A0A3B3UC52_9TELE Loading...

Receptor expression-enhancing protein

Plays an essential role in heart function and development by regulating the organization and function of the sarcoplasmic reticulum in cardiomyocytes.

AlphaFold DB , UniProt , Accession A0A3B3UC52, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 189 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.6Very low65.3Low227 Ų227126.4 Ų126.4100%1.11862%0.623SS**  0-46.40-76.1-152-81.300113.5Q3 L5M1-Q3 PolarHBondContact O-N 3.47Å; M1-L5 PolarHBondContact O-N 3.09Å
2A49.6Very low65.6Low79 Ų79123.7 Ų123.765%0.65361%0.605SS**Hα-helixtrans-65.1-34.8-179.200000115.3L5 K6A2-L5 PolarHBondContact O-N 3.09Å; A2-K6 PolarHBondContact O-N 3.31Å; A2-K6 VanDerWaalsContact O-N 3.09Å
3Q56.5Low65.6Low164 Ų164114.8 Ų114.877%0.76656%0.562SS**Hα-helixtrans-65.8-46.3178.5-79.1171.7-28.100112.6M1 L5 K6 E7M1-Q3 PolarHBondContact O-N 3.47Å; Q3-L5 VanDerWaalsContact C-N 3.27Å; Q3-L5 PolarHBondContact O-N 3.16Å; Q3-K6 WeakPolarHBondContact O-CB 3.43Å; Q3-K6 PolarHBondContact O-N 2.98Å; Q3-K6 VanDerWaalsContact O-N 3.16Å; Q3-E7 PolarHBondContact O-N 3.39Å
4G67.6Low65.8Low35 Ų35114.9 Ų114.936%0.36156%0.56SS.*Hα-helixtrans-65.3-27.3176.300000113.9R8G4-R8 VanDerWaalsContact O-CG 3.27Å; G4-R8 WeakPolarHBondContact O-CG 3Å; G4-R8 PolarHBondContact O-N 3.38Å; G4-R8 VanDerWaalsContact O-N 3.15Å
5L64.6Low66.4Low125 Ų125114.1 Ų114.165%0.65456%0.555SS**Hα-helixtrans-71.1-42.8172.6-170.772.2000111.3M1 A2 Q3 R8 F9M1-L5 PolarHBondContact O-N 3.09Å; A2-L5 PolarHBondContact O-N 3.09Å; Q3-L5 VanDerWaalsContact C-N 3.27Å; Q3-L5 PolarHBondContact O-N 3.16Å; L5-R8 PolarHBondContact O-N 3.4Å; L5-F9 VanDerWaalsContact O-CB 3.31Å; L5-F9 WeakPolarHBondContact O-CB 3.38Å; L5-F9 PolarHBondContact O-N 2.86Å
6K67.5Low65.9Low151 Ų151119.3 Ų119.366%0.65757%0.574SS**Hα-helixtrans-59.3-47.7174.1-83.6-171.6171.7-171.10111.7A2 Q3 R8 F9 E10A2-K6 PolarHBondContact O-N 3.31Å; A2-K6 VanDerWaalsContact O-N 3.09Å; Q3-K6 WeakPolarHBondContact O-CB 3.43Å; Q3-K6 PolarHBondContact O-N 2.98Å; Q3-K6 VanDerWaalsContact O-N 3.16Å; K6-R8 PolarHBondContact O-N 3.39Å; K6-F9 PolarHBondContact O-N 3.22Å; K6-E10 WeakPolarHBondContact O-CG 3.42Å; K6-E10 PolarHBondContact O-N 2.87Å
7E74.1Confident65.9Low137 Ų137115.8 Ų115.864%0.6456%0.559SS**Hα-helixtrans-62.9-40.9179.2-75.3175.7164.500112.7Q3 E10 K11Q3-E7 PolarHBondContact O-N 3.39Å; E7-E10 PolarHBondContact O-N 3.16Å; E7-K11 VanDerWaalsContact O-CB 3.29Å; E7-K11 WeakPolarHBondContact O-CB 3.48Å; E7-K11 PolarHBondContact O-N 3.06Å
8R71.1Confident66.1Low141 Ų141118 Ų11853%0.53257%0.573SS.*Hα-helixtrans-66.3-39.3175.5-71.8178.998.4-1601.1111.8G4 L5 K6 K11 F12 P127G4-R8 VanDerWaalsContact O-CG 3.27Å; G4-R8 WeakPolarHBondContact O-CG 3Å; G4-R8 PolarHBondContact O-N 3.38Å; G4-R8 VanDerWaalsContact O-N 3.15Å; L5-R8 PolarHBondContact O-N 3.4Å; K6-R8 PolarHBondContact O-N 3.39Å; R8-K11 PolarHBondContact O-N 2.94Å; R8-F12 WeakPolarHBondContact O-CB 3.48Å; R8-F12 PolarHBondContact O-N 3.11Å; R8-P127 PolarHBondContact NH2-O 3.02Å; R8-P127 VanDerWaalsContact NH2-O 3.12Å
9F70.3Confident66.2Low74 Ų74119.6 Ų119.633%0.32558%0.582SS.*Hα-helixtrans-65.2-46.4176.3-173.6-108.8000111.4L5 K6 K11 F12 L13 T35 A38 I42L5-F9 VanDerWaalsContact O-CB 3.31Å; L5-F9 WeakPolarHBondContact O-CB 3.38Å; L5-F9 PolarHBondContact O-N 2.86Å; K6-F9 PolarHBondContact O-N 3.22Å; F9-K11 PolarHBondContact O-N 3.45Å; F9-F12 WeakPolarHBondContact O-CB 3.34Å; F9-F12 PolarHBondContact O-N 3.43Å; F9-L13 HydrophobicContact CD1-CD1 3.75Å; F9-L13 HydrophobicContact CD1-CG 4.31Å; F9-L13 HydrophobicContact CE1-CD1 3.5Å; F9-L13 VanDerWaalsContact CE1-CD1 3.5Å; F9-L13 HydrophobicContact CE1-CD2 4.47Å; F9-L13 HydrophobicContact CE1-CG 4.14Å; F9-L13 HydrophobicContact CZ-CD1 4.14Å; F9-L13 HydrophobicContact CZ-CD2 4.3Å; F9-L13 HydrophobicContact CZ-CG 4.37Å; F9-L13 WeakPolarHBondContact O-CG 3.22Å; F9-L13 PolarHBondContact O-N 3.47Å; F9-T35 HydrophobicContact CE1-CG2 4.49Å; F9-A38 HydrophobicContact CE1-CB 4.22Å; F9-A38 HydrophobicContact CZ-CB 3.93Å; F9-I42 HydrophobicContact CE2-CD1 4.3Å; F9-I42 HydrophobicContact CZ-CD1 3.94Å
10E72.9Confident66.7Low88 Ų88114 Ų11441%0.41156%0.555SS.*Hα-helixtrans-61.4-43.9174.8-74.2-170.9170.400111.7K6 E7 F12 L13 H14K6-E10 WeakPolarHBondContact O-CG 3.42Å; K6-E10 PolarHBondContact O-N 2.87Å; E7-E10 PolarHBondContact O-N 3.16Å; E10-F12 VanDerWaalsContact C-N 3.27Å; E10-F12 PolarHBondContact O-N 3.42Å; E10-L13 WeakPolarHBondContact O-CB 3.45Å; E10-L13 PolarHBondContact O-N 2.94Å; E10-L13 VanDerWaalsContact O-N 3.1Å; E10-H14 PolarHBondContact O-CD2 3.1Å; E10-H14 PolarHBondContact O-N 3.09Å; E10-H14 VanDerWaalsContact O-N 3.11Å
11K74.9Confident67.3Low169 Ų169113.4 Ų113.474%0.73555%0.554SS**Hα-helixtrans-58.3-40.7175.3-170.5175.8-179.11790112.2E7 R8 F9 H14 E15E7-K11 VanDerWaalsContact O-CB 3.29Å; E7-K11 WeakPolarHBondContact O-CB 3.48Å; E7-K11 PolarHBondContact O-N 3.06Å; R8-K11 PolarHBondContact O-N 2.94Å; F9-K11 PolarHBondContact O-N 3.45Å; K11-H14 PolarHBondContact O-N 3.18Å; K11-E15 PolarHBondContact O-N 3.16Å
12F69.2Low68.8Low94 Ų94105.1 Ų105.141%0.41252%0.522SS..Hα-helixtrans-67.4-37.7175.6-173.1-101.5000112.4R8 F9 E10 H14 E15R8-F12 WeakPolarHBondContact O-CB 3.48Å; R8-F12 PolarHBondContact O-N 3.11Å; F9-F12 WeakPolarHBondContact O-CB 3.34Å; F9-F12 PolarHBondContact O-N 3.43Å; E10-F12 VanDerWaalsContact C-N 3.27Å; E10-F12 PolarHBondContact O-N 3.42Å; F12-H14 PolarHBondContact O-N 2.75Å; F12-E15 PolarHBondContact O-N 3.07Å
13L64.9Low70.2Confident8 Ų8102.8 Ų102.84%0.04250%0.498CS..Hα-helixtrans-66.9-18.3175.5-69.9175.6000113.6F9 E10 T20 L23 T35 A38F9-L13 HydrophobicContact CD1-CD1 3.75Å; F9-L13 HydrophobicContact CD1-CG 4.31Å; F9-L13 HydrophobicContact CE1-CD1 3.5Å; F9-L13 VanDerWaalsContact CE1-CD1 3.5Å; F9-L13 HydrophobicContact CE1-CD2 4.47Å; F9-L13 HydrophobicContact CE1-CG 4.14Å; F9-L13 HydrophobicContact CZ-CD1 4.14Å; F9-L13 HydrophobicContact CZ-CD2 4.3Å; F9-L13 HydrophobicContact CZ-CG 4.37Å; F9-L13 WeakPolarHBondContact O-CG 3.22Å; F9-L13 PolarHBondContact O-N 3.47Å; E10-L13 WeakPolarHBondContact O-CB 3.45Å; E10-L13 PolarHBondContact O-N 2.94Å; E10-L13 VanDerWaalsContact O-N 3.1Å; L13-T20 WeakPolarHBondContact O-CG2 3.34Å; L13-L23 HydrophobicContact CD2-CD1 3.74Å; L13-T35 HydrophobicContact CD1-CG2 4.45Å; L13-A38 HydrophobicContact CD1-CB 4.32Å; L13-A38 HydrophobicContact CD2-CB 3.87Å
14H68.9Low71.3Confident116 Ų11696.1 Ų96.154%0.53747%0.471SS..THydrogen-bonded Turntrans-106.40.3178.5-69.5-66000113.9E10 K11 F12E10-H14 PolarHBondContact O-CD2 3.1Å; E10-H14 PolarHBondContact O-N 3.09Å; E10-H14 VanDerWaalsContact O-N 3.11Å; K11-H14 PolarHBondContact O-N 3.18Å; F12-H14 PolarHBondContact O-N 2.75Å
15E74.4Confident72.1Confident104 Ų104101.1 Ų101.149%0.48648%0.483SS..SBendtrans-76.4130.2176.2-170.3170.6-153.100110.6K11 F12 N17 T20K11-E15 PolarHBondContact O-N 3.16Å; F12-E15 PolarHBondContact O-N 3.07Å; E15-N17 PolarHBondContact O-N 3.42Å; E15-T20 WeakPolarHBondContact O-CB 3.25Å; E15-T20 WeakPolarHBondContact O-CG2 3.32Å; E15-T20 PolarHBondContact O-OG1 3.35Å
16K57.8Low72.9Confident196 Ų19698.3 Ų98.385%0.85247%0.471SS*.SBendtrans-62.196.2-177.1-79.4-171.1176.4-1760112
17N66.4Low73.8Confident60 Ų6093.8 Ų93.832%0.32145%0.452SS..SBendtrans-140.5162.3177-79-43.5000110.7E15 M19 T20 D21E15-N17 PolarHBondContact O-N 3.42Å; N17-M19 PolarHBondContact O-N 3.26Å; N17-M19 VanDerWaalsContact O-N 3.17Å; N17-T20 PolarHBondContact N-OG1 3.49Å; N17-T20 PolarHBondContact O-N 2.92Å; N17-T20 PolarHBondContact O-OG1 2.85Å; N17-D21 PolarHBondContact O-N 2.92Å
18L69.7Low74.3Confident156 Ų15691.5 Ų91.582%0.81746%0.457SS*.Hα-helixtrans-56.7-35.9179.9-132.6145000112.7A22L18-A22 PolarHBondContact O-N 3.43Å
19M68.3Low75.1Confident149 Ų14994.8 Ų94.873%0.73447%0.469SS*.Hα-helixtrans-65.4-41.6173.8-78.5-74.7-138.900112.8N17 A22 L23N17-M19 PolarHBondContact O-N 3.26Å; N17-M19 VanDerWaalsContact O-N 3.17Å; M19-A22 PolarHBondContact O-N 3.25Å; M19-L23 WeakPolarHBondContact O-CB 3.39Å; M19-L23 WeakPolarHBondContact O-CD1 3.47Å; M19-L23 WeakPolarHBondContact O-CG 3.27Å; M19-L23 PolarHBondContact O-N 3.41Å
20T75.2Confident75.8Confident7 Ų795.1 Ų95.14%0.04348%0.477CS..Hα-helixtrans-75.6-29.3-178.159.20000112L13 E15 N17 L23 A24L13-T20 WeakPolarHBondContact O-CG2 3.34Å; E15-T20 WeakPolarHBondContact O-CB 3.25Å; E15-T20 WeakPolarHBondContact O-CG2 3.32Å; E15-T20 PolarHBondContact O-OG1 3.35Å; N17-T20 PolarHBondContact N-OG1 3.49Å; N17-T20 PolarHBondContact O-N 2.92Å; N17-T20 PolarHBondContact O-OG1 2.85Å; T20-L23 PolarHBondContact O-N 3.49Å; T20-A24 VanDerWaalsContact O-CB 3.23Å; T20-A24 WeakPolarHBondContact O-CB 3.46Å; T20-A24 PolarHBondContact O-N 2.92Å
21D80.2Confident76.2Confident101 Ų10194.4 Ų94.454%0.5449%0.494SS..Hα-helixtrans-69.7-39.9173.4-69.7-17.1000111.1N17 A24 K25N17-D21 PolarHBondContact O-N 2.92Å; D21-A24 PolarHBondContact O-N 3.32Å; D21-K25 WeakPolarHBondContact O-CB 3.34Å; D21-K25 PolarHBondContact O-N 2.91Å
22A80Confident76.6Confident54 Ų5489.5 Ų89.545%0.44648%0.478SS..Hα-helixtrans-62-47.5170.700000111.3L18 M19 A24 K25 V26L18-A22 PolarHBondContact O-N 3.43Å; M19-A22 PolarHBondContact O-N 3.25Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 2.92Å; A22-K25 PolarHBondContact O-N 3.44Å; A22-V26 WeakPolarHBondContact O-CG2 3.41Å; A22-V26 PolarHBondContact O-N 2.87Å
23L79.6Confident77.3Confident29 Ų2987.2 Ų87.215%0.15247%0.473CS..Hα-helixtrans-60.4-40.6175.6-77.3161.1000112.2L13 M19 T20 K25 V26 E27 R34 I37L13-L23 HydrophobicContact CD2-CD1 3.74Å; M19-L23 WeakPolarHBondContact O-CB 3.39Å; M19-L23 WeakPolarHBondContact O-CD1 3.47Å; M19-L23 WeakPolarHBondContact O-CG 3.27Å; M19-L23 PolarHBondContact O-N 3.41Å; T20-L23 PolarHBondContact O-N 3.49Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 3.21Å; L23-V26 PolarHBondContact O-N 3.4Å; L23-E27 WeakPolarHBondContact O-CB 3.4Å; L23-E27 PolarHBondContact O-N 3.43Å; L23-R34 HydrophobicContact CB-CB 4.49Å; L23-R34 HydrophobicContact CB-CG 4.21Å; L23-I37 HydrophobicContact CD2-CB 4.31Å; L23-I37 HydrophobicContact CD2-CG2 3.86Å
24A80.3Confident78Confident24 Ų2489.1 Ų89.120%0.19848%0.48CS..Hα-helixtrans-61.2-42.3175.400000112T20 D21 A22 V26 E27 A28 R34T20-A24 VanDerWaalsContact O-CB 3.23Å; T20-A24 WeakPolarHBondContact O-CB 3.46Å; T20-A24 PolarHBondContact O-N 2.92Å; D21-A24 PolarHBondContact O-N 3.32Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 2.92Å; A24-V26 VanDerWaalsContact C-N 3.34Å; A24-E27 PolarHBondContact O-N 3.25Å; A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.24Å; A24-A28 PolarHBondContact O-N 3.26Å; A24-R34 VanDerWaalsContact CA-CZ 3.49Å
25K84.2Confident78.4Confident141 Ų14185.5 Ų85.561%0.61347%0.466SS*.Hα-helixtrans-67.8-35.5178.3-167.3173.7-174.9175.40112.1D21 A22 L23 R29D21-K25 WeakPolarHBondContact O-CB 3.34Å; D21-K25 PolarHBondContact O-N 2.91Å; A22-K25 PolarHBondContact O-N 3.44Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 3.21Å; K25-R29 WeakPolarHBondContact O-CG 3.39Å; K25-R29 PolarHBondContact O-N 2.78Å
26V81.6Confident78.9Confident65 Ų6588.7 Ų88.739%0.39448%0.475SS..Hα-helixtrans-72.4-43.5175.5177.80000110.8A22 L23 A24 A28 R29 T30 I37A22-V26 WeakPolarHBondContact O-CG2 3.41Å; A22-V26 PolarHBondContact O-N 2.87Å; L23-V26 PolarHBondContact O-N 3.4Å; A24-V26 VanDerWaalsContact C-N 3.34Å; V26-A28 PolarHBondContact O-N 3.11Å; V26-R29 PolarHBondContact O-N 3.29Å; V26-T30 HydrophobicContact CG1-CG2 4.09Å; V26-T30 WeakPolarHBondContact O-CB 3.43Å; V26-T30 WeakPolarHBondContact O-CG2 3.27Å; V26-T30 PolarHBondContact O-N 3.28Å; V26-T30 PolarHBondContact O-OG1 3.24Å; V26-I37 HydrophobicContact CB-CD1 4.42Å; V26-I37 HydrophobicContact CG1-CD1 3.82Å; V26-I37 HydrophobicContact CG1-CG2 4.36Å
27E85.6Confident80.1Confident56 Ų5681 Ų8126%0.26244%0.443SS..Hα-helixtrans-57.3-48.2173.3172.1179.3-123.100111L23 A24 R29 T30 G31 V32 R34 I37L23-E27 WeakPolarHBondContact O-CB 3.4Å; L23-E27 PolarHBondContact O-N 3.43Å; A24-E27 PolarHBondContact O-N 3.25Å; E27-R29 PolarHBondContact O-N 3.42Å; E27-R29 VanDerWaalsContact O-N 3.17Å; E27-T30 PolarHBondContact O-N 2.86Å; E27-G31 WeakPolarHBondContact O-CA 3.39Å; E27-G31 PolarHBondContact O-N 2.87Å; E27-V32 WeakPolarHBondContact CG-O 3.31Å; E27-R34 HydrophobicContact CB-CG 4.02Å; E27-R34 HydrophobicContact CG-CG 4.41Å; E27-R34 WeakPolarHBondContact OE2-CG 3.47Å; E27-R34 IonicContact OE2-CZ 3.24Å; E27-R34 VanDerWaalsContact OE2-CZ 3.24Å; E27-R34 IonicContact OE2-NE 2.66Å; E27-R34 PolarHBondContact OE2-NE 2.83Å; E27-R34 IonicContact OE2-NH2 2.94Å; E27-R34 PolarHBondContact OE2-NH2 3.15Å; E27-I37 HydrophobicContact CB-CD1 4.46Å
28A84.9Confident80.8Confident89 Ų8978.6 Ų78.674%0.73643%0.432SS*.Hα-helixtrans-61.9-25.4179.500000113.6A24 V26A24-A28 VanDerWaalsContact O-CB 3.31Å; A24-A28 WeakPolarHBondContact O-CB 3.24Å; A24-A28 PolarHBondContact O-N 3.26Å; V26-A28 PolarHBondContact O-N 3.11Å
29R87.8Confident81.5Confident210 Ų21073.6 Ų73.679%0.79241%0.413SS*.Hα-helixtrans-91.9-33177.4-74.9-161.8-179.5-165.50.2114.2K25 V26 E27K25-R29 WeakPolarHBondContact O-CG 3.39Å; K25-R29 PolarHBondContact O-N 2.78Å; V26-R29 PolarHBondContact O-N 3.29Å; E27-R29 PolarHBondContact O-N 3.42Å; E27-R29 VanDerWaalsContact O-N 3.17Å
30T85.1Confident82.4Confident81 Ų8168.1 Ų68.150%0.49739%0.394SS..Hα-helixtrans-100.4-18.8-172.658.90000113.1V26 E27 V32V26-T30 HydrophobicContact CG1-CG2 4.09Å; V26-T30 WeakPolarHBondContact O-CB 3.43Å; V26-T30 WeakPolarHBondContact O-CG2 3.27Å; V26-T30 PolarHBondContact O-N 3.28Å; V26-T30 PolarHBondContact O-OG1 3.24Å; E27-T30 PolarHBondContact O-N 2.86Å; T30-V32 PolarHBondContact O-N 3.46Å
31G80.8Confident82.9Confident74 Ų7471.9 Ų71.976%0.76342%0.417SS*.  trans71.63.7-174.600000114.3E27E27-G31 WeakPolarHBondContact O-CA 3.39Å; E27-G31 PolarHBondContact O-N 2.87Å
32V84.8Confident83.1Confident66 Ų6671.7 Ų71.740%0.442%0.415SS..  trans-94.4135-179.6-178.40000109.6E27 T30 I37E27-V32 WeakPolarHBondContact CG-O 3.31Å; T30-V32 PolarHBondContact O-N 3.46Å; V32-I37 HydrophobicContact CB-CD1 4.33Å; V32-I37 HydrophobicContact CB-CG1 4.26Å; V32-I37 HydrophobicContact CG1-CG1 4.07Å; V32-I37 VanDerWaalsContact O-CD1 3.27Å; V32-I37 WeakPolarHBondContact O-CD1 3.29Å
33S83Confident83.4Confident45 Ų4571.6 Ų71.632%0.31541%0.414SS..  trans-61.2143.8-179.675.40000112.2T35 Y36 I37S33-T35 PolarHBondContact O-N 2.94Å; S33-T35 VanDerWaalsContact O-N 3.1Å; S33-Y36 PolarHBondContact O-N 3.22Å; S33-Y36 VanDerWaalsContact O-N 3.09Å; S33-Y36 WeakPolarHBondContact OG-CD2 3.49Å; S33-I37 PolarHBondContact O-N 3.43Å
34R78.6Confident83.8Confident48 Ų4875.1 Ų75.118%0.18144%0.437CS..Hα-helixtrans-52.8-34.8-179.1-57.8-179.3-166.5179.16.9114.3L23 A24 E27 I37 A38L23-R34 HydrophobicContact CB-CB 4.49Å; L23-R34 HydrophobicContact CB-CG 4.21Å; A24-R34 VanDerWaalsContact CA-CZ 3.49Å; E27-R34 HydrophobicContact CB-CG 4.02Å; E27-R34 HydrophobicContact CG-CG 4.41Å; E27-R34 WeakPolarHBondContact OE2-CG 3.47Å; E27-R34 IonicContact OE2-CZ 3.24Å; E27-R34 VanDerWaalsContact OE2-CZ 3.24Å; E27-R34 IonicContact OE2-NE 2.66Å; E27-R34 PolarHBondContact OE2-NE 2.83Å; E27-R34 IonicContact OE2-NH2 2.94Å; E27-R34 PolarHBondContact OE2-NH2 3.15Å; R34-I37 PolarHBondContact O-N 3.35Å; R34-A38 WeakPolarHBondContact O-CB 3.38Å; R34-A38 PolarHBondContact O-N 2.71Å
35T79.3Confident84Confident40 Ų4076.3 Ų76.325%0.24544%0.441CS..Hα-helixtrans-63-43.4-179.7-490000111.8F9 L13 S33 A39F9-T35 HydrophobicContact CE1-CG2 4.49Å; L13-T35 HydrophobicContact CD1-CG2 4.45Å; S33-T35 PolarHBondContact O-N 2.94Å; S33-T35 VanDerWaalsContact O-N 3.1Å; T35-A39 WeakPolarHBondContact O-CB 3.46Å; T35-A39 PolarHBondContact O-N 2.89Å
36Y83.5Confident83.9Confident172 Ų17271.4 Ų71.468%0.67543%0.427SS*.Hα-helixtrans-70.5-37.2176.6-68.4-61.9000112.2S33 A39 G40S33-Y36 PolarHBondContact O-N 3.22Å; S33-Y36 VanDerWaalsContact O-N 3.09Å; S33-Y36 WeakPolarHBondContact OG-CD2 3.49Å; Y36-A39 PolarHBondContact O-N 3.49Å; Y36-G40 PolarHBondContact O-N 3.45Å
37I83.8Confident84Confident33 Ų3372.5 Ų72.517%0.16943%0.434CS..Hα-helixtrans-62.1-48.4174.8-64163.4000109.9L23 V26 E27 V32 S33 R34 A39 G40 V41L23-I37 HydrophobicContact CD2-CB 4.31Å; L23-I37 HydrophobicContact CD2-CG2 3.86Å; V26-I37 HydrophobicContact CB-CD1 4.42Å; V26-I37 HydrophobicContact CG1-CD1 3.82Å; V26-I37 HydrophobicContact CG1-CG2 4.36Å; E27-I37 HydrophobicContact CB-CD1 4.46Å; V32-I37 HydrophobicContact CB-CD1 4.33Å; V32-I37 HydrophobicContact CB-CG1 4.26Å; V32-I37 HydrophobicContact CG1-CG1 4.07Å; V32-I37 VanDerWaalsContact O-CD1 3.27Å; V32-I37 WeakPolarHBondContact O-CD1 3.29Å; S33-I37 PolarHBondContact O-N 3.43Å; R34-I37 PolarHBondContact O-N 3.35Å; I37-A39 PolarHBondContact O-N 3.48Å; I37-G40 PolarHBondContact O-N 3.5Å; I37-V41 WeakPolarHBondContact O-CG2 3.42Å; I37-V41 PolarHBondContact O-N 3.28Å
38A81.7Confident83.9Confident11 Ų1174.9 Ų74.99%0.09144%0.441CS..Hα-helixtrans-61.4-43.917800000111.7F9 L13 R34 G40 V41 I42F9-A38 HydrophobicContact CE1-CB 4.22Å; F9-A38 HydrophobicContact CZ-CB 3.93Å; L13-A38 HydrophobicContact CD1-CB 4.32Å; L13-A38 HydrophobicContact CD2-CB 3.87Å; R34-A38 WeakPolarHBondContact O-CB 3.38Å; R34-A38 PolarHBondContact O-N 2.71Å; A38-G40 VanDerWaalsContact C-N 3.33Å; A38-G40 PolarHBondContact O-N 2.84Å; A38-V41 PolarHBondContact O-N 2.91Å; A38-I42 VanDerWaalsContact O-CG1 3.25Å; A38-I42 WeakPolarHBondContact O-CG1 3.46Å; A38-I42 PolarHBondContact O-N 3.1Å
39A83.2Confident83.6Confident51 Ų5170.9 Ų70.942%0.42141%0.408SS..Hα-helixtrans-61.2-40.7175.200000112.2T35 Y36 I37 I42 A43T35-A39 WeakPolarHBondContact O-CB 3.46Å; T35-A39 PolarHBondContact O-N 2.89Å; Y36-A39 PolarHBondContact O-N 3.49Å; I37-A39 PolarHBondContact O-N 3.48Å; A39-I42 PolarHBondContact O-N 3.32Å; A39-A43 WeakPolarHBondContact O-CB 3.33Å; A39-A43 PolarHBondContact O-N 2.92Å
40G86.8Confident83.1Confident34 Ų3463.5 Ų63.535%0.35139%0.385SS..Hα-helixtrans-62.9-45.3175.100000112.5Y36 I37 A38 I42 A43 V44Y36-G40 PolarHBondContact O-N 3.45Å; I37-G40 PolarHBondContact O-N 3.5Å; A38-G40 VanDerWaalsContact C-N 3.33Å; A38-G40 PolarHBondContact O-N 2.84Å; G40-I42 PolarHBondContact O-N 3.11Å; G40-A43 PolarHBondContact O-N 3.2Å; G40-V44 WeakPolarHBondContact O-CG2 3.49Å; G40-V44 PolarHBondContact O-N 3.46Å
41V85.9Confident82.5Confident86 Ų8665.8 Ų65.852%0.52139%0.393SS..Hα-helixtrans-61.1-45.1175.4172.50000110.9I37 A38 A43 V44 V45I37-V41 WeakPolarHBondContact O-CG2 3.42Å; I37-V41 PolarHBondContact O-N 3.28Å; A38-V41 PolarHBondContact O-N 2.91Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 2.9Å; V41-V44 PolarHBondContact O-N 2.91Å; V41-V45 HydrophobicContact CG1-CG2 4.37Å; V41-V45 WeakPolarHBondContact O-CB 3.26Å; V41-V45 VanDerWaalsContact O-CG2 3.29Å; V41-V45 WeakPolarHBondContact O-CG2 3.27Å; V41-V45 PolarHBondContact O-N 3.45Å
42I85.9Confident82.3Confident96 Ų9663.2 Ų63.249%0.49237%0.367SS..Hα-helixtrans-59.9-43.8176.5-69.2164.8000110.6F9 A38 A39 G40 V45 A46F9-I42 HydrophobicContact CE2-CD1 4.3Å; F9-I42 HydrophobicContact CZ-CD1 3.94Å; A38-I42 VanDerWaalsContact O-CG1 3.25Å; A38-I42 WeakPolarHBondContact O-CG1 3.46Å; A38-I42 PolarHBondContact O-N 3.1Å; A39-I42 PolarHBondContact O-N 3.32Å; G40-I42 PolarHBondContact O-N 3.11Å; I42-V45 PolarHBondContact O-N 3.07Å; I42-A46 WeakPolarHBondContact O-CB 3.33Å; I42-A46 PolarHBondContact O-N 3.47Å
43A86Confident81.6Confident52 Ų5271 Ų7143%0.4339%0.39SS..Hα-helixtrans-64.1-43.6178.300000112A39 G40 V41 A46 V47A39-A43 WeakPolarHBondContact O-CB 3.33Å; A39-A43 PolarHBondContact O-N 2.92Å; G40-A43 PolarHBondContact O-N 3.2Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 2.9Å; A43-A46 PolarHBondContact O-N 3.36Å; A43-V47 WeakPolarHBondContact O-CG2 3.49Å; A43-V47 PolarHBondContact O-N 3.1Å
44V87.4Confident81.2Confident103 Ų10370.7 Ų70.762%0.62440%0.395SS*.Hα-helixtrans-62.8-44.4176.4170.20000111.1G40 V41 A46 V47 Y48G40-V44 WeakPolarHBondContact O-CG2 3.49Å; G40-V44 PolarHBondContact O-N 3.46Å; V41-V44 PolarHBondContact O-N 2.91Å; V44-A46 VanDerWaalsContact C-N 3.34Å; V44-A46 PolarHBondContact O-N 2.94Å; V44-V47 PolarHBondContact O-N 3.32Å; V44-Y48 WeakPolarHBondContact O-CB 3.46Å; V44-Y48 PolarHBondContact O-N 3.26Å
45V84.5Confident81.2Confident49 Ų4968.6 Ų68.630%0.29739%0.388SS..Hα-helixtrans-61.7-43.4175.1170.40000110.6V41 I42 V47 Y48 L49 L58V41-V45 HydrophobicContact CG1-CG2 4.37Å; V41-V45 WeakPolarHBondContact O-CB 3.26Å; V41-V45 VanDerWaalsContact O-CG2 3.29Å; V41-V45 WeakPolarHBondContact O-CG2 3.27Å; V41-V45 PolarHBondContact O-N 3.45Å; I42-V45 PolarHBondContact O-N 3.07Å; V45-V47 PolarHBondContact O-N 3.16Å; V45-Y48 PolarHBondContact O-N 3.44Å; V45-L49 HydrophobicContact CG1-CD1 4.06Å; V45-L49 HydrophobicContact CG1-CG 4.32Å; V45-L49 VanDerWaalsContact O-CG 3.29Å; V45-L49 WeakPolarHBondContact O-CG 3.49Å; V45-L49 PolarHBondContact O-N 3.46Å; V45-L58 HydrophobicContact CG1-CD2 4.3Å
46A81.9Confident81.1Confident38 Ų3867.9 Ų67.931%0.31439%0.385SS..Hα-helixtrans-62-42.8178.200000111.9I42 A43 V44 L49 V50I42-A46 WeakPolarHBondContact O-CB 3.33Å; I42-A46 PolarHBondContact O-N 3.47Å; A43-A46 PolarHBondContact O-N 3.36Å; V44-A46 VanDerWaalsContact C-N 3.34Å; V44-A46 PolarHBondContact O-N 2.94Å; A46-L49 PolarHBondContact O-N 2.86Å; A46-V50 WeakPolarHBondContact O-CG2 3.44Å; A46-V50 PolarHBondContact O-N 3.33Å
47V83.3Confident80.9Confident88 Ų8865.1 Ų65.153%0.53338%0.381SS..Hα-helixtrans-64.7-42.7174.9172.10000111A43 V44 V45 L49 V50 I51A43-V47 WeakPolarHBondContact O-CG2 3.49Å; A43-V47 PolarHBondContact O-N 3.1Å; V44-V47 PolarHBondContact O-N 3.32Å; V45-V47 PolarHBondContact O-N 3.16Å; V47-L49 VanDerWaalsContact C-N 3.31Å; V47-L49 PolarHBondContact O-N 2.65Å; V47-V50 PolarHBondContact O-N 2.74Å; V47-V50 VanDerWaalsContact O-N 3.11Å; V47-I51 HydrophobicContact CG1-CD1 4.07Å; V47-I51 PolarHBondContact O-N 2.89Å
48Y83Confident80.8Confident107 Ų10766 Ų6642%0.4239%0.385SS..Hα-helixtrans-63.6-35.7176.7-178.7-98.5000112.2V44 V45 V50 I51 G52 Y53 L58V44-Y48 WeakPolarHBondContact O-CB 3.46Å; V44-Y48 PolarHBondContact O-N 3.26Å; V45-Y48 PolarHBondContact O-N 3.44Å; Y48-V50 PolarHBondContact O-N 2.76Å; Y48-I51 PolarHBondContact O-N 3.3Å; Y48-G52 VanDerWaalsContact O-CA 3.24Å; Y48-G52 WeakPolarHBondContact O-CA 3.25Å; Y48-G52 PolarHBondContact O-N 3.42Å; Y48-Y53 PolarHBondContact OH-O 2.86Å; Y48-L58 HydrophobicContact CD1-CD2 3.59Å; Y48-L58 HydrophobicContact CE1-CD2 3.82Å
49L79.1Confident80.7Confident5 Ų565.4 Ų65.43%0.02638%0.381CS..Hα-helixtrans-66.9-17.7175.5-72.1173.6000113.6V45 A46 V47 A55 L58 C118V45-L49 HydrophobicContact CG1-CD1 4.06Å; V45-L49 HydrophobicContact CG1-CG 4.32Å; V45-L49 VanDerWaalsContact O-CG 3.29Å; V45-L49 WeakPolarHBondContact O-CG 3.49Å; V45-L49 PolarHBondContact O-N 3.46Å; A46-L49 PolarHBondContact O-N 2.86Å; V47-L49 VanDerWaalsContact C-N 3.31Å; V47-L49 PolarHBondContact O-N 2.65Å; L49-A55 HydrophobicContact CD2-CB 3.94Å; L49-A55 WeakPolarHBondContact CD2-O 3.09Å; L49-A55 WeakPolarHBondContact O-CB 3.34Å; L49-L58 HydrophobicContact CD2-CB 4.33Å; L49-L58 HydrophobicContact CD2-CD2 3.98Å; L49-L58 HydrophobicContact CD2-CG 4.38Å; L49-L58 HydrophobicContact CG-CD2 4.46Å; L49-C118 HydrophobicContact CD1-CB 3.99Å
50V76.8Confident80.6Confident54 Ų5465 Ų6533%0.32737%0.372SS..Hα-helixtrans-89.9-36177.5176.10000112.2A46 V47 Y48 P111 I115A46-V50 WeakPolarHBondContact O-CG2 3.44Å; A46-V50 PolarHBondContact O-N 3.33Å; V47-V50 PolarHBondContact O-N 2.74Å; V47-V50 VanDerWaalsContact O-N 3.11Å; Y48-V50 PolarHBondContact O-N 2.76Å; V50-P111 HydrophobicContact CG1-CB 4.3Å; V50-I115 HydrophobicContact CG2-CD1 3.24Å; V50-I115 HydrophobicContact CG2-CG1 3.93Å
51I73Confident80.4Confident130 Ų13067 Ų6767%0.66737%0.374SS*.Hα-helixtrans-118.3-19.9-166.2-46.5175.4000112.2V47 Y48V47-I51 HydrophobicContact CG1-CD1 4.07Å; V47-I51 PolarHBondContact O-N 2.89Å; Y48-I51 PolarHBondContact O-N 3.3Å
52G76.2Confident80.1Confident20 Ų2065.5 Ų65.521%0.20636%0.363CS..  trans-82.2133.1-170.500000113.9Y48 G54 A55Y48-G52 VanDerWaalsContact O-CA 3.24Å; Y48-G52 WeakPolarHBondContact O-CA 3.25Å; Y48-G52 PolarHBondContact O-N 3.42Å; G52-G54 PolarHBondContact O-N 3.47Å; G52-A55 PolarHBondContact O-N 2.9Å
53Y70Confident79.8Confident228 Ų22861 Ų6189%0.89434%0.339SS*.THydrogen-bonded Turntrans-60.9120.7163.7-66.9-83.1000109.5Y48Y48-Y53 PolarHBondContact OH-O 2.86Å
54G75Confident79.8Confident40 Ų4063.1 Ų63.141%0.41234%0.339SS..THydrogen-bonded Turntrans100.613-179.200000115.8G52 S56 L57 L58G52-G54 PolarHBondContact O-N 3.47Å; G54-S56 PolarHBondContact O-N 3.22Å; G54-L57 WeakPolarHBondContact O-CB 3.01Å; G54-L57 PolarHBondContact O-N 3.39Å; G54-L58 PolarHBondContact O-N 2.89Å
55A79.4Confident79.6Confident4 Ų463.1 Ų63.13%0.03334%0.335CS..Hα-helixtrans-52.7-38.6175.400000113.4L49 G52 L58 C59 Y114L49-A55 HydrophobicContact CD2-CB 3.94Å; L49-A55 WeakPolarHBondContact CD2-O 3.09Å; L49-A55 WeakPolarHBondContact O-CB 3.34Å; G52-A55 PolarHBondContact O-N 2.9Å; A55-L58 PolarHBondContact O-N 3.48Å; A55-C59 VanDerWaalsContact O-CB 3.26Å; A55-C59 WeakPolarHBondContact O-CB 3.29Å; A55-C59 PolarHBondContact O-N 3.17Å; A55-Y114 HydrophobicContact CB-CD1 4.4Å; A55-Y114 HydrophobicContact CB-CD2 3.88Å; A55-Y114 HydrophobicContact CB-CE2 4.43Å; A55-Y114 HydrophobicContact CB-CG 3.86Å
56S76.2Confident79.3Confident25 Ų2565.3 Ų65.318%0.17534%0.339CS..Hα-helixtrans-62.1-44.8176-171.80000112.4G54 C59 N60 E100 K117G54-S56 PolarHBondContact O-N 3.22Å; S56-C59 PolarHBondContact O-N 3.32Å; S56-N60 WeakPolarHBondContact O-CB 3.44Å; S56-N60 VanDerWaalsContact O-CG 3.26Å; S56-N60 PolarHBondContact O-N 3.46Å; S56-N60 PolarHBondContact O-ND2 3.42Å; S56-E100 PolarHBondContact OG-OE1 3.46Å; S56-K117 PolarHBondContact OG-NZ 2.74Å; S56-K117 VanDerWaalsContact OG-NZ 3.17Å
57L80.4Confident79.3Confident114 Ų11463.5 Ų63.560%0.59732%0.324SS*.Hα-helixtrans-62.4-47.2177.2178.965.2000110.9G54 C59 N60 L61G54-L57 WeakPolarHBondContact O-CB 3.01Å; G54-L57 PolarHBondContact O-N 3.39Å; L57-C59 VanDerWaalsContact C-N 3.32Å; L57-C59 PolarHBondContact O-N 3.26Å; L57-N60 PolarHBondContact O-N 2.97Å; L57-L61 HydrophobicContact CD1-CD1 4.38Å; L57-L61 HydrophobicContact CD1-CG 4.33Å; L57-L61 HydrophobicContact CG-CD1 4.08Å; L57-L61 HydrophobicContact CG-CG 4.45Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.5Å; L57-L61 PolarHBondContact O-N 3.49Å
58L80.6Confident79.3Confident50 Ų5060.2 Ų60.226%0.26231%0.306SS..Hα-helixtrans-60.3-44178-177.964000111.4V45 Y48 L49 G54 A55 N60 L61 I62V45-L58 HydrophobicContact CG1-CD2 4.3Å; Y48-L58 HydrophobicContact CD1-CD2 3.59Å; Y48-L58 HydrophobicContact CE1-CD2 3.82Å; L49-L58 HydrophobicContact CD2-CB 4.33Å; L49-L58 HydrophobicContact CD2-CD2 3.98Å; L49-L58 HydrophobicContact CD2-CG 4.38Å; L49-L58 HydrophobicContact CG-CD2 4.46Å; G54-L58 PolarHBondContact O-N 2.89Å; A55-L58 PolarHBondContact O-N 3.48Å; L58-N60 PolarHBondContact O-N 2.99Å; L58-L61 PolarHBondContact O-N 3.19Å; L58-I62 HydrophobicContact CD1-CD1 4.3Å; L58-I62 HydrophobicContact CG-CD1 4.01Å; L58-I62 VanDerWaalsContact O-CG1 3.28Å; L58-I62 WeakPolarHBondContact O-CG1 3.47Å; L58-I62 PolarHBondContact O-N 3.3Å
59C79.6Confident79.2Confident0 Ų061 Ų610%031%0.309CS..Hα-helixtrans-62-43178.1-169.70000111.9A55 S56 L57 I62 G63 K117 C118A55-C59 VanDerWaalsContact O-CB 3.26Å; A55-C59 WeakPolarHBondContact O-CB 3.29Å; A55-C59 PolarHBondContact O-N 3.17Å; S56-C59 PolarHBondContact O-N 3.32Å; L57-C59 VanDerWaalsContact C-N 3.32Å; L57-C59 PolarHBondContact O-N 3.26Å; C59-I62 PolarHBondContact O-N 3.04Å; C59-G63 PolarHBondContact O-N 3.18Å; C59-K117 HydrophobicContact CB-CD 4.24Å; C59-C118 WeakPolarHBondContact SG-CA 3.5Å
60N81.8Confident79.1Confident43 Ų4363 Ų6323%0.2332%0.319CS..Hα-helixtrans-66.1-40.8176-72-13.7000111.8S56 L57 L58 I62 G63 F64 K117S56-N60 WeakPolarHBondContact O-CB 3.44Å; S56-N60 VanDerWaalsContact O-CG 3.26Å; S56-N60 PolarHBondContact O-N 3.46Å; S56-N60 PolarHBondContact O-ND2 3.42Å; L57-N60 PolarHBondContact O-N 2.97Å; L58-N60 PolarHBondContact O-N 2.99Å; N60-I62 VanDerWaalsContact C-N 3.34Å; N60-I62 PolarHBondContact O-N 3.49Å; N60-G63 CarbonylContact O-C 3.45Å; N60-G63 PolarHBondContact O-N 3.26Å; N60-F64 WeakPolarHBondContact O-CB 3.31Å; N60-F64 PolarHBondContact O-N 3.3Å; N60-K117 WeakPolarHBondContact OD1-CE 3.41Å; N60-K117 PolarHBondContact OD1-NZ 2.82Å
61L82.3Confident79.3Confident74 Ų7461 Ų6139%0.38731%0.307SS..Hα-helixtrans-62-42.2175.1-72.6172.7000111.5L57 L58 F64 L65L57-L61 HydrophobicContact CD1-CD1 4.38Å; L57-L61 HydrophobicContact CD1-CG 4.33Å; L57-L61 HydrophobicContact CG-CD1 4.08Å; L57-L61 HydrophobicContact CG-CG 4.45Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 VanDerWaalsContact O-CG 3.27Å; L57-L61 WeakPolarHBondContact O-CG 3.5Å; L57-L61 PolarHBondContact O-N 3.49Å; L58-L61 PolarHBondContact O-N 3.19Å; L61-F64 PolarHBondContact O-N 3.05Å; L61-L65 HydrophobicContact CB-CD1 4.11Å; L61-L65 HydrophobicContact CD2-CD1 4.15Å; L61-L65 HydrophobicContact CD2-CG 4.4Å; L61-L65 WeakPolarHBondContact O-CB 3.16Å; L61-L65 VanDerWaalsContact O-CG 3.3Å; L61-L65 WeakPolarHBondContact O-CG 3.29Å; L61-L65 PolarHBondContact O-N 3.01Å
62I80.3Confident79.7Confident56 Ų5659.8 Ų59.829%0.28730%0.301SS..Hα-helixtrans-64.3-46.3175.5-67.5165.6000110.5L58 C59 N60 F64 M125L58-I62 HydrophobicContact CD1-CD1 4.3Å; L58-I62 HydrophobicContact CG-CD1 4.01Å; L58-I62 VanDerWaalsContact O-CG1 3.28Å; L58-I62 WeakPolarHBondContact O-CG1 3.47Å; L58-I62 PolarHBondContact O-N 3.3Å; C59-I62 PolarHBondContact O-N 3.04Å; N60-I62 VanDerWaalsContact C-N 3.34Å; N60-I62 PolarHBondContact O-N 3.49Å; I62-F64 PolarHBondContact O-N 3.3Å; I62-M125 HydrophobicContact CG2-CE 4.47Å
63G79.8Confident79.7Confident0 Ų063.9 Ų63.90%031%0.313CS..Hα-helixtrans-65.7-20.7177.300000114.3C59 N60 P67 Y89C59-G63 PolarHBondContact O-N 3.18Å; N60-G63 CarbonylContact O-C 3.45Å; N60-G63 PolarHBondContact O-N 3.26Å; G63-P67 WeakPolarHBondContact O-CG 3.38Å; G63-Y89 PolarHBondContact O-OH 3.47Å
64F85.2Confident79.9Confident98 Ų9853.3 Ų53.343%0.4327%0.273SS..Hα-helixtrans-102.9-53.5-176.5-177.2-95.3000112.7N60 L61 I62 Y66 A68 W90N60-F64 WeakPolarHBondContact O-CB 3.31Å; N60-F64 PolarHBondContact O-N 3.3Å; L61-F64 PolarHBondContact O-N 3.05Å; I62-F64 PolarHBondContact O-N 3.3Å; F64-Y66 PolarHBondContact O-N 3.12Å; F64-A68 HydrophobicContact CD1-CB 4.49Å; F64-A68 HydrophobicContact CE1-CB 4.26Å; F64-A68 HydrophobicContact CZ-CB 4.48Å; F64-A68 WeakPolarHBondContact O-CB 3.42Å; F64-A68 PolarHBondContact O-N 2.89Å; F64-W90 AromaticContact CD2-CH2 3.68Å; F64-W90 HydrophobicContact CD2-CH2 3.68Å; F64-W90 AromaticContact CD2-CZ3 3.67Å; F64-W90 HydrophobicContact CD2-CZ3 3.67Å; F64-W90 AromaticContact CE2-CH2 3.83Å; F64-W90 HydrophobicContact CE2-CH2 3.83Å; F64-W90 AromaticContact CE2-CZ3 3.91Å; F64-W90 HydrophobicContact CE2-CZ3 3.91Å; F64-W90 HydrophobicContact CG-CH2 4.4Å
65L82.3Confident80Confident103 Ų10357 Ų5754%0.53928%0.282SS..Hα-helixtrans-64.8-45.4-167.1-73172.8000113L61 A68 Y69L61-L65 HydrophobicContact CB-CD1 4.11Å; L61-L65 HydrophobicContact CD2-CD1 4.15Å; L61-L65 HydrophobicContact CD2-CG 4.4Å; L61-L65 WeakPolarHBondContact O-CB 3.16Å; L61-L65 VanDerWaalsContact O-CG 3.3Å; L61-L65 WeakPolarHBondContact O-CG 3.29Å; L61-L65 PolarHBondContact O-N 3.01Å; L65-A68 PolarHBondContact O-N 3.34Å; L65-Y69 WeakPolarHBondContact O-CB 3.21Å; L65-Y69 PolarHBondContact O-N 3.48Å
66Y80Confident79.9Confident95 Ų9564.5 Ų64.537%0.37332%0.316SS..Hα-helixtrans-67.6-52.4-178173.1-98.2000111.7F64 A68 Y69 I70 M125F64-Y66 PolarHBondContact O-N 3.12Å; Y66-A68 VanDerWaalsContact C-N 3.3Å; Y66-A68 PolarHBondContact O-N 2.85Å; Y66-Y69 PolarHBondContact O-N 2.97Å; Y66-I70 HydrophobicContact CD2-CG1 4.37Å; Y66-I70 HydrophobicContact CE1-CG1 4.29Å; Y66-I70 HydrophobicContact CE2-CD1 4.15Å; Y66-I70 HydrophobicContact CE2-CG1 3.94Å; Y66-I70 WeakPolarHBondContact O-CG1 3.43Å; Y66-I70 PolarHBondContact O-N 2.99Å; Y66-I70 VanDerWaalsContact O-N 3.08Å; Y66-M125 HydrophobicContact CD1-SD 3.8Å; Y66-M125 HydrophobicContact CE1-SD 4.41Å
67P81.1Confident79.6Confident0 Ų065.4 Ų65.40%032%0.323CS..Hα-helixtrans-58.1-38173.3-29.940.2000113.8G63 I70 S71 W86 Y89 W90 M125G63-P67 WeakPolarHBondContact O-CG 3.38Å; P67-I70 PolarHBondContact O-N 2.8Å; P67-S71 WeakPolarHBondContact O-CB 3.41Å; P67-S71 PolarHBondContact O-N 3.12Å; P67-S71 PolarHBondContact O-OG 3.19Å; P67-W86 HydrophobicContact CB-CE3 4.02Å; P67-W86 HydrophobicContact CB-CZ3 3.64Å; P67-W86 HydrophobicContact CG-CZ3 4.19Å; P67-Y89 HydrophobicContact CB-CD1 3.91Å; P67-Y89 HydrophobicContact CB-CE1 3.45Å; P67-Y89 VanDerWaalsContact CB-CE1 3.45Å; P67-Y89 HydrophobicContact CG-CD1 4.35Å; P67-Y89 HydrophobicContact CG-CE1 3.56Å; P67-Y89 HydrophobicContact CG-CE2 4.48Å; P67-W90 HydrophobicContact CB-CH2 4.3Å; P67-W90 HydrophobicContact CB-CZ2 4Å; P67-M125 HydrophobicContact CG-CB 4.17Å; P67-M125 HydrophobicContact CG-CE 4.36Å
68A82.3Confident78.6Confident19 Ų1965.1 Ų65.116%0.15734%0.337CS..Hα-helixtrans-63.9-45.3177.400000111.9F64 L65 Y66 I70 S71 I72 W90F64-A68 HydrophobicContact CD1-CB 4.49Å; F64-A68 HydrophobicContact CE1-CB 4.26Å; F64-A68 HydrophobicContact CZ-CB 4.48Å; F64-A68 WeakPolarHBondContact O-CB 3.42Å; F64-A68 PolarHBondContact O-N 2.89Å; L65-A68 PolarHBondContact O-N 3.34Å; Y66-A68 VanDerWaalsContact C-N 3.3Å; Y66-A68 PolarHBondContact O-N 2.85Å; A68-I70 PolarHBondContact O-N 3.42Å; A68-S71 PolarHBondContact O-N 2.95Å; A68-I72 WeakPolarHBondContact O-CG1 3.44Å; A68-I72 PolarHBondContact O-N 3.32Å; A68-W90 HydrophobicContact CB-CH2 4.18Å; A68-W90 HydrophobicContact CB-CZ2 4.1Å
69Y80.9Confident77.7Confident124 Ų12466.5 Ų66.549%0.48635%0.348SS..Hα-helixtrans-61.3-46.4176.9175.3-103.8000112.1L65 Y66 S71 I72 K73L65-Y69 WeakPolarHBondContact O-CB 3.21Å; L65-Y69 PolarHBondContact O-N 3.48Å; Y66-Y69 PolarHBondContact O-N 2.97Å; Y69-S71 VanDerWaalsContact C-N 3.33Å; Y69-I72 PolarHBondContact O-N 3.02Å; Y69-K73 HydrophobicContact CD1-CD 4.46Å; Y69-K73 HydrophobicContact CE1-CD 3.76Å; Y69-K73 PolarHBondContact O-N 3.22Å; Y69-K73 VanDerWaalsContact O-N 3.12Å; Y69-K73 WeakPolarHBondContact OH-CE 3.44Å; Y69-K73 PolarHBondContact OH-NZ 3.02Å
70I78.5Confident76.9Confident45 Ų4574.8 Ų74.823%0.23138%0.384CS..Hα-helixtrans-68.7-34.6178.1-55.4-66.1000111.2Y66 P67 A68 K73 A74 W86Y66-I70 HydrophobicContact CD2-CG1 4.37Å; Y66-I70 HydrophobicContact CE1-CG1 4.29Å; Y66-I70 HydrophobicContact CE2-CD1 4.15Å; Y66-I70 HydrophobicContact CE2-CG1 3.94Å; Y66-I70 WeakPolarHBondContact O-CG1 3.43Å; Y66-I70 PolarHBondContact O-N 2.99Å; Y66-I70 VanDerWaalsContact O-N 3.08Å; P67-I70 PolarHBondContact O-N 2.8Å; A68-I70 PolarHBondContact O-N 3.42Å; I70-K73 WeakPolarHBondContact O-CB 3.37Å; I70-K73 PolarHBondContact O-N 3.48Å; I70-A74 WeakPolarHBondContact O-CB 3.25Å; I70-A74 PolarHBondContact O-N 3.45Å; I70-W86 HydrophobicContact CB-CH2 4.03Å; I70-W86 HydrophobicContact CB-CZ2 3.66Å; I70-W86 HydrophobicContact CG1-CZ2 4.46Å; I70-W86 HydrophobicContact CG2-CH2 4.07Å; I70-W86 HydrophobicContact CG2-CZ2 3.22Å
71S81.2Confident75.9Confident12 Ų1280 Ų808%0.08441%0.406CS..Hα-helixtrans-62.1-43.3174.6-61.80000111.3P67 A68 Y69 K73 A74 I75 W90P67-S71 WeakPolarHBondContact O-CB 3.41Å; P67-S71 PolarHBondContact O-N 3.12Å; P67-S71 PolarHBondContact O-OG 3.19Å; A68-S71 PolarHBondContact O-N 2.95Å; Y69-S71 VanDerWaalsContact C-N 3.33Å; S71-K73 VanDerWaalsContact C-N 3.34Å; S71-K73 PolarHBondContact O-N 3.32Å; S71-A74 WeakPolarHBondContact O-CB 3.12Å; S71-A74 PolarHBondContact O-N 2.92Å; S71-A74 VanDerWaalsContact O-N 3.16Å; S71-I75 WeakPolarHBondContact O-CD1 3.5Å; S71-I75 VanDerWaalsContact O-CG1 3.23Å; S71-I75 WeakPolarHBondContact O-CG1 3.26Å; S71-I75 PolarHBondContact O-N 3.46Å; S71-W90 PolarHBondContact OG-NE1 2.97Å; S71-W90 VanDerWaalsContact OG-NE1 3.15Å
72I81.6Confident75.1Confident105 Ų10579.2 Ų79.254%0.53840%0.403SS..Hα-helixtrans-60.9-45.3175-68.6164.6000110.3A68 Y69 A74 I75 E76A68-I72 WeakPolarHBondContact O-CG1 3.44Å; A68-I72 PolarHBondContact O-N 3.32Å; Y69-I72 PolarHBondContact O-N 3.02Å; I72-A74 VanDerWaalsContact C-N 3.29Å; I72-A74 PolarHBondContact O-N 3.32Å; I72-I75 PolarHBondContact O-N 3.19Å; I72-E76 WeakPolarHBondContact O-CG 3.06Å; I72-E76 PolarHBondContact O-N 3.32Å; I72-E76 VanDerWaalsContact O-N 3.11Å
73K75.1Confident74.6Confident106 Ų10679.6 Ų79.646%0.46141%0.406SS..Hα-helixtrans-60.9-37.1174.6-82.2-175.3156.3178.50113.1Y69 I70 S71 S77Y69-K73 HydrophobicContact CD1-CD 4.46Å; Y69-K73 HydrophobicContact CE1-CD 3.76Å; Y69-K73 PolarHBondContact O-N 3.22Å; Y69-K73 VanDerWaalsContact O-N 3.12Å; Y69-K73 WeakPolarHBondContact OH-CE 3.44Å; Y69-K73 PolarHBondContact OH-NZ 3.02Å; I70-K73 WeakPolarHBondContact O-CB 3.37Å; I70-K73 PolarHBondContact O-N 3.48Å; S71-K73 VanDerWaalsContact C-N 3.34Å; S71-K73 PolarHBondContact O-N 3.32Å; K73-S77 PolarHBondContact O-N 2.71Å
74A75Confident74.4Confident6 Ų684 Ų845%0.0543%0.433CS..Hα-helixtrans-68.3-43177.800000111.5I70 S71 I72 E76 S77 D82I70-A74 WeakPolarHBondContact O-CB 3.25Å; I70-A74 PolarHBondContact O-N 3.45Å; S71-A74 WeakPolarHBondContact O-CB 3.12Å; S71-A74 PolarHBondContact O-N 2.92Å; S71-A74 VanDerWaalsContact O-N 3.16Å; I72-A74 VanDerWaalsContact C-N 3.29Å; I72-A74 PolarHBondContact O-N 3.32Å; A74-E76 VanDerWaalsContact C-N 3.29Å; A74-E76 PolarHBondContact O-N 3.28Å; A74-S77 WeakPolarHBondContact O-CA 3.15Å; A74-S77 WeakPolarHBondContact O-CB 3.49Å; A74-S77 PolarHBondContact O-N 3.43Å; A74-S77 PolarHBondContact O-OG 3.22Å; A74-D82 HydrophobicContact CB-CB 3.97Å
75I77.3Confident74Confident118 Ų11884.3 Ų84.361%0.60543%0.434SS*.Hα-helixtrans-60.8-38.5177-69.6162.6000111.6S71 I72 S77S71-I75 WeakPolarHBondContact O-CD1 3.5Å; S71-I75 VanDerWaalsContact O-CG1 3.23Å; S71-I75 WeakPolarHBondContact O-CG1 3.26Å; S71-I75 PolarHBondContact O-N 3.46Å; I72-I75 PolarHBondContact O-N 3.19Å; I75-S77 PolarHBondContact O-N 3.38Å
76E75.7Confident73.9Confident161 Ų16181.2 Ų81.275%0.75242%0.415SS*.THydrogen-bonded Turntrans-77.3-9.1176.2-65.4-66.5154.600112.9I72 A74I72-E76 WeakPolarHBondContact O-CG 3.06Å; I72-E76 PolarHBondContact O-N 3.32Å; I72-E76 VanDerWaalsContact O-N 3.11Å; A74-E76 VanDerWaalsContact C-N 3.29Å; A74-E76 PolarHBondContact O-N 3.28Å
77S69.8Low74Confident44 Ų4482.2 Ų82.231%0.30843%0.426SS..SBendtrans-92.8150.6177.884.30000111.6K73 A74 I75 T79K73-S77 PolarHBondContact O-N 2.71Å; A74-S77 WeakPolarHBondContact O-CA 3.15Å; A74-S77 WeakPolarHBondContact O-CB 3.49Å; A74-S77 PolarHBondContact O-N 3.43Å; A74-S77 PolarHBondContact O-OG 3.22Å; I75-S77 PolarHBondContact O-N 3.38Å; S77-T79 PolarHBondContact O-N 3.19Å; S77-T79 PolarHBondContact OG-OG1 3.38Å
78A60.4Low74.1Confident109 Ų10983.1 Ų83.190%0.90143%0.432SS*.SBendtrans-75.5-4.4-176.600000114.7
79T62Low74.3Confident79 Ų7982.4 Ų82.449%0.48543%0.425SS..  trans-99.1111.3-169.242.10000113S77 E81S77-T79 PolarHBondContact O-N 3.19Å; S77-T79 PolarHBondContact OG-OG1 3.38Å; T79-E81 VanDerWaalsContact C-N 3.28Å; T79-E81 PolarHBondContact O-N 2.94Å
80K63.1Low74.6Confident173 Ų17379.7 Ų79.775%0.75241%0.414SS*.Hα-helixtrans-68.8-13.9-176.8-64.8-164.2175.5-170.60116.4D82K80-D82 VanDerWaalsContact C-N 3.31Å; K80-D82 PolarHBondContact O-N 2.66Å
81E61.1Low75Confident152 Ų15280.4 Ų80.471%0.7142%0.42SS*.Hα-helixtrans-73.3-24.9-176-69.8-176.6-179.400113T79T79-E81 VanDerWaalsContact C-N 3.28Å; T79-E81 PolarHBondContact O-N 2.94Å
82D63.7Low75.3Confident59 Ų5980 Ų8032%0.31642%0.417SS..Hα-helixtrans-78-34.2177.9-71.2-24.1000111.4A74 K80 T84 K85 W86A74-D82 HydrophobicContact CB-CB 3.97Å; K80-D82 VanDerWaalsContact C-N 3.31Å; K80-D82 PolarHBondContact O-N 2.66Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 3.27Å; D82-K85 PolarHBondContact O-N 2.94Å; D82-K85 IonicContact OD1-NZ 3.71Å; D82-W86 PolarHBondContact O-N 2.75Å; D82-W86 VanDerWaalsContact O-N 3.1Å
83D71.5Confident75.5Confident64 Ų6476.3 Ų76.334%0.34240%0.397SS..Hα-helixtrans-57.8-43.8178.2-60-27000112.3K85 W86 L87D83-K85 VanDerWaalsContact C-N 3.33Å; D83-K85 PolarHBondContact O-N 2.64Å; D83-W86 PolarHBondContact O-N 3.17Å; D83-L87 VanDerWaalsContact O-CB 3.28Å; D83-L87 WeakPolarHBondContact O-CB 3.14Å; D83-L87 PolarHBondContact O-N 3.28Å
84T74.6Confident76Confident93 Ų9372.9 Ų72.957%0.57139%0.391SS*.Hα-helixtrans-66.8-36-177.7-57.90000111.7D82 T88D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 3.27Å; T84-T88 WeakPolarHBondContact O-CB 3.36Å; T84-T88 PolarHBondContact O-N 3.48Å; T84-T88 PolarHBondContact O-OG1 3.45Å
85K76.6Confident76.6Confident103 Ų10377.3 Ų77.345%0.44841%0.414SS..Hα-helixtrans-69.1-46.6178.3-67.7171.4-169.8154.70111D82 D83 T88 Y89D82-K85 PolarHBondContact O-N 2.94Å; D82-K85 IonicContact OD1-NZ 3.71Å; D83-K85 VanDerWaalsContact C-N 3.33Å; D83-K85 PolarHBondContact O-N 2.64Å; K85-T88 WeakPolarHBondContact O-CB 3.38Å; K85-T88 PolarHBondContact O-N 3.36Å; K85-Y89 PolarHBondContact O-N 2.94Å
86W80.9Confident77Confident39 Ų3973.7 Ų73.715%0.14839%0.394CS..Hα-helixtrans-66.7-39.6178-67.8115.3000111.7P67 I70 D82 D83 T88 Y89 W90P67-W86 HydrophobicContact CB-CE3 4.02Å; P67-W86 HydrophobicContact CB-CZ3 3.64Å; P67-W86 HydrophobicContact CG-CZ3 4.19Å; I70-W86 HydrophobicContact CB-CH2 4.03Å; I70-W86 HydrophobicContact CB-CZ2 3.66Å; I70-W86 HydrophobicContact CG1-CZ2 4.46Å; I70-W86 HydrophobicContact CG2-CH2 4.07Å; I70-W86 HydrophobicContact CG2-CZ2 3.22Å; D82-W86 PolarHBondContact O-N 2.75Å; D82-W86 VanDerWaalsContact O-N 3.1Å; D83-W86 PolarHBondContact O-N 3.17Å; W86-T88 VanDerWaalsContact C-N 3.32Å; W86-T88 PolarHBondContact O-N 3.35Å; W86-Y89 HydrophobicContact CE3-CD1 4.45Å; W86-Y89 WeakPolarHBondContact O-CB 3.37Å; W86-Y89 PolarHBondContact O-N 3.3Å; W86-W90 PolarHBondContact O-N 3.49Å
87L81.8Confident77.5Confident116 Ų11667.8 Ų67.861%0.60737%0.37SS*.Hα-helixtrans-61.6-41.8174.7-17166.4000111.7D83 Y89 W90 V91D83-L87 VanDerWaalsContact O-CB 3.28Å; D83-L87 WeakPolarHBondContact O-CB 3.14Å; D83-L87 PolarHBondContact O-N 3.28Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 2.96Å; L87-W90 PolarHBondContact O-N 2.93Å; L87-V91 WeakPolarHBondContact O-CG2 3.33Å; L87-V91 PolarHBondContact O-N 3.28Å
88T84.1Confident78.3Confident18 Ų1870.1 Ų70.111%0.1138%0.382CS..Hα-helixtrans-60.6-43.8174.5-58.60000111.4T84 K85 W86 V91 V92 I134 Y137T84-T88 WeakPolarHBondContact O-CB 3.36Å; T84-T88 PolarHBondContact O-N 3.48Å; T84-T88 PolarHBondContact O-OG1 3.45Å; K85-T88 WeakPolarHBondContact O-CB 3.38Å; K85-T88 PolarHBondContact O-N 3.36Å; W86-T88 VanDerWaalsContact C-N 3.32Å; W86-T88 PolarHBondContact O-N 3.35Å; T88-V91 PolarHBondContact O-N 3.42Å; T88-V92 WeakPolarHBondContact O-CG2 3.26Å; T88-V92 PolarHBondContact O-N 2.94Å; T88-V92 VanDerWaalsContact O-N 3.14Å; T88-I134 HydrophobicContact CG2-CG1 4.44Å; T88-Y137 VanDerWaalsContact CG2-CB 3.46Å; T88-Y137 HydrophobicContact CG2-CD1 4.23Å; T88-Y137 HydrophobicContact CG2-CD2 4.12Å; T88-Y137 HydrophobicContact CG2-CG 3.68Å
89Y85.1Confident79.5Confident4 Ų467.6 Ų67.62%0.01636%0.361CS..Hα-helixtrans-56.9-49173172.6-95000111.6G63 P67 K85 W86 L87 V91 V92 Y93 C124 M125G63-Y89 PolarHBondContact O-OH 3.47Å; P67-Y89 HydrophobicContact CB-CD1 3.91Å; P67-Y89 HydrophobicContact CB-CE1 3.45Å; P67-Y89 VanDerWaalsContact CB-CE1 3.45Å; P67-Y89 HydrophobicContact CG-CD1 4.35Å; P67-Y89 HydrophobicContact CG-CE1 3.56Å; P67-Y89 HydrophobicContact CG-CE2 4.48Å; K85-Y89 PolarHBondContact O-N 2.94Å; W86-Y89 HydrophobicContact CE3-CD1 4.45Å; W86-Y89 WeakPolarHBondContact O-CB 3.37Å; W86-Y89 PolarHBondContact O-N 3.3Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 2.96Å; Y89-V91 PolarHBondContact O-N 3.45Å; Y89-V92 PolarHBondContact O-N 3.2Å; Y89-Y93 HydrophobicContact CE1-CD2 4.33Å; Y89-Y93 HydrophobicContact CE1-CG 4.34Å; Y89-Y93 VanDerWaalsContact O-CB 3.27Å; Y89-Y93 WeakPolarHBondContact O-CB 3.44Å; Y89-Y93 PolarHBondContact O-N 2.79Å; Y89-Y93 WeakPolarHBondContact OH-CD2 3.35Å; Y89-C124 HydrophobicContact CD2-CB 4.12Å; Y89-C124 WeakPolarHBondContact CD2-O 3.3Å; Y89-C124 HydrophobicContact CE2-CB 3.88Å; Y89-M125 HydrophobicContact CD2-CB 4.43Å; Y89-M125 HydrophobicContact CE2-CB 3.91Å
90W88.1Confident80.5Confident68 Ų6864.4 Ų64.426%0.25834%0.341SS..Hα-helixtrans-63.5-37.8-178.6-72119.1000113.2F64 P67 A68 S71 W86 L87 Y93 G94F64-W90 AromaticContact CD2-CH2 3.68Å; F64-W90 HydrophobicContact CD2-CH2 3.68Å; F64-W90 AromaticContact CD2-CZ3 3.67Å; F64-W90 HydrophobicContact CD2-CZ3 3.67Å; F64-W90 AromaticContact CE2-CH2 3.83Å; F64-W90 HydrophobicContact CE2-CH2 3.83Å; F64-W90 AromaticContact CE2-CZ3 3.91Å; F64-W90 HydrophobicContact CE2-CZ3 3.91Å; F64-W90 HydrophobicContact CG-CH2 4.4Å; P67-W90 HydrophobicContact CB-CH2 4.3Å; P67-W90 HydrophobicContact CB-CZ2 4Å; A68-W90 HydrophobicContact CB-CH2 4.18Å; A68-W90 HydrophobicContact CB-CZ2 4.1Å; S71-W90 PolarHBondContact OG-NE1 2.97Å; S71-W90 VanDerWaalsContact OG-NE1 3.15Å; W86-W90 PolarHBondContact O-N 3.49Å; L87-W90 PolarHBondContact O-N 2.93Å; W90-Y93 HydrophobicContact CE3-CD1 4.08Å; W90-Y93 HydrophobicContact CE3-CG 4.45Å; W90-Y93 HydrophobicContact CZ3-CD1 4.05Å; W90-Y93 HydrophobicContact CZ3-CE1 4.36Å; W90-Y93 PolarHBondContact O-N 3.4Å; W90-G94 PolarHBondContact O-N 3.43Å
91V86.9Confident81.4Confident59 Ų5962.7 Ų62.736%0.35833%0.334SS..Hα-helixtrans-63.4-45.2174.8174.40000110.8L87 T88 Y89 G94 L95 Y137 I141L87-V91 WeakPolarHBondContact O-CG2 3.33Å; L87-V91 PolarHBondContact O-N 3.28Å; T88-V91 PolarHBondContact O-N 3.42Å; Y89-V91 PolarHBondContact O-N 3.45Å; V91-G94 PolarHBondContact O-N 3.31Å; V91-L95 WeakPolarHBondContact O-CG 3.28Å; V91-L95 PolarHBondContact O-N 3.06Å; V91-L95 VanDerWaalsContact O-N 3.14Å; V91-Y137 HydrophobicContact CG1-CD2 4.43Å; V91-I141 HydrophobicContact CG1-CD1 4.15Å; V91-I141 HydrophobicContact CG1-CG2 4.22Å
92V86.3Confident82.5Confident4 Ų461 Ų612%0.02432%0.324CS..Hα-helixtrans-67.6-41.9178174.30000111.2T88 Y89 L95 F96 S133 I136 I141T88-V92 WeakPolarHBondContact O-CG2 3.26Å; T88-V92 PolarHBondContact O-N 2.94Å; T88-V92 VanDerWaalsContact O-N 3.14Å; Y89-V92 PolarHBondContact O-N 3.2Å; V92-L95 PolarHBondContact O-N 2.99Å; V92-F96 VanDerWaalsContact O-CB 3.26Å; V92-F96 WeakPolarHBondContact O-CB 3.5Å; V92-F96 PolarHBondContact O-N 3.29Å; V92-S133 WeakPolarHBondContact CG2-O 3.44Å; V92-I136 HydrophobicContact CG1-CB 4.37Å; V92-I136 HydrophobicContact CG1-CD1 4.01Å; V92-I136 HydrophobicContact CG1-CG2 4.22Å; V92-I136 HydrophobicContact CG2-CB 4.29Å; V92-I136 HydrophobicContact CG2-CG2 4.2Å; V92-I141 HydrophobicContact CB-CD1 4.48Å; V92-I141 HydrophobicContact CG2-CD1 3.52Å
93Y86.3Confident83.5Confident28 Ų2859.5 Ų59.511%0.1132%0.32CS..Hα-helixtrans-59.5-46.5176.3-178.1-94.5000110.8Y89 W90 F96 S97 L121Y89-Y93 HydrophobicContact CE1-CD2 4.33Å; Y89-Y93 HydrophobicContact CE1-CG 4.34Å; Y89-Y93 VanDerWaalsContact O-CB 3.27Å; Y89-Y93 WeakPolarHBondContact O-CB 3.44Å; Y89-Y93 PolarHBondContact O-N 2.79Å; Y89-Y93 WeakPolarHBondContact OH-CD2 3.35Å; W90-Y93 HydrophobicContact CE3-CD1 4.08Å; W90-Y93 HydrophobicContact CE3-CG 4.45Å; W90-Y93 HydrophobicContact CZ3-CD1 4.05Å; W90-Y93 HydrophobicContact CZ3-CE1 4.36Å; W90-Y93 PolarHBondContact O-N 3.4Å; Y93-F96 CarbonylContact O-C 3.56Å; Y93-F96 WeakPolarHBondContact O-CB 3.36Å; Y93-F96 PolarHBondContact O-N 3.19Å; Y93-S97 WeakPolarHBondContact CE1-OG 3.23Å; Y93-S97 WeakPolarHBondContact O-CB 3.49Å; Y93-S97 PolarHBondContact O-N 2.8Å; Y93-S97 PolarHBondContact O-OG 2.87Å; Y93-S97 VanDerWaalsContact O-OG 3.08Å; Y93-L121 HydrophobicContact CD2-CD2 3.65Å; Y93-L121 HydrophobicContact CE2-CD1 4.42Å; Y93-L121 HydrophobicContact CE2-CD2 3.74Å
94G86.4Confident84Confident34 Ų3458.5 Ų58.535%0.35132%0.315SS..Hα-helixtrans-60.7-47.1177.700000113W90 V91 F96 S97 V98W90-G94 PolarHBondContact O-N 3.43Å; V91-G94 PolarHBondContact O-N 3.31Å; G94-F96 VanDerWaalsContact C-N 3.31Å; G94-F96 PolarHBondContact O-N 2.92Å; G94-S97 PolarHBondContact O-N 3.04Å; G94-V98 WeakPolarHBondContact O-CG2 3.27Å; G94-V98 PolarHBondContact O-N 3.39Å; G94-V98 VanDerWaalsContact O-N 3.1Å
95L86.8Confident84.4Confident99 Ų9959 Ų5952%0.51831%0.313SS..Hα-helixtrans-62.5-40.6175.2-71.6172.8000112.1V91 V92 V98 A99 I141V91-L95 WeakPolarHBondContact O-CG 3.28Å; V91-L95 PolarHBondContact O-N 3.06Å; V91-L95 VanDerWaalsContact O-N 3.14Å; V92-L95 PolarHBondContact O-N 2.99Å; L95-V98 PolarHBondContact O-N 3.26Å; L95-A99 PolarHBondContact O-N 3.26Å; L95-I141 HydrophobicContact CD1-CD1 3.45Å; L95-I141 VanDerWaalsContact CD1-CD1 3.45Å; L95-I141 HydrophobicContact CD1-CG1 3.68Å; L95-I141 HydrophobicContact CD1-CG2 4.32Å
96F86.7Confident84.6Confident42 Ų4260.9 Ų60.918%0.18432%0.321CS..Hα-helixtrans-63.8-44.3176.1-179.9-104.3000111.3V92 Y93 G94 V98 A99 E100 K117 F120 L121V92-F96 VanDerWaalsContact O-CB 3.26Å; V92-F96 WeakPolarHBondContact O-CB 3.5Å; V92-F96 PolarHBondContact O-N 3.29Å; Y93-F96 CarbonylContact O-C 3.56Å; Y93-F96 WeakPolarHBondContact O-CB 3.36Å; Y93-F96 PolarHBondContact O-N 3.19Å; G94-F96 VanDerWaalsContact C-N 3.31Å; G94-F96 PolarHBondContact O-N 2.92Å; F96-V98 VanDerWaalsContact C-N 3.31Å; F96-V98 PolarHBondContact O-N 3.43Å; F96-A99 CarbonylContact O-C 3.59Å; F96-A99 PolarHBondContact O-N 2.91Å; F96-E100 HydrophobicContact CE1-CB 4.43Å; F96-E100 HydrophobicContact CE1-CG 4.49Å; F96-E100 WeakPolarHBondContact O-CA 3.47Å; F96-E100 WeakPolarHBondContact O-CB 3.46Å; F96-E100 PolarHBondContact O-N 2.59Å; F96-K117 HydrophobicContact CE1-CG 3.93Å; F96-K117 HydrophobicContact CZ-CG 3.86Å; F96-F120 HydrophobicContact CB-CE1 4.12Å; F96-F120 HydrophobicContact CD1-CD1 4.23Å; F96-F120 HydrophobicContact CD1-CE1 4.14Å; F96-F120 AromaticContact CD2-CD1 3.65Å; F96-F120 HydrophobicContact CD2-CD1 3.65Å; F96-F120 AromaticContact CD2-CE1 3.24Å; F96-F120 HydrophobicContact CD2-CE1 3.24Å; F96-F120 AromaticContact CD2-CZ 4Å; F96-F120 HydrophobicContact CD2-CZ 4Å; F96-F120 HydrophobicContact CE1-CD1 4.03Å; F96-F120 HydrophobicContact CE1-CE1 4.39Å; F96-F120 AromaticContact CE2-CD1 3.42Å; F96-F120 HydrophobicContact CE2-CD1 3.42Å; F96-F120 VanDerWaalsContact CE2-CD1 3.42Å; F96-F120 AromaticContact CE2-CE1 3.55Å; F96-F120 HydrophobicContact CE2-CE1 3.55Å; F96-F120 HydrophobicContact CE2-CG 4.18Å; F96-F120 HydrophobicContact CE2-CZ 4.37Å; F96-F120 HydrophobicContact CG-CD1 4.03Å; F96-F120 AromaticContact CG-CE1 3.56Å; F96-F120 HydrophobicContact CG-CE1 3.56Å; F96-F120 AromaticContact CZ-CD1 3.61Å; F96-F120 HydrophobicContact CZ-CD1 3.61Å; F96-F120 HydrophobicContact CZ-CE1 4.11Å; F96-F120 HydrophobicContact CZ-CG 4.42Å; F96-L121 HydrophobicContact CD1-CD2 3.73Å; F96-L121 HydrophobicContact CD1-CG 4.42Å; F96-L121 HydrophobicContact CE1-CD1 4.39Å; F96-L121 HydrophobicContact CE1-CD2 3.83Å; F96-L121 HydrophobicContact CE1-CG 4.01Å
97S86.1Confident84.7Confident36 Ų3662.8 Ų62.825%0.25233%0.334SS..Hα-helixtrans-60.5-38.7177.5-660000112.5Y93 G94 E100 F101Y93-S97 WeakPolarHBondContact CE1-OG 3.23Å; Y93-S97 WeakPolarHBondContact O-CB 3.49Å; Y93-S97 PolarHBondContact O-N 2.8Å; Y93-S97 PolarHBondContact O-OG 2.87Å; Y93-S97 VanDerWaalsContact O-OG 3.08Å; G94-S97 PolarHBondContact O-N 3.04Å; S97-E100 PolarHBondContact O-N 3.08Å; S97-F101 PolarHBondContact O-N 3.39Å
98V86.3Confident84.4Confident93 Ų9360 Ų6056%0.56432%0.324SS*.Hα-helixtrans-66.2-47.7174.1175.10000110.7G94 L95 F96 E100 F101 F102G94-V98 WeakPolarHBondContact O-CG2 3.27Å; G94-V98 PolarHBondContact O-N 3.39Å; G94-V98 VanDerWaalsContact O-N 3.1Å; L95-V98 PolarHBondContact O-N 3.26Å; F96-V98 VanDerWaalsContact C-N 3.31Å; F96-V98 PolarHBondContact O-N 3.43Å; V98-E100 VanDerWaalsContact C-N 3.25Å; V98-E100 PolarHBondContact O-N 2.8Å; V98-F101 WeakPolarHBondContact O-CB 3.31Å; V98-F101 PolarHBondContact O-N 3.44Å; V98-F102 HydrophobicContact CG1-CE2 4.04Å; V98-F102 WeakPolarHBondContact O-CD2 3.33Å
99A84.8Confident84.1Confident56 Ų5668.9 Ų68.946%0.46336%0.355SS..Hα-helixtrans-62-36.1176.300000112.1L95 F96 F102 A103L95-A99 PolarHBondContact O-N 3.26Å; F96-A99 CarbonylContact O-C 3.59Å; F96-A99 PolarHBondContact O-N 2.91Å; A99-F102 PolarHBondContact O-N 3.27Å; A99-A103 WeakPolarHBondContact O-CB 3.47Å; A99-A103 PolarHBondContact O-N 3.01Å
100E83.6Confident83.9Confident13 Ų1373.1 Ų73.16%0.06137%0.374CS..Hα-helixtrans-65.9-39.3179.9-170.4-121.1151.800111.3S56 F96 S97 V98 F102 A103 D104 K117S56-E100 PolarHBondContact OG-OE1 3.46Å; F96-E100 HydrophobicContact CE1-CB 4.43Å; F96-E100 HydrophobicContact CE1-CG 4.49Å; F96-E100 WeakPolarHBondContact O-CA 3.47Å; F96-E100 WeakPolarHBondContact O-CB 3.46Å; F96-E100 PolarHBondContact O-N 2.59Å; S97-E100 PolarHBondContact O-N 3.08Å; V98-E100 VanDerWaalsContact C-N 3.25Å; V98-E100 PolarHBondContact O-N 2.8Å; E100-F102 PolarHBondContact O-N 3.23Å; E100-A103 CarbonylContact O-C 3.57Å; E100-A103 PolarHBondContact O-N 3.42Å; E100-A103 VanDerWaalsContact O-N 3.1Å; E100-D104 VanDerWaalsContact O-CB 3.32Å; E100-D104 WeakPolarHBondContact O-CB 3.36Å; E100-D104 PolarHBondContact O-N 3.14Å; E100-K117 HydrophobicContact CG-CD 4.1Å; E100-K117 WeakPolarHBondContact OE1-CE 3.48Å; E100-K117 IonicContact OE1-NZ 2.64Å; E100-K117 PolarHBondContact OE1-NZ 2.93Å; E100-K117 WeakPolarHBondContact OE2-CE 3.27Å; E100-K117 IonicContact OE2-NZ 2.94Å; E100-K117 PolarHBondContact OE2-NZ 2.76Å
101F82.3Confident83.2Confident137 Ų13772.8 Ų72.860%0.60138%0.381SS*.Hα-helixtrans-54.1-42.5173.4179.4-99.2000111.8S97 V98 I105S97-F101 PolarHBondContact O-N 3.39Å; V98-F101 WeakPolarHBondContact O-CB 3.31Å; V98-F101 PolarHBondContact O-N 3.44Å; F101-I105 HydrophobicContact CD1-CD1 4.4Å; F101-I105 HydrophobicContact CE1-CD1 4.05Å; F101-I105 HydrophobicContact CZ-CD1 4.43Å; F101-I105 WeakPolarHBondContact O-CG1 3.21Å
102F83.8Confident82.8Confident116 Ų11676.1 Ų76.151%0.50939%0.391SS..Hα-helixtrans-72.7-42.5174.8-62.3-77.1000112.1V98 A99 E100 D104 I105 F106V98-F102 HydrophobicContact CG1-CE2 4.04Å; V98-F102 WeakPolarHBondContact O-CD2 3.33Å; A99-F102 PolarHBondContact O-N 3.27Å; E100-F102 PolarHBondContact O-N 3.23Å; F102-D104 VanDerWaalsContact C-N 3.32Å; F102-D104 PolarHBondContact O-N 2.86Å; F102-I105 WeakPolarHBondContact O-CB 3.48Å; F102-I105 PolarHBondContact O-N 2.87Å; F102-F106 WeakPolarHBondContact O-CD2 3.4Å
103A83.9Confident82.5Confident27 Ų2777.4 Ų77.422%0.22340%0.395CS..Hα-helixtrans-63.8-36.3-179.500000112.3A99 E100 I105 F106 L107 Y113A99-A103 WeakPolarHBondContact O-CB 3.47Å; A99-A103 PolarHBondContact O-N 3.01Å; E100-A103 CarbonylContact O-C 3.57Å; E100-A103 PolarHBondContact O-N 3.42Å; E100-A103 VanDerWaalsContact O-N 3.1Å; A103-I105 VanDerWaalsContact C-N 3.31Å; A103-I105 PolarHBondContact O-N 3.45Å; A103-F106 PolarHBondContact O-N 2.76Å; A103-F106 VanDerWaalsContact O-N 3.16Å; A103-L107 HydrophobicContact CB-CD1 4.32Å; A103-L107 WeakPolarHBondContact O-CA 3.22Å; A103-L107 WeakPolarHBondContact O-CB 3.38Å; A103-L107 PolarHBondContact O-N 2.61Å; A103-Y113 HydrophobicContact CB-CE2 4.13Å; A103-Y113 VanDerWaalsContact CB-OH 3.26Å; A103-Y113 WeakPolarHBondContact CB-OH 3.35Å
104D81.9Confident82.2Confident44 Ų4477.9 Ų77.924%0.23540%0.397CS..Hα-helixtrans-65.5-34.7177.7-158.346.2000111.5E100 F102 F106 S108 Y113 Y114E100-D104 VanDerWaalsContact O-CB 3.32Å; E100-D104 WeakPolarHBondContact O-CB 3.36Å; E100-D104 PolarHBondContact O-N 3.14Å; F102-D104 VanDerWaalsContact C-N 3.32Å; F102-D104 PolarHBondContact O-N 2.86Å; D104-F106 VanDerWaalsContact C-N 3.27Å; D104-F106 PolarHBondContact O-N 3.22Å; D104-S108 WeakPolarHBondContact O-CB 3.34Å; D104-S108 PolarHBondContact O-N 3.34Å; D104-S108 PolarHBondContact O-OG 3.41Å; D104-Y113 PolarHBondContact N-OH 2.89Å; D104-Y114 WeakPolarHBondContact OD1-CE1 3.42Å; D104-Y114 PolarHBondContact OD1-OH 3.48Å
105I83.1Confident82Confident103 Ų10379.2 Ų79.253%0.52840%0.396SS..Hα-helixtrans-60.2-37.1173.8-65.8166.7000111.4F101 F102 A103F101-I105 HydrophobicContact CD1-CD1 4.4Å; F101-I105 HydrophobicContact CE1-CD1 4.05Å; F101-I105 HydrophobicContact CZ-CD1 4.43Å; F101-I105 WeakPolarHBondContact O-CG1 3.21Å; F102-I105 WeakPolarHBondContact O-CB 3.48Å; F102-I105 PolarHBondContact O-N 2.87Å; A103-I105 VanDerWaalsContact C-N 3.31Å; A103-I105 PolarHBondContact O-N 3.45Å
106F82.4Confident81.7Confident142 Ų14276.5 Ų76.562%0.62339%0.392SS*.Hα-helixtrans-100.2-27.5-174.5-62-69.4000114.7F102 A103 D104 W109F102-F106 WeakPolarHBondContact O-CD2 3.4Å; A103-F106 PolarHBondContact O-N 2.76Å; A103-F106 VanDerWaalsContact O-N 3.16Å; D104-F106 VanDerWaalsContact C-N 3.27Å; D104-F106 PolarHBondContact O-N 3.22Å; F106-W109 PolarHBondContact O-NE1 3.1Å
107L82.3Confident81.5Confident79 Ų7974.8 Ų74.841%0.41438%0.384SS..Hα-helixtrans-117.8-2.7-167.8-58.7176.9000113.9A103 W109 F110 Y113A103-L107 HydrophobicContact CB-CD1 4.32Å; A103-L107 WeakPolarHBondContact O-CA 3.22Å; A103-L107 WeakPolarHBondContact O-CB 3.38Å; A103-L107 PolarHBondContact O-N 2.61Å; L107-W109 PolarHBondContact O-N 3.42Å; L107-W109 VanDerWaalsContact O-N 3.16Å; L107-F110 WeakPolarHBondContact O-CB 3.38Å; L107-F110 PolarHBondContact O-N 3.05Å; L107-Y113 HydrophobicContact CB-CD2 3.71Å; L107-Y113 HydrophobicContact CB-CE2 3.95Å; L107-Y113 HydrophobicContact CB-CG 4.03Å; L107-Y113 HydrophobicContact CD1-CD2 4.02Å; L107-Y113 HydrophobicContact CD1-CE2 3.94Å
108S75.3Confident81.4Confident57 Ų5774 Ų7440%0.39938%0.378SS..THydrogen-bonded Turntrans-58.5-26.6178.449.10000114.1D104 F110D104-S108 WeakPolarHBondContact O-CB 3.34Å; D104-S108 PolarHBondContact O-N 3.34Å; D104-S108 PolarHBondContact O-OG 3.41Å; S108-F110 VanDerWaalsContact C-N 3.27Å; S108-F110 PolarHBondContact O-N 3.31Å
109W79Confident81.3Confident205 Ų20572.3 Ų72.378%0.77737%0.374SS*.THydrogen-bonded Turntrans-74.5-14.3175.773.1-84.2000113.6F106 L107F106-W109 PolarHBondContact O-NE1 3.1Å; L107-W109 PolarHBondContact O-N 3.42Å; L107-W109 VanDerWaalsContact O-N 3.16Å
110F80.7Confident81.3Confident94 Ų9472.3 Ų72.341%0.41236%0.364SS..SBendtrans-86.7117.9-178.3-177.5-108.6000111.1L107 S108 F112 Y113L107-F110 WeakPolarHBondContact O-CB 3.38Å; L107-F110 PolarHBondContact O-N 3.05Å; S108-F110 VanDerWaalsContact C-N 3.27Å; S108-F110 PolarHBondContact O-N 3.31Å; F110-F112 VanDerWaalsContact C-N 3.27Å; F110-F112 HydrophobicContact CD1-CB 4.26Å; F110-F112 HydrophobicContact CE1-CB 3.63Å; F110-F112 HydrophobicContact CE1-CD2 4.21Å; F110-F112 HydrophobicContact CE1-CG 4.44Å; F110-F112 HydrophobicContact CE2-CD2 4.44Å; F110-F112 HydrophobicContact CZ-CB 4.16Å; F110-F112 AromaticContact CZ-CD2 3.88Å; F110-F112 HydrophobicContact CZ-CD2 3.88Å; F110-F112 PolarHBondContact O-N 3.08Å; F110-F112 VanDerWaalsContact O-N 3.09Å; F110-Y113 VanDerWaalsContact O-CB 3.25Å; F110-Y113 WeakPolarHBondContact O-CB 3.35Å; F110-Y113 PolarHBondContact O-N 3.31Å
111P72Confident81.3Confident61 Ų6171.9 Ų71.940%0.39636%0.362SS..THydrogen-bonded Turntrans-65.7-20.3-16722.7-33.6000115.4V50V50-P111 HydrophobicContact CG1-CB 4.3Å
112F78.1Confident81.4Confident128 Ų12868.6 Ų68.656%0.56135%0.353SS*.THydrogen-bonded Turntrans-98.71.3178.6-55.9-73.7000113.8F110 I115 G116F110-F112 VanDerWaalsContact C-N 3.27Å; F110-F112 HydrophobicContact CD1-CB 4.26Å; F110-F112 HydrophobicContact CE1-CB 3.63Å; F110-F112 HydrophobicContact CE1-CD2 4.21Å; F110-F112 HydrophobicContact CE1-CG 4.44Å; F110-F112 HydrophobicContact CE2-CD2 4.44Å; F110-F112 HydrophobicContact CZ-CB 4.16Å; F110-F112 AromaticContact CZ-CD2 3.88Å; F110-F112 HydrophobicContact CZ-CD2 3.88Å; F110-F112 PolarHBondContact O-N 3.08Å; F110-F112 VanDerWaalsContact O-N 3.09Å; F112-I115 HydrophobicContact CD1-CD1 4.19Å; F112-I115 PolarHBondContact O-N 2.78Å; F112-G116 PolarHBondContact O-N 3.47Å; F112-G116 VanDerWaalsContact O-N 3.11Å
113Y81.9Confident81.4Confident32 Ų3268 Ų6813%0.12535%0.347CS..Hα-helixtrans-60.3-49.7-177.2171.5-112.4000112.1A103 D104 L107 F110 I115 G116 K117A103-Y113 HydrophobicContact CB-CE2 4.13Å; A103-Y113 VanDerWaalsContact CB-OH 3.26Å; A103-Y113 WeakPolarHBondContact CB-OH 3.35Å; D104-Y113 PolarHBondContact N-OH 2.89Å; L107-Y113 HydrophobicContact CB-CD2 3.71Å; L107-Y113 HydrophobicContact CB-CE2 3.95Å; L107-Y113 HydrophobicContact CB-CG 4.03Å; L107-Y113 HydrophobicContact CD1-CD2 4.02Å; L107-Y113 HydrophobicContact CD1-CE2 3.94Å; F110-Y113 VanDerWaalsContact O-CB 3.25Å; F110-Y113 WeakPolarHBondContact O-CB 3.35Å; F110-Y113 PolarHBondContact O-N 3.31Å; Y113-I115 VanDerWaalsContact C-N 3.33Å; Y113-I115 PolarHBondContact O-N 3.33Å; Y113-G116 PolarHBondContact O-N 2.83Å; Y113-G116 VanDerWaalsContact O-N 3.16Å; Y113-K117 WeakPolarHBondContact O-CB 3.46Å; Y113-K117 PolarHBondContact O-N 3.3Å
114Y78.9Confident81.2Confident37 Ų3766.8 Ų66.815%0.14534%0.337CS..Hα-helixtrans-68.5-28.8-178.2-62.9-63.4000113.6A55 D104 K117 C118A55-Y114 HydrophobicContact CB-CD1 4.4Å; A55-Y114 HydrophobicContact CB-CD2 3.88Å; A55-Y114 HydrophobicContact CB-CE2 4.43Å; A55-Y114 HydrophobicContact CB-CG 3.86Å; D104-Y114 WeakPolarHBondContact OD1-CE1 3.42Å; D104-Y114 PolarHBondContact OD1-OH 3.48Å; Y114-K117 HydrophobicContact CD1-CD 4.31Å; Y114-C118 WeakPolarHBondContact O-CB 3.46Å; Y114-C118 PolarHBondContact O-N 2.86Å
115I81.5Confident81Confident63 Ų6365.7 Ų65.732%0.32333%0.331SS..Hα-helixtrans-64.9-49.6170.3-68.9172.3000109.8V50 F112 Y113 K117 C118 A119V50-I115 HydrophobicContact CG2-CD1 3.24Å; V50-I115 HydrophobicContact CG2-CG1 3.93Å; F112-I115 HydrophobicContact CD1-CD1 4.19Å; F112-I115 PolarHBondContact O-N 2.78Å; Y113-I115 VanDerWaalsContact C-N 3.33Å; Y113-I115 PolarHBondContact O-N 3.33Å; I115-K117 VanDerWaalsContact C-N 3.31Å; I115-K117 PolarHBondContact O-N 2.98Å; I115-C118 PolarHBondContact O-N 3.17Å; I115-A119 WeakPolarHBondContact O-CB 3.5Å; I115-A119 PolarHBondContact O-N 3Å
116G82.1Confident80.8Confident42 Ų4261.9 Ų61.943%0.43332%0.315SS..Hα-helixtrans-59.2-43.6178.100000111.9F112 Y113 A119 F120F112-G116 PolarHBondContact O-N 3.47Å; F112-G116 VanDerWaalsContact O-N 3.11Å; Y113-G116 PolarHBondContact O-N 2.83Å; Y113-G116 VanDerWaalsContact O-N 3.16Å; G116-A119 PolarHBondContact O-N 3.47Å; G116-F120 WeakPolarHBondContact O-CB 3.49Å; G116-F120 PolarHBondContact O-N 3.15Å
117K82Confident80.1Confident6 Ų660.2 Ų60.23%0.02632%0.318CS..Hα-helixtrans-56.1-51.5173.6-176-169.8170.5-177.40111.4S56 C59 N60 F96 E100 Y113 Y114 I115 A119 F120 L121S56-K117 PolarHBondContact OG-NZ 2.74Å; S56-K117 VanDerWaalsContact OG-NZ 3.17Å; C59-K117 HydrophobicContact CB-CD 4.24Å; N60-K117 WeakPolarHBondContact OD1-CE 3.41Å; N60-K117 PolarHBondContact OD1-NZ 2.82Å; F96-K117 HydrophobicContact CE1-CG 3.93Å; F96-K117 HydrophobicContact CZ-CG 3.86Å; E100-K117 HydrophobicContact CG-CD 4.1Å; E100-K117 WeakPolarHBondContact OE1-CE 3.48Å; E100-K117 IonicContact OE1-NZ 2.64Å; E100-K117 PolarHBondContact OE1-NZ 2.93Å; E100-K117 WeakPolarHBondContact OE2-CE 3.27Å; E100-K117 IonicContact OE2-NZ 2.94Å; E100-K117 PolarHBondContact OE2-NZ 2.76Å; Y113-K117 WeakPolarHBondContact O-CB 3.46Å; Y113-K117 PolarHBondContact O-N 3.3Å; Y114-K117 HydrophobicContact CD1-CD 4.31Å; I115-K117 VanDerWaalsContact C-N 3.31Å; I115-K117 PolarHBondContact O-N 2.98Å; K117-A119 PolarHBondContact O-N 2.8Å; K117-F120 WeakPolarHBondContact O-CB 3.42Å; K117-F120 PolarHBondContact O-N 2.97Å; K117-L121 PolarHBondContact O-N 2.92Å
118C82.8Confident79.4Confident18 Ų1858.6 Ų58.612%0.12231%0.312CS..Hα-helixtrans-64-42-179.3-166.50000111.7L49 C59 Y114 I115 F120 L121 V122L49-C118 HydrophobicContact CD1-CB 3.99Å; C59-C118 WeakPolarHBondContact SG-CA 3.5Å; Y114-C118 WeakPolarHBondContact O-CB 3.46Å; Y114-C118 PolarHBondContact O-N 2.86Å; I115-C118 PolarHBondContact O-N 3.17Å; C118-F120 VanDerWaalsContact C-N 3.32Å; C118-F120 PolarHBondContact O-N 3.34Å; C118-L121 PolarHBondContact O-N 3.34Å; C118-V122 WeakPolarHBondContact O-CB 3.09Å; C118-V122 VanDerWaalsContact O-CG2 3.27Å; C118-V122 WeakPolarHBondContact O-CG2 3.46Å; C118-V122 PolarHBondContact O-N 2.74Å
119A84.3Confident78.9Confident59 Ų5962.3 Ų62.349%0.48834%0.335SS..Hα-helixtrans-61.9-41.1176.700000111.8I115 G116 K117 V122 W123I115-A119 WeakPolarHBondContact O-CB 3.5Å; I115-A119 PolarHBondContact O-N 3Å; G116-A119 PolarHBondContact O-N 3.47Å; K117-A119 PolarHBondContact O-N 2.8Å; A119-V122 PolarHBondContact O-N 3.17Å; A119-W123 WeakPolarHBondContact O-CB 3.2Å; A119-W123 PolarHBondContact O-N 3.19Å
120F85.3Confident78.5Confident56 Ų5656.3 Ų56.325%0.24632%0.324CS..Hα-helixtrans-61.9-47.4175.2176.4-95.3000112F96 G116 K117 C118 V122 W123 C124 I136F96-F120 HydrophobicContact CB-CE1 4.12Å; F96-F120 HydrophobicContact CD1-CD1 4.23Å; F96-F120 HydrophobicContact CD1-CE1 4.14Å; F96-F120 AromaticContact CD2-CD1 3.65Å; F96-F120 HydrophobicContact CD2-CD1 3.65Å; F96-F120 AromaticContact CD2-CE1 3.24Å; F96-F120 HydrophobicContact CD2-CE1 3.24Å; F96-F120 AromaticContact CD2-CZ 4Å; F96-F120 HydrophobicContact CD2-CZ 4Å; F96-F120 HydrophobicContact CE1-CD1 4.03Å; F96-F120 HydrophobicContact CE1-CE1 4.39Å; F96-F120 AromaticContact CE2-CD1 3.42Å; F96-F120 HydrophobicContact CE2-CD1 3.42Å; F96-F120 VanDerWaalsContact CE2-CD1 3.42Å; F96-F120 AromaticContact CE2-CE1 3.55Å; F96-F120 HydrophobicContact CE2-CE1 3.55Å; F96-F120 HydrophobicContact CE2-CG 4.18Å; F96-F120 HydrophobicContact CE2-CZ 4.37Å; F96-F120 HydrophobicContact CG-CD1 4.03Å; F96-F120 AromaticContact CG-CE1 3.56Å; F96-F120 HydrophobicContact CG-CE1 3.56Å; F96-F120 AromaticContact CZ-CD1 3.61Å; F96-F120 HydrophobicContact CZ-CD1 3.61Å; F96-F120 HydrophobicContact CZ-CE1 4.11Å; F96-F120 HydrophobicContact CZ-CG 4.42Å; G116-F120 WeakPolarHBondContact O-CB 3.49Å; G116-F120 PolarHBondContact O-N 3.15Å; K117-F120 WeakPolarHBondContact O-CB 3.42Å; K117-F120 PolarHBondContact O-N 2.97Å; C118-F120 VanDerWaalsContact C-N 3.32Å; C118-F120 PolarHBondContact O-N 3.34Å; F120-V122 PolarHBondContact O-N 3.45Å; F120-W123 HydrophobicContact CD2-CE3 4.09Å; F120-W123 HydrophobicContact CD2-CZ3 4.34Å; F120-W123 HydrophobicContact CE2-CE3 4.21Å; F120-W123 HydrophobicContact CE2-CZ3 4.1Å; F120-W123 PolarHBondContact O-N 2.81Å; F120-C124 PolarHBondContact O-N 2.75Å; F120-C124 PolarHBondContact O-SG 3.47Å; F120-I136 HydrophobicContact CE2-CD1 3.74Å; F120-I136 HydrophobicContact CZ-CD1 3.56Å
121L83.8Confident78.5Confident3 Ų352.8 Ų52.82%0.01631%0.309CS..Hα-helixtrans-62.3-43.1177.5-71.2176.9000112.1Y93 F96 K117 C118 W123 C124 M125Y93-L121 HydrophobicContact CD2-CD2 3.65Å; Y93-L121 HydrophobicContact CE2-CD1 4.42Å; Y93-L121 HydrophobicContact CE2-CD2 3.74Å; F96-L121 HydrophobicContact CD1-CD2 3.73Å; F96-L121 HydrophobicContact CD1-CG 4.42Å; F96-L121 HydrophobicContact CE1-CD1 4.39Å; F96-L121 HydrophobicContact CE1-CD2 3.83Å; F96-L121 HydrophobicContact CE1-CG 4.01Å; K117-L121 PolarHBondContact O-N 2.92Å; C118-L121 PolarHBondContact O-N 3.34Å; L121-W123 VanDerWaalsContact C-N 3.32Å; L121-W123 PolarHBondContact O-N 2.8Å; L121-C124 PolarHBondContact O-N 3.42Å; L121-M125 PolarHBondContact O-N 2.96Å
122V83.8Confident79Confident69 Ų6949.9 Ų49.942%0.41829%0.291SS..Hα-helixtrans-60.6-42.4175.2170.70000110.9C118 A119 F120 C124 M125 A126C118-V122 WeakPolarHBondContact O-CB 3.09Å; C118-V122 VanDerWaalsContact O-CG2 3.27Å; C118-V122 WeakPolarHBondContact O-CG2 3.46Å; C118-V122 PolarHBondContact O-N 2.74Å; A119-V122 PolarHBondContact O-N 3.17Å; F120-V122 PolarHBondContact O-N 3.45Å; V122-C124 VanDerWaalsContact C-N 3.32Å; V122-C124 PolarHBondContact O-N 3.21Å; V122-M125 VanDerWaalsContact O-CG 3.25Å; V122-M125 WeakPolarHBondContact O-CG 3.39Å; V122-M125 PolarHBondContact O-N 3.17Å; V122-A126 WeakPolarHBondContact O-CB 3.29Å; V122-A126 PolarHBondContact O-N 3.42Å
123W84.2Confident79.2Confident102 Ų10243.8 Ų43.839%0.38626%0.264SS..Hα-helixtrans-64.4-36.5176.2176.252000112.8A119 F120 L121 A126 S130 G132 I136A119-W123 WeakPolarHBondContact O-CB 3.2Å; A119-W123 PolarHBondContact O-N 3.19Å; F120-W123 HydrophobicContact CD2-CE3 4.09Å; F120-W123 HydrophobicContact CD2-CZ3 4.34Å; F120-W123 HydrophobicContact CE2-CE3 4.21Å; F120-W123 HydrophobicContact CE2-CZ3 4.1Å; F120-W123 PolarHBondContact O-N 2.81Å; L121-W123 VanDerWaalsContact C-N 3.32Å; L121-W123 PolarHBondContact O-N 2.8Å; W123-A126 PolarHBondContact O-N 3.14Å; W123-S130 PolarHBondContact NE1-O 2.98Å; W123-G132 VanDerWaalsContact CE2-CA 3.46Å; W123-G132 VanDerWaalsContact CZ2-CA 3.41Å; W123-G132 PolarHBondContact O-N 2.91Å; W123-I136 HydrophobicContact CZ3-CD1 4.43Å
124C80.4Confident79.3Confident2 Ų245 Ų451%0.01427%0.272CS..Hα-helixtrans-69.9-31.8176.1-74.20000113.3Y89 F120 L121 V122 N131Y89-C124 HydrophobicContact CD2-CB 4.12Å; Y89-C124 WeakPolarHBondContact CD2-O 3.3Å; Y89-C124 HydrophobicContact CE2-CB 3.88Å; F120-C124 PolarHBondContact O-N 2.75Å; F120-C124 PolarHBondContact O-SG 3.47Å; L121-C124 PolarHBondContact O-N 3.42Å; V122-C124 VanDerWaalsContact C-N 3.32Å; V122-C124 PolarHBondContact O-N 3.21Å; C124-N131 VanDerWaalsContact O-CG 3.31Å; C124-N131 PolarHBondContact O-ND2 2.8Å; C124-N131 PolarHBondContact O-OD1 3.48Å; C124-N131 VanDerWaalsContact O-OD1 3.08Å
125M76.4Confident79.6Confident22 Ų2246.6 Ų46.611%0.10828%0.283CS..Hα-helixtrans-88.5-1317670.617876.200113.7I62 Y66 P67 Y89 L121 V122I62-M125 HydrophobicContact CG2-CE 4.47Å; Y66-M125 HydrophobicContact CD1-SD 3.8Å; Y66-M125 HydrophobicContact CE1-SD 4.41Å; P67-M125 HydrophobicContact CG-CB 4.17Å; P67-M125 HydrophobicContact CG-CE 4.36Å; Y89-M125 HydrophobicContact CD2-CB 4.43Å; Y89-M125 HydrophobicContact CE2-CB 3.91Å; L121-M125 PolarHBondContact O-N 2.96Å; V122-M125 VanDerWaalsContact O-CG 3.25Å; V122-M125 WeakPolarHBondContact O-CG 3.39Å; V122-M125 PolarHBondContact O-N 3.17Å
126A79.2Confident79.9Confident22 Ų2245.4 Ų45.418%0.18228%0.277CS..  trans-63.6130.1-172.400000111.9V122 W123 T128 N131V122-A126 WeakPolarHBondContact O-CB 3.29Å; V122-A126 PolarHBondContact O-N 3.42Å; W123-A126 PolarHBondContact O-N 3.14Å; A126-T128 HydrophobicContact CB-CG2 4.09Å; A126-T128 PolarHBondContact O-N 3.42Å; A126-N131 PolarHBondContact O-ND2 3.32Å
127P67.3Low80Confident107 Ų10747 Ų4770%0.69527%0.27SS*.  trans-77.868.2177.432.7-35.2000110.2R8R8-P127 PolarHBondContact NH2-O 3.02Å; R8-P127 VanDerWaalsContact NH2-O 3.12Å
128T69.5Low80.2Confident46 Ų4653 Ų5328%0.28230%0.298SS..SBendtrans-123.6152.418065.80000110.3A126 S130 N131A126-T128 HydrophobicContact CB-CG2 4.09Å; A126-T128 PolarHBondContact O-N 3.42Å; T128-S130 PolarHBondContact O-N 3.22Å; T128-S130 VanDerWaalsContact O-N 3.12Å; T128-N131 WeakPolarHBondContact O-CB 3.35Å; T128-N131 PolarHBondContact O-N 3.1Å
129P64.1Low80.4Confident134 Ų13461.2 Ų61.287%0.8733%0.327SS*.THydrogen-bonded Turntrans-57.8-24.1174.6-2332.9000113.2
130S70.8Confident80.5Confident80 Ų8062 Ų6256%0.55933%0.325SS*.THydrogen-bonded Turntrans-103.344.1174.8-51.50000111.5W123 T128 G132W123-S130 PolarHBondContact NE1-O 2.98Å; T128-S130 PolarHBondContact O-N 3.22Å; T128-S130 VanDerWaalsContact O-N 3.12Å; S130-G132 PolarHBondContact O-N 3.43Å
131N80.6Confident80.6Confident19 Ų1960.4 Ų60.410%0.10232%0.319CS..  trans-59125.3174.8179.2-71.3000109.8C124 A126 T128 S133 I134 L135C124-N131 VanDerWaalsContact O-CG 3.31Å; C124-N131 PolarHBondContact O-ND2 2.8Å; C124-N131 PolarHBondContact O-OD1 3.48Å; C124-N131 VanDerWaalsContact O-OD1 3.08Å; A126-N131 PolarHBondContact O-ND2 3.32Å; T128-N131 WeakPolarHBondContact O-CB 3.35Å; T128-N131 PolarHBondContact O-N 3.1Å; N131-S133 VanDerWaalsContact C-N 3.27Å; N131-S133 PolarHBondContact O-N 3.15Å; N131-S133 WeakPolarHBondContact OD1-CA 3.25Å; N131-S133 WeakPolarHBondContact OD1-CB 3.46Å; N131-S133 PolarHBondContact OD1-N 3.35Å; N131-S133 PolarHBondContact OD1-OG 3.5Å; N131-I134 HydrophobicContact CB-CB 4.45Å; N131-I134 HydrophobicContact CB-CD1 4.01Å; N131-I134 HydrophobicContact CB-CG1 4.14Å; N131-I134 PolarHBondContact O-N 2.87Å; N131-I134 PolarHBondContact OD1-N 3.08Å; N131-L135 PolarHBondContact O-N 2.64Å
132G81.9Confident80.7Confident0 Ų067 Ų670%034%0.344CS..Hα-helixtrans-60.8-36-174.600000113.4W123 S130 L135 I136W123-G132 VanDerWaalsContact CE2-CA 3.46Å; W123-G132 VanDerWaalsContact CZ2-CA 3.41Å; W123-G132 PolarHBondContact O-N 2.91Å; S130-G132 PolarHBondContact O-N 3.43Å; G132-L135 PolarHBondContact O-N 3.5Å; G132-I136 WeakPolarHBondContact O-CB 3.32Å; G132-I136 WeakPolarHBondContact O-CD1 3.49Å; G132-I136 WeakPolarHBondContact O-CG1 3.36Å; G132-I136 PolarHBondContact O-N 3.22Å
133S82.7Confident80.9Confident1 Ų166.8 Ų66.81%0.00734%0.344CS..Hα-helixtrans-66.5-42.7179.574.70000112.1V92 N131 L135 I136 Y137V92-S133 WeakPolarHBondContact CG2-O 3.44Å; N131-S133 VanDerWaalsContact C-N 3.27Å; N131-S133 PolarHBondContact O-N 3.15Å; N131-S133 WeakPolarHBondContact OD1-CA 3.25Å; N131-S133 WeakPolarHBondContact OD1-CB 3.46Å; N131-S133 PolarHBondContact OD1-N 3.35Å; N131-S133 PolarHBondContact OD1-OG 3.5Å; S133-L135 VanDerWaalsContact C-N 3.34Å; S133-L135 PolarHBondContact O-N 3.27Å; S133-I136 PolarHBondContact O-N 2.93Å; S133-Y137 WeakPolarHBondContact O-CB 3.4Å; S133-Y137 PolarHBondContact O-N 3.3Å
134I83.8Confident81Confident56 Ų5666.7 Ų66.729%0.28735%0.35SS..Hα-helixtrans-63.4-43.1177.6-60177.9000110.5T88 N131 Y137 Q138T88-I134 HydrophobicContact CG2-CG1 4.44Å; N131-I134 HydrophobicContact CB-CB 4.45Å; N131-I134 HydrophobicContact CB-CD1 4.01Å; N131-I134 HydrophobicContact CB-CG1 4.14Å; N131-I134 PolarHBondContact O-N 2.87Å; N131-I134 PolarHBondContact OD1-N 3.08Å; I134-Y137 PolarHBondContact O-N 2.84Å; I134-Q138 HydrophobicContact CG2-CG 4.34Å; I134-Q138 WeakPolarHBondContact O-CB 3.33Å; I134-Q138 WeakPolarHBondContact O-CG 3.19Å; I134-Q138 PolarHBondContact O-N 2.91Å
135L85.6Confident81.3Confident71 Ų7170.9 Ų70.937%0.37237%0.368SS..Hα-helixtrans-65-46.9-179.3-167.4154.3000111.6N131 G132 S133 Y137 Q138 R139N131-L135 PolarHBondContact O-N 2.64Å; G132-L135 PolarHBondContact O-N 3.5Å; S133-L135 VanDerWaalsContact C-N 3.34Å; S133-L135 PolarHBondContact O-N 3.27Å; L135-Y137 VanDerWaalsContact C-N 3.32Å; L135-Y137 PolarHBondContact O-N 2.98Å; L135-Q138 PolarHBondContact O-N 2.91Å; L135-R139 WeakPolarHBondContact O-CB 3.46Å; L135-R139 PolarHBondContact O-N 3.5Å
136I87.5Confident81.9Confident39 Ų3974.4 Ų74.420%0.239%0.387CS..Hα-helixtrans-62.9-42.9177.4-67.9166.3000110.1V92 F120 W123 G132 S133 V140 I141V92-I136 HydrophobicContact CG1-CB 4.37Å; V92-I136 HydrophobicContact CG1-CD1 4.01Å; V92-I136 HydrophobicContact CG1-CG2 4.22Å; V92-I136 HydrophobicContact CG2-CB 4.29Å; V92-I136 HydrophobicContact CG2-CG2 4.2Å; F120-I136 HydrophobicContact CE2-CD1 3.74Å; F120-I136 HydrophobicContact CZ-CD1 3.56Å; W123-I136 HydrophobicContact CZ3-CD1 4.43Å; G132-I136 WeakPolarHBondContact O-CB 3.32Å; G132-I136 WeakPolarHBondContact O-CD1 3.49Å; G132-I136 WeakPolarHBondContact O-CG1 3.36Å; G132-I136 PolarHBondContact O-N 3.22Å; S133-I136 PolarHBondContact O-N 2.93Å; I136-V140 WeakPolarHBondContact O-CB 3.43Å; I136-V140 PolarHBondContact O-N 3.49Å; I136-I141 HydrophobicContact CG2-CD1 4.03Å; I136-I141 HydrophobicContact CG2-CG1 4.21Å; I136-I141 PolarHBondContact O-N 3.24Å
137Y85.2Confident82.4Confident76 Ų7681.5 Ų81.530%0.29841%0.414SS..Iπ-helixtrans-61.3-52.1178.7-177.3-92.4000111.9T88 V91 S133 I134 L135 R139 I141 R142T88-Y137 VanDerWaalsContact CG2-CB 3.46Å; T88-Y137 HydrophobicContact CG2-CD1 4.23Å; T88-Y137 HydrophobicContact CG2-CD2 4.12Å; T88-Y137 HydrophobicContact CG2-CG 3.68Å; V91-Y137 HydrophobicContact CG1-CD2 4.43Å; S133-Y137 WeakPolarHBondContact O-CB 3.4Å; S133-Y137 PolarHBondContact O-N 3.3Å; I134-Y137 PolarHBondContact O-N 2.84Å; L135-Y137 VanDerWaalsContact C-N 3.32Å; L135-Y137 PolarHBondContact O-N 2.98Å; Y137-R139 VanDerWaalsContact C-N 3.35Å; Y137-R139 PolarHBondContact O-N 3.33Å; Y137-I141 HydrophobicContact CD2-CB 4Å; Y137-I141 HydrophobicContact CD2-CD1 4.14Å; Y137-I141 HydrophobicContact CD2-CG2 3.99Å; Y137-I141 HydrophobicContact CE2-CG2 4.12Å; Y137-I141 PolarHBondContact O-N 3.26Å; Y137-R142 HydrophobicContact CD1-CB 4.49Å; Y137-R142 HydrophobicContact CE1-CB 4.24Å; Y137-R142 VanDerWaalsContact O-CB 3.25Å; Y137-R142 WeakPolarHBondContact O-CB 3.05Å; Y137-R142 PolarHBondContact O-N 3.05Å
138Q85.4Confident83.5Confident130 Ų13079 Ų7961%0.60740%0.395SS*.Iπ-helixtrans-66.6-36.4-177.4-72-176.9-16.900112.9I134 L135I134-Q138 HydrophobicContact CG2-CG 4.34Å; I134-Q138 WeakPolarHBondContact O-CB 3.33Å; I134-Q138 WeakPolarHBondContact O-CG 3.19Å; I134-Q138 PolarHBondContact O-N 2.91Å; L135-Q138 PolarHBondContact O-N 2.91Å
139R86.6Confident84.4Confident192 Ų19280.4 Ų80.473%0.72540%0.398SS*.Iπ-helixtrans-91.8-29.4-170.7-157.5172.2-158.1142.23.1114.1L135 Y137 P143L135-R139 WeakPolarHBondContact O-CB 3.46Å; L135-R139 PolarHBondContact O-N 3.5Å; Y137-R139 VanDerWaalsContact C-N 3.35Å; Y137-R139 PolarHBondContact O-N 3.33Å; R139-P143 VanDerWaalsContact O-CG 3.31Å; R139-P143 WeakPolarHBondContact O-CG 3.1Å
140V87.2Confident85.5Confident76 Ų7677.3 Ų77.346%0.46138%0.384SS..Iπ-helixtrans-120.8-56.2-173.3-175.70000110.9I136 P143 L144I136-V140 WeakPolarHBondContact O-CB 3.43Å; I136-V140 PolarHBondContact O-N 3.49Å; V140-P143 WeakPolarHBondContact O-CD 3.47Å; V140-P143 WeakPolarHBondContact O-CG 3.43Å; V140-L144 HydrophobicContact CG1-CD1 3.87Å; V140-L144 WeakPolarHBondContact O-CB 3.41Å; V140-L144 WeakPolarHBondContact O-CD1 3.28Å; V140-L144 WeakPolarHBondContact O-CG 3.35Å; V140-L144 PolarHBondContact O-N 2.83Å
141I86.1Confident86.5Confident22 Ų2280.6 Ų80.611%0.11339%0.388CS..Iπ-helixtrans-69-50.4-170.3-55.5174000110.9V91 V92 L95 I136 Y137 L144 F145V91-I141 HydrophobicContact CG1-CD1 4.15Å; V91-I141 HydrophobicContact CG1-CG2 4.22Å; V92-I141 HydrophobicContact CB-CD1 4.48Å; V92-I141 HydrophobicContact CG2-CD1 3.52Å; L95-I141 HydrophobicContact CD1-CD1 3.45Å; L95-I141 VanDerWaalsContact CD1-CD1 3.45Å; L95-I141 HydrophobicContact CD1-CG1 3.68Å; L95-I141 HydrophobicContact CD1-CG2 4.32Å; I136-I141 HydrophobicContact CG2-CD1 4.03Å; I136-I141 HydrophobicContact CG2-CG1 4.21Å; I136-I141 PolarHBondContact O-N 3.24Å; Y137-I141 HydrophobicContact CD2-CB 4Å; Y137-I141 HydrophobicContact CD2-CD1 4.14Å; Y137-I141 HydrophobicContact CD2-CG2 3.99Å; Y137-I141 HydrophobicContact CE2-CG2 4.12Å; Y137-I141 PolarHBondContact O-N 3.26Å; I141-L144 PolarHBondContact O-N 3.39Å; I141-F145 WeakPolarHBondContact O-CB 3.48Å; I141-F145 PolarHBondContact O-N 3.48Å
142R86.4Confident86.9Confident140 Ų14083.2 Ų83.253%0.52840%0.401SS..Hα-helixtrans-57.6-50.7-178.6-173.8177.2-176.3-1280.6113.4Y137 L144 F145 L146Y137-R142 HydrophobicContact CD1-CB 4.49Å; Y137-R142 HydrophobicContact CE1-CB 4.24Å; Y137-R142 VanDerWaalsContact O-CB 3.25Å; Y137-R142 WeakPolarHBondContact O-CB 3.05Å; Y137-R142 PolarHBondContact O-N 3.05Å; R142-L144 VanDerWaalsContact C-N 3.33Å; R142-L144 PolarHBondContact O-N 3.01Å; R142-F145 PolarHBondContact O-N 2.88Å; R142-L146 HydrophobicContact CG-CD1 3.99Å; R142-L146 HydrophobicContact CG-CG 4.45Å; R142-L146 WeakPolarHBondContact O-CG 3.23Å; R142-L146 PolarHBondContact O-N 3.16Å
143P87.8Confident87.3Confident65 Ų6587.4 Ų87.442%0.42242%0.424SS..Hα-helixtrans-66.4-33.8178.323.6-32.5000112.9R139 V140 K147R139-P143 VanDerWaalsContact O-CG 3.31Å; R139-P143 WeakPolarHBondContact O-CG 3.1Å; V140-P143 WeakPolarHBondContact O-CD 3.47Å; V140-P143 WeakPolarHBondContact O-CG 3.43Å; P143-K147 VanDerWaalsContact O-CB 3.29Å; P143-K147 WeakPolarHBondContact O-CB 3.48Å; P143-K147 PolarHBondContact O-N 3.39Å
144L86.8Confident87.8Confident101 Ų10192 Ų9253%0.52945%0.448SS..Hα-helixtrans-69-39.4174.7-71175.6000112.2V140 I141 R142 N148V140-L144 HydrophobicContact CG1-CD1 3.87Å; V140-L144 WeakPolarHBondContact O-CB 3.41Å; V140-L144 WeakPolarHBondContact O-CD1 3.28Å; V140-L144 WeakPolarHBondContact O-CG 3.35Å; V140-L144 PolarHBondContact O-N 2.83Å; I141-L144 PolarHBondContact O-N 3.39Å; R142-L144 VanDerWaalsContact C-N 3.33Å; R142-L144 PolarHBondContact O-N 3.01Å; L144-N148 PolarHBondContact O-N 2.89Å; L144-N148 PolarHBondContact O-ND2 3.23Å
145F86.8Confident88.3Confident89 Ų8991.5 Ų91.539%0.3945%0.453SS..Hα-helixtrans-64-56.1176.8-176.8-95.2000110.4I141 R142 K147 N148 E149 I152I141-F145 WeakPolarHBondContact O-CB 3.48Å; I141-F145 PolarHBondContact O-N 3.48Å; R142-F145 PolarHBondContact O-N 2.88Å; F145-K147 PolarHBondContact O-N 2.94Å; F145-K147 VanDerWaalsContact O-N 3.15Å; F145-N148 CarbonylContact O-C 3.59Å; F145-N148 PolarHBondContact O-N 3.28Å; F145-E149 HydrophobicContact CE1-CB 4.23Å; F145-E149 HydrophobicContact CE1-CG 3.88Å; F145-E149 HydrophobicContact CZ-CG 4.09Å; F145-E149 WeakPolarHBondContact O-CA 3.43Å; F145-E149 WeakPolarHBondContact O-CB 3.47Å; F145-E149 PolarHBondContact O-N 3.25Å; F145-I152 HydrophobicContact CD2-CD1 4.42Å
146L88.6Confident88.6Confident97 Ų9792.3 Ų92.351%0.50846%0.46SS..Hα-helixtrans-59.6-32-178.5-67.6174000113.1R142 N148R142-L146 HydrophobicContact CG-CD1 3.99Å; R142-L146 HydrophobicContact CG-CG 4.45Å; R142-L146 WeakPolarHBondContact O-CG 3.23Å; R142-L146 PolarHBondContact O-N 3.16Å; L146-N148 VanDerWaalsContact C-N 3.31Å; L146-N148 PolarHBondContact O-N 3.12Å
147K90.4Very high88.8Confident170 Ų17096.6 Ų96.674%0.73948%0.478SS*.Hα-helixtrans-70.8-27176.4-173.7175.6-179.9-178.50113.1P143 F145P143-K147 VanDerWaalsContact O-CB 3.29Å; P143-K147 WeakPolarHBondContact O-CB 3.48Å; P143-K147 PolarHBondContact O-N 3.39Å; F145-K147 PolarHBondContact O-N 2.94Å; F145-K147 VanDerWaalsContact O-N 3.15Å
148N90.1Very high89.3Confident54 Ų5497.4 Ų97.429%0.28949%0.487SS..Hα-helixtrans-118.7-0.6-172.1-61.8-63.2000113.8L144 F145 L146 A150 K151 I152L144-N148 PolarHBondContact O-N 2.89Å; L144-N148 PolarHBondContact O-ND2 3.23Å; F145-N148 CarbonylContact O-C 3.59Å; F145-N148 PolarHBondContact O-N 3.28Å; L146-N148 VanDerWaalsContact C-N 3.31Å; L146-N148 PolarHBondContact O-N 3.12Å; N148-A150 PolarHBondContact O-N 2.85Å; N148-K151 WeakPolarHBondContact O-CA 3.48Å; N148-K151 WeakPolarHBondContact O-CB 3.34Å; N148-K151 PolarHBondContact O-N 3.18Å; N148-I152 HydrophobicContact CB-CD1 4.05Å; N148-I152 HydrophobicContact CB-CG1 4.34Å; N148-I152 WeakPolarHBondContact O-CG1 3.34Å; N148-I152 PolarHBondContact O-N 2.97Å
149E88.1Confident89.8Confident77 Ų7796.8 Ų96.836%0.3649%0.487SS..Hα-helixtrans-48.7-54.6-174.3-177.9173.2-167.200111.6F145 K151 I152 D153F145-E149 HydrophobicContact CE1-CB 4.23Å; F145-E149 HydrophobicContact CE1-CG 3.88Å; F145-E149 HydrophobicContact CZ-CG 4.09Å; F145-E149 WeakPolarHBondContact O-CA 3.43Å; F145-E149 WeakPolarHBondContact O-CB 3.47Å; F145-E149 PolarHBondContact O-N 3.25Å; E149-K151 VanDerWaalsContact C-N 3.29Å; E149-K151 PolarHBondContact O-N 3.46Å; E149-I152 PolarHBondContact O-N 2.92Å; E149-D153 PolarHBondContact O-N 3.33Å
150A88.4Confident90.1Very high69 Ų6994.9 Ų94.957%0.5748%0.484SS*.Hα-helixtrans-56.8-39.817800000113.4N148 D154N148-A150 PolarHBondContact O-N 2.85Å; A150-D154 WeakPolarHBondContact O-CB 3.36Å; A150-D154 VanDerWaalsContact O-CG 3.23Å; A150-D154 PolarHBondContact O-N 3.48Å
151K90.8Very high90.5Very high149 Ų14995 Ų9565%0.64848%0.482SS*.Hα-helixtrans-70.9-36.2178.6-63.4-178.2179.81780112.1N148 E149 A155N148-K151 WeakPolarHBondContact O-CA 3.48Å; N148-K151 WeakPolarHBondContact O-CB 3.34Å; N148-K151 PolarHBondContact O-N 3.18Å; E149-K151 VanDerWaalsContact C-N 3.29Å; E149-K151 PolarHBondContact O-N 3.46Å; K151-A155 WeakPolarHBondContact O-CB 3.32Å; K151-A155 PolarHBondContact O-N 2.92Å
152I88.4Confident90.9Very high73 Ų73101.1 Ų101.137%0.37451%0.508SS..Hα-helixtrans-68.4-46.1177.3-65.8167.4000108.9F145 N148 E149 D154 A155 V156F145-I152 HydrophobicContact CD2-CD1 4.42Å; N148-I152 HydrophobicContact CB-CD1 4.05Å; N148-I152 HydrophobicContact CB-CG1 4.34Å; N148-I152 WeakPolarHBondContact O-CG1 3.34Å; N148-I152 PolarHBondContact O-N 2.97Å; E149-I152 PolarHBondContact O-N 2.92Å; I152-D154 PolarHBondContact O-N 2.86Å; I152-A155 WeakPolarHBondContact O-CB 3.26Å; I152-A155 PolarHBondContact O-N 3.45Å; I152-V156 HydrophobicContact CG2-CG2 4.36Å; I152-V156 VanDerWaalsContact O-CG2 3.31Å; I152-V156 WeakPolarHBondContact O-CG2 3.31Å; I152-V156 PolarHBondContact O-N 3.37Å
153D91.2Very high91.3Very high88 Ų8897.3 Ų97.347%0.47151%0.506SS..Hα-helixtrans-61.8-43.5178.2-72.1-15.1000111.6E149 A155 V156 K157E149-D153 PolarHBondContact O-N 3.33Å; D153-A155 PolarHBondContact O-N 3.25Å; D153-V156 PolarHBondContact O-N 3.11Å; D153-K157 VanDerWaalsContact O-CB 3.32Å; D153-K157 WeakPolarHBondContact O-CB 3.36Å; D153-K157 PolarHBondContact O-N 3.47Å
154D93.4Very high91.7Very high98 Ų9897.2 Ų97.252%0.52451%0.507SS..Hα-helixtrans-61.8-43174.3-76.8-19.9000111.6A150 I152 K157 N158A150-D154 WeakPolarHBondContact O-CB 3.36Å; A150-D154 VanDerWaalsContact O-CG 3.23Å; A150-D154 PolarHBondContact O-N 3.48Å; I152-D154 PolarHBondContact O-N 2.86Å; D154-K157 PolarHBondContact O-N 2.67Å; D154-N158 WeakPolarHBondContact O-CB 3.46Å; D154-N158 PolarHBondContact O-N 2.95Å; D154-N158 PolarHBondContact O-ND2 3.33Å
155A92.6Very high92.1Very high46 Ų4697.3 Ų97.338%0.3850%0.504SS..Hα-helixtrans-62.8-4517600000112K151 I152 D153 N158 I159K151-A155 WeakPolarHBondContact O-CB 3.32Å; K151-A155 PolarHBondContact O-N 2.92Å; I152-A155 WeakPolarHBondContact O-CB 3.26Å; I152-A155 PolarHBondContact O-N 3.45Å; D153-A155 PolarHBondContact O-N 3.25Å; A155-N158 PolarHBondContact O-N 3.37Å; A155-I159 VanDerWaalsContact O-CG1 3.26Å; A155-I159 WeakPolarHBondContact O-CG1 3.46Å; A155-I159 PolarHBondContact O-N 2.98Å
156V92Very high92.6Very high88 Ų8895.1 Ų95.153%0.53350%0.503SS..Hα-helixtrans-62.7-44.3178.1170.80000110.7I152 D153 I159 K160I152-V156 HydrophobicContact CG2-CG2 4.36Å; I152-V156 VanDerWaalsContact O-CG2 3.31Å; I152-V156 WeakPolarHBondContact O-CG2 3.31Å; I152-V156 PolarHBondContact O-N 3.37Å; D153-V156 PolarHBondContact O-N 3.11Å; V156-I159 PolarHBondContact O-N 3.08Å; V156-K160 WeakPolarHBondContact O-CB 3.47Å; V156-K160 PolarHBondContact O-N 2.85Å
157K93.6Very high93Very high129 Ų12993.2 Ų93.256%0.56150%0.501SS*.Hα-helixtrans-61.4-47.9176.5-174.9-178.9175.8-172.90111.5D153 D154 I159 K160 D161D153-K157 VanDerWaalsContact O-CB 3.32Å; D153-K157 WeakPolarHBondContact O-CB 3.36Å; D153-K157 PolarHBondContact O-N 3.47Å; D154-K157 PolarHBondContact O-N 2.67Å; K157-I159 VanDerWaalsContact C-N 3.3Å; K157-I159 PolarHBondContact O-N 3.47Å; K157-K160 WeakPolarHBondContact O-CB 3.48Å; K157-K160 PolarHBondContact O-N 3.13Å; K157-K160 VanDerWaalsContact O-N 3.13Å; K157-D161 WeakPolarHBondContact O-CB 3.37Å; K157-D161 VanDerWaalsContact O-CG 3.24Å; K157-D161 PolarHBondContact O-N 2.95Å
158N95.3Very high93.3Very high93 Ų9388 Ų8850%0.49748%0.481SS..Hα-helixtrans-60.1-38.6177.8-75.1-40.1000112.6D154 A155 K162D154-N158 WeakPolarHBondContact O-CB 3.46Å; D154-N158 PolarHBondContact O-N 2.95Å; D154-N158 PolarHBondContact O-ND2 3.33Å; A155-N158 PolarHBondContact O-N 3.37Å; N158-K162 WeakPolarHBondContact O-CB 3.3Å; N158-K162 VanDerWaalsContact O-CG 3.3Å; N158-K162 WeakPolarHBondContact O-CG 3.41Å; N158-K162 PolarHBondContact O-N 3.34Å; N158-K162 VanDerWaalsContact O-N 3.08Å
159I94.5Very high93.6Very high117 Ų11790.8 Ų90.860%0.649%0.491SS*.Hα-helixtrans-65.7-45.1175.3-69.3165.1000110.4A155 V156 K157 K162 A163A155-I159 VanDerWaalsContact O-CG1 3.26Å; A155-I159 WeakPolarHBondContact O-CG1 3.46Å; A155-I159 PolarHBondContact O-N 2.98Å; V156-I159 PolarHBondContact O-N 3.08Å; K157-I159 VanDerWaalsContact C-N 3.3Å; K157-I159 PolarHBondContact O-N 3.47Å; I159-K162 PolarHBondContact O-N 3.45Å; I159-A163 VanDerWaalsContact O-CB 3.3Å; I159-A163 WeakPolarHBondContact O-CB 3.3Å; I159-A163 PolarHBondContact O-N 3.28Å
160K94.1Very high93.9Very high151 Ų15194.1 Ų94.166%0.65751%0.505SS*.Hα-helixtrans-61-46.2178-176.9-177.6178.1-1770111.8V156 K157 A163 S164V156-K160 WeakPolarHBondContact O-CB 3.47Å; V156-K160 PolarHBondContact O-N 2.85Å; K157-K160 WeakPolarHBondContact O-CB 3.48Å; K157-K160 PolarHBondContact O-N 3.13Å; K157-K160 VanDerWaalsContact O-N 3.13Å; K160-A163 PolarHBondContact O-N 3.45Å; K160-S164 PolarHBondContact O-N 2.88Å
161D95.4Very high94.3Very high80 Ų8096.8 Ų96.843%0.42850%0.5SS..Hα-helixtrans-64-45.4-178.7-67.5-14.8000110.4K157 A163 S164 E165K157-D161 WeakPolarHBondContact O-CB 3.37Å; K157-D161 VanDerWaalsContact O-CG 3.24Å; K157-D161 PolarHBondContact O-N 2.95Å; D161-A163 PolarHBondContact O-N 2.7Å; D161-S164 PolarHBondContact O-N 3.33Å; D161-E165 WeakPolarHBondContact O-CB 3.45Å; D161-E165 PolarHBondContact O-N 3.01Å
162K95.3Very high94.5Very high150 Ų15093.2 Ų93.265%0.65249%0.488SS*.Hα-helixtrans-62.7-39.8174.5-74.9-179.6178.6-175.70113N158 I159 E165 A166N158-K162 WeakPolarHBondContact O-CB 3.3Å; N158-K162 VanDerWaalsContact O-CG 3.3Å; N158-K162 WeakPolarHBondContact O-CG 3.41Å; N158-K162 PolarHBondContact O-N 3.34Å; N158-K162 VanDerWaalsContact O-N 3.08Å; I159-K162 PolarHBondContact O-N 3.45Å; K162-E165 PolarHBondContact O-N 2.96Å; K162-A166 WeakPolarHBondContact O-CB 3.4Å; K162-A166 PolarHBondContact O-N 2.91Å
163A94.5Very high94.9Very high59 Ų5995.9 Ų95.949%0.48850%0.499SS..Hα-helixtrans-65.5-41.6177.500000111.6I159 K160 D161 A166 A167I159-A163 VanDerWaalsContact O-CB 3.3Å; I159-A163 WeakPolarHBondContact O-CB 3.3Å; I159-A163 PolarHBondContact O-N 3.28Å; K160-A163 PolarHBondContact O-N 3.45Å; D161-A163 PolarHBondContact O-N 2.7Å; A163-A166 PolarHBondContact O-N 2.92Å; A163-A167 WeakPolarHBondContact O-CB 3.39Å; A163-A167 PolarHBondContact O-N 3.32Å
164S95.4Very high95Very high64 Ų6494.2 Ų94.245%0.44850%0.497SS..Hα-helixtrans-63.8-45.5174.6-165.90000111.4K160 D161 A166 A167 D168K160-S164 PolarHBondContact O-N 2.88Å; D161-S164 PolarHBondContact O-N 3.33Å; S164-A166 VanDerWaalsContact C-N 3.32Å; S164-A166 PolarHBondContact O-N 3.18Å; S164-A167 PolarHBondContact O-N 3.42Å; S164-D168 PolarHBondContact O-N 2.92Å
165E96.2Very high95.1Very high102 Ų10295.7 Ų95.748%0.47750%0.499SS..Hα-helixtrans-62.8-40.1179.6-163.3-168.6161.900111.8D161 K162 K169D161-E165 WeakPolarHBondContact O-CB 3.45Å; D161-E165 PolarHBondContact O-N 3.01Å; K162-E165 PolarHBondContact O-N 2.96Å; E165-K169 WeakPolarHBondContact O-CG 3.44Å; E165-K169 PolarHBondContact O-N 3.49Å; E165-K169 WeakPolarHBondContact OE1-CE 3.11Å; E165-K169 IonicContact OE1-NZ 2.7Å; E165-K169 PolarHBondContact OE1-NZ 3.24Å
166A96.2Very high95.3Very high43 Ų43100.3 Ų100.336%0.35551%0.51SS..Hα-helixtrans-62.6-46.5173.500000111.3K162 A163 S164 D168 K169 F170K162-A166 WeakPolarHBondContact O-CB 3.4Å; K162-A166 PolarHBondContact O-N 2.91Å; A163-A166 PolarHBondContact O-N 2.92Å; S164-A166 VanDerWaalsContact C-N 3.32Å; S164-A166 PolarHBondContact O-N 3.18Å; A166-D168 PolarHBondContact O-N 2.98Å; A166-K169 PolarHBondContact O-N 3.31Å; A166-F170 WeakPolarHBondContact O-CD2 3.38Å; A166-F170 PolarHBondContact O-N 3.46Å
167A96.3Very high95.4Very high57 Ų5798.5 Ų98.547%0.47150%0.504SS..Hα-helixtrans-61.6-41.3178.400000112.6A163 S164 F170 R171A163-A167 WeakPolarHBondContact O-CB 3.39Å; A163-A167 PolarHBondContact O-N 3.32Å; S164-A167 PolarHBondContact O-N 3.42Å; A167-F170 PolarHBondContact O-N 2.98Å; A167-R171 WeakPolarHBondContact O-CB 3.27Å; A167-R171 PolarHBondContact O-N 3.03Å
168D96.6Very high95.3Very high60 Ų6096.1 Ų96.132%0.32150%0.501SS..Hα-helixtrans-65.7-42.5176.6-76.9-43.3000111.6S164 A166 F170 R171 D172S164-D168 PolarHBondContact O-N 2.92Å; A166-D168 PolarHBondContact O-N 2.98Å; D168-F170 PolarHBondContact O-N 2.91Å; D168-R171 PolarHBondContact O-N 2.75Å; D168-R171 IonicContact OD1-CZ 3.17Å; D168-R171 IonicContact OD1-NH1 3.16Å; D168-R171 PolarHBondContact OD1-NH1 3.5Å; D168-R171 VanDerWaalsContact OD1-NH1 3.16Å; D168-R171 IonicContact OD1-NH2 2.75Å; D168-R171 PolarHBondContact OD1-NH2 3.45Å; D168-D172 WeakPolarHBondContact O-CB 3.5Å; D168-D172 PolarHBondContact O-N 3.16Å
169K96.4Very high95.2Very high114 Ų11493.5 Ų93.550%0.49649%0.492SS..Hα-helixtrans-59.5-46.8174.2-77.3172.2-176.1162.30112.1E165 A166 R171 D172 E173E165-K169 WeakPolarHBondContact O-CG 3.44Å; E165-K169 PolarHBondContact O-N 3.49Å; E165-K169 WeakPolarHBondContact OE1-CE 3.11Å; E165-K169 IonicContact OE1-NZ 2.7Å; E165-K169 PolarHBondContact OE1-NZ 3.24Å; A166-K169 PolarHBondContact O-N 3.31Å; K169-R171 VanDerWaalsContact C-N 3.33Å; K169-R171 PolarHBondContact O-N 2.9Å; K169-D172 PolarHBondContact O-N 2.93Å; K169-E173 PolarHBondContact O-N 3.43Å
170F95.6Very high95.1Very high147 Ų14792.8 Ų92.865%0.64549%0.49SS*.Hα-helixtrans-60.4-42.1175.9-82.5-65.1000112.1A166 A167 D168 D172 A174A166-F170 WeakPolarHBondContact O-CD2 3.38Å; A166-F170 PolarHBondContact O-N 3.46Å; A167-F170 PolarHBondContact O-N 2.98Å; D168-F170 PolarHBondContact O-N 2.91Å; F170-D172 VanDerWaalsContact C-N 3.33Å; F170-D172 PolarHBondContact O-N 3.5Å; F170-A174 VanDerWaalsContact O-CB 3.27Å; F170-A174 WeakPolarHBondContact O-CB 3.48Å; F170-A174 PolarHBondContact O-N 3.48Å
171R96.3Very high94.9Very high125 Ų12591 Ų9147%0.47249%0.486SS..Hα-helixtrans-62.7-42177.1-173.6-175.768.2-147-10.9111.6A167 D168 K169 A174 K175A167-R171 WeakPolarHBondContact O-CB 3.27Å; A167-R171 PolarHBondContact O-N 3.03Å; D168-R171 PolarHBondContact O-N 2.75Å; D168-R171 IonicContact OD1-CZ 3.17Å; D168-R171 IonicContact OD1-NH1 3.16Å; D168-R171 PolarHBondContact OD1-NH1 3.5Å; D168-R171 VanDerWaalsContact OD1-NH1 3.16Å; D168-R171 IonicContact OD1-NH2 2.75Å; D168-R171 PolarHBondContact OD1-NH2 3.45Å; K169-R171 VanDerWaalsContact C-N 3.33Å; K169-R171 PolarHBondContact O-N 2.9Å; R171-A174 PolarHBondContact O-N 3.25Å; R171-K175 WeakPolarHBondContact O-CG 3.5Å; R171-K175 PolarHBondContact O-N 3.01Å
172D95.9Very high94.7Very high74 Ų7491.6 Ų91.640%0.39649%0.489SS..Hα-helixtrans-73-37.7-178-70.8-9.5000112D168 K169 F170 K175 K176D168-D172 WeakPolarHBondContact O-CB 3.5Å; D168-D172 PolarHBondContact O-N 3.16Å; K169-D172 PolarHBondContact O-N 2.93Å; F170-D172 VanDerWaalsContact C-N 3.33Å; F170-D172 PolarHBondContact O-N 3.5Å; D172-K175 PolarHBondContact O-N 3.41Å; D172-K176 WeakPolarHBondContact O-CB 3.36Å; D172-K176 VanDerWaalsContact O-CG 3.31Å; D172-K176 WeakPolarHBondContact O-CG 3.42Å; D172-K176 PolarHBondContact O-N 3.5Å
173E95.8Very high94.2Very high129 Ų12991.8 Ų91.860%0.60349%0.49SS*.Hα-helixtrans-64-43.9170.7-76.9-175.7-177.200111.9K169 K175 K176 A177K169-E173 PolarHBondContact O-N 3.43Å; E173-K175 PolarHBondContact O-N 3.22Å; E173-K176 PolarHBondContact O-N 2.96Å; E173-A177 WeakPolarHBondContact O-CB 3.46Å; E173-A177 PolarHBondContact O-N 2.91Å
174A94.3Very high93.7Very high53 Ų5395 Ų9544%0.43850%0.495SS..Hα-helixtrans-60.1-46.2175.900000111.5F170 R171 K176 A177 T178F170-A174 VanDerWaalsContact O-CB 3.27Å; F170-A174 WeakPolarHBondContact O-CB 3.48Å; F170-A174 PolarHBondContact O-N 3.48Å; R171-A174 PolarHBondContact O-N 3.25Å; A174-K176 VanDerWaalsContact C-N 3.33Å; A174-K176 PolarHBondContact O-N 3.47Å; A174-A177 PolarHBondContact O-N 3.37Å; A174-T178 WeakPolarHBondContact O-CB 3.31Å; A174-T178 PolarHBondContact O-N 2.89Å; A174-T178 PolarHBondContact O-OG1 2.98Å
175K95.9Very high92.8Very high129 Ų12998 Ų9856%0.56150%0.502SS*.Hα-helixtrans-59-42.6175.1-77.9177.8-179.7178.70112.3R171 D172 E173 A179R171-K175 WeakPolarHBondContact O-CG 3.5Å; R171-K175 PolarHBondContact O-N 3.01Å; D172-K175 PolarHBondContact O-N 3.41Å; E173-K175 PolarHBondContact O-N 3.22Å; K175-A179 VanDerWaalsContact O-CB 3.3Å; K175-A179 WeakPolarHBondContact O-CB 3.34Å; K175-A179 PolarHBondContact O-N 3.3Å
176K95.2Very high91.7Very high142 Ų142101.2 Ų101.262%0.61751%0.514SS*.Hα-helixtrans-65.5-44.8177.5-75.6173.6-177.4175.80111.8D172 E173 A174 A179 N180D172-K176 WeakPolarHBondContact O-CB 3.36Å; D172-K176 VanDerWaalsContact O-CG 3.31Å; D172-K176 WeakPolarHBondContact O-CG 3.42Å; D172-K176 PolarHBondContact O-N 3.5Å; E173-K176 PolarHBondContact O-N 2.96Å; A174-K176 VanDerWaalsContact C-N 3.33Å; A174-K176 PolarHBondContact O-N 3.47Å; K176-A179 PolarHBondContact O-N 3.32Å; K176-N180 WeakPolarHBondContact O-CB 3.45Å; K176-N180 VanDerWaalsContact O-CG 3.23Å; K176-N180 PolarHBondContact O-N 2.85Å
177A94Very high90.5Very high50 Ų50107.8 Ų107.841%0.41354%0.535SS..Hα-helixtrans-62.8-46177.500000111.5E173 A174 A179 N180 L181E173-A177 WeakPolarHBondContact O-CB 3.46Å; E173-A177 PolarHBondContact O-N 2.91Å; A174-A177 PolarHBondContact O-N 3.37Å; A177-A179 PolarHBondContact O-N 2.93Å; A177-N180 PolarHBondContact O-N 3.49Å; A177-L181 WeakPolarHBondContact O-CG 3.29Å; A177-L181 PolarHBondContact O-N 2.99Å
178T92.9Very high88.9Confident79 Ų79111.9 Ų111.949%0.48555%0.549SS..Hα-helixtrans-62.3-42.9175.7-56.10000111.9A174 L181 I182A174-T178 WeakPolarHBondContact O-CB 3.31Å; A174-T178 PolarHBondContact O-N 2.89Å; A174-T178 PolarHBondContact O-OG1 2.98Å; T178-L181 PolarHBondContact O-N 3.28Å; T178-I182 HydrophobicContact CG2-CD1 3.92Å; T178-I182 VanDerWaalsContact O-CG1 3.29Å; T178-I182 WeakPolarHBondContact O-CG1 3.48Å; T178-I182 PolarHBondContact O-N 2.99Å
179A92.4Very high86.9Confident38 Ų38120 Ų12031%0.31458%0.581SS.*Hα-helixtrans-60.1-47.7175.300000111.2K175 K176 A177 L181 I182 F183K175-A179 VanDerWaalsContact O-CB 3.3Å; K175-A179 WeakPolarHBondContact O-CB 3.34Å; K175-A179 PolarHBondContact O-N 3.3Å; K176-A179 PolarHBondContact O-N 3.32Å; A177-A179 PolarHBondContact O-N 2.93Å; A179-L181 VanDerWaalsContact C-N 3.34Å; A179-L181 PolarHBondContact O-N 3.4Å; A179-I182 PolarHBondContact O-N 3.23Å; A179-F183 WeakPolarHBondContact O-CD2 3.18Å; A179-F183 PolarHBondContact O-N 2.92Å
180N92.6Very high86.4Confident103 Ų103120.3 Ų120.355%0.55159%0.586SS**Hα-helixtrans-59.2-43178.7-72.1-10.3000112.3K176 A177 F183 E184K176-N180 WeakPolarHBondContact O-CB 3.45Å; K176-N180 VanDerWaalsContact O-CG 3.23Å; K176-N180 PolarHBondContact O-N 2.85Å; A177-N180 PolarHBondContact O-N 3.49Å; N180-F183 PolarHBondContact O-N 3.4Å; N180-E184 PolarHBondContact O-N 2.91Å
181L90.7Very high85.9Confident112 Ų112118.8 Ų118.859%0.58658%0.583SS**Hα-helixtrans-61.8-44.3176.2-70.8169.3000112.2A177 T178 A179 F183 E184 E185A177-L181 WeakPolarHBondContact O-CG 3.29Å; A177-L181 PolarHBondContact O-N 2.99Å; T178-L181 PolarHBondContact O-N 3.28Å; A179-L181 VanDerWaalsContact C-N 3.34Å; A179-L181 PolarHBondContact O-N 3.4Å; L181-F183 VanDerWaalsContact C-N 3.32Å; L181-F183 PolarHBondContact O-N 3.06Å; L181-E184 PolarHBondContact O-N 3.36Å; L181-E185 WeakPolarHBondContact O-CB 3.3Å; L181-E185 PolarHBondContact O-N 3.45Å
182I89.6Confident85.3Confident94 Ų94118.5 Ų118.548%0.48259%0.589SS.*Hα-helixtrans-63.9-38.1177-66.9166.6000111.2T178 A179 K186T178-I182 HydrophobicContact CG2-CD1 3.92Å; T178-I182 VanDerWaalsContact O-CG1 3.29Å; T178-I182 WeakPolarHBondContact O-CG1 3.48Å; T178-I182 PolarHBondContact O-N 2.99Å; A179-I182 PolarHBondContact O-N 3.23Å; I182-K186 PolarHBondContact O-N 3.27Å; I182-K186 VanDerWaalsContact O-N 3.14Å
183F86.6Confident84.7Confident153 Ų153121.1 Ų121.167%0.67160%0.6SS**Hα-helixtrans-68.9-40.4176.7-87.7-73.9000112.6A179 N180 L181 K186 K187A179-F183 WeakPolarHBondContact O-CD2 3.18Å; A179-F183 PolarHBondContact O-N 2.92Å; N180-F183 PolarHBondContact O-N 3.4Å; L181-F183 VanDerWaalsContact C-N 3.32Å; L181-F183 PolarHBondContact O-N 3.06Å; F183-K186 PolarHBondContact O-N 3.47Å; F183-K187 PolarHBondContact O-N 3.14Å
184E82.6Confident84Confident127 Ų127120.6 Ų120.659%0.59360%0.6SS**Hα-helixtrans-64.4-42.8174.9-79.1-172.4160.800111.9N180 L181 K186 K187 N188N180-E184 PolarHBondContact O-N 2.91Å; L181-E184 PolarHBondContact O-N 3.36Å; E184-K186 VanDerWaalsContact C-N 3.34Å; E184-K186 PolarHBondContact O-N 3.33Å; E184-K187 PolarHBondContact O-N 3.45Å; E184-N188 PolarHBondContact O-N 3.18Å
185E77Confident83.4Confident127 Ų127125.1 Ų125.159%0.59361%0.611SS**Hα-helixtrans-60.4-44.1176.8-166176.2-169.600111.2L181 K187 N188 F189L181-E185 WeakPolarHBondContact O-CB 3.3Å; L181-E185 PolarHBondContact O-N 3.45Å; E185-K187 VanDerWaalsContact C-N 3.26Å; E185-K187 PolarHBondContact O-N 3.26Å; E185-N188 PolarHBondContact O-N 3.44Å; E185-F189 HydrophobicContact CG-CE2 4.21Å; E185-F189 VanDerWaalsContact O-CD2 3.32Å; E185-F189 WeakPolarHBondContact O-CD2 3.32Å
186K72.9Confident82.5Confident169 Ų169124.9 Ų124.974%0.73561%0.614SS**Hα-helixtrans-65.6-21.1177.2-107.1-170.3178-173.80115.3I182 F183 E184I182-K186 PolarHBondContact O-N 3.27Å; I182-K186 VanDerWaalsContact O-N 3.14Å; F183-K186 PolarHBondContact O-N 3.47Å; E184-K186 VanDerWaalsContact C-N 3.34Å; E184-K186 PolarHBondContact O-N 3.33Å
187K71.8Confident81.5Confident181 Ų181123.5 Ų123.579%0.78761%0.614SS**Hα-helixtrans-88.4-15.4-178.1-162.9177.7178.3-175.80112.6F183 E184 E185F183-K187 PolarHBondContact O-N 3.14Å; E184-K187 PolarHBondContact O-N 3.45Å; E185-K187 VanDerWaalsContact C-N 3.26Å; E185-K187 PolarHBondContact O-N 3.26Å
188N62.9Low80.4Confident143 Ų143129.7 Ų129.777%0.76563%0.631SS**  trans-97.53.5-178.2-71.9-20.6000113.9E184 E185E184-N188 PolarHBondContact O-N 3.18Å; E185-N188 PolarHBondContact O-N 3.44Å
189F53.2Low79.3Confident230 Ų230134.3 Ų134.3100%1.00964%0.644SS**  trans-109.50168.8-73.8-82.7000110.2E185E185-F189 HydrophobicContact CG-CE2 4.21Å; E185-F189 VanDerWaalsContact O-CD2 3.32Å; E185-F189 WeakPolarHBondContact O-CD2 3.32Å

Retrieved 189 of 189 residues in 122.6 ms (Link to these results)

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