A0A087X2U6_POEFO Loading...

Peroxisomal biogenesis factor 11 beta

AlphaFold DB , UniProt , Accession A0A087X2U6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 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
1M61.4Low74.7Confident201 Ų201110.5 Ų110.599%0.9956%0.555SS**  0-36.80-74166.1113.200111.5S3 W4 V5M1-S3 PolarHBondContact O-N 3.35Å; M1-W4 PolarHBondContact O-N 3.48Å; M1-W4 VanDerWaalsContact O-N 3.16Å; M1-V5 PolarHBondContact O-N 3.16Å; M1-V5 VanDerWaalsContact O-N 3.11Å
2D73.1Confident75.1Confident119 Ų119106.1 Ų106.164%0.63653%0.531SS*.Hα-helixtrans-60.5-38.4-176.3-52.8-60.1000115.4W4 V5 R6D2-W4 VanDerWaalsContact C-N 3.28Å; D2-W4 PolarHBondContact O-N 3.32Å; D2-V5 PolarHBondContact O-N 3.4Å; D2-R6 WeakPolarHBondContact O-CB 3.41Å; D2-R6 VanDerWaalsContact O-CG 3.31Å; D2-R6 WeakPolarHBondContact O-CG 3.45Å; D2-R6 PolarHBondContact O-N 3.12Å
3S70.3Confident75.6Confident72 Ų7297.9 Ų97.950%0.50349%0.49SS..Hα-helixtrans-62.8-36.4177.6-47.80000112.4M1 F7M1-S3 PolarHBondContact O-N 3.35Å; S3-F7 VanDerWaalsContact O-CB 3.32Å; S3-F7 WeakPolarHBondContact O-CB 3.26Å; S3-F7 PolarHBondContact O-N 2.88Å
4W72.2Confident76.3Confident177 Ų17797.7 Ų97.767%0.6749%0.485SS*.Hα-helixtrans-76.1-37.6179.2-166.572.5000111.7M1 D2 F7 N8M1-W4 PolarHBondContact O-N 3.48Å; M1-W4 VanDerWaalsContact O-N 3.16Å; D2-W4 VanDerWaalsContact C-N 3.28Å; D2-W4 PolarHBondContact O-N 3.32Å; W4-F7 WeakPolarHBondContact O-CB 3.32Å; W4-F7 PolarHBondContact O-N 3.33Å; W4-N8 PolarHBondContact O-N 3.34Å
5V74.6Confident77.1Confident81 Ų8192.8 Ų92.849%0.49146%0.46SS..Hα-helixtrans-62.6-48.4172.2176.10000110.4M1 D2 F7 N8 T9M1-V5 PolarHBondContact O-N 3.16Å; M1-V5 VanDerWaalsContact O-N 3.11Å; D2-V5 PolarHBondContact O-N 3.4Å; V5-F7 VanDerWaalsContact C-N 3.31Å; V5-F7 PolarHBondContact O-N 3.12Å; V5-N8 PolarHBondContact O-N 3.16Å; V5-N8 VanDerWaalsContact O-N 3.13Å; V5-T9 PolarHBondContact O-N 3.37Å; V5-T9 PolarHBondContact O-OG1 3.19Å
6R75.1Confident77.8Confident192 Ų19289.8 Ų89.873%0.72544%0.442SS*.Hα-helixtrans-58.8-41.5175.4-72.9178.4-177-172.31.8112.5D2 N8 T9 Q10D2-R6 WeakPolarHBondContact O-CB 3.41Å; D2-R6 VanDerWaalsContact O-CG 3.31Å; D2-R6 WeakPolarHBondContact O-CG 3.45Å; D2-R6 PolarHBondContact O-N 3.12Å; R6-N8 VanDerWaalsContact C-N 3.34Å; R6-N8 PolarHBondContact O-N 2.97Å; R6-T9 PolarHBondContact O-N 3.13Å; R6-Q10 WeakPolarHBondContact O-CB 3.42Å; R6-Q10 PolarHBondContact O-N 3.28Å
7F75.9Confident78.4Confident19 Ų1988.5 Ų88.58%0.08344%0.44CS..Hα-helixtrans-59.4-45.2175.2175.7-93.9000111.8S3 W4 V5 Q10 G13 V17 I222 M225 L226S3-F7 VanDerWaalsContact O-CB 3.32Å; S3-F7 WeakPolarHBondContact O-CB 3.26Å; S3-F7 PolarHBondContact O-N 2.88Å; W4-F7 WeakPolarHBondContact O-CB 3.32Å; W4-F7 PolarHBondContact O-N 3.33Å; V5-F7 VanDerWaalsContact C-N 3.31Å; V5-F7 PolarHBondContact O-N 3.12Å; F7-Q10 PolarHBondContact O-N 3.49Å; F7-G13 WeakPolarHBondContact CZ-O 2.84Å; F7-V17 HydrophobicContact CE1-CG2 3.72Å; F7-V17 HydrophobicContact CZ-CG2 3.65Å; F7-I222 HydrophobicContact CE2-CG2 4.24Å; F7-I222 HydrophobicContact CZ-CG1 4.38Å; F7-I222 HydrophobicContact CZ-CG2 4.15Å; F7-M225 HydrophobicContact CD2-CB 4.32Å; F7-M225 HydrophobicContact CD2-CE 3.79Å; F7-M225 HydrophobicContact CD2-CG 3.95Å; F7-M225 HydrophobicContact CD2-SD 3.85Å; F7-M225 HydrophobicContact CE2-CB 4.39Å; F7-M225 HydrophobicContact CE2-CE 4.24Å; F7-M225 HydrophobicContact CE2-CG 4.3Å; F7-M225 HydrophobicContact CE2-SD 3.84Å; F7-L226 HydrophobicContact CB-CD2 4Å; F7-L226 HydrophobicContact CD2-CD2 4.16Å; F7-L226 HydrophobicContact CG-CD2 4.05Å
8N78.5Confident78.9Confident89 Ų8985.6 Ų85.648%0.47643%0.426SS..Hα-helixtrans-73.1-27.7179.6-166.636.5000112.9W4 V5 R6 Q10 K14W4-N8 PolarHBondContact O-N 3.34Å; V5-N8 PolarHBondContact O-N 3.16Å; V5-N8 VanDerWaalsContact O-N 3.13Å; R6-N8 VanDerWaalsContact C-N 3.34Å; R6-N8 PolarHBondContact O-N 2.97Å; N8-Q10 VanDerWaalsContact C-N 3.34Å; N8-K14 WeakPolarHBondContact O-CE 3.5Å
9T79.1Confident79.4Confident112 Ų11282.2 Ų82.269%0.68741%0.408SS*.Hα-helixtrans-71.3-32173.2-54.30000111.6V5 R6V5-T9 PolarHBondContact O-N 3.37Å; V5-T9 PolarHBondContact O-OG1 3.19Å; R6-T9 PolarHBondContact O-N 3.13Å
10Q80.8Confident80Confident98 Ų9878.9 Ų78.946%0.45839%0.394SS..SBendtrans-79.7124.4-176.9-167.9169.9-1.800112.1R6 F7 N8 Q12 G13 K14 M225R6-Q10 WeakPolarHBondContact O-CB 3.42Å; R6-Q10 PolarHBondContact O-N 3.28Å; F7-Q10 PolarHBondContact O-N 3.49Å; N8-Q10 VanDerWaalsContact C-N 3.34Å; Q10-Q12 HydrophobicContact CG-CB 4.19Å; Q10-Q12 PolarHBondContact O-N 2.98Å; Q10-G13 PolarHBondContact O-N 3.49Å; Q10-K14 PolarHBondContact O-N 3.22Å; Q10-M225 HydrophobicContact CB-CE 3.77Å; Q10-M225 HydrophobicContact CG-CE 3.82Å
11S80.2Confident80.5Confident55 Ų5576.7 Ų76.739%0.38539%0.388SS..Hα-helixtrans-54.5-37.4177-174.60000112.6G13 K14 E15S11-G13 VanDerWaalsContact C-N 3.29Å; S11-G13 PolarHBondContact O-N 3.5Å; S11-K14 PolarHBondContact O-N 3.4Å; S11-E15 PolarHBondContact O-N 3.41Å
12Q79.7Confident81.9Confident58 Ų5868.1 Ų68.127%0.27135%0.346SS..Hα-helixtrans-65.9-27.7177-62.9-145.30.300114.1Q10 R16 E66Q10-Q12 HydrophobicContact CG-CB 4.19Å; Q10-Q12 PolarHBondContact O-N 2.98Å; Q12-R16 VanDerWaalsContact O-CG 3.25Å; Q12-R16 WeakPolarHBondContact O-CG 3.44Å; Q12-R16 PolarHBondContact O-N 3.37Å; Q12-E66 PolarHBondContact NE2-OE2 2.88Å
13G81.6Confident82.7Confident0 Ų063.5 Ų63.50%032%0.32CS..Hα-helixtrans-66.8-47.4174.200000110.5F7 Q10 S11 E15 R16 V17F7-G13 WeakPolarHBondContact CZ-O 2.84Å; Q10-G13 PolarHBondContact O-N 3.49Å; S11-G13 VanDerWaalsContact C-N 3.29Å; S11-G13 PolarHBondContact O-N 3.5Å; G13-E15 PolarHBondContact O-N 3.29Å; G13-R16 PolarHBondContact O-N 3.31Å; G13-V17 PolarHBondContact O-N 2.9Å; G13-V17 VanDerWaalsContact O-N 3.12Å
14K85.7Confident83.6Confident95 Ų9561.7 Ų61.741%0.41331%0.309SS..Hα-helixtrans-60.3-43.4176.5-59.2-175-173.5-1800112.3N8 Q10 S11 R16 V17 L18 L59N8-K14 WeakPolarHBondContact O-CE 3.5Å; Q10-K14 PolarHBondContact O-N 3.22Å; S11-K14 PolarHBondContact O-N 3.4Å; K14-R16 VanDerWaalsContact C-N 3.3Å; K14-R16 PolarHBondContact O-N 2.98Å; K14-V17 PolarHBondContact O-N 3.12Å; K14-L18 WeakPolarHBondContact O-CG 3.4Å; K14-L18 PolarHBondContact O-N 3Å; K14-L59 HydrophobicContact CB-CD1 4.13Å
15E88.3Confident84.4Confident24 Ų2453.8 Ų53.811%0.11228%0.281CS..Hα-helixtrans-59.4-39.9176.9-172.3-81.5155.300112.4S11 G13 L18 R19 R56 L59 R60S11-E15 PolarHBondContact O-N 3.41Å; G13-E15 PolarHBondContact O-N 3.29Å; E15-L18 PolarHBondContact O-N 3.35Å; E15-R19 WeakPolarHBondContact O-CB 3.43Å; E15-R19 PolarHBondContact O-N 3.1Å; E15-R56 IonicContact OE1-CZ 3.87Å; E15-R56 IonicContact OE1-NE 2.88Å; E15-R56 PolarHBondContact OE1-NE 3.37Å; E15-R56 IonicContact OE1-NH2 2.67Å; E15-R56 PolarHBondContact OE1-NH2 2.91Å; E15-L59 HydrophobicContact CB-CB 4.49Å; E15-L59 HydrophobicContact CB-CD1 4.42Å; E15-R60 HydrophobicContact CG-CG 4.14Å; E15-R60 IonicContact OE1-CZ 3.8Å; E15-R60 VanDerWaalsContact OE1-CZ 3.25Å; E15-R60 IonicContact OE1-NE 2.95Å; E15-R60 PolarHBondContact OE1-NE 3.42Å; E15-R60 IonicContact OE1-NH2 3.25Å; E15-R60 PolarHBondContact OE1-NH2 3.23Å
16R87.6Confident85Confident44 Ų4451.1 Ų51.117%0.16626%0.263CS..Hα-helixtrans-68.4-39.2178.5-69169-170.2-154.48.2112.4Q12 G13 K14 R19 A20 S221 I222Q12-R16 VanDerWaalsContact O-CG 3.25Å; Q12-R16 WeakPolarHBondContact O-CG 3.44Å; Q12-R16 PolarHBondContact O-N 3.37Å; G13-R16 PolarHBondContact O-N 3.31Å; K14-R16 VanDerWaalsContact C-N 3.3Å; K14-R16 PolarHBondContact O-N 2.98Å; R16-R19 WeakPolarHBondContact O-CB 3.25Å; R16-R19 PolarHBondContact O-N 3.36Å; R16-A20 PolarHBondContact O-N 3.5Å; R16-S221 VanDerWaalsContact CD-OG 3.3Å; R16-S221 WeakPolarHBondContact CD-OG 3.42Å; R16-S221 VanDerWaalsContact CZ-OG 3.23Å; R16-S221 PolarHBondContact NE-OG 2.92Å; R16-S221 PolarHBondContact NH1-O 2.88Å; R16-S221 PolarHBondContact NH1-OG 3.28Å; R16-I222 HydrophobicContact CB-CG1 3.92Å
17V87.9Confident85.6Confident69 Ų6943.5 Ų43.542%0.41824%0.237SC..Hα-helixtrans-63.9-46.1174.2176.20000110.5F7 G13 K14 R19 A20 A21 I222F7-V17 HydrophobicContact CE1-CG2 3.72Å; F7-V17 HydrophobicContact CZ-CG2 3.65Å; G13-V17 PolarHBondContact O-N 2.9Å; G13-V17 VanDerWaalsContact O-N 3.12Å; K14-V17 PolarHBondContact O-N 3.12Å; V17-R19 VanDerWaalsContact C-N 3.26Å; V17-R19 PolarHBondContact O-N 3.01Å; V17-A20 WeakPolarHBondContact O-CB 3.4Å; V17-A20 PolarHBondContact O-N 3.21Å; V17-A21 PolarHBondContact O-N 3.37Å; V17-I222 HydrophobicContact CG2-CD1 4.32Å
18L88.2Confident86.1Confident35 Ų3547 Ų4718%0.18326%0.255CS..Hα-helixtrans-63.7-33.5176.7-68.3167.8000111.9K14 E15 A21 Q22 M52 T55 R56 L59K14-L18 WeakPolarHBondContact O-CG 3.4Å; K14-L18 PolarHBondContact O-N 3Å; E15-L18 PolarHBondContact O-N 3.35Å; L18-A21 PolarHBondContact O-N 3.08Å; L18-Q22 WeakPolarHBondContact O-CB 3.5Å; L18-Q22 PolarHBondContact O-N 3.05Å; L18-M52 HydrophobicContact CD2-SD 3.37Å; L18-M52 WeakPolarHBondContact CD2-SD 3.32Å; L18-T55 HydrophobicContact CD1-CG2 3.76Å; L18-R56 HydrophobicContact CB-CG 3.52Å; L18-R56 HydrophobicContact CD1-CG 4.39Å; L18-L59 HydrophobicContact CD1-CD1 3.42Å; L18-L59 VanDerWaalsContact CD1-CD1 3.42Å
19R89.1Confident86.4Confident22 Ų2243.6 Ų43.68%0.08324%0.242CC..Hα-helixtrans-62.2-48.5172.2-174.4178.3-178168.2-2.1111.2E15 R16 V17 A21 Q22 Y23 R56 D192 I195 S218E15-R19 WeakPolarHBondContact O-CB 3.43Å; E15-R19 PolarHBondContact O-N 3.1Å; R16-R19 WeakPolarHBondContact O-CB 3.25Å; R16-R19 PolarHBondContact O-N 3.36Å; V17-R19 VanDerWaalsContact C-N 3.26Å; V17-R19 PolarHBondContact O-N 3.01Å; R19-A21 VanDerWaalsContact C-N 3.34Å; R19-A21 PolarHBondContact O-N 3.25Å; R19-Q22 PolarHBondContact O-N 3.28Å; R19-Y23 HydrophobicContact CG-CD2 3.79Å; R19-Y23 HydrophobicContact CG-CE2 3.61Å; R19-Y23 VanDerWaalsContact O-CD2 3.23Å; R19-Y23 WeakPolarHBondContact O-CD2 3.47Å; R19-Y23 PolarHBondContact O-N 3.18Å; R19-R56 VanDerWaalsContact CD-NH2 3.28Å; R19-D192 IonicContact CZ-OD1 2.71Å; R19-D192 IonicContact CZ-OD2 3Å; R19-D192 IonicContact NH1-OD2 2.72Å; R19-D192 PolarHBondContact NH1-OD2 3.48Å; R19-D192 VanDerWaalsContact NH1-OD2 3.09Å; R19-D192 IonicContact NH2-OD1 2.63Å; R19-D192 PolarHBondContact NH2-OD1 3.45Å; R19-D192 IonicContact NH2-OD2 3.02Å; R19-D192 PolarHBondContact NH2-OD2 2.86Å; R19-I195 VanDerWaalsContact NH2-CD1 3.26Å; R19-S218 VanDerWaalsContact CD-OG 3.26Å; R19-S218 WeakPolarHBondContact CD-OG 3.37Å; R19-S218 WeakPolarHBondContact CG-OG 3.41Å
20A90.4Very high86.7Confident16 Ų1643.4 Ų43.413%0.13223%0.229CC..Hα-helixtrans-60.4-4517700000111.2R16 V17 Q22 Y23 A24 L215 I222R16-A20 PolarHBondContact O-N 3.5Å; V17-A20 WeakPolarHBondContact O-CB 3.4Å; V17-A20 PolarHBondContact O-N 3.21Å; A20-Q22 PolarHBondContact O-N 3.03Å; A20-Y23 PolarHBondContact O-N 3.3Å; A20-A24 WeakPolarHBondContact O-CB 3.47Å; A20-A24 PolarHBondContact O-N 3.2Å; A20-L215 WeakPolarHBondContact O-CD1 3.44Å; A20-I222 HydrophobicContact CB-CD1 4.32Å
21A90.1Very high86.9Confident33 Ų3342 Ų4227%0.27323%0.227SC..Hα-helixtrans-60.1-44.6176.100000112V17 L18 R19 Y23 A24 C25 M52V17-A21 PolarHBondContact O-N 3.37Å; L18-A21 PolarHBondContact O-N 3.08Å; R19-A21 VanDerWaalsContact C-N 3.34Å; R19-A21 PolarHBondContact O-N 3.25Å; A21-Y23 PolarHBondContact O-N 2.98Å; A21-A24 WeakPolarHBondContact O-CB 3.32Å; A21-A24 PolarHBondContact O-N 3.22Å; A21-C25 PolarHBondContact O-N 3.37Å; A21-C25 PolarHBondContact O-SG 2.77Å; A21-M52 HydrophobicContact CB-SD 4.49Å
22Q91.6Very high87.1Confident20 Ų2041 Ų419%0.09322%0.217CC..Hα-helixtrans-59.9-47.8177.6-171.6-170.3-17.600111.9L18 R19 A20 A24 C25 M26 E49 M52L18-Q22 WeakPolarHBondContact O-CB 3.5Å; L18-Q22 PolarHBondContact O-N 3.05Å; R19-Q22 PolarHBondContact O-N 3.28Å; A20-Q22 PolarHBondContact O-N 3.03Å; Q22-A24 VanDerWaalsContact C-N 3.33Å; Q22-C25 WeakPolarHBondContact O-CB 3.31Å; Q22-C25 PolarHBondContact O-N 3.49Å; Q22-M26 PolarHBondContact O-N 3.39Å; Q22-E49 HydrophobicContact CG-CG 3.6Å; Q22-M52 HydrophobicContact CB-CB 4.15Å
23Y89.8Confident87.1Confident23 Ų2344.5 Ų44.59%0.0923%0.234CC..Hα-helixtrans-70.8-29.4179-73.7-64.8000112.8R19 A20 A21 M26 L27 V210R19-Y23 HydrophobicContact CG-CD2 3.79Å; R19-Y23 HydrophobicContact CG-CE2 3.61Å; R19-Y23 VanDerWaalsContact O-CD2 3.23Å; R19-Y23 WeakPolarHBondContact O-CD2 3.47Å; R19-Y23 PolarHBondContact O-N 3.18Å; A20-Y23 PolarHBondContact O-N 3.3Å; A21-Y23 PolarHBondContact O-N 2.98Å; Y23-M26 HydrophobicContact CD1-SD 4.01Å; Y23-M26 HydrophobicContact CE1-SD 4.25Å; Y23-M26 PolarHBondContact O-N 2.94Å; Y23-L27 WeakPolarHBondContact O-CG 3.43Å; Y23-L27 PolarHBondContact O-N 3.49Å; Y23-V210 HydrophobicContact CE1-CG1 4.45Å
24A89.2Confident86.9Confident33 Ų3352.8 Ų52.827%0.27327%0.27SS..Hα-helixtrans-63.6-44.6169.400000111.2A20 A21 Q22 M26 L27 L28 L215A20-A24 WeakPolarHBondContact O-CB 3.47Å; A20-A24 PolarHBondContact O-N 3.2Å; A21-A24 WeakPolarHBondContact O-CB 3.32Å; A21-A24 PolarHBondContact O-N 3.22Å; Q22-A24 VanDerWaalsContact C-N 3.33Å; A24-M26 VanDerWaalsContact C-N 3.34Å; A24-M26 PolarHBondContact O-N 3.49Å; A24-L27 PolarHBondContact O-N 3.12Å; A24-L28 VanDerWaalsContact O-CG 3.31Å; A24-L28 WeakPolarHBondContact O-CG 3.44Å; A24-L28 PolarHBondContact O-N 3.42Å; A24-L215 HydrophobicContact CB-CD1 3.93Å
25C88Confident86.2Confident12 Ų1251.6 Ų51.68%0.08127%0.274CS..Hα-helixtrans-60.2-42.8173.4-66.90000111.9A21 Q22 L27 L28 G29 I45 E49A21-C25 PolarHBondContact O-N 3.37Å; A21-C25 PolarHBondContact O-SG 2.77Å; Q22-C25 WeakPolarHBondContact O-CB 3.31Å; Q22-C25 PolarHBondContact O-N 3.49Å; C25-L27 VanDerWaalsContact C-N 3.34Å; C25-L27 PolarHBondContact O-N 2.97Å; C25-L28 PolarHBondContact O-N 3.37Å; C25-G29 PolarHBondContact O-N 2.95Å; C25-I45 HydrophobicContact CB-CG2 4.09Å; C25-I45 VanDerWaalsContact O-CG2 3.24Å; C25-I45 WeakPolarHBondContact O-CG2 3.42Å; C25-E49 HydrophobicContact CB-CB 4.2Å
26M87.5Confident85.2Confident24 Ų2456.2 Ų56.212%0.11831%0.308CS..Hα-helixtrans-60.9-41.7176.2-176.1177.9-177.400112.1Q22 Y23 A24 G29 Y30 P207 V210Q22-M26 PolarHBondContact O-N 3.39Å; Y23-M26 HydrophobicContact CD1-SD 4.01Å; Y23-M26 HydrophobicContact CE1-SD 4.25Å; Y23-M26 PolarHBondContact O-N 2.94Å; A24-M26 VanDerWaalsContact C-N 3.34Å; A24-M26 PolarHBondContact O-N 3.49Å; M26-G29 PolarHBondContact O-N 3.33Å; M26-Y30 PolarHBondContact O-N 2.95Å; M26-P207 HydrophobicContact CE-CB 3.64Å; M26-P207 WeakPolarHBondContact CE-O 3.5Å; M26-V210 HydrophobicContact CE-CB 4.25Å; M26-V210 HydrophobicContact CE-CG1 4.27Å
27L87.9Confident84.1Confident33 Ų3358 Ų5817%0.17332%0.324CS..Hα-helixtrans-66.4-43.8175.5-75.5173000112.3Y23 A24 C25 G29 Y30 T31 G208 T212 L215Y23-L27 WeakPolarHBondContact O-CG 3.43Å; Y23-L27 PolarHBondContact O-N 3.49Å; A24-L27 PolarHBondContact O-N 3.12Å; C25-L27 VanDerWaalsContact C-N 3.34Å; C25-L27 PolarHBondContact O-N 2.97Å; L27-G29 VanDerWaalsContact C-N 3.33Å; L27-Y30 WeakPolarHBondContact O-CB 3.44Å; L27-Y30 PolarHBondContact O-N 3.25Å; L27-T31 WeakPolarHBondContact O-CG2 3.35Å; L27-T31 PolarHBondContact O-N 3.34Å; L27-T31 PolarHBondContact O-OG1 3.29Å; L27-G208 VanDerWaalsContact CD2-O 3.25Å; L27-G208 WeakPolarHBondContact CD2-O 3.4Å; L27-T212 HydrophobicContact CD1-CG2 4.17Å; L27-T212 HydrophobicContact CD2-CG2 3.67Å; L27-L215 HydrophobicContact CD1-CB 4.29Å; L27-L215 HydrophobicContact CD1-CD2 4.13Å
28L86.3Confident83Confident91 Ų9157.2 Ų57.248%0.47633%0.325SS..Hα-helixtrans-61.7-42.6174.9-70.7171.9000111A24 C25 Y30 T31 L32 I45A24-L28 VanDerWaalsContact O-CG 3.31Å; A24-L28 WeakPolarHBondContact O-CG 3.44Å; A24-L28 PolarHBondContact O-N 3.42Å; C25-L28 PolarHBondContact O-N 3.37Å; L28-Y30 VanDerWaalsContact C-N 3.28Å; L28-Y30 PolarHBondContact O-N 3.45Å; L28-T31 PolarHBondContact O-N 2.94Å; L28-T31 PolarHBondContact O-OG1 3.06Å; L28-L32 WeakPolarHBondContact O-CB 3.47Å; L28-L32 WeakPolarHBondContact O-CD1 3.39Å; L28-L32 PolarHBondContact O-N 3.36Å; L28-I45 HydrophobicContact CB-CD1 4.26Å
29G85.6Confident82.5Confident19 Ų1960.7 Ų60.720%0.19635%0.348CS..Hα-helixtrans-59.1-40.5174.200000112.2C25 M26 L27 H33C25-G29 PolarHBondContact O-N 2.95Å; M26-G29 PolarHBondContact O-N 3.33Å; L27-G29 VanDerWaalsContact C-N 3.33Å; G29-H33 WeakPolarHBondContact O-CB 3.43Å; G29-H33 PolarHBondContact O-N 2.91Å
30Y86Confident82.1Confident107 Ų10765.4 Ų65.442%0.4237%0.374SS..Hα-helixtrans-67.5-42.4176.8178.8-106.2000113.1M26 L27 L28 K34 P207M26-Y30 PolarHBondContact O-N 2.95Å; L27-Y30 WeakPolarHBondContact O-CB 3.44Å; L27-Y30 PolarHBondContact O-N 3.25Å; L28-Y30 VanDerWaalsContact C-N 3.28Å; L28-Y30 PolarHBondContact O-N 3.45Å; Y30-K34 PolarHBondContact O-N 3.48Å; Y30-P207 HydrophobicContact CD2-CG 3.86Å; Y30-P207 HydrophobicContact CE2-CG 4.24Å
31T85.1Confident81.8Confident68 Ų6869 Ų6942%0.41739%0.391SS..Hα-helixtrans-68.8-41.417855.90000111.8L27 L28 H33 K34 S35L27-T31 WeakPolarHBondContact O-CG2 3.35Å; L27-T31 PolarHBondContact O-N 3.34Å; L27-T31 PolarHBondContact O-OG1 3.29Å; L28-T31 PolarHBondContact O-N 2.94Å; L28-T31 PolarHBondContact O-OG1 3.06Å; T31-H33 VanDerWaalsContact C-N 3.34Å; T31-H33 PolarHBondContact O-N 3.04Å; T31-K34 WeakPolarHBondContact O-CB 3.14Å; T31-K34 PolarHBondContact O-N 2.95Å; T31-S35 PolarHBondContact O-N 3.02Å; T31-S35 VanDerWaalsContact O-N 3.15Å; T31-S35 PolarHBondContact O-OG 3.45Å
32L83.6Confident81.5Confident34 Ų3471.3 Ų71.318%0.17840%0.396CS..Hα-helixtrans-63.7-38.7176.5-90.779.6000112.2L28 K34 S35 S36 L41 I45L28-L32 WeakPolarHBondContact O-CB 3.47Å; L28-L32 WeakPolarHBondContact O-CD1 3.39Å; L28-L32 PolarHBondContact O-N 3.36Å; L32-K34 PolarHBondContact O-N 2.97Å; L32-S35 PolarHBondContact O-N 3.29Å; L32-S36 PolarHBondContact O-N 3.37Å; L32-L41 HydrophobicContact CD2-CB 3.87Å; L32-I45 HydrophobicContact CD1-CD1 4.28Å; L32-I45 HydrophobicContact CD2-CD1 3.86Å
33H79.4Confident81.2Confident133 Ų13378.6 Ų78.662%0.61642%0.423SS*.Hα-helixtrans-60.7-34.9175.9-169.263.1000112.1G29 T31 S35G29-H33 WeakPolarHBondContact O-CB 3.43Å; G29-H33 PolarHBondContact O-N 2.91Å; T31-H33 VanDerWaalsContact C-N 3.34Å; T31-H33 PolarHBondContact O-N 3.04Å; H33-S35 VanDerWaalsContact C-N 3.34Å
34K77.4Confident81.1Confident173 Ų17381.6 Ų81.675%0.75244%0.444SS*.Hα-helixtrans-74.4-24.2175.7-165.3175.6180-179.40113.1Y30 T31 L32Y30-K34 PolarHBondContact O-N 3.48Å; T31-K34 WeakPolarHBondContact O-CB 3.14Å; T31-K34 PolarHBondContact O-N 2.95Å; L32-K34 PolarHBondContact O-N 2.97Å
35S71.9Confident81Confident71 Ų7181.4 Ų81.450%0.49744%0.438SS..THydrogen-bonded Turntrans-98.33.3-173.9-63.70000115T31 L32 H33 V37T31-S35 PolarHBondContact O-N 3.02Å; T31-S35 VanDerWaalsContact O-N 3.15Å; T31-S35 PolarHBondContact O-OG 3.45Å; L32-S35 PolarHBondContact O-N 3.29Å; H33-S35 VanDerWaalsContact C-N 3.34Å; S35-V37 WeakPolarHBondContact O-CG2 3.44Å; S35-V37 PolarHBondContact O-N 3.36Å
36S65.9Low81Confident120 Ų12084.2 Ų84.284%0.83946%0.457SS*.THydrogen-bonded Turntrans4926.7-179.472.10000115.4L32L32-S36 PolarHBondContact O-N 3.37Å
37V64.1Low81.1Confident81 Ų8187.1 Ų87.149%0.49147%0.471SS..  trans-90.3128.5-179.4179.80000109.9S35 L41S35-V37 WeakPolarHBondContact O-CG2 3.44Å; S35-V37 PolarHBondContact O-N 3.36Å; V37-L41 HydrophobicContact CG1-CD1 4.43Å
38A65.6Low81.2Confident53 Ų5389.2 Ų89.244%0.43848%0.482SS..  trans25107.9167.800000117.4D40 L41A38-D40 PolarHBondContact O-N 3.38Å; A38-D40 VanDerWaalsContact O-N 3.08Å; A38-L41 HydrophobicContact CB-CD1 4.26Å; A38-L41 HydrophobicContact CB-CG 4.49Å; A38-L41 PolarHBondContact O-N 2.88Å; A38-L41 VanDerWaalsContact O-N 3.12Å
39T77.4Confident81.3Confident109 Ų10987.3 Ų87.367%0.66947%0.471SS*.Hα-helixtrans-53.3-29176.146.80000114.3Q42 R43T39-Q42 PolarHBondContact O-N 3.37Å; T39-R43 PolarHBondContact O-N 3.49Å
40D81.4Confident81.5Confident120 Ų12088.9 Ų88.964%0.64248%0.481SS*.Hα-helixtrans-70.3-38.1-179.1-61.5-24.4000112.4A38 Q42 R43 T44A38-D40 PolarHBondContact O-N 3.38Å; A38-D40 VanDerWaalsContact O-N 3.08Å; D40-Q42 VanDerWaalsContact C-N 3.35Å; D40-R43 PolarHBondContact O-N 2.97Å; D40-T44 PolarHBondContact O-N 3.16Å; D40-T44 PolarHBondContact O-OG1 3.47Å
41L83Confident81.6Confident91 Ų9189.3 Ų89.348%0.47649%0.487SS..Hα-helixtrans-65.7-40.7174.1-75171.2000110.8L32 V37 A38 R43 T44 I45L32-L41 HydrophobicContact CD2-CB 3.87Å; V37-L41 HydrophobicContact CG1-CD1 4.43Å; A38-L41 HydrophobicContact CB-CD1 4.26Å; A38-L41 HydrophobicContact CB-CG 4.49Å; A38-L41 PolarHBondContact O-N 2.88Å; A38-L41 VanDerWaalsContact O-N 3.12Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.34Å; L41-T44 PolarHBondContact O-N 3.33Å; L41-I45 WeakPolarHBondContact O-CG1 3.32Å; L41-I45 PolarHBondContact O-N 3.12Å
42Q85Confident81.8Confident83 Ų8388.2 Ų88.239%0.38848%0.478SS..Hα-helixtrans-61.5-42.6176.8-173.5-179.3-2.700111.6T39 D40 I45 S46T39-Q42 PolarHBondContact O-N 3.37Å; D40-Q42 VanDerWaalsContact C-N 3.35Å; Q42-I45 PolarHBondContact O-N 2.99Å; Q42-S46 WeakPolarHBondContact O-CB 3.14Å; Q42-S46 PolarHBondContact O-N 3.09Å
43R84.9Confident82Confident172 Ų17287.8 Ų87.865%0.64948%0.477SS*.Hα-helixtrans-61.5-46.6175.6-176.2177178157.81.3111.7T39 D40 L41 I45 S46 E47T39-R43 PolarHBondContact O-N 3.49Å; D40-R43 PolarHBondContact O-N 2.97Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.34Å; R43-I45 VanDerWaalsContact C-N 3.35Å; R43-I45 PolarHBondContact O-N 3.11Å; R43-S46 WeakPolarHBondContact O-CB 3.33Å; R43-S46 PolarHBondContact O-N 3.28Å; R43-E47 WeakPolarHBondContact CG-OE1 3.43Å; R43-E47 IonicContact CZ-OE1 2.86Å; R43-E47 IonicContact NE-OE1 2.74Å; R43-E47 PolarHBondContact NE-OE1 3.5Å; R43-E47 IonicContact NH2-OE1 2.95Å; R43-E47 WeakPolarHBondContact O-CG 3.24Å; R43-E47 PolarHBondContact O-N 3.29Å
44T87.3Confident82.4Confident87 Ų8784 Ų8453%0.53446%0.462SS..Hα-helixtrans-61.4-42.6-179.7-52.40000111.7D40 L41 E47 L48D40-T44 PolarHBondContact O-N 3.16Å; D40-T44 PolarHBondContact O-OG1 3.47Å; L41-T44 PolarHBondContact O-N 3.33Å; T44-E47 PolarHBondContact O-N 2.99Å; T44-L48 WeakPolarHBondContact O-CB 3.42Å; T44-L48 PolarHBondContact O-N 3.35Å
45I88.4Confident82.9Confident29 Ų2978.6 Ų78.615%0.14944%0.443CS..Hα-helixtrans-65.4-40.6176.8-68.9168.8000111.2C25 L28 L32 L41 Q42 R43 L48 E49C25-I45 HydrophobicContact CB-CG2 4.09Å; C25-I45 VanDerWaalsContact O-CG2 3.24Å; C25-I45 WeakPolarHBondContact O-CG2 3.42Å; L28-I45 HydrophobicContact CB-CD1 4.26Å; L32-I45 HydrophobicContact CD1-CD1 4.28Å; L32-I45 HydrophobicContact CD2-CD1 3.86Å; L41-I45 WeakPolarHBondContact O-CG1 3.32Å; L41-I45 PolarHBondContact O-N 3.12Å; Q42-I45 PolarHBondContact O-N 2.99Å; R43-I45 VanDerWaalsContact C-N 3.35Å; R43-I45 PolarHBondContact O-N 3.11Å; I45-L48 PolarHBondContact O-N 2.98Å; I45-E49 WeakPolarHBondContact O-CB 3.24Å; I45-E49 PolarHBondContact O-N 3.37Å
46S87.3Confident83.6Confident70 Ų7075.9 Ų75.949%0.4942%0.422SS..Hα-helixtrans-65.1-43177.8-173.50000112.1Q42 R43 E49 A50Q42-S46 WeakPolarHBondContact O-CB 3.14Å; Q42-S46 PolarHBondContact O-N 3.09Å; R43-S46 WeakPolarHBondContact O-CB 3.33Å; R43-S46 PolarHBondContact O-N 3.28Å; S46-E49 PolarHBondContact O-N 2.91Å; S46-A50 WeakPolarHBondContact O-CB 3.38Å; S46-A50 PolarHBondContact O-N 3.27Å
47E89.6Confident84.7Confident85 Ų8571 Ų7140%0.39739%0.385SS..Hα-helixtrans-62.9-43.7174.7-72.4174-174.400110.9R43 T44 E49 A50 H51R43-E47 WeakPolarHBondContact CG-OE1 3.43Å; R43-E47 IonicContact CZ-OE1 2.86Å; R43-E47 IonicContact NE-OE1 2.74Å; R43-E47 PolarHBondContact NE-OE1 3.5Å; R43-E47 IonicContact NH2-OE1 2.95Å; R43-E47 WeakPolarHBondContact O-CG 3.24Å; R43-E47 PolarHBondContact O-N 3.29Å; T44-E47 PolarHBondContact O-N 2.99Å; E47-E49 PolarHBondContact O-N 3.29Å; E47-A50 WeakPolarHBondContact O-CB 3.5Å; E47-A50 PolarHBondContact O-N 2.98Å; E47-H51 PolarHBondContact O-CD2 3.27Å; E47-H51 PolarHBondContact O-N 3.28Å
48L89.2Confident85.8Confident77 Ų7771 Ų7140%0.40338%0.383SS..Hα-helixtrans-61.3-44.8175.1-172.463.8000111.8T44 I45 A50 H51 M52T44-L48 WeakPolarHBondContact O-CB 3.42Å; T44-L48 PolarHBondContact O-N 3.35Å; I45-L48 PolarHBondContact O-N 2.98Å; L48-A50 VanDerWaalsContact C-N 3.29Å; L48-A50 PolarHBondContact O-N 3.35Å; L48-H51 PolarHBondContact O-N 2.94Å; L48-M52 HydrophobicContact CD1-CE 3.74Å; L48-M52 HydrophobicContact CG-CE 4.31Å; L48-M52 HydrophobicContact CG-CG 4.49Å; L48-M52 WeakPolarHBondContact O-CB 3.49Å; L48-M52 WeakPolarHBondContact O-CG 3.47Å; L48-M52 PolarHBondContact O-N 3.22Å
49E89.7Confident86.7Confident52 Ų5270.7 Ų70.724%0.24337%0.373CS..Hα-helixtrans-58-43.7175.6-168.7-164.8148.900111.2Q22 C25 I45 S46 E47 M52 S53Q22-E49 HydrophobicContact CG-CG 3.6Å; C25-E49 HydrophobicContact CB-CB 4.2Å; I45-E49 WeakPolarHBondContact O-CB 3.24Å; I45-E49 PolarHBondContact O-N 3.37Å; S46-E49 PolarHBondContact O-N 2.91Å; E47-E49 PolarHBondContact O-N 3.29Å; E49-M52 PolarHBondContact O-N 3.49Å; E49-S53 WeakPolarHBondContact O-CB 3.49Å; E49-S53 PolarHBondContact O-N 3.26Å
50A88.4Confident87Confident51 Ų5166.7 Ų66.742%0.42135%0.346SS..Hα-helixtrans-63.7-44.8178.300000112.1S46 E47 L48 S53 L54S46-A50 WeakPolarHBondContact O-CB 3.38Å; S46-A50 PolarHBondContact O-N 3.27Å; E47-A50 WeakPolarHBondContact O-CB 3.5Å; E47-A50 PolarHBondContact O-N 2.98Å; L48-A50 VanDerWaalsContact C-N 3.29Å; L48-A50 PolarHBondContact O-N 3.35Å; A50-S53 PolarHBondContact O-N 3.45Å; A50-L54 WeakPolarHBondContact O-CG 3.3Å; A50-L54 PolarHBondContact O-N 3.1Å
51H89.8Confident87.2Confident116 Ų11664.1 Ų64.154%0.53733%0.332SS..Hα-helixtrans-63.7-42.1176.3-73.3-58.5000112.3E47 L48 L54 T55E47-H51 PolarHBondContact O-CD2 3.27Å; E47-H51 PolarHBondContact O-N 3.28Å; L48-H51 PolarHBondContact O-N 2.94Å; H51-L54 PolarHBondContact O-N 2.93Å; H51-T55 WeakPolarHBondContact O-CB 3.25Å; H51-T55 PolarHBondContact O-N 3.03Å; H51-T55 PolarHBondContact O-OG1 2.88Å
52M88.8Confident87.1Confident45 Ų4561.6 Ų61.622%0.22233%0.327CS..Hα-helixtrans-62.2-44.5175.2-67.4-64.5173.100110.7L18 A21 Q22 L48 E49 L54 T55 R56L18-M52 HydrophobicContact CD2-SD 3.37Å; L18-M52 WeakPolarHBondContact CD2-SD 3.32Å; A21-M52 HydrophobicContact CB-SD 4.49Å; Q22-M52 HydrophobicContact CB-CB 4.15Å; L48-M52 HydrophobicContact CD1-CE 3.74Å; L48-M52 HydrophobicContact CG-CE 4.31Å; L48-M52 HydrophobicContact CG-CG 4.49Å; L48-M52 WeakPolarHBondContact O-CB 3.49Å; L48-M52 WeakPolarHBondContact O-CG 3.47Å; L48-M52 PolarHBondContact O-N 3.22Å; E49-M52 PolarHBondContact O-N 3.49Å; M52-L54 PolarHBondContact O-N 2.93Å; M52-T55 PolarHBondContact O-N 3.44Å; M52-R56 VanDerWaalsContact O-CG 3.24Å; M52-R56 WeakPolarHBondContact O-CG 3.39Å; M52-R56 PolarHBondContact O-N 3.36Å
53S87.6Confident87.1Confident25 Ų2558.7 Ų58.718%0.17532%0.315CS..Hα-helixtrans-60.9-45.4176.9-173.90000112.5E49 A50 R56 K57E49-S53 WeakPolarHBondContact O-CB 3.49Å; E49-S53 PolarHBondContact O-N 3.26Å; A50-S53 PolarHBondContact O-N 3.45Å; S53-R56 PolarHBondContact O-N 3.03Å; S53-K57 WeakPolarHBondContact O-CG 3.4Å; S53-K57 PolarHBondContact O-N 2.92Å; S53-K57 VanDerWaalsContact O-N 3.12Å
54L87.4Confident87Confident55 Ų5551.5 Ų51.529%0.28829%0.291SS..Hα-helixtrans-62.1-45.1177.1-76.8173.8000112.1A50 H51 M52 R56 K57 L58 K107A50-L54 WeakPolarHBondContact O-CG 3.3Å; A50-L54 PolarHBondContact O-N 3.1Å; H51-L54 PolarHBondContact O-N 2.93Å; M52-L54 PolarHBondContact O-N 2.93Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 3.44Å; L54-K57 PolarHBondContact O-N 3.07Å; L54-L58 PolarHBondContact O-N 3.36Å; L54-K107 HydrophobicContact CD2-CB 4.04Å; L54-K107 HydrophobicContact CD2-CD 3.54Å; L54-K107 HydrophobicContact CD2-CG 4.45Å
55T87.9Confident87Confident59 Ų5952 Ų5236%0.36229%0.294SS..Hα-helixtrans-62-40.3178.7-53.80000111L18 H51 M52 K57 L58 L59L18-T55 HydrophobicContact CD1-CG2 3.76Å; H51-T55 WeakPolarHBondContact O-CB 3.25Å; H51-T55 PolarHBondContact O-N 3.03Å; H51-T55 PolarHBondContact O-OG1 2.88Å; M52-T55 PolarHBondContact O-N 3.44Å; T55-K57 PolarHBondContact O-N 3.2Å; T55-L58 WeakPolarHBondContact O-CB 3.43Å; T55-L58 PolarHBondContact O-N 2.92Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 2.72Å
56R87.9Confident86.8Confident14 Ų1455.9 Ų55.95%0.05331%0.311CS..Hα-helixtrans-62.4-43175.3-71.8174.267.9-156.1-4.8112.8E15 L18 R19 M52 S53 L54 L58 L59 R60E15-R56 IonicContact OE1-CZ 3.87Å; E15-R56 IonicContact OE1-NE 2.88Å; E15-R56 PolarHBondContact OE1-NE 3.37Å; E15-R56 IonicContact OE1-NH2 2.67Å; E15-R56 PolarHBondContact OE1-NH2 2.91Å; L18-R56 HydrophobicContact CB-CG 3.52Å; L18-R56 HydrophobicContact CD1-CG 4.39Å; R19-R56 VanDerWaalsContact CD-NH2 3.28Å; M52-R56 VanDerWaalsContact O-CG 3.24Å; M52-R56 WeakPolarHBondContact O-CG 3.39Å; M52-R56 PolarHBondContact O-N 3.36Å; S53-R56 PolarHBondContact O-N 3.03Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 3.44Å; R56-L58 VanDerWaalsContact C-N 3.3Å; R56-L58 PolarHBondContact O-N 2.91Å; R56-L59 PolarHBondContact O-N 2.92Å; R56-R60 WeakPolarHBondContact O-CD 3.47Å; R56-R60 VanDerWaalsContact O-CG 3.24Å; R56-R60 WeakPolarHBondContact O-CG 3.2Å; R56-R60 PolarHBondContact O-N 3.27Å
57K87.8Confident86.7Confident16 Ų1652.9 Ų52.97%0.0729%0.29CS..Hα-helixtrans-61.4-41.6176.3-68.8178.7-179.9-108.90111S53 L54 T55 R60 L61 D100 W104S53-K57 WeakPolarHBondContact O-CG 3.4Å; S53-K57 PolarHBondContact O-N 2.92Å; S53-K57 VanDerWaalsContact O-N 3.12Å; L54-K57 PolarHBondContact O-N 3.07Å; T55-K57 PolarHBondContact O-N 3.2Å; K57-R60 PolarHBondContact O-N 2.89Å; K57-L61 PolarHBondContact O-N 3.39Å; K57-D100 WeakPolarHBondContact CE-OD1 3.22Å; K57-D100 IonicContact NZ-OD1 3.19Å; K57-D100 PolarHBondContact NZ-OD1 3.3Å; K57-W104 HydrophobicContact CB-CB 4.1Å; K57-W104 HydrophobicContact CB-CG 4.17Å; K57-W104 HydrophobicContact CD-CB 4.38Å
58L87.4Confident86.4Confident83 Ų8353.1 Ų53.144%0.43529%0.294SS..Hα-helixtrans-59.7-47.2174.6177.272.1000111.9L54 T55 R56 R60 L61 W104L54-L58 PolarHBondContact O-N 3.36Å; T55-L58 WeakPolarHBondContact O-CB 3.43Å; T55-L58 PolarHBondContact O-N 2.92Å; R56-L58 VanDerWaalsContact C-N 3.3Å; R56-L58 PolarHBondContact O-N 2.91Å; L58-R60 PolarHBondContact O-N 3Å; L58-R60 VanDerWaalsContact O-N 3.16Å; L58-L61 HydrophobicContact CD1-CD1 3.65Å; L58-L61 WeakPolarHBondContact O-CB 3.46Å; L58-L61 VanDerWaalsContact O-CG 3.26Å; L58-L61 WeakPolarHBondContact O-CG 3.48Å; L58-L61 PolarHBondContact O-N 2.71Å; L58-L61 VanDerWaalsContact O-N 3.12Å; L58-W104 HydrophobicContact CD1-CH2 4.1Å; L58-W104 HydrophobicContact CD1-CZ2 3.33Å; L58-W104 HydrophobicContact CG-CZ2 4.48Å
59L84.9Confident86.4Confident45 Ų4555 Ų5524%0.23630%0.301CS..Hα-helixtrans-66.5-15179.5-69178.7000114.1K14 E15 L18 T55 R56K14-L59 HydrophobicContact CB-CD1 4.13Å; E15-L59 HydrophobicContact CB-CB 4.49Å; E15-L59 HydrophobicContact CB-CD1 4.42Å; L18-L59 HydrophobicContact CD1-CD1 3.42Å; L18-L59 VanDerWaalsContact CD1-CD1 3.42Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 2.72Å; R56-L59 PolarHBondContact O-N 2.92Å
60R84Confident86.1Confident25 Ų2554 Ų549%0.09430%0.301CS..THydrogen-bonded Turntrans-92.1-5.6176.9-68.9162.3173.6-153-11.9113.1E15 R56 K57 L58 G62 N63 Y96 F97 D100E15-R60 HydrophobicContact CG-CG 4.14Å; E15-R60 IonicContact OE1-CZ 3.8Å; E15-R60 VanDerWaalsContact OE1-CZ 3.25Å; E15-R60 IonicContact OE1-NE 2.95Å; E15-R60 PolarHBondContact OE1-NE 3.42Å; E15-R60 IonicContact OE1-NH2 3.25Å; E15-R60 PolarHBondContact OE1-NH2 3.23Å; R56-R60 WeakPolarHBondContact O-CD 3.47Å; R56-R60 VanDerWaalsContact O-CG 3.24Å; R56-R60 WeakPolarHBondContact O-CG 3.2Å; R56-R60 PolarHBondContact O-N 3.27Å; K57-R60 PolarHBondContact O-N 2.89Å; L58-R60 PolarHBondContact O-N 3Å; L58-R60 VanDerWaalsContact O-N 3.16Å; R60-G62 PolarHBondContact O-N 3.24Å; R60-N63 VanDerWaalsContact O-CB 3.25Å; R60-N63 WeakPolarHBondContact O-CB 3.28Å; R60-N63 PolarHBondContact O-N 3.12Å; R60-Y96 PolarHBondContact NH1-OH 2.98Å; R60-F97 HydrophobicContact CB-CD1 4.21Å; R60-F97 HydrophobicContact CB-CE1 4.22Å; R60-F97 HydrophobicContact CG-CE1 4.1Å; R60-D100 IonicContact NH1-OD2 3.75Å
61L84.3Confident85.8Confident67 Ų6752.1 Ų52.135%0.35129%0.286SS..THydrogen-bonded Turntrans-56.4129.5171.1-66.6179.2000108.8K57 L58 N101 W104K57-L61 PolarHBondContact O-N 3.39Å; L58-L61 HydrophobicContact CD1-CD1 3.65Å; L58-L61 WeakPolarHBondContact O-CB 3.46Å; L58-L61 VanDerWaalsContact O-CG 3.26Å; L58-L61 WeakPolarHBondContact O-CG 3.48Å; L58-L61 PolarHBondContact O-N 2.71Å; L58-L61 VanDerWaalsContact O-N 3.12Å; L61-N101 HydrophobicContact CD2-CB 3.98Å; L61-N101 WeakPolarHBondContact CD2-OD1 3.41Å; L61-W104 HydrophobicContact CD1-CE3 4.29Å; L61-W104 HydrophobicContact CD1-CH2 3.86Å; L61-W104 HydrophobicContact CD1-CZ2 4.11Å; L61-W104 HydrophobicContact CD1-CZ3 3.95Å; L61-W104 HydrophobicContact CD2-CE3 4.1Å; L61-W104 HydrophobicContact CD2-CZ3 4.38Å
62G81.4Confident85.5Confident37 Ų3752.9 Ų52.938%0.38129%0.288SS..THydrogen-bonded Turntrans92.6-20-175.500000114.9R60 S64 V65 E66R60-G62 PolarHBondContact O-N 3.24Å; G62-S64 PolarHBondContact O-N 3.2Å; G62-S64 VanDerWaalsContact O-N 3.12Å; G62-V65 WeakPolarHBondContact O-CB 3.45Å; G62-V65 PolarHBondContact O-N 3.25Å; G62-E66 PolarHBondContact O-N 2.88Å
63N84.8Confident85.2Confident22 Ų2254.9 Ų54.912%0.11830%0.303CS..Hα-helixtrans-64.3-20.6177.8-68.515.8000113R60 V65 E66 A67 F97R60-N63 VanDerWaalsContact O-CB 3.25Å; R60-N63 WeakPolarHBondContact O-CB 3.28Å; R60-N63 PolarHBondContact O-N 3.12Å; N63-V65 VanDerWaalsContact C-N 3.32Å; N63-E66 PolarHBondContact O-N 3.36Å; N63-A67 VanDerWaalsContact O-CB 3.32Å; N63-A67 WeakPolarHBondContact O-CB 3.5Å; N63-A67 PolarHBondContact O-N 3.48Å; N63-F97 HydrophobicContact CB-CD1 4.19Å; N63-F97 HydrophobicContact CB-CD2 3.74Å; N63-F97 HydrophobicContact CB-CE1 4.19Å; N63-F97 HydrophobicContact CB-CE2 3.71Å; N63-F97 HydrophobicContact CB-CG 3.99Å; N63-F97 HydrophobicContact CB-CZ 3.96Å
64S83.5Confident84.7Confident22 Ų2254.5 Ų54.515%0.15430%0.299CS..Hα-helixtrans-62.2-40.1171.651.10000111.7G62 A67 L68G62-S64 PolarHBondContact O-N 3.2Å; G62-S64 VanDerWaalsContact O-N 3.12Å; S64-A67 PolarHBondContact O-N 3.34Å; S64-L68 WeakPolarHBondContact O-CG 3.33Å; S64-L68 PolarHBondContact O-N 2.86Å
65V85.8Confident84.2Confident98 Ų9856.3 Ų56.359%0.59431%0.308SS*.Hα-helixtrans-71.7-41.6178-176.60000110.3G62 N63 A67 L68 Q69G62-V65 WeakPolarHBondContact O-CB 3.45Å; G62-V65 PolarHBondContact O-N 3.25Å; N63-V65 VanDerWaalsContact C-N 3.32Å; V65-A67 VanDerWaalsContact C-N 3.29Å; V65-A67 PolarHBondContact O-N 3.44Å; V65-L68 PolarHBondContact O-N 2.99Å; V65-Q69 PolarHBondContact O-N 3.31Å
66E85.3Confident83.7Confident109 Ų10960.9 Ų60.951%0.50933%0.325SS..Hα-helixtrans-58.3-42.8173-64-174.416900111.6Q12 G62 N63 Q69 A70Q12-E66 PolarHBondContact NE2-OE2 2.88Å; G62-E66 PolarHBondContact O-N 2.88Å; N63-E66 PolarHBondContact O-N 3.36Å; E66-Q69 PolarHBondContact O-N 2.92Å; E66-A70 WeakPolarHBondContact O-CB 3.4Å; E66-A70 PolarHBondContact O-N 3.48Å
67A84.4Confident83.2Confident7 Ų762 Ų626%0.05833%0.332CS..Hα-helixtrans-66.4-37.5177.800000112.4N63 S64 V65 A70 A71 A94N63-A67 VanDerWaalsContact O-CB 3.32Å; N63-A67 WeakPolarHBondContact O-CB 3.5Å; N63-A67 PolarHBondContact O-N 3.48Å; S64-A67 PolarHBondContact O-N 3.34Å; V65-A67 VanDerWaalsContact C-N 3.29Å; V65-A67 PolarHBondContact O-N 3.44Å; A67-A70 PolarHBondContact O-N 3.2Å; A67-A71 WeakPolarHBondContact O-CB 3.01Å; A67-A71 PolarHBondContact O-N 2.88Å; A67-A94 HydrophobicContact CB-CB 3.86Å
68L84.6Confident82.2Confident91 Ų9166.5 Ų66.548%0.47637%0.366SS..Hα-helixtrans-66.3-42.1173.5-73.5170.3000112S64 V65 A70 A71 K72 L91 A94S64-L68 WeakPolarHBondContact O-CG 3.33Å; S64-L68 PolarHBondContact O-N 2.86Å; V65-L68 PolarHBondContact O-N 2.99Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 3.38Å; L68-A71 WeakPolarHBondContact O-CB 3.38Å; L68-A71 PolarHBondContact O-N 2.97Å; L68-K72 PolarHBondContact O-N 2.97Å; L68-L91 HydrophobicContact CD2-CD1 4.13Å; L68-A94 HydrophobicContact CD2-CB 3.94Å; L68-A94 HydrophobicContact CG-CB 3.86Å
69Q87.6Confident81.8Confident116 Ų11664.7 Ų64.754%0.54236%0.356SS..Hα-helixtrans-63.4-41.4175.6-174.96520.900111V65 E66 K72 T73V65-Q69 PolarHBondContact O-N 3.31Å; E66-Q69 PolarHBondContact O-N 2.92Å; Q69-K72 WeakPolarHBondContact O-CB 3.03Å; Q69-K72 PolarHBondContact O-N 2.79Å; Q69-T73 PolarHBondContact O-N 3.06Å; Q69-T73 VanDerWaalsContact O-N 3.09Å; Q69-T73 PolarHBondContact O-OG1 3.12Å; Q69-T73 VanDerWaalsContact O-OG1 3.1Å
70A83.8Confident81.7Confident30 Ų3066.3 Ų66.325%0.24837%0.371CS..Hα-helixtrans-60.6-47.217400000111.3E66 A67 L68 K72 T73 T74E66-A70 WeakPolarHBondContact O-CB 3.4Å; E66-A70 PolarHBondContact O-N 3.48Å; A67-A70 PolarHBondContact O-N 3.2Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 3.38Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 3.29Å; A70-T73 PolarHBondContact O-N 3.39Å; A70-T73 VanDerWaalsContact O-N 3.12Å; A70-T74 PolarHBondContact O-N 3.03Å; A70-T74 PolarHBondContact O-OG1 3.42Å
71A82.3Confident81.5Confident13 Ų1368.3 Ų68.311%0.10739%0.386CS..Hα-helixtrans-55.3-42.8176.100000111.7A67 L68 T74 I75 H90A67-A71 WeakPolarHBondContact O-CB 3.01Å; A67-A71 PolarHBondContact O-N 2.88Å; L68-A71 WeakPolarHBondContact O-CB 3.38Å; L68-A71 PolarHBondContact O-N 2.97Å; A71-T74 PolarHBondContact O-N 3.26Å; A71-I75 WeakPolarHBondContact O-CG1 3.15Å; A71-I75 PolarHBondContact O-N 2.69Å; A71-H90 HydrophobicContact CB-CB 3.67Å
72K84.4Confident81.4Confident131 Ų13166 Ų6657%0.5737%0.374SS*.Hα-helixtrans-61.8-44.6177.2-174.6179.3177-179.70112.3L68 Q69 A70 T74 I75L68-K72 PolarHBondContact O-N 2.97Å; Q69-K72 WeakPolarHBondContact O-CB 3.03Å; Q69-K72 PolarHBondContact O-N 2.79Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 3.29Å; K72-T74 VanDerWaalsContact C-N 3.33Å; K72-T74 PolarHBondContact O-N 3.02Å; K72-I75 WeakPolarHBondContact O-CB 3.28Å; K72-I75 PolarHBondContact O-N 3.45Å
73T81.6Confident81.5Confident87 Ų8768.1 Ų68.153%0.53437%0.371SS..Hα-helixtrans-64-39.6179.4-53.90000111.7Q69 A70 I75 H76Q69-T73 PolarHBondContact O-N 3.06Å; Q69-T73 VanDerWaalsContact O-N 3.09Å; Q69-T73 PolarHBondContact O-OG1 3.12Å; Q69-T73 VanDerWaalsContact O-OG1 3.1Å; A70-T73 PolarHBondContact O-N 3.39Å; A70-T73 VanDerWaalsContact O-N 3.12Å; T73-I75 PolarHBondContact O-N 3.04Å; T73-H76 PolarHBondContact O-N 3.24Å
74T77.8Confident81.5Confident17 Ų1772.1 Ų72.110%0.10439%0.391CS..Hα-helixtrans-63.5-24.5-179.9-51.90000113.3A70 A71 K72 H76 L77 R83 L86 T87 H90A70-T74 PolarHBondContact O-N 3.03Å; A70-T74 PolarHBondContact O-OG1 3.42Å; A71-T74 PolarHBondContact O-N 3.26Å; K72-T74 VanDerWaalsContact C-N 3.33Å; K72-T74 PolarHBondContact O-N 3.02Å; T74-H76 PolarHBondContact O-N 3.24Å; T74-H76 VanDerWaalsContact O-N 3.07Å; T74-L77 VanDerWaalsContact O-CB 3.27Å; T74-L77 WeakPolarHBondContact O-CB 3.3Å; T74-L77 PolarHBondContact O-N 3.23Å; T74-R83 WeakPolarHBondContact O-CG 3.47Å; T74-L86 HydrophobicContact CG2-CB 3.3Å; T74-L86 HydrophobicContact CG2-CD1 4.09Å; T74-L86 HydrophobicContact CG2-CG 4.36Å; T74-T87 HydrophobicContact CG2-CG2 3.76Å; T74-H90 PolarHBondContact OG1-CD2 3.08Å
75I77.3Confident81.5Confident93 Ų9371.9 Ų71.948%0.47739%0.39SS..THydrogen-bonded Turntrans-58.5-24.9178-65.5168000112.1A71 K72 T73 R83 T87A71-I75 WeakPolarHBondContact O-CG1 3.15Å; A71-I75 PolarHBondContact O-N 2.69Å; K72-I75 WeakPolarHBondContact O-CB 3.28Å; K72-I75 PolarHBondContact O-N 3.45Å; T73-I75 PolarHBondContact O-N 3.04Å; I75-R83 VanDerWaalsContact O-CD 3.3Å; I75-R83 WeakPolarHBondContact O-CD 3.27Å; I75-R83 PolarHBondContact O-NE 3.07Å; I75-R83 PolarHBondContact O-NH1 3.42Å; I75-T87 HydrophobicContact CG1-CG2 3.81Å
76H77.1Confident81.4Confident155 Ų15568 Ų6872%0.71837%0.365SS*.THydrogen-bonded Turntrans-86.80.5-179.6-63.9-70.8000114.4T73 T74T73-H76 PolarHBondContact O-N 3.24Å; T74-H76 PolarHBondContact O-N 3.24Å; T74-H76 VanDerWaalsContact O-N 3.07Å
77L76.4Confident81.5Confident37 Ų3763.9 Ų63.919%0.19435%0.348CS..  trans-72.4131.6-176.3-155.677.2000111.7T74 D79 L82 R83 L86T74-L77 VanDerWaalsContact O-CB 3.27Å; T74-L77 WeakPolarHBondContact O-CB 3.3Å; T74-L77 PolarHBondContact O-N 3.23Å; L77-D79 PolarHBondContact O-N 3.39Å; L77-L82 HydrophobicContact CD2-CB 4.13Å; L77-L82 HydrophobicContact CD2-CD2 3.54Å; L77-L82 HydrophobicContact CD2-CG 3.59Å; L77-R83 HydrophobicContact CB-CB 4.41Å; L77-R83 PolarHBondContact O-NE 3.46Å; L77-R83 PolarHBondContact O-NH2 2.87Å; L77-L86 HydrophobicContact CD2-CD1 4.1Å
78S67.6Low81.6Confident112 Ų11267.2 Ų67.278%0.78336%0.364SS*.SBendtrans-59.2-41.7-171.947.80000114.6R83S78-R83 PolarHBondContact O-NH2 3.45Å
79D79.6Confident81.7Confident44 Ų4463 Ų6324%0.23534%0.342CS..  trans-74.3125.7-179.1-175.4-9.1000112L77 V81 L82 R83 Y140L77-D79 PolarHBondContact O-N 3.39Å; D79-V81 PolarHBondContact OD1-N 2.97Å; D79-L82 HydrophobicContact CB-CB 3.95Å; D79-R83 WeakPolarHBondContact O-CB 3.45Å; D79-R83 PolarHBondContact O-N 3.35Å; D79-Y140 WeakPolarHBondContact OD2-CE1 3.25Å
80S81.3Confident81.8Confident79 Ų7959.9 Ų59.955%0.55233%0.328SS*.Hα-helixtrans-70.3-38.6-175.5-62.80000113.2L84S80-L84 WeakPolarHBondContact O-CG 3.49Å; S80-L84 PolarHBondContact O-N 2.9Å; S80-L84 VanDerWaalsContact O-N 3.12Å
81V80.6Confident82Confident67 Ų6761.9 Ų61.941%0.40633%0.334SS..Hα-helixtrans-74.2-47.5-177.3178.90000109.5D79 R83 L84 C85 Y140D79-V81 PolarHBondContact OD1-N 2.97Å; V81-R83 VanDerWaalsContact C-N 3.33Å; V81-R83 PolarHBondContact O-N 3.5Å; V81-L84 PolarHBondContact O-N 3.34Å; V81-C85 PolarHBondContact O-N 3.42Å; V81-Y140 HydrophobicContact CB-CE1 4.45Å; V81-Y140 HydrophobicContact CB-CE2 4.35Å; V81-Y140 HydrophobicContact CG1-CD2 4.18Å; V81-Y140 HydrophobicContact CG1-CE2 4.12Å; V81-Y140 HydrophobicContact CG1-CG 4.45Å
82L81.1Confident82.4Confident18 Ų1862.3 Ų62.39%0.09433%0.334CS..Hα-helixtrans-60.8-42.7176.7-171.659.8000111.7L77 D79 L84 C85 L86 R137L77-L82 HydrophobicContact CD2-CB 4.13Å; L77-L82 HydrophobicContact CD2-CD2 3.54Å; L77-L82 HydrophobicContact CD2-CG 3.59Å; D79-L82 HydrophobicContact CB-CB 3.95Å; L82-L84 PolarHBondContact O-N 3.1Å; L82-C85 PolarHBondContact O-N 3.3Å; L82-L86 HydrophobicContact CD1-CD1 3.83Å; L82-L86 HydrophobicContact CD1-CG 4.08Å; L82-L86 HydrophobicContact CG-CD1 3.8Å; L82-L86 HydrophobicContact CG-CG 4.41Å; L82-L86 VanDerWaalsContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CB 3.48Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.15Å; L82-L86 PolarHBondContact O-N 2.91Å; L82-R137 HydrophobicContact CD1-CB 4.35Å; L82-R137 HydrophobicContact CD1-CG 3.21Å
83R84.8Confident82.5Confident82 Ų8261.2 Ų61.231%0.30933%0.327SS..Hα-helixtrans-56.9-49.3174.3-178.1-171.3-51-176.913.3111.5T74 I75 L77 S78 D79 V81 T87T74-R83 WeakPolarHBondContact O-CG 3.47Å; I75-R83 VanDerWaalsContact O-CD 3.3Å; I75-R83 WeakPolarHBondContact O-CD 3.27Å; I75-R83 PolarHBondContact O-NE 3.07Å; I75-R83 PolarHBondContact O-NH1 3.42Å; L77-R83 HydrophobicContact CB-CB 4.41Å; L77-R83 PolarHBondContact O-NE 3.46Å; L77-R83 PolarHBondContact O-NH2 2.87Å; S78-R83 PolarHBondContact O-NH2 3.45Å; D79-R83 WeakPolarHBondContact O-CB 3.45Å; D79-R83 PolarHBondContact O-N 3.35Å; V81-R83 VanDerWaalsContact C-N 3.33Å; V81-R83 PolarHBondContact O-N 3.5Å; R83-T87 HydrophobicContact CG-CG2 4.18Å; R83-T87 VanDerWaalsContact O-CB 3.25Å; R83-T87 WeakPolarHBondContact O-CB 3.49Å; R83-T87 WeakPolarHBondContact O-CG2 3.35Å; R83-T87 PolarHBondContact O-N 3.18Å; R83-T87 PolarHBondContact O-OG1 3.43Å
84L83.8Confident82.9Confident106 Ų10657.4 Ų57.456%0.55530%0.304SS*.Hα-helixtrans-64.4-47.8-179.5-73.6172.4000111.8S80 V81 L82 L86 T87 I88S80-L84 WeakPolarHBondContact O-CG 3.49Å; S80-L84 PolarHBondContact O-N 2.9Å; S80-L84 VanDerWaalsContact O-N 3.12Å; V81-L84 PolarHBondContact O-N 3.34Å; L82-L84 PolarHBondContact O-N 3.1Å; L84-L86 PolarHBondContact O-N 3.28Å; L84-T87 PolarHBondContact O-OG1 3.02Å; L84-T87 VanDerWaalsContact O-OG1 3.11Å; L84-I88 WeakPolarHBondContact O-CB 3.42Å; L84-I88 VanDerWaalsContact O-CG1 3.23Å; L84-I88 WeakPolarHBondContact O-CG1 3.41Å; L84-I88 PolarHBondContact O-N 2.9Å
85C83.9Confident83.5Confident17 Ų1760 Ų6012%0.11532%0.316CS..Hα-helixtrans-58.8-47.5178.8-74.20000112V81 L82 G89 R137V81-C85 PolarHBondContact O-N 3.42Å; L82-C85 PolarHBondContact O-N 3.3Å; C85-G89 WeakPolarHBondContact O-CA 3.45Å; C85-G89 PolarHBondContact O-N 3.42Å; C85-R137 HydrophobicContact CB-CB 4.31Å
86L84.8Confident84.1Confident16 Ų1656.5 Ų56.58%0.08430%0.297CS..Hα-helixtrans-72.9-40.8-177.6-69.6176.7000112.5T74 L77 L82 L84 G89 H90 R137T74-L86 HydrophobicContact CG2-CB 3.3Å; T74-L86 HydrophobicContact CG2-CD1 4.09Å; T74-L86 HydrophobicContact CG2-CG 4.36Å; L77-L86 HydrophobicContact CD2-CD1 4.1Å; L82-L86 HydrophobicContact CD1-CD1 3.83Å; L82-L86 HydrophobicContact CD1-CG 4.08Å; L82-L86 HydrophobicContact CG-CD1 3.8Å; L82-L86 HydrophobicContact CG-CG 4.41Å; L82-L86 VanDerWaalsContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CB 3.48Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.15Å; L82-L86 PolarHBondContact O-N 2.91Å; L84-L86 PolarHBondContact O-N 3.28Å; L86-G89 PolarHBondContact O-N 2.89Å; L86-H90 WeakPolarHBondContact O-CB 3.41Å; L86-H90 PolarHBondContact O-CD2 3.04Å; L86-H90 PolarHBondContact O-N 3.36Å; L86-R137 HydrophobicContact CD2-CG 3.94Å; L86-R137 HydrophobicContact CG-CG 4.23Å
87T85.6Confident84.6Confident24 Ų2449.7 Ų49.715%0.14727%0.265CS..Hα-helixtrans-63.5-48.3178.350.60000111.5T74 I75 R83 L84 G89 H90 L91T74-T87 HydrophobicContact CG2-CG2 3.76Å; I75-T87 HydrophobicContact CG1-CG2 3.81Å; R83-T87 HydrophobicContact CG-CG2 4.18Å; R83-T87 VanDerWaalsContact O-CB 3.25Å; R83-T87 WeakPolarHBondContact O-CB 3.49Å; R83-T87 WeakPolarHBondContact O-CG2 3.35Å; R83-T87 PolarHBondContact O-N 3.18Å; R83-T87 PolarHBondContact O-OG1 3.43Å; L84-T87 PolarHBondContact O-OG1 3.02Å; L84-T87 VanDerWaalsContact O-OG1 3.11Å; T87-G89 VanDerWaalsContact C-N 3.32Å; T87-G89 PolarHBondContact O-N 3.45Å; T87-H90 PolarHBondContact O-N 3.1Å; T87-L91 WeakPolarHBondContact O-CB 2.98Å; T87-L91 PolarHBondContact O-N 3.27Å
88I88.1Confident85.2Confident77 Ų7750 Ų5040%0.39527%0.273SS..Hα-helixtrans-66.7-38177.4-59.4170.9000109.9L84 L91 N92 L133L84-I88 WeakPolarHBondContact O-CB 3.42Å; L84-I88 VanDerWaalsContact O-CG1 3.23Å; L84-I88 WeakPolarHBondContact O-CG1 3.41Å; L84-I88 PolarHBondContact O-N 2.9Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 2.98Å; I88-N92 PolarHBondContact O-ND2 3.49Å; I88-L133 HydrophobicContact CB-CD1 3.89Å; I88-L133 HydrophobicContact CG2-CD1 3.49Å; I88-L133 VanDerWaalsContact CG2-CD1 3.49Å
89G87.1Confident86.2Confident2 Ų245.2 Ų45.22%0.02124%0.24CC..Hα-helixtrans-60-48.1175.300000112.6C85 L86 T87 N92 R93C85-G89 WeakPolarHBondContact O-CA 3.45Å; C85-G89 PolarHBondContact O-N 3.42Å; L86-G89 PolarHBondContact O-N 2.89Å; T87-G89 VanDerWaalsContact C-N 3.32Å; T87-G89 PolarHBondContact O-N 3.45Å; G89-N92 PolarHBondContact O-N 2.99Å; G89-R93 WeakPolarHBondContact O-CB 3.43Å; G89-R93 PolarHBondContact O-N 2.93Å
90H89.1Confident86.7Confident50 Ų5043.3 Ų43.323%0.23123%0.23CC..Hα-helixtrans-65.7-37.8176.4-73.8-53000112.6A71 T74 L86 T87 R93 A94A71-H90 HydrophobicContact CB-CB 3.67Å; T74-H90 PolarHBondContact OG1-CD2 3.08Å; L86-H90 WeakPolarHBondContact O-CB 3.41Å; L86-H90 PolarHBondContact O-CD2 3.04Å; L86-H90 PolarHBondContact O-N 3.36Å; T87-H90 PolarHBondContact O-N 3.1Å; H90-R93 WeakPolarHBondContact O-CB 3.08Å; H90-R93 PolarHBondContact O-N 2.95Å; H90-A94 PolarHBondContact O-N 3.45Å
91L87.9Confident87.1Confident73 Ų7341.1 Ų41.138%0.38221%0.211SC..Hα-helixtrans-64.7-46.5175.6-175.665.1000111.9L68 T87 I88 R93 A94 M95L68-L91 HydrophobicContact CD2-CD1 4.13Å; T87-L91 WeakPolarHBondContact O-CB 2.98Å; T87-L91 PolarHBondContact O-N 3.27Å; I88-L91 PolarHBondContact O-N 3.45Å; L91-R93 PolarHBondContact O-N 3.06Å; L91-A94 WeakPolarHBondContact O-CB 3.47Å; L91-A94 PolarHBondContact O-N 2.84Å; L91-A94 VanDerWaalsContact O-N 3.1Å; L91-M95 HydrophobicContact CD1-CE 4.42Å; L91-M95 HydrophobicContact CD2-CE 4.31Å; L91-M95 HydrophobicContact CG-CE 4.11Å; L91-M95 PolarHBondContact O-N 3.32Å
92N90.4Very high87.5Confident22 Ų2239.8 Ų39.812%0.11820%0.204CC..Hα-helixtrans-60.1-37.4174.6-78.8-31.5000111.4I88 G89 M95 Y96 A130I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 2.98Å; I88-N92 PolarHBondContact O-ND2 3.49Å; G89-N92 PolarHBondContact O-N 2.99Å; N92-M95 PolarHBondContact O-N 3.2Å; N92-Y96 WeakPolarHBondContact O-CB 3.32Å; N92-Y96 PolarHBondContact O-N 2.93Å; N92-A130 HydrophobicContact CB-CB 3.88Å
93R87.3Confident87.8Confident108 Ų10839.1 Ų39.141%0.40820%0.2SC..Hα-helixtrans-67.2-36.5174.9-167.3168.5-176.8144.2-1.5112.7G89 H90 L91 Y96 F97G89-R93 WeakPolarHBondContact O-CB 3.43Å; G89-R93 PolarHBondContact O-N 2.93Å; H90-R93 WeakPolarHBondContact O-CB 3.08Å; H90-R93 PolarHBondContact O-N 2.95Å; L91-R93 PolarHBondContact O-N 3.06Å; R93-Y96 WeakPolarHBondContact O-CB 3.34Å; R93-Y96 PolarHBondContact O-N 2.86Å; R93-F97 HydrophobicContact CG-CD2 4.04Å; R93-F97 HydrophobicContact CG-CE2 3.58Å; R93-F97 HydrophobicContact CG-CZ 4.33Å; R93-F97 WeakPolarHBondContact O-CD2 3.33Å; R93-F97 PolarHBondContact O-N 3.09Å; R93-F97 VanDerWaalsContact O-N 3.07Å
94A89.8Confident88.1Confident7 Ų737.3 Ų37.36%0.05819%0.193CC..Hα-helixtrans-63.7-44.3172.500000111.5A67 L68 H90 L91 F97 A98A67-A94 HydrophobicContact CB-CB 3.86Å; L68-A94 HydrophobicContact CD2-CB 3.94Å; L68-A94 HydrophobicContact CG-CB 3.86Å; H90-A94 PolarHBondContact O-N 3.45Å; L91-A94 WeakPolarHBondContact O-CB 3.47Å; L91-A94 PolarHBondContact O-N 2.84Å; L91-A94 VanDerWaalsContact O-N 3.1Å; A94-F97 PolarHBondContact O-N 3.23Å; A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 2.89Å
95M89.2Confident88.2Confident72 Ų7232.9 Ų32.936%0.35517%0.172SC..Hα-helixtrans-63.4-39.9175.4-66.7-172-17300112.3L91 N92 A98 C99 Y126L91-M95 HydrophobicContact CD1-CE 4.42Å; L91-M95 HydrophobicContact CD2-CE 4.31Å; L91-M95 HydrophobicContact CG-CE 4.11Å; L91-M95 PolarHBondContact O-N 3.32Å; N92-M95 PolarHBondContact O-N 3.2Å; M95-A98 PolarHBondContact O-N 3.49Å; M95-C99 PolarHBondContact O-N 3.08Å; M95-C99 PolarHBondContact O-SG 3.46Å; M95-Y126 HydrophobicContact CB-CD1 4.14Å; M95-Y126 HydrophobicContact CB-CD2 4.12Å; M95-Y126 HydrophobicContact CB-CE1 4.38Å; M95-Y126 HydrophobicContact CB-CE2 4.35Å; M95-Y126 HydrophobicContact CB-CG 4.02Å; M95-Y126 HydrophobicContact SD-CD1 4.08Å; M95-Y126 HydrophobicContact SD-CE1 3.6Å; M95-Y126 VanDerWaalsContact SD-CE1 3.6Å
96Y89.7Confident88.4Confident19 Ų1932.4 Ų32.48%0.07517%0.17CC..Hα-helixtrans-55.6-53.4173.3164.2-106.5000111.4R60 N92 R93 A98 C99 D100 S123 Y127R60-Y96 PolarHBondContact NH1-OH 2.98Å; N92-Y96 WeakPolarHBondContact O-CB 3.32Å; N92-Y96 PolarHBondContact O-N 2.93Å; R93-Y96 WeakPolarHBondContact O-CB 3.34Å; R93-Y96 PolarHBondContact O-N 2.86Å; Y96-A98 PolarHBondContact O-N 3.02Å; Y96-C99 PolarHBondContact O-N 2.64Å; Y96-D100 PolarHBondContact O-N 3.02Å; Y96-S123 VanDerWaalsContact CD2-O 3.32Å; Y96-S123 WeakPolarHBondContact CD2-O 3.15Å; Y96-S123 WeakPolarHBondContact CD2-OG 3.26Å; Y96-S123 WeakPolarHBondContact CE2-OG 3.41Å; Y96-S123 PolarHBondContact O-OG 3.05Å; Y96-Y127 HydrophobicContact CD1-CD2 4.28Å; Y96-Y127 HydrophobicContact CD2-CD2 4.27Å; Y96-Y127 HydrophobicContact CD2-CG 4.3Å; Y96-Y127 HydrophobicContact CE1-CD2 4.2Å; Y96-Y127 HydrophobicContact CE2-CD2 4.2Å; Y96-Y127 HydrophobicContact CE2-CG 4.19Å; Y96-Y127 HydrophobicContact CG-CD2 4.3Å
97F88.7Confident88.5Confident11 Ų1136.4 Ų36.45%0.04819%0.187CC..Hα-helixtrans-65.3-37.8179.7-71.6-52.6000112.2R60 N63 R93 A94 C99 D100 N101R60-F97 HydrophobicContact CB-CD1 4.21Å; R60-F97 HydrophobicContact CB-CE1 4.22Å; R60-F97 HydrophobicContact CG-CE1 4.1Å; N63-F97 HydrophobicContact CB-CD1 4.19Å; N63-F97 HydrophobicContact CB-CD2 3.74Å; N63-F97 HydrophobicContact CB-CE1 4.19Å; N63-F97 HydrophobicContact CB-CE2 3.71Å; N63-F97 HydrophobicContact CB-CG 3.99Å; N63-F97 HydrophobicContact CB-CZ 3.96Å; R93-F97 HydrophobicContact CG-CD2 4.04Å; R93-F97 HydrophobicContact CG-CE2 3.58Å; R93-F97 HydrophobicContact CG-CZ 4.33Å; R93-F97 WeakPolarHBondContact O-CD2 3.33Å; R93-F97 PolarHBondContact O-N 3.09Å; R93-F97 VanDerWaalsContact O-N 3.07Å; A94-F97 PolarHBondContact O-N 3.23Å; F97-C99 VanDerWaalsContact C-N 3.34Å; F97-C99 PolarHBondContact O-N 3.07Å; F97-D100 PolarHBondContact O-N 2.69Å; F97-N101 PolarHBondContact O-N 3.47Å; F97-N101 PolarHBondContact O-ND2 3.39Å; F97-N101 PolarHBondContact O-OD1 3.47Å; F97-N101 VanDerWaalsContact O-OD1 3.1Å
98A89Confident88.5Confident45 Ų4539.7 Ų39.737%0.37220%0.202SC..Hα-helixtrans-59.2-45.8174.400000111.6A94 M95 Y96 N101 V102A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 2.89Å; M95-A98 PolarHBondContact O-N 3.49Å; Y96-A98 PolarHBondContact O-N 3.02Å; A98-N101 PolarHBondContact O-N 3.2Å; A98-V102 WeakPolarHBondContact O-CG2 3.33Å; A98-V102 PolarHBondContact O-N 3.27Å
99C88.2Confident88.2Confident11 Ų1138 Ų387%0.07421%0.205CC..Hα-helixtrans-65.3-38.1175.4-65.30000112.2M95 Y96 F97 N101 V102 V103 W119M95-C99 PolarHBondContact O-N 3.08Å; M95-C99 PolarHBondContact O-SG 3.46Å; Y96-C99 PolarHBondContact O-N 2.64Å; F97-C99 VanDerWaalsContact C-N 3.34Å; F97-C99 PolarHBondContact O-N 3.07Å; C99-N101 VanDerWaalsContact C-N 3.34Å; C99-N101 PolarHBondContact O-N 3.17Å; C99-V102 PolarHBondContact O-N 3.48Å; C99-V103 WeakPolarHBondContact O-CG2 3.38Å; C99-V103 PolarHBondContact O-N 3.02Å; C99-W119 HydrophobicContact CB-CE3 4.4Å
100D89.1Confident88.1Confident4 Ų443.5 Ų43.52%0.02123%0.232CC..Hα-helixtrans-64.2-39.2178.1-162.739.1000111.6K57 R60 Y96 F97 V102 V103 W104K57-D100 WeakPolarHBondContact CE-OD1 3.22Å; K57-D100 IonicContact NZ-OD1 3.19Å; K57-D100 PolarHBondContact NZ-OD1 3.3Å; R60-D100 IonicContact NH1-OD2 3.75Å; Y96-D100 PolarHBondContact O-N 3.02Å; F97-D100 PolarHBondContact O-N 2.69Å; D100-V102 VanDerWaalsContact C-N 3.35Å; D100-V102 PolarHBondContact O-N 3.08Å; D100-V103 PolarHBondContact O-N 3.37Å; D100-W104 WeakPolarHBondContact O-CB 3.15Å; D100-W104 PolarHBondContact O-N 3.48Å
101N90.3Very high87.8Confident32 Ų3244.5 Ų44.517%0.17124%0.239CC..Hα-helixtrans-63.6-40175.1-61.6-11.1000111.6L61 F97 A98 C99 W104 A105L61-N101 HydrophobicContact CD2-CB 3.98Å; L61-N101 WeakPolarHBondContact CD2-OD1 3.41Å; F97-N101 PolarHBondContact O-N 3.47Å; F97-N101 PolarHBondContact O-ND2 3.39Å; F97-N101 PolarHBondContact O-OD1 3.47Å; F97-N101 VanDerWaalsContact O-OD1 3.1Å; A98-N101 PolarHBondContact O-N 3.2Å; C99-N101 VanDerWaalsContact C-N 3.34Å; C99-N101 PolarHBondContact O-N 3.17Å; N101-W104 PolarHBondContact O-N 3.5Å; N101-A105 WeakPolarHBondContact O-CB 3.38Å; N101-A105 PolarHBondContact O-N 2.96Å
102V89.3Confident86.9Confident40 Ų4046.5 Ų46.524%0.24226%0.258CS..Hα-helixtrans-64.5-43.3175.4173.30000111A98 C99 D100 W104 A105 G106 L114 W119A98-V102 WeakPolarHBondContact O-CG2 3.33Å; A98-V102 PolarHBondContact O-N 3.27Å; C99-V102 PolarHBondContact O-N 3.48Å; D100-V102 VanDerWaalsContact C-N 3.35Å; D100-V102 PolarHBondContact O-N 3.08Å; V102-W104 VanDerWaalsContact C-N 3.34Å; V102-W104 PolarHBondContact O-N 2.96Å; V102-A105 PolarHBondContact O-N 3.02Å; V102-G106 PolarHBondContact O-N 3.23Å; V102-L114 HydrophobicContact CG1-CD1 3.42Å; V102-L114 VanDerWaalsContact CG1-CD1 3.42Å; V102-L114 HydrophobicContact CG1-CD2 3.87Å; V102-L114 HydrophobicContact CG1-CG 4.27Å; V102-W119 HydrophobicContact CB-CE3 4.43Å; V102-W119 HydrophobicContact CG1-CD2 3.89Å; V102-W119 HydrophobicContact CG1-CE3 4.15Å; V102-W119 HydrophobicContact CG1-CG 4.18Å; V102-W119 HydrophobicContact CG1-CZ2 4.46Å
103V88.6Confident86.4Confident3 Ų355.4 Ų55.42%0.01830%0.296CS..Hα-helixtrans-63.1-41.6175.4173.10000111.1C99 D100 G106 K107 W119 N120C99-V103 WeakPolarHBondContact O-CG2 3.38Å; C99-V103 PolarHBondContact O-N 3.02Å; D100-V103 PolarHBondContact O-N 3.37Å; V103-G106 PolarHBondContact O-N 3.26Å; V103-K107 PolarHBondContact O-N 3.47Å; V103-W119 HydrophobicContact CG2-CB 3.58Å; V103-N120 HydrophobicContact CG2-CB 4.43Å
104W89.4Confident86.2Confident44 Ų4451.9 Ų51.917%0.16729%0.285CS..Hα-helixtrans-61.6-46.2175.9174.585.4000112K57 L58 L61 D100 N101 V102 G106 K107 I108 I110K57-W104 HydrophobicContact CB-CB 4.1Å; K57-W104 HydrophobicContact CB-CG 4.17Å; K57-W104 HydrophobicContact CD-CB 4.38Å; L58-W104 HydrophobicContact CD1-CH2 4.1Å; L58-W104 HydrophobicContact CD1-CZ2 3.33Å; L58-W104 HydrophobicContact CG-CZ2 4.48Å; L61-W104 HydrophobicContact CD1-CE3 4.29Å; L61-W104 HydrophobicContact CD1-CH2 3.86Å; L61-W104 HydrophobicContact CD1-CZ2 4.11Å; L61-W104 HydrophobicContact CD1-CZ3 3.95Å; L61-W104 HydrophobicContact CD2-CE3 4.1Å; L61-W104 HydrophobicContact CD2-CZ3 4.38Å; D100-W104 WeakPolarHBondContact O-CB 3.15Å; D100-W104 PolarHBondContact O-N 3.48Å; N101-W104 PolarHBondContact O-N 3.5Å; V102-W104 VanDerWaalsContact C-N 3.34Å; V102-W104 PolarHBondContact O-N 2.96Å; W104-G106 VanDerWaalsContact C-N 3.29Å; W104-G106 PolarHBondContact O-N 2.9Å; W104-K107 PolarHBondContact O-N 3.47Å; W104-K107 VanDerWaalsContact O-N 3.08Å; W104-I108 HydrophobicContact CD2-CD1 3.75Å; W104-I108 HydrophobicContact CE3-CD1 4.21Å; W104-I108 HydrophobicContact CG-CD1 4.41Å; W104-I108 HydrophobicContact CH2-CD1 3.55Å; W104-I108 HydrophobicContact CZ2-CD1 2.99Å; W104-I108 HydrophobicContact CZ2-CG1 4.47Å; W104-I108 HydrophobicContact CZ3-CD1 4.12Å; W104-I108 PolarHBondContact O-N 3.28Å; W104-I108 VanDerWaalsContact O-N 3.16Å; W104-I110 HydrophobicContact CZ3-CD1 4.39Å
105A87.6Confident86Confident14 Ų1454.4 Ų54.412%0.11630%0.298CS..Hα-helixtrans-61.3-37.7176.300000112.3N101 V102 I108 G109 I110 I111N101-A105 WeakPolarHBondContact O-CB 3.38Å; N101-A105 PolarHBondContact O-N 2.96Å; V102-A105 PolarHBondContact O-N 3.02Å; A105-I108 PolarHBondContact O-N 2.91Å; A105-G109 PolarHBondContact O-N 2.87Å; A105-I110 HydrophobicContact CB-CB 4.37Å; A105-I110 HydrophobicContact CB-CD1 4.4Å; A105-I110 PolarHBondContact O-N 2.89Å; A105-I110 VanDerWaalsContact O-N 3.12Å; A105-I111 HydrophobicContact CB-CD1 4.16Å; A105-I111 HydrophobicContact CB-CG1 4.46Å
106G87.7Confident85.9Confident7 Ų754.7 Ų54.77%0.07230%0.298CS..Hα-helixtrans-63.6-37.5172.800000113.3V102 V103 W104 G109V102-G106 PolarHBondContact O-N 3.23Å; V103-G106 PolarHBondContact O-N 3.26Å; W104-G106 VanDerWaalsContact C-N 3.29Å; W104-G106 PolarHBondContact O-N 2.9Å; G106-G109 PolarHBondContact O-N 2.81Å
107K85.7Confident85.7Confident99 Ų9961.6 Ų61.643%0.4333%0.331SS..Hα-helixtrans-71.9-28.8178.6-75-167.5177.5-165.10113.9L54 V103 W104 G109L54-K107 HydrophobicContact CD2-CB 4.04Å; L54-K107 HydrophobicContact CD2-CD 3.54Å; L54-K107 HydrophobicContact CD2-CG 4.45Å; V103-K107 PolarHBondContact O-N 3.47Å; W104-K107 PolarHBondContact O-N 3.47Å; W104-K107 VanDerWaalsContact O-N 3.08Å; K107-G109 VanDerWaalsContact C-N 3.27Å
108I85.8Confident85.7Confident93 Ų9367.3 Ų67.348%0.47736%0.356SS..Hα-helixtrans-81.7-10.9176.5-69.1171.8000111.8W104 A105 I110W104-I108 HydrophobicContact CD2-CD1 3.75Å; W104-I108 HydrophobicContact CE3-CD1 4.21Å; W104-I108 HydrophobicContact CG-CD1 4.41Å; W104-I108 HydrophobicContact CH2-CD1 3.55Å; W104-I108 HydrophobicContact CZ2-CD1 2.99Å; W104-I108 HydrophobicContact CZ2-CG1 4.47Å; W104-I108 HydrophobicContact CZ3-CD1 4.12Å; W104-I108 PolarHBondContact O-N 3.28Å; W104-I108 VanDerWaalsContact O-N 3.16Å; A105-I108 PolarHBondContact O-N 2.91Å; I108-I110 HydrophobicContact CB-CG1 4.39Å; I108-I110 HydrophobicContact CG2-CD1 4.24Å; I108-I110 HydrophobicContact CG2-CG1 4.01Å
109G82.7Confident85.7Confident43 Ų4369.1 Ų69.144%0.44335%0.353SS..THydrogen-bonded Turntrans87.78.4179.500000114.1A105 G106 K107 I111A105-G109 PolarHBondContact O-N 2.87Å; G106-G109 PolarHBondContact O-N 2.81Å; K107-G109 VanDerWaalsContact C-N 3.27Å; G109-I111 PolarHBondContact O-N 3.3Å
110I84.9Confident85.7Confident116 Ų11671.3 Ų71.360%0.59536%0.364SS*.SBendtrans-62-36.5173.4-58.4174.7000110.1W104 A105 I108W104-I110 HydrophobicContact CZ3-CD1 4.39Å; A105-I110 HydrophobicContact CB-CB 4.37Å; A105-I110 HydrophobicContact CB-CD1 4.4Å; A105-I110 PolarHBondContact O-N 2.89Å; A105-I110 VanDerWaalsContact O-N 3.12Å; I108-I110 HydrophobicContact CB-CG1 4.39Å; I108-I110 HydrophobicContact CG2-CD1 4.24Å; I108-I110 HydrophobicContact CG2-CG1 4.01Å
111I83.1Confident85.8Confident72 Ų7274.4 Ų74.437%0.36938%0.378SS..SBendtrans-118.697.2177.8-51.8173.2000108.9A105 G109 K113 L114A105-I111 HydrophobicContact CB-CD1 4.16Å; A105-I111 HydrophobicContact CB-CG1 4.46Å; G109-I111 PolarHBondContact O-N 3.3Å; I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.44Å; I111-L114 HydrophobicContact CB-CB 4.27Å; I111-L114 HydrophobicContact CD1-CD1 4.21Å; I111-L114 HydrophobicContact CG2-CB 3.85Å; I111-L114 HydrophobicContact CG2-CD1 3.97Å
112S69.6Low85.7Confident114 Ų11479.3 Ų79.380%0.79740%0.395SS*.THydrogen-bonded Turntrans-73.6-16.4-169.3-38.20000115
113K77.9Confident85.7Confident210 Ų21077.5 Ų77.591%0.91338%0.384SS*.THydrogen-bonded Turntrans-119.130.9-179.5-67.4-172.6179.5179.90113.6I111I111-K113 VanDerWaalsContact C-N 3.33Å; I111-K113 PolarHBondContact O-N 3.44Å
114L83.9Confident85.8Confident33 Ų3378.8 Ų78.817%0.17339%0.389CS..  trans-83.5127.5179-163101.9000111.6V102 I111 Q116 W119V102-L114 HydrophobicContact CG1-CD1 3.42Å; V102-L114 VanDerWaalsContact CG1-CD1 3.42Å; V102-L114 HydrophobicContact CG1-CD2 3.87Å; V102-L114 HydrophobicContact CG1-CG 4.27Å; I111-L114 HydrophobicContact CB-CB 4.27Å; I111-L114 HydrophobicContact CD1-CD1 4.21Å; I111-L114 HydrophobicContact CG2-CB 3.85Å; I111-L114 HydrophobicContact CG2-CD1 3.97Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-Q116 HydrophobicContact CD2-CG 4.36Å; L114-Q116 PolarHBondContact O-N 2.64Å; L114-W119 HydrophobicContact CD2-CB 4.43Å; L114-W119 HydrophobicContact CD2-CG 4.14Å; L114-W119 HydrophobicContact CG-CG 4.47Å
115D86.5Confident85.8Confident61 Ų6183 Ų8333%0.32641%0.405SS..  trans-73.186.9168.2-170-31.5000110.7Q117 K118 W119D115-Q117 PolarHBondContact O-N 3.39Å; D115-Q117 PolarHBondContact OD1-N 3.33Å; D115-K118 HydrophobicContact CB-CB 4.17Å; D115-K118 HydrophobicContact CB-CD 4.09Å; D115-K118 HydrophobicContact CB-CG 4.28Å; D115-K118 VanDerWaalsContact CG-CG 3.47Å; D115-K118 PolarHBondContact O-N 3.31Å; D115-K118 PolarHBondContact OD1-N 2.71Å; D115-K118 WeakPolarHBondContact OD2-CD 3.42Å; D115-K118 WeakPolarHBondContact OD2-CE 3.43Å; D115-K118 VanDerWaalsContact OD2-CG 3.28Å; D115-K118 WeakPolarHBondContact OD2-CG 3.46Å; D115-K118 IonicContact OD2-NZ 3.71Å; D115-K118 PolarHBondContact OD2-NZ 2.97Å; D115-W119 PolarHBondContact O-N 3.39Å
116Q85.6Confident86Confident78 Ų7886.1 Ų86.136%0.36441%0.414SS..Hα-helixtrans-57.4-35.4-176.6-62.8-176.216.100112.4L114 N120L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-Q116 HydrophobicContact CD2-CG 4.36Å; L114-Q116 PolarHBondContact O-N 2.64Å; Q116-N120 WeakPolarHBondContact O-CB 3.41Å; Q116-N120 PolarHBondContact O-N 3.11Å
117Q86.1Confident86.2Confident164 Ų16487.2 Ų87.277%0.76642%0.416SS*.Hα-helixtrans-67.1-46-179-71.6-170.2-13.300111.3D115 W119 N120 H121D115-Q117 PolarHBondContact O-N 3.39Å; D115-Q117 PolarHBondContact OD1-N 3.33Å; Q117-W119 PolarHBondContact O-N 3.43Å; Q117-N120 PolarHBondContact O-N 2.67Å; Q117-H121 WeakPolarHBondContact O-CB 3.23Å; Q117-H121 PolarHBondContact O-N 2.88Å
118K89.1Confident86.4Confident130 Ų13083.6 Ų83.657%0.56540%0.402SS*.Hα-helixtrans-59.8-45.5177.4-75.2-179.7-173131.80112.4D115 H121 R122D115-K118 HydrophobicContact CB-CB 4.17Å; D115-K118 HydrophobicContact CB-CD 4.09Å; D115-K118 HydrophobicContact CB-CG 4.28Å; D115-K118 VanDerWaalsContact CG-CG 3.47Å; D115-K118 PolarHBondContact O-N 3.31Å; D115-K118 PolarHBondContact OD1-N 2.71Å; D115-K118 WeakPolarHBondContact OD2-CD 3.42Å; D115-K118 WeakPolarHBondContact OD2-CE 3.43Å; D115-K118 VanDerWaalsContact OD2-CG 3.28Å; D115-K118 WeakPolarHBondContact OD2-CG 3.46Å; D115-K118 IonicContact OD2-NZ 3.71Å; D115-K118 PolarHBondContact OD2-NZ 2.97Å; K118-H121 PolarHBondContact O-N 3.43Å; K118-R122 WeakPolarHBondContact O-CG 3.02Å; K118-R122 PolarHBondContact O-N 3.23Å
119W89.1Confident86.6Confident84 Ų8484.9 Ų84.932%0.31840%0.404SS..Hα-helixtrans-69.1-37.8-179.7-74.1100.7000112.4C99 V102 V103 L114 D115 Q117 R122 S123C99-W119 HydrophobicContact CB-CE3 4.4Å; V102-W119 HydrophobicContact CB-CE3 4.43Å; V102-W119 HydrophobicContact CG1-CD2 3.89Å; V102-W119 HydrophobicContact CG1-CE3 4.15Å; V102-W119 HydrophobicContact CG1-CG 4.18Å; V102-W119 HydrophobicContact CG1-CZ2 4.46Å; V103-W119 HydrophobicContact CG2-CB 3.58Å; L114-W119 HydrophobicContact CD2-CB 4.43Å; L114-W119 HydrophobicContact CD2-CG 4.14Å; L114-W119 HydrophobicContact CG-CG 4.47Å; D115-W119 PolarHBondContact O-N 3.39Å; Q117-W119 PolarHBondContact O-N 3.43Å; W119-R122 PolarHBondContact O-N 3.47Å; W119-S123 WeakPolarHBondContact O-CB 3.34Å; W119-S123 PolarHBondContact O-N 3.22Å
120N88.3Confident86.9Confident57 Ų5783.1 Ų83.131%0.30539%0.385SS..Hα-helixtrans-64.5-42.8174.4-164.245.8000111.2V103 Q116 Q117 R122 S123 F124V103-N120 HydrophobicContact CG2-CB 4.43Å; Q116-N120 WeakPolarHBondContact O-CB 3.41Å; Q116-N120 PolarHBondContact O-N 3.11Å; Q117-N120 PolarHBondContact O-N 2.67Å; N120-R122 PolarHBondContact O-N 3.12Å; N120-S123 WeakPolarHBondContact O-CB 3.38Å; N120-S123 PolarHBondContact O-N 2.98Å; N120-F124 WeakPolarHBondContact ND2-CE2 3.48Å; N120-F124 WeakPolarHBondContact O-CD2 3.31Å; N120-F124 PolarHBondContact O-N 3.39Å; N120-F124 WeakPolarHBondContact OD1-CE2 3.15Å
121H90.1Very high87.1Confident68 Ų6877.8 Ų77.832%0.31536%0.358SS..Hα-helixtrans-61.1-45.2175.9-164.767.4000112.1Q117 K118 F124 R125 L200Q117-H121 WeakPolarHBondContact O-CB 3.23Å; Q117-H121 PolarHBondContact O-N 2.88Å; K118-H121 PolarHBondContact O-N 3.43Å; H121-F124 PolarHBondContact O-N 3.06Å; H121-R125 PolarHBondContact CD2-NE 2.95Å; H121-R125 PolarHBondContact NE2-NE 3.44Å; H121-R125 PolarHBondContact NE2-NH2 3.36Å; H121-R125 VanDerWaalsContact NE2-NH2 3.18Å; H121-R125 WeakPolarHBondContact O-CG 3.45Å; H121-R125 PolarHBondContact O-N 3.39Å; H121-R125 VanDerWaalsContact O-N 3.1Å; H121-L200 VanDerWaalsContact CE1-CD2 3.43Å; H121-L200 WeakPolarHBondContact CE1-CD2 3.24Å; H121-L200 WeakPolarHBondContact ND1-CD2 3.49Å
122R89.1Confident87.4Confident136 Ų13677.9 Ų77.951%0.51336%0.358SS..Hα-helixtrans-62.5-43.9175.6-73.2179.5-179.9-163.9-1.1112K118 W119 N120 F124 R125 Y126K118-R122 WeakPolarHBondContact O-CG 3.02Å; K118-R122 PolarHBondContact O-N 3.23Å; W119-R122 PolarHBondContact O-N 3.47Å; N120-R122 PolarHBondContact O-N 3.12Å; R122-F124 VanDerWaalsContact C-N 3.35Å; R122-F124 PolarHBondContact O-N 2.89Å; R122-R125 WeakPolarHBondContact O-CB 3.23Å; R122-R125 PolarHBondContact O-N 3.35Å; R122-Y126 HydrophobicContact CB-CE2 4.48Å; R122-Y126 WeakPolarHBondContact O-CD2 3.43Å; R122-Y126 PolarHBondContact O-N 3.36Å; R122-Y126 VanDerWaalsContact O-N 3.1Å
123S89.6Confident88.3Confident2 Ų274.1 Ų74.11%0.01433%0.329CS..Hα-helixtrans-55.4-50.4175.7-173.50000110.6Y96 W119 N120 R125 Y126 Y127Y96-S123 VanDerWaalsContact CD2-O 3.32Å; Y96-S123 WeakPolarHBondContact CD2-O 3.15Å; Y96-S123 WeakPolarHBondContact CD2-OG 3.26Å; Y96-S123 WeakPolarHBondContact CE2-OG 3.41Å; Y96-S123 PolarHBondContact O-OG 3.05Å; W119-S123 WeakPolarHBondContact O-CB 3.34Å; W119-S123 PolarHBondContact O-N 3.22Å; N120-S123 WeakPolarHBondContact O-CB 3.38Å; N120-S123 PolarHBondContact O-N 2.98Å; S123-R125 VanDerWaalsContact C-N 3.31Å; S123-R125 PolarHBondContact O-N 3.49Å; S123-Y126 PolarHBondContact O-N 3.17Å; S123-Y127 PolarHBondContact O-N 3.2Å
124F89.6Confident88.7Confident30 Ų3065.3 Ų65.313%0.13229%0.292CS..Hα-helixtrans-63.5-31.5178.4-74.3-59.3000114.2N120 H121 R122 Y127 L128 P196 K199 L200N120-F124 WeakPolarHBondContact ND2-CE2 3.48Å; N120-F124 WeakPolarHBondContact O-CD2 3.31Å; N120-F124 PolarHBondContact O-N 3.39Å; N120-F124 WeakPolarHBondContact OD1-CE2 3.15Å; H121-F124 PolarHBondContact O-N 3.06Å; R122-F124 VanDerWaalsContact C-N 3.35Å; R122-F124 PolarHBondContact O-N 2.89Å; F124-Y127 PolarHBondContact O-N 3Å; F124-L128 WeakPolarHBondContact O-CB 3.42Å; F124-L128 PolarHBondContact O-N 3.05Å; F124-P196 HydrophobicContact CB-CB 4.49Å; F124-P196 HydrophobicContact CD1-CB 4.34Å; F124-K199 HydrophobicContact CD1-CB 4.19Å; F124-K199 HydrophobicContact CD2-CB 3.77Å; F124-K199 HydrophobicContact CD2-CG 4.41Å; F124-K199 HydrophobicContact CE1-CB 4.22Å; F124-K199 HydrophobicContact CE1-CG 4.06Å; F124-K199 HydrophobicContact CE2-CB 3.78Å; F124-K199 HydrophobicContact CE2-CD 4.35Å; F124-K199 HydrophobicContact CE2-CG 3.93Å; F124-K199 HydrophobicContact CG-CB 4Å; F124-K199 HydrophobicContact CZ-CB 4.02Å; F124-K199 HydrophobicContact CZ-CD 4.34Å; F124-K199 HydrophobicContact CZ-CG 3.75Å; F124-L200 HydrophobicContact CB-CD1 4.49Å; F124-L200 HydrophobicContact CB-CD2 3.83Å; F124-L200 HydrophobicContact CB-CG 4Å
125R91.1Very high88.9Confident132 Ų13265.5 Ų65.550%0.49829%0.294SS..Hα-helixtrans-63.8-49.6172.7-70.7179.4178-170.6-6.4111.8H121 R122 S123 Y127 L128 F129 L200H121-R125 PolarHBondContact CD2-NE 2.95Å; H121-R125 PolarHBondContact NE2-NE 3.44Å; H121-R125 PolarHBondContact NE2-NH2 3.36Å; H121-R125 VanDerWaalsContact NE2-NH2 3.18Å; H121-R125 WeakPolarHBondContact O-CG 3.45Å; H121-R125 PolarHBondContact O-N 3.39Å; H121-R125 VanDerWaalsContact O-N 3.1Å; R122-R125 WeakPolarHBondContact O-CB 3.23Å; R122-R125 PolarHBondContact O-N 3.35Å; S123-R125 VanDerWaalsContact C-N 3.31Å; S123-R125 PolarHBondContact O-N 3.49Å; R125-Y127 VanDerWaalsContact C-N 3.26Å; R125-Y127 PolarHBondContact O-N 3.1Å; R125-L128 PolarHBondContact O-N 3.3Å; R125-F129 WeakPolarHBondContact O-CD2 3.3Å; R125-F129 PolarHBondContact O-N 3.37Å; R125-L200 HydrophobicContact CG-CD1 4.21Å; R125-L200 HydrophobicContact CG-CD2 3.69Å
126Y91.1Very high88.9Confident80 Ų8065.8 Ų65.831%0.31430%0.298SS..Hα-helixtrans-62.5-36.6176.8-68.7-60.5000112M95 R122 S123 F129 A130M95-Y126 HydrophobicContact CB-CD1 4.14Å; M95-Y126 HydrophobicContact CB-CD2 4.12Å; M95-Y126 HydrophobicContact CB-CE1 4.38Å; M95-Y126 HydrophobicContact CB-CE2 4.35Å; M95-Y126 HydrophobicContact CB-CG 4.02Å; M95-Y126 HydrophobicContact SD-CD1 4.08Å; M95-Y126 HydrophobicContact SD-CE1 3.6Å; M95-Y126 VanDerWaalsContact SD-CE1 3.6Å; R122-Y126 HydrophobicContact CB-CE2 4.48Å; R122-Y126 WeakPolarHBondContact O-CD2 3.43Å; R122-Y126 PolarHBondContact O-N 3.36Å; R122-Y126 VanDerWaalsContact O-N 3.1Å; S123-Y126 PolarHBondContact O-N 3.17Å; Y126-F129 PolarHBondContact O-N 3.49Å; Y126-A130 WeakPolarHBondContact O-CB 3.44Å; Y126-A130 PolarHBondContact O-N 3.4Å
127Y90.9Very high88.9Confident30 Ų3063 Ų6312%0.11828%0.284CS..Hα-helixtrans-61.5-46173.9-171.8-116.1000112Y96 S123 F124 R125 A130 L131 D192 P196Y96-Y127 HydrophobicContact CD1-CD2 4.28Å; Y96-Y127 HydrophobicContact CD2-CD2 4.27Å; Y96-Y127 HydrophobicContact CD2-CG 4.3Å; Y96-Y127 HydrophobicContact CE1-CD2 4.2Å; Y96-Y127 HydrophobicContact CE2-CD2 4.2Å; Y96-Y127 HydrophobicContact CE2-CG 4.19Å; Y96-Y127 HydrophobicContact CG-CD2 4.3Å; S123-Y127 PolarHBondContact O-N 3.2Å; F124-Y127 PolarHBondContact O-N 3Å; R125-Y127 VanDerWaalsContact C-N 3.26Å; R125-Y127 PolarHBondContact O-N 3.1Å; Y127-A130 PolarHBondContact O-N 2.96Å; Y127-L131 WeakPolarHBondContact O-CB 3.39Å; Y127-L131 PolarHBondContact O-N 2.86Å; Y127-D192 PolarHBondContact OH-OD2 3.46Å; Y127-P196 HydrophobicContact CD1-CB 3.97Å; Y127-P196 HydrophobicContact CD1-CG 3.79Å; Y127-P196 HydrophobicContact CE1-CG 4.15Å
128L90.4Very high88.9Confident23 Ų2355.3 Ų55.312%0.1225%0.248CC..Hα-helixtrans-60.8-46.4176.6-178.364.8000111.6F124 R125 A130 L131 I132 I193 P196 L197 L200 I202F124-L128 WeakPolarHBondContact O-CB 3.42Å; F124-L128 PolarHBondContact O-N 3.05Å; R125-L128 PolarHBondContact O-N 3.3Å; L128-A130 PolarHBondContact O-N 3.43Å; L128-L131 WeakPolarHBondContact O-CB 3.31Å; L128-L131 PolarHBondContact O-N 2.92Å; L128-I132 HydrophobicContact CD1-CD1 4.33Å; L128-I132 HydrophobicContact CD1-CG1 4.49Å; L128-I132 HydrophobicContact CG-CD1 4.01Å; L128-I132 WeakPolarHBondContact O-CG1 3.39Å; L128-I132 PolarHBondContact O-N 3.15Å; L128-I193 HydrophobicContact CD1-CG1 4.02Å; L128-P196 HydrophobicContact CB-CB 4.1Å; L128-P196 HydrophobicContact CB-CG 4.22Å; L128-P196 HydrophobicContact CD1-CB 4.48Å; L128-P196 HydrophobicContact CD1-CG 3.93Å; L128-L197 HydrophobicContact CD1-CG 4.33Å; L128-L200 HydrophobicContact CB-CD1 4.37Å; L128-L200 HydrophobicContact CD2-CD1 3.86Å; L128-I202 HydrophobicContact CD2-CD1 4.34Å
129F90.1Very high88.6Confident120 Ų12052.3 Ų52.353%0.52624%0.241SC..Hα-helixtrans-61.6-44.4177.7-79.1-65000112.6R125 Y126 L131 I132 L133R125-F129 WeakPolarHBondContact O-CD2 3.3Å; R125-F129 PolarHBondContact O-N 3.37Å; Y126-F129 PolarHBondContact O-N 3.49Å; F129-L131 PolarHBondContact O-N 3.15Å; F129-I132 PolarHBondContact O-N 3.47Å; F129-L133 WeakPolarHBondContact O-CG 3.45Å; F129-L133 PolarHBondContact O-N 2.74Å; F129-L133 VanDerWaalsContact O-N 3.1Å
130A89.3Confident88.4Confident5 Ų552 Ų524%0.04124%0.24CC..Hα-helixtrans-59.4-38.8175.500000111.5N92 Y126 Y127 L128 L133 N134N92-A130 HydrophobicContact CB-CB 3.88Å; Y126-A130 WeakPolarHBondContact O-CB 3.44Å; Y126-A130 PolarHBondContact O-N 3.4Å; Y127-A130 PolarHBondContact O-N 2.96Å; L128-A130 PolarHBondContact O-N 3.43Å; A130-L133 PolarHBondContact O-N 2.92Å; A130-N134 VanDerWaalsContact O-CG 3.26Å; A130-N134 PolarHBondContact O-N 3.44Å; A130-N134 PolarHBondContact O-OD1 3.28Å
131L88.8Confident88.1Confident4 Ų451 Ų512%0.02123%0.234CC..Hα-helixtrans-70.9-41.8-179.3-16468.3000112.7Y127 L128 F129 L133 N134 V135 N189 D192 I193Y127-L131 WeakPolarHBondContact O-CB 3.39Å; Y127-L131 PolarHBondContact O-N 2.86Å; L128-L131 WeakPolarHBondContact O-CB 3.31Å; L128-L131 PolarHBondContact O-N 2.92Å; F129-L131 PolarHBondContact O-N 3.15Å; L131-L133 VanDerWaalsContact C-N 3.29Å; L131-L133 PolarHBondContact O-N 2.92Å; L131-N134 PolarHBondContact O-N 3.43Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 3.11Å; L131-N189 HydrophobicContact CD1-CB 3.86Å; L131-N189 WeakPolarHBondContact CD1-OD1 3.37Å; L131-D192 HydrophobicContact CD1-CB 4.17Å; L131-D192 VanDerWaalsContact CD2-C 3.47Å; L131-D192 HydrophobicContact CD2-CB 4.06Å; L131-I193 HydrophobicContact CD2-CB 3.65Å; L131-I193 HydrophobicContact CD2-CG1 3.88Å; L131-I193 VanDerWaalsContact CD2-N 3.3Å
132I89.6Confident87.6Confident75 Ų7548.8 Ų48.839%0.38522%0.224SC..Hα-helixtrans-57.4-46.1173.8-69.1166.7000109.8L128 F129 N134 V135 T136L128-I132 HydrophobicContact CD1-CD1 4.33Å; L128-I132 HydrophobicContact CD1-CG1 4.49Å; L128-I132 HydrophobicContact CG-CD1 4.01Å; L128-I132 WeakPolarHBondContact O-CG1 3.39Å; L128-I132 PolarHBondContact O-N 3.15Å; F129-I132 PolarHBondContact O-N 3.47Å; I132-N134 VanDerWaalsContact C-N 3.35Å; I132-N134 PolarHBondContact O-N 2.95Å; I132-V135 PolarHBondContact O-N 3.4Å; I132-T136 PolarHBondContact O-N 2.59Å; I132-T136 PolarHBondContact O-OG1 2.95Å
133L87.8Confident87.2Confident35 Ų3545 Ų4518%0.18322%0.218CC..Hα-helixtrans-63.2-38.8178.6-69.2168.3000112.8I88 F129 A130 L131 T136 R137I88-L133 HydrophobicContact CB-CD1 3.89Å; I88-L133 HydrophobicContact CG2-CD1 3.49Å; I88-L133 VanDerWaalsContact CG2-CD1 3.49Å; F129-L133 WeakPolarHBondContact O-CG 3.45Å; F129-L133 PolarHBondContact O-N 2.74Å; F129-L133 VanDerWaalsContact O-N 3.1Å; A130-L133 PolarHBondContact O-N 2.92Å; L131-L133 VanDerWaalsContact C-N 3.29Å; L131-L133 PolarHBondContact O-N 2.92Å; L133-T136 PolarHBondContact O-N 3.29Å; L133-R137 WeakPolarHBondContact O-CB 3.23Å; L133-R137 PolarHBondContact O-N 3.48Å
134N88.1Confident86.6Confident24 Ų2448.8 Ų48.813%0.12824%0.237CC..Hα-helixtrans-65-43175.1-68.7-14.2000111.7A130 L131 I132 R137 D138A130-N134 VanDerWaalsContact O-CG 3.26Å; A130-N134 PolarHBondContact O-N 3.44Å; A130-N134 PolarHBondContact O-OD1 3.28Å; L131-N134 PolarHBondContact O-N 3.43Å; I132-N134 VanDerWaalsContact C-N 3.35Å; I132-N134 PolarHBondContact O-N 2.95Å; N134-R137 WeakPolarHBondContact O-CB 2.96Å; N134-R137 PolarHBondContact O-N 3.19Å; N134-R137 PolarHBondContact O-NE 3.29Å; N134-R137 PolarHBondContact O-NH2 2.89Å; N134-D138 VanDerWaalsContact O-CG 3.29Å; N134-D138 PolarHBondContact O-N 2.97Å
135V87.4Confident86Confident38 Ų3850.1 Ų50.123%0.2325%0.246CC..Hα-helixtrans-64.6-42.5175.7173.40000110.7L131 I132 R137 D138 V139 N189L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 3.11Å; I132-V135 PolarHBondContact O-N 3.4Å; V135-R137 VanDerWaalsContact C-N 3.26Å; V135-R137 PolarHBondContact O-N 2.92Å; V135-D138 PolarHBondContact O-N 3.01Å; V135-V139 HydrophobicContact CG1-CG2 4.31Å; V135-V139 WeakPolarHBondContact O-CB 3.37Å; V135-V139 VanDerWaalsContact O-CG2 3.31Å; V135-V139 WeakPolarHBondContact O-CG2 3.1Å; V135-V139 PolarHBondContact O-N 3.45Å; V135-N189 HydrophobicContact CG2-CB 3.72Å
136T85.6Confident85.2Confident66 Ų6644.1 Ų44.141%0.40522%0.224SC..Hα-helixtrans-58.7-40.9174.2-58.40000111.1I132 L133 V139 Y140I132-T136 PolarHBondContact O-N 2.59Å; I132-T136 PolarHBondContact O-OG1 2.95Å; L133-T136 PolarHBondContact O-N 3.29Å; T136-V139 PolarHBondContact O-N 3.09Å; T136-Y140 VanDerWaalsContact O-CB 3.31Å; T136-Y140 WeakPolarHBondContact O-CB 3.06Å; T136-Y140 PolarHBondContact O-N 2.96Å
137R86.9Confident84.1Confident20 Ų2044.9 Ų44.98%0.07523%0.233CC..Hα-helixtrans-64.1-43.7174.4174.5-84.9-28-146.15.5112.4L82 C85 L86 L133 N134 V135 V139 Y140 E141 D185L82-R137 HydrophobicContact CD1-CB 4.35Å; L82-R137 HydrophobicContact CD1-CG 3.21Å; C85-R137 HydrophobicContact CB-CB 4.31Å; L86-R137 HydrophobicContact CD2-CG 3.94Å; L86-R137 HydrophobicContact CG-CG 4.23Å; L133-R137 WeakPolarHBondContact O-CB 3.23Å; L133-R137 PolarHBondContact O-N 3.48Å; N134-R137 WeakPolarHBondContact O-CB 2.96Å; N134-R137 PolarHBondContact O-N 3.19Å; N134-R137 PolarHBondContact O-NE 3.29Å; N134-R137 PolarHBondContact O-NH2 2.89Å; V135-R137 VanDerWaalsContact C-N 3.26Å; V135-R137 PolarHBondContact O-N 2.92Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 3.48Å; R137-Y140 PolarHBondContact O-N 2.87Å; R137-E141 WeakPolarHBondContact CD-OE1 3.37Å; R137-E141 PolarHBondContact O-N 2.9Å; R137-D185 IonicContact CZ-OD2 3.56Å; R137-D185 IonicContact NH1-OD2 2.92Å; R137-D185 PolarHBondContact NH1-OD2 3.46Å; R137-D185 IonicContact NH2-OD1 2.69Å; R137-D185 IonicContact NH2-OD2 3.27Å; R137-D185 PolarHBondContact NH2-OD2 3.45Å
138D85.5Confident82.4Confident2 Ų248.3 Ų48.31%0.01126%0.26CS..Hα-helixtrans-61.5-43176.3-67.9-36.2000111.4N134 V135 L142 L182 L186 N189N134-D138 VanDerWaalsContact O-CG 3.29Å; N134-D138 PolarHBondContact O-N 2.97Å; V135-D138 PolarHBondContact O-N 3.01Å; D138-L142 VanDerWaalsContact O-CB 3.29Å; D138-L142 WeakPolarHBondContact O-CB 3.4Å; D138-L142 PolarHBondContact O-N 3.39Å; D138-L182 HydrophobicContact CB-CD1 4.14Å; D138-L186 HydrophobicContact CB-CB 4.41Å; D138-L186 HydrophobicContact CB-CD1 3.71Å; D138-N189 PolarHBondContact OD2-ND2 3.38Å
139V82.6Confident80.6Confident67 Ų6753.4 Ų53.441%0.40628%0.283SS..Hα-helixtrans-67.4-39.3177.2172.60000110.9V135 T136 R137 L142 C143V135-V139 HydrophobicContact CG1-CG2 4.31Å; V135-V139 WeakPolarHBondContact O-CB 3.37Å; V135-V139 VanDerWaalsContact O-CG2 3.31Å; V135-V139 WeakPolarHBondContact O-CG2 3.1Å; V135-V139 PolarHBondContact O-N 3.45Å; T136-V139 PolarHBondContact O-N 3.09Å; R137-V139 VanDerWaalsContact C-N 3.34Å; R137-V139 PolarHBondContact O-N 3.48Å; V139-L142 WeakPolarHBondContact O-CB 3.33Å; V139-L142 PolarHBondContact O-N 3.05Å; V139-C143 WeakPolarHBondContact O-CB 3.43Å; V139-C143 PolarHBondContact O-N 2.91Å; V139-C143 PolarHBondContact O-SG 3.31Å
140Y84Confident78.8Confident79 Ų7950 Ų5031%0.3127%0.271SS..Hα-helixtrans-64.7-46.3177.5-178.4-99.2000112D79 V81 T136 R137 L142 C143 L144D79-Y140 WeakPolarHBondContact OD2-CE1 3.25Å; V81-Y140 HydrophobicContact CB-CE1 4.45Å; V81-Y140 HydrophobicContact CB-CE2 4.35Å; V81-Y140 HydrophobicContact CG1-CD2 4.18Å; V81-Y140 HydrophobicContact CG1-CE2 4.12Å; V81-Y140 HydrophobicContact CG1-CG 4.45Å; T136-Y140 VanDerWaalsContact O-CB 3.31Å; T136-Y140 WeakPolarHBondContact O-CB 3.06Å; T136-Y140 PolarHBondContact O-N 2.96Å; R137-Y140 PolarHBondContact O-N 2.87Å; Y140-L142 VanDerWaalsContact C-N 3.31Å; Y140-L142 PolarHBondContact O-N 2.94Å; Y140-C143 PolarHBondContact O-N 3.38Å; Y140-L144 HydrophobicContact CE1-CD1 4.36Å; Y140-L144 WeakPolarHBondContact O-CB 3.32Å; Y140-L144 PolarHBondContact O-N 3.2Å
141E81.9Confident76.5Confident36 Ų3655.6 Ų55.617%0.16831%0.308CS..Hα-helixtrans-61.1-41.2173.7-75.6178.3-159.200111.4R137 C143 L144 L145 L182R137-E141 WeakPolarHBondContact CD-OE1 3.37Å; R137-E141 PolarHBondContact O-N 2.9Å; E141-C143 PolarHBondContact O-N 2.99Å; E141-L144 PolarHBondContact O-N 2.93Å; E141-L145 VanDerWaalsContact O-CG 3.31Å; E141-L145 WeakPolarHBondContact O-CG 3.43Å; E141-L145 PolarHBondContact O-N 3.29Å; E141-L182 HydrophobicContact CB-CD1 4.22Å
142L81.6Confident74.6Confident20 Ų2064.4 Ų64.411%0.10534%0.342CS..Hα-helixtrans-60.9-44.7174.6-177.964.6000111.6D138 V139 Y140 L145 L146 I172 V175 L182D138-L142 VanDerWaalsContact O-CB 3.29Å; D138-L142 WeakPolarHBondContact O-CB 3.4Å; D138-L142 PolarHBondContact O-N 3.39Å; V139-L142 WeakPolarHBondContact O-CB 3.33Å; V139-L142 PolarHBondContact O-N 3.05Å; Y140-L142 VanDerWaalsContact C-N 3.31Å; Y140-L142 PolarHBondContact O-N 2.94Å; L142-L145 PolarHBondContact O-N 2.99Å; L142-L146 HydrophobicContact CD1-CD1 4.2Å; L142-L146 HydrophobicContact CD1-CG 4.48Å; L142-L146 HydrophobicContact CG-CD1 3.88Å; L142-L146 WeakPolarHBondContact O-CB 3.29Å; L142-L146 WeakPolarHBondContact O-CD1 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.33Å; L142-L146 PolarHBondContact O-N 3.46Å; L142-I172 HydrophobicContact CD1-CG2 4.45Å; L142-I172 HydrophobicContact CD2-CG2 4Å; L142-V175 HydrophobicContact CD1-CG1 4.09Å; L142-L182 HydrophobicContact CB-CD2 4.2Å; L142-L182 HydrophobicContact CD1-CD2 4.31Å
143C78.6Confident72.8Confident56 Ų5670.3 Ų70.338%0.37836%0.36SS..Hα-helixtrans-61.4-44.2175.5-75.10000111.5V139 Y140 E141 L145 L146 D147V139-C143 WeakPolarHBondContact O-CB 3.43Å; V139-C143 PolarHBondContact O-N 2.91Å; V139-C143 PolarHBondContact O-SG 3.31Å; Y140-C143 PolarHBondContact O-N 3.38Å; E141-C143 PolarHBondContact O-N 2.99Å; C143-L145 PolarHBondContact O-N 3.18Å; C143-L146 PolarHBondContact O-N 3.32Å; C143-L146 VanDerWaalsContact O-N 3.15Å; C143-D147 WeakPolarHBondContact O-CB 3.41Å; C143-D147 VanDerWaalsContact O-CG 3.28Å; C143-D147 PolarHBondContact O-N 2.99Å
144L79.1Confident70.9Confident82 Ų8276.7 Ų76.743%0.42939%0.392SS..Hα-helixtrans-63-41.1178.6-172.1142.1000112Y140 E141 L146 C148Y140-L144 HydrophobicContact CE1-CD1 4.36Å; Y140-L144 WeakPolarHBondContact O-CB 3.32Å; Y140-L144 PolarHBondContact O-N 3.2Å; E141-L144 PolarHBondContact O-N 2.93Å; L144-L146 VanDerWaalsContact C-N 3.31Å; L144-L146 PolarHBondContact O-N 3.04Å; L144-C148 PolarHBondContact O-N 2.95Å; L144-C148 PolarHBondContact O-SG 3.23Å; L144-C148 VanDerWaalsContact O-SG 3.34Å
145L76.7Confident69.2Low58 Ų5881.8 Ų81.830%0.30442%0.424SS..Hα-helixtrans-65.7-34.1174.8-71173.2000112.5E141 L142 C143 V175 L182E141-L145 VanDerWaalsContact O-CG 3.31Å; E141-L145 WeakPolarHBondContact O-CG 3.43Å; E141-L145 PolarHBondContact O-N 3.29Å; L142-L145 PolarHBondContact O-N 2.99Å; C143-L145 PolarHBondContact O-N 3.18Å; L145-V175 HydrophobicContact CB-CG1 3.83Å; L145-V175 HydrophobicContact CD1-CG1 4Å; L145-L182 HydrophobicContact CD1-CD2 4.02Å
146L72.8Confident67.6Low7 Ų783.3 Ų83.34%0.03744%0.441CS..Hα-helixtrans-77.9-38.3178.1-70.6164.4000112.9L142 C143 L144 C148 E149 D150 R168 Q171 I172 V175L142-L146 HydrophobicContact CD1-CD1 4.2Å; L142-L146 HydrophobicContact CD1-CG 4.48Å; L142-L146 HydrophobicContact CG-CD1 3.88Å; L142-L146 WeakPolarHBondContact O-CB 3.29Å; L142-L146 WeakPolarHBondContact O-CD1 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.33Å; L142-L146 PolarHBondContact O-N 3.46Å; C143-L146 PolarHBondContact O-N 3.32Å; C143-L146 VanDerWaalsContact O-N 3.15Å; L144-L146 VanDerWaalsContact C-N 3.31Å; L144-L146 PolarHBondContact O-N 3.04Å; L146-C148 PolarHBondContact O-N 3.37Å; L146-E149 CarbonylContact O-C 3.56Å; L146-E149 WeakPolarHBondContact O-CA 3.36Å; L146-E149 WeakPolarHBondContact O-CB 3.35Å; L146-E149 PolarHBondContact O-N 3.06Å; L146-D150 PolarHBondContact O-N 3.22Å; L146-R168 VanDerWaalsContact CB-NH1 3.31Å; L146-Q171 HydrophobicContact CD2-CB 4.26Å; L146-I172 HydrophobicContact CD1-CD1 4.47Å; L146-I172 HydrophobicContact CD1-CG1 3.66Å; L146-I172 HydrophobicContact CD2-CG1 4.21Å; L146-V175 HydrophobicContact CD2-CB 4.47Å; L146-V175 HydrophobicContact CD2-CG2 3.93Å
147D68.2Low66.1Low95 Ų9584.6 Ų84.651%0.50845%0.449SS..Hα-helixtrans-67.9-27178.9-72.2-19.9000111.5C143 E149 D150C143-D147 WeakPolarHBondContact O-CB 3.41Å; C143-D147 VanDerWaalsContact O-CG 3.28Å; C143-D147 PolarHBondContact O-N 2.99Å; D147-E149 PolarHBondContact O-N 3.45Å; D147-D150 PolarHBondContact O-N 3.43Å
148C54.9Low64.8Low102 Ų10288.6 Ų88.669%0.68948%0.478SS*.THydrogen-bonded Turntrans-60.6-26.3165.8-75.20000113.2L144 L146L144-C148 PolarHBondContact O-N 2.95Å; L144-C148 PolarHBondContact O-SG 3.23Å; L144-C148 VanDerWaalsContact O-SG 3.34Å; L146-C148 PolarHBondContact O-N 3.37Å
149E53.3Low63.6Low130 Ų13092.8 Ų92.861%0.60751%0.512SS*.THydrogen-bonded Turntrans-96.4-22.4175.2-61.8-143.8162.900113.5L146 D147L146-E149 CarbonylContact O-C 3.56Å; L146-E149 WeakPolarHBondContact O-CA 3.36Å; L146-E149 WeakPolarHBondContact O-CB 3.35Å; L146-E149 PolarHBondContact O-N 3.06Å; D147-E149 PolarHBondContact O-N 3.45Å
150D52.4Low62.7Low50 Ų5092.6 Ų92.627%0.26751%0.511SS..  trans-99.324-171.8-74.3-40.7000114.9L146 D147 Y152 R168L146-D150 PolarHBondContact O-N 3.22Å; D147-D150 PolarHBondContact O-N 3.43Å; D150-Y152 PolarHBondContact O-N 3.42Å; D150-R168 IonicContact OD2-CZ 3.46Å; D150-R168 IonicContact OD2-NE 3.69Å; D150-R168 IonicContact OD2-NH1 3.09Å; D150-R168 PolarHBondContact OD2-NH1 3.47Å; D150-R168 IonicContact OD2-NH2 3.66Å; D150-R168 PolarHBondContact OD2-NH2 2.93Å
151C41Very low61.6Low121 Ų12194.1 Ų94.182%0.81852%0.522SS*.  trans-62.311.3171.4-131.50000114.2
152Y48.8Very low60.8Low189 Ų189101.8 Ų101.874%0.74155%0.55SS*.SBendtrans-136.7104.4-178-131.1-115.3000114.1D150D150-Y152 PolarHBondContact O-N 3.42Å
153R51.8Low60.2Low199 Ų199105.5 Ų105.575%0.75157%0.573SS**  trans79.794.9149-56.9177.499.7165.56.1118.6
154I48.4Very low59.7Low170 Ų170108.8 Ų108.887%0.87258%0.578SS**  trans-96.995.1155.6-57.9173.3000108.8
155T51.8Low59.3Low130 Ų130108.3 Ų108.380%0.79858%0.575SS**  trans-147.692.1153.334.30000106.3
156A53.4Low59.2Low70 Ų70115.3 Ų115.358%0.57960%0.598SS**  trans-136.8131.3177.200000111.5V160A156-V160 HydrophobicContact CB-CB 4.43Å
157T54.6Low59.2Low94 Ų94121.3 Ų121.358%0.57762%0.623SS**  trans-78.6162.3177.446.50000111.6A159 V160T157-A159 PolarHBondContact O-N 2.82Å; T157-A159 VanDerWaalsContact O-N 3.1Å; T157-V160 WeakPolarHBondContact O-CG2 3.06Å; T157-V160 PolarHBondContact O-N 3.1Å; T157-V160 WeakPolarHBondContact OG1-CG2 3.43Å
158P58.7Low59.3Low104 Ų104119 Ų11968%0.67561%0.608SS**G310 helixtrans-60-24.8-172.118.6-31.8000115.5V160 M161P158-V160 VanDerWaalsContact C-N 3.32Å; P158-V160 PolarHBondContact O-N 3.42Å; P158-M161 WeakPolarHBondContact O-CB 3.5Å; P158-M161 PolarHBondContact O-N 2.98Å
159A61.4Low60.2Low89 Ų89119.1 Ų119.174%0.73660%0.6SS**G310 helixtrans-71.2-24.9176.500000113.5T157T157-A159 PolarHBondContact O-N 2.82Å; T157-A159 VanDerWaalsContact O-N 3.1Å
160V62.4Low61.2Low63 Ų63119.3 Ų119.338%0.38260%0.601SS.*G310 helixtrans-91.8-5.2-179.6-137.40000112.2A156 T157 P158 W162 V163 W164A156-V160 HydrophobicContact CB-CB 4.43Å; T157-V160 WeakPolarHBondContact O-CG2 3.06Å; T157-V160 PolarHBondContact O-N 3.1Å; T157-V160 WeakPolarHBondContact OG1-CG2 3.43Å; P158-V160 VanDerWaalsContact C-N 3.32Å; P158-V160 PolarHBondContact O-N 3.42Å; V160-W162 PolarHBondContact O-N 3.25Å; V160-V163 HydrophobicContact CG1-CB 4.45Å; V160-V163 PolarHBondContact O-N 2.92Å; V160-W164 WeakPolarHBondContact O-CB 3.36Å; V160-W164 PolarHBondContact O-N 3.35Å
161M61.5Low62.1Low112 Ų112118.5 Ų118.555%0.55260%0.595SS**Hα-helixtrans-58.8-42.6-177.2-173.4114.570.100112.3P158 W164 L165P158-M161 WeakPolarHBondContact O-CB 3.5Å; P158-M161 PolarHBondContact O-N 2.98Å; M161-W164 PolarHBondContact O-N 3.47Å; M161-L165 WeakPolarHBondContact O-CB 3.34Å; M161-L165 PolarHBondContact O-N 3.02Å
162W65.4Low63.8Low197 Ų197115.3 Ų115.375%0.74657%0.57SS**Hα-helixtrans-68.1-36.5179.8-66107.1000113V160 L165 R166V160-W162 PolarHBondContact O-N 3.25Å; W162-L165 HydrophobicContact CE3-CD2 4.24Å; W162-L165 HydrophobicContact CZ3-CD2 4.26Å; W162-R166 WeakPolarHBondContact O-CB 3.37Å; W162-R166 PolarHBondContact O-N 3.39Å
163V68.5Low64.9Low98 Ų98108.2 Ų108.259%0.59455%0.554SS**Hα-helixtrans-70.1-42.9176.2178.50000110.2V160 R166 K167V160-V163 HydrophobicContact CG1-CB 4.45Å; V160-V163 PolarHBondContact O-N 2.92Å; V163-R166 PolarHBondContact O-N 3.46Å; V163-K167 WeakPolarHBondContact O-CB 3.36Å; V163-K167 PolarHBondContact O-N 3.33Å
164W69.5Low66Low124 Ų124101.5 Ų101.547%0.4754%0.535SS..Hα-helixtrans-62.2-45.3173.8179.488.3000111.7V160 M161 R166 K167 R168V160-W164 WeakPolarHBondContact O-CB 3.36Å; V160-W164 PolarHBondContact O-N 3.35Å; M161-W164 PolarHBondContact O-N 3.47Å; W164-R166 PolarHBondContact O-N 2.86Å; W164-K167 PolarHBondContact O-N 3.34Å; W164-R168 HydrophobicContact CD2-CG 4.07Å; W164-R168 HydrophobicContact CE3-CG 4.23Å; W164-R168 HydrophobicContact CH2-CG 3.79Å; W164-R168 HydrophobicContact CZ2-CG 3.58Å; W164-R168 HydrophobicContact CZ3-CG 4.1Å; W164-R168 WeakPolarHBondContact O-CB 3.41Å; W164-R168 PolarHBondContact O-N 3.34Å
165L70.3Confident67.1Low72 Ų7293.9 Ų93.938%0.37750%0.497SS..Hα-helixtrans-61.7-43.8178.3-173.766.8000111M161 W162 R168 I169M161-L165 WeakPolarHBondContact O-CB 3.34Å; M161-L165 PolarHBondContact O-N 3.02Å; W162-L165 HydrophobicContact CE3-CD2 4.24Å; W162-L165 HydrophobicContact CZ3-CD2 4.26Å; L165-R168 PolarHBondContact O-N 3.04Å; L165-I169 HydrophobicContact CD1-CD1 4.43Å; L165-I169 HydrophobicContact CG-CD1 3.99Å; L165-I169 WeakPolarHBondContact O-CB 3.36Å; L165-I169 WeakPolarHBondContact O-CG1 3.41Å; L165-I169 PolarHBondContact O-N 3.07Å
166R73.8Confident68.2Low206 Ų20688.7 Ų88.778%0.77746%0.464SS*.Hα-helixtrans-64.4-40.5176-167.6177.9-177.2-172.10.6111.9W162 V163 W164 I169 H170W162-R166 WeakPolarHBondContact O-CB 3.37Å; W162-R166 PolarHBondContact O-N 3.39Å; V163-R166 PolarHBondContact O-N 3.46Å; W164-R166 PolarHBondContact O-N 2.86Å; R166-I169 PolarHBondContact O-N 2.97Å; R166-H170 WeakPolarHBondContact O-CB 3.36Å; R166-H170 PolarHBondContact O-N 2.88Å
167K72.6Confident69.1Low133 Ų13394 Ų9458%0.57847%0.47SS*.Hα-helixtrans-65-44.6175.4-169.7-175.6177.1-169.40111.3V163 W164 H170 Q171V163-K167 WeakPolarHBondContact O-CB 3.36Å; V163-K167 PolarHBondContact O-N 3.33Å; W164-K167 PolarHBondContact O-N 3.34Å; K167-H170 WeakPolarHBondContact O-CB 3.48Å; K167-H170 PolarHBondContact O-N 3.18Å; K167-Q171 WeakPolarHBondContact O-CB 3.16Å; K167-Q171 WeakPolarHBondContact O-CG 3.25Å; K167-Q171 PolarHBondContact O-N 2.67Å; K167-Q171 PolarHBondContact O-OE1 3.15Å
168R71.3Confident70.1Confident47 Ų4794.6 Ų94.618%0.17747%0.469CS..Hα-helixtrans-58.8-47.8173.9-98-68.4-156.3-167.8-2.6111.9L146 D150 W164 L165 H170 Q171 I172L146-R168 VanDerWaalsContact CB-NH1 3.31Å; D150-R168 IonicContact OD2-CZ 3.46Å; D150-R168 IonicContact OD2-NE 3.69Å; D150-R168 IonicContact OD2-NH1 3.09Å; D150-R168 PolarHBondContact OD2-NH1 3.47Å; D150-R168 IonicContact OD2-NH2 3.66Å; D150-R168 PolarHBondContact OD2-NH2 2.93Å; W164-R168 HydrophobicContact CD2-CG 4.07Å; W164-R168 HydrophobicContact CE3-CG 4.23Å; W164-R168 HydrophobicContact CH2-CG 3.79Å; W164-R168 HydrophobicContact CZ2-CG 3.58Å; W164-R168 HydrophobicContact CZ3-CG 4.1Å; W164-R168 WeakPolarHBondContact O-CB 3.41Å; W164-R168 PolarHBondContact O-N 3.34Å; L165-R168 PolarHBondContact O-N 3.04Å; R168-H170 VanDerWaalsContact C-N 3.29Å; R168-H170 PolarHBondContact O-N 3.21Å; R168-Q171 PolarHBondContact O-N 2.95Å; R168-I172 WeakPolarHBondContact O-CB 3.15Å; R168-I172 WeakPolarHBondContact O-CD1 3.38Å; R168-I172 WeakPolarHBondContact O-CG1 3.31Å; R168-I172 PolarHBondContact O-N 3.26Å
169I74.1Confident71Confident104 Ų10492.3 Ų92.353%0.53345%0.452SS..Hα-helixtrans-61.8-40.7176.9-70165.6000110.6L165 R166 G173L165-I169 HydrophobicContact CD1-CD1 4.43Å; L165-I169 HydrophobicContact CG-CD1 3.99Å; L165-I169 WeakPolarHBondContact O-CB 3.36Å; L165-I169 WeakPolarHBondContact O-CG1 3.41Å; L165-I169 PolarHBondContact O-N 3.07Å; R166-I169 PolarHBondContact O-N 2.97Å; I169-G173 PolarHBondContact O-N 3.49Å
170H73.8Confident71.7Confident134 Ų13490.7 Ų90.762%0.6243%0.434SS*.Hα-helixtrans-65-46.8176.4-169.572.2000111.7R166 K167 R168 I172 G173 T174R166-H170 WeakPolarHBondContact O-CB 3.36Å; R166-H170 PolarHBondContact O-N 2.88Å; K167-H170 WeakPolarHBondContact O-CB 3.48Å; K167-H170 PolarHBondContact O-N 3.18Å; R168-H170 VanDerWaalsContact C-N 3.29Å; R168-H170 PolarHBondContact O-N 3.21Å; H170-I172 PolarHBondContact O-N 3.33Å; H170-G173 CarbonylContact O-C 3.54Å; H170-G173 WeakPolarHBondContact O-CA 3.49Å; H170-G173 PolarHBondContact O-N 3.31Å; H170-G173 VanDerWaalsContact O-N 3.1Å; H170-T174 PolarHBondContact O-N 3.3Å; H170-T174 PolarHBondContact O-OG1 3.34Å
171Q71.5Confident72.5Confident32 Ų3289 Ų8915%0.1542%0.424CS..Hα-helixtrans-60.4-44.5175.7-74.3170.1-56.500111.8L146 K167 R168 G173 T174 V175L146-Q171 HydrophobicContact CD2-CB 4.26Å; K167-Q171 WeakPolarHBondContact O-CB 3.16Å; K167-Q171 WeakPolarHBondContact O-CG 3.25Å; K167-Q171 PolarHBondContact O-N 2.67Å; K167-Q171 PolarHBondContact O-OE1 3.15Å; R168-Q171 PolarHBondContact O-N 2.95Å; Q171-G173 VanDerWaalsContact C-N 3.3Å; Q171-G173 PolarHBondContact O-N 2.95Å; Q171-T174 PolarHBondContact O-N 3.34Å; Q171-V175 WeakPolarHBondContact O-CB 3.41Å; Q171-V175 VanDerWaalsContact O-CG2 3.32Å; Q171-V175 WeakPolarHBondContact O-CG2 3.33Å; Q171-V175 PolarHBondContact O-N 3.19Å
172I76.1Confident73.4Confident55 Ų5583.9 Ų83.928%0.28240%0.399SS..Hα-helixtrans-55.6-49172-71.8160.3000109.5L142 L146 R168 H170 T174 V175 L176L142-I172 HydrophobicContact CD1-CG2 4.45Å; L142-I172 HydrophobicContact CD2-CG2 4Å; L146-I172 HydrophobicContact CD1-CD1 4.47Å; L146-I172 HydrophobicContact CD1-CG1 3.66Å; L146-I172 HydrophobicContact CD2-CG1 4.21Å; R168-I172 WeakPolarHBondContact O-CB 3.15Å; R168-I172 WeakPolarHBondContact O-CD1 3.38Å; R168-I172 WeakPolarHBondContact O-CG1 3.31Å; R168-I172 PolarHBondContact O-N 3.26Å; H170-I172 PolarHBondContact O-N 3.33Å; I172-T174 VanDerWaalsContact C-N 3.33Å; I172-T174 PolarHBondContact O-N 3.04Å; I172-V175 PolarHBondContact O-N 2.93Å; I172-L176 WeakPolarHBondContact O-CB 3.27Å; I172-L176 PolarHBondContact O-N 2.81Å
173G72.4Confident74.2Confident39 Ų3977 Ų7740%0.40238%0.376SS..Hα-helixtrans-57.8-43.1177.100000112.9I169 H170 Q171 Y177I169-G173 PolarHBondContact O-N 3.49Å; H170-G173 CarbonylContact O-C 3.54Å; H170-G173 WeakPolarHBondContact O-CA 3.49Å; H170-G173 PolarHBondContact O-N 3.31Å; H170-G173 VanDerWaalsContact O-N 3.1Å; Q171-G173 VanDerWaalsContact C-N 3.3Å; Q171-G173 PolarHBondContact O-N 2.95Å; G173-Y177 VanDerWaalsContact O-CB 3.24Å; G173-Y177 WeakPolarHBondContact O-CB 3.42Å; G173-Y177 PolarHBondContact O-N 3.48Å
174T73.5Confident74.9Confident59 Ų5973.6 Ų73.636%0.36236%0.355SS..Hα-helixtrans-68.1-46.9178.5-54.10000112H170 Q171 I172 L176 Y177 N178H170-T174 PolarHBondContact O-N 3.3Å; H170-T174 PolarHBondContact O-OG1 3.34Å; Q171-T174 PolarHBondContact O-N 3.34Å; I172-T174 VanDerWaalsContact C-N 3.33Å; I172-T174 PolarHBondContact O-N 3.04Å; T174-L176 VanDerWaalsContact C-N 3.3Å; T174-L176 PolarHBondContact O-N 3.29Å; T174-Y177 PolarHBondContact O-N 3.38Å; T174-N178 WeakPolarHBondContact O-CB 3.29Å; T174-N178 PolarHBondContact O-N 3.4Å; T174-N178 PolarHBondContact O-ND2 3.39Å
175V72.4Confident75.6Confident10 Ų1069.5 Ų69.56%0.06134%0.342CS..Hα-helixtrans-62.4-40.5177.5170.70000110.7L142 L145 L146 Q171 I172 N178 N179L142-V175 HydrophobicContact CD1-CG1 4.09Å; L145-V175 HydrophobicContact CB-CG1 3.83Å; L145-V175 HydrophobicContact CD1-CG1 4Å; L146-V175 HydrophobicContact CD2-CB 4.47Å; L146-V175 HydrophobicContact CD2-CG2 3.93Å; Q171-V175 WeakPolarHBondContact O-CB 3.41Å; Q171-V175 VanDerWaalsContact O-CG2 3.32Å; Q171-V175 WeakPolarHBondContact O-CG2 3.33Å; Q171-V175 PolarHBondContact O-N 3.19Å; I172-V175 PolarHBondContact O-N 2.93Å; V175-N178 PolarHBondContact O-N 3.49Å; V175-N179 WeakPolarHBondContact O-CB 3.34Å; V175-N179 PolarHBondContact O-N 3.11Å; V175-N179 PolarHBondContact O-ND2 2.81Å
176L74.7Confident76.3Confident20 Ų2068.3 Ų68.311%0.10534%0.336CS..Hα-helixtrans-72.3-34.3179.4-158.962.9000111.7I172 T174 N179 L182 L183 L186I172-L176 WeakPolarHBondContact O-CB 3.27Å; I172-L176 PolarHBondContact O-N 2.81Å; T174-L176 VanDerWaalsContact C-N 3.3Å; T174-L176 PolarHBondContact O-N 3.29Å; L176-N179 CarbonylContact O-C 3.56Å; L176-N179 VanDerWaalsContact O-C 3.23Å; L176-N179 PolarHBondContact O-N 3.43Å; L176-N179 VanDerWaalsContact O-O 3.14Å; L176-L182 HydrophobicContact CD1-CB 4.28Å; L176-L182 HydrophobicContact CD1-CD2 4.14Å; L176-L182 HydrophobicContact CD1-CG 3.99Å; L176-L183 HydrophobicContact CD1-CB 3.95Å; L176-L183 HydrophobicContact CD1-CD1 4.4Å; L176-L183 HydrophobicContact CD2-CB 4.45Å; L176-L183 HydrophobicContact CD2-CD1 3.32Å; L176-L183 HydrophobicContact CD2-CG 4.41Å; L176-L183 HydrophobicContact CG-CB 3.68Å; L176-L183 HydrophobicContact CG-CD1 3.5Å; L176-L183 HydrophobicContact CG-CG 4.08Å; L176-L186 HydrophobicContact CD2-CD2 4.26Å
177Y72.9Confident76.8Confident183 Ų18362.4 Ų62.472%0.71832%0.319SS*.Hα-helixtrans-65.9-41.3170.4-176.4-95.8000112G173 T174 N179G173-Y177 VanDerWaalsContact O-CB 3.24Å; G173-Y177 WeakPolarHBondContact O-CB 3.42Å; G173-Y177 PolarHBondContact O-N 3.48Å; T174-Y177 PolarHBondContact O-N 3.38Å; Y177-N179 VanDerWaalsContact C-N 3.26Å; Y177-N179 PolarHBondContact O-N 3.43Å
178N75.1Confident77.5Confident105 Ų10558 Ų5856%0.56130%0.3SS*.Hα-helixtrans-71.7-21.5177.2-68.6-20.7000112.6T174 V175 P180T174-N178 WeakPolarHBondContact O-CB 3.29Å; T174-N178 PolarHBondContact O-N 3.4Å; T174-N178 PolarHBondContact O-ND2 3.39Å; V175-N178 PolarHBondContact O-N 3.49Å; N178-P180 VanDerWaalsContact C-CD 3.4Å; N178-P180 VanDerWaalsContact O-CD 3.23Å; N178-P180 WeakPolarHBondContact O-CD 3.3Å
179N77.4Confident78.3Confident57 Ų5756.1 Ų56.131%0.30529%0.293SS..  trans-116.871.2176.6-67-79.7000110.8V175 L176 Y177 P181 L182 L183V175-N179 WeakPolarHBondContact O-CB 3.34Å; V175-N179 PolarHBondContact O-N 3.11Å; V175-N179 PolarHBondContact O-ND2 2.81Å; L176-N179 CarbonylContact O-C 3.56Å; L176-N179 VanDerWaalsContact O-C 3.23Å; L176-N179 PolarHBondContact O-N 3.43Å; L176-N179 VanDerWaalsContact O-O 3.14Å; Y177-N179 VanDerWaalsContact C-N 3.26Å; Y177-N179 PolarHBondContact O-N 3.43Å; N179-P181 VanDerWaalsContact C-N 3.31Å; N179-L182 HydrophobicContact CB-CB 4.21Å; N179-L182 PolarHBondContact O-N 3.44Å; N179-L183 PolarHBondContact O-N 3.35Å
180P76.6Confident78.9Confident55 Ų5552.6 Ų52.636%0.35728%0.283SS..Hα-helixtrans-58.2-29-178.227.1-34.5000115.2N178 L184 L230N178-P180 VanDerWaalsContact C-CD 3.4Å; N178-P180 VanDerWaalsContact O-CD 3.23Å; N178-P180 WeakPolarHBondContact O-CD 3.3Å; P180-L184 VanDerWaalsContact O-CG 3.25Å; P180-L184 WeakPolarHBondContact O-CG 3.32Å; P180-L184 PolarHBondContact O-N 3.32Å; P180-L184 VanDerWaalsContact O-N 3.14Å; P180-L230 HydrophobicContact CB-CD2 3.59Å; P180-L230 HydrophobicContact CG-CD2 3.99Å
181P79.9Confident79.4Confident28 Ų2847.4 Ų47.418%0.18226%0.261CS..Hα-helixtrans-67.7-34.5174.628.4-38000113.4N179 D185 L230 L232N179-P181 VanDerWaalsContact C-N 3.31Å; P181-D185 PolarHBondContact O-N 3.49Å; P181-D185 VanDerWaalsContact O-N 3.11Å; P181-L230 WeakPolarHBondContact CB-O 3.33Å; P181-L232 HydrophobicContact CB-CB 3.87Å; P181-L232 HydrophobicContact CB-CD1 3.51Å; P181-L232 HydrophobicContact CB-CG 4.31Å; P181-L232 HydrophobicContact CG-CD1 3.59Å
182L79.3Confident80.3Confident4 Ų446 Ų462%0.02126%0.255CS..Hα-helixtrans-72.2-41179.6-177.866.7000110.3D138 E141 L142 L145 L176 N179 L184 D185 L186 L232D138-L182 HydrophobicContact CB-CD1 4.14Å; E141-L182 HydrophobicContact CB-CD1 4.22Å; L142-L182 HydrophobicContact CB-CD2 4.2Å; L142-L182 HydrophobicContact CD1-CD2 4.31Å; L145-L182 HydrophobicContact CD1-CD2 4.02Å; L176-L182 HydrophobicContact CD1-CB 4.28Å; L176-L182 HydrophobicContact CD1-CD2 4.14Å; L176-L182 HydrophobicContact CD1-CG 3.99Å; N179-L182 HydrophobicContact CB-CB 4.21Å; N179-L182 PolarHBondContact O-N 3.44Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-L184 PolarHBondContact O-N 2.91Å; L182-D185 PolarHBondContact O-N 3Å; L182-L186 WeakPolarHBondContact O-CB 3.35Å; L182-L186 PolarHBondContact O-N 3.22Å; L182-L232 HydrophobicContact CB-CD1 4.1Å
183L81.8Confident80.9Confident52 Ų5245.5 Ų45.527%0.27225%0.252SS..Hα-helixtrans-54.8-49.4172.918057.4000111.5L176 N179 L186 L187L176-L183 HydrophobicContact CD1-CB 3.95Å; L176-L183 HydrophobicContact CD1-CD1 4.4Å; L176-L183 HydrophobicContact CD2-CB 4.45Å; L176-L183 HydrophobicContact CD2-CD1 3.32Å; L176-L183 HydrophobicContact CD2-CG 4.41Å; L176-L183 HydrophobicContact CG-CB 3.68Å; L176-L183 HydrophobicContact CG-CD1 3.5Å; L176-L183 HydrophobicContact CG-CG 4.08Å; N179-L183 PolarHBondContact O-N 3.35Å; L183-L186 PolarHBondContact O-N 3.27Å; L183-L187 HydrophobicContact CD1-CD1 3.77Å; L183-L187 HydrophobicContact CD1-CG 3.94Å; L183-L187 HydrophobicContact CG-CD1 3.95Å; L183-L187 HydrophobicContact CG-CG 4.43Å; L183-L187 VanDerWaalsContact O-CB 3.31Å; L183-L187 WeakPolarHBondContact O-CB 3.27Å; L183-L187 VanDerWaalsContact O-CG 3.27Å; L183-L187 WeakPolarHBondContact O-CG 3.23Å; L183-L187 PolarHBondContact O-N 3.28Å
184L82.9Confident81.6Confident26 Ų2646.6 Ų46.614%0.13625%0.246CC..Hα-helixtrans-68.3-37.8-175.9-71.5173.8000112P180 L182 K188 L220 T224 L230P180-L184 VanDerWaalsContact O-CG 3.25Å; P180-L184 WeakPolarHBondContact O-CG 3.32Å; P180-L184 PolarHBondContact O-N 3.32Å; P180-L184 VanDerWaalsContact O-N 3.14Å; L182-L184 VanDerWaalsContact C-N 3.32Å; L182-L184 PolarHBondContact O-N 2.91Å; L184-K188 WeakPolarHBondContact O-CB 3.25Å; L184-K188 PolarHBondContact O-N 3.14Å; L184-L220 HydrophobicContact CD2-CD2 3.84Å; L184-T224 HydrophobicContact CB-CG2 4Å; L184-T224 HydrophobicContact CD1-CG2 3.66Å; L184-T224 HydrophobicContact CG-CG2 4.36Å; L184-L230 HydrophobicContact CD1-CB 4.11Å; L184-L230 HydrophobicContact CD1-CD1 4.48Å; L184-L230 HydrophobicContact CD1-CD2 3.64Å; L184-L230 HydrophobicContact CD1-CG 4.3Å
185D85.3Confident82.2Confident39 Ų3944.1 Ų44.121%0.20923%0.231CC..Hα-helixtrans-68.6-45.6176.5-153.57.8000111R137 P181 L182 L187 K188 N189R137-D185 IonicContact CZ-OD2 3.56Å; R137-D185 IonicContact NH1-OD2 2.92Å; R137-D185 PolarHBondContact NH1-OD2 3.46Å; R137-D185 IonicContact NH2-OD1 2.69Å; R137-D185 IonicContact NH2-OD2 3.27Å; R137-D185 PolarHBondContact NH2-OD2 3.45Å; P181-D185 PolarHBondContact O-N 3.49Å; P181-D185 VanDerWaalsContact O-N 3.11Å; L182-D185 PolarHBondContact O-N 3Å; D185-L187 PolarHBondContact O-N 3.35Å; D185-K188 PolarHBondContact O-N 2.88Å; D185-N189 VanDerWaalsContact O-CB 3.31Å; D185-N189 WeakPolarHBondContact O-CB 3.31Å; D185-N189 PolarHBondContact O-N 2.89Å; D185-N189 PolarHBondContact O-ND2 3.37Å; D185-N189 VanDerWaalsContact O-ND2 3.07Å; D185-N189 PolarHBondContact OD1-ND2 2.94Å
186L84.9Confident82.9Confident46 Ų4643.7 Ų43.724%0.24123%0.228CC..Hα-helixtrans-60.9-47.3176.7-173.574.3000112D138 L176 L182 L183 K188 N189 G190D138-L186 HydrophobicContact CB-CB 4.41Å; D138-L186 HydrophobicContact CB-CD1 3.71Å; L176-L186 HydrophobicContact CD2-CD2 4.26Å; L182-L186 WeakPolarHBondContact O-CB 3.35Å; L182-L186 PolarHBondContact O-N 3.22Å; L183-L186 PolarHBondContact O-N 3.27Å; L186-K188 VanDerWaalsContact C-N 3.35Å; L186-K188 PolarHBondContact O-N 3.43Å; L186-N189 PolarHBondContact O-N 3.26Å; L186-G190 PolarHBondContact O-N 3.17Å
187L85.1Confident83.5Confident82 Ų8244.3 Ų44.343%0.42923%0.231SC..Hα-helixtrans-61.7-44.6177.5-77.4177.9000111.3L183 D185 G190 C191 L220L183-L187 HydrophobicContact CD1-CD1 3.77Å; L183-L187 HydrophobicContact CD1-CG 3.94Å; L183-L187 HydrophobicContact CG-CD1 3.95Å; L183-L187 HydrophobicContact CG-CG 4.43Å; L183-L187 VanDerWaalsContact O-CB 3.31Å; L183-L187 WeakPolarHBondContact O-CB 3.27Å; L183-L187 VanDerWaalsContact O-CG 3.27Å; L183-L187 WeakPolarHBondContact O-CG 3.23Å; L183-L187 PolarHBondContact O-N 3.28Å; D185-L187 PolarHBondContact O-N 3.35Å; L187-G190 PolarHBondContact O-N 3.32Å; L187-C191 PolarHBondContact O-N 3.24Å; L187-C191 PolarHBondContact O-SG 3.06Å; L187-C191 VanDerWaalsContact O-SG 3.35Å; L187-L220 HydrophobicContact CB-CD1 4.16Å
188K87.4Confident84.1Confident40 Ų4037.1 Ų37.117%0.17421%0.205CC..Hα-helixtrans-63.2-48.1178.7-178.9-176172.4178.70111.3L184 D185 L186 G190 C191 D192 S217 S221L184-K188 WeakPolarHBondContact O-CB 3.25Å; L184-K188 PolarHBondContact O-N 3.14Å; D185-K188 PolarHBondContact O-N 2.88Å; L186-K188 VanDerWaalsContact C-N 3.35Å; L186-K188 PolarHBondContact O-N 3.43Å; K188-G190 VanDerWaalsContact C-N 3.32Å; K188-C191 PolarHBondContact O-N 2.96Å; K188-D192 WeakPolarHBondContact O-CB 3.25Å; K188-D192 PolarHBondContact O-N 2.9Å; K188-S217 WeakPolarHBondContact CG-OG 3.27Å; K188-S221 PolarHBondContact NZ-OG 3.48Å
189N87.9Confident84.6Confident8 Ų837.4 Ų37.44%0.04320%0.202CC..Hα-helixtrans-65.7-38.3179.5-67.6-34.6000111.1L131 V135 D138 D185 L186 D192 I193L131-N189 HydrophobicContact CD1-CB 3.86Å; L131-N189 WeakPolarHBondContact CD1-OD1 3.37Å; V135-N189 HydrophobicContact CG2-CB 3.72Å; D138-N189 PolarHBondContact OD2-ND2 3.38Å; D185-N189 VanDerWaalsContact O-CB 3.31Å; D185-N189 WeakPolarHBondContact O-CB 3.31Å; D185-N189 PolarHBondContact O-N 2.89Å; D185-N189 PolarHBondContact O-ND2 3.37Å; D185-N189 VanDerWaalsContact O-ND2 3.07Å; D185-N189 PolarHBondContact OD1-ND2 2.94Å; L186-N189 PolarHBondContact O-N 3.26Å; N189-D192 PolarHBondContact O-N 3.04Å; N189-I193 PolarHBondContact O-N 2.94Å; N189-I193 VanDerWaalsContact O-N 3.15Å
190G85.3Confident85Confident30 Ų3035.9 Ų35.931%0.30919%0.193SC..Hα-helixtrans-62.8-44.2173.400000113L186 L187 K188 I193 F194L186-G190 PolarHBondContact O-N 3.17Å; L187-G190 PolarHBondContact O-N 3.32Å; K188-G190 VanDerWaalsContact C-N 3.32Å; G190-I193 WeakPolarHBondContact O-CG2 3.48Å; G190-F194 WeakPolarHBondContact O-CD2 3.46Å; G190-F194 VanDerWaalsContact O-CE2 3.3Å; G190-F194 WeakPolarHBondContact O-CE2 3.29Å
191C85.2Confident85.2Confident25 Ų2535.5 Ų35.517%0.16920%0.2CC..Hα-helixtrans-67-37.5173.9-70.40000112.2L187 K188 I193 C213L187-C191 PolarHBondContact O-N 3.24Å; L187-C191 PolarHBondContact O-SG 3.06Å; L187-C191 VanDerWaalsContact O-SG 3.35Å; K188-C191 PolarHBondContact O-N 2.96Å; C191-I193 VanDerWaalsContact C-N 3.26Å; C191-I193 PolarHBondContact O-N 3.45Å; C191-C213 HydrophobicContact CB-CB 4.32Å
192D89.6Confident85.4Confident4 Ų439.5 Ų39.52%0.02122%0.218CC..Hα-helixtrans-71.5-16.9-177.9-89.16.8000113.5R19 Y127 L131 K188 N189 F194 I195 P196 S217R19-D192 IonicContact CZ-OD1 2.71Å; R19-D192 IonicContact CZ-OD2 3Å; R19-D192 IonicContact NH1-OD2 2.72Å; R19-D192 PolarHBondContact NH1-OD2 3.48Å; R19-D192 VanDerWaalsContact NH1-OD2 3.09Å; R19-D192 IonicContact NH2-OD1 2.63Å; R19-D192 PolarHBondContact NH2-OD1 3.45Å; R19-D192 IonicContact NH2-OD2 3.02Å; R19-D192 PolarHBondContact NH2-OD2 2.86Å; Y127-D192 PolarHBondContact OH-OD2 3.46Å; L131-D192 HydrophobicContact CD1-CB 4.17Å; L131-D192 VanDerWaalsContact CD2-C 3.47Å; L131-D192 HydrophobicContact CD2-CB 4.06Å; K188-D192 WeakPolarHBondContact O-CB 3.25Å; K188-D192 PolarHBondContact O-N 2.9Å; N189-D192 PolarHBondContact O-N 3.04Å; D192-F194 VanDerWaalsContact C-N 3.35Å; D192-F194 PolarHBondContact O-N 3.23Å; D192-I195 HydrophobicContact CB-CD1 4.43Å; D192-I195 WeakPolarHBondContact O-CB 3.48Å; D192-I195 PolarHBondContact O-N 3.15Å; D192-I195 WeakPolarHBondContact OD1-CD1 3.47Å; D192-P196 WeakPolarHBondContact O-CD 3.18Å; D192-S217 WeakPolarHBondContact OD1-CB 3.31Å; D192-S217 PolarHBondContact OD1-OG 2.93Å; D192-S217 PolarHBondContact OD2-OG 3.33Å
193I89.3Confident85.5Confident43 Ų4346.1 Ų46.122%0.22124%0.244CC..Hα-helixtrans-70.7-32.4-176-154171.2000112.7L128 L131 N189 G190 C191 I195 P196 L197L128-I193 HydrophobicContact CD1-CG1 4.02Å; L131-I193 HydrophobicContact CD2-CB 3.65Å; L131-I193 HydrophobicContact CD2-CG1 3.88Å; L131-I193 VanDerWaalsContact CD2-N 3.3Å; N189-I193 PolarHBondContact O-N 2.94Å; N189-I193 VanDerWaalsContact O-N 3.15Å; G190-I193 WeakPolarHBondContact O-CG2 3.48Å; C191-I193 VanDerWaalsContact C-N 3.26Å; C191-I193 PolarHBondContact O-N 3.45Å; I193-I195 PolarHBondContact O-N 3.31Å; I193-P196 VanDerWaalsContact O-CD 3.23Å; I193-P196 WeakPolarHBondContact O-CD 3.46Å; I193-P196 WeakPolarHBondContact O-CG 3.5Å; I193-L197 HydrophobicContact CG1-CD1 3.99Å; I193-L197 HydrophobicContact CG2-CD1 4.21Å; I193-L197 WeakPolarHBondContact O-CB 3.49Å; I193-L197 VanDerWaalsContact O-CD1 3.27Å; I193-L197 WeakPolarHBondContact O-CD1 3.31Å; I193-L197 VanDerWaalsContact O-CG 3.29Å; I193-L197 WeakPolarHBondContact O-CG 3.49Å; I193-L197 PolarHBondContact O-N 3.34Å
194F87Confident85.4Confident63 Ų6351.7 Ų51.728%0.27627%0.269SS..Hα-helixtrans-67.2-25.7179.2-61.6-70.3000111.9G190 D192 D198 T205 F209G190-F194 WeakPolarHBondContact O-CD2 3.46Å; G190-F194 VanDerWaalsContact O-CE2 3.3Å; G190-F194 WeakPolarHBondContact O-CE2 3.29Å; D192-F194 VanDerWaalsContact C-N 3.35Å; D192-F194 PolarHBondContact O-N 3.23Å; F194-D198 WeakPolarHBondContact O-CB 3.29Å; F194-D198 PolarHBondContact O-N 3.4Å; F194-T205 HydrophobicContact CD1-CG2 4.22Å; F194-F209 HydrophobicContact CB-CE1 4.25Å; F194-F209 HydrophobicContact CD1-CE1 4.08Å; F194-F209 HydrophobicContact CD2-CE1 4.04Å; F194-F209 HydrophobicContact CE1-CE1 4.47Å; F194-F209 HydrophobicContact CE2-CE1 4.43Å; F194-F209 AromaticContact CG-CE1 3.85Å; F194-F209 HydrophobicContact CG-CE1 3.85Å
195I86.6Confident85.1Confident7 Ų752.1 Ų52.14%0.03627%0.272CS..Hα-helixtrans-66.2-57.8-178.4-54.3167.9000112R19 D192 I193 L197 K199 V210R19-I195 VanDerWaalsContact NH2-CD1 3.26Å; D192-I195 HydrophobicContact CB-CD1 4.43Å; D192-I195 WeakPolarHBondContact O-CB 3.48Å; D192-I195 PolarHBondContact O-N 3.15Å; D192-I195 WeakPolarHBondContact OD1-CD1 3.47Å; I193-I195 PolarHBondContact O-N 3.31Å; I195-L197 VanDerWaalsContact C-N 3.34Å; I195-K199 WeakPolarHBondContact O-CG 3.45Å; I195-K199 PolarHBondContact O-N 3.5Å; I195-K199 VanDerWaalsContact O-N 3.15Å; I195-V210 HydrophobicContact CG1-CG1 4.19Å; I195-V210 HydrophobicContact CG2-CG1 4.42Å
196P87Confident84.9Confident0 Ų051.5 Ų51.50%028%0.275CS..Hα-helixtrans-68.3-31.5175.826.5-33000112.7F124 Y127 L128 D192 I193 D198 K199 L200F124-P196 HydrophobicContact CB-CB 4.49Å; F124-P196 HydrophobicContact CD1-CB 4.34Å; Y127-P196 HydrophobicContact CD1-CB 3.97Å; Y127-P196 HydrophobicContact CD1-CG 3.79Å; Y127-P196 HydrophobicContact CE1-CG 4.15Å; L128-P196 HydrophobicContact CB-CB 4.1Å; L128-P196 HydrophobicContact CB-CG 4.22Å; L128-P196 HydrophobicContact CD1-CB 4.48Å; L128-P196 HydrophobicContact CD1-CG 3.93Å; D192-P196 WeakPolarHBondContact O-CD 3.18Å; I193-P196 VanDerWaalsContact O-CD 3.23Å; I193-P196 WeakPolarHBondContact O-CD 3.46Å; I193-P196 WeakPolarHBondContact O-CG 3.5Å; P196-D198 VanDerWaalsContact C-N 3.33Å; P196-D198 PolarHBondContact O-N 2.89Å; P196-K199 PolarHBondContact O-N 3.22Å; P196-L200 VanDerWaalsContact O-CB 3.25Å; P196-L200 WeakPolarHBondContact O-CB 3.31Å; P196-L200 WeakPolarHBondContact O-CG 3.35Å; P196-L200 PolarHBondContact O-N 3.45Å
197L86.3Confident84.8Confident33 Ų3352.4 Ų52.417%0.17328%0.284CS..Hα-helixtrans-59.7-44.3176.9-81.9164.9000111.9L128 I193 I195 G201 I202 Y203L128-L197 HydrophobicContact CD1-CG 4.33Å; I193-L197 HydrophobicContact CG1-CD1 3.99Å; I193-L197 HydrophobicContact CG2-CD1 4.21Å; I193-L197 WeakPolarHBondContact O-CB 3.49Å; I193-L197 VanDerWaalsContact O-CD1 3.27Å; I193-L197 WeakPolarHBondContact O-CD1 3.31Å; I193-L197 VanDerWaalsContact O-CG 3.29Å; I193-L197 WeakPolarHBondContact O-CG 3.49Å; I193-L197 PolarHBondContact O-N 3.34Å; I195-L197 VanDerWaalsContact C-N 3.34Å; L197-G201 PolarHBondContact O-N 3.43Å; L197-I202 HydrophobicContact CD2-CB 4Å; L197-I202 HydrophobicContact CD2-CD1 4.35Å; L197-I202 HydrophobicContact CD2-CG2 3.88Å; L197-I202 PolarHBondContact O-N 2.97Å; L197-Y203 PolarHBondContact O-N 3.3Å
198D86.6Confident84.7Confident33 Ų3349.1 Ų49.118%0.17627%0.269CS..Hα-helixtrans-67.7-46.1175.9-172.389.4000111.2F194 P196 L200 G201 Y203 T205 G206 V210F194-D198 WeakPolarHBondContact O-CB 3.29Å; F194-D198 PolarHBondContact O-N 3.4Å; P196-D198 VanDerWaalsContact C-N 3.33Å; P196-D198 PolarHBondContact O-N 2.89Å; D198-L200 VanDerWaalsContact C-N 3.31Å; D198-L200 PolarHBondContact O-N 2.88Å; D198-G201 PolarHBondContact O-N 3.4Å; D198-Y203 WeakPolarHBondContact CA-O 3.36Å; D198-T205 PolarHBondContact OD1-N 2.82Å; D198-T205 PolarHBondContact OD1-OG1 2.87Å; D198-G206 PolarHBondContact OD1-N 3.25Å; D198-V210 HydrophobicContact CB-CG2 3.67Å
199K84.7Confident84.7Confident111 Ų11151.5 Ų51.548%0.48328%0.28SS..Hα-helixtrans-67.2-26.6179.9-68.7-63.8-179.5-165.60114.6F124 I195 P196 G201F124-K199 HydrophobicContact CD1-CB 4.19Å; F124-K199 HydrophobicContact CD2-CB 3.77Å; F124-K199 HydrophobicContact CD2-CG 4.41Å; F124-K199 HydrophobicContact CE1-CB 4.22Å; F124-K199 HydrophobicContact CE1-CG 4.06Å; F124-K199 HydrophobicContact CE2-CB 3.78Å; F124-K199 HydrophobicContact CE2-CD 4.35Å; F124-K199 HydrophobicContact CE2-CG 3.93Å; F124-K199 HydrophobicContact CG-CB 4Å; F124-K199 HydrophobicContact CZ-CB 4.02Å; F124-K199 HydrophobicContact CZ-CD 4.34Å; F124-K199 HydrophobicContact CZ-CG 3.75Å; I195-K199 WeakPolarHBondContact O-CG 3.45Å; I195-K199 PolarHBondContact O-N 3.5Å; I195-K199 VanDerWaalsContact O-N 3.15Å; P196-K199 PolarHBondContact O-N 3.22Å; K199-G201 VanDerWaalsContact C-N 3.31Å
200L85.6Confident84.6Confident24 Ų2451.2 Ų51.213%0.12628%0.278CS..THydrogen-bonded Turntrans-84.6-7.4174-68170.9000112.6H121 F124 R125 L128 P196 D198 I202H121-L200 VanDerWaalsContact CE1-CD2 3.43Å; H121-L200 WeakPolarHBondContact CE1-CD2 3.24Å; H121-L200 WeakPolarHBondContact ND1-CD2 3.49Å; F124-L200 HydrophobicContact CB-CD1 4.49Å; F124-L200 HydrophobicContact CB-CD2 3.83Å; F124-L200 HydrophobicContact CB-CG 4Å; R125-L200 HydrophobicContact CG-CD1 4.21Å; R125-L200 HydrophobicContact CG-CD2 3.69Å; L128-L200 HydrophobicContact CB-CD1 4.37Å; L128-L200 HydrophobicContact CD2-CD1 3.86Å; P196-L200 VanDerWaalsContact O-CB 3.25Å; P196-L200 WeakPolarHBondContact O-CB 3.31Å; P196-L200 WeakPolarHBondContact O-CG 3.35Å; P196-L200 PolarHBondContact O-N 3.45Å; D198-L200 VanDerWaalsContact C-N 3.31Å; D198-L200 PolarHBondContact O-N 2.88Å; L200-I202 VanDerWaalsContact C-N 3.27Å; L200-I202 HydrophobicContact CB-CD1 3.87Å; L200-I202 HydrophobicContact CB-CG1 3.92Å; L200-I202 HydrophobicContact CD1-CD1 4.02Å; L200-I202 PolarHBondContact O-N 2.91Å
201G82.4Confident84.6Confident48 Ų4849.8 Ų49.850%0.49526%0.263SS..THydrogen-bonded Turntrans72.716.4-17800000114.2L197 D198 K199L197-G201 PolarHBondContact O-N 3.43Å; D198-G201 PolarHBondContact O-N 3.4Å; K199-G201 VanDerWaalsContact C-N 3.31Å
202I83.4Confident84.8Confident111 Ų11151.2 Ų51.257%0.56927%0.272SS*.SBendtrans-78.3-40.1-179-59.9170.3000110.1L128 L197 L200L128-I202 HydrophobicContact CD2-CD1 4.34Å; L197-I202 HydrophobicContact CD2-CB 4Å; L197-I202 HydrophobicContact CD2-CD1 4.35Å; L197-I202 HydrophobicContact CD2-CG2 3.88Å; L197-I202 PolarHBondContact O-N 2.97Å; L200-I202 VanDerWaalsContact C-N 3.27Å; L200-I202 HydrophobicContact CB-CD1 3.87Å; L200-I202 HydrophobicContact CB-CG1 3.92Å; L200-I202 HydrophobicContact CD1-CD1 4.02Å; L200-I202 PolarHBondContact O-N 2.91Å
203Y81.4Confident84.7Confident144 Ų14451.4 Ų51.457%0.56527%0.273SS*.SBendtrans-143.1112.4179-167.5-109.4000110.3L197 D198 T205L197-Y203 PolarHBondContact O-N 3.3Å; D198-Y203 WeakPolarHBondContact CA-O 3.36Å; Y203-T205 HydrophobicContact CD1-CG2 3.44Å; Y203-T205 VanDerWaalsContact CD1-CG2 3.44Å; Y203-T205 HydrophobicContact CE1-CG2 3.42Å; Y203-T205 VanDerWaalsContact CE1-CG2 3.42Å; Y203-T205 PolarHBondContact O-N 3.36Å
204Q80.2Confident84.6Confident169 Ų16949.3 Ų49.379%0.7926%0.263SS*.  trans-86.692.7-176.1-65.5-177.414.700110.4G206Q204-G206 VanDerWaalsContact C-N 3.34Å
205T76.6Confident84.8Confident34 Ų3448.9 Ų48.921%0.20926%0.263CS..  trans-82.9-15176.639.90000113.4F194 D198 Y203 F209 V210F194-T205 HydrophobicContact CD1-CG2 4.22Å; D198-T205 PolarHBondContact OD1-N 2.82Å; D198-T205 PolarHBondContact OD1-OG1 2.87Å; Y203-T205 HydrophobicContact CD1-CG2 3.44Å; Y203-T205 VanDerWaalsContact CD1-CG2 3.44Å; Y203-T205 HydrophobicContact CE1-CG2 3.42Å; Y203-T205 VanDerWaalsContact CE1-CG2 3.42Å; Y203-T205 PolarHBondContact O-N 3.36Å; T205-F209 HydrophobicContact CG2-CD1 3.74Å; T205-F209 HydrophobicContact CG2-CE1 4.05Å; T205-F209 WeakPolarHBondContact O-CB 3.08Å; T205-V210 VanDerWaalsContact OG1-CG2 3.27Å; T205-V210 WeakPolarHBondContact OG1-CG2 3.42Å
206G81.4Confident84.8Confident26 Ų2653.2 Ų53.227%0.26829%0.285SS..  trans83.3154.7-178.200000112.8D198 Q204 G208 F209 V210D198-G206 PolarHBondContact OD1-N 3.25Å; Q204-G206 VanDerWaalsContact C-N 3.34Å; G206-G208 VanDerWaalsContact C-N 3.32Å; G206-G208 PolarHBondContact O-N 2.88Å; G206-F209 PolarHBondContact O-N 3.29Å; G206-V210 PolarHBondContact O-N 2.88Å
207P81.1Confident84.9Confident66 Ų6653.2 Ų53.243%0.42929%0.285SS..Hα-helixtrans-65.3-31.9-169.524.2-33.8000113.5M26 Y30 G211M26-P207 HydrophobicContact CE-CB 3.64Å; M26-P207 WeakPolarHBondContact CE-O 3.5Å; Y30-P207 HydrophobicContact CD2-CG 3.86Å; Y30-P207 HydrophobicContact CE2-CG 4.24Å; P207-G211 PolarHBondContact O-N 3.34Å
208G84Confident85Confident12 Ų1251.7 Ų51.712%0.12428%0.277CS..Hα-helixtrans-62.2-46.3176.500000112.7L27 G206 G211 T212L27-G208 VanDerWaalsContact CD2-O 3.25Å; L27-G208 WeakPolarHBondContact CD2-O 3.4Å; G206-G208 VanDerWaalsContact C-N 3.32Å; G206-G208 PolarHBondContact O-N 2.88Å; G208-G211 PolarHBondContact O-N 3.24Å; G208-T212 PolarHBondContact O-N 3.39Å; G208-T212 PolarHBondContact O-OG1 2.79Å
209F86.4Confident85.1Confident91 Ų9153.4 Ų53.440%0.39929%0.289SS..Hα-helixtrans-70.6-41.4-179.1-172.3-96000112.2F194 T205 G206 G211 T212 C213F194-F209 HydrophobicContact CB-CE1 4.25Å; F194-F209 HydrophobicContact CD1-CE1 4.08Å; F194-F209 HydrophobicContact CD2-CE1 4.04Å; F194-F209 HydrophobicContact CE1-CE1 4.47Å; F194-F209 HydrophobicContact CE2-CE1 4.43Å; F194-F209 AromaticContact CG-CE1 3.85Å; F194-F209 HydrophobicContact CG-CE1 3.85Å; T205-F209 HydrophobicContact CG2-CD1 3.74Å; T205-F209 HydrophobicContact CG2-CE1 4.05Å; T205-F209 WeakPolarHBondContact O-CB 3.08Å; G206-F209 PolarHBondContact O-N 3.29Å; F209-G211 VanDerWaalsContact C-N 3.26Å; F209-G211 PolarHBondContact O-N 3.43Å; F209-T212 PolarHBondContact O-N 3.48Å; F209-T212 PolarHBondContact O-OG1 3.15Å; F209-C213 WeakPolarHBondContact CE1-SG 3.15Å; F209-C213 WeakPolarHBondContact O-CB 3.39Å; F209-C213 PolarHBondContact O-N 3Å; F209-C213 PolarHBondContact O-SG 2.81Å
210V86.9Confident85.1Confident1 Ų150.1 Ų50.11%0.00628%0.277CS..Hα-helixtrans-61.8-38.9174.4177.30000110.9Y23 M26 I195 D198 T205 G206 G214Y23-V210 HydrophobicContact CE1-CG1 4.45Å; M26-V210 HydrophobicContact CE-CB 4.25Å; M26-V210 HydrophobicContact CE-CG1 4.27Å; I195-V210 HydrophobicContact CG1-CG1 4.19Å; I195-V210 HydrophobicContact CG2-CG1 4.42Å; D198-V210 HydrophobicContact CB-CG2 3.67Å; T205-V210 VanDerWaalsContact OG1-CG2 3.27Å; T205-V210 WeakPolarHBondContact OG1-CG2 3.42Å; G206-V210 PolarHBondContact O-N 2.88Å; V210-G214 PolarHBondContact O-N 3.41Å
211G86Confident85Confident0 Ų049.3 Ų49.30%027%0.273CS..Hα-helixtrans-59.9-47.9174.100000112.8P207 G208 F209 G214 L215P207-G211 PolarHBondContact O-N 3.34Å; G208-G211 PolarHBondContact O-N 3.24Å; F209-G211 VanDerWaalsContact C-N 3.26Å; F209-G211 PolarHBondContact O-N 3.43Å; G211-G214 PolarHBondContact O-N 3.27Å; G211-L215 WeakPolarHBondContact O-CB 3.35Å; G211-L215 PolarHBondContact O-N 3.18Å
212T88.4Confident85.1Confident55 Ų5548.6 Ų48.634%0.33726%0.257SS..Hα-helixtrans-67.9-45.3-18054.80000111.8L27 G208 F209 G214 L215 L216L27-T212 HydrophobicContact CD1-CG2 4.17Å; L27-T212 HydrophobicContact CD2-CG2 3.67Å; G208-T212 PolarHBondContact O-N 3.39Å; G208-T212 PolarHBondContact O-OG1 2.79Å; F209-T212 PolarHBondContact O-N 3.48Å; F209-T212 PolarHBondContact O-OG1 3.15Å; T212-G214 VanDerWaalsContact C-N 3.34Å; T212-G214 PolarHBondContact O-N 2.86Å; T212-L215 PolarHBondContact O-N 3.42Å; T212-L216 WeakPolarHBondContact O-CB 3.32Å; T212-L216 VanDerWaalsContact O-CG 3.29Å; T212-L216 WeakPolarHBondContact O-CG 3.19Å; T212-L216 PolarHBondContact O-N 3.4Å
213C87.8Confident85Confident8 Ų846.2 Ų46.25%0.05425%0.248CC..Hα-helixtrans-60.6-43.3175.8-71.20000111.8C191 F209 L216 S217C191-C213 HydrophobicContact CB-CB 4.32Å; F209-C213 WeakPolarHBondContact CE1-SG 3.15Å; F209-C213 WeakPolarHBondContact O-CB 3.39Å; F209-C213 PolarHBondContact O-N 3Å; F209-C213 PolarHBondContact O-SG 2.81Å; C213-L216 PolarHBondContact O-N 2.84Å; C213-S217 VanDerWaalsContact O-CB 3.3Å; C213-S217 WeakPolarHBondContact O-CB 3.44Å; C213-S217 PolarHBondContact O-N 2.74Å
214G87.4Confident84.9Confident0 Ų040.5 Ų40.50%023%0.228CC..Hα-helixtrans-64.4-40.2176.700000113V210 G211 T212 S218V210-G214 PolarHBondContact O-N 3.41Å; G211-G214 PolarHBondContact O-N 3.27Å; T212-G214 VanDerWaalsContact C-N 3.34Å; T212-G214 PolarHBondContact O-N 2.86Å; G214-S218 WeakPolarHBondContact O-CB 3.24Å; G214-S218 PolarHBondContact O-N 3.02Å; G214-S218 VanDerWaalsContact O-N 3.11Å; G214-S218 PolarHBondContact O-OG 3.49Å
215L89.8Confident84.6Confident54 Ų5434.1 Ų34.128%0.28320%0.199SC..Hα-helixtrans-65.1-50.7175-169.987.4000111A20 A24 L27 G211 T212 S217 S218 V219A20-L215 WeakPolarHBondContact O-CD1 3.44Å; A24-L215 HydrophobicContact CB-CD1 3.93Å; L27-L215 HydrophobicContact CD1-CB 4.29Å; L27-L215 HydrophobicContact CD1-CD2 4.13Å; G211-L215 WeakPolarHBondContact O-CB 3.35Å; G211-L215 PolarHBondContact O-N 3.18Å; T212-L215 PolarHBondContact O-N 3.42Å; L215-S217 PolarHBondContact O-N 3.33Å; L215-S218 WeakPolarHBondContact O-CB 3.43Å; L215-S218 PolarHBondContact O-N 2.63Å; L215-S218 VanDerWaalsContact O-N 3.09Å; L215-V219 WeakPolarHBondContact O-CG2 3.39Å; L215-V219 PolarHBondContact O-N 2.86Å
216L88.2Confident84.5Confident97 Ų9735 Ų3551%0.50820%0.202SC..Hα-helixtrans-57.2-51.4179.8-75.9168.7000111.3T212 C213 S218 V219 L220T212-L216 WeakPolarHBondContact O-CB 3.32Å; T212-L216 VanDerWaalsContact O-CG 3.29Å; T212-L216 WeakPolarHBondContact O-CG 3.19Å; T212-L216 PolarHBondContact O-N 3.4Å; C213-L216 PolarHBondContact O-N 2.84Å; L216-S218 PolarHBondContact O-N 2.89Å; L216-V219 PolarHBondContact O-N 3.1Å; L216-L220 WeakPolarHBondContact O-CG 3.21Å; L216-L220 PolarHBondContact O-N 2.9Å
217S89.1Confident83.9Confident0 Ų038.5 Ų38.50%021%0.211CC..Hα-helixtrans-57.5-37.6176169.30000112.5K188 D192 C213 L215 S221K188-S217 WeakPolarHBondContact CG-OG 3.27Å; D192-S217 WeakPolarHBondContact OD1-CB 3.31Å; D192-S217 PolarHBondContact OD1-OG 2.93Å; D192-S217 PolarHBondContact OD2-OG 3.33Å; C213-S217 VanDerWaalsContact O-CB 3.3Å; C213-S217 WeakPolarHBondContact O-CB 3.44Å; C213-S217 PolarHBondContact O-N 2.74Å; L215-S217 PolarHBondContact O-N 3.33Å; S217-S221 VanDerWaalsContact O-CB 3.22Å; S217-S221 WeakPolarHBondContact O-CB 3.34Å; S217-S221 PolarHBondContact O-N 3.43Å
218S87.8Confident83Confident1 Ų139.5 Ų39.51%0.00722%0.217CC..Hα-helixtrans-68.8-43177.7-56.60000112.2R19 G214 L215 L216 S221 I222R19-S218 VanDerWaalsContact CD-OG 3.26Å; R19-S218 WeakPolarHBondContact CD-OG 3.37Å; R19-S218 WeakPolarHBondContact CG-OG 3.41Å; G214-S218 WeakPolarHBondContact O-CB 3.24Å; G214-S218 PolarHBondContact O-N 3.02Å; G214-S218 VanDerWaalsContact O-N 3.11Å; G214-S218 PolarHBondContact O-OG 3.49Å; L215-S218 WeakPolarHBondContact O-CB 3.43Å; L215-S218 PolarHBondContact O-N 2.63Å; L215-S218 VanDerWaalsContact O-N 3.09Å; L216-S218 PolarHBondContact O-N 2.89Å; S218-S221 CarbonylContact O-C 3.23Å; S218-S221 WeakPolarHBondContact O-CB 3.48Å; S218-S221 PolarHBondContact O-N 3.42Å; S218-I222 WeakPolarHBondContact O-CG1 3.5Å; S218-I222 PolarHBondContact O-N 2.82Å
219V87.6Confident81.8Confident70 Ų7050.4 Ų50.442%0.42426%0.255SS..Hα-helixtrans-62.5-48176172.90000110.3L215 L216 S221 I222 V223L215-V219 WeakPolarHBondContact O-CG2 3.39Å; L215-V219 PolarHBondContact O-N 2.86Å; L216-V219 PolarHBondContact O-N 3.1Å; V219-S221 PolarHBondContact O-N 3.49Å; V219-I222 PolarHBondContact O-N 3.01Å; V219-V223 HydrophobicContact CG1-CG2 4.39Å; V219-V223 WeakPolarHBondContact O-CG2 3.49Å; V219-V223 PolarHBondContact O-N 2.94Å
220L85.1Confident80.4Confident42 Ų4248 Ų4822%0.2225%0.246CC..Hα-helixtrans-57.1-40.2174.3-66.4175.9000111.3L184 L187 L216 I222 V223 T224L184-L220 HydrophobicContact CD2-CD2 3.84Å; L187-L220 HydrophobicContact CB-CD1 4.16Å; L216-L220 WeakPolarHBondContact O-CG 3.21Å; L216-L220 PolarHBondContact O-N 2.9Å; L220-I222 PolarHBondContact O-N 3.22Å; L220-V223 PolarHBondContact O-N 2.81Å; L220-T224 WeakPolarHBondContact O-CB 3.38Å; L220-T224 VanDerWaalsContact O-CG2 3.29Å; L220-T224 WeakPolarHBondContact O-CG2 3.37Å; L220-T224 PolarHBondContact O-N 3.32Å; L220-T224 PolarHBondContact O-OG1 2.79Å
221S83.8Confident78.7Confident6 Ų655.2 Ų55.24%0.04228%0.277CS..Hα-helixtrans-67.1-32.6176.2-162.30000113R16 K188 S217 S218 V219 T224 M225R16-S221 VanDerWaalsContact CD-OG 3.3Å; R16-S221 WeakPolarHBondContact CD-OG 3.42Å; R16-S221 VanDerWaalsContact CZ-OG 3.23Å; R16-S221 PolarHBondContact NE-OG 2.92Å; R16-S221 PolarHBondContact NH1-O 2.88Å; R16-S221 PolarHBondContact NH1-OG 3.28Å; K188-S221 PolarHBondContact NZ-OG 3.48Å; S217-S221 VanDerWaalsContact O-CB 3.22Å; S217-S221 WeakPolarHBondContact O-CB 3.34Å; S217-S221 PolarHBondContact O-N 3.43Å; S218-S221 CarbonylContact O-C 3.23Å; S218-S221 WeakPolarHBondContact O-CB 3.48Å; S218-S221 PolarHBondContact O-N 3.42Å; V219-S221 PolarHBondContact O-N 3.49Å; S221-T224 WeakPolarHBondContact CA-OG1 3.44Å; S221-T224 PolarHBondContact O-OG1 3.21Å; S221-M225 WeakPolarHBondContact O-CB 3.22Å; S221-M225 PolarHBondContact O-N 3.45Å
222I84.6Confident76.9Confident33 Ų3357 Ų5717%0.16929%0.287CS..Hα-helixtrans-73-45.4175.1-68.1163.8000109.8F7 R16 V17 A20 S218 V219 L220 T224 M225 L226F7-I222 HydrophobicContact CE2-CG2 4.24Å; F7-I222 HydrophobicContact CZ-CG1 4.38Å; F7-I222 HydrophobicContact CZ-CG2 4.15Å; R16-I222 HydrophobicContact CB-CG1 3.92Å; V17-I222 HydrophobicContact CG2-CD1 4.32Å; A20-I222 HydrophobicContact CB-CD1 4.32Å; S218-I222 WeakPolarHBondContact O-CG1 3.5Å; S218-I222 PolarHBondContact O-N 2.82Å; V219-I222 PolarHBondContact O-N 3.01Å; L220-I222 PolarHBondContact O-N 3.22Å; I222-T224 PolarHBondContact O-N 3.38Å; I222-M225 WeakPolarHBondContact O-CB 3.38Å; I222-M225 PolarHBondContact O-N 2.93Å; I222-M225 VanDerWaalsContact O-N 3.08Å; I222-L226 HydrophobicContact CG2-CD1 3.88Å; I222-L226 HydrophobicContact CG2-CG 4.41Å; I222-L226 WeakPolarHBondContact O-CG 3.45Å; I222-L226 PolarHBondContact O-N 2.91Å
223V81.9Confident75Confident61 Ų6163.3 Ų63.337%0.3731%0.31SS..Hα-helixtrans-59.8-47.6179.3173.10000111.4V219 L220 M225 L226 H227V219-V223 HydrophobicContact CG1-CG2 4.39Å; V219-V223 WeakPolarHBondContact O-CG2 3.49Å; V219-V223 PolarHBondContact O-N 2.94Å; L220-V223 PolarHBondContact O-N 2.81Å; V223-M225 PolarHBondContact O-N 3.44Å; V223-L226 PolarHBondContact O-N 3.42Å; V223-H227 PolarHBondContact O-CD2 2.78Å; V223-H227 PolarHBondContact O-N 3.24Å
224T79.1Confident72.9Confident24 Ų2469.2 Ų69.215%0.14735%0.348CS..Hα-helixtrans-60.8-26176.247.50000113.5L184 L220 S221 I222L184-T224 HydrophobicContact CB-CG2 4Å; L184-T224 HydrophobicContact CD1-CG2 3.66Å; L184-T224 HydrophobicContact CG-CG2 4.36Å; L220-T224 WeakPolarHBondContact O-CB 3.38Å; L220-T224 VanDerWaalsContact O-CG2 3.29Å; L220-T224 WeakPolarHBondContact O-CG2 3.37Å; L220-T224 PolarHBondContact O-N 3.32Å; L220-T224 PolarHBondContact O-OG1 2.79Å; S221-T224 WeakPolarHBondContact CA-OG1 3.44Å; S221-T224 PolarHBondContact O-OG1 3.21Å; I222-T224 PolarHBondContact O-N 3.38Å
225M74.1Confident72.2Confident36 Ų3672.7 Ų72.718%0.17737%0.365CS..Hα-helixtrans-84.7-34179.2-165.8166.3159.800112.5F7 Q10 S221 I222 V223 H227F7-M225 HydrophobicContact CD2-CB 4.32Å; F7-M225 HydrophobicContact CD2-CE 3.79Å; F7-M225 HydrophobicContact CD2-CG 3.95Å; F7-M225 HydrophobicContact CD2-SD 3.85Å; F7-M225 HydrophobicContact CE2-CB 4.39Å; F7-M225 HydrophobicContact CE2-CE 4.24Å; F7-M225 HydrophobicContact CE2-CG 4.3Å; F7-M225 HydrophobicContact CE2-SD 3.84Å; Q10-M225 HydrophobicContact CB-CE 3.77Å; Q10-M225 HydrophobicContact CG-CE 3.82Å; S221-M225 WeakPolarHBondContact O-CB 3.22Å; S221-M225 PolarHBondContact O-N 3.45Å; I222-M225 WeakPolarHBondContact O-CB 3.38Å; I222-M225 PolarHBondContact O-N 2.93Å; I222-M225 VanDerWaalsContact O-N 3.08Å; V223-M225 PolarHBondContact O-N 3.44Å; M225-H227 VanDerWaalsContact C-N 3.33Å
226L73.8Confident71.3Confident53 Ų5373.6 Ų73.628%0.27737%0.369SS..Hα-helixtrans-72.6-29.1174.9-68.8171.8000112F7 I222 V223 P228F7-L226 HydrophobicContact CB-CD2 4Å; F7-L226 HydrophobicContact CD2-CD2 4.16Å; F7-L226 HydrophobicContact CG-CD2 4.05Å; I222-L226 HydrophobicContact CG2-CD1 3.88Å; I222-L226 HydrophobicContact CG2-CG 4.41Å; I222-L226 WeakPolarHBondContact O-CG 3.45Å; I222-L226 PolarHBondContact O-N 2.91Å; V223-L226 PolarHBondContact O-N 3.42Å; L226-P228 VanDerWaalsContact O-CD 3.28Å; L226-P228 WeakPolarHBondContact O-CD 3.32Å
227H68.6Low70.3Confident99 Ų9972.3 Ų72.346%0.45836%0.362SS..  trans-112.388.6176.6-63.9-79.4000111.4V223 M225 W229 L230V223-H227 PolarHBondContact O-CD2 2.78Å; V223-H227 PolarHBondContact O-N 3.24Å; M225-H227 VanDerWaalsContact C-N 3.33Å; H227-W229 PolarHBondContact O-N 3.02Å; H227-W229 VanDerWaalsContact O-N 3.08Å; H227-L230 HydrophobicContact CB-CB 4.47Å; H227-L230 HydrophobicContact CB-CD1 3.59Å; H227-L230 HydrophobicContact CB-CG 4.4Å; H227-L230 WeakPolarHBondContact O-CB 3.34Å; H227-L230 PolarHBondContact O-N 3.38Å
228P62Low69.2Low86 Ų8676.6 Ų76.656%0.55838%0.383SS*.G310 helixtrans-63.3-18.1-177.723.6-32.9000114.2L226 L230 K231L226-P228 VanDerWaalsContact O-CD 3.28Å; L226-P228 WeakPolarHBondContact O-CD 3.32Å; P228-L230 PolarHBondContact O-N 2.97Å; P228-K231 WeakPolarHBondContact O-CB 3.49Å; P228-K231 PolarHBondContact O-N 3.1Å
229W58.8Low68.1Low241 Ų24181.3 Ų81.391%0.91341%0.406SS*.G310 helixtrans-64.4-19.7171.6-51.989.7000113.4H227H227-W229 PolarHBondContact O-N 3.02Å; H227-W229 VanDerWaalsContact O-N 3.08Å
230L56.7Low66.8Low41 Ų4182.1 Ų82.122%0.21541%0.405CS..G310 helixtrans-96.75.6178.8-75.4153.5000112.6P180 P181 L184 H227 P228 L232P180-L230 HydrophobicContact CB-CD2 3.59Å; P180-L230 HydrophobicContact CG-CD2 3.99Å; P181-L230 WeakPolarHBondContact CB-O 3.33Å; L184-L230 HydrophobicContact CD1-CB 4.11Å; L184-L230 HydrophobicContact CD1-CD1 4.48Å; L184-L230 HydrophobicContact CD1-CD2 3.64Å; L184-L230 HydrophobicContact CD1-CG 4.3Å; H227-L230 HydrophobicContact CB-CB 4.47Å; H227-L230 HydrophobicContact CB-CD1 3.59Å; H227-L230 HydrophobicContact CB-CG 4.4Å; H227-L230 WeakPolarHBondContact O-CB 3.34Å; H227-L230 PolarHBondContact O-N 3.38Å; P228-L230 PolarHBondContact O-N 2.97Å; L230-L232 PolarHBondContact O-N 3.45Å
231K52.9Low65.5Low152 Ų15284.9 Ų84.966%0.66142%0.418SS*.  trans-85.3113.9178.5-165.2177.5-178.6-1750109.2P228 K233P228-K231 WeakPolarHBondContact O-CB 3.49Å; P228-K231 PolarHBondContact O-N 3.1Å; K231-K233 PolarHBondContact O-N 3.47Å; K231-K233 VanDerWaalsContact O-N 3.15Å
232L48Very low64.1Low39 Ų3991 Ų9120%0.20445%0.447CS..  trans-56.4119.4170.7-154.880.9000108P181 L182 L230P181-L232 HydrophobicContact CB-CB 3.87Å; P181-L232 HydrophobicContact CB-CD1 3.51Å; P181-L232 HydrophobicContact CB-CG 4.31Å; P181-L232 HydrophobicContact CG-CD1 3.59Å; L182-L232 HydrophobicContact CB-CD1 4.1Å; L230-L232 PolarHBondContact O-N 3.45Å
233K49.1Very low62.4Low187 Ų18795.8 Ų95.881%0.81347%0.47SS*.  trans-91.6127.5169.1-73.5-179-179.2176.90106.6K231K231-K233 PolarHBondContact O-N 3.47Å; K231-K233 VanDerWaalsContact O-N 3.15Å
234P43.3Very low60.6Low131 Ų13199 Ų9985%0.85148%0.48SS*.  trans-65.90167.832.1-34.8000110.9

Retrieved 234 of 234 residues in 81.1 ms (Link to these results)

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