobicContact CD1-CB 3.59Å; L417-Q435 HydrophobicContact CD1-CG 4.44Å; L417-F436 HydrophobicContact CB-CD2 4.5Å; L417-F436 HydrophobicContact CB-CE1 4.49Å; L417-F436 HydrophobicContact CB-CE2 3.66Å; L417-F436 HydrophobicContact CB-CZ 3.65Å
418E87.8Confident91.5Very high33 Ų3341.9 Ų41.915%0.15423%0.229CC..Hα-helixtrans-61.5-46.4-172175.6156.3-140.500114.5V414 L420 L421 Y422 F436 S453V414-E418 PolarHBondContact O-N 3.2Å; E418-L420 PolarHBondContact O-N 2.9Å; E418-L421 VanDerWaalsContact O-CB 3.23Å; E418-L421 WeakPolarHBondContact O-CB 3.46Å; E418-L421 PolarHBondContact O-N 3.24Å; E418-Y422 HydrophobicContact CG-CE2 3.94Å; E418-Y422 VanDerWaalsContact O-CD2 3.25Å; E418-Y422 WeakPolarHBondContact O-CD2 3.39Å; E418-F436 HydrophobicContact CB-CZ 4.4Å; E418-S453 VanDerWaalsContact CD-OG 3.3Å; E418-S453 WeakPolarHBondContact OE1-CB 3.41Å; E418-S453 PolarHBondContact OE1-OG 3.41Å; E418-S453 PolarHBondContact OE2-OG 3.43Å
419P90.7Very high91.4Very high53 Ų5342.8 Ų42.834%0.34423%0.234SC..Hα-helixtrans-56.1-37.1176.3-25.735000112.8P381 P415 L421 Y422 D423P381-P419 HydrophobicContact CG-CB 4.38Å; P415-P419 WeakPolarHBondContact O-CD 3.39Å; P419-L421 VanDerWaalsContact C-N 3.25Å; P419-L421 PolarHBondContact O-N 3.3Å; P419-Y422 PolarHBondContact O-N 3.18Å; P419-D423 PolarHBondContact O-N 3.38Å
420L93.8Very high91.3Very high1 Ų142.3 Ų42.31%0.00523%0.231CC..Hα-helixtrans-70.2-22.1-179.3-57.8155.2000112.2L380 L384 L408 L417 E418 Y422 A424 V432L380-L420 HydrophobicContact CB-CD1 3.7Å; L380-L420 HydrophobicContact CB-CD2 4.44Å; L380-L420 HydrophobicContact CD1-CD1 3.98Å; L380-L420 HydrophobicContact CG-CD1 4.44Å; L384-L420 HydrophobicContact CB-CD2 3.83Å; L384-L420 HydrophobicContact CD2-CD2 3.62Å; L384-L420 HydrophobicContact CG-CD2 4.29Å; L408-L420 HydrophobicContact CD2-CD1 3.87Å; L417-L420 WeakPolarHBondContact O-CB 3.34Å; L417-L420 PolarHBondContact O-N 3.04Å; E418-L420 PolarHBondContact O-N 2.9Å; L420-Y422 PolarHBondContact O-N 3.5Å; L420-A424 WeakPolarHBondContact O-CB 3.08Å; L420-A424 PolarHBondContact O-N 3.27Å; L420-A424 VanDerWaalsContact O-N 3.08Å; L420-V432 HydrophobicContact CB-CG1 4.33Å; L420-V432 HydrophobicContact CB-CG2 3.75Å
421L92.7Very high91.3Very high2 Ų239.6 Ų39.61%0.0122%0.219CC..Hα-helixtrans-64.6-29.2176.1-174.167.1000111.8L417 E418 P419 L429 V432 V433 F436 F450 K458 V459 I462L417-L421 PolarHBondContact O-N 2.93Å; E418-L421 VanDerWaalsContact O-CB 3.23Å; E418-L421 WeakPolarHBondContact O-CB 3.46Å; E418-L421 PolarHBondContact O-N 3.24Å; P419-L421 VanDerWaalsContact C-N 3.25Å; P419-L421 PolarHBondContact O-N 3.3Å; L421-L429 HydrophobicContact CD1-CD1 4.03Å; L421-V432 HydrophobicContact CB-CG1 4.41Å; L421-V433 HydrophobicContact CD1-CG2 4.01Å; L421-F436 HydrophobicContact CB-CE2 4.48Å; L421-F450 HydrophobicContact CD2-CE2 3.94Å; L421-F450 HydrophobicContact CD2-CZ 4.18Å; L421-K458 HydrophobicContact CD2-CB 4.05Å; L421-K458 HydrophobicContact CD2-CG 4.21Å; L421-K458 HydrophobicContact CG-CB 4.34Å; L421-K458 HydrophobicContact CG-CG 3.94Å; L421-V459 HydrophobicContact CD1-CG2 4.12Å; L421-V459 HydrophobicContact CD2-CG2 4.32Å; L421-I462 HydrophobicContact CD1-CD1 4.2Å
422Y90.8Very high91.3Very high93 Ų9339.6 Ų39.637%0.36522%0.219SC..Hα-helixtrans-89.6-41-177.4-62.5-84000112.4E418 P419 L420 S453 G454 G455 K458E418-Y422 HydrophobicContact CG-CE2 3.94Å; E418-Y422 VanDerWaalsContact O-CD2 3.25Å; E418-Y422 WeakPolarHBondContact O-CD2 3.39Å; P419-Y422 PolarHBondContact O-N 3.18Å; L420-Y422 PolarHBondContact O-N 3.5Å; Y422-S453 PolarHBondContact OH-O 3.07Å; Y422-S453 VanDerWaalsContact OH-O 3.12Å; Y422-G454 VanDerWaalsContact OH-C 3.3Å; Y422-G455 PolarHBondContact OH-N 3.29Å; Y422-K458 HydrophobicContact CD1-CB 4.36Å; Y422-K458 HydrophobicContact CD1-CD 3.94Å; Y422-K458 HydrophobicContact CD1-CG 3.83Å; Y422-K458 HydrophobicContact CE1-CB 3.81Å; Y422-K458 HydrophobicContact CE1-CD 4.14Å; Y422-K458 HydrophobicContact CE1-CG 3.81Å
423D91.3Very high91.5Very high119 Ų11936.5 Ų36.564%0.63620%0.2SC*.Hα-helixtrans-100.9-18.6-168.5-59.9-30.8000114L384 P419L384-D423 HydrophobicContact CD2-CB 3.88Å; P419-D423 PolarHBondContact O-N 3.38Å
424A93.1Very high91.7Very high11 Ų1134.3 Ų34.39%0.09119%0.191CC..  trans-74.1136.5-171.700000112.8L384 L420 I428 L429L384-A424 HydrophobicContact CD1-CB 4.36Å; L384-A424 HydrophobicContact CD2-CB 4.06Å; L420-A424 WeakPolarHBondContact O-CB 3.08Å; L420-A424 PolarHBondContact O-N 3.27Å; L420-A424 VanDerWaalsContact O-N 3.08Å; A424-I428 HydrophobicContact CB-CB 4.09Å; A424-I428 HydrophobicContact CB-CG2 3.87Å; A424-L429 HydrophobicContact CB-CB 4.37Å
425P93.1Very high92.1Very high33 Ų3334.1 Ų34.121%0.21419%0.19CC..  trans-66.6159.7170.331-37.7000111.1Y387 M388 N427 I428 L429Y387-P425 HydrophobicContact CE1-CG 3.88Å; M388-P425 HydrophobicContact CE-CB 4.36Å; M388-P425 HydrophobicContact CE-CG 4.27Å; M388-P425 HydrophobicContact SD-CB 4.25Å; M388-P425 HydrophobicContact SD-CG 3.58Å; M388-P425 VanDerWaalsContact SD-CG 3.58Å; P425-N427 VanDerWaalsContact CG-OD1 3.3Å; P425-N427 WeakPolarHBondContact CG-OD1 3.49Å; P425-N427 PolarHBondContact O-N 3.34Å; P425-I428 HydrophobicContact CG-CB 4.42Å; P425-I428 HydrophobicContact CG-CG1 4.25Å; P425-I428 PolarHBondContact O-N 3.41Å; P425-L429 WeakPolarHBondContact O-CB 3.29Å; P425-L429 PolarHBondContact O-N 3.38Å
426S88.9Confident92.4Very high92 Ų9231 Ų3164%0.64317%0.169SC*.Hα-helixtrans-49.4-37.4-174.160.40000114.7I428 K430S426-I428 VanDerWaalsContact C-N 3.31Å; S426-I428 PolarHBondContact O-N 2.95Å; S426-K430 PolarHBondContact O-N 2.65Å
427N90.1Very high92.7Very high46 Ų4631 Ų3125%0.24617%0.168CC..Hα-helixtrans-70.6-21.7-179.168.4-6.3000114.3Y387 K401 P425 K430 H431Y387-N427 PolarHBondContact OH-ND2 3.02Å; K401-N427 WeakPolarHBondContact CE-ND2 3.49Å; K401-N427 PolarHBondContact NZ-ND2 3.39Å; P425-N427 VanDerWaalsContact CG-OD1 3.3Å; P425-N427 WeakPolarHBondContact CG-OD1 3.49Å; P425-N427 PolarHBondContact O-N 3.34Å; N427-K430 WeakPolarHBondContact O-CE 3.37Å; N427-H431 PolarHBondContact O-CD2 3.14Å
428I94.9Very high92.7Very high0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-98.9-40.5172-62.8-57.6000110.4Y387 K401 L404 K405 L408 A424 P425 S426 K430 H431 V432Y387-I428 HydrophobicContact CD1-CG1 4.17Å; Y387-I428 HydrophobicContact CE1-CD1 4.49Å; Y387-I428 HydrophobicContact CE1-CG1 3.9Å; K401-I428 HydrophobicContact CG-CD1 4.13Å; L404-I428 HydrophobicContact CB-CD1 4.23Å; L404-I428 HydrophobicContact CD1-CD1 4.42Å; K405-I428 HydrophobicContact CD-CD1 4.42Å; K405-I428 HydrophobicContact CG-CD1 3.77Å; L408-I428 HydrophobicContact CD1-CG2 3.83Å; A424-I428 HydrophobicContact CB-CB 4.09Å; A424-I428 HydrophobicContact CB-CG2 3.87Å; P425-I428 HydrophobicContact CG-CB 4.42Å; P425-I428 HydrophobicContact CG-CG1 4.25Å; P425-I428 PolarHBondContact O-N 3.41Å; S426-I428 VanDerWaalsContact C-N 3.31Å; S426-I428 PolarHBondContact O-N 2.95Å; I428-K430 PolarHBondContact O-N 3.37Å; I428-K430 VanDerWaalsContact O-N 3.17Å; I428-H431 WeakPolarHBondContact O-CA 3.48Å; I428-H431 WeakPolarHBondContact O-CB 3.46Å; I428-H431 PolarHBondContact O-N 3.16Å; I428-V432 HydrophobicContact CG2-CG2 4.46Å; I428-V432 PolarHBondContact O-N 3.33Å
429L93.7Very high92.9Very high19 Ų1935.8 Ų35.810%0.09919%0.19CC..Hα-helixtrans-52.5-40.9-177.8-173.562.6000112.3L421 A424 P425 H431 V432 V433 I462L421-L429 HydrophobicContact CD1-CD1 4.03Å; A424-L429 HydrophobicContact CB-CB 4.37Å; P425-L429 WeakPolarHBondContact O-CB 3.29Å; P425-L429 PolarHBondContact O-N 3.38Å; L429-H431 PolarHBondContact O-N 2.86Å; L429-H431 VanDerWaalsContact O-N 3.16Å; L429-V432 WeakPolarHBondContact O-CA 2.93Å; L429-V432 WeakPolarHBondContact O-CB 3.45Å; L429-V432 PolarHBondContact O-N 2.89Å; L429-V433 HydrophobicContact CD1-CG2 4.25Å; L429-V433 HydrophobicContact CG-CG2 4.18Å; L429-V433 WeakPolarHBondContact O-CG2 3.34Å; L429-V433 PolarHBondContact O-N 2.94Å; L429-I462 HydrophobicContact CD1-CD1 4.44Å; L429-I462 HydrophobicContact CD2-CD1 3.98Å; L429-I462 HydrophobicContact CD2-CG1 4.21Å; L429-I462 HydrophobicContact CD2-CG2 4.23Å; L429-I462 HydrophobicContact CG-CD1 4.33Å
430K93.4Very high93Very high88 Ų8833.3 Ų33.338%0.38317%0.174SC..Hα-helixtrans-55.5-33.5175.370.5-179.5-177.5178.20114.3S426 N427 I428 C434 L470S426-K430 PolarHBondContact O-N 2.65Å; N427-K430 WeakPolarHBondContact O-CE 3.37Å; I428-K430 PolarHBondContact O-N 3.37Å; I428-K430 VanDerWaalsContact O-N 3.17Å; K430-C434 WeakPolarHBondContact O-CB 3.34Å; K430-C434 PolarHBondContact O-N 3.41Å; K430-C434 VanDerWaalsContact O-N 3.07Å; K430-L470 HydrophobicContact CB-CD1 4.34Å
431H94.6Very high92.9Very high26 Ų2636 Ų3612%0.1219%0.191CC..Hα-helixtrans-76.1-34.8177.7-64.5-69.9000111.5K405 L408 N427 I428 L429 Q435K405-H431 WeakPolarHBondContact CE-NE2 3.49Å; L408-H431 HydrophobicContact CB-CB 4.15Å; L408-H431 HydrophobicContact CD1-CB 4.26Å; N427-H431 PolarHBondContact O-CD2 3.14Å; I428-H431 WeakPolarHBondContact O-CA 3.48Å; I428-H431 WeakPolarHBondContact O-CB 3.46Å; I428-H431 PolarHBondContact O-N 3.16Å; L429-H431 PolarHBondContact O-N 2.86Å; L429-H431 VanDerWaalsContact O-N 3.16Å; H431-Q435 PolarHBondContact O-N 3.32Å
432V95.1Very high92.9Very high0 Ų043.9 Ų43.90%023%0.228CC..Hα-helixtrans-65.1-53.2174.8-179.90000110.2L408 L417 L420 L421 I428 L429 C434 Q435 F436L408-V432 HydrophobicContact CD1-CG2 3.9Å; L408-V432 HydrophobicContact CD2-CG2 4.25Å; L417-V432 HydrophobicContact CB-CG1 4.37Å; L420-V432 HydrophobicContact CB-CG1 4.33Å; L420-V432 HydrophobicContact CB-CG2 3.75Å; L421-V432 HydrophobicContact CB-CG1 4.41Å; I428-V432 HydrophobicContact CG2-CG2 4.46Å; I428-V432 PolarHBondContact O-N 3.33Å; L429-V432 WeakPolarHBondContact O-CA 2.93Å; L429-V432 WeakPolarHBondContact O-CB 3.45Å; L429-V432 PolarHBondContact O-N 2.89Å; V432-C434 VanDerWaalsContact C-N 3.31Å; V432-C434 PolarHBondContact O-N 3.37Å; V432-Q435 PolarHBondContact O-N 3.21Å; V432-F436 HydrophobicContact CG1-CD2 3.95Å; V432-F436 HydrophobicContact CG1-CE2 3.64Å; V432-F436 WeakPolarHBondContact O-CD2 3.47Å; V432-F436 PolarHBondContact O-N 3.39Å
433V94.5Very high92.8Very high0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-61.4-39.3179.6-178.20000111.2L421 L429 Q435 F436 S437 I462 L470 I474 I477L421-V433 HydrophobicContact CD1-CG2 4.01Å; L429-V433 HydrophobicContact CD1-CG2 4.25Å; L429-V433 HydrophobicContact CG-CG2 4.18Å; L429-V433 WeakPolarHBondContact O-CG2 3.34Å; L429-V433 PolarHBondContact O-N 2.94Å; V433-Q435 VanDerWaalsContact C-N 3.26Å; V433-Q435 PolarHBondContact O-N 3.01Å; V433-F436 PolarHBondContact O-N 2.88Å; V433-S437 PolarHBondContact O-N 2.85Å; V433-I462 HydrophobicContact CG2-CD1 3.84Å; V433-L470 HydrophobicContact CB-CD1 3.95Å; V433-L470 HydrophobicContact CG1-CD1 4.11Å; V433-L470 HydrophobicContact CG2-CD1 3.95Å; V433-I474 HydrophobicContact CG1-CG1 4.14Å; V433-I477 HydrophobicContact CG1-CD1 3.58Å
434C94.6Very high92.7Very high11 Ų1140.7 Ų40.77%0.07422%0.223CC..Hα-helixtrans-57.2-36.1173.7-176.10000113.3K430 V432 S437 K438 Y473K430-C434 WeakPolarHBondContact O-CB 3.34Å; K430-C434 PolarHBondContact O-N 3.41Å; K430-C434 VanDerWaalsContact O-N 3.07Å; V432-C434 VanDerWaalsContact C-N 3.31Å; V432-C434 PolarHBondContact O-N 3.37Å; C434-S437 PolarHBondContact O-OG 3.2Å; C434-K438 WeakPolarHBondContact O-CG 3.44Å; C434-K438 PolarHBondContact O-N 3.06Å; C434-Y473 HydrophobicContact CB-CD1 4.37Å; C434-Y473 HydrophobicContact CB-CD2 3.65Å; C434-Y473 HydrophobicContact CB-CE1 4.27Å; C434-Y473 HydrophobicContact CB-CE2 3.51Å; C434-Y473 HydrophobicContact CB-CG 4.11Å; C434-Y473 VanDerWaalsContact SG-CZ 3.54Å
435Q93.9Very high92.6Very high8 Ų848.3 Ų48.34%0.03726%0.255CS..Hα-helixtrans-75.6-40.7177.2-66.9-52-31.700112.2L408 Q409 C411 L417 H431 V432 V433 S437 K438 V439L408-Q435 WeakPolarHBondContact O-CG 3.44Å; L408-Q435 PolarHBondContact O-NE2 2.99Å; Q409-Q435 VanDerWaalsContact CA-NE2 3.34Å; Q409-Q435 PolarHBondContact O-NE2 3.46Å; C411-Q435 WeakPolarHBondContact O-CG 3.29Å; C411-Q435 PolarHBondContact O-OE1 2.95Å; L417-Q435 HydrophobicContact CD1-CB 3.59Å; L417-Q435 HydrophobicContact CD1-CG 4.44Å; H431-Q435 PolarHBondContact O-N 3.32Å; V432-Q435 PolarHBondContact O-N 3.21Å; V433-Q435 VanDerWaalsContact C-N 3.26Å; V433-Q435 PolarHBondContact O-N 3.01Å; Q435-S437 VanDerWaalsContact C-N 3.26Å; Q435-S437 PolarHBondContact O-N 3.46Å; Q435-K438 PolarHBondContact O-N 3.25Å; Q435-V439 WeakPolarHBondContact O-CG2 3.33Å; Q435-V439 PolarHBondContact O-N 3.34Å
436F94.1Very high92.4Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-56.8-42.7172.3-78.2-73000111.3V414 L417 E418 L421 V432 V433 K438 V439 L440 F450 I477V414-F436 HydrophobicContact CG1-CD1 4.07Å; V414-F436 HydrophobicContact CG1-CE1 3.45Å; V414-F436 VanDerWaalsContact CG1-CE1 3.45Å; V414-F436 HydrophobicContact CG1-CZ 4.38Å; L417-F436 HydrophobicContact CB-CD2 4.5Å; L417-F436 HydrophobicContact CB-CE1 4.49Å; L417-F436 HydrophobicContact CB-CE2 3.66Å; L417-F436 HydrophobicContact CB-CZ 3.65Å; E418-F436 HydrophobicContact CB-CZ 4.4Å; L421-F436 HydrophobicContact CB-CE2 4.48Å; V432-F436 HydrophobicContact CG1-CD2 3.95Å; V432-F436 HydrophobicContact CG1-CE2 3.64Å; V432-F436 WeakPolarHBondContact O-CD2 3.47Å; V432-F436 PolarHBondContact O-N 3.39Å; V433-F436 PolarHBondContact O-N 2.88Å; F436-K438 PolarHBondContact O-N 3Å; F436-V439 PolarHBondContact O-N 2.81Å; F436-L440 HydrophobicContact CB-CD1 4.1Å; F436-L440 HydrophobicContact CD1-CD1 4.34Å; F436-L440 HydrophobicContact CD1-CG 4.47Å; F436-L440 WeakPolarHBondContact O-CB 3.32Å; F436-L440 WeakPolarHBondContact O-CG 3.44Å; F436-L440 PolarHBondContact O-N 3.15Å; F436-F450 AromaticContact CD1-CD2 3.6Å; F436-F450 HydrophobicContact CD1-CD2 3.6Å; F436-F450 AromaticContact CD1-CE2 3.4Å; F436-F450 HydrophobicContact CD1-CE2 3.4Å; F436-F450 VanDerWaalsContact CD1-CE2 3.4Å; F436-F450 HydrophobicContact CD1-CZ 4.19Å; F436-F450 HydrophobicContact CD2-CE2 4.2Å; F436-F450 AromaticContact CE1-CD2 3.36Å; F436-F450 HydrophobicContact CE1-CD2 3.36Å; F436-F450 AromaticContact CE1-CE2 3.33Å; F436-F450 HydrophobicContact CE1-CE2 3.33Å; F436-F450 HydrophobicContact CE1-CZ 4.47Å; F436-F450 HydrophobicContact CE2-CE2 4.16Å; F436-F450 HydrophobicContact CG-CD2 4.48Å; F436-F450 AromaticContact CG-CE2 3.85Å; F436-F450 HydrophobicContact CG-CE2 3.85Å; F436-F450 HydrophobicContact CG-CZ 4.33Å; F436-F450 HydrophobicContact CZ-CD2 4.1Å; F436-F450 AromaticContact CZ-CE2 3.76Å; F436-F450 HydrophobicContact CZ-CE2 3.76Å; F436-I477 HydrophobicContact CB-CD1 3.76Å; F436-I477 HydrophobicContact CB-CG1 4.37Å
437S94.1Very high92.5Very high15 Ų1546.6 Ų46.611%0.10523%0.231CC..Hα-helixtrans-64.1-21.9178.179.30000113.8V433 C434 Q435 P441V433-S437 PolarHBondContact O-N 2.85Å; C434-S437 PolarHBondContact O-OG 3.2Å; Q435-S437 VanDerWaalsContact C-N 3.26Å; Q435-S437 PolarHBondContact O-N 3.46Å; S437-P441 WeakPolarHBondContact O-CD 3.46Å; S437-P441 VanDerWaalsContact O-CG 3.29Å; S437-P441 WeakPolarHBondContact O-CG 3.46Å
438K92Very high92.5Very high114 Ų11453.8 Ų53.850%0.49626%0.255SS..Hα-helixtrans-89.7-34.8176.5-71.1173.5-176.7174.50113.2C434 Q435 F436 H442C434-K438 WeakPolarHBondContact O-CG 3.44Å; C434-K438 PolarHBondContact O-N 3.06Å; Q435-K438 PolarHBondContact O-N 3.25Å; F436-K438 PolarHBondContact O-N 3Å; K438-H442 PolarHBondContact O-CD2 3.35Å
439V91.1Very high92.2Very high21 Ų2157.5 Ų57.513%0.12727%0.274CS..Hα-helixtrans-87.1-42.8-174.2-178.80000112.1T412 V414 Q435 F436 P441 H442 D443T412-V439 HydrophobicContact CG2-CG2 4.22Å; V414-V439 HydrophobicContact CG2-CB 4.09Å; V414-V439 HydrophobicContact CG2-CG1 3.46Å; V414-V439 VanDerWaalsContact CG2-CG1 3.46Å; Q435-V439 WeakPolarHBondContact O-CG2 3.33Å; Q435-V439 PolarHBondContact O-N 3.34Å; F436-V439 PolarHBondContact O-N 2.81Å; V439-P441 VanDerWaalsContact C-CD 3.4Å; V439-H442 PolarHBondContact O-N 2.97Å; V439-H442 VanDerWaalsContact O-N 3.1Å; V439-D443 HydrophobicContact CG1-CB 4.44Å; V439-D443 PolarHBondContact O-N 2.81Å
440L92.9Very high92.1Very high0 Ų056.8 Ų56.80%027%0.27CS..G310 helixtrans-58.4-36.1-175.5-66.7174.8000115F436 H442 A446 R447 F450 I477 C480 F481F436-L440 HydrophobicContact CB-CD1 4.1Å; F436-L440 HydrophobicContact CD1-CD1 4.34Å; F436-L440 HydrophobicContact CD1-CG 4.47Å; F436-L440 WeakPolarHBondContact O-CB 3.32Å; F436-L440 WeakPolarHBondContact O-CG 3.44Å; F436-L440 PolarHBondContact O-N 3.15Å; L440-H442 PolarHBondContact O-N 3.38Å; L440-H442 VanDerWaalsContact O-N 3.16Å; L440-A446 HydrophobicContact CD2-CB 4.14Å; L440-R447 HydrophobicContact CB-CG 4.03Å; L440-R447 HydrophobicContact CD2-CG 3.95Å; L440-R447 VanDerWaalsContact O-CD 3.25Å; L440-R447 WeakPolarHBondContact O-CD 3.3Å; L440-R447 VanDerWaalsContact O-CG 3.27Å; L440-R447 WeakPolarHBondContact O-CG 3.37Å; L440-R447 PolarHBondContact O-NE 3.01Å; L440-F450 HydrophobicContact CD1-CD1 3.8Å; L440-F450 HydrophobicContact CD1-CE1 3.93Å; L440-F450 HydrophobicContact CD1-CG 4.15Å; L440-F450 HydrophobicContact CD1-CZ 4.4Å; L440-F450 HydrophobicContact CD2-CB 3.98Å; L440-F450 HydrophobicContact CD2-CD1 4.49Å; L440-F450 HydrophobicContact CD2-CG 4.19Å; L440-I477 HydrophobicContact CD1-CG1 4.26Å; L440-I477 HydrophobicContact CD1-CG2 3.88Å; L440-C480 HydrophobicContact CB-CB 4.42Å; L440-F481 HydrophobicContact CD1-CE2 4.35Å; L440-F481 HydrophobicContact CD1-CZ 4.4Å
441P92.8Very high91.9Very high57 Ų5753.8 Ų53.837%0.3726%0.259SS..G310 helixtrans-58.9-28176.8-24.933.2000113.8S437 V439S437-P441 WeakPolarHBondContact O-CD 3.46Å; S437-P441 VanDerWaalsContact O-CG 3.29Å; S437-P441 WeakPolarHBondContact O-CG 3.46Å; V439-P441 VanDerWaalsContact C-CD 3.4Å
442H91.2Very high91.7Very high169 Ų16957.3 Ų57.378%0.78228%0.283SS*.G310 helixtrans-109.1-6.2-170-56.2-56.6000113.8K438 V439 L440K438-H442 PolarHBondContact O-CD2 3.35Å; V439-H442 PolarHBondContact O-N 2.97Å; V439-H442 VanDerWaalsContact O-N 3.1Å; L440-H442 PolarHBondContact O-N 3.38Å; L440-H442 VanDerWaalsContact O-N 3.16Å
443D89.8Confident91.4Very high63 Ų6359.3 Ų59.334%0.33730%0.297SS..  trans-130.3103.6-177.1-172.1-19.5000111.9V439 K445 A446 R447V439-D443 HydrophobicContact CG1-CB 4.44Å; V439-D443 PolarHBondContact O-N 2.81Å; D443-K445 VanDerWaalsContact C-N 3.33Å; D443-K445 PolarHBondContact O-N 3.27Å; D443-K445 WeakPolarHBondContact OD1-CA 3.41Å; D443-K445 WeakPolarHBondContact OD1-CB 3.38Å; D443-K445 PolarHBondContact OD1-N 3.05Å; D443-A446 HydrophobicContact CB-CB 3.71Å; D443-A446 VanDerWaalsContact CG-CB 3.45Å; D443-A446 PolarHBondContact O-N 3.17Å; D443-A446 PolarHBondContact OD1-N 3.47Å; D443-R447 PolarHBondContact O-N 3.29Å
444S89.5Confident91.2Very high81 Ų8160.3 Ų60.357%0.56631%0.307SS*.Hα-helixtrans-67.7-29.8178.258.90000113.6R448S444-R448 PolarHBondContact O-N 3.48Å; S444-R448 VanDerWaalsContact O-N 3.15Å
445K89.3Confident91Very high172 Ų17259.8 Ų59.875%0.74830%0.304SS*.Hα-helixtrans-71.9-43176.3-67.3-179.4180176.90110D443 R447 R448 L449D443-K445 VanDerWaalsContact C-N 3.33Å; D443-K445 PolarHBondContact O-N 3.27Å; D443-K445 WeakPolarHBondContact OD1-CA 3.41Å; D443-K445 WeakPolarHBondContact OD1-CB 3.38Å; D443-K445 PolarHBondContact OD1-N 3.05Å; K445-R447 VanDerWaalsContact C-N 3.33Å; K445-R447 PolarHBondContact O-N 3.41Å; K445-R448 PolarHBondContact O-N 3.19Å; K445-L449 PolarHBondContact O-N 3.3Å
446A89.2Confident91Very high6 Ų659.4 Ų59.45%0.0530%0.302CS..Hα-helixtrans-60.1-42.3174.200000111.7V414 L440 D443 R448 L449 F450V414-A446 HydrophobicContact CG1-CB 4.43Å; V414-A446 HydrophobicContact CG2-CB 4.09Å; L440-A446 HydrophobicContact CD2-CB 4.14Å; D443-A446 HydrophobicContact CB-CB 3.71Å; D443-A446 VanDerWaalsContact CG-CB 3.45Å; D443-A446 PolarHBondContact O-N 3.17Å; D443-A446 PolarHBondContact OD1-N 3.47Å; A446-R448 PolarHBondContact O-N 2.91Å; A446-L449 PolarHBondContact O-N 2.82Å; A446-F450 VanDerWaalsContact O-CB 3.22Å; A446-F450 WeakPolarHBondContact O-CB 3.49Å; A446-F450 PolarHBondContact O-N 3.41Å
447R91.8Very high90.8Very high83 Ų8364.5 Ų64.531%0.31332%0.324SS..Hα-helixtrans-57.8-48174.3-77.6-172.1-70171.7-6.8112.9L440 D443 K445 L449 F450 V451 C480 F481L440-R447 HydrophobicContact CB-CG 4.03Å; L440-R447 HydrophobicContact CD2-CG 3.95Å; L440-R447 VanDerWaalsContact O-CD 3.25Å; L440-R447 WeakPolarHBondContact O-CD 3.3Å; L440-R447 VanDerWaalsContact O-CG 3.27Å; L440-R447 WeakPolarHBondContact O-CG 3.37Å; L440-R447 PolarHBondContact O-NE 3.01Å; D443-R447 PolarHBondContact O-N 3.29Å; K445-R447 VanDerWaalsContact C-N 3.33Å; K445-R447 PolarHBondContact O-N 3.41Å; R447-L449 VanDerWaalsContact C-N 3.35Å; R447-F450 PolarHBondContact O-N 3.48Å; R447-V451 WeakPolarHBondContact O-CG2 3.28Å; R447-V451 PolarHBondContact O-N 3.23Å; R447-C480 WeakPolarHBondContact CD-O 3.42Å; R447-C480 PolarHBondContact NH1-O 2.93Å; R447-F481 HydrophobicContact CB-CE1 3.81Å; R447-F481 HydrophobicContact CB-CZ 4.16Å; R447-F481 HydrophobicContact CG-CE1 4.04Å; R447-F481 HydrophobicContact CG-CZ 4.03Å
448R89.7Confident90.8Very high196 Ų19666.5 Ų66.574%0.7433%0.331SS*.Hα-helixtrans-60-48.1177.2-176.8178.41781800.1110.8S444 K445 A446 F450 V451 T452S444-R448 PolarHBondContact O-N 3.48Å; S444-R448 VanDerWaalsContact O-N 3.15Å; K445-R448 PolarHBondContact O-N 3.19Å; A446-R448 PolarHBondContact O-N 2.91Å; R448-F450 PolarHBondContact O-N 3.36Å; R448-V451 PolarHBondContact O-N 2.92Å; R448-T452 HydrophobicContact CG-CG2 4.46Å; R448-T452 WeakPolarHBondContact O-CG2 3.33Å; R448-T452 PolarHBondContact O-N 2.81Å; R448-T452 PolarHBondContact O-OG1 3.21Å; R448-T452 VanDerWaalsContact O-OG1 3.06Å
449L88.7Confident90.9Very high79 Ų7961.1 Ų61.141%0.41431%0.308SS..Hα-helixtrans-58.7-50.1-179.8-172.567.1000110.8K445 A446 R447 V451 T452 S453K445-L449 PolarHBondContact O-N 3.3Å; A446-L449 PolarHBondContact O-N 2.82Å; R447-L449 VanDerWaalsContact C-N 3.35Å; L449-V451 PolarHBondContact O-N 3.3Å; L449-T452 WeakPolarHBondContact CA-OG1 3.36Å; L449-T452 PolarHBondContact O-N 3Å; L449-T452 PolarHBondContact O-OG1 3.14Å; L449-S453 VanDerWaalsContact O-CB 3.32Å; L449-S453 WeakPolarHBondContact O-CB 3.45Å; L449-S453 PolarHBondContact O-N 3.2Å; L449-S453 PolarHBondContact O-OG 3.04Å
450F91.2Very high90.9Very high3 Ų361.7 Ų61.71%0.01331%0.309CS..Hα-helixtrans-57.7-32.5-178.8-170.6-108.6000114L421 F436 L440 A446 R447 R448 S453 G455 L456 V459 I477 F481L421-F450 HydrophobicContact CD2-CE2 3.94Å; L421-F450 HydrophobicContact CD2-CZ 4.18Å; F436-F450 AromaticContact CD1-CD2 3.6Å; F436-F450 HydrophobicContact CD1-CD2 3.6Å; F436-F450 AromaticContact CD1-CE2 3.4Å; F436-F450 HydrophobicContact CD1-CE2 3.4Å; F436-F450 VanDerWaalsContact CD1-CE2 3.4Å; F436-F450 HydrophobicContact CD1-CZ 4.19Å; F436-F450 HydrophobicContact CD2-CE2 4.2Å; F436-F450 AromaticContact CE1-CD2 3.36Å; F436-F450 HydrophobicContact CE1-CD2 3.36Å; F436-F450 AromaticContact CE1-CE2 3.33Å; F436-F450 HydrophobicContact CE1-CE2 3.33Å; F436-F450 HydrophobicContact CE1-CZ 4.47Å; F436-F450 HydrophobicContact CE2-CE2 4.16Å; F436-F450 HydrophobicContact CG-CD2 4.48Å; F436-F450 AromaticContact CG-CE2 3.85Å; F436-F450 HydrophobicContact CG-CE2 3.85Å; F436-F450 HydrophobicContact CG-CZ 4.33Å; F436-F450 HydrophobicContact CZ-CD2 4.1Å; F436-F450 AromaticContact CZ-CE2 3.76Å; F436-F450 HydrophobicContact CZ-CE2 3.76Å; L440-F450 HydrophobicContact CD1-CD1 3.8Å; L440-F450 HydrophobicContact CD1-CE1 3.93Å; L440-F450 HydrophobicContact CD1-CG 4.15Å; L440-F450 HydrophobicContact CD1-CZ 4.4Å; L440-F450 HydrophobicContact CD2-CB 3.98Å; L440-F450 HydrophobicContact CD2-CD1 4.49Å; L440-F450 HydrophobicContact CD2-CG 4.19Å; A446-F450 VanDerWaalsContact O-CB 3.22Å; A446-F450 WeakPolarHBondContact O-CB 3.49Å; A446-F450 PolarHBondContact O-N 3.41Å; R447-F450 PolarHBondContact O-N 3.48Å; R448-F450 PolarHBondContact O-N 3.36Å; F450-S453 PolarHBondContact O-OG 2.95Å; F450-G455 VanDerWaalsContact CZ-C 3.42Å; F450-G455 WeakPolarHBondContact CZ-O 3.23Å; F450-G455 VanDerWaalsContact O-CA 3.29Å; F450-G455 WeakPolarHBondContact O-CA 3.45Å; F450-G455 PolarHBondContact O-N 2.92Å; F450-L456 HydrophobicContact CD1-CB 4.08Å; F450-L456 HydrophobicContact CE1-CB 4.05Å; F450-L456 HydrophobicContact CE1-CD1 4.45Å; F450-L456 PolarHBondContact O-N 3.08Å; F450-L456 VanDerWaalsContact O-N 3.12Å; F450-V459 HydrophobicContact CE1-CG2 4.25Å; F450-V459 HydrophobicContact CZ-CG2 3.67Å; F450-I477 HydrophobicContact CE1-CG2 3.96Å; F450-F481 HydrophobicContact CD1-CE2 4.28Å; F450-F481 AromaticContact CD1-CZ 3.96Å; F450-F481 HydrophobicContact CD1-CZ 3.96Å
451V90.6Very high90.9Very high25 Ų2566 Ų6615%0.15233%0.329CS..Hα-helixtrans-75.9-49.9172.7174.80000110.4R447 R448 L449 S453 G454 L456 F481 Y489R447-V451 WeakPolarHBondContact O-CG2 3.28Å; R447-V451 PolarHBondContact O-N 3.23Å; R448-V451 PolarHBondContact O-N 2.92Å; L449-V451 PolarHBondContact O-N 3.3Å; V451-S453 VanDerWaalsContact C-N 3.25Å; V451-S453 PolarHBondContact O-N 3.39Å; V451-G454 PolarHBondContact O-N 3.43Å; V451-G454 VanDerWaalsContact O-N 3.15Å; V451-L456 HydrophobicContact CG2-CB 4.19Å; V451-L456 HydrophobicContact CG2-CD2 3.93Å; V451-F481 HydrophobicContact CG2-CD1 3.82Å; V451-F481 HydrophobicContact CG2-CE1 3.34Å; V451-F481 HydrophobicContact CG2-CZ 3.96Å; V451-Y489 HydrophobicContact CG1-CE2 3.65Å
452T89.2Confident90.8Very high101 Ų10164.4 Ų64.462%0.6232%0.317SS*.Hα-helixtrans-66.1-26.6-175.352.40000114.1R448 L449 G454R448-T452 HydrophobicContact CG-CG2 4.46Å; R448-T452 WeakPolarHBondContact O-CG2 3.33Å; R448-T452 PolarHBondContact O-N 2.81Å; R448-T452 PolarHBondContact O-OG1 3.21Å; R448-T452 VanDerWaalsContact O-OG1 3.06Å; L449-T452 WeakPolarHBondContact CA-OG1 3.36Å; L449-T452 PolarHBondContact O-N 3Å; L449-T452 PolarHBondContact O-OG1 3.14Å; T452-G454 VanDerWaalsContact C-N 3.34Å
453S88.9Confident90.6Very high42 Ų4263.9 Ų63.929%0.29432%0.32SS..THydrogen-bonded Turntrans-87.4-3.6179.164.40000113.3E418 Y422 L449 F450 V451E418-S453 VanDerWaalsContact CD-OG 3.3Å; E418-S453 WeakPolarHBondContact OE1-CB 3.41Å; E418-S453 PolarHBondContact OE1-OG 3.41Å; E418-S453 PolarHBondContact OE2-OG 3.43Å; Y422-S453 PolarHBondContact OH-O 3.07Å; Y422-S453 VanDerWaalsContact OH-O 3.12Å; L449-S453 VanDerWaalsContact O-CB 3.32Å; L449-S453 WeakPolarHBondContact O-CB 3.45Å; L449-S453 PolarHBondContact O-N 3.2Å; L449-S453 PolarHBondContact O-OG 3.04Å; F450-S453 PolarHBondContact O-OG 2.95Å; V451-S453 VanDerWaalsContact C-N 3.25Å; V451-S453 PolarHBondContact O-N 3.39Å
454G89.8Confident90.5Very high21 Ų2161.2 Ų61.222%0.21631%0.307CS..THydrogen-bonded Turntrans88.41.9-179.600000114.9Y422 V451 T452 L456 K457 K458Y422-G454 VanDerWaalsContact OH-C 3.3Å; V451-G454 PolarHBondContact O-N 3.43Å; V451-G454 VanDerWaalsContact O-N 3.15Å; T452-G454 VanDerWaalsContact C-N 3.34Å; G454-L456 PolarHBondContact O-N 3.35Å; G454-K457 WeakPolarHBondContact O-CB 3.33Å; G454-K457 PolarHBondContact O-N 3.48Å; G454-K458 PolarHBondContact O-N 3.12Å
455G92.1Very high90.4Very high0 Ų064.8 Ų64.80%032%0.315CS..Hα-helixtrans-58.6-42.5179.800000113.7Y422 F450 K457 K458 V459Y422-G455 PolarHBondContact OH-N 3.29Å; F450-G455 VanDerWaalsContact CZ-C 3.42Å; F450-G455 WeakPolarHBondContact CZ-O 3.23Å; F450-G455 VanDerWaalsContact O-CA 3.29Å; F450-G455 WeakPolarHBondContact O-CA 3.45Å; F450-G455 PolarHBondContact O-N 2.92Å; G455-K457 PolarHBondContact O-N 3.4Å; G455-K458 PolarHBondContact O-N 3.36Å; G455-V459 WeakPolarHBondContact O-CG2 3.24Å; G455-V459 PolarHBondContact O-N 3.35Å
456L92.1Very high90.4Very high0 Ų062.9 Ų62.90%032%0.32CS..Hα-helixtrans-63.4-42.6177.4-178.460.7000111.9F450 V451 G454 K458 V459 Q460 I477 F481 I485 Y489F450-L456 HydrophobicContact CD1-CB 4.08Å; F450-L456 HydrophobicContact CE1-CB 4.05Å; F450-L456 HydrophobicContact CE1-CD1 4.45Å; F450-L456 PolarHBondContact O-N 3.08Å; F450-L456 VanDerWaalsContact O-N 3.12Å; V451-L456 HydrophobicContact CG2-CB 4.19Å; V451-L456 HydrophobicContact CG2-CD2 3.93Å; G454-L456 PolarHBondContact O-N 3.35Å; L456-K458 VanDerWaalsContact C-N 3.33Å; L456-K458 PolarHBondContact O-N 3.29Å; L456-V459 PolarHBondContact O-N 3.41Å; L456-Q460 WeakPolarHBondContact O-CG 3.47Å; L456-Q460 PolarHBondContact O-N 3.31Å; L456-Q460 VanDerWaalsContact O-N 3.11Å; L456-I477 HydrophobicContact CD1-CG2 4.34Å; L456-F481 HydrophobicContact CD1-CD2 3.93Å; L456-F481 HydrophobicContact CD1-CE2 3.97Å; L456-F481 HydrophobicContact CD2-CD1 4.37Å; L456-F481 HydrophobicContact CD2-CD2 4.06Å; L456-F481 HydrophobicContact CD2-CE2 4.38Å; L456-F481 HydrophobicContact CD2-CG 4.06Å; L456-I485 HydrophobicContact CD2-CG2 3.83Å; L456-Y489 HydrophobicContact CD2-CD2 3.86Å; L456-Y489 HydrophobicContact CD2-CE2 4.48Å; L456-Y489 HydrophobicContact CG-CD2 4.34Å
457K91.8Very high90.2Very high107 Ų10766 Ų6647%0.46535%0.352SS..Hα-helixtrans-58-48.8174.3-175.7-175.7173.4-174.70110.4G454 G455 V459 Q460 E461 Y489G454-K457 WeakPolarHBondContact O-CB 3.33Å; G454-K457 PolarHBondContact O-N 3.48Å; G455-K457 PolarHBondContact O-N 3.4Å; K457-V459 VanDerWaalsContact C-N 3.27Å; K457-V459 PolarHBondContact O-N 3.39Å; K457-Q460 PolarHBondContact O-N 3.3Å; K457-E461 WeakPolarHBondContact CE-OE1 3.3Å; K457-E461 PolarHBondContact O-N 2.98Å; K457-Y489 HydrophobicContact CB-CD1 3.75Å; K457-Y489 HydrophobicContact CB-CE1 4.48Å; K457-Y489 HydrophobicContact CB-CG 4.34Å; K457-Y489 HydrophobicContact CG-CD1 4.24Å
458K93Very high90.2Very high57 Ų5763.4 Ų63.425%0.24835%0.347CS..Hα-helixtrans-60.3-39.5179.7-172.556.4177.6173.20111.9L421 Y422 G454 G455 L456 Q460 E461 I462L421-K458 HydrophobicContact CD2-CB 4.05Å; L421-K458 HydrophobicContact CD2-CG 4.21Å; L421-K458 HydrophobicContact CG-CB 4.34Å; L421-K458 HydrophobicContact CG-CG 3.94Å; Y422-K458 HydrophobicContact CD1-CB 4.36Å; Y422-K458 HydrophobicContact CD1-CD 3.94Å; Y422-K458 HydrophobicContact CD1-CG 3.83Å; Y422-K458 HydrophobicContact CE1-CB 3.81Å; Y422-K458 HydrophobicContact CE1-CD 4.14Å; Y422-K458 HydrophobicContact CE1-CG 3.81Å; G454-K458 PolarHBondContact O-N 3.12Å; G455-K458 PolarHBondContact O-N 3.36Å; L456-K458 VanDerWaalsContact C-N 3.33Å; L456-K458 PolarHBondContact O-N 3.29Å; K458-Q460 VanDerWaalsContact C-N 3.33Å; K458-Q460 PolarHBondContact O-N 3.5Å; K458-E461 WeakPolarHBondContact CD-OE2 3.46Å; K458-E461 IonicContact NZ-OE2 2.86Å; K458-E461 WeakPolarHBondContact O-CB 3.26Å; K458-E461 PolarHBondContact O-N 3.39Å; K458-E461 VanDerWaalsContact O-N 3.14Å; K458-I462 WeakPolarHBondContact O-CG1 3.42Å; K458-I462 PolarHBondContact O-N 2.94Å
459V93.5Very high90.2Very high1 Ų156.3 Ų56.31%0.00633%0.33CS..Hα-helixtrans-61.2-38.3174.7164.60000112.5L421 F450 G455 L456 K457 E461 I462 I474 I477L421-V459 HydrophobicContact CD1-CG2 4.12Å; L421-V459 HydrophobicContact CD2-CG2 4.32Å; F450-V459 HydrophobicContact CE1-CG2 4.25Å; F450-V459 HydrophobicContact CZ-CG2 3.67Å; G455-V459 WeakPolarHBondContact O-CG2 3.24Å; G455-V459 PolarHBondContact O-N 3.35Å; L456-V459 PolarHBondContact O-N 3.41Å; K457-V459 VanDerWaalsContact C-N 3.27Å; K457-V459 PolarHBondContact O-N 3.39Å; V459-E461 PolarHBondContact O-N 3.47Å; V459-I462 HydrophobicContact CG2-CD1 4.37Å; V459-I462 PolarHBondContact O-N 3.35Å; V459-I474 HydrophobicContact CG1-CB 4.37Å; V459-I474 HydrophobicContact CG1-CG1 4.13Å; V459-I474 HydrophobicContact CG1-CG2 3.88Å; V459-I477 HydrophobicContact CG1-CG2 4.37Å; V459-I477 HydrophobicContact CG2-CD1 4.3Å
460Q92.6Very high90.4Very high32 Ų3253.6 Ų53.615%0.1532%0.316CS..Hα-helixtrans-68.7-24.3176.1-58.2-50-71.600113.2L456 K457 K458 I462 N478 Y489 S490L456-Q460 WeakPolarHBondContact O-CG 3.47Å; L456-Q460 PolarHBondContact O-N 3.31Å; L456-Q460 VanDerWaalsContact O-N 3.11Å; K457-Q460 PolarHBondContact O-N 3.3Å; K458-Q460 VanDerWaalsContact C-N 3.33Å; K458-Q460 PolarHBondContact O-N 3.5Å; Q460-I462 VanDerWaalsContact C-N 3.31Å; Q460-N478 PolarHBondContact NE2-OD1 2.86Å; Q460-Y489 WeakPolarHBondContact CB-O 3.26Å; Q460-S490 PolarHBondContact OE1-OG 2.9Å
461E91.3Very high90.5Very high92 Ų9255.9 Ų55.943%0.4333%0.327SS..THydrogen-bonded Turntrans-81.8-8.2177.2-64.9170.1-179.600113K457 K458 V459 D463K457-E461 WeakPolarHBondContact CE-OE1 3.3Å; K457-E461 PolarHBondContact O-N 2.98Å; K458-E461 WeakPolarHBondContact CD-OE2 3.46Å; K458-E461 IonicContact NZ-OE2 2.86Å; K458-E461 WeakPolarHBondContact O-CB 3.26Å; K458-E461 PolarHBondContact O-N 3.39Å; K458-E461 VanDerWaalsContact O-N 3.14Å; V459-E461 PolarHBondContact O-N 3.47Å; E461-D463 PolarHBondContact O-N 2.97Å
462I91.1Very high90.6Very high23 Ų2360.3 Ų60.312%0.11835%0.346CS..  trans-75.3115.2179.8-62.2173.5000109.1L421 L429 V433 K458 V459 Q460 A464 L470 I474L421-I462 HydrophobicContact CD1-CD1 4.2Å; L429-I462 HydrophobicContact CD1-CD1 4.44Å; L429-I462 HydrophobicContact CD2-CD1 3.98Å; L429-I462 HydrophobicContact CD2-CG1 4.21Å; L429-I462 HydrophobicContact CD2-CG2 4.23Å; L429-I462 HydrophobicContact CG-CD1 4.33Å; V433-I462 HydrophobicContact CG2-CD1 3.84Å; K458-I462 WeakPolarHBondContact O-CG1 3.42Å; K458-I462 PolarHBondContact O-N 2.94Å; V459-I462 HydrophobicContact CG2-CD1 4.37Å; V459-I462 PolarHBondContact O-N 3.35Å; Q460-I462 VanDerWaalsContact C-N 3.31Å; I462-A464 PolarHBondContact O-N 2.91Å; I462-L470 HydrophobicContact CG2-CD2 3.81Å; I462-L470 HydrophobicContact CG2-CG 4.32Å; I462-I474 HydrophobicContact CB-CD1 3.97Å; I462-I474 HydrophobicContact CG2-CD1 3.88Å
463D86.9Confident90.9Very high157 Ų15758.7 Ų58.784%0.8433%0.329SS*.  trans-75.5116.6168.7-169.418.7000109.7E461E461-D463 PolarHBondContact O-N 2.97Å
464A88.1Confident91.2Very high8 Ų857.1 Ų57.17%0.06632%0.317CS..  trans-125.9130.7-178.300000110.1I462 L470 Q471 I474I462-A464 PolarHBondContact O-N 2.91Å; A464-L470 HydrophobicContact CB-CB 4.28Å; A464-L470 HydrophobicContact CB-CD2 3.97Å; A464-L470 HydrophobicContact CB-CG 3.89Å; A464-Q471 HydrophobicContact CB-CB 4.09Å; A464-I474 HydrophobicContact CB-CD1 3.86Å
465E88.6Confident91.3Very high156 Ų15659.9 Ų59.973%0.72933%0.327SS*.  trans-58.4134.1178.4-69.1177.9178.800110.5G467 S468E465-G467 PolarHBondContact O-N 3.09Å; E465-S468 WeakPolarHBondContact O-CB 3.45Å; E465-S468 PolarHBondContact O-N 3.05Å; E465-S468 PolarHBondContact O-OG 2.92Å
466P87.3Confident91.5Very high131 Ų13161.8 Ų61.885%0.85134%0.343SS*.THydrogen-bonded Turntrans-55.8128.4178-26.434.4000111.9S468P466-S468 VanDerWaalsContact C-N 3.29Å; P466-S468 PolarHBondContact O-N 3.28Å
467G86.1Confident91.6Very high71 Ų7161.8 Ų61.873%0.73234%0.343SS*.THydrogen-bonded Turntrans80.13.1-177.500000114.9E465E465-G467 PolarHBondContact O-N 3.09Å
468S91.5Very high91.7Very high30 Ų3058.2 Ų58.221%0.2133%0.329CS..  trans-73.5153.3171.470.30000111.9E465 P466 L470 Q471 E472E465-S468 WeakPolarHBondContact O-CB 3.45Å; E465-S468 PolarHBondContact O-N 3.05Å; E465-S468 PolarHBondContact O-OG 2.92Å; P466-S468 VanDerWaalsContact C-N 3.29Å; P466-S468 PolarHBondContact O-N 3.28Å; S468-L470 PolarHBondContact O-N 3.34Å; S468-Q471 WeakPolarHBondContact O-CB 3.48Å; S468-Q471 PolarHBondContact O-N 3.18Å; S468-Q471 PolarHBondContact OG-N 2.92Å; S468-E472 PolarHBondContact O-N 3.05Å; S468-E472 VanDerWaalsContact O-N 3.15Å
469A90.4Very high91.8Very high46 Ų4660.5 Ų60.538%0.3835%0.352SS..Hα-helixtrans-57.8-30.7173.300000112.6E472 Y473A469-E472 PolarHBondContact O-N 3.36Å; A469-Y473 HydrophobicContact CB-CE2 4.12Å; A469-Y473 WeakPolarHBondContact O-CD2 3.43Å; A469-Y473 WeakPolarHBondContact O-CE2 3.45Å; A469-Y473 PolarHBondContact O-N 2.95Å
470L92.2Very high91.8Very high22 Ų2261.2 Ų61.212%0.11536%0.357CS..Hα-helixtrans-63.8-44.7175.8178.860.5000110.9K430 V433 I462 A464 S468 E472 Y473 I474K430-L470 HydrophobicContact CB-CD1 4.34Å; V433-L470 HydrophobicContact CB-CD1 3.95Å; V433-L470 HydrophobicContact CG1-CD1 4.11Å; V433-L470 HydrophobicContact CG2-CD1 3.95Å; I462-L470 HydrophobicContact CG2-CD2 3.81Å; I462-L470 HydrophobicContact CG2-CG 4.32Å; A464-L470 HydrophobicContact CB-CB 4.28Å; A464-L470 HydrophobicContact CB-CD2 3.97Å; A464-L470 HydrophobicContact CB-CG 3.89Å; S468-L470 PolarHBondContact O-N 3.34Å; L470-E472 VanDerWaalsContact C-N 3.33Å; L470-E472 PolarHBondContact O-N 3.12Å; L470-Y473 PolarHBondContact O-N 2.65Å; L470-I474 HydrophobicContact CD1-CD1 4.43Å; L470-I474 HydrophobicContact CG-CD1 4.17Å; L470-I474 VanDerWaalsContact O-CG1 3.32Å; L470-I474 WeakPolarHBondContact O-CG1 3.49Å; L470-I474 PolarHBondContact O-N 2.89Å
471Q92.5Very high91.8Very high51 Ų5160.9 Ų60.924%0.23836%0.355CS..Hα-helixtrans-62-40.7175.7-174.762.651.600111.8A464 S468 Y473 I474 N475A464-Q471 HydrophobicContact CB-CB 4.09Å; S468-Q471 WeakPolarHBondContact O-CB 3.48Å; S468-Q471 PolarHBondContact O-N 3.18Å; S468-Q471 PolarHBondContact OG-N 2.92Å; Q471-Y473 VanDerWaalsContact C-N 3.32Å; Q471-Y473 PolarHBondContact O-N 3.41Å; Q471-I474 PolarHBondContact O-N 3.32Å; Q471-N475 PolarHBondContact NE2-OD1 3.48Å; Q471-N475 WeakPolarHBondContact O-CB 3.1Å; Q471-N475 PolarHBondContact O-N 3.22Å; Q471-N475 PolarHBondContact O-ND2 3.44Å; Q471-N475 PolarHBondContact O-OD1 3.32Å
472E93.9Very high91.9Very high118 Ų11859.8 Ų59.855%0.55136%0.356SS*.Hα-helixtrans-60.1-42.2175.6-66.8178.9172.300111.9S468 A469 L470 N475 A476S468-E472 PolarHBondContact O-N 3.05Å; S468-E472 VanDerWaalsContact O-N 3.15Å; A469-E472 PolarHBondContact O-N 3.36Å; L470-E472 VanDerWaalsContact C-N 3.33Å; L470-E472 PolarHBondContact O-N 3.12Å; E472-N475 PolarHBondContact O-N 3.37Å; E472-A476 WeakPolarHBondContact O-CB 3.41Å; E472-A476 PolarHBondContact O-N 2.97Å
473Y95.3Very high91.8Very high68 Ų6864.2 Ų64.227%0.26738%0.376SS..Hα-helixtrans-66.9-40.4176.2-56.3-36.2000112.4C434 A469 L470 Q471 N475 A476 I477C434-Y473 HydrophobicContact CB-CD1 4.37Å; C434-Y473 HydrophobicContact CB-CD2 3.65Å; C434-Y473 HydrophobicContact CB-CE1 4.27Å; C434-Y473 HydrophobicContact CB-CE2 3.51Å; C434-Y473 HydrophobicContact CB-CG 4.11Å; C434-Y473 VanDerWaalsContact SG-CZ 3.54Å; A469-Y473 HydrophobicContact CB-CE2 4.12Å; A469-Y473 WeakPolarHBondContact O-CD2 3.43Å; A469-Y473 WeakPolarHBondContact O-CE2 3.45Å; A469-Y473 PolarHBondContact O-N 2.95Å; L470-Y473 PolarHBondContact O-N 2.65Å; Q471-Y473 VanDerWaalsContact C-N 3.32Å; Q471-Y473 PolarHBondContact O-N 3.41Å; Y473-N475 VanDerWaalsContact C-N 3.33Å; Y473-N475 PolarHBondContact O-N 3.24Å; Y473-A476 PolarHBondContact O-N 2.77Å; Y473-I477 WeakPolarHBondContact O-CG1 3.46Å; Y473-I477 PolarHBondContact O-N 2.65Å
474I94.2Very high91.9Very high8 Ų863 Ų634%0.04137%0.365CS..Hα-helixtrans-59.9-46.2174.4-67.6169.9000110.1V433 V459 I462 A464 L470 Q471 A476 I477 N478V433-I474 HydrophobicContact CG1-CG1 4.14Å; V459-I474 HydrophobicContact CG1-CB 4.37Å; V459-I474 HydrophobicContact CG1-CG1 4.13Å; V459-I474 HydrophobicContact CG1-CG2 3.88Å; I462-I474 HydrophobicContact CB-CD1 3.97Å; I462-I474 HydrophobicContact CG2-CD1 3.88Å; A464-I474 HydrophobicContact CB-CD1 3.86Å; L470-I474 HydrophobicContact CD1-CD1 4.43Å; L470-I474 HydrophobicContact CG-CD1 4.17Å; L470-I474 VanDerWaalsContact O-CG1 3.32Å; L470-I474 WeakPolarHBondContact O-CG1 3.49Å; L470-I474 PolarHBondContact O-N 2.89Å; Q471-I474 PolarHBondContact O-N 3.32Å; I474-A476 VanDerWaalsContact C-N 3.33Å; I474-A476 PolarHBondContact O-N 3.09Å; I474-I477 PolarHBondContact O-N 3.04Å; I474-N478 VanDerWaalsContact O-CG 3.28Å; I474-N478 PolarHBondContact O-N 3.15Å
475N93.7Very high91.9Very high79 Ų7965.7 Ų65.742%0.42238%0.378SS..Hα-helixtrans-60.3-43.8177.7-67.8-14.3000111.5Q471 E472 Y473 I477 N478 S479Q471-N475 PolarHBondContact NE2-OD1 3.48Å; Q471-N475 WeakPolarHBondContact O-CB 3.1Å; Q471-N475 PolarHBondContact O-N 3.22Å; Q471-N475 PolarHBondContact O-ND2 3.44Å; Q471-N475 PolarHBondContact O-OD1 3.32Å; E472-N475 PolarHBondContact O-N 3.37Å; Y473-N475 VanDerWaalsContact C-N 3.33Å; Y473-N475 PolarHBondContact O-N 3.24Å; N475-I477 VanDerWaalsContact C-N 3.35Å; N475-I477 PolarHBondContact O-N 3.43Å; N475-N478 PolarHBondContact O-N 3.33Å; N475-S479 PolarHBondContact O-N 2.89Å; N475-S479 PolarHBondContact O-OG 3.42Å; N475-S479 VanDerWaalsContact O-OG 3.11Å
476A94.6Very high92Very high41 Ų4159.1 Ų59.134%0.33935%0.348SS..Hα-helixtrans-63-38.4176.400000112.7E472 Y473 I474 C480E472-A476 WeakPolarHBondContact O-CB 3.41Å; E472-A476 PolarHBondContact O-N 2.97Å; Y473-A476 PolarHBondContact O-N 2.77Å; I474-A476 VanDerWaalsContact C-N 3.33Å; I474-A476 PolarHBondContact O-N 3.09Å; A476-C480 PolarHBondContact O-SG 3.17Å
477I94.7Very high92Very high0 Ų058.8 Ų58.80%033%0.33CS..Hα-helixtrans-64.1-45.7172.5-68.5170.7000110.3V433 F436 L440 F450 L456 V459 Y473 I474 N475 S479 C480 F481V433-I477 HydrophobicContact CG1-CD1 3.58Å; F436-I477 HydrophobicContact CB-CD1 3.76Å; F436-I477 HydrophobicContact CB-CG1 4.37Å; L440-I477 HydrophobicContact CD1-CG1 4.26Å; L440-I477 HydrophobicContact CD1-CG2 3.88Å; F450-I477 HydrophobicContact CE1-CG2 3.96Å; L456-I477 HydrophobicContact CD1-CG2 4.34Å; V459-I477 HydrophobicContact CG1-CG2 4.37Å; V459-I477 HydrophobicContact CG2-CD1 4.3Å; Y473-I477 WeakPolarHBondContact O-CG1 3.46Å; Y473-I477 PolarHBondContact O-N 2.65Å; I474-I477 PolarHBondContact O-N 3.04Å; N475-I477 VanDerWaalsContact C-N 3.35Å; N475-I477 PolarHBondContact O-N 3.43Å; I477-S479 VanDerWaalsContact C-N 3.29Å; I477-S479 PolarHBondContact O-N 3.31Å; I477-C480 WeakPolarHBondContact O-CB 3.24Å; I477-C480 PolarHBondContact O-N 3.14Å; I477-F481 HydrophobicContact CG2-CE2 4.02Å; I477-F481 VanDerWaalsContact O-CD2 3.24Å; I477-F481 WeakPolarHBondContact O-CD2 3.32Å; I477-F481 WeakPolarHBondContact O-CE2 3.46Å
478N94.3Very high92.1Very high32 Ų3262.2 Ų62.217%0.17132%0.322CS..Hα-helixtrans-59.9-39.6-180-71.2-11.5000111.8Q460 I474 N475 C480 F481 V486Q460-N478 PolarHBondContact NE2-OD1 2.86Å; I474-N478 VanDerWaalsContact O-CG 3.28Å; I474-N478 PolarHBondContact O-N 3.15Å; N475-N478 PolarHBondContact O-N 3.33Å; N478-C480 PolarHBondContact O-N 2.84Å; N478-F481 PolarHBondContact O-N 3.01Å; N478-F481 VanDerWaalsContact O-N 3.09Å; N478-V486 HydrophobicContact CB-CG1 4.26Å; N478-V486 HydrophobicContact CB-CG2 4.29Å
479S94.4Very high92Very high105 Ų10563.8 Ų63.873%0.73432%0.324SS*.THydrogen-bonded Turntrans-63.7-11175.4-56.60000114.3N475 I477 F481N475-S479 PolarHBondContact O-N 2.89Å; N475-S479 PolarHBondContact O-OG 3.42Å; N475-S479 VanDerWaalsContact O-OG 3.11Å; I477-S479 VanDerWaalsContact C-N 3.29Å; I477-S479 PolarHBondContact O-N 3.31Å; S479-F481 VanDerWaalsContact C-N 3.3Å
480C93.6Very high91.9Very high16 Ų1663.4 Ų63.411%0.10832%0.318CS..THydrogen-bonded Turntrans-81-9.7175.3-61.80000113.6L440 R447 A476 I477 N478L440-C480 HydrophobicContact CB-CB 4.42Å; R447-C480 WeakPolarHBondContact CD-O 3.42Å; R447-C480 PolarHBondContact NH1-O 2.93Å; A476-C480 PolarHBondContact O-SG 3.17Å; I477-C480 WeakPolarHBondContact O-CB 3.24Å; I477-C480 PolarHBondContact O-N 3.14Å; N478-C480 PolarHBondContact O-N 2.84Å
481F93.4Very high91.6Very high24 Ų2466.6 Ų66.611%0.10534%0.34CS..SBendtrans-126.3150.8-174.3-57.3-80.2000111.6L440 R447 F450 V451 L456 I477 N478 S479 V486L440-F481 HydrophobicContact CD1-CE2 4.35Å; L440-F481 HydrophobicContact CD1-CZ 4.4Å; R447-F481 HydrophobicContact CB-CE1 3.81Å; R447-F481 HydrophobicContact CB-CZ 4.16Å; R447-F481 HydrophobicContact CG-CE1 4.04Å; R447-F481 HydrophobicContact CG-CZ 4.03Å; F450-F481 HydrophobicContact CD1-CE2 4.28Å; F450-F481 AromaticContact CD1-CZ 3.96Å; F450-F481 HydrophobicContact CD1-CZ 3.96Å; V451-F481 HydrophobicContact CG2-CD1 3.82Å; V451-F481 HydrophobicContact CG2-CE1 3.34Å; V451-F481 HydrophobicContact CG2-CZ 3.96Å; L456-F481 HydrophobicContact CD1-CD2 3.93Å; L456-F481 HydrophobicContact CD1-CE2 3.97Å; L456-F481 HydrophobicContact CD2-CD1 4.37Å; L456-F481 HydrophobicContact CD2-CD2 4.06Å; L456-F481 HydrophobicContact CD2-CE2 4.38Å; L456-F481 HydrophobicContact CD2-CG 4.06Å; I477-F481 HydrophobicContact CG2-CE2 4.02Å; I477-F481 VanDerWaalsContact O-CD2 3.24Å; I477-F481 WeakPolarHBondContact O-CD2 3.32Å; I477-F481 WeakPolarHBondContact O-CE2 3.46Å; N478-F481 PolarHBondContact O-N 3.01Å; N478-F481 VanDerWaalsContact O-N 3.09Å; S479-F481 VanDerWaalsContact C-N 3.3Å; F481-V486 HydrophobicContact CB-CG2 3.9Å
482P92.4Very high91.1Very high70 Ų7065.5 Ų65.546%0.45534%0.343SS..  trans-56.1146.2169.1-22.332.1000112.1E484 I485 V486P482-E484 WeakPolarHBondContact CB-OE2 3.39Å; P482-E484 PolarHBondContact O-N 3.33Å; P482-I485 HydrophobicContact CB-CG1 4.23Å; P482-I485 HydrophobicContact CG-CD1 4.03Å; P482-I485 HydrophobicContact CG-CG1 4.27Å; P482-I485 WeakPolarHBondContact O-CB 3.38Å; P482-I485 PolarHBondContact O-N 3.3Å; P482-V486 PolarHBondContact O-N 3.11Å; P482-V486 VanDerWaalsContact O-N 3.11Å
483E89.4Confident90.7Very high115 Ų11562.6 Ų62.654%0.53733%0.327SS..Hα-helixtrans-59.4-34.6-176.4-167.8-178174.600112.1I485 V486 R487E483-I485 VanDerWaalsContact C-N 3.32Å; E483-I485 PolarHBondContact O-N 3.45Å; E483-V486 PolarHBondContact O-N 3.4Å; E483-R487 HydrophobicContact CG-CG 4.41Å; E483-R487 WeakPolarHBondContact O-CB 3.27Å; E483-R487 VanDerWaalsContact O-CG 3.28Å; E483-R487 WeakPolarHBondContact O-CG 3.47Å; E483-R487 PolarHBondContact O-N 2.93Å; E483-R487 IonicContact OE1-CZ 3.64Å; E483-R487 IonicContact OE1-NE 3.95Å; E483-R487 PolarHBondContact OE1-NE 2.9Å; E483-R487 VanDerWaalsContact OE1-NE 3.13Å; E483-R487 IonicContact OE1-NH1 3.02Å; E483-R487 IonicContact OE1-NH2 3.13Å; E483-R487 PolarHBondContact OE1-NH2 3.25Å
484E88.3Confident89.9Confident133 Ų13363 Ų6362%0.62134%0.34SS*.Hα-helixtrans-64.4-38.2177.2-55.482.8-178.200111.8P482 Y488P482-E484 WeakPolarHBondContact CB-OE2 3.39Å; P482-E484 PolarHBondContact O-N 3.33Å; E484-Y488 VanDerWaalsContact O-CB 3.32Å; E484-Y488 WeakPolarHBondContact O-CB 3.3Å; E484-Y488 PolarHBondContact O-N 2.86Å
485I89.3Confident89.4Confident63 Ų6368.7 Ų68.732%0.32337%0.366SS..Hα-helixtrans-69.1-44.8177.6-59.8-168.9000109.7L456 P482 E483 Y488 Y489L456-I485 HydrophobicContact CD2-CG2 3.83Å; P482-I485 HydrophobicContact CB-CG1 4.23Å; P482-I485 HydrophobicContact CG-CD1 4.03Å; P482-I485 HydrophobicContact CG-CG1 4.27Å; P482-I485 WeakPolarHBondContact O-CB 3.38Å; P482-I485 PolarHBondContact O-N 3.3Å; E483-I485 VanDerWaalsContact C-N 3.32Å; E483-I485 PolarHBondContact O-N 3.45Å; I485-Y488 PolarHBondContact O-N 2.98Å; I485-Y489 HydrophobicContact CG2-CD2 4.09Å; I485-Y489 HydrophobicContact CG2-CE2 4.01Å; I485-Y489 VanDerWaalsContact O-CD2 3.24Å; I485-Y489 WeakPolarHBondContact O-CD2 3.47Å; I485-Y489 PolarHBondContact O-N 3.19Å
486V90.7Very high88.9Confident18 Ų1868.6 Ų68.611%0.10937%0.365CS..Hα-helixtrans-60.3-49.8177.8-179.90000110.2N478 F481 P482 E483 Y488 Y489 S490N478-V486 HydrophobicContact CB-CG1 4.26Å; N478-V486 HydrophobicContact CB-CG2 4.29Å; F481-V486 HydrophobicContact CB-CG2 3.9Å; P482-V486 PolarHBondContact O-N 3.11Å; P482-V486 VanDerWaalsContact O-N 3.11Å; E483-V486 PolarHBondContact O-N 3.4Å; V486-Y488 VanDerWaalsContact C-N 3.32Å; V486-Y488 PolarHBondContact O-N 3.39Å; V486-Y489 PolarHBondContact O-N 3.38Å; V486-Y489 VanDerWaalsContact O-N 3.14Å; V486-S490 PolarHBondContact O-N 3.48Å; V486-S490 VanDerWaalsContact O-N 3.09Å; V486-S490 PolarHBondContact O-OG 2.94Å
487R87.1Confident88.3Confident124 Ų12470.4 Ų70.447%0.46837%0.369SS..Hα-helixtrans-57.7-43.2177.6-75.5176.2176.3-175.8-3112.2E483 Y489 S490 Y493E483-R487 HydrophobicContact CG-CG 4.41Å; E483-R487 WeakPolarHBondContact O-CB 3.27Å; E483-R487 VanDerWaalsContact O-CG 3.28Å; E483-R487 WeakPolarHBondContact O-CG 3.47Å; E483-R487 PolarHBondContact O-N 2.93Å; E483-R487 IonicContact OE1-CZ 3.64Å; E483-R487 IonicContact OE1-NE 3.95Å; E483-R487 PolarHBondContact OE1-NE 2.9Å; E483-R487 VanDerWaalsContact OE1-NE 3.13Å; E483-R487 IonicContact OE1-NH1 3.02Å; E483-R487 IonicContact OE1-NH2 3.13Å; E483-R487 PolarHBondContact OE1-NH2 3.25Å; R487-Y489 PolarHBondContact O-N 3.04Å; R487-S490 PolarHBondContact O-N 3.33Å; R487-S490 VanDerWaalsContact O-N 3.09Å; R487-Y493 HydrophobicContact CB-CD2 4.1Å; R487-Y493 HydrophobicContact CB-CE2 3.91Å; R487-Y493 WeakPolarHBondContact O-CB 3.37Å; R487-Y493 WeakPolarHBondContact O-CD2 3.15Å
488Y88.6Confident87.7Confident143 Ų14375.2 Ų75.256%0.56139%0.394SS*.Hα-helixtrans-54.9-36.5178.7178.9-94.4000113E484 I485 V486 Y493E484-Y488 VanDerWaalsContact O-CB 3.32Å; E484-Y488 WeakPolarHBondContact O-CB 3.3Å; E484-Y488 PolarHBondContact O-N 2.86Å; I485-Y488 PolarHBondContact O-N 2.98Å; V486-Y488 VanDerWaalsContact C-N 3.32Å; V486-Y488 PolarHBondContact O-N 3.39Å; Y488-Y493 VanDerWaalsContact CA-CD1 3.5Å; Y488-Y493 HydrophobicContact CD2-CD1 4.36Å; Y488-Y493 AromaticContact CD2-CE1 3.93Å; Y488-Y493 HydrophobicContact CD2-CE1 3.93Å; Y488-Y493 HydrophobicContact CG-CE1 4.48Å
489Y89.9Confident87.2Confident63 Ų6380 Ų8025%0.24742%0.415CS..Hα-helixtrans-95.9-3.7-179.4-70.1-68.5000114.3V451 L456 K457 Q460 I485 V486 R487V451-Y489 HydrophobicContact CG1-CE2 3.65Å; L456-Y489 HydrophobicContact CD2-CD2 3.86Å; L456-Y489 HydrophobicContact CD2-CE2 4.48Å; L456-Y489 HydrophobicContact CG-CD2 4.34Å; K457-Y489 HydrophobicContact CB-CD1 3.75Å; K457-Y489 HydrophobicContact CB-CE1 4.48Å; K457-Y489 HydrophobicContact CB-CG 4.34Å; K457-Y489 HydrophobicContact CG-CD1 4.24Å; Q460-Y489 WeakPolarHBondContact CB-O 3.26Å; I485-Y489 HydrophobicContact CG2-CD2 4.09Å; I485-Y489 HydrophobicContact CG2-CE2 4.01Å; I485-Y489 VanDerWaalsContact O-CD2 3.24Å; I485-Y489 WeakPolarHBondContact O-CD2 3.47Å; I485-Y489 PolarHBondContact O-N 3.19Å; V486-Y489 PolarHBondContact O-N 3.38Å; V486-Y489 VanDerWaalsContact O-N 3.14Å; R487-Y489 PolarHBondContact O-N 3.04Å
490S87.7Confident86.7Confident38 Ų3882.8 Ų82.827%0.26641%0.41SS..SBendtrans-69.9140.7177.3-60.40000111.5Q460 V486 R487 G492 Y493Q460-S490 PolarHBondContact OE1-OG 2.9Å; V486-S490 PolarHBondContact O-N 3.48Å; V486-S490 VanDerWaalsContact O-N 3.09Å; V486-S490 PolarHBondContact O-OG 2.94Å; R487-S490 PolarHBondContact O-N 3.33Å; R487-S490 VanDerWaalsContact O-N 3.09Å; S490-G492 PolarHBondContact O-N 2.98Å; S490-Y493 VanDerWaalsContact O-CB 3.32Å; S490-Y493 WeakPolarHBondContact O-CB 3.25Å; S490-Y493 PolarHBondContact O-N 3.49Å
491P85.7Confident86.2Confident89 Ų8988 Ų8858%0.57844%0.436SS*.THydrogen-bonded Turntrans-52136.2173.9-27.133.1000112.4Y493P491-Y493 VanDerWaalsContact C-N 3.29Å; P491-Y493 PolarHBondContact O-N 3.22Å
492G81.9Confident85.8Confident29 Ų2994.6 Ų94.630%0.29947%0.467SS..THydrogen-bonded Turntrans79.6-2.117900000115.6S490 S494 E495 I496S490-G492 PolarHBondContact O-N 2.98Å; G492-S494 VanDerWaalsContact C-N 3.32Å; G492-S494 PolarHBondContact O-N 3.29Å; G492-E495 WeakPolarHBondContact O-CB 3.4Å; G492-E495 PolarHBondContact O-N 3.12Å; G492-E495 VanDerWaalsContact O-N 3.1Å; G492-I496 WeakPolarHBondContact O-CG1 3.46Å; G492-I496 PolarHBondContact O-N 3.26Å; G492-I496 VanDerWaalsContact O-N 3.11Å
493Y84.7Confident85.2Confident56 Ų5694.3 Ų94.322%0.2248%0.477CS..Hα-helixtrans-60.7-38.1-179.1-179.5-106.5000113.7R487 Y488 S490 P491 E495 I496 L497R487-Y493 HydrophobicContact CB-CD2 4.1Å; R487-Y493 HydrophobicContact CB-CE2 3.91Å; R487-Y493 WeakPolarHBondContact O-CB 3.37Å; R487-Y493 WeakPolarHBondContact O-CD2 3.15Å; Y488-Y493 VanDerWaalsContact CA-CD1 3.5Å; Y488-Y493 HydrophobicContact CD2-CD1 4.36Å; Y488-Y493 AromaticContact CD2-CE1 3.93Å; Y488-Y493 HydrophobicContact CD2-CE1 3.93Å; Y488-Y493 HydrophobicContact CG-CE1 4.48Å; S490-Y493 VanDerWaalsContact O-CB 3.32Å; S490-Y493 WeakPolarHBondContact O-CB 3.25Å; S490-Y493 PolarHBondContact O-N 3.49Å; P491-Y493 VanDerWaalsContact C-N 3.29Å; P491-Y493 PolarHBondContact O-N 3.22Å; Y493-E495 VanDerWaalsContact C-N 3.3Å; Y493-E495 PolarHBondContact O-N 3.33Å; Y493-I496 PolarHBondContact O-N 3.02Å; Y493-L497 HydrophobicContact CD1-CD1 3.69Å; Y493-L497 HydrophobicContact CD1-CG 4.47Å; Y493-L497 HydrophobicContact CE1-CD1 3.11Å; Y493-L497 HydrophobicContact CE1-CG 3.95Å; Y493-L497 WeakPolarHBondContact O-CB 3.44Å; Y493-L497 PolarHBondContact O-N 3.37Å
494S80.1Confident84.9Confident77 Ų7796.6 Ų96.654%0.53848%0.482SS..Hα-helixtrans-61.2-37.9175.251.20000112.5G492 L497 L498G492-S494 VanDerWaalsContact C-N 3.32Å; G492-S494 PolarHBondContact O-N 3.29Å; S494-L497 PolarHBondContact O-N 3.25Å; S494-L498 VanDerWaalsContact O-CG 3.27Å; S494-L498 WeakPolarHBondContact O-CG 3.44Å; S494-L498 PolarHBondContact O-N 3.02Å
495E83.1Confident84.6Confident127 Ų12798.3 Ų98.359%0.59349%0.49SS*.Hα-helixtrans-68.8-42.2178.2-64.2166.5-178.200110.7G492 Y493 L497 L498 Q499G492-E495 WeakPolarHBondContact O-CB 3.4Å; G492-E495 PolarHBondContact O-N 3.12Å; G492-E495 VanDerWaalsContact O-N 3.1Å; Y493-E495 VanDerWaalsContact C-N 3.3Å; Y493-E495 PolarHBondContact O-N 3.33Å; E495-L497 VanDerWaalsContact C-N 3.31Å; E495-L497 PolarHBondContact O-N 3.39Å; E495-L498 PolarHBondContact O-N 3.12Å; E495-Q499 WeakPolarHBondContact O-CG 3.32Å; E495-Q499 PolarHBondContact O-N 3.09Å
496I82.6Confident84.1Confident78 Ų78100 Ų10040%0.451%0.505SS..Hα-helixtrans-62.1-39.8174.5-63.7168.3000111G492 Y493 R500G492-I496 WeakPolarHBondContact O-CG1 3.46Å; G492-I496 PolarHBondContact O-N 3.26Å; G492-I496 VanDerWaalsContact O-N 3.11Å; Y493-I496 PolarHBondContact O-N 3.02Å; I496-R500 WeakPolarHBondContact O-CG 3.49Å; I496-R500 PolarHBondContact O-N 3.2Å; I496-R500 VanDerWaalsContact O-N 3.1Å
497L81.9Confident83.3Confident78 Ų78108.2 Ų108.241%0.40854%0.542SS..Hα-helixtrans-65.2-43.1175.7-99.5168.8000112.2Y493 S494 E495 R500 L501Y493-L497 HydrophobicContact CD1-CD1 3.69Å; Y493-L497 HydrophobicContact CD1-CG 4.47Å; Y493-L497 HydrophobicContact CE1-CD1 3.11Å; Y493-L497 HydrophobicContact CE1-CG 3.95Å; Y493-L497 WeakPolarHBondContact O-CB 3.44Å; Y493-L497 PolarHBondContact O-N 3.37Å; S494-L497 PolarHBondContact O-N 3.25Å; E495-L497 VanDerWaalsContact C-N 3.31Å; E495-L497 PolarHBondContact O-N 3.39Å; L497-R500 PolarHBondContact O-N 2.98Å; L497-L501 PolarHBondContact O-N 3.28Å
498L83.4Confident82.1Confident102 Ų102113.8 Ų113.853%0.53458%0.581SS.*Hα-helixtrans-63.7-42.2177.1-72.3170000111.4S494 E495 R500 L501 E502S494-L498 VanDerWaalsContact O-CG 3.27Å; S494-L498 WeakPolarHBondContact O-CG 3.44Å; S494-L498 PolarHBondContact O-N 3.02Å; E495-L498 PolarHBondContact O-N 3.12Å; L498-R500 VanDerWaalsContact C-N 3.28Å; L498-R500 PolarHBondContact O-N 2.8Å; L498-L501 WeakPolarHBondContact O-CB 3.26Å; L498-L501 PolarHBondContact O-N 3.3Å; L498-L501 VanDerWaalsContact O-N 3.12Å; L498-E502 WeakPolarHBondContact O-CG 3.43Å; L498-E502 PolarHBondContact O-N 3.23Å
499Q83.8Confident81.8Confident132 Ų132112.4 Ų112.462%0.61758%0.582SS**Hα-helixtrans-60.4-37.2173.2-73174.92.800112.6E495 G503E495-Q499 WeakPolarHBondContact O-CG 3.32Å; E495-Q499 PolarHBondContact O-N 3.09Å; Q499-G503 PolarHBondContact O-N 3.08Å
500R83.7Confident81.3Confident164 Ų164114.9 Ų114.962%0.61960%0.6SS**Hα-helixtrans-69.8-35.8174.2-74.9-177.3-171.5179.32.6112.7I496 L497 L498 G503 Y504I496-R500 WeakPolarHBondContact O-CG 3.49Å; I496-R500 PolarHBondContact O-N 3.2Å; I496-R500 VanDerWaalsContact O-N 3.1Å; L497-R500 PolarHBondContact O-N 2.98Å; L498-R500 VanDerWaalsContact C-N 3.28Å; L498-R500 PolarHBondContact O-N 2.8Å; R500-G503 PolarHBondContact O-N 3.15Å; R500-Y504 PolarHBondContact O-N 3.27Å
501L83.4Confident81Confident124 Ų124119.2 Ų119.265%0.64962%0.618SS**Hα-helixtrans-63.9-42.8175.7-169.990.7000110.9L497 L498 G503 Y504L497-L501 PolarHBondContact O-N 3.28Å; L498-L501 WeakPolarHBondContact O-CB 3.26Å; L498-L501 PolarHBondContact O-N 3.3Å; L498-L501 VanDerWaalsContact O-N 3.12Å; L501-G503 PolarHBondContact O-N 3.36Å; L501-Y504 WeakPolarHBondContact O-CB 3.47Å; L501-Y504 PolarHBondContact O-N 3.03Å
502E83.6Confident80.7Confident164 Ų164121 Ų12177%0.76662%0.621SS**Hα-helixtrans-60.3-30.1175.8-72174.8-179.900112.6L498L498-E502 WeakPolarHBondContact O-CG 3.43Å; L498-E502 PolarHBondContact O-N 3.23Å
503G79.7Confident80.6Confident64 Ų64126.8 Ų126.866%0.6664%0.641SS**THydrogen-bonded Turntrans-89.7-1.3175.300000115.5Q499 R500 L501Q499-G503 PolarHBondContact O-N 3.08Å; R500-G503 PolarHBondContact O-N 3.15Å; L501-G503 PolarHBondContact O-N 3.36Å
504Y83.9Confident80.4Confident162 Ų162131.5 Ų131.564%0.63567%0.669SS**  trans-82.6125.5-175.3-179.3-104.4000111.7R500 L501 P506R500-Y504 PolarHBondContact O-N 3.27Å; L501-Y504 WeakPolarHBondContact O-CB 3.47Å; L501-Y504 PolarHBondContact O-N 3.03Å; Y504-P506 HydrophobicContact CE1-CB 4.1Å
505Q82Confident80.4Confident170 Ų170135.4 Ų135.479%0.79468%0.678SS**  trans-106118.4170-67.6-173.8-8.400108.6E507Q505-E507 PolarHBondContact O-N 3.45Å
506P79.6Confident80.2Confident99 Ų99136 Ų13664%0.64369%0.685SS**  trans-65.3130.9173.425.3-29.8000109.4Y504Y504-P506 HydrophobicContact CE1-CB 4.1Å
507E72.3Confident80Confident190 Ų190140.8 Ų140.889%0.88871%0.709SS**  trans-74.7132.1168.7-68.7-176.8164.500108.8Q505Q505-E507 PolarHBondContact O-N 3.45Å
508D62.3Low79.8Confident241 Ų241146.5 Ų146.5100%1.28974%0.736SS**  trans-63.20-177.4-77.7-39.9000114.4

Retrieved 508 of 508 residues in 401.6 ms (Link to these results)

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