A0A3B3U453_9TELE Loading...

NF-kappa-B inhibitor-like protein 1

AlphaFold DB , UniProt , Accession A0A3B3U453, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 358 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.9Low80.2Confident246 Ų24689.7 Ų89.7100%1.21242%0.416SS*.  0134.80-74.9175.9175.200107.6
2V71.3Confident80.8Confident35 Ų3586.3 Ų86.321%0.21240%0.398CS..  trans-80.1132.5-178.6176.30000109.3Q6 F35 S36 Q37V2-Q6 HydrophobicContact CG1-CB 3.24Å; V2-Q6 HydrophobicContact CG1-CG 4.36Å; V2-F35 HydrophobicContact CG1-CD2 3.68Å; V2-F35 HydrophobicContact CG1-CE2 3.91Å; V2-F35 HydrophobicContact CG1-CG 4.35Å; V2-F35 HydrophobicContact CG2-CD2 4.08Å; V2-S36 WeakPolarHBondContact CG2-O 3.35Å; V2-Q37 HydrophobicContact CG2-CB 4.37Å
3S82.1Confident81.4Confident58 Ų5879.8 Ų79.841%0.40637%0.367SS..  trans-61153.3-179.9170.80000111.5R5 Q6 A7S3-R5 PolarHBondContact O-N 3.15Å; S3-R5 VanDerWaalsContact O-N 3.1Å; S3-R5 PolarHBondContact OG-N 3.21Å; S3-Q6 PolarHBondContact O-N 2.72Å; S3-A7 PolarHBondContact O-N 2.98Å
4H76.1Confident81.7Confident131 Ų13182.3 Ų82.361%0.60638%0.38SS*.Hα-helixtrans-54.7-32.3175.2-170.773.5000112.5R8H4-R8 PolarHBondContact NE2-NE 3.41Å; H4-R8 PolarHBondContact NE2-NH2 3.19Å; H4-R8 WeakPolarHBondContact O-CG 3.36Å; H4-R8 PolarHBondContact O-N 3.14Å
5R81.8Confident81.8Confident137 Ų13783.9 Ų83.952%0.51739%0.392SS..Hα-helixtrans-70.9-42176.1-61.5-176.7-174.7175.71.2112.2S3 R8 V9 L31S3-R5 PolarHBondContact O-N 3.15Å; S3-R5 VanDerWaalsContact O-N 3.1Å; S3-R5 PolarHBondContact OG-N 3.21Å; R5-R8 PolarHBondContact O-N 3.08Å; R5-V9 PolarHBondContact O-N 3.32Å; R5-L31 HydrophobicContact CB-CD1 3.79Å
6Q85.1Confident82Confident33 Ų3380.8 Ų80.815%0.15439%0.39CS..Hα-helixtrans-68.6-36.7175.8-69.2171.4-34.300111.6V2 S3 R8 V9 W10 L31 F35V2-Q6 HydrophobicContact CG1-CB 3.24Å; V2-Q6 HydrophobicContact CG1-CG 4.36Å; S3-Q6 PolarHBondContact O-N 2.72Å; Q6-R8 VanDerWaalsContact C-N 3.26Å; Q6-R8 PolarHBondContact O-N 3.14Å; Q6-V9 WeakPolarHBondContact O-CB 3.39Å; Q6-V9 PolarHBondContact O-N 2.66Å; Q6-W10 PolarHBondContact O-N 2.85Å; Q6-L31 HydrophobicContact CG-CD1 4.03Å; Q6-F35 HydrophobicContact CB-CD1 3.8Å; Q6-F35 HydrophobicContact CB-CD2 4.12Å; Q6-F35 HydrophobicContact CB-CE1 3.7Å; Q6-F35 HydrophobicContact CB-CE2 4.02Å; Q6-F35 HydrophobicContact CB-CG 4.01Å; Q6-F35 HydrophobicContact CB-CZ 3.81Å; Q6-F35 HydrophobicContact CG-CD1 3.65Å; Q6-F35 HydrophobicContact CG-CE1 3.88Å; Q6-F35 HydrophobicContact CG-CG 4.09Å; Q6-F35 HydrophobicContact CG-CZ 4.49Å; Q6-F35 WeakPolarHBondContact O-CZ 3.29Å
7A84.5Confident82.2Confident36 Ų3678.9 Ų78.930%0.29838%0.382SS..Hα-helixtrans-62.7-32.5173.600000112.5S3 R11S3-A7 PolarHBondContact O-N 2.98Å; A7-R11 PolarHBondContact O-N 3.09Å; A7-R11 VanDerWaalsContact O-N 3.11Å
8R84.6Confident82.6Confident114 Ų11477.8 Ų77.843%0.4338%0.378SS..Hα-helixtrans-69.6-43.2172.1-73.6-177.1-170.6-155.63.8112.3H4 R5 Q6 W10 R11 Y12 Y24H4-R8 PolarHBondContact NE2-NE 3.41Å; H4-R8 PolarHBondContact NE2-NH2 3.19Å; H4-R8 WeakPolarHBondContact O-CG 3.36Å; H4-R8 PolarHBondContact O-N 3.14Å; R5-R8 PolarHBondContact O-N 3.08Å; Q6-R8 VanDerWaalsContact C-N 3.26Å; Q6-R8 PolarHBondContact O-N 3.14Å; R8-W10 VanDerWaalsContact C-N 3.29Å; R8-W10 PolarHBondContact O-N 2.76Å; R8-R11 PolarHBondContact O-N 3.06Å; R8-Y12 HydrophobicContact CB-CE2 4.24Å; R8-Y12 VanDerWaalsContact O-CD2 3.24Å; R8-Y12 WeakPolarHBondContact O-CD2 3.34Å; R8-Y12 PolarHBondContact O-N 3.27Å; R8-Y24 HydrophobicContact CB-CE1 4.2Å
9V86.7Confident82.8Confident0 Ų080.9 Ų80.90%040%0.396CS..Hα-helixtrans-56.9-46.5172.6168.50000110.4R5 Q6 R11 Y12 V13 L21 Y24 L25 L31 F35R5-V9 PolarHBondContact O-N 3.32Å; Q6-V9 WeakPolarHBondContact O-CB 3.39Å; Q6-V9 PolarHBondContact O-N 2.66Å; V9-R11 VanDerWaalsContact C-N 3.35Å; V9-R11 PolarHBondContact O-N 2.88Å; V9-Y12 PolarHBondContact O-N 3.05Å; V9-Y12 VanDerWaalsContact O-N 3.13Å; V9-V13 HydrophobicContact CG1-CG2 4.39Å; V9-V13 WeakPolarHBondContact O-CG2 3.22Å; V9-V13 PolarHBondContact O-N 2.75Å; V9-L21 HydrophobicContact CB-CD1 4.5Å; V9-L21 HydrophobicContact CG1-CD1 3.94Å; V9-L21 HydrophobicContact CG2-CD1 4.41Å; V9-Y24 HydrophobicContact CG2-CD1 3.86Å; V9-Y24 HydrophobicContact CG2-CE1 3.96Å; V9-L25 HydrophobicContact CG2-CD2 4.1Å; V9-L31 HydrophobicContact CG2-CD2 3.41Å; V9-L31 VanDerWaalsContact CG2-CD2 3.41Å; V9-F35 HydrophobicContact CB-CE1 4.33Å; V9-F35 HydrophobicContact CB-CZ 4.13Å; V9-F35 HydrophobicContact CG1-CE1 4.12Å; V9-F35 HydrophobicContact CG1-CZ 4.04Å
10W87Confident83Confident31 Ų3182.9 Ų82.912%0.11740%0.402CS..Hα-helixtrans-55.6-48.4177.2-171.7-89.1000112.3Q6 R8 Y12 V13 E14 F35 Q37 R42 P44 L47Q6-W10 PolarHBondContact O-N 2.85Å; R8-W10 VanDerWaalsContact C-N 3.29Å; R8-W10 PolarHBondContact O-N 2.76Å; W10-Y12 VanDerWaalsContact C-N 3.34Å; W10-Y12 PolarHBondContact O-N 3.36Å; W10-V13 PolarHBondContact O-N 3.47Å; W10-E14 WeakPolarHBondContact O-CB 3.38Å; W10-E14 PolarHBondContact O-N 3.11Å; W10-F35 HydrophobicContact CB-CE2 4.15Å; W10-F35 HydrophobicContact CB-CZ 4.35Å; W10-F35 AromaticContact CE3-CE2 3.77Å; W10-F35 HydrophobicContact CE3-CE2 3.77Å; W10-F35 HydrophobicContact CE3-CZ 4.43Å; W10-Q37 HydrophobicContact CD2-CB 3.58Å; W10-Q37 HydrophobicContact CD2-CG 3.65Å; W10-Q37 HydrophobicContact CE3-CB 3.49Å; W10-Q37 VanDerWaalsContact CE3-CB 3.49Å; W10-Q37 HydrophobicContact CE3-CG 4.11Å; W10-Q37 HydrophobicContact CG-CB 4.29Å; W10-Q37 HydrophobicContact CG-CG 3.9Å; W10-Q37 HydrophobicContact CH2-CB 3.75Å; W10-Q37 WeakPolarHBondContact CH2-O 3.35Å; W10-Q37 HydrophobicContact CZ2-CB 3.86Å; W10-Q37 HydrophobicContact CZ2-CG 4.16Å; W10-Q37 HydrophobicContact CZ3-CB 3.58Å; W10-R42 HydrophobicContact CH2-CB 4.18Å; W10-R42 VanDerWaalsContact CH2-O 3.28Å; W10-R42 WeakPolarHBondContact CH2-O 3.43Å; W10-R42 WeakPolarHBondContact CZ3-O 2.99Å; W10-P44 HydrophobicContact CE3-CG 4.22Å; W10-P44 HydrophobicContact CZ3-CG 4.43Å; W10-L47 HydrophobicContact CD2-CD2 3.99Å; W10-L47 HydrophobicContact CE3-CD2 4.23Å; W10-L47 HydrophobicContact CH2-CB 4.2Å; W10-L47 HydrophobicContact CH2-CD2 4.04Å; W10-L47 HydrophobicContact CZ2-CD1 4.45Å; W10-L47 HydrophobicContact CZ2-CD2 3.75Å; W10-L47 HydrophobicContact CZ3-CB 4.41Å; W10-L47 HydrophobicContact CZ3-CD2 4.26Å
11R85.8Confident83.3Confident166 Ų16679 Ų7963%0.62638%0.383SS*.Hα-helixtrans-61.4-41177-177.3-176.4-88.3-180-7.6111.9A7 R8 V9 V13 E14 D15A7-R11 PolarHBondContact O-N 3.09Å; A7-R11 VanDerWaalsContact O-N 3.11Å; R8-R11 PolarHBondContact O-N 3.06Å; V9-R11 VanDerWaalsContact C-N 3.35Å; V9-R11 PolarHBondContact O-N 2.88Å; R11-V13 VanDerWaalsContact C-N 3.3Å; R11-V13 PolarHBondContact O-N 2.91Å; R11-E14 PolarHBondContact O-N 2.93Å; R11-D15 WeakPolarHBondContact CG-OD2 3.43Å; R11-D15 WeakPolarHBondContact O-CB 3.38Å; R11-D15 PolarHBondContact O-N 2.86Å
12Y87.9Confident84.8Confident49 Ų4973.3 Ų73.319%0.19235%0.352CS..Hα-helixtrans-67.2-31.2178.7-61.9-35.9000113.5R8 V9 W10 G16 N17 K20 Y24R8-Y12 HydrophobicContact CB-CE2 4.24Å; R8-Y12 VanDerWaalsContact O-CD2 3.24Å; R8-Y12 WeakPolarHBondContact O-CD2 3.34Å; R8-Y12 PolarHBondContact O-N 3.27Å; V9-Y12 PolarHBondContact O-N 3.05Å; V9-Y12 VanDerWaalsContact O-N 3.13Å; W10-Y12 VanDerWaalsContact C-N 3.34Å; W10-Y12 PolarHBondContact O-N 3.36Å; Y12-G16 PolarHBondContact O-N 2.79Å; Y12-N17 PolarHBondContact O-N 2.93Å; Y12-K20 HydrophobicContact CD1-CB 4.22Å; Y12-K20 HydrophobicContact CE1-CB 4.33Å; Y12-K20 HydrophobicContact CE1-CD 4.38Å; Y12-K20 HydrophobicContact CG-CB 4.48Å; Y12-Y24 HydrophobicContact CD2-CD1 4.42Å; Y12-Y24 HydrophobicContact CD2-CG 4.36Å; Y12-Y24 HydrophobicContact CE2-CD1 4.08Å; Y12-Y24 HydrophobicContact CE2-CD2 4.09Å; Y12-Y24 AromaticContact CE2-CG 3.76Å; Y12-Y24 HydrophobicContact CE2-CG 3.76Å
13V88.1Confident85.6Confident1 Ų173.8 Ų73.81%0.00636%0.357CS..Hα-helixtrans-73.4-42.7173.1176.30000110.6V9 W10 R11 D15 G16 L21 P44 L47 A48 L51 V56 L60V9-V13 HydrophobicContact CG1-CG2 4.39Å; V9-V13 WeakPolarHBondContact O-CG2 3.22Å; V9-V13 PolarHBondContact O-N 2.75Å; W10-V13 PolarHBondContact O-N 3.47Å; R11-V13 VanDerWaalsContact C-N 3.3Å; R11-V13 PolarHBondContact O-N 2.91Å; V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 3.22Å; V13-G16 PolarHBondContact O-N 3.26Å; V13-G16 VanDerWaalsContact O-N 3.16Å; V13-L21 HydrophobicContact CG2-CD1 4.39Å; V13-L21 HydrophobicContact CG2-CD2 3.83Å; V13-P44 HydrophobicContact CG2-CB 4.4Å; V13-L47 HydrophobicContact CB-CD2 4.24Å; V13-L47 HydrophobicContact CG1-CB 4.18Å; V13-L47 HydrophobicContact CG1-CD2 3.79Å; V13-L47 HydrophobicContact CG1-CG 3.99Å; V13-A48 HydrophobicContact CG1-CB 4.2Å; V13-L51 WeakPolarHBondContact O-CD1 3.43Å; V13-V56 HydrophobicContact CB-CG1 4.41Å; V13-V56 HydrophobicContact CG1-CG1 4.05Å; V13-V56 HydrophobicContact CG2-CG1 3.99Å; V13-L60 HydrophobicContact CG2-CD1 4.19Å
14E85.6Confident85.7Confident115 Ų11572.1 Ų72.154%0.53734%0.342SS..Hα-helixtrans-61.5-37.8175.7-172.2174.2-152.300112.4W10 R11 G16 L47W10-E14 WeakPolarHBondContact O-CB 3.38Å; W10-E14 PolarHBondContact O-N 3.11Å; R11-E14 PolarHBondContact O-N 2.93Å; E14-G16 VanDerWaalsContact C-N 3.31Å; E14-L47 HydrophobicContact CB-CD2 4.29Å
15D83.9Confident86.2Confident107 Ų10766 Ų6657%0.57231%0.313SS*.THydrogen-bonded Turntrans-80.6-5.3177.6-65.6-20.4000113.4R11 V13 N17R11-D15 WeakPolarHBondContact CG-OD2 3.43Å; R11-D15 WeakPolarHBondContact O-CB 3.38Å; R11-D15 PolarHBondContact O-N 2.86Å; V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 3.22Å; D15-N17 PolarHBondContact O-N 3.05Å
16G85Confident86.5Confident34 Ų3468.3 Ų68.335%0.35132%0.322SS..THydrogen-bonded Turntrans63.922-176.200000114.7Y12 V13 E14 L18 D53Y12-G16 PolarHBondContact O-N 2.79Å; V13-G16 PolarHBondContact O-N 3.26Å; V13-G16 VanDerWaalsContact O-N 3.16Å; E14-G16 VanDerWaalsContact C-N 3.31Å; G16-L18 PolarHBondContact O-N 2.73Å; G16-L18 VanDerWaalsContact O-N 3.14Å; G16-D53 WeakPolarHBondContact CA-OD2 3.48Å
17N85.7Confident86.6Confident49 Ų4973.6 Ų73.626%0.26235%0.345SS..  trans-9181.3-171.4-159.4-48.6000112.5Y12 D15 L19 K20 L21Y12-N17 PolarHBondContact O-N 2.93Å; D15-N17 PolarHBondContact O-N 3.05Å; N17-L19 VanDerWaalsContact C-N 3.34Å; N17-L19 PolarHBondContact O-N 2.71Å; N17-K20 HydrophobicContact CB-CB 4.26Å; N17-K20 HydrophobicContact CB-CD 4.4Å; N17-K20 WeakPolarHBondContact ND2-CD 3.41Å; N17-K20 PolarHBondContact O-N 3.12Å; N17-K20 WeakPolarHBondContact OD1-CB 3.5Å; N17-K20 VanDerWaalsContact OD1-CG 3.31Å; N17-K20 WeakPolarHBondContact OD1-CG 3.41Å; N17-K20 PolarHBondContact OD1-N 2.75Å; N17-K20 VanDerWaalsContact OD1-N 3.12Å; N17-L21 WeakPolarHBondContact O-CB 3.48Å; N17-L21 PolarHBondContact O-N 3.15Å
18L88.6Confident86.6Confident59 Ų5974.4 Ų74.431%0.30934%0.342SS..Hα-helixtrans-52.8-45.4-179-177.670000113.8G16 L21 K22 A55 V56 L59G16-L18 PolarHBondContact O-N 2.73Å; G16-L18 VanDerWaalsContact O-N 3.14Å; L18-L21 PolarHBondContact O-N 2.81Å; L18-K22 VanDerWaalsContact O-CB 3.25Å; L18-K22 WeakPolarHBondContact O-CB 3.31Å; L18-K22 PolarHBondContact O-N 2.93Å; L18-A55 HydrophobicContact CD1-CB 4.21Å; L18-A55 WeakPolarHBondContact CD1-O 3.2Å; L18-A55 HydrophobicContact CD2-CB 3.85Å; L18-V56 HydrophobicContact CB-CG2 4.26Å; L18-V56 HydrophobicContact CD1-CG2 4.03Å; L18-L59 HydrophobicContact CD1-CB 4.05Å; L18-L59 HydrophobicContact CD1-CD2 3.72Å; L18-L59 HydrophobicContact CD1-CG 4.49Å
19L87.1Confident86.5Confident136 Ų13673 Ų7371%0.71235%0.348SS*.Hα-helixtrans-66.5-43.8-175.3-66.9176.6000111.8N17 S23N17-L19 VanDerWaalsContact C-N 3.34Å; N17-L19 PolarHBondContact O-N 2.71Å; L19-S23 VanDerWaalsContact O-CB 3.31Å; L19-S23 WeakPolarHBondContact O-CB 3.06Å; L19-S23 PolarHBondContact O-N 3.33Å
20K86.2Confident86.3Confident121 Ų12180.6 Ų80.653%0.52639%0.388SS..Hα-helixtrans-66.4-43.3176.1-71.7-179.1-171.6168.80110.9Y12 N17 S23 Y24Y12-K20 HydrophobicContact CD1-CB 4.22Å; Y12-K20 HydrophobicContact CE1-CB 4.33Å; Y12-K20 HydrophobicContact CE1-CD 4.38Å; Y12-K20 HydrophobicContact CG-CB 4.48Å; N17-K20 HydrophobicContact CB-CB 4.26Å; N17-K20 HydrophobicContact CB-CD 4.4Å; N17-K20 WeakPolarHBondContact ND2-CD 3.41Å; N17-K20 PolarHBondContact O-N 3.12Å; N17-K20 WeakPolarHBondContact OD1-CB 3.5Å; N17-K20 VanDerWaalsContact OD1-CG 3.31Å; N17-K20 WeakPolarHBondContact OD1-CG 3.41Å; N17-K20 PolarHBondContact OD1-N 2.75Å; N17-K20 VanDerWaalsContact OD1-N 3.12Å; K20-S23 PolarHBondContact O-N 3.37Å; K20-Y24 VanDerWaalsContact O-CB 3.25Å; K20-Y24 WeakPolarHBondContact O-CB 2.87Å; K20-Y24 PolarHBondContact O-N 2.87Å
21L88.7Confident86.2Confident0 Ų080.5 Ų80.50%039%0.39CS..Hα-helixtrans-59.9-48.6176.4-178.860.7000111.4V9 V13 N17 L18 S23 Y24 L25 V56 L59V9-L21 HydrophobicContact CB-CD1 4.5Å; V9-L21 HydrophobicContact CG1-CD1 3.94Å; V9-L21 HydrophobicContact CG2-CD1 4.41Å; V13-L21 HydrophobicContact CG2-CD1 4.39Å; V13-L21 HydrophobicContact CG2-CD2 3.83Å; N17-L21 WeakPolarHBondContact O-CB 3.48Å; N17-L21 PolarHBondContact O-N 3.15Å; L18-L21 PolarHBondContact O-N 2.81Å; L21-S23 PolarHBondContact O-N 3.2Å; L21-Y24 PolarHBondContact O-N 3.43Å; L21-L25 HydrophobicContact CD1-CD1 3.75Å; L21-L25 HydrophobicContact CD1-CG 3.99Å; L21-L25 HydrophobicContact CG-CD1 3.84Å; L21-L25 HydrophobicContact CG-CG 4.43Å; L21-L25 WeakPolarHBondContact O-CB 3.32Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.29Å; L21-L25 PolarHBondContact O-N 2.92Å; L21-V56 HydrophobicContact CD2-CG1 3.67Å; L21-V56 HydrophobicContact CD2-CG2 4.3Å; L21-L59 HydrophobicContact CB-CD2 4.3Å; L21-L59 HydrophobicContact CD2-CD2 3.95Å; L21-L59 HydrophobicContact CG-CD2 3.88Å
22K88.3Confident86.2Confident128 Ų12876.4 Ų76.456%0.55738%0.38SS*.Hα-helixtrans-60.9-45.5178.5-172.9178.3-179-1790112.3L18 Y24 R26 L59L18-K22 VanDerWaalsContact O-CB 3.25Å; L18-K22 WeakPolarHBondContact O-CB 3.31Å; L18-K22 PolarHBondContact O-N 2.93Å; K22-Y24 VanDerWaalsContact C-N 3.35Å; K22-R26 WeakPolarHBondContact O-CB 3.49Å; K22-R26 PolarHBondContact O-N 2.91Å; K22-L59 HydrophobicContact CB-CD2 3.89Å; K22-L59 HydrophobicContact CG-CD1 4.3Å
23S88.6Confident86.1Confident45 Ų4574.3 Ų74.332%0.31537%0.373SS..Hα-helixtrans-60.6-44.3175.7174.10000111.7L19 K20 L21 R26 K27L19-S23 VanDerWaalsContact O-CB 3.31Å; L19-S23 WeakPolarHBondContact O-CB 3.06Å; L19-S23 PolarHBondContact O-N 3.33Å; K20-S23 PolarHBondContact O-N 3.37Å; L21-S23 PolarHBondContact O-N 3.2Å; S23-R26 PolarHBondContact O-N 3.35Å; S23-K27 WeakPolarHBondContact O-CG 3.24Å; S23-K27 PolarHBondContact O-N 3.32Å; S23-K27 VanDerWaalsContact O-N 3.15Å
24Y85.1Confident86.1Confident23 Ų2376.8 Ų76.89%0.0939%0.386CS..Hα-helixtrans-67.8-45.2-178-167.1-107.7000112.3R8 V9 Y12 K20 L21 K22 R26 K27 H28 L31R8-Y24 HydrophobicContact CB-CE1 4.2Å; V9-Y24 HydrophobicContact CG2-CD1 3.86Å; V9-Y24 HydrophobicContact CG2-CE1 3.96Å; Y12-Y24 HydrophobicContact CD2-CD1 4.42Å; Y12-Y24 HydrophobicContact CD2-CG 4.36Å; Y12-Y24 HydrophobicContact CE2-CD1 4.08Å; Y12-Y24 HydrophobicContact CE2-CD2 4.09Å; Y12-Y24 AromaticContact CE2-CG 3.76Å; Y12-Y24 HydrophobicContact CE2-CG 3.76Å; K20-Y24 VanDerWaalsContact O-CB 3.25Å; K20-Y24 WeakPolarHBondContact O-CB 2.87Å; K20-Y24 PolarHBondContact O-N 2.87Å; L21-Y24 PolarHBondContact O-N 3.43Å; K22-Y24 VanDerWaalsContact C-N 3.35Å; Y24-R26 VanDerWaalsContact C-N 3.26Å; Y24-R26 PolarHBondContact O-N 3.42Å; Y24-K27 PolarHBondContact O-N 2.9Å; Y24-K27 VanDerWaalsContact O-N 3.15Å; Y24-H28 AromaticContact CE1-CD2 3.97Å; Y24-H28 AromaticContact CE2-CD2 3.59Å; Y24-H28 AromaticContact CE2-NE2 3.68Å; Y24-H28 AromaticContact CZ-CD2 3.56Å; Y24-H28 AromaticContact CZ-NE2 3.87Å; Y24-H28 PolarHBondContact O-N 3.21Å; Y24-H28 VanDerWaalsContact O-N 3.09Å; Y24-L31 HydrophobicContact CD1-CD2 4.43Å; Y24-L31 HydrophobicContact CE1-CD2 4.02Å
25L86.6Confident86.3Confident1 Ų171.9 Ų71.91%0.00536%0.363CS..Hα-helixtrans-66.8-26.8175.7-66.2174.3000112.4V9 L21 H28 L31 V33 L59 R63V9-L25 HydrophobicContact CG2-CD2 4.1Å; L21-L25 HydrophobicContact CD1-CD1 3.75Å; L21-L25 HydrophobicContact CD1-CG 3.99Å; L21-L25 HydrophobicContact CG-CD1 3.84Å; L21-L25 HydrophobicContact CG-CG 4.43Å; L21-L25 WeakPolarHBondContact O-CB 3.32Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.29Å; L21-L25 PolarHBondContact O-N 2.92Å; L25-H28 CarbonylContact O-C 3.6Å; L25-L31 HydrophobicContact CD2-CD2 4.14Å; L25-V33 HydrophobicContact CD2-CG1 4.19Å; L25-L59 HydrophobicContact CD1-CD2 4.39Å; L25-L59 HydrophobicContact CD1-CG 4.48Å; L25-R63 HydrophobicContact CD1-CG 4.29Å; L25-R63 VanDerWaalsContact O-CZ 3.31Å; L25-R63 PolarHBondContact O-NH1 3.39Å; L25-R63 PolarHBondContact O-NH2 3.14Å
26R87Confident86.5Confident186 Ų18668.5 Ų68.570%0.70235%0.348SS*.Hα-helixtrans-70.2-36.9171.8-170.7179.467.4-172.21.4112.1K22 S23 Y24 H28K22-R26 WeakPolarHBondContact O-CB 3.49Å; K22-R26 PolarHBondContact O-N 2.91Å; S23-R26 PolarHBondContact O-N 3.35Å; Y24-R26 VanDerWaalsContact C-N 3.26Å; Y24-R26 PolarHBondContact O-N 3.42Å; R26-H28 VanDerWaalsContact C-N 3.32Å
27K87.5Confident86.4Confident145 Ų14569.9 Ų69.963%0.6335%0.345SS*.Hα-helixtrans-74.6-22.4177.5-70.2-179.8179.9-1730113.2S23 Y24S23-K27 WeakPolarHBondContact O-CG 3.24Å; S23-K27 PolarHBondContact O-N 3.32Å; S23-K27 VanDerWaalsContact O-N 3.15Å; Y24-K27 PolarHBondContact O-N 2.9Å; Y24-K27 VanDerWaalsContact O-N 3.15Å
28H85.2Confident86.1Confident53 Ų5370 Ų7025%0.24536%0.358CS..  trans-127.680.2-179.5-61.9-60.8000110.2Y24 L25 R26 D30 L31Y24-H28 AromaticContact CE1-CD2 3.97Å; Y24-H28 AromaticContact CE2-CD2 3.59Å; Y24-H28 AromaticContact CE2-NE2 3.68Å; Y24-H28 AromaticContact CZ-CD2 3.56Å; Y24-H28 AromaticContact CZ-NE2 3.87Å; Y24-H28 PolarHBondContact O-N 3.21Å; Y24-H28 VanDerWaalsContact O-N 3.09Å; L25-H28 CarbonylContact O-C 3.6Å; R26-H28 VanDerWaalsContact C-N 3.32Å; H28-D30 VanDerWaalsContact C-N 3.31Å; H28-D30 PolarHBondContact O-N 3.21Å; H28-L31 HydrophobicContact CB-CB 4.06Å; H28-L31 WeakPolarHBondContact O-CB 3.43Å; H28-L31 PolarHBondContact O-N 3.06Å
29P81.3Confident85.7Confident85 Ų8575.9 Ų75.955%0.55238%0.381SS*.THydrogen-bonded Turntrans-65.8-33.1-179.326.4-33.4000112.7L31P29-L31 PolarHBondContact O-N 3.25Å
30D82.8Confident85.2Confident159 Ų15973 Ų7385%0.8537%0.365SS*.THydrogen-bonded Turntrans-81.25.2-176.5-40.2-49.1000113.6H28 D32H28-D30 VanDerWaalsContact C-N 3.31Å; H28-D30 PolarHBondContact O-N 3.21Å; D30-D32 PolarHBondContact O-N 3.29Å
31L86.2Confident85.2Confident29 Ų2973 Ų7315%0.15236%0.361CS..  trans-78.9113.6-175.4-174.666.6000110.6R5 Q6 V9 Y24 L25 H28 P29 V33R5-L31 HydrophobicContact CB-CD1 3.79Å; Q6-L31 HydrophobicContact CG-CD1 4.03Å; V9-L31 HydrophobicContact CG2-CD2 3.41Å; V9-L31 VanDerWaalsContact CG2-CD2 3.41Å; Y24-L31 HydrophobicContact CD1-CD2 4.43Å; Y24-L31 HydrophobicContact CE1-CD2 4.02Å; L25-L31 HydrophobicContact CD2-CD2 4.14Å; H28-L31 HydrophobicContact CB-CB 4.06Å; H28-L31 WeakPolarHBondContact O-CB 3.43Å; H28-L31 PolarHBondContact O-N 3.06Å; P29-L31 PolarHBondContact O-N 3.25Å; L31-V33 PolarHBondContact O-N 2.75Å
32D85.1Confident85.1Confident79 Ų7976 Ų7642%0.42237%0.373SS..  trans-65.2125.4172.8-178.322.6000111.6D30 N34 F35D30-D32 PolarHBondContact O-N 3.29Å; D32-N34 WeakPolarHBondContact OD1-CB 3.24Å; D32-N34 PolarHBondContact OD1-N 2.92Å; D32-F35 WeakPolarHBondContact O-CD1 3.42Å
33V85.9Confident85.3Confident5 Ų570.1 Ų70.13%0.0335%0.347CS..  trans-91.4-6178.6-66.60000112.6L25 L31 F35 P44 L60 R63 A65L25-V33 HydrophobicContact CD2-CG1 4.19Å; L31-V33 PolarHBondContact O-N 2.75Å; V33-F35 PolarHBondContact O-N 3.48Å; V33-P44 WeakPolarHBondContact O-CG 3.39Å; V33-L60 HydrophobicContact CG1-CD2 4.39Å; V33-R63 HydrophobicContact CG1-CB 4.36Å; V33-A65 HydrophobicContact CG2-CB 4.13Å
34N88.1Confident85.4Confident53 Ų5368 Ų6828%0.28333%0.333SS..  trans-95.350-174.8-62-38.9000113.1D32 G64 A65 D66D32-N34 WeakPolarHBondContact OD1-CB 3.24Å; D32-N34 PolarHBondContact OD1-N 2.92Å; N34-G64 PolarHBondContact ND2-O 3.31Å; N34-A65 VanDerWaalsContact OD1-CA 3.31Å; N34-A65 WeakPolarHBondContact OD1-CA 3.48Å; N34-D66 PolarHBondContact OD1-N 3.03Å
35F89Confident85.7Confident13 Ų1367 Ų676%0.05733%0.329CS..  trans-106.3154.2175.463-88000111.5V2 Q6 V9 W10 D32 V33 Q37 S43 P44V2-F35 HydrophobicContact CG1-CD2 3.68Å; V2-F35 HydrophobicContact CG1-CE2 3.91Å; V2-F35 HydrophobicContact CG1-CG 4.35Å; V2-F35 HydrophobicContact CG2-CD2 4.08Å; Q6-F35 HydrophobicContact CB-CD1 3.8Å; Q6-F35 HydrophobicContact CB-CD2 4.12Å; Q6-F35 HydrophobicContact CB-CE1 3.7Å; Q6-F35 HydrophobicContact CB-CE2 4.02Å; Q6-F35 HydrophobicContact CB-CG 4.01Å; Q6-F35 HydrophobicContact CB-CZ 3.81Å; Q6-F35 HydrophobicContact CG-CD1 3.65Å; Q6-F35 HydrophobicContact CG-CE1 3.88Å; Q6-F35 HydrophobicContact CG-CG 4.09Å; Q6-F35 HydrophobicContact CG-CZ 4.49Å; Q6-F35 WeakPolarHBondContact O-CZ 3.29Å; V9-F35 HydrophobicContact CB-CE1 4.33Å; V9-F35 HydrophobicContact CB-CZ 4.13Å; V9-F35 HydrophobicContact CG1-CE1 4.12Å; V9-F35 HydrophobicContact CG1-CZ 4.04Å; W10-F35 HydrophobicContact CB-CE2 4.15Å; W10-F35 HydrophobicContact CB-CZ 4.35Å; W10-F35 AromaticContact CE3-CE2 3.77Å; W10-F35 HydrophobicContact CE3-CE2 3.77Å; W10-F35 HydrophobicContact CE3-CZ 4.43Å; D32-F35 WeakPolarHBondContact O-CD1 3.42Å; V33-F35 PolarHBondContact O-N 3.48Å; F35-Q37 HydrophobicContact CD2-CB 4.44Å; F35-Q37 HydrophobicContact CE2-CB 4.44Å; F35-S43 WeakPolarHBondContact O-CA 3.48Å; F35-P44 HydrophobicContact CD1-CG 4.09Å; F35-P44 HydrophobicContact CD2-CG 4.34Å; F35-P44 HydrophobicContact CE1-CG 3.54Å; F35-P44 HydrophobicContact CE2-CG 3.82Å; F35-P44 HydrophobicContact CG-CG 4.46Å; F35-P44 HydrophobicContact CZ-CG 3.39Å; F35-P44 WeakPolarHBondContact O-CD 3.36Å
36S88.1Confident85.9Confident36 Ų3666.9 Ų66.925%0.25233%0.328SS..  trans-10613617567.40000110.9V2 R42V2-S36 WeakPolarHBondContact CG2-O 3.35Å; S36-R42 CarbonylContact C-O 3.41Å; S36-R42 WeakPolarHBondContact CA-O 3.49Å
37Q82.9Confident86.1Confident63 Ų6359 Ų5929%0.29430%0.3SS..BIsolated β-bridgetrans-138.3155.6179.5-173.977.6-36.300111.4V2 W10 F35 R42V2-Q37 HydrophobicContact CG2-CB 4.37Å; W10-Q37 HydrophobicContact CD2-CB 3.58Å; W10-Q37 HydrophobicContact CD2-CG 3.65Å; W10-Q37 HydrophobicContact CE3-CB 3.49Å; W10-Q37 VanDerWaalsContact CE3-CB 3.49Å; W10-Q37 HydrophobicContact CE3-CG 4.11Å; W10-Q37 HydrophobicContact CG-CB 4.29Å; W10-Q37 HydrophobicContact CG-CG 3.9Å; W10-Q37 HydrophobicContact CH2-CB 3.75Å; W10-Q37 WeakPolarHBondContact CH2-O 3.35Å; W10-Q37 HydrophobicContact CZ2-CB 3.86Å; W10-Q37 HydrophobicContact CZ2-CG 4.16Å; W10-Q37 HydrophobicContact CZ3-CB 3.58Å; F35-Q37 HydrophobicContact CD2-CB 4.44Å; F35-Q37 HydrophobicContact CE2-CB 4.44Å; Q37-R42 PolarHBondContact N-O 3.19Å; Q37-R42 PolarHBondContact O-N 3.16Å
38G80.9Confident86.2Confident51 Ų5152.1 Ų52.153%0.52627%0.27SS..THydrogen-bonded Turntrans81.6178.5176.300000114.6M40 R41G38-M40 VanDerWaalsContact C-N 3.27Å; G38-M40 PolarHBondContact O-N 3.02Å; G38-R41 PolarHBondContact O-N 3.48Å; G38-R41 VanDerWaalsContact O-N 3.15Å
39K79.2Confident86.4Confident182 Ų18249.6 Ų49.679%0.79126%0.259SS*.THydrogen-bonded Turntrans-61.9-35-174.7-67.3-175.6179.2-176.80112.7R41 R72K39-R41 VanDerWaalsContact C-N 3.3Å; K39-R41 PolarHBondContact O-N 2.86Å; K39-R72 VanDerWaalsContact O-CZ 3.28Å; K39-R72 PolarHBondContact O-NE 2.9Å; K39-R72 PolarHBondContact O-NH2 2.98Å
40M76.5Confident86.7Confident76 Ų7646.7 Ų46.737%0.37424%0.24SC..THydrogen-bonded Turntrans-84.8-0.3-178.4-53.7-42.8-173.200113.5G38 R42 D71 R72 W73G38-M40 VanDerWaalsContact C-N 3.27Å; G38-M40 PolarHBondContact O-N 3.02Å; M40-R42 HydrophobicContact CB-CG 4.03Å; M40-R42 PolarHBondContact O-N 3.34Å; M40-D71 WeakPolarHBondContact O-CB 3.44Å; M40-R72 WeakPolarHBondContact O-CB 3.36Å; M40-R72 PolarHBondContact O-N 2.82Å; M40-W73 HydrophobicContact CB-CE3 4.5Å; M40-W73 HydrophobicContact CB-CH2 4.24Å; M40-W73 HydrophobicContact CB-CZ3 3.75Å; M40-W73 HydrophobicContact CE-CH2 3.25Å; M40-W73 HydrophobicContact CE-CZ2 3.66Å; M40-W73 HydrophobicContact CE-CZ3 4.25Å; M40-W73 HydrophobicContact CG-CH2 3.55Å; M40-W73 HydrophobicContact CG-CZ3 3.56Å; M40-W73 HydrophobicContact SD-CH2 3.06Å; M40-W73 WeakPolarHBondContact SD-CH2 3.48Å; M40-W73 HydrophobicContact SD-CZ2 3.52Å; M40-W73 VanDerWaalsContact SD-CZ2 3.52Å; M40-W73 HydrophobicContact SD-CZ3 3.59Å; M40-W73 VanDerWaalsContact SD-CZ3 3.59Å
41R86Confident86.9Confident120 Ų12043 Ų4345%0.45322%0.22SC..THydrogen-bonded Turntrans50.243.7-175.9-61.5-17664.1-115.8-0.4112.3G38 K39G38-R41 PolarHBondContact O-N 3.48Å; G38-R41 VanDerWaalsContact O-N 3.15Å; K39-R41 VanDerWaalsContact C-N 3.3Å; K39-R41 PolarHBondContact O-N 2.86Å
42R87.8Confident86.9Confident65 Ų6544.3 Ų44.325%0.24523%0.225CC..BIsolated β-bridgetrans-80.8148.2179.5-77-178.1179.9173.50.6111W10 S36 Q37 M40 Q46 S50 D71W10-R42 HydrophobicContact CH2-CB 4.18Å; W10-R42 VanDerWaalsContact CH2-O 3.28Å; W10-R42 WeakPolarHBondContact CH2-O 3.43Å; W10-R42 WeakPolarHBondContact CZ3-O 2.99Å; S36-R42 CarbonylContact C-O 3.41Å; S36-R42 WeakPolarHBondContact CA-O 3.49Å; Q37-R42 PolarHBondContact N-O 3.19Å; Q37-R42 PolarHBondContact O-N 3.16Å; M40-R42 HydrophobicContact CB-CG 4.03Å; M40-R42 PolarHBondContact O-N 3.34Å; R42-Q46 HydrophobicContact CB-CB 4.08Å; R42-Q46 HydrophobicContact CG-CB 4.23Å; R42-S50 VanDerWaalsContact NH1-CB 3.33Å; R42-S50 PolarHBondContact NH1-OG 3.05Å; R42-D71 HydrophobicContact CG-CB 4.01Å; R42-D71 IonicContact NE-OD2 2.83Å
43S91.5Very high87Confident3 Ų342.1 Ų42.12%0.02121%0.214CC..  trans-78.8159.416773.40000111.6F35 L45 Q46 L47F35-S43 WeakPolarHBondContact O-CA 3.48Å; S43-L45 PolarHBondContact O-N 3.38Å; S43-Q46 WeakPolarHBondContact O-CB 3.38Å; S43-Q46 PolarHBondContact O-N 2.85Å; S43-Q46 VanDerWaalsContact O-N 3.1Å; S43-Q46 WeakPolarHBondContact OG-CG 3.45Å; S43-Q46 PolarHBondContact OG-N 3.31Å; S43-L47 PolarHBondContact O-N 3.43Å
44P91.2Very high87.1Confident1 Ų144.4 Ų44.41%0.00623%0.226CC..Hα-helixtrans-51.7-36.9172-30.134.1000113.2W10 V13 V33 F35 L47 A48 L60W10-P44 HydrophobicContact CE3-CG 4.22Å; W10-P44 HydrophobicContact CZ3-CG 4.43Å; V13-P44 HydrophobicContact CG2-CB 4.4Å; V33-P44 WeakPolarHBondContact O-CG 3.39Å; F35-P44 HydrophobicContact CD1-CG 4.09Å; F35-P44 HydrophobicContact CD2-CG 4.34Å; F35-P44 HydrophobicContact CE1-CG 3.54Å; F35-P44 HydrophobicContact CE2-CG 3.82Å; F35-P44 HydrophobicContact CG-CG 4.46Å; F35-P44 HydrophobicContact CZ-CG 3.39Å; F35-P44 WeakPolarHBondContact O-CD 3.36Å; P44-L47 PolarHBondContact O-N 2.92Å; P44-A48 PolarHBondContact O-N 3.2Å; P44-L60 HydrophobicContact CB-CD1 3.98Å; P44-L60 HydrophobicContact CB-CD2 4.32Å
45L91.7Very high87.2Confident1 Ų143.5 Ų43.51%0.00523%0.225CC..Hα-helixtrans-65.6-45.8177.3-177.967.3000111.5S43 L47 A48 C49 M57 L60 L61 A65 V67 A77 L100S43-L45 PolarHBondContact O-N 3.38Å; L45-L47 VanDerWaalsContact C-N 3.29Å; L45-L47 PolarHBondContact O-N 2.96Å; L45-A48 PolarHBondContact O-N 3.47Å; L45-C49 PolarHBondContact O-N 2.94Å; L45-C49 PolarHBondContact O-SG 3.36Å; L45-M57 HydrophobicContact CD1-CG 3.73Å; L45-L60 HydrophobicContact CD1-CB 4.27Å; L45-L61 HydrophobicContact CD1-CD2 3.88Å; L45-L61 HydrophobicContact CD1-CG 3.86Å; L45-L61 HydrophobicContact CD2-CD2 3.86Å; L45-A65 HydrophobicContact CB-CB 4.13Å; L45-A65 HydrophobicContact CD1-CB 4.43Å; L45-A65 HydrophobicContact CD2-CB 4.14Å; L45-A65 HydrophobicContact CG-CB 4.47Å; L45-V67 HydrophobicContact CD2-CG2 4.05Å; L45-A77 HydrophobicContact CD2-CB 4.02Å; L45-A77 HydrophobicContact CG-CB 4.23Å; L45-L100 HydrophobicContact CD1-CD2 4.45Å; L45-L100 HydrophobicContact CD2-CD2 4.27Å
46Q90.8Very high87.2Confident0 Ų042.9 Ų42.90%022%0.222CC..Hα-helixtrans-64.7-34.6176.4-71174-2700112.3R42 S43 C49 S50 H69 N75 A77 I80R42-Q46 HydrophobicContact CB-CB 4.08Å; R42-Q46 HydrophobicContact CG-CB 4.23Å; S43-Q46 WeakPolarHBondContact O-CB 3.38Å; S43-Q46 PolarHBondContact O-N 2.85Å; S43-Q46 VanDerWaalsContact O-N 3.1Å; S43-Q46 WeakPolarHBondContact OG-CG 3.45Å; S43-Q46 PolarHBondContact OG-N 3.31Å; Q46-C49 PolarHBondContact O-N 2.83Å; Q46-S50 PolarHBondContact O-N 2.97Å; Q46-S50 PolarHBondContact O-OG 2.73Å; Q46-H69 PolarHBondContact NE2-O 3.37Å; Q46-N75 PolarHBondContact NE2-O 3.41Å; Q46-A77 HydrophobicContact CG-CB 4.28Å; Q46-I80 HydrophobicContact CB-CD1 3.54Å; Q46-I80 HydrophobicContact CG-CD1 3.77Å
47L89.6Confident87.4Confident20 Ų2041.1 Ų41.111%0.10521%0.21CC..Hα-helixtrans-64.5-47.2173.4-178.864.5000110.9W10 V13 E14 S43 P44 L45 C49 S50 L51W10-L47 HydrophobicContact CD2-CD2 3.99Å; W10-L47 HydrophobicContact CE3-CD2 4.23Å; W10-L47 HydrophobicContact CH2-CB 4.2Å; W10-L47 HydrophobicContact CH2-CD2 4.04Å; W10-L47 HydrophobicContact CZ2-CD1 4.45Å; W10-L47 HydrophobicContact CZ2-CD2 3.75Å; W10-L47 HydrophobicContact CZ3-CB 4.41Å; W10-L47 HydrophobicContact CZ3-CD2 4.26Å; V13-L47 HydrophobicContact CB-CD2 4.24Å; V13-L47 HydrophobicContact CG1-CB 4.18Å; V13-L47 HydrophobicContact CG1-CD2 3.79Å; V13-L47 HydrophobicContact CG1-CG 3.99Å; E14-L47 HydrophobicContact CB-CD2 4.29Å; S43-L47 PolarHBondContact O-N 3.43Å; P44-L47 PolarHBondContact O-N 2.92Å; L45-L47 VanDerWaalsContact C-N 3.29Å; L45-L47 PolarHBondContact O-N 2.96Å; L47-C49 VanDerWaalsContact C-N 3.29Å; L47-C49 PolarHBondContact O-N 3.15Å; L47-S50 WeakPolarHBondContact CA-OG 3.36Å; L47-S50 PolarHBondContact O-N 3.03Å; L47-S50 VanDerWaalsContact O-N 3.1Å; L47-S50 PolarHBondContact O-OG 3.06Å; L47-L51 HydrophobicContact CD1-CD1 4.17Å; L47-L51 HydrophobicContact CD1-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4Å; L47-L51 WeakPolarHBondContact O-CG 3.37Å; L47-L51 PolarHBondContact O-N 2.88Å
48A90.2Very high87.7Confident1 Ų142.8 Ų42.81%0.00821%0.214CC..Hα-helixtrans-58.8-41.1176.100000111.9V13 P44 L45 S50 L51 E52 D53 V56 M57 L60V13-A48 HydrophobicContact CG1-CB 4.2Å; P44-A48 PolarHBondContact O-N 3.2Å; L45-A48 PolarHBondContact O-N 3.47Å; A48-S50 VanDerWaalsContact C-N 3.34Å; A48-S50 PolarHBondContact O-N 3.45Å; A48-L51 CarbonylContact O-C 3.47Å; A48-L51 PolarHBondContact O-N 2.87Å; A48-E52 PolarHBondContact O-N 2.89Å; A48-D53 PolarHBondContact O-N 3.39Å; A48-V56 HydrophobicContact CB-CG1 3.99Å; A48-M57 HydrophobicContact CB-CB 4.25Å; A48-L60 HydrophobicContact CB-CD1 4.2Å
49C89.5Confident88.2Confident0 Ų041.3 Ų41.30%019%0.194CC..Hα-helixtrans-62.9-39.1175.2-61.20000112.1L45 Q46 L47 L51 E52 I80L45-C49 PolarHBondContact O-N 2.94Å; L45-C49 PolarHBondContact O-SG 3.36Å; Q46-C49 PolarHBondContact O-N 2.83Å; L47-C49 VanDerWaalsContact C-N 3.29Å; L47-C49 PolarHBondContact O-N 3.15Å; C49-L51 VanDerWaalsContact C-N 3.27Å; C49-L51 PolarHBondContact O-N 3.07Å; C49-E52 PolarHBondContact O-N 3.27Å; C49-I80 HydrophobicContact CB-CB 4.36Å; C49-I80 HydrophobicContact CB-CG2 3.81Å
50S87Confident88.7Confident23 Ų2332.7 Ų32.716%0.16116%0.156CC..Hα-helixtrans-74-16.217763.60000114.8R42 Q46 L47 A48 M84R42-S50 VanDerWaalsContact NH1-CB 3.33Å; R42-S50 PolarHBondContact NH1-OG 3.05Å; Q46-S50 PolarHBondContact O-N 2.97Å; Q46-S50 PolarHBondContact O-OG 2.73Å; L47-S50 WeakPolarHBondContact CA-OG 3.36Å; L47-S50 PolarHBondContact O-N 3.03Å; L47-S50 VanDerWaalsContact O-N 3.1Å; L47-S50 PolarHBondContact O-OG 3.06Å; A48-S50 VanDerWaalsContact C-N 3.34Å; A48-S50 PolarHBondContact O-N 3.45Å; S50-M84 WeakPolarHBondContact O-CE 3.44Å
51L87.1Confident89.3Confident82 Ų8230.1 Ų30.143%0.42914%0.144SC..THydrogen-bonded Turntrans-99.6-2.5175.8-65.8174000112.3V13 L47 A48 C49 D53V13-L51 WeakPolarHBondContact O-CD1 3.43Å; L47-L51 HydrophobicContact CD1-CD1 4.17Å; L47-L51 HydrophobicContact CD1-CG 4.4Å; L47-L51 HydrophobicContact CG-CD1 4Å; L47-L51 WeakPolarHBondContact O-CG 3.37Å; L47-L51 PolarHBondContact O-N 2.88Å; A48-L51 CarbonylContact O-C 3.47Å; A48-L51 PolarHBondContact O-N 2.87Å; C49-L51 VanDerWaalsContact C-N 3.27Å; C49-L51 PolarHBondContact O-N 3.07Å; L51-D53 PolarHBondContact O-N 2.83Å
52E87.3Confident89.5Confident57 Ų5732.9 Ų32.927%0.26616%0.16SC..THydrogen-bonded Turntrans5925.6-178.5-53.4-179.5175.100114.8A48 C49 D54 M84 N88 V92 L96A48-E52 PolarHBondContact O-N 2.89Å; C49-E52 PolarHBondContact O-N 3.27Å; E52-D54 PolarHBondContact O-N 3.44Å; E52-D54 VanDerWaalsContact O-N 3.16Å; E52-M84 HydrophobicContact CG-CB 4.48Å; E52-M84 HydrophobicContact CG-CE 3.85Å; E52-M84 WeakPolarHBondContact OE1-CE 3.25Å; E52-N88 VanDerWaalsContact OE1-CB 3.27Å; E52-N88 WeakPolarHBondContact OE1-CB 3.33Å; E52-N88 PolarHBondContact OE1-ND2 3.3Å; E52-N88 PolarHBondContact OE2-ND2 2.92Å; E52-V92 HydrophobicContact CG-CG1 4.26Å; E52-L96 HydrophobicContact CB-CD1 4.41Å; E52-L96 HydrophobicContact CG-CD1 4.31Å
53D87.1Confident89.5Confident33 Ų3334.4 Ų34.418%0.17617%0.165CC..  trans-87.787.7178.6-167.8-27.8000109.8G16 A48 L51 A55 V56 M57G16-D53 WeakPolarHBondContact CA-OD2 3.48Å; A48-D53 PolarHBondContact O-N 3.39Å; L51-D53 PolarHBondContact O-N 2.83Å; D53-A55 PolarHBondContact O-N 3.47Å; D53-A55 PolarHBondContact OD1-N 3.37Å; D53-V56 HydrophobicContact CB-CB 4.11Å; D53-V56 HydrophobicContact CB-CG2 4.47Å; D53-V56 VanDerWaalsContact CG-CG2 3.44Å; D53-V56 PolarHBondContact O-N 2.92Å; D53-V56 WeakPolarHBondContact OD1-CB 3.31Å; D53-V56 WeakPolarHBondContact OD1-CG2 2.99Å; D53-V56 PolarHBondContact OD1-N 3.3Å; D53-V56 WeakPolarHBondContact OD2-CG2 3.21Å; D53-M57 WeakPolarHBondContact O-CB 3.24Å; D53-M57 PolarHBondContact O-N 3.14Å
54D88.5Confident89.2Confident53 Ų5336.6 Ų36.628%0.28319%0.189SC..Hα-helixtrans-58.8-36.4-179.897.9-54.8000111.7E52 M57 R58 D95 L96E52-D54 PolarHBondContact O-N 3.44Å; E52-D54 VanDerWaalsContact O-N 3.16Å; D54-M57 WeakPolarHBondContact O-CB 3.11Å; D54-M57 PolarHBondContact O-N 3.27Å; D54-R58 WeakPolarHBondContact O-CB 3.22Å; D54-R58 WeakPolarHBondContact O-CG 3.3Å; D54-R58 PolarHBondContact O-N 2.89Å; D54-R58 IonicContact OD2-CZ 2.96Å; D54-R58 IonicContact OD2-NE 2.77Å; D54-R58 PolarHBondContact OD2-NE 3.14Å; D54-R58 IonicContact OD2-NH2 3.68Å; D54-D95 HydrophobicContact CB-CB 4.21Å; D54-L96 HydrophobicContact CB-CD2 4.13Å
55A88.5Confident89.1Confident33 Ų3337.1 Ų37.127%0.27319%0.193SC..Hα-helixtrans-72.3-43.4-174.900000110.7L18 D53 L59L18-A55 HydrophobicContact CD1-CB 4.21Å; L18-A55 WeakPolarHBondContact CD1-O 3.2Å; L18-A55 HydrophobicContact CD2-CB 3.85Å; D53-A55 PolarHBondContact O-N 3.47Å; D53-A55 PolarHBondContact OD1-N 3.37Å; A55-L59 WeakPolarHBondContact O-CB 3.35Å; A55-L59 PolarHBondContact O-N 2.86Å
56V89.2Confident88.9Confident0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-67.5-41172.9170.30000110.8V13 L18 L21 A48 D53 R58 L59 L60V13-V56 HydrophobicContact CB-CG1 4.41Å; V13-V56 HydrophobicContact CG1-CG1 4.05Å; V13-V56 HydrophobicContact CG2-CG1 3.99Å; L18-V56 HydrophobicContact CB-CG2 4.26Å; L18-V56 HydrophobicContact CD1-CG2 4.03Å; L21-V56 HydrophobicContact CD2-CG1 3.67Å; L21-V56 HydrophobicContact CD2-CG2 4.3Å; A48-V56 HydrophobicContact CB-CG1 3.99Å; D53-V56 HydrophobicContact CB-CB 4.11Å; D53-V56 HydrophobicContact CB-CG2 4.47Å; D53-V56 VanDerWaalsContact CG-CG2 3.44Å; D53-V56 PolarHBondContact O-N 2.92Å; D53-V56 WeakPolarHBondContact OD1-CB 3.31Å; D53-V56 WeakPolarHBondContact OD1-CG2 2.99Å; D53-V56 PolarHBondContact OD1-N 3.3Å; D53-V56 WeakPolarHBondContact OD2-CG2 3.21Å; V56-R58 PolarHBondContact O-N 3.44Å; V56-L59 PolarHBondContact O-N 3.27Å; V56-L60 HydrophobicContact CG1-CD1 3.93Å; V56-L60 HydrophobicContact CG1-CG 4.35Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 3.02Å
57M92.4Very high88.7Confident0 Ų040.3 Ų40.30%021%0.21CC..Hα-helixtrans-56.2-52.4174.1-179.2-158.862.400111.1L45 A48 D53 D54 L59 L60 L61 D95 L96 P99 L100L45-M57 HydrophobicContact CD1-CG 3.73Å; A48-M57 HydrophobicContact CB-CB 4.25Å; D53-M57 WeakPolarHBondContact O-CB 3.24Å; D53-M57 PolarHBondContact O-N 3.14Å; D54-M57 WeakPolarHBondContact O-CB 3.11Å; D54-M57 PolarHBondContact O-N 3.27Å; M57-L59 VanDerWaalsContact C-N 3.27Å; M57-L59 PolarHBondContact O-N 3.35Å; M57-L60 PolarHBondContact O-N 2.86Å; M57-L61 HydrophobicContact CE-CD1 4.44Å; M57-L61 HydrophobicContact CG-CD1 4.1Å; M57-L61 WeakPolarHBondContact O-CG 3.38Å; M57-L61 PolarHBondContact O-N 3.11Å; M57-L61 HydrophobicContact SD-CD1 4.45Å; M57-D95 WeakPolarHBondContact CE-O 3.49Å; M57-L96 HydrophobicContact CE-CD2 4Å; M57-L96 HydrophobicContact SD-CB 4.25Å; M57-L96 HydrophobicContact SD-CD2 3.64Å; M57-P99 HydrophobicContact CE-CB 4.08Å; M57-P99 HydrophobicContact CE-CG 4.32Å; M57-L100 HydrophobicContact SD-CD1 4.02Å; M57-L100 HydrophobicContact SD-CD2 4.16Å; M57-L100 HydrophobicContact SD-CG 3.88Å
58R90.3Very high88.5Confident97 Ų9742.7 Ų42.737%0.36622%0.222SC..Hα-helixtrans-60.7-36.3178.8-71.5170.6-165.9-73.90.6112.1D54 V56 K62D54-R58 WeakPolarHBondContact O-CB 3.22Å; D54-R58 WeakPolarHBondContact O-CG 3.3Å; D54-R58 PolarHBondContact O-N 2.89Å; D54-R58 IonicContact OD2-CZ 2.96Å; D54-R58 IonicContact OD2-NE 2.77Å; D54-R58 PolarHBondContact OD2-NE 3.14Å; D54-R58 IonicContact OD2-NH2 3.68Å; V56-R58 PolarHBondContact O-N 3.44Å; R58-K62 WeakPolarHBondContact O-CG 3.41Å; R58-K62 PolarHBondContact O-N 3.14Å
59L90.7Very high88.4Confident21 Ų2144.3 Ų44.311%0.1123%0.23CC..Hα-helixtrans-66.6-43.5176.2-179.465.2000112L18 L21 K22 L25 A55 V56 M57 K62 R63L18-L59 HydrophobicContact CD1-CB 4.05Å; L18-L59 HydrophobicContact CD1-CD2 3.72Å; L18-L59 HydrophobicContact CD1-CG 4.49Å; L21-L59 HydrophobicContact CB-CD2 4.3Å; L21-L59 HydrophobicContact CD2-CD2 3.95Å; L21-L59 HydrophobicContact CG-CD2 3.88Å; K22-L59 HydrophobicContact CB-CD2 3.89Å; K22-L59 HydrophobicContact CG-CD1 4.3Å; L25-L59 HydrophobicContact CD1-CD2 4.39Å; L25-L59 HydrophobicContact CD1-CG 4.48Å; A55-L59 WeakPolarHBondContact O-CB 3.35Å; A55-L59 PolarHBondContact O-N 2.86Å; V56-L59 PolarHBondContact O-N 3.27Å; M57-L59 VanDerWaalsContact C-N 3.27Å; M57-L59 PolarHBondContact O-N 3.35Å; L59-K62 PolarHBondContact O-N 3.49Å; L59-R63 PolarHBondContact O-N 2.95Å
60L90Very high88.4Confident0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-65.8-41.8177.5-69.8171000111.2V13 V33 P44 L45 A48 V56 M57 K62 R63 G64 A65V13-L60 HydrophobicContact CG2-CD1 4.19Å; V33-L60 HydrophobicContact CG1-CD2 4.39Å; P44-L60 HydrophobicContact CB-CD1 3.98Å; P44-L60 HydrophobicContact CB-CD2 4.32Å; L45-L60 HydrophobicContact CD1-CB 4.27Å; A48-L60 HydrophobicContact CB-CD1 4.2Å; V56-L60 HydrophobicContact CG1-CD1 3.93Å; V56-L60 HydrophobicContact CG1-CG 4.35Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 3.02Å; M57-L60 PolarHBondContact O-N 2.86Å; L60-K62 VanDerWaalsContact C-N 3.34Å; L60-K62 PolarHBondContact O-N 3.45Å; L60-R63 CarbonylContact O-C 3.57Å; L60-R63 WeakPolarHBondContact O-CA 2.98Å; L60-R63 PolarHBondContact O-N 2.93Å; L60-G64 PolarHBondContact O-N 3.39Å; L60-A65 HydrophobicContact CB-CB 4.02Å; L60-A65 VanDerWaalsContact O-CB 3.23Å; L60-A65 WeakPolarHBondContact O-CB 3.27Å; L60-A65 PolarHBondContact O-N 3.04Å; L60-A65 VanDerWaalsContact O-N 3.12Å
61L89.7Confident88.5Confident22 Ų2249.1 Ų49.112%0.11525%0.245CC..Hα-helixtrans-61.2-40.5174.1-70.1172.3000112.4L45 M57 R63 G64 V67 L100L45-L61 HydrophobicContact CD1-CD2 3.88Å; L45-L61 HydrophobicContact CD1-CG 3.86Å; L45-L61 HydrophobicContact CD2-CD2 3.86Å; M57-L61 HydrophobicContact CE-CD1 4.44Å; M57-L61 HydrophobicContact CG-CD1 4.1Å; M57-L61 WeakPolarHBondContact O-CG 3.38Å; M57-L61 PolarHBondContact O-N 3.11Å; M57-L61 HydrophobicContact SD-CD1 4.45Å; L61-R63 PolarHBondContact O-N 3.49Å; L61-G64 PolarHBondContact O-N 2.98Å; L61-G64 VanDerWaalsContact O-N 3.13Å; L61-V67 HydrophobicContact CD2-CG2 3.7Å; L61-L100 HydrophobicContact CD1-CD2 3.9Å; L61-L100 HydrophobicContact CD2-CD2 3.96Å; L61-L100 HydrophobicContact CG-CD2 4.42Å
62K89.2Confident88.6Confident179 Ų17951.2 Ų51.278%0.77825%0.247SC*.Hα-helixtrans-62.3-22.1173.6-78.9177.6-178.7179.70113.2R58 L59 L60R58-K62 WeakPolarHBondContact O-CG 3.41Å; R58-K62 PolarHBondContact O-N 3.14Å; L59-K62 PolarHBondContact O-N 3.49Å; L60-K62 VanDerWaalsContact C-N 3.34Å; L60-K62 PolarHBondContact O-N 3.45Å
63R87.4Confident88.4Confident96 Ų9653.8 Ų53.836%0.36225%0.254SS..THydrogen-bonded Turntrans-96.811.8178-69.8-60.9-169.3115.30.6113.8L25 V33 L59 L60 L61L25-R63 HydrophobicContact CD1-CG 4.29Å; L25-R63 VanDerWaalsContact O-CZ 3.31Å; L25-R63 PolarHBondContact O-NH1 3.39Å; L25-R63 PolarHBondContact O-NH2 3.14Å; V33-R63 HydrophobicContact CG1-CB 4.36Å; L59-R63 PolarHBondContact O-N 2.95Å; L60-R63 CarbonylContact O-C 3.57Å; L60-R63 WeakPolarHBondContact O-CA 2.98Å; L60-R63 PolarHBondContact O-N 2.93Å; L61-R63 PolarHBondContact O-N 3.49Å
64G85.8Confident88.4Confident50 Ų5052.4 Ų52.452%0.51525%0.248SC..THydrogen-bonded Turntrans80.230.2175.900000113.6N34 L60 L61 D66N34-G64 PolarHBondContact ND2-O 3.31Å; L60-G64 PolarHBondContact O-N 3.39Å; L61-G64 PolarHBondContact O-N 2.98Å; L61-G64 VanDerWaalsContact O-N 3.13Å; G64-D66 PolarHBondContact O-N 3.34Å
65A89.2Confident88.4Confident12 Ų1251.3 Ų51.310%0.09924%0.242CC..  trans-62131.1171.600000111.1V33 N34 L45 L60 V67V33-A65 HydrophobicContact CG2-CB 4.13Å; N34-A65 VanDerWaalsContact OD1-CA 3.31Å; N34-A65 WeakPolarHBondContact OD1-CA 3.48Å; L45-A65 HydrophobicContact CB-CB 4.13Å; L45-A65 HydrophobicContact CD1-CB 4.43Å; L45-A65 HydrophobicContact CD2-CB 4.14Å; L45-A65 HydrophobicContact CG-CB 4.47Å; L60-A65 HydrophobicContact CB-CB 4.02Å; L60-A65 VanDerWaalsContact O-CB 3.23Å; L60-A65 WeakPolarHBondContact O-CB 3.27Å; L60-A65 PolarHBondContact O-N 3.04Å; L60-A65 VanDerWaalsContact O-N 3.12Å; A65-V67 PolarHBondContact O-N 3.49Å
66D87.1Confident88.5Confident65 Ų6549.8 Ų49.835%0.34823%0.229SC..  trans-76.2117.7-179.3-177.914.2000110.7N34 G64 L68N34-D66 PolarHBondContact OD1-N 3.03Å; G64-D66 PolarHBondContact O-N 3.34Å; D66-L68 WeakPolarHBondContact OD1-CB 3.33Å; D66-L68 PolarHBondContact OD1-N 3.2Å
67V87.1Confident88.5Confident2 Ų249.8 Ų49.81%0.01223%0.229CC..THydrogen-bonded Turntrans-78-25.3179.5-175.20000111.2L45 L61 A65 H69 A77 L100 C104 A107L45-V67 HydrophobicContact CD2-CG2 4.05Å; L61-V67 HydrophobicContact CD2-CG2 3.7Å; A65-V67 PolarHBondContact O-N 3.49Å; V67-H69 VanDerWaalsContact C-N 3.28Å; V67-H69 PolarHBondContact O-N 3.2Å; V67-A77 HydrophobicContact CG1-CB 4.34Å; V67-L100 HydrophobicContact CG1-CD2 4.23Å; V67-L100 HydrophobicContact CG2-CD2 4.31Å; V67-C104 HydrophobicContact CB-CB 4Å; V67-C104 HydrophobicContact CG1-CB 4.1Å; V67-C104 HydrophobicContact CG2-CB 4.27Å; V67-A107 HydrophobicContact CG1-CB 4.02Å
68L86.3Confident88.4Confident70 Ų7049.8 Ų49.837%0.36623%0.229SC..THydrogen-bonded Turntrans-83.9-2.7-179.1-64.2174.1000112.8D66 R70 A107D66-L68 WeakPolarHBondContact OD1-CB 3.33Å; D66-L68 PolarHBondContact OD1-N 3.2Å; L68-R70 WeakPolarHBondContact O-CG 3.47Å; L68-R70 PolarHBondContact O-N 3.49Å; L68-A107 HydrophobicContact CD2-CB 3.58Å
69H88.1Confident88.4Confident36 Ų3645.4 Ų45.417%0.16721%0.213CC..  trans-56.5134.6176.5-163.481.2000110.6Q46 V67 T76Q46-H69 PolarHBondContact NE2-O 3.37Å; V67-H69 VanDerWaalsContact C-N 3.28Å; V67-H69 PolarHBondContact O-N 3.2Å; H69-T76 WeakPolarHBondContact O-CA 3.5Å
70R89.3Confident88.2Confident118 Ų11844.9 Ų44.945%0.44521%0.21SC..  trans-110.1127.4-176.2-65.2176.993.8175.40.1110.6L68 G74 N75 T76 P111L68-R70 WeakPolarHBondContact O-CG 3.47Å; L68-R70 PolarHBondContact O-N 3.49Å; R70-G74 PolarHBondContact NE-O 3.02Å; R70-N75 WeakPolarHBondContact CA-O 3.31Å; R70-T76 HydrophobicContact CG-CG2 4.28Å; R70-P111 PolarHBondContact NH2-O 3.38Å
71D88.4Confident88.1Confident5 Ų544.9 Ų44.93%0.02721%0.21CC..  trans-77.4-171.5176.382.1-1.5000112M40 R42 W73 G74 N75M40-D71 WeakPolarHBondContact O-CB 3.44Å; R42-D71 HydrophobicContact CG-CB 4.01Å; R42-D71 IonicContact NE-OD2 2.83Å; D71-W73 PolarHBondContact O-N 2.8Å; D71-W73 WeakPolarHBondContact OD1-CA 3.44Å; D71-W73 PolarHBondContact OD1-N 2.88Å; D71-G74 PolarHBondContact O-N 3.24Å; D71-G74 PolarHBondContact OD1-N 3.27Å; D71-N75 PolarHBondContact N-O 2.91Å; D71-N75 WeakPolarHBondContact OD1-CB 3.44Å; D71-N75 PolarHBondContact OD1-N 3.21Å
72R88.3Confident88Confident127 Ų12743.8 Ų43.848%0.47920%0.204SC..THydrogen-bonded Turntrans-56.1-31.8179178.4178.7-68.5-90.9-0113.4K39 M40 G74 K113K39-R72 VanDerWaalsContact O-CZ 3.28Å; K39-R72 PolarHBondContact O-NE 2.9Å; K39-R72 PolarHBondContact O-NH2 2.98Å; M40-R72 WeakPolarHBondContact O-CB 3.36Å; M40-R72 PolarHBondContact O-N 2.82Å; R72-G74 VanDerWaalsContact C-N 3.34Å; R72-K113 VanDerWaalsContact O-CE 3.26Å; R72-K113 WeakPolarHBondContact O-CE 3.17Å; R72-K113 PolarHBondContact O-NZ 3.45Å
73W83.8Confident87.8Confident111 Ų11138.4 Ų38.442%0.4218%0.184SC..THydrogen-bonded Turntrans-94.97.1-180-59.3-79.5000112.7M40 D71 N75 K113M40-W73 HydrophobicContact CB-CE3 4.5Å; M40-W73 HydrophobicContact CB-CH2 4.24Å; M40-W73 HydrophobicContact CB-CZ3 3.75Å; M40-W73 HydrophobicContact CE-CH2 3.25Å; M40-W73 HydrophobicContact CE-CZ2 3.66Å; M40-W73 HydrophobicContact CE-CZ3 4.25Å; M40-W73 HydrophobicContact CG-CH2 3.55Å; M40-W73 HydrophobicContact CG-CZ3 3.56Å; M40-W73 HydrophobicContact SD-CH2 3.06Å; M40-W73 WeakPolarHBondContact SD-CH2 3.48Å; M40-W73 HydrophobicContact SD-CZ2 3.52Å; M40-W73 VanDerWaalsContact SD-CZ2 3.52Å; M40-W73 HydrophobicContact SD-CZ3 3.59Å; M40-W73 VanDerWaalsContact SD-CZ3 3.59Å; D71-W73 PolarHBondContact O-N 2.8Å; D71-W73 WeakPolarHBondContact OD1-CA 3.44Å; D71-W73 PolarHBondContact OD1-N 2.88Å; W73-N75 PolarHBondContact O-N 2.9Å; W73-K113 VanDerWaalsContact O-CB 3.23Å; W73-K113 WeakPolarHBondContact O-CB 3.47Å; W73-K113 WeakPolarHBondContact O-CG 3.5Å; W73-K113 PolarHBondContact O-N 3.36Å
74G86.8Confident87.6Confident3 Ų335.4 Ų35.43%0.03118%0.175CC..SBendtrans776.9-176.800000113.2R70 D71 R72R70-G74 PolarHBondContact NE-O 3.02Å; D71-G74 PolarHBondContact O-N 3.24Å; D71-G74 PolarHBondContact OD1-N 3.27Å; R72-G74 VanDerWaalsContact C-N 3.34Å
75N89.1Confident87.4Confident31 Ų3133.6 Ų33.617%0.16615%0.154CC..  trans-73135.4179.9-67.5-33.7000109.7Q46 R70 D71 W73 H79 N112Q46-N75 PolarHBondContact NE2-O 3.41Å; R70-N75 WeakPolarHBondContact CA-O 3.31Å; D71-N75 PolarHBondContact N-O 2.91Å; D71-N75 WeakPolarHBondContact OD1-CB 3.44Å; D71-N75 PolarHBondContact OD1-N 3.21Å; W73-N75 PolarHBondContact O-N 2.9Å; N75-H79 HydrophobicContact CB-CB 3.81Å; N75-N112 WeakPolarHBondContact OD1-CB 3.44Å; N75-N112 PolarHBondContact OD1-ND2 3.15Å
76T90.6Very high86.6Confident1 Ų137 Ų371%0.00617%0.167CC..  trans-87.9174.3169.364.10000110.6H69 R70 L78 H79 I80 A110H69-T76 WeakPolarHBondContact O-CA 3.5Å; R70-T76 HydrophobicContact CG-CG2 4.28Å; T76-L78 PolarHBondContact O-N 2.95Å; T76-H79 PolarHBondContact N-ND1 2.88Å; T76-H79 PolarHBondContact O-N 3.31Å; T76-H79 PolarHBondContact OG1-ND1 2.8Å; T76-I80 PolarHBondContact O-N 2.86Å; T76-A110 HydrophobicContact CG2-CB 4.24Å
77A89.7Confident86Confident0 Ų038.3 Ų38.30%018%0.178CC..Hα-helixtrans-57.6-34.5174.300000112.2L45 Q46 V67 I80 A81 L100L45-A77 HydrophobicContact CD2-CB 4.02Å; L45-A77 HydrophobicContact CG-CB 4.23Å; Q46-A77 HydrophobicContact CG-CB 4.28Å; V67-A77 HydrophobicContact CG1-CB 4.34Å; A77-I80 PolarHBondContact O-N 3.38Å; A77-A81 PolarHBondContact O-N 3.5Å; A77-L100 HydrophobicContact CB-CD1 4.17Å; A77-L100 HydrophobicContact CB-CD2 4.33Å
78L90.2Very high85.3Confident0 Ų042.2 Ų42.20%020%0.198CC..Hα-helixtrans-67-38.1176.6-77.3175.4000113.5T76 I80 A81 A82 F97 L100 A107 L108 P118T76-L78 PolarHBondContact O-N 2.95Å; L78-I80 VanDerWaalsContact C-N 3.29Å; L78-I80 PolarHBondContact O-N 3.39Å; L78-A81 PolarHBondContact O-N 3.26Å; L78-A82 WeakPolarHBondContact O-CB 3.48Å; L78-A82 PolarHBondContact O-N 3.31Å; L78-F97 HydrophobicContact CB-CE2 4.45Å; L78-F97 HydrophobicContact CD2-CD2 3.95Å; L78-F97 HydrophobicContact CD2-CE2 3.94Å; L78-F97 HydrophobicContact CD2-CG 4.35Å; L78-F97 HydrophobicContact CD2-CZ 4.34Å; L78-L100 HydrophobicContact CD2-CB 3.47Å; L78-L100 VanDerWaalsContact CD2-CB 3.47Å; L78-L100 HydrophobicContact CD2-CD1 4.38Å; L78-L100 HydrophobicContact CG-CB 4.17Å; L78-A107 HydrophobicContact CD1-CB 3.5Å; L78-A107 HydrophobicContact CG-CB 4.35Å; L78-L108 HydrophobicContact CD1-CD2 3.92Å; L78-L108 HydrophobicContact CD1-CG 4.06Å; L78-P118 HydrophobicContact CB-CB 3.87Å; L78-P118 HydrophobicContact CB-CG 3.82Å
79H88.8Confident84.6Confident5 Ų540.3 Ų40.32%0.02320%0.195CC..Hα-helixtrans-62.7-39.6175-67.890.4000111.6N75 T76 N83 A110 L116 P118N75-H79 HydrophobicContact CB-CB 3.81Å; T76-H79 PolarHBondContact N-ND1 2.88Å; T76-H79 PolarHBondContact O-N 3.31Å; T76-H79 PolarHBondContact OG1-ND1 2.8Å; H79-N83 WeakPolarHBondContact O-CB 3.31Å; H79-N83 PolarHBondContact O-N 2.93Å; H79-A110 PolarHBondContact CE1-O 3Å; H79-A110 PolarHBondContact NE2-O 3.09Å; H79-L116 PolarHBondContact NE2-O 3.48Å; H79-P118 WeakPolarHBondContact NE2-CD 3.47Å
80I88.1Confident83.6Confident9 Ų947.8 Ų47.85%0.04623%0.227CC..Hα-helixtrans-67.8-46.4177.6-65.8166.8000109.5Q46 C49 T76 A77 L78 A82 N83 M84Q46-I80 HydrophobicContact CB-CD1 3.54Å; Q46-I80 HydrophobicContact CG-CD1 3.77Å; C49-I80 HydrophobicContact CB-CB 4.36Å; C49-I80 HydrophobicContact CB-CG2 3.81Å; T76-I80 PolarHBondContact O-N 2.86Å; A77-I80 PolarHBondContact O-N 3.38Å; L78-I80 VanDerWaalsContact C-N 3.29Å; L78-I80 PolarHBondContact O-N 3.39Å; I80-A82 VanDerWaalsContact C-N 3.33Å; I80-A82 PolarHBondContact O-N 3.32Å; I80-N83 PolarHBondContact O-N 3.37Å; I80-M84 HydrophobicContact CG2-CG 4.25Å; I80-M84 VanDerWaalsContact O-CG 3.28Å; I80-M84 WeakPolarHBondContact O-CG 3.42Å; I80-M84 PolarHBondContact O-N 2.96Å
81A88.1Confident82.8Confident0 Ų046.7 Ų46.70%023%0.234CC..Hα-helixtrans-59.7-41.5176.900000112.4A77 L78 M84 A85 L96 F97 L100A77-A81 PolarHBondContact O-N 3.5Å; L78-A81 PolarHBondContact O-N 3.26Å; A81-M84 PolarHBondContact O-N 2.95Å; A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 3.14Å; A81-L96 HydrophobicContact CB-CB 4.05Å; A81-F97 HydrophobicContact CB-CB 4.36Å; A81-F97 HydrophobicContact CB-CD2 4.14Å; A81-L100 HydrophobicContact CB-CD1 4.02Å
82A86.4Confident82.2Confident0 Ų046.9 Ų46.90%024%0.235CC..Hα-helixtrans-58.9-47.9173.900000112L78 I80 M84 A85 F86 F97 V121 L122L78-A82 WeakPolarHBondContact O-CB 3.48Å; L78-A82 PolarHBondContact O-N 3.31Å; I80-A82 VanDerWaalsContact C-N 3.33Å; I80-A82 PolarHBondContact O-N 3.32Å; A82-M84 PolarHBondContact O-N 2.93Å; A82-A85 PolarHBondContact O-N 3.17Å; A82-F86 PolarHBondContact O-N 3.24Å; A82-F97 HydrophobicContact CB-CD2 4.31Å; A82-F97 HydrophobicContact CB-CE2 4.04Å; A82-V121 HydrophobicContact CB-CB 4.49Å; A82-V121 HydrophobicContact CB-CG1 4.17Å; A82-L122 HydrophobicContact CB-CD1 4.36Å; A82-L122 HydrophobicContact CB-CD2 3.8Å; A82-L122 HydrophobicContact CB-CG 3.7Å
83N85.4Confident81.7Confident66 Ų6644.4 Ų44.435%0.35323%0.226SC..Hα-helixtrans-64.9-37.3178-174.586.3000112.5H79 I80 V87H79-N83 WeakPolarHBondContact O-CB 3.31Å; H79-N83 PolarHBondContact O-N 2.93Å; I80-N83 PolarHBondContact O-N 3.37Å; N83-V87 WeakPolarHBondContact O-CG2 3.4Å; N83-V87 PolarHBondContact O-N 3.48Å
84M82.9Confident81.6Confident33 Ų3344.6 Ų44.616%0.16323%0.232CC..Hα-helixtrans-72.4-36.9177.5-61.6-53.9-68.400112.1S50 E52 I80 A81 A82 F86 V87 N88 V92S50-M84 WeakPolarHBondContact O-CE 3.44Å; E52-M84 HydrophobicContact CG-CB 4.48Å; E52-M84 HydrophobicContact CG-CE 3.85Å; E52-M84 WeakPolarHBondContact OE1-CE 3.25Å; I80-M84 HydrophobicContact CG2-CG 4.25Å; I80-M84 VanDerWaalsContact O-CG 3.28Å; I80-M84 WeakPolarHBondContact O-CG 3.42Å; I80-M84 PolarHBondContact O-N 2.96Å; A81-M84 PolarHBondContact O-N 2.95Å; A82-M84 PolarHBondContact O-N 2.93Å; M84-F86 PolarHBondContact O-N 3.3Å; M84-V87 PolarHBondContact O-N 3.41Å; M84-V87 VanDerWaalsContact O-N 3.11Å; M84-N88 PolarHBondContact O-N 3.03Å; M84-V92 HydrophobicContact CB-CG1 3.98Å
85A81.3Confident81.4Confident11 Ų1148 Ų489%0.09125%0.25CC..Hα-helixtrans-59.8-30.2174.900000112.9A81 A82 G89 Y93A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 3.14Å; A82-A85 PolarHBondContact O-N 3.17Å; A85-G89 CarbonylContact O-C 3.5Å; A85-G89 VanDerWaalsContact O-CA 3.3Å; A85-G89 WeakPolarHBondContact O-CA 3.37Å; A85-G89 PolarHBondContact O-N 2.94Å; A85-Y93 HydrophobicContact CB-CD2 4.31Å
86F73.4Confident81.1Confident83 Ų8346.7 Ų46.736%0.36424%0.242SC..Hα-helixtrans-69.7-47.2171.7175.8-100.5000112.7A82 M84 M125 Q129A82-F86 PolarHBondContact O-N 3.24Å; M84-F86 PolarHBondContact O-N 3.3Å; F86-M125 HydrophobicContact CB-SD 4.02Å; F86-M125 HydrophobicContact CD1-SD 4.06Å; F86-M125 HydrophobicContact CD2-CB 3.68Å; F86-M125 HydrophobicContact CD2-CG 4.5Å; F86-M125 HydrophobicContact CD2-SD 4.4Å; F86-M125 HydrophobicContact CE2-CB 3.89Å; F86-M125 WeakPolarHBondContact CE2-O 3.39Å; F86-M125 HydrophobicContact CG-CB 4.16Å; F86-M125 HydrophobicContact CG-SD 3.9Å; F86-Q129 HydrophobicContact CE2-CG 4.03Å
87V74.8Confident80.8Confident94 Ų9446.8 Ų46.857%0.5724%0.243SC*.Hα-helixtrans-72-39.5-174.7-175.30000111.7N83 M84N83-V87 WeakPolarHBondContact O-CG2 3.4Å; N83-V87 PolarHBondContact O-N 3.48Å; M84-V87 PolarHBondContact O-N 3.41Å; M84-V87 VanDerWaalsContact O-N 3.11Å
88N72.6Confident80.6Confident84 Ų8449.4 Ų49.445%0.44926%0.259SS..Hα-helixtrans-112.70.5-169.9-74.518.1000114E52 M84 V92E52-N88 VanDerWaalsContact OE1-CB 3.27Å; E52-N88 WeakPolarHBondContact OE1-CB 3.33Å; E52-N88 PolarHBondContact OE1-ND2 3.3Å; E52-N88 PolarHBondContact OE2-ND2 2.92Å; M84-N88 PolarHBondContact O-N 3.03Å; N88-V92 HydrophobicContact CB-CG2 3.75Å
89G69.8Low80.3Confident29 Ų2950.4 Ų50.430%0.29927%0.265SS..  trans93.9-176.3168.800000116.1A85 T91 V92A85-G89 CarbonylContact O-C 3.5Å; A85-G89 VanDerWaalsContact O-CA 3.3Å; A85-G89 WeakPolarHBondContact O-CA 3.37Å; A85-G89 PolarHBondContact O-N 2.94Å; G89-T91 PolarHBondContact O-N 3.26Å; G89-T91 VanDerWaalsContact O-N 3.13Å; G89-V92 PolarHBondContact O-N 3.48Å
90K68.2Low80.2Confident193 Ų19350.2 Ų50.284%0.83926%0.264SS*.Hα-helixtrans-60.7-23.6-170-67.2-177-180179.70115Y93 E94K90-Y93 WeakPolarHBondContact O-CB 3.48Å; K90-Y93 PolarHBondContact O-N 3.2Å; K90-E94 PolarHBondContact O-N 3.4Å
91T73.1Confident80.1Confident95 Ų9554.3 Ų54.358%0.58328%0.282SS*.Hα-helixtrans-66.2-40.2179.548.30000111.8G89 Y93 E94 D95G89-T91 PolarHBondContact O-N 3.26Å; G89-T91 VanDerWaalsContact O-N 3.13Å; T91-Y93 VanDerWaalsContact C-N 3.26Å; T91-Y93 PolarHBondContact O-N 3.06Å; T91-E94 PolarHBondContact O-N 3.24Å; T91-D95 PolarHBondContact O-N 3.1Å; T91-D95 VanDerWaalsContact O-N 3.08Å
92V74.6Confident80Confident10 Ų1063.1 Ų63.16%0.06132%0.32CS..Hα-helixtrans-68.5-27.9179.4-179.20000111.8E52 M84 N88 G89 L96E52-V92 HydrophobicContact CG-CG1 4.26Å; M84-V92 HydrophobicContact CB-CG1 3.98Å; N88-V92 HydrophobicContact CB-CG2 3.75Å; G89-V92 PolarHBondContact O-N 3.48Å; V92-L96 HydrophobicContact CG1-CD1 3.47Å; V92-L96 VanDerWaalsContact CG1-CD1 3.47Å; V92-L96 HydrophobicContact CG1-CG 4.06Å; V92-L96 WeakPolarHBondContact O-CB 3.46Å; V92-L96 PolarHBondContact O-N 3.49Å
93Y78.5Confident79.8Confident74 Ų7469.8 Ų69.829%0.2935%0.349SS..Iπ-helixtrans-62.9-50.3173-175.1-91.9000111.7A85 K90 T91 D95 F97 V98 L122A85-Y93 HydrophobicContact CB-CD2 4.31Å; K90-Y93 WeakPolarHBondContact O-CB 3.48Å; K90-Y93 PolarHBondContact O-N 3.2Å; T91-Y93 VanDerWaalsContact C-N 3.26Å; T91-Y93 PolarHBondContact O-N 3.06Å; Y93-D95 VanDerWaalsContact C-N 3.34Å; Y93-D95 PolarHBondContact O-N 2.99Å; Y93-F97 HydrophobicContact CD2-CB 3.91Å; Y93-F97 HydrophobicContact CD2-CD1 4.07Å; Y93-F97 HydrophobicContact CD2-CG 4Å; Y93-F97 HydrophobicContact CE1-CD1 4.42Å; Y93-F97 HydrophobicContact CE2-CB 4.16Å; Y93-F97 AromaticContact CE2-CD1 3.42Å; Y93-F97 HydrophobicContact CE2-CD1 3.42Å; Y93-F97 VanDerWaalsContact CE2-CD1 3.42Å; Y93-F97 AromaticContact CE2-CE1 3.86Å; Y93-F97 HydrophobicContact CE2-CE1 3.86Å; Y93-F97 AromaticContact CE2-CG 3.79Å; Y93-F97 HydrophobicContact CE2-CG 3.79Å; Y93-F97 HydrophobicContact CG-CB 4.27Å; Y93-F97 AromaticContact CZ-CD1 3.63Å; Y93-F97 WeakPolarHBondContact O-CA 3.47Å; Y93-F97 WeakPolarHBondContact O-CB 3.32Å; Y93-F97 PolarHBondContact O-N 2.89Å; Y93-V98 HydrophobicContact CD1-CG2 4.14Å; Y93-V98 HydrophobicContact CE1-CG2 3.91Å; Y93-V98 PolarHBondContact O-N 2.89Å; Y93-V98 VanDerWaalsContact O-N 3.1Å; Y93-L122 HydrophobicContact CE2-CD1 3.83Å
94E81Confident79.5Confident115 Ų11568.3 Ų68.354%0.53734%0.344SS..Iπ-helixtrans-66.5-36.5179-67.6-61.8155.700112.1K90 T91 P99K90-E94 PolarHBondContact O-N 3.4Å; T91-E94 PolarHBondContact O-N 3.24Å; E94-P99 VanDerWaalsContact O-CD 3.32Å; E94-P99 WeakPolarHBondContact O-CD 3.39Å
95D83.1Confident79.3Confident76 Ų7670.6 Ų70.641%0.40636%0.361SS..Iπ-helixtrans-82.6-33.3-173.8-71.4-29.2000113.9D54 M57 T91 Y93 P99D54-D95 HydrophobicContact CB-CB 4.21Å; M57-D95 WeakPolarHBondContact CE-O 3.49Å; T91-D95 PolarHBondContact O-N 3.1Å; T91-D95 VanDerWaalsContact O-N 3.08Å; Y93-D95 VanDerWaalsContact C-N 3.34Å; Y93-D95 PolarHBondContact O-N 2.99Å; D95-P99 WeakPolarHBondContact O-CG 3.41Å
96L82.9Confident79.2Confident2 Ų277 Ų771%0.0139%0.389CS..Iπ-helixtrans-110.8-49.2-177.2-56-179.7000112.8E52 D54 M57 A81 V92 L100E52-L96 HydrophobicContact CB-CD1 4.41Å; E52-L96 HydrophobicContact CG-CD1 4.31Å; D54-L96 HydrophobicContact CB-CD2 4.13Å; M57-L96 HydrophobicContact CE-CD2 4Å; M57-L96 HydrophobicContact SD-CB 4.25Å; M57-L96 HydrophobicContact SD-CD2 3.64Å; A81-L96 HydrophobicContact CB-CB 4.05Å; V92-L96 HydrophobicContact CG1-CD1 3.47Å; V92-L96 VanDerWaalsContact CG1-CD1 3.47Å; V92-L96 HydrophobicContact CG1-CG 4.06Å; V92-L96 WeakPolarHBondContact O-CB 3.46Å; V92-L96 PolarHBondContact O-N 3.49Å; L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 VanDerWaalsContact O-CD1 3.28Å; L96-L100 WeakPolarHBondContact O-CD1 3.39Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 3.21Å
97F84.4Confident79.5Confident4 Ų473.1 Ų73.12%0.01837%0.372CS..Iπ-helixtrans-72.7-46.8-170.5-167-89000111.7L78 A81 A82 Y93 L100 K101 L108 P118 L122L78-F97 HydrophobicContact CB-CE2 4.45Å; L78-F97 HydrophobicContact CD2-CD2 3.95Å; L78-F97 HydrophobicContact CD2-CE2 3.94Å; L78-F97 HydrophobicContact CD2-CG 4.35Å; L78-F97 HydrophobicContact CD2-CZ 4.34Å; A81-F97 HydrophobicContact CB-CB 4.36Å; A81-F97 HydrophobicContact CB-CD2 4.14Å; A82-F97 HydrophobicContact CB-CD2 4.31Å; A82-F97 HydrophobicContact CB-CE2 4.04Å; Y93-F97 HydrophobicContact CD2-CB 3.91Å; Y93-F97 HydrophobicContact CD2-CD1 4.07Å; Y93-F97 HydrophobicContact CD2-CG 4Å; Y93-F97 HydrophobicContact CE1-CD1 4.42Å; Y93-F97 HydrophobicContact CE2-CB 4.16Å; Y93-F97 AromaticContact CE2-CD1 3.42Å; Y93-F97 HydrophobicContact CE2-CD1 3.42Å; Y93-F97 VanDerWaalsContact CE2-CD1 3.42Å; Y93-F97 AromaticContact CE2-CE1 3.86Å; Y93-F97 HydrophobicContact CE2-CE1 3.86Å; Y93-F97 AromaticContact CE2-CG 3.79Å; Y93-F97 HydrophobicContact CE2-CG 3.79Å; Y93-F97 HydrophobicContact CG-CB 4.27Å; Y93-F97 AromaticContact CZ-CD1 3.63Å; Y93-F97 WeakPolarHBondContact O-CA 3.47Å; Y93-F97 WeakPolarHBondContact O-CB 3.32Å; Y93-F97 PolarHBondContact O-N 2.89Å; F97-L100 PolarHBondContact O-N 2.72Å; F97-K101 HydrophobicContact CE1-CD 4.27Å; F97-K101 VanDerWaalsContact O-CB 3.32Å; F97-K101 WeakPolarHBondContact O-CB 3.3Å; F97-K101 PolarHBondContact O-N 2.9Å; F97-L108 HydrophobicContact CE1-CD2 4.25Å; F97-L108 HydrophobicContact CZ-CD2 3.8Å; F97-P118 HydrophobicContact CE2-CB 4.41Å; F97-L122 HydrophobicContact CD2-CD1 4.46Å; F97-L122 HydrophobicContact CE1-CD1 4.16Å; F97-L122 HydrophobicContact CE2-CD1 3.83Å; F97-L122 HydrophobicContact CZ-CD1 3.65Å
98V85.6Confident79.7Confident54 Ų5469.7 Ų69.733%0.32735%0.35SS..Hα-helixtrans-61.2-46.6-179.5173.80000112.5Y93 L100 K101 K102Y93-V98 HydrophobicContact CD1-CG2 4.14Å; Y93-V98 HydrophobicContact CE1-CG2 3.91Å; Y93-V98 PolarHBondContact O-N 2.89Å; Y93-V98 VanDerWaalsContact O-N 3.1Å; V98-L100 PolarHBondContact O-N 3.49Å; V98-K101 PolarHBondContact O-N 2.87Å; V98-K102 WeakPolarHBondContact O-CB 3.44Å; V98-K102 PolarHBondContact O-N 3.47Å
99P84.3Confident80.2Confident22 Ų2271.8 Ų71.814%0.14336%0.361CS..Hα-helixtrans-64.9-37.3177.8-26.738.3000113.7M57 E94 D95 K103M57-P99 HydrophobicContact CE-CB 4.08Å; M57-P99 HydrophobicContact CE-CG 4.32Å; E94-P99 VanDerWaalsContact O-CD 3.32Å; E94-P99 WeakPolarHBondContact O-CD 3.39Å; D95-P99 WeakPolarHBondContact O-CG 3.41Å; P99-K103 WeakPolarHBondContact O-CB 3.48Å; P99-K103 PolarHBondContact O-N 3.32Å; P99-K103 VanDerWaalsContact O-N 3.16Å
100L85.6Confident80.9Confident0 Ų071.4 Ų71.40%036%0.356CS..Hα-helixtrans-67.7-44.5176.6-70.8170000111.3L45 M57 L61 V67 A77 L78 A81 L96 F97 V98 K102 K103 C104L45-L100 HydrophobicContact CD1-CD2 4.45Å; L45-L100 HydrophobicContact CD2-CD2 4.27Å; M57-L100 HydrophobicContact SD-CD1 4.02Å; M57-L100 HydrophobicContact SD-CD2 4.16Å; M57-L100 HydrophobicContact SD-CG 3.88Å; L61-L100 HydrophobicContact CD1-CD2 3.9Å; L61-L100 HydrophobicContact CD2-CD2 3.96Å; L61-L100 HydrophobicContact CG-CD2 4.42Å; V67-L100 HydrophobicContact CG1-CD2 4.23Å; V67-L100 HydrophobicContact CG2-CD2 4.31Å; A77-L100 HydrophobicContact CB-CD1 4.17Å; A77-L100 HydrophobicContact CB-CD2 4.33Å; L78-L100 HydrophobicContact CD2-CB 3.47Å; L78-L100 VanDerWaalsContact CD2-CB 3.47Å; L78-L100 HydrophobicContact CD2-CD1 4.38Å; L78-L100 HydrophobicContact CG-CB 4.17Å; A81-L100 HydrophobicContact CB-CD1 4.02Å; L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 VanDerWaalsContact O-CD1 3.28Å; L96-L100 WeakPolarHBondContact O-CD1 3.39Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 3.21Å; F97-L100 PolarHBondContact O-N 2.72Å; V98-L100 PolarHBondContact O-N 3.49Å; L100-K102 PolarHBondContact O-N 3.43Å; L100-K103 PolarHBondContact O-N 3.49Å; L100-C104 PolarHBondContact O-N 3.38Å
101K86.3Confident81.8Confident95 Ų9564.9 Ų64.941%0.41333%0.333SS..Hα-helixtrans-59.6-45.4175.2172.2171.7177.8179.80111.8F97 V98 K103 C104 L108F97-K101 HydrophobicContact CE1-CD 4.27Å; F97-K101 VanDerWaalsContact O-CB 3.32Å; F97-K101 WeakPolarHBondContact O-CB 3.3Å; F97-K101 PolarHBondContact O-N 2.9Å; V98-K101 PolarHBondContact O-N 2.87Å; K101-K103 PolarHBondContact O-N 2.99Å; K101-C104 CarbonylContact O-C 3.51Å; K101-L108 HydrophobicContact CD-CD1 4.03Å; K101-L108 HydrophobicContact CG-CD1 3.97Å
102K85.9Confident82.4Confident186 Ų18661.3 Ų61.381%0.80931%0.311SS*.Hα-helixtrans-61.5-33.9177.8-176.7173.6-178.4172.60112.2V98 L100V98-K102 WeakPolarHBondContact O-CB 3.44Å; V98-K102 PolarHBondContact O-N 3.47Å; L100-K102 PolarHBondContact O-N 3.43Å
103K81.4Confident83.1Confident139 Ų13968.4 Ų68.460%0.60434%0.34SS*.Hα-helixtrans-81.7-41.3-176.6-162.865.4176.8172.60112.5P99 L100 K101P99-K103 WeakPolarHBondContact O-CB 3.48Å; P99-K103 PolarHBondContact O-N 3.32Å; P99-K103 VanDerWaalsContact O-N 3.16Å; L100-K103 PolarHBondContact O-N 3.49Å; K101-K103 PolarHBondContact O-N 2.99Å
104C79.6Confident83.3Confident36 Ų3668.5 Ų68.524%0.24336%0.357CS..  trans-139.189.8179.4-66.70000110.5V67 L100 K101 E106 A107V67-C104 HydrophobicContact CB-CB 4Å; V67-C104 HydrophobicContact CG1-CB 4.1Å; V67-C104 HydrophobicContact CG2-CB 4.27Å; L100-C104 PolarHBondContact O-N 3.38Å; K101-C104 CarbonylContact O-C 3.51Å; C104-E106 PolarHBondContact O-N 2.95Å; C104-A107 HydrophobicContact CB-CB 4.3Å; C104-A107 WeakPolarHBondContact O-CB 3.42Å; C104-A107 PolarHBondContact O-N 3.18Å
105P79.6Confident83.5Confident81 Ų8165.4 Ų65.453%0.52636%0.356SS..G310 helixtrans-67-27.8176.826.9-34000112.3A107 L108P105-A107 PolarHBondContact O-N 3Å; P105-L108 VanDerWaalsContact O-CB 3.27Å; P105-L108 WeakPolarHBondContact O-CB 3.45Å; P105-L108 WeakPolarHBondContact O-CG 3.23Å; P105-L108 PolarHBondContact O-N 2.82Å; P105-L108 VanDerWaalsContact O-N 3.07Å
106E78.6Confident83.6Confident146 Ų14664.4 Ų64.468%0.68235%0.35SS*.G310 helixtrans-59.1-27.9177.4-64.4175.4179.900113C104 L108 N109C104-E106 PolarHBondContact O-N 2.95Å; E106-L108 PolarHBondContact O-N 2.8Å; E106-N109 PolarHBondContact O-N 3.09Å
107A78.6Confident83.9Confident0 Ų065.7 Ų65.70%036%0.358CS..G310 helixtrans-69.3-13.5179.400000113.2V67 L68 L78 C104 P105 N109 P118V67-A107 HydrophobicContact CG1-CB 4.02Å; L68-A107 HydrophobicContact CD2-CB 3.58Å; L78-A107 HydrophobicContact CD1-CB 3.5Å; L78-A107 HydrophobicContact CG-CB 4.35Å; C104-A107 HydrophobicContact CB-CB 4.3Å; C104-A107 WeakPolarHBondContact O-CB 3.42Å; C104-A107 PolarHBondContact O-N 3.18Å; P105-A107 PolarHBondContact O-N 3Å; A107-N109 VanDerWaalsContact C-N 3.33Å; A107-P118 WeakPolarHBondContact O-CG 3.41Å
108L80.8Confident83.9Confident22 Ų2265.5 Ų65.512%0.11536%0.357CS..G310 helixtrans-71.5-26.1174.3-70.3170.2000113L78 F97 K101 P105 E106 P118L78-L108 HydrophobicContact CD1-CD2 3.92Å; L78-L108 HydrophobicContact CD1-CG 4.06Å; F97-L108 HydrophobicContact CE1-CD2 4.25Å; F97-L108 HydrophobicContact CZ-CD2 3.8Å; K101-L108 HydrophobicContact CD-CD1 4.03Å; K101-L108 HydrophobicContact CG-CD1 3.97Å; P105-L108 VanDerWaalsContact O-CB 3.27Å; P105-L108 WeakPolarHBondContact O-CB 3.45Å; P105-L108 WeakPolarHBondContact O-CG 3.23Å; P105-L108 PolarHBondContact O-N 2.82Å; P105-L108 VanDerWaalsContact O-N 3.07Å; E106-L108 PolarHBondContact O-N 2.8Å; L108-P118 WeakPolarHBondContact O-CD 3.48Å
109N82.3Confident83.8Confident128 Ų12867.9 Ų67.968%0.68437%0.365SS*.SBendtrans-98.91.4-175.6-62-22000112.2E106 A107 P111E106-N109 PolarHBondContact O-N 3.09Å; A107-N109 VanDerWaalsContact C-N 3.33Å; N109-P111 WeakPolarHBondContact O-CD 3.47Å
110A84.3Confident83.8Confident22 Ų2269.7 Ų69.718%0.18237%0.373CS..  trans-82.2113.618000000109.3T76 H79T76-A110 HydrophobicContact CG2-CB 4.24Å; H79-A110 PolarHBondContact CE1-O 3Å; H79-A110 PolarHBondContact NE2-O 3.09Å
111P87Confident83.7Confident55 Ų5570.4 Ų70.436%0.35738%0.377SS..  trans-72.9152.1175.629.1-34.3000110.7R70 N109 L116R70-P111 PolarHBondContact NH2-O 3.38Å; N109-P111 WeakPolarHBondContact O-CD 3.47Å; P111-L116 CarbonylContact C-O 3.35Å; P111-L116 VanDerWaalsContact CA-O 3.31Å; P111-L116 WeakPolarHBondContact CA-O 3.42Å
112N86.6Confident83.5Confident21 Ų2167.7 Ų67.711%0.11237%0.367CS..  trans-82.1-172167.568.711.9000111.4N75 A114 G115 L116N75-N112 WeakPolarHBondContact OD1-CB 3.44Å; N75-N112 PolarHBondContact OD1-ND2 3.15Å; N112-A114 PolarHBondContact O-N 3.33Å; N112-A114 WeakPolarHBondContact OD1-CA 3.3Å; N112-A114 VanDerWaalsContact OD1-CB 3.31Å; N112-A114 WeakPolarHBondContact OD1-CB 3.32Å; N112-A114 PolarHBondContact OD1-N 3.37Å; N112-G115 PolarHBondContact O-N 3.15Å; N112-G115 PolarHBondContact OD1-N 3.46Å; N112-L116 PolarHBondContact N-O 3.03Å; N112-L116 PolarHBondContact OD1-N 3.01Å; N112-L116 VanDerWaalsContact OD1-N 3.08Å; N112-L116 PolarHBondContact OD1-O 2.98Å
113K88.5Confident83.3Confident158 Ų15862.3 Ų62.369%0.68735%0.347SS*.THydrogen-bonded Turntrans-67.7-16.7177.1-74.5-175.3177178.10114.2R72 W73 G115R72-K113 VanDerWaalsContact O-CE 3.26Å; R72-K113 WeakPolarHBondContact O-CE 3.17Å; R72-K113 PolarHBondContact O-NZ 3.45Å; W73-K113 VanDerWaalsContact O-CB 3.23Å; W73-K113 WeakPolarHBondContact O-CB 3.47Å; W73-K113 WeakPolarHBondContact O-CG 3.5Å; W73-K113 PolarHBondContact O-N 3.36Å; K113-G115 VanDerWaalsContact C-N 3.26Å
114A82.6Confident83Confident77 Ų7760.4 Ų60.464%0.63634%0.343SS*.THydrogen-bonded Turntrans-86.51.5172.500000112.3N112 L116N112-A114 PolarHBondContact O-N 3.33Å; N112-A114 WeakPolarHBondContact OD1-CA 3.3Å; N112-A114 VanDerWaalsContact OD1-CB 3.31Å; N112-A114 WeakPolarHBondContact OD1-CB 3.32Å; N112-A114 PolarHBondContact OD1-N 3.37Å; A114-L116 HydrophobicContact CB-CD1 4.45Å; A114-L116 HydrophobicContact CB-CG 4.32Å; A114-L116 PolarHBondContact O-N 3.29Å
115G85.6Confident82.2Confident50 Ų5061.3 Ų61.352%0.51534%0.344SS..SBendtrans80.10.5-177.900000114.3N112 K113N112-G115 PolarHBondContact O-N 3.15Å; N112-G115 PolarHBondContact OD1-N 3.46Å; K113-G115 VanDerWaalsContact C-N 3.26Å
116L85.6Confident81.5Confident55 Ų5562.4 Ų62.429%0.28835%0.346SS..  trans-86.4135.6-177.1-59.1177.7000110.6H79 P111 N112 A114 D120 V121 L124H79-L116 PolarHBondContact NE2-O 3.48Å; P111-L116 CarbonylContact C-O 3.35Å; P111-L116 VanDerWaalsContact CA-O 3.31Å; P111-L116 WeakPolarHBondContact CA-O 3.42Å; N112-L116 PolarHBondContact N-O 3.03Å; N112-L116 PolarHBondContact OD1-N 3.01Å; N112-L116 VanDerWaalsContact OD1-N 3.08Å; N112-L116 PolarHBondContact OD1-O 2.98Å; A114-L116 HydrophobicContact CB-CD1 4.45Å; A114-L116 HydrophobicContact CB-CG 4.32Å; A114-L116 PolarHBondContact O-N 3.29Å; L116-D120 HydrophobicContact CB-CB 4.34Å; L116-D120 HydrophobicContact CD2-CB 4.22Å; L116-V121 HydrophobicContact CB-CG2 3.98Å; L116-V121 HydrophobicContact CD1-CG2 4.3Å; L116-L124 HydrophobicContact CD1-CD1 4.46Å; L116-L124 HydrophobicContact CD2-CD1 3.72Å
117T88.9Confident80.7Confident28 Ų2860.6 Ų60.617%0.17234%0.341CS..  trans-80.2162167.770.20000110.9Q119 D120 V121T117-Q119 PolarHBondContact O-N 3.32Å; T117-Q119 VanDerWaalsContact O-N 3.16Å; T117-Q119 PolarHBondContact OG1-N 3.21Å; T117-D120 VanDerWaalsContact CB-OD2 3.28Å; T117-D120 WeakPolarHBondContact CB-OD2 3.44Å; T117-D120 WeakPolarHBondContact CG2-OD2 3.42Å; T117-D120 PolarHBondContact N-OD2 3.46Å; T117-D120 PolarHBondContact O-N 2.93Å; T117-D120 VanDerWaalsContact O-N 3.14Å; T117-D120 PolarHBondContact OG1-N 2.89Å; T117-D120 VanDerWaalsContact OG1-N 3.11Å; T117-D120 PolarHBondContact OG1-OD1 3.27Å; T117-D120 PolarHBondContact OG1-OD2 2.89Å; T117-V121 WeakPolarHBondContact O-CG2 3.25Å; T117-V121 PolarHBondContact O-N 3.31Å
118P85.1Confident79.7Confident0 Ų064.2 Ų64.20%037%0.366CS..Hα-helixtrans-55.5-29.3172.9-24.532.2000114L78 H79 F97 A107 L108 L122L78-P118 HydrophobicContact CB-CB 3.87Å; L78-P118 HydrophobicContact CB-CG 3.82Å; H79-P118 WeakPolarHBondContact NE2-CD 3.47Å; F97-P118 HydrophobicContact CE2-CB 4.41Å; A107-P118 WeakPolarHBondContact O-CG 3.41Å; L108-P118 WeakPolarHBondContact O-CD 3.48Å; P118-L122 PolarHBondContact O-N 3.1Å
119Q82.9Confident78.3Confident105 Ų10569 Ų6949%0.49139%0.388SS..Hα-helixtrans-76.2-44.2176.7-172.6166.7-11.500110.7T117 V121 L122 D123T117-Q119 PolarHBondContact O-N 3.32Å; T117-Q119 VanDerWaalsContact O-N 3.16Å; T117-Q119 PolarHBondContact OG1-N 3.21Å; Q119-V121 PolarHBondContact O-N 3.47Å; Q119-L122 WeakPolarHBondContact O-CA 3.23Å; Q119-L122 WeakPolarHBondContact O-CB 3.32Å; Q119-L122 PolarHBondContact O-N 2.67Å; Q119-D123 PolarHBondContact O-N 2.9Å
120D84.8Confident76.7Confident59 Ų5965.1 Ų65.132%0.31637%0.374SS..Hα-helixtrans-58.8-34.9173.6-53.5-37.1000111.5L116 T117 L122 D123 L124L116-D120 HydrophobicContact CB-CB 4.34Å; L116-D120 HydrophobicContact CD2-CB 4.22Å; T117-D120 VanDerWaalsContact CB-OD2 3.28Å; T117-D120 WeakPolarHBondContact CB-OD2 3.44Å; T117-D120 WeakPolarHBondContact CG2-OD2 3.42Å; T117-D120 PolarHBondContact N-OD2 3.46Å; T117-D120 PolarHBondContact O-N 2.93Å; T117-D120 VanDerWaalsContact O-N 3.14Å; T117-D120 PolarHBondContact OG1-N 2.89Å; T117-D120 VanDerWaalsContact OG1-N 3.11Å; T117-D120 PolarHBondContact OG1-OD1 3.27Å; T117-D120 PolarHBondContact OG1-OD2 2.89Å; D120-L122 VanDerWaalsContact C-N 3.33Å; D120-L122 PolarHBondContact O-N 2.74Å; D120-D123 PolarHBondContact O-N 3.43Å; D120-L124 HydrophobicContact CB-CD1 4.23Å; D120-L124 VanDerWaalsContact O-CB 3.3Å; D120-L124 WeakPolarHBondContact O-CB 3.48Å; D120-L124 VanDerWaalsContact O-CD1 3.31Å; D120-L124 WeakPolarHBondContact O-CD1 3.18Å; D120-L124 PolarHBondContact O-N 2.85Å
121V83.7Confident74.7Confident15 Ų1567.9 Ų67.99%0.09140%0.396CS..Hα-helixtrans-65.3-35.3175173.20000112.1A82 L116 T117 Q119 M125A82-V121 HydrophobicContact CB-CB 4.49Å; A82-V121 HydrophobicContact CB-CG1 4.17Å; L116-V121 HydrophobicContact CB-CG2 3.98Å; L116-V121 HydrophobicContact CD1-CG2 4.3Å; T117-V121 WeakPolarHBondContact O-CG2 3.25Å; T117-V121 PolarHBondContact O-N 3.31Å; Q119-V121 PolarHBondContact O-N 3.47Å; V121-M125 HydrophobicContact CG1-SD 4.27Å; V121-M125 WeakPolarHBondContact O-CB 3.46Å; V121-M125 VanDerWaalsContact O-CG 3.25Å; V121-M125 WeakPolarHBondContact O-CG 3.26Å
122L81.4Confident72.8Confident38 Ų3868.8 Ų68.820%0.19942%0.416CS..Hα-helixtrans-70.2-42.7173.2-72.4167.8000111.1A82 Y93 F97 P118 Q119 D120 N126A82-L122 HydrophobicContact CB-CD1 4.36Å; A82-L122 HydrophobicContact CB-CD2 3.8Å; A82-L122 HydrophobicContact CB-CG 3.7Å; Y93-L122 HydrophobicContact CE2-CD1 3.83Å; F97-L122 HydrophobicContact CD2-CD1 4.46Å; F97-L122 HydrophobicContact CE1-CD1 4.16Å; F97-L122 HydrophobicContact CE2-CD1 3.83Å; F97-L122 HydrophobicContact CZ-CD1 3.65Å; P118-L122 PolarHBondContact O-N 3.1Å; Q119-L122 WeakPolarHBondContact O-CA 3.23Å; Q119-L122 WeakPolarHBondContact O-CB 3.32Å; Q119-L122 PolarHBondContact O-N 2.67Å; D120-L122 VanDerWaalsContact C-N 3.33Å; D120-L122 PolarHBondContact O-N 2.74Å; L122-N126 PolarHBondContact O-N 3.02Å; L122-N126 VanDerWaalsContact O-N 3.16Å
123D81.6Confident70.6Confident74 Ų7472.7 Ų72.740%0.39645%0.445SS..Hα-helixtrans-73.2-48-173.9-65.1-22.7000111.8Q119 D120 M125 N126 D127Q119-D123 PolarHBondContact O-N 2.9Å; D120-D123 PolarHBondContact O-N 3.43Å; D123-M125 PolarHBondContact O-N 3.38Å; D123-M125 VanDerWaalsContact O-N 3.15Å; D123-N126 WeakPolarHBondContact O-CB 3.48Å; D123-N126 PolarHBondContact O-N 2.96Å; D123-D127 PolarHBondContact O-N 3.46Å
124L73.9Confident67.9Low99 Ų9971.4 Ų71.452%0.51844%0.443SS..Hα-helixtrans-55.9-34.6175.3-100.2115.1000112.8L116 D120 S128L116-L124 HydrophobicContact CD1-CD1 4.46Å; L116-L124 HydrophobicContact CD2-CD1 3.72Å; D120-L124 HydrophobicContact CB-CD1 4.23Å; D120-L124 VanDerWaalsContact O-CB 3.3Å; D120-L124 WeakPolarHBondContact O-CB 3.48Å; D120-L124 VanDerWaalsContact O-CD1 3.31Å; D120-L124 WeakPolarHBondContact O-CD1 3.18Å; D120-L124 PolarHBondContact O-N 2.85Å; L124-S128 PolarHBondContact O-N 2.85Å; L124-S128 VanDerWaalsContact O-N 3.16Å
125M63.7Low65.9Low54 Ų5479.8 Ų79.827%0.26646%0.458SS..Hα-helixtrans-81.3-24.7-179.2-70.7-174.6162.700112.4F86 V121 D123F86-M125 HydrophobicContact CB-SD 4.02Å; F86-M125 HydrophobicContact CD1-SD 4.06Å; F86-M125 HydrophobicContact CD2-CB 3.68Å; F86-M125 HydrophobicContact CD2-CG 4.5Å; F86-M125 HydrophobicContact CD2-SD 4.4Å; F86-M125 HydrophobicContact CE2-CB 3.89Å; F86-M125 WeakPolarHBondContact CE2-O 3.39Å; F86-M125 HydrophobicContact CG-CB 4.16Å; F86-M125 HydrophobicContact CG-SD 3.9Å; V121-M125 HydrophobicContact CG1-SD 4.27Å; V121-M125 WeakPolarHBondContact O-CB 3.46Å; V121-M125 VanDerWaalsContact O-CG 3.25Å; V121-M125 WeakPolarHBondContact O-CG 3.26Å; D123-M125 PolarHBondContact O-N 3.38Å; D123-M125 VanDerWaalsContact O-N 3.15Å
126N65.2Low63.6Low105 Ų10584 Ų8456%0.56146%0.464SS*.Hα-helixtrans-74.9-40.3171.9-153.722.5000110.9L122 D123 S128 Q129 A130L122-N126 PolarHBondContact O-N 3.02Å; L122-N126 VanDerWaalsContact O-N 3.16Å; D123-N126 WeakPolarHBondContact O-CB 3.48Å; D123-N126 PolarHBondContact O-N 2.96Å; N126-S128 VanDerWaalsContact C-N 3.29Å; N126-S128 PolarHBondContact O-N 3.26Å; N126-Q129 PolarHBondContact O-N 2.92Å; N126-A130 PolarHBondContact O-N 2.93Å
127D61Low61.6Low108 Ų10886.5 Ų86.558%0.57848%0.484SS*.Hα-helixtrans-64.5-33.7174-68.8-20000112.1D123 Q129 A130 A131D123-D127 PolarHBondContact O-N 3.46Å; D127-Q129 VanDerWaalsContact C-N 3.29Å; D127-Q129 PolarHBondContact O-N 2.99Å; D127-A130 PolarHBondContact O-N 3.04Å; D127-A131 VanDerWaalsContact O-CB 3.27Å; D127-A131 WeakPolarHBondContact O-CB 3.49Å; D127-A131 PolarHBondContact O-N 3.36Å
128S58Low59.5Low76 Ų7691.2 Ų91.253%0.53152%0.515SS..Hα-helixtrans-61.4-32170.5163.50000113.4L124 N126L124-S128 PolarHBondContact O-N 2.85Å; L124-S128 VanDerWaalsContact O-N 3.16Å; N126-S128 VanDerWaalsContact C-N 3.29Å; N126-S128 PolarHBondContact O-N 3.26Å
129Q51.5Low57.7Low123 Ų123100.3 Ų100.358%0.57556%0.557SS**Hα-helixtrans-84.1-32.5174.3-68.8-152.2-14.200112.1F86 N126 D127 G132F86-Q129 HydrophobicContact CE2-CG 4.03Å; N126-Q129 PolarHBondContact O-N 2.92Å; D127-Q129 VanDerWaalsContact C-N 3.29Å; D127-Q129 PolarHBondContact O-N 2.99Å; Q129-G132 PolarHBondContact O-N 3.39Å
130A49.3Very low56Low46 Ų46100 Ų10038%0.3857%0.572SS.*Hα-helixtrans-68.1-39.4174.200000112.5N126 D127 G132 S133 M134N126-A130 PolarHBondContact O-N 2.93Å; D127-A130 PolarHBondContact O-N 3.04Å; A130-G132 VanDerWaalsContact C-N 3.25Å; A130-G132 PolarHBondContact O-N 3.04Å; A130-S133 CarbonylContact O-C 3.59Å; A130-S133 WeakPolarHBondContact O-CA 3.3Å; A130-S133 PolarHBondContact O-N 3.43Å; A130-M134 PolarHBondContact O-N 2.85Å; A130-M134 VanDerWaalsContact O-N 3.09Å
131A41.3Very low54.5Low79 Ų79101.1 Ų101.165%0.65358%0.578SS**THydrogen-bonded Turntrans-66.8-24.1175.800000113.2D127 S133D127-A131 VanDerWaalsContact O-CB 3.27Å; D127-A131 WeakPolarHBondContact O-CB 3.49Å; D127-A131 PolarHBondContact O-N 3.36Å; A131-S133 VanDerWaalsContact C-N 3.25Å
132G46.8Very low53.3Low75 Ų75105.4 Ų105.477%0.77361%0.606SS**THydrogen-bonded Turntrans-75.8-10.3169.100000114.1Q129 A130Q129-G132 PolarHBondContact O-N 3.39Å; A130-G132 VanDerWaalsContact C-N 3.25Å; A130-G132 PolarHBondContact O-N 3.04Å
133S40.6Very low52.2Low102 Ų102110.2 Ų110.271%0.71363%0.628SS**THydrogen-bonded Turntrans-122.21.4-174.5-165.90000114.5A130 A131A130-S133 CarbonylContact O-C 3.59Å; A130-S133 WeakPolarHBondContact O-CA 3.3Å; A130-S133 PolarHBondContact O-N 3.43Å; A131-S133 VanDerWaalsContact C-N 3.25Å
134M31.3Very low51Low131 Ų131113 Ų11365%0.64564%0.639SS**  trans-111.986.6170.1-81.7-161.6-163.500111.1A130 H136A130-M134 PolarHBondContact O-N 2.85Å; A130-M134 VanDerWaalsContact O-N 3.09Å; M134-H136 PolarHBondContact SD-CD2 3.45Å; M134-H136 PolarHBondContact SD-NE2 3.12Å; M134-H136 VanDerWaalsContact SD-NE2 3.37Å
135R41.8Very low50.3Low253 Ų253113.2 Ų113.296%0.95564%0.64SS**  trans-9692.1147.4-147.4178.6-166.8-167.42.4105.1
136H37.4Very low50Low140 Ų140119.1 Ų119.165%0.64866%0.66SS**PPolyproline II helixtrans-70.8137.3170.6-90.7-82.4000109M134M134-H136 PolarHBondContact SD-CD2 3.45Å; M134-H136 PolarHBondContact SD-NE2 3.12Å; M134-H136 VanDerWaalsContact SD-NE2 3.37Å
137P43.2Very low49.5Very low107 Ų107119.1 Ų119.170%0.69566%0.658SS**PPolyproline II helixtrans-71135.1163.622.8-15.4000108.1E139P137-E139 PolarHBondContact O-N 3.13Å
138P45Very low49.7Very low127 Ų127116 Ų11683%0.82565%0.651SS**PPolyproline II helixtrans-70.9130.2177.95.76.9000109.5
139E46.2Very low50.1Low191 Ų191118.5 Ų118.589%0.89365%0.652SS**PPolyproline II helixtrans-59.7134162.5-69.8175.1150.300108.5P137 D141P137-E139 PolarHBondContact O-N 3.13Å; E139-D141 PolarHBondContact O-N 3.39Å
140A47.4Very low50.4Low98 Ų98117.4 Ų117.481%0.8165%0.65SS**  trans-62.7116-177.300000110.8
141D54.7Low50.9Low82 Ų82119.9 Ų119.944%0.43966%0.655SS.*  trans-74.6121.5169.8-171.2-7.9000108.8E139 E143 E144E139-D141 PolarHBondContact O-N 3.39Å; D141-E143 PolarHBondContact O-N 3.28Å; D141-E143 PolarHBondContact OD1-N 3.21Å; D141-E144 HydrophobicContact CB-CG 4.42Å; D141-E144 PolarHBondContact O-N 3.24Å
142P58.5Low51.8Low105 Ų105117.3 Ų117.368%0.68264%0.637SS**Hα-helixtrans-55.9-19.8176.8-24.533.7000114.2W146P142-W146 PolarHBondContact O-N 3Å
143E57.4Low52.1Low139 Ų139116.4 Ų116.465%0.6562%0.622SS**Hα-helixtrans-73.7-31.1174.9-68.2-168.8169.700113.1D141 W146 M147D141-E143 PolarHBondContact O-N 3.28Å; D141-E143 PolarHBondContact OD1-N 3.21Å; E143-W146 PolarHBondContact O-N 2.9Å; E143-M147 WeakPolarHBondContact O-CB 3.45Å; E143-M147 WeakPolarHBondContact O-CG 3.37Å; E143-M147 PolarHBondContact O-N 2.84Å
144E56.4Low52.6Low134 Ų134115.2 Ų115.263%0.62661%0.613SS**Hα-helixtrans-69.3-36.7175.4-74.6-161.1157.300111.9D141 W146 M147 G148D141-E144 HydrophobicContact CB-CG 4.42Å; D141-E144 PolarHBondContact O-N 3.24Å; E144-W146 VanDerWaalsContact C-N 3.28Å; E144-W146 PolarHBondContact O-N 3.43Å; E144-M147 HydrophobicContact CG-CE 4.21Å; E144-M147 PolarHBondContact O-N 3.47Å; E144-G148 PolarHBondContact O-N 2.9Å
145D59.8Low53.3Low103 Ų103114.6 Ų114.655%0.55161%0.608SS**Hα-helixtrans-72.3-24.8177.7-157.862.8000112.1K149D145-K149 WeakPolarHBondContact O-CD 3.25Å; D145-K149 WeakPolarHBondContact O-CG 3.34Å; D145-K149 PolarHBondContact O-N 3.23Å; D145-K149 IonicContact OD2-NZ 2.92Å; D145-K149 PolarHBondContact OD2-NZ 3.34Å
146W56.4Low53.6Low178 Ų178108.1 Ų108.167%0.67459%0.592SS**Hα-helixtrans-82.5-40.1173.1-151.773.7000111.8P142 E143 E144 G148 K149 L150P142-W146 PolarHBondContact O-N 3Å; E143-W146 PolarHBondContact O-N 2.9Å; E144-W146 VanDerWaalsContact C-N 3.28Å; E144-W146 PolarHBondContact O-N 3.43Å; W146-G148 VanDerWaalsContact C-N 3.32Å; W146-G148 PolarHBondContact O-N 2.99Å; W146-K149 PolarHBondContact O-N 3.29Å; W146-L150 PolarHBondContact O-N 2.92Å
147M55.6Low54.2Low105 Ų105108.4 Ų108.452%0.51759%0.594SS.*Hα-helixtrans-62-38171.2-76.1-164.2-59.800112E143 E144 K149 L150 I151E143-M147 WeakPolarHBondContact O-CB 3.45Å; E143-M147 WeakPolarHBondContact O-CG 3.37Å; E143-M147 PolarHBondContact O-N 2.84Å; E144-M147 HydrophobicContact CG-CE 4.21Å; E144-M147 PolarHBondContact O-N 3.47Å; M147-K149 VanDerWaalsContact C-N 3.35Å; M147-K149 PolarHBondContact O-N 2.92Å; M147-L150 PolarHBondContact O-N 3.43Å; M147-I151 WeakPolarHBondContact O-CB 3.45Å; M147-I151 VanDerWaalsContact O-CG1 3.24Å; M147-I151 WeakPolarHBondContact O-CG1 3.29Å; M147-I151 PolarHBondContact O-N 2.76Å
148G64Low54.2Low42 Ų42107.4 Ų107.443%0.43359%0.589SS.*Hα-helixtrans-62.8-37.5174.500000113.4E144 W146 G152E144-G148 PolarHBondContact O-N 2.9Å; W146-G148 VanDerWaalsContact C-N 3.32Å; W146-G148 PolarHBondContact O-N 2.99Å; G148-G152 PolarHBondContact O-N 3.09Å
149K67.3Low54Low129 Ų129109.6 Ų109.656%0.56159%0.586SS**Hα-helixtrans-70.3-34.6174.3-73.9165.7-176.2134.40112.6D145 W146 M147 A153D145-K149 WeakPolarHBondContact O-CD 3.25Å; D145-K149 WeakPolarHBondContact O-CG 3.34Å; D145-K149 PolarHBondContact O-N 3.23Å; D145-K149 IonicContact OD2-NZ 2.92Å; D145-K149 PolarHBondContact OD2-NZ 3.34Å; W146-K149 PolarHBondContact O-N 3.29Å; M147-K149 VanDerWaalsContact C-N 3.35Å; M147-K149 PolarHBondContact O-N 2.92Å; K149-A153 PolarHBondContact O-N 3.27Å
150L58.4Low54.1Low99 Ų99109.2 Ų109.252%0.51858%0.584SS.*Hα-helixtrans-69.2-40.8175.6-157.380.7000111.3W146 M147 A153 C154W146-L150 PolarHBondContact O-N 2.92Å; M147-L150 PolarHBondContact O-N 3.43Å; L150-A153 PolarHBondContact O-N 3.22Å; L150-C154 PolarHBondContact O-N 3.4Å; L150-C154 VanDerWaalsContact O-N 3.1Å
151I58.4Low54.2Low98 Ų98108.1 Ų108.150%0.50357%0.574SS.*Hα-helixtrans-64.4-44.7175.6-70.2166.3000110.7M147 A153 C154 E155M147-I151 WeakPolarHBondContact O-CB 3.45Å; M147-I151 VanDerWaalsContact O-CG1 3.24Å; M147-I151 WeakPolarHBondContact O-CG1 3.29Å; M147-I151 PolarHBondContact O-N 2.76Å; I151-A153 PolarHBondContact O-N 3.18Å; I151-C154 PolarHBondContact O-N 3.34Å; I151-E155 HydrophobicContact CG2-CG 4.41Å; I151-E155 WeakPolarHBondContact O-CG 3.23Å; I151-E155 PolarHBondContact O-N 2.91Å
152G60.7Low53.9Low25 Ų25113.2 Ų113.226%0.25859%0.593SS.*Hα-helixtrans-61.4-39.7177.200000113.6G148 E155 D156G148-G152 PolarHBondContact O-N 3.09Å; G152-E155 PolarHBondContact O-N 3.3Å; G152-D156 VanDerWaalsContact O-CG 3.28Å; G152-D156 PolarHBondContact O-N 3.15Å; G152-D156 VanDerWaalsContact O-N 3.11Å
153A54Low53.5Low56 Ų56111.2 Ų111.246%0.46359%0.592SS.*Hα-helixtrans-69.6-33.4175.900000113K149 L150 I151 E157K149-A153 PolarHBondContact O-N 3.27Å; L150-A153 PolarHBondContact O-N 3.22Å; I151-A153 PolarHBondContact O-N 3.18Å; A153-E157 PolarHBondContact O-N 3.17Å
154C50.7Low53Low77 Ų77108.4 Ų108.452%0.5259%0.592SS.*Hα-helixtrans-74.7-31.7174.3-77.50000113.1L150 I151 C158L150-C154 PolarHBondContact O-N 3.4Å; L150-C154 VanDerWaalsContact O-N 3.1Å; I151-C154 PolarHBondContact O-N 3.34Å; C154-C158 WeakPolarHBondContact O-CB 3.44Å; C154-C158 PolarHBondContact O-N 3.23Å; C154-C158 VanDerWaalsContact O-N 3.1Å
155E46Very low52.7Low118 Ų118112.9 Ų112.955%0.55161%0.605SS**Hα-helixtrans-69.2-38.7174.6-79.1179.5160.200111.8I151 G152 C158 F159I151-E155 HydrophobicContact CG2-CG 4.41Å; I151-E155 WeakPolarHBondContact O-CG 3.23Å; I151-E155 PolarHBondContact O-N 2.91Å; G152-E155 PolarHBondContact O-N 3.3Å; E155-C158 PolarHBondContact O-N 2.83Å; E155-F159 PolarHBondContact O-N 3.28Å
156D47Very low52Low117 Ų117113 Ų11363%0.62662%0.62SS**Hα-helixtrans-64.9-41.7177.4-71.5-20.9000112.1G152 E160G152-D156 VanDerWaalsContact O-CG 3.28Å; G152-D156 PolarHBondContact O-N 3.15Å; G152-D156 VanDerWaalsContact O-N 3.11Å; D156-E160 PolarHBondContact O-N 2.88Å
157E50.8Low51.5Low147 Ų147112 Ų11269%0.68763%0.628SS**Hα-helixtrans-71.7-32.5175.1-72.4-172.9176.100112.9A153 A161A153-E157 PolarHBondContact O-N 3.17Å; E157-A161 WeakPolarHBondContact O-CB 3.31Å; E157-A161 PolarHBondContact O-N 3.01Å
158C42.5Very low51.2Low86 Ų86114.2 Ų114.258%0.58164%0.642SS**Hα-helixtrans-69.3-37.5175.4-95.20000112.5C154 E155 F162C154-C158 WeakPolarHBondContact O-CB 3.44Å; C154-C158 PolarHBondContact O-N 3.23Å; C154-C158 VanDerWaalsContact O-N 3.1Å; E155-C158 PolarHBondContact O-N 2.83Å; C158-F162 PolarHBondContact O-N 3.1Å
159F41.7Very low50.5Low173 Ų173122.7 Ų122.776%0.75966%0.662SS**Hα-helixtrans-70.6-36.1178.6-113-90.5000112.6E155E155-F159 PolarHBondContact O-N 3.28Å
160E48.5Very low49.8Very low183 Ų183124.3 Ų124.386%0.85568%0.676SS**Hα-helixtrans-73.7-29176.3-80.7-171.5155.900113.3D156D156-E160 PolarHBondContact O-N 2.88Å
161A50Low49.4Very low74 Ų74124.8 Ų124.861%0.61269%0.685SS**Hα-helixtrans-93.4-23.5-175.100000115.5E157E157-A161 WeakPolarHBondContact O-CB 3.31Å; E157-A161 PolarHBondContact O-N 3.01Å
162F47.2Very low49Very low190 Ų190126.2 Ų126.283%0.83370%0.698SS**Hα-helixtrans-128.97.6-172-90.8-86.8000115.9C158 A164C158-F162 PolarHBondContact O-N 3.1Å; F162-A164 PolarHBondContact O-N 3.41Å
163G49.5Very low48.5Very low63 Ų63131.7 Ų131.765%0.64972%0.722SS**THydrogen-bonded Turntrans-92.827.5-169.500000118.6
164A48.6Very low48.5Very low79 Ų79137.8 Ų137.865%0.65374%0.74SS**THydrogen-bonded Turntrans-116.1-1.6-17400000117.3F162F162-A164 PolarHBondContact O-N 3.41Å
165Y49.2Very low48.7Very low229 Ų229143 Ų14390%0.89876%0.757SS**SBendtrans-147.955.2-176.7-68.2-72.8000114.8
166A45.7Very low49.2Very low104 Ų104146.3 Ų146.386%0.8677%0.772SS**  trans-142.213.3173.600000115.4
167D46.2Very low49.7Very low159 Ų159145.3 Ų145.385%0.8576%0.764SS**SBendtrans-102.310.5-169.4-156.729.2000115.5
168D49.8Very low50.7Low150 Ų150143.3 Ų143.380%0.80276%0.758SS**SBendtrans-126.16.6-168.2-100.1-12.6000117.4
169Y48.8Very low52.3Low221 Ų221146.4 Ų146.487%0.86776%0.762SS**SBendtrans-153.756-177.1-114-80.2000117.2
170L51.8Low54.1Low163 Ų163139.5 Ų139.585%0.85374%0.74SS**  trans-144.9117.2153.1-74.7179.3000110.9V172L170-V172 PolarHBondContact O-N 3.09Å
171P50.2Low55.4Low109 Ų109135.4 Ų135.471%0.70872%0.723SS**  trans-56.7126.5164-20.832.7000109.6D173P171-D173 VanDerWaalsContact C-N 3.33Å; P171-D173 PolarHBondContact O-N 3.21Å
172V50.4Low57Low128 Ų128137.2 Ų137.278%0.77672%0.715SS**  trans-71.492.2169.2178.40000107.2L170 E174L170-V172 PolarHBondContact O-N 3.09Å; V172-E174 HydrophobicContact CG1-CG 4.43Å; V172-E174 PolarHBondContact O-N 3.46Å
173D50Low58.5Low140 Ų140128.9 Ų128.975%0.74968%0.681SS**  trans-72.5104.7162.2-78.6-29.4000107.1P171 E175P171-D173 VanDerWaalsContact C-N 3.33Å; P171-D173 PolarHBondContact O-N 3.21Å; D173-E175 PolarHBondContact O-N 3.03Å
174E54.3Low60.1Low183 Ų183129.4 Ų129.486%0.85567%0.669SS**THydrogen-bonded Turntrans-72.121.4-174.4-127.8177.1-16500114.4V172V172-E174 HydrophobicContact CG1-CG 4.43Å; V172-E174 PolarHBondContact O-N 3.46Å
175E54.6Low62Low187 Ų187129.7 Ų129.787%0.87465%0.653SS**THydrogen-bonded Turntrans-141.642-175.3-69.4-16817000115D173 E177D173-E175 PolarHBondContact O-N 3.03Å; E175-E177 PolarHBondContact O-N 3.28Å
176E56.8Low63.9Low187 Ų187122 Ų12287%0.87463%0.627SS**  trans-87.898.7161.7-86.3-175.8164.400110.1D178E176-D178 PolarHBondContact O-N 3.37Å
177E57.9Low65.7Low96 Ų96123.8 Ų123.845%0.44961%0.612SS.*  trans-49112.7171.5-166.2-178.2-145.800109.6E175 D181 W182 R185E175-E177 PolarHBondContact O-N 3.28Å; E177-D181 HydrophobicContact CG-CB 4Å; E177-W182 HydrophobicContact CG-CB 4.46Å; E177-R185 IonicContact OE1-CZ 3.4Å; E177-R185 IonicContact OE1-NE 2.73Å; E177-R185 PolarHBondContact OE1-NE 2.98Å; E177-R185 IonicContact OE1-NH2 3.92Å; E177-R185 PolarHBondContact OE1-NH2 3.16Å; E177-R185 IonicContact OE2-CZ 3.54Å; E177-R185 IonicContact OE2-NE 3.62Å; E177-R185 IonicContact OE2-NH2 3.89Å; E177-R185 PolarHBondContact OE2-NH2 3.49Å
178D70.6Confident67.7Low106 Ų106123.8 Ų123.857%0.56760%0.599SS**  trans-55.5145.1179.4175.943.3000110.3E176 G180 D181 W182E176-D178 PolarHBondContact O-N 3.37Å; D178-G180 PolarHBondContact O-N 3.17Å; D178-G180 PolarHBondContact OD2-N 2.85Å; D178-D181 WeakPolarHBondContact O-CA 3.25Å; D178-D181 WeakPolarHBondContact O-CB 3.41Å; D178-D181 PolarHBondContact O-N 3.46Å; D178-W182 PolarHBondContact O-N 2.94Å
179F76Confident69.6Low151 Ų151120.4 Ų120.466%0.66258%0.579SS**Hα-helixtrans-56.1-32-177178.5-98.3000111.9W182 A183F179-W182 HydrophobicContact CD2-CE3 4.01Å; F179-W182 HydrophobicContact CD2-CZ3 4.35Å; F179-W182 AromaticContact CE2-CE3 3.82Å; F179-W182 HydrophobicContact CE2-CE3 3.82Å; F179-W182 AromaticContact CE2-CZ3 3.7Å; F179-W182 HydrophobicContact CE2-CZ3 3.7Å; F179-W182 HydrophobicContact CZ-CZ3 4.24Å; F179-A183 WeakPolarHBondContact O-CB 3.31Å; F179-A183 PolarHBondContact O-N 3.48Å
180G79.1Confident71.6Confident28 Ų28116.4 Ų116.429%0.28956%0.563SS.*Hα-helixtrans-61.9-47.7172.400000113D178 A183 D184D178-G180 PolarHBondContact O-N 3.17Å; D178-G180 PolarHBondContact OD2-N 2.85Å; G180-A183 PolarHBondContact O-N 3.34Å; G180-D184 WeakPolarHBondContact O-CB 3.13Å; G180-D184 PolarHBondContact O-N 2.85Å
181D77.5Confident73.3Confident96 Ų96115.2 Ų115.251%0.51355%0.551SS.*Hα-helixtrans-65.7-41.5179.1-75.1-25.2000111.9E177 D178 D184 R185E177-D181 HydrophobicContact CG-CB 4Å; D178-D181 WeakPolarHBondContact O-CA 3.25Å; D178-D181 WeakPolarHBondContact O-CB 3.41Å; D178-D181 PolarHBondContact O-N 3.46Å; D181-D184 PolarHBondContact O-N 3.38Å; D181-R185 WeakPolarHBondContact O-CB 3.44Å; D181-R185 PolarHBondContact O-N 3.33Å
182W83.5Confident75.3Confident112 Ų112115.1 Ų115.142%0.42455%0.545SS..Hα-helixtrans-60-49.7171.4175.686.9000111.4E177 D178 F179 D184 R185 I186E177-W182 HydrophobicContact CG-CB 4.46Å; D178-W182 PolarHBondContact O-N 2.94Å; F179-W182 HydrophobicContact CD2-CE3 4.01Å; F179-W182 HydrophobicContact CD2-CZ3 4.35Å; F179-W182 AromaticContact CE2-CE3 3.82Å; F179-W182 HydrophobicContact CE2-CE3 3.82Å; F179-W182 AromaticContact CE2-CZ3 3.7Å; F179-W182 HydrophobicContact CE2-CZ3 3.7Å; F179-W182 HydrophobicContact CZ-CZ3 4.24Å; W182-D184 VanDerWaalsContact C-N 3.3Å; W182-D184 PolarHBondContact O-N 2.77Å; W182-R185 PolarHBondContact O-N 3.18Å; W182-I186 HydrophobicContact CD2-CG1 4.14Å; W182-I186 HydrophobicContact CZ2-CG1 4.01Å; W182-I186 VanDerWaalsContact O-CG1 3.31Å; W182-I186 WeakPolarHBondContact O-CG1 3.46Å; W182-I186 PolarHBondContact O-N 2.92Å
183A78.5Confident77.4Confident16 Ų16115.4 Ų115.413%0.13254%0.536CS..Hα-helixtrans-62-37.9-179.800000112.1F179 G180 R187F179-A183 WeakPolarHBondContact O-CB 3.31Å; F179-A183 PolarHBondContact O-N 3.48Å; G180-A183 PolarHBondContact O-N 3.34Å; A183-R187 WeakPolarHBondContact O-CB 3.49Å; A183-R187 VanDerWaalsContact O-CG 3.27Å; A183-R187 WeakPolarHBondContact O-CG 3.34Å; A183-R187 PolarHBondContact O-N 2.84Å; A183-R187 PolarHBondContact O-NE 3.3Å
184D82.8Confident79.4Confident74 Ų74113.1 Ų113.140%0.39652%0.519SS..Hα-helixtrans-75-33.2178.6-76.4-5000112.8G180 D181 W182 R187 R188G180-D184 WeakPolarHBondContact O-CB 3.13Å; G180-D184 PolarHBondContact O-N 2.85Å; D181-D184 PolarHBondContact O-N 3.38Å; W182-D184 VanDerWaalsContact C-N 3.3Å; W182-D184 PolarHBondContact O-N 2.77Å; D184-R187 IonicContact OD1-CZ 3.74Å; D184-R187 VanDerWaalsContact OD1-CZ 3.31Å; D184-R187 IonicContact OD1-NE 3.6Å; D184-R187 PolarHBondContact OD1-NE 3.17Å; D184-R187 IonicContact OD1-NH2 3.72Å; D184-R187 PolarHBondContact OD1-NH2 3.34Å; D184-R188 WeakPolarHBondContact O-CB 3.41Å; D184-R188 VanDerWaalsContact O-CG 3.29Å; D184-R188 WeakPolarHBondContact O-CG 3.5Å; D184-R188 PolarHBondContact O-N 3.4Å; D184-R188 PolarHBondContact O-NE 2.98Å
185R87.4Confident81.1Confident84 Ų84110.5 Ų110.532%0.31751%0.507SS..Hα-helixtrans-64.1-49.1169.3-178.9167.759.891.9-5.8111.4E177 D181 W182 R187 R188 E189E177-R185 IonicContact OE1-CZ 3.4Å; E177-R185 IonicContact OE1-NE 2.73Å; E177-R185 PolarHBondContact OE1-NE 2.98Å; E177-R185 IonicContact OE1-NH2 3.92Å; E177-R185 PolarHBondContact OE1-NH2 3.16Å; E177-R185 IonicContact OE2-CZ 3.54Å; E177-R185 IonicContact OE2-NE 3.62Å; E177-R185 IonicContact OE2-NH2 3.89Å; E177-R185 PolarHBondContact OE2-NH2 3.49Å; D181-R185 WeakPolarHBondContact O-CB 3.44Å; D181-R185 PolarHBondContact O-N 3.33Å; W182-R185 PolarHBondContact O-N 3.18Å; R185-R187 PolarHBondContact O-N 3.49Å; R185-R188 PolarHBondContact O-N 3.07Å; R185-E189 PolarHBondContact O-N 3.41Å
186I89Confident82.9Confident69 Ų69104.7 Ų104.735%0.35448%0.484SS..Hα-helixtrans-62.6-41.5178.2-64.8-61.2000111.3W182 E189 Y190W182-I186 HydrophobicContact CD2-CG1 4.14Å; W182-I186 HydrophobicContact CZ2-CG1 4.01Å; W182-I186 VanDerWaalsContact O-CG1 3.31Å; W182-I186 WeakPolarHBondContact O-CG1 3.46Å; W182-I186 PolarHBondContact O-N 2.92Å; I186-E189 PolarHBondContact O-N 2.98Å; I186-Y190 WeakPolarHBondContact O-CB 3.23Å; I186-Y190 PolarHBondContact O-N 3.12Å
187R83.9Confident84.4Confident141 Ų141100.5 Ų100.553%0.53246%0.464SS..Hα-helixtrans-60.3-50.1173.8-80-173.7-85.2-154.4-0.1111.6A183 D184 R185 E189 Y190 F191A183-R187 WeakPolarHBondContact O-CB 3.49Å; A183-R187 VanDerWaalsContact O-CG 3.27Å; A183-R187 WeakPolarHBondContact O-CG 3.34Å; A183-R187 PolarHBondContact O-N 2.84Å; A183-R187 PolarHBondContact O-NE 3.3Å; D184-R187 IonicContact OD1-CZ 3.74Å; D184-R187 VanDerWaalsContact OD1-CZ 3.31Å; D184-R187 IonicContact OD1-NE 3.6Å; D184-R187 PolarHBondContact OD1-NE 3.17Å; D184-R187 IonicContact OD1-NH2 3.72Å; D184-R187 PolarHBondContact OD1-NH2 3.34Å; R185-R187 PolarHBondContact O-N 3.49Å; R187-E189 VanDerWaalsContact C-N 3.34Å; R187-E189 PolarHBondContact O-N 3.06Å; R187-Y190 PolarHBondContact O-N 3.23Å; R187-F191 WeakPolarHBondContact O-CD2 3.45Å; R187-F191 PolarHBondContact O-N 3.32Å
188R89.3Confident85.9Confident158 Ų15898.4 Ų98.460%0.59646%0.464SS*.Hα-helixtrans-58-45.2177.2-79.1179.9-69165.8-3.4112D184 R185 F191 N192D184-R188 WeakPolarHBondContact O-CB 3.41Å; D184-R188 VanDerWaalsContact O-CG 3.29Å; D184-R188 WeakPolarHBondContact O-CG 3.5Å; D184-R188 PolarHBondContact O-N 3.4Å; D184-R188 PolarHBondContact O-NE 2.98Å; R185-R188 PolarHBondContact O-N 3.07Å; R188-F191 PolarHBondContact O-N 2.93Å; R188-N192 VanDerWaalsContact O-CB 3.25Å; R188-N192 WeakPolarHBondContact O-CB 3.1Å; R188-N192 PolarHBondContact O-N 3.18Å; R188-N192 PolarHBondContact O-ND2 2.95Å
189E89.9Confident86.8Confident79 Ų7999.3 Ų99.337%0.36946%0.464SS..Hα-helixtrans-62.2-43.7176.7-80.6-162.5-160.100112.8R185 I186 R187 N192 K193R185-E189 PolarHBondContact O-N 3.41Å; I186-E189 PolarHBondContact O-N 2.98Å; R187-E189 VanDerWaalsContact C-N 3.34Å; R187-E189 PolarHBondContact O-N 3.06Å; E189-N192 PolarHBondContact O-N 3.21Å; E189-K193 VanDerWaalsContact O-CB 3.31Å; E189-K193 WeakPolarHBondContact O-CB 3.4Å; E189-K193 WeakPolarHBondContact O-CD 3.49Å; E189-K193 VanDerWaalsContact O-CG 3.25Å; E189-K193 WeakPolarHBondContact O-CG 3.46Å; E189-K193 PolarHBondContact O-N 3Å; E189-K193 IonicContact OE2-NZ 3.31Å; E189-K193 PolarHBondContact OE2-NZ 3.34Å
190Y89.8Confident87.5Confident137 Ų137100.7 Ų100.754%0.53747%0.465SS..Hα-helixtrans-61.5-48.9177.4177.7-92.4000111.3I186 R187 N192 K193 K194I186-Y190 WeakPolarHBondContact O-CB 3.23Å; I186-Y190 PolarHBondContact O-N 3.12Å; R187-Y190 PolarHBondContact O-N 3.23Å; Y190-N192 VanDerWaalsContact C-N 3.35Å; Y190-N192 PolarHBondContact O-N 3.13Å; Y190-K193 PolarHBondContact O-N 3.23Å; Y190-K194 HydrophobicContact CD1-CG 4.29Å; Y190-K194 HydrophobicContact CE1-CG 3.78Å; Y190-K194 HydrophobicContact CE2-CG 4.35Å; Y190-K194 WeakPolarHBondContact O-CB 3.36Å; Y190-K194 PolarHBondContact O-N 3.35Å; Y190-K194 WeakPolarHBondContact OH-CE 3.38Å
191F88.6Confident87.9Confident138 Ų138104.5 Ų104.561%0.60548%0.478SS*.Hα-helixtrans-62.2-41.7177.2-82.3-70.2000111.8R187 R188 K194 H195R187-F191 WeakPolarHBondContact O-CD2 3.45Å; R187-F191 PolarHBondContact O-N 3.32Å; R188-F191 PolarHBondContact O-N 2.93Å; F191-K194 PolarHBondContact O-N 3.48Å; F191-H195 VanDerWaalsContact O-CB 3.25Å; F191-H195 WeakPolarHBondContact O-CB 3.43Å; F191-H195 PolarHBondContact O-N 2.94Å
192N92.1Very high88.4Confident108 Ų108102.9 Ų102.958%0.57848%0.478SS*.Hα-helixtrans-62.5-46.1175.5-76.8-18.8000111.8R188 E189 Y190 K194 H195 V196R188-N192 VanDerWaalsContact O-CB 3.25Å; R188-N192 WeakPolarHBondContact O-CB 3.1Å; R188-N192 PolarHBondContact O-N 3.18Å; R188-N192 PolarHBondContact O-ND2 2.95Å; E189-N192 PolarHBondContact O-N 3.21Å; Y190-N192 VanDerWaalsContact C-N 3.35Å; Y190-N192 PolarHBondContact O-N 3.13Å; N192-K194 VanDerWaalsContact C-N 3.35Å; N192-K194 PolarHBondContact O-N 3.44Å; N192-H195 PolarHBondContact O-N 3.27Å; N192-V196 VanDerWaalsContact O-CG2 3.3Å; N192-V196 WeakPolarHBondContact O-CG2 3.46Å; N192-V196 PolarHBondContact O-N 3Å
193K93.4Very high88.5Confident133 Ų133100.1 Ų100.158%0.57848%0.476SS*.Hα-helixtrans-59.7-45176-76.6163.3178.2157.20110.8E189 Y190 E197E189-K193 VanDerWaalsContact O-CB 3.31Å; E189-K193 WeakPolarHBondContact O-CB 3.4Å; E189-K193 WeakPolarHBondContact O-CD 3.49Å; E189-K193 VanDerWaalsContact O-CG 3.25Å; E189-K193 WeakPolarHBondContact O-CG 3.46Å; E189-K193 PolarHBondContact O-N 3Å; E189-K193 IonicContact OE2-NZ 3.31Å; E189-K193 PolarHBondContact OE2-NZ 3.34Å; Y190-K193 PolarHBondContact O-N 3.23Å; K193-E197 WeakPolarHBondContact O-CB 3.29Å; K193-E197 PolarHBondContact O-N 3.4Å
194K92.8Very high88.9Confident93 Ų93102.5 Ų102.540%0.40449%0.492SS..Hα-helixtrans-64.9-41.3176.3-82.3-69.4173.7-1580113.2Y190 F191 N192 E197 A198Y190-K194 HydrophobicContact CD1-CG 4.29Å; Y190-K194 HydrophobicContact CE1-CG 3.78Å; Y190-K194 HydrophobicContact CE2-CG 4.35Å; Y190-K194 WeakPolarHBondContact O-CB 3.36Å; Y190-K194 PolarHBondContact O-N 3.35Å; Y190-K194 WeakPolarHBondContact OH-CE 3.38Å; F191-K194 PolarHBondContact O-N 3.48Å; N192-K194 VanDerWaalsContact C-N 3.35Å; N192-K194 PolarHBondContact O-N 3.44Å; K194-E197 IonicContact NZ-OE2 2.65Å; K194-E197 PolarHBondContact NZ-OE2 2.98Å; K194-E197 VanDerWaalsContact NZ-OE2 3.14Å; K194-E197 PolarHBondContact O-N 3.36Å; K194-A198 WeakPolarHBondContact O-CB 3.3Å; K194-A198 PolarHBondContact O-N 2.8Å
195H89.4Confident88.9Confident128 Ų128102.6 Ų102.659%0.59350%0.498SS*.Hα-helixtrans-66.3-42.6179.1-168.4-90.4000111.4F191 N192 A198 Q199F191-H195 VanDerWaalsContact O-CB 3.25Å; F191-H195 WeakPolarHBondContact O-CB 3.43Å; F191-H195 PolarHBondContact O-N 2.94Å; N192-H195 PolarHBondContact O-N 3.27Å; H195-A198 PolarHBondContact O-N 3.11Å; H195-Q199 WeakPolarHBondContact O-CB 3.33Å; H195-Q199 PolarHBondContact O-N 3.4Å
196V92.3Very high88.8Confident65 Ų65102.3 Ų102.339%0.39451%0.509SS..Hα-helixtrans-64.5-43175.3172.50000111.4N192 Q199 R200N192-V196 VanDerWaalsContact O-CG2 3.3Å; N192-V196 WeakPolarHBondContact O-CG2 3.46Å; N192-V196 PolarHBondContact O-N 3Å; V196-Q199 PolarHBondContact O-N 3.44Å; V196-R200 WeakPolarHBondContact O-CG 3.4Å; V196-R200 PolarHBondContact O-N 2.98Å
197E89.7Confident88.7Confident98 Ų98106.5 Ų106.546%0.45853%0.525SS..Hα-helixtrans-60.1-47175.3-172.4-178.9-160.400111.2K193 K194 Q199 R200 L201K193-E197 WeakPolarHBondContact O-CB 3.29Å; K193-E197 PolarHBondContact O-N 3.4Å; K194-E197 IonicContact NZ-OE2 2.65Å; K194-E197 PolarHBondContact NZ-OE2 2.98Å; K194-E197 VanDerWaalsContact NZ-OE2 3.14Å; K194-E197 PolarHBondContact O-N 3.36Å; E197-Q199 PolarHBondContact O-N 3.47Å; E197-R200 PolarHBondContact O-N 3.45Å; E197-L201 HydrophobicContact CG-CD1 4.33Å; E197-L201 WeakPolarHBondContact O-CG 3.47Å; E197-L201 PolarHBondContact O-N 3.25Å
198A88.4Confident88.8Confident53 Ų53109.7 Ų109.744%0.43854%0.537SS..Hα-helixtrans-61.1-41.8176.300000112.1K194 H195 L201 A202K194-A198 WeakPolarHBondContact O-CB 3.3Å; K194-A198 PolarHBondContact O-N 2.8Å; H195-A198 PolarHBondContact O-N 3.11Å; A198-L201 PolarHBondContact O-N 3.16Å; A198-A202 VanDerWaalsContact O-CB 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.18Å; A198-A202 PolarHBondContact O-N 2.95Å
199Q89.5Confident88.4Confident124 Ų124109 Ų10958%0.57954%0.538SS*.Hα-helixtrans-66.8-37.3177.6-164.5179.52300112.1H195 V196 E197 A202 S203H195-Q199 WeakPolarHBondContact O-CB 3.33Å; H195-Q199 PolarHBondContact O-N 3.4Å; V196-Q199 PolarHBondContact O-N 3.44Å; E197-Q199 PolarHBondContact O-N 3.47Å; Q199-A202 PolarHBondContact O-N 2.95Å; Q199-S203 VanDerWaalsContact O-CB 3.3Å; Q199-S203 WeakPolarHBondContact O-CB 3.38Å; Q199-S203 PolarHBondContact O-N 3.38Å; Q199-S203 PolarHBondContact O-OG 3.31Å
200R90.3Very high88.2Confident180 Ų180111.7 Ų111.768%0.67955%0.548SS*.Hα-helixtrans-64.5-44.1173-75177.8179.9-172.51.3111.7V196 E197 S203 S204V196-R200 WeakPolarHBondContact O-CG 3.4Å; V196-R200 PolarHBondContact O-N 2.98Å; E197-R200 PolarHBondContact O-N 3.45Å; R200-S203 WeakPolarHBondContact CA-OG 3.48Å; R200-S203 PolarHBondContact O-N 2.92Å; R200-S203 PolarHBondContact O-OG 2.87Å; R200-S204 WeakPolarHBondContact O-CB 3.27Å; R200-S204 PolarHBondContact O-N 3.32Å; R200-S204 PolarHBondContact O-OG 3.04Å
201L88.7Confident88.1Confident109 Ų109110.4 Ų110.457%0.57155%0.547SS*.Hα-helixtrans-66.6-39.8176.1-69.8170.8000112.3E197 A198 S204 S205E197-L201 HydrophobicContact CG-CD1 4.33Å; E197-L201 WeakPolarHBondContact O-CG 3.47Å; E197-L201 PolarHBondContact O-N 3.25Å; A198-L201 PolarHBondContact O-N 3.16Å; L201-S204 PolarHBondContact O-OG 2.92Å; L201-S205 VanDerWaalsContact O-CB 3.27Å; L201-S205 WeakPolarHBondContact O-CB 3.5Å; L201-S205 PolarHBondContact O-N 3.41Å
202A86.4Confident88Confident61 Ų61111.4 Ų111.450%0.50455%0.552SS.*Hα-helixtrans-65.6-43.3176.300000111.7A198 Q199 S205 S206A198-A202 VanDerWaalsContact O-CB 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.18Å; A198-A202 PolarHBondContact O-N 2.95Å; Q199-A202 PolarHBondContact O-N 2.95Å; A202-S205 PolarHBondContact O-N 2.86Å; A202-S206 VanDerWaalsContact O-CB 3.23Å; A202-S206 WeakPolarHBondContact O-CB 3.37Å; A202-S206 PolarHBondContact O-N 3.44Å
203S87.2Confident87.6Confident55 Ų55114.7 Ų114.739%0.38556%0.556SS.*Hα-helixtrans-68.1-39.1178.862.70000112.6Q199 R200 S206 K207Q199-S203 VanDerWaalsContact O-CB 3.3Å; Q199-S203 WeakPolarHBondContact O-CB 3.38Å; Q199-S203 PolarHBondContact O-N 3.38Å; Q199-S203 PolarHBondContact O-OG 3.31Å; R200-S203 WeakPolarHBondContact CA-OG 3.48Å; R200-S203 PolarHBondContact O-N 2.92Å; R200-S203 PolarHBondContact O-OG 2.87Å; S203-S206 PolarHBondContact O-N 2.9Å; S203-K207 WeakPolarHBondContact O-CB 3.44Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 3.34Å
204S85.5Confident87.4Confident66 Ų66113.8 Ų113.846%0.46255%0.552SS.*Hα-helixtrans-66.5-42.8175.269.90000112R200 L201 K207 R208R200-S204 WeakPolarHBondContact O-CB 3.27Å; R200-S204 PolarHBondContact O-N 3.32Å; R200-S204 PolarHBondContact O-OG 3.04Å; L201-S204 PolarHBondContact O-OG 2.92Å; S204-K207 PolarHBondContact O-N 3.4Å; S204-R208 WeakPolarHBondContact O-CB 3.34Å; S204-R208 PolarHBondContact O-N 2.92Å
205S83.9Confident87.2Confident75 Ų75116 Ų11652%0.52456%0.564SS.*Hα-helixtrans-62.2-44174.1-178.10000112L201 A202 R208 K209L201-S205 VanDerWaalsContact O-CB 3.27Å; L201-S205 WeakPolarHBondContact O-CB 3.5Å; L201-S205 PolarHBondContact O-N 3.41Å; A202-S205 PolarHBondContact O-N 2.86Å; S205-R208 PolarHBondContact O-N 3.43Å; S205-K209 WeakPolarHBondContact O-CB 3.41Å; S205-K209 PolarHBondContact O-N 3.31Å
206S84.7Confident87.1Confident78 Ų78117.2 Ų117.255%0.54557%0.567SS.*Hα-helixtrans-61.8-46.5176.2-178.10000112A202 S203 R208 K209 K210A202-S206 VanDerWaalsContact O-CB 3.23Å; A202-S206 WeakPolarHBondContact O-CB 3.37Å; A202-S206 PolarHBondContact O-N 3.44Å; S203-S206 PolarHBondContact O-N 2.9Å; S206-R208 PolarHBondContact O-N 3.46Å; S206-K209 PolarHBondContact O-N 3.1Å; S206-K210 WeakPolarHBondContact O-CB 3.36Å; S206-K210 PolarHBondContact O-N 3.35Å
207K86.9Confident87Confident158 Ų158118.5 Ų118.569%0.68758%0.575SS**Hα-helixtrans-58.4-48.9174.7-77178.3-178.7-179.80111.5S203 S204 K209 K210 E211S203-K207 WeakPolarHBondContact O-CB 3.44Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 3.34Å; S204-K207 PolarHBondContact O-N 3.4Å; K207-K209 VanDerWaalsContact C-N 3.33Å; K207-K209 PolarHBondContact O-N 3.33Å; K207-K210 WeakPolarHBondContact O-CB 3.31Å; K207-K210 PolarHBondContact O-N 3.16Å; K207-E211 PolarHBondContact O-N 3.21Å
208R85.5Confident87.1Confident208 Ų208118.2 Ų118.279%0.78557%0.574SS**Hα-helixtrans-60.7-40.1178-171.3178179.1-172.41.2112.3S204 S205 S206 E211 K212S204-R208 WeakPolarHBondContact O-CB 3.34Å; S204-R208 PolarHBondContact O-N 2.92Å; S205-R208 PolarHBondContact O-N 3.43Å; S206-R208 PolarHBondContact O-N 3.46Å; R208-E211 PolarHBondContact O-N 3.15Å; R208-K212 WeakPolarHBondContact O-CB 3.4Å; R208-K212 PolarHBondContact O-N 2.91Å
209K81.8Confident87.3Confident142 Ų142118.9 Ų118.962%0.61758%0.575SS**Hα-helixtrans-67.2-39.7176.5-169.1177.9-178.5-179.60111.8S205 S206 K207 R213S205-K209 WeakPolarHBondContact O-CB 3.41Å; S205-K209 PolarHBondContact O-N 3.31Å; S206-K209 PolarHBondContact O-N 3.1Å; K207-K209 VanDerWaalsContact C-N 3.33Å; K207-K209 PolarHBondContact O-N 3.33Å; K209-R213 WeakPolarHBondContact O-CG 3.46Å; K209-R213 PolarHBondContact O-N 3.14Å; K209-R213 VanDerWaalsContact O-N 3.07Å
210K86.1Confident87.2Confident136 Ų136116.6 Ų116.659%0.59157%0.57SS**Hα-helixtrans-63.1-45.1175.5-171.7175.6-177.3176.40111S206 K207 R213 K214S206-K210 WeakPolarHBondContact O-CB 3.36Å; S206-K210 PolarHBondContact O-N 3.35Å; K207-K210 WeakPolarHBondContact O-CB 3.31Å; K207-K210 PolarHBondContact O-N 3.16Å; K210-R213 PolarHBondContact O-N 3Å; K210-K214 PolarHBondContact O-N 3.04Å
211E87.5Confident87.5Confident111 Ų111113 Ų11352%0.51956%0.559SS.*Hα-helixtrans-63.4-46.1179.1-158.954.8-134.700111.8K207 R208 R213 K214 Q215K207-E211 PolarHBondContact O-N 3.21Å; R208-E211 PolarHBondContact O-N 3.15Å; E211-R213 VanDerWaalsContact C-N 3.27Å; E211-R213 PolarHBondContact O-N 3.27Å; E211-K214 WeakPolarHBondContact O-CB 3.37Å; E211-K214 PolarHBondContact O-N 3.41Å; E211-K214 VanDerWaalsContact O-N 3.13Å; E211-Q215 PolarHBondContact O-N 3.04Å
212K85.1Confident87.8Confident159 Ų159113.3 Ų113.369%0.69156%0.558SS**Hα-helixtrans-61-35.1175.7-168.1173.5-175.9174.10112.9R208 K216R208-K212 WeakPolarHBondContact O-CB 3.4Å; R208-K212 PolarHBondContact O-N 2.91Å; K212-K216 WeakPolarHBondContact O-CB 3.24Å; K212-K216 PolarHBondContact O-N 3.2Å; K212-K216 VanDerWaalsContact O-N 3.1Å
213R84.6Confident88.2Confident177 Ų177115.5 Ų115.567%0.66856%0.56SS**Hα-helixtrans-67.8-44.5174.4-75.9175.1107.9172.84.5111.2K209 K210 E211 K216 V217K209-R213 WeakPolarHBondContact O-CG 3.46Å; K209-R213 PolarHBondContact O-N 3.14Å; K209-R213 VanDerWaalsContact O-N 3.07Å; K210-R213 PolarHBondContact O-N 3Å; E211-R213 VanDerWaalsContact C-N 3.27Å; E211-R213 PolarHBondContact O-N 3.27Å; R213-K216 PolarHBondContact O-N 3.32Å; R213-V217 WeakPolarHBondContact O-CG2 3.46Å; R213-V217 PolarHBondContact O-N 3.47Å
214K89.4Confident88.5Confident114 Ų114118.2 Ų118.250%0.49657%0.567SS.*Hα-helixtrans-59.4-50.6176.2-73.5-179.6173.5-173.40111.5K210 E211 K216 V217 E218K210-K214 PolarHBondContact O-N 3.04Å; E211-K214 WeakPolarHBondContact O-CB 3.37Å; E211-K214 PolarHBondContact O-N 3.41Å; E211-K214 VanDerWaalsContact O-N 3.13Å; K214-K216 VanDerWaalsContact C-N 3.27Å; K214-K216 PolarHBondContact O-N 2.96Å; K214-V217 PolarHBondContact O-N 3Å; K214-E218 PolarHBondContact O-N 2.8Å
215Q88.9Confident89Confident140 Ų140118.3 Ų118.365%0.65456%0.56SS**Hα-helixtrans-59.5-38.7179.1-167.4179.525.900112.2E211 S219E211-Q215 PolarHBondContact O-N 3.04Å; Q215-S219 VanDerWaalsContact O-CB 3.29Å; Q215-S219 WeakPolarHBondContact O-CB 3.47Å; Q215-S219 PolarHBondContact O-N 3.28Å
216K87.6Confident89.7Confident153 Ų153122 Ų12267%0.66556%0.562SS**Hα-helixtrans-65-42.7175-172.6177.4-178.1-179.10112K212 R213 K214 T220K212-K216 WeakPolarHBondContact O-CB 3.24Å; K212-K216 PolarHBondContact O-N 3.2Å; K212-K216 VanDerWaalsContact O-N 3.1Å; R213-K216 PolarHBondContact O-N 3.32Å; K214-K216 VanDerWaalsContact C-N 3.27Å; K214-K216 PolarHBondContact O-N 2.96Å; K216-T220 WeakPolarHBondContact O-CG2 3.03Å; K216-T220 PolarHBondContact O-N 3.35Å; K216-T220 PolarHBondContact O-OG1 3.39Å
217V90.1Very high90.2Very high92 Ų92122.8 Ų122.856%0.55856%0.56SS**Hα-helixtrans-64.1-45.6178.2173.20000110.2R213 K214 T220 K221R213-V217 WeakPolarHBondContact O-CG2 3.46Å; R213-V217 PolarHBondContact O-N 3.47Å; K214-V217 PolarHBondContact O-N 3Å; V217-T220 WeakPolarHBondContact CA-OG1 3.37Å; V217-T220 PolarHBondContact O-N 3.27Å; V217-T220 PolarHBondContact O-OG1 2.9Å; V217-K221 WeakPolarHBondContact O-CB 3.28Å; V217-K221 PolarHBondContact O-N 3.39Å
218E91.8Very high90.6Very high91 Ų91119.4 Ų119.443%0.42555%0.547SS..Hα-helixtrans-61.7-48.1177.7-15763-132.300111K214 T220 K221 E222K214-E218 PolarHBondContact O-N 2.8Å; E218-T220 VanDerWaalsContact C-N 3.29Å; E218-T220 PolarHBondContact O-N 2.97Å; E218-K221 WeakPolarHBondContact O-CA 3.32Å; E218-K221 WeakPolarHBondContact O-CB 3.22Å; E218-K221 PolarHBondContact O-N 3.05Å; E218-K221 IonicContact OE1-NZ 3.83Å; E218-E222 WeakPolarHBondContact O-CG 3.46Å; E218-E222 PolarHBondContact O-N 3.38Å
219S91.5Very high91.1Very high68 Ų68116 Ų11648%0.47653%0.534SS..Hα-helixtrans-58.4-38.9175.7175.80000112.8Q215 K221 L223Q215-S219 VanDerWaalsContact O-CB 3.29Å; Q215-S219 WeakPolarHBondContact O-CB 3.47Å; Q215-S219 PolarHBondContact O-N 3.28Å; S219-K221 VanDerWaalsContact C-N 3.34Å; S219-L223 WeakPolarHBondContact O-CB 3.42Å; S219-L223 PolarHBondContact O-N 3.1Å
220T88.7Confident91.8Very high76 Ų76113.7 Ų113.747%0.46653%0.525SS..Hα-helixtrans-69-33.5175.152.30000112.9K216 V217 E218 H224K216-T220 WeakPolarHBondContact O-CG2 3.03Å; K216-T220 PolarHBondContact O-N 3.35Å; K216-T220 PolarHBondContact O-OG1 3.39Å; V217-T220 WeakPolarHBondContact CA-OG1 3.37Å; V217-T220 PolarHBondContact O-N 3.27Å; V217-T220 PolarHBondContact O-OG1 2.9Å; E218-T220 VanDerWaalsContact C-N 3.29Å; E218-T220 PolarHBondContact O-N 2.97Å; T220-H224 WeakPolarHBondContact O-CB 3.44Å; T220-H224 PolarHBondContact O-N 3.44Å
221K95.2Very high92.3Very high105 Ų105112.5 Ų112.546%0.45752%0.522SS..Hα-helixtrans-70.4-47.4177.3-175.5-173.2169.6-153.50110.6V217 E218 S219 L223 H224 E225V217-K221 WeakPolarHBondContact O-CB 3.28Å; V217-K221 PolarHBondContact O-N 3.39Å; E218-K221 WeakPolarHBondContact O-CA 3.32Å; E218-K221 WeakPolarHBondContact O-CB 3.22Å; E218-K221 PolarHBondContact O-N 3.05Å; E218-K221 IonicContact OE1-NZ 3.83Å; S219-K221 VanDerWaalsContact C-N 3.34Å; K221-L223 VanDerWaalsContact C-N 3.3Å; K221-L223 PolarHBondContact O-N 3.25Å; K221-H224 WeakPolarHBondContact O-CB 3.38Å; K221-H224 PolarHBondContact O-N 3.16Å; K221-E225 VanDerWaalsContact CE-OE1 3.23Å; K221-E225 WeakPolarHBondContact CE-OE1 3.36Å; K221-E225 IonicContact NZ-OE1 2.7Å; K221-E225 WeakPolarHBondContact O-CG 3.32Å; K221-E225 PolarHBondContact O-N 3.33Å
222E96.3Very high92.7Very high114 Ų114113.1 Ų113.153%0.53352%0.524SS..Hα-helixtrans-56.5-43.4174.3-71.4174.2175.100111.9E218 E225 R226E218-E222 WeakPolarHBondContact O-CG 3.46Å; E218-E222 PolarHBondContact O-N 3.38Å; E222-E225 PolarHBondContact O-N 3.43Å; E222-R226 WeakPolarHBondContact O-CB 3.18Å; E222-R226 PolarHBondContact O-N 2.89Å
223L94.1Very high93.3Very high108 Ų108110.1 Ų110.157%0.56551%0.513SS*.Hα-helixtrans-60.5-45.7174.7-174.280.7000111.1S219 K221 R226 L227S219-L223 WeakPolarHBondContact O-CB 3.42Å; S219-L223 PolarHBondContact O-N 3.1Å; K221-L223 VanDerWaalsContact C-N 3.3Å; K221-L223 PolarHBondContact O-N 3.25Å; L223-R226 PolarHBondContact O-N 3.33Å; L223-L227 HydrophobicContact CD1-CD1 4.18Å; L223-L227 HydrophobicContact CG-CD1 4.02Å; L223-L227 WeakPolarHBondContact O-CD1 3.28Å; L223-L227 PolarHBondContact O-N 3.43Å
224H92.8Very high93.8Very high112 Ų112109 Ų10952%0.51951%0.509SS..Hα-helixtrans-63.5-46.2-179.9-170.762.7000112T220 K221 R226 L227 Q228T220-H224 WeakPolarHBondContact O-CB 3.44Å; T220-H224 PolarHBondContact O-N 3.44Å; K221-H224 WeakPolarHBondContact O-CB 3.38Å; K221-H224 PolarHBondContact O-N 3.16Å; H224-R226 VanDerWaalsContact C-N 3.3Å; H224-R226 PolarHBondContact O-N 2.89Å; H224-L227 PolarHBondContact O-N 3.26Å; H224-Q228 PolarHBondContact CD2-NE2 3.41Å; H224-Q228 VanDerWaalsContact CD2-NE2 3.31Å; H224-Q228 PolarHBondContact NE2-NE2 2.96Å; H224-Q228 WeakPolarHBondContact O-CG 3.17Å; H224-Q228 PolarHBondContact O-N 2.82Å
225E97Very high94.1Very high67 Ų67107.8 Ų107.831%0.31351%0.508SS..Hα-helixtrans-61.4-38.9176.3-70.7179.8-169.900111.8K221 E222 Q228 R229K221-E225 VanDerWaalsContact CE-OE1 3.23Å; K221-E225 WeakPolarHBondContact CE-OE1 3.36Å; K221-E225 IonicContact NZ-OE1 2.7Å; K221-E225 WeakPolarHBondContact O-CG 3.32Å; K221-E225 PolarHBondContact O-N 3.33Å; E222-E225 PolarHBondContact O-N 3.43Å; E225-Q228 PolarHBondContact O-N 2.6Å; E225-R229 WeakPolarHBondContact O-CG 3.32Å; E225-R229 PolarHBondContact O-N 2.91Å; E225-R229 IonicContact OE2-NH2 3.04Å; E225-R229 PolarHBondContact OE2-NH2 3.04Å
226R97.6Very high94.4Very high152 Ų152102.9 Ų102.957%0.57449%0.492SS*.Hα-helixtrans-63-46.5174.9-177.4177.9173.9168.63.6111.8E222 L223 H224 Q228 R229 E230E222-R226 WeakPolarHBondContact O-CB 3.18Å; E222-R226 PolarHBondContact O-N 2.89Å; L223-R226 PolarHBondContact O-N 3.33Å; H224-R226 VanDerWaalsContact C-N 3.3Å; H224-R226 PolarHBondContact O-N 2.89Å; R226-Q228 VanDerWaalsContact C-N 3.3Å; R226-Q228 PolarHBondContact O-N 2.97Å; R226-R229 PolarHBondContact O-N 3.28Å; R226-E230 IonicContact CZ-OE1 2.75Å; R226-E230 IonicContact NE-OE1 3.31Å; R226-E230 PolarHBondContact NE-OE1 2.79Å; R226-E230 IonicContact NH2-OE1 3.25Å; R226-E230 WeakPolarHBondContact O-CG 3.38Å; R226-E230 PolarHBondContact O-N 3Å
227L95.1Very high94.7Very high95 Ų95102.8 Ų102.850%0.49749%0.487SS..Hα-helixtrans-61.9-39.1176.8-95.476.3000111.9L223 H224 E230 H231L223-L227 HydrophobicContact CD1-CD1 4.18Å; L223-L227 HydrophobicContact CG-CD1 4.02Å; L223-L227 WeakPolarHBondContact O-CD1 3.28Å; L223-L227 PolarHBondContact O-N 3.43Å; H224-L227 PolarHBondContact O-N 3.26Å; L227-E230 PolarHBondContact O-N 3.21Å; L227-H231 WeakPolarHBondContact O-CB 3.33Å; L227-H231 PolarHBondContact O-N 2.87Å
228Q95.4Very high94.9Very high88 Ų88100.5 Ų100.541%0.41148%0.478SS..Hα-helixtrans-62.2-48.1175.7-74.8179.8-13.400111.2H224 E225 R226 E230 H231 E232H224-Q228 PolarHBondContact CD2-NE2 3.41Å; H224-Q228 VanDerWaalsContact CD2-NE2 3.31Å; H224-Q228 PolarHBondContact NE2-NE2 2.96Å; H224-Q228 WeakPolarHBondContact O-CG 3.17Å; H224-Q228 PolarHBondContact O-N 2.82Å; E225-Q228 PolarHBondContact O-N 2.6Å; R226-Q228 VanDerWaalsContact C-N 3.3Å; R226-Q228 PolarHBondContact O-N 2.97Å; Q228-E230 PolarHBondContact O-N 3.18Å; Q228-H231 WeakPolarHBondContact O-CB 3.47Å; Q228-H231 PolarHBondContact O-N 3.3Å; Q228-H231 VanDerWaalsContact O-N 3.16Å; Q228-E232 WeakPolarHBondContact O-CG 3.42Å; Q228-E232 PolarHBondContact O-N 2.92Å
229R97.4Very high94.9Very high136 Ų13698.8 Ų98.851%0.51348%0.479SS..Hα-helixtrans-60.5-43.9176.6-70.7-178.9-137.41354.3112.2E225 R226 H231 E232 E233E225-R229 WeakPolarHBondContact O-CG 3.32Å; E225-R229 PolarHBondContact O-N 2.91Å; E225-R229 IonicContact OE2-NH2 3.04Å; E225-R229 PolarHBondContact OE2-NH2 3.04Å; R226-R229 PolarHBondContact O-N 3.28Å; R229-H231 VanDerWaalsContact C-N 3.29Å; R229-H231 PolarHBondContact O-N 3.32Å; R229-E232 PolarHBondContact O-N 3.15Å; R229-E233 WeakPolarHBondContact O-CB 3.34Å; R229-E233 WeakPolarHBondContact O-CG 3.45Å; R229-E233 PolarHBondContact O-N 2.88Å
230E96Very high95.1Very high94 Ų94103.9 Ų103.944%0.43949%0.488SS..Hα-helixtrans-62-37.8176.6-74.1176.5-170.400111.7R226 L227 Q228 Y234R226-E230 IonicContact CZ-OE1 2.75Å; R226-E230 IonicContact NE-OE1 3.31Å; R226-E230 PolarHBondContact NE-OE1 2.79Å; R226-E230 IonicContact NH2-OE1 3.25Å; R226-E230 WeakPolarHBondContact O-CG 3.38Å; R226-E230 PolarHBondContact O-N 3Å; L227-E230 PolarHBondContact O-N 3.21Å; Q228-E230 PolarHBondContact O-N 3.18Å; E230-Y234 WeakPolarHBondContact O-CB 3.49Å; E230-Y234 PolarHBondContact O-N 2.83Å
231H96.5Very high95.3Very high111 Ų111107 Ų10751%0.51450%0.495SS..Hα-helixtrans-68.1-44.9175-178.661.2000112.6L227 Q228 R229 E233 Y234 L235L227-H231 WeakPolarHBondContact O-CB 3.33Å; L227-H231 PolarHBondContact O-N 2.87Å; Q228-H231 WeakPolarHBondContact O-CB 3.47Å; Q228-H231 PolarHBondContact O-N 3.3Å; Q228-H231 VanDerWaalsContact O-N 3.16Å; R229-H231 VanDerWaalsContact C-N 3.29Å; R229-H231 PolarHBondContact O-N 3.32Å; H231-E233 VanDerWaalsContact C-N 3.32Å; H231-E233 PolarHBondContact O-N 3.48Å; H231-Y234 WeakPolarHBondContact O-CB 3.33Å; H231-Y234 PolarHBondContact O-N 2.93Å; H231-L235 WeakPolarHBondContact NE2-CD1 3.45Å; H231-L235 WeakPolarHBondContact O-CG 3.39Å; H231-L235 PolarHBondContact O-N 3.33Å
232E96.2Very high94.9Very high123 Ų123106.9 Ų106.958%0.57550%0.496SS*.Hα-helixtrans-60.4-42.9175.6-73.2172.9179.800111.2Q228 R229 Y234 L235 A236Q228-E232 WeakPolarHBondContact O-CG 3.42Å; Q228-E232 PolarHBondContact O-N 2.92Å; R229-E232 PolarHBondContact O-N 3.15Å; E232-Y234 VanDerWaalsContact C-N 3.35Å; E232-Y234 PolarHBondContact O-N 3.06Å; E232-L235 PolarHBondContact O-N 2.95Å; E232-A236 VanDerWaalsContact O-CB 3.3Å; E232-A236 WeakPolarHBondContact O-CB 3.1Å; E232-A236 PolarHBondContact O-N 3.3Å
233E96.4Very high94.6Very high96 Ų96105.2 Ų105.245%0.44949%0.488SS..Hα-helixtrans-61.9-41.8173.7-78.1-175.9-166.800112.3R229 H231 A236 R237R229-E233 WeakPolarHBondContact O-CB 3.34Å; R229-E233 WeakPolarHBondContact O-CG 3.45Å; R229-E233 PolarHBondContact O-N 2.88Å; H231-E233 VanDerWaalsContact C-N 3.32Å; H231-E233 PolarHBondContact O-N 3.48Å; E233-A236 PolarHBondContact O-N 3.31Å; E233-R237 WeakPolarHBondContact O-CB 3.48Å; E233-R237 VanDerWaalsContact O-CG 3.29Å; E233-R237 WeakPolarHBondContact O-CG 3.21Å; E233-R237 PolarHBondContact O-N 2.77Å; E233-R237 IonicContact OE2-CZ 3.02Å; E233-R237 IonicContact OE2-NH2 3.52Å; E233-R237 PolarHBondContact OE2-NH2 2.96Å
234Y95.1Very high94.4Very high153 Ų153105.8 Ų105.860%0.649%0.488SS*.Hα-helixtrans-60.1-48.8176.2174.7-91.3000111.3E230 H231 E232 A236 R237 A238E230-Y234 WeakPolarHBondContact O-CB 3.49Å; E230-Y234 PolarHBondContact O-N 2.83Å; H231-Y234 WeakPolarHBondContact O-CB 3.33Å; H231-Y234 PolarHBondContact O-N 2.93Å; E232-Y234 VanDerWaalsContact C-N 3.35Å; E232-Y234 PolarHBondContact O-N 3.06Å; Y234-A236 VanDerWaalsContact C-N 3.33Å; Y234-A236 PolarHBondContact O-N 3.37Å; Y234-R237 PolarHBondContact O-N 3.07Å; Y234-A238 WeakPolarHBondContact O-CB 3.35Å; Y234-A238 PolarHBondContact O-N 3.42Å
235L95.3Very high94.2Very high89 Ų89104.6 Ų104.647%0.46648%0.484SS..Hα-helixtrans-62-41.6176.4-68179.4000111.5H231 E232 R237 A238 A239H231-L235 WeakPolarHBondContact NE2-CD1 3.45Å; H231-L235 WeakPolarHBondContact O-CG 3.39Å; H231-L235 PolarHBondContact O-N 3.33Å; E232-L235 PolarHBondContact O-N 2.95Å; L235-R237 VanDerWaalsContact C-N 3.35Å; L235-R237 PolarHBondContact O-N 3.49Å; L235-A238 PolarHBondContact O-N 2.89Å; L235-A239 WeakPolarHBondContact O-CB 3.48Å; L235-A239 PolarHBondContact O-N 3.47Å
236A95.8Very high93.8Very high38 Ų38104.7 Ų104.731%0.31448%0.482SS..Hα-helixtrans-65.6-35.3177.200000112.7E232 E233 Y234 R240E232-A236 VanDerWaalsContact O-CB 3.3Å; E232-A236 WeakPolarHBondContact O-CB 3.1Å; E232-A236 PolarHBondContact O-N 3.3Å; E233-A236 PolarHBondContact O-N 3.31Å; Y234-A236 VanDerWaalsContact C-N 3.33Å; Y234-A236 PolarHBondContact O-N 3.37Å; A236-R240 WeakPolarHBondContact O-CB 3.41Å; A236-R240 WeakPolarHBondContact O-CG 3.47Å; A236-R240 PolarHBondContact O-N 3.49Å; A236-R240 PolarHBondContact O-NE 3.38Å
237R94.6Very high93.3Very high151 Ų151105 Ų10557%0.5748%0.483SS*.Hα-helixtrans-68.6-43.3173.1-74176.7-167.4134.913.7111E233 Y234 L235 R240 K241E233-R237 WeakPolarHBondContact O-CB 3.48Å; E233-R237 VanDerWaalsContact O-CG 3.29Å; E233-R237 WeakPolarHBondContact O-CG 3.21Å; E233-R237 PolarHBondContact O-N 2.77Å; E233-R237 IonicContact OE2-CZ 3.02Å; E233-R237 IonicContact OE2-NH2 3.52Å; E233-R237 PolarHBondContact OE2-NH2 2.96Å; Y234-R237 PolarHBondContact O-N 3.07Å; L235-R237 VanDerWaalsContact C-N 3.35Å; L235-R237 PolarHBondContact O-N 3.49Å; R237-R240 PolarHBondContact O-N 3.06Å; R237-K241 WeakPolarHBondContact O-CB 3.34Å; R237-K241 PolarHBondContact O-N 2.98Å
238A93.2Very high93Very high44 Ų44101.9 Ų101.936%0.36447%0.473SS..Hα-helixtrans-60.8-47.8176.300000111.3Y234 L235 R240 K241 E242Y234-A238 WeakPolarHBondContact O-CB 3.35Å; Y234-A238 PolarHBondContact O-N 3.42Å; L235-A238 PolarHBondContact O-N 2.89Å; A238-R240 PolarHBondContact O-N 3.47Å; A238-K241 PolarHBondContact O-N 3.08Å; A238-E242 WeakPolarHBondContact O-CB 3.5Å; A238-E242 PolarHBondContact O-N 3.28Å
239A93.6Very high92.6Very high54 Ų54102.9 Ų102.945%0.44648%0.477SS..Hα-helixtrans-61.4-42.8177.200000112.3L235 E242 E243L235-A239 WeakPolarHBondContact O-CB 3.48Å; L235-A239 PolarHBondContact O-N 3.47Å; A239-E242 PolarHBondContact O-N 3.16Å; A239-E243 VanDerWaalsContact O-CB 3.3Å; A239-E243 WeakPolarHBondContact O-CB 3.47Å; A239-E243 PolarHBondContact O-N 3.36Å
240R93.8Very high92.1Very high176 Ų17698.6 Ų98.666%0.66446%0.462SS*.Hα-helixtrans-60.7-44.9175.2-83-174.4-96.2-147.5-2.2112.3A236 R237 A238 E243 E244A236-R240 WeakPolarHBondContact O-CB 3.41Å; A236-R240 WeakPolarHBondContact O-CG 3.47Å; A236-R240 PolarHBondContact O-N 3.49Å; A236-R240 PolarHBondContact O-NE 3.38Å; R237-R240 PolarHBondContact O-N 3.06Å; A238-R240 PolarHBondContact O-N 3.47Å; R240-E243 PolarHBondContact O-N 3.44Å; R240-E244 WeakPolarHBondContact O-CB 3.42Å; R240-E244 PolarHBondContact O-N 3.2Å
241K93Very high91.7Very high140 Ų140102 Ų10261%0.60947%0.471SS*.Hα-helixtrans-65-42.6177.8-175.8174.4-176.7178.10111.7R237 A238 E244 I245R237-K241 WeakPolarHBondContact O-CB 3.34Å; R237-K241 PolarHBondContact O-N 2.98Å; A238-K241 PolarHBondContact O-N 3.08Å; K241-E244 PolarHBondContact O-N 2.86Å; K241-I245 HydrophobicContact CG-CD1 4.17Å; K241-I245 WeakPolarHBondContact O-CD1 3.26Å; K241-I245 VanDerWaalsContact O-CG1 3.25Å; K241-I245 WeakPolarHBondContact O-CG1 3.36Å; K241-I245 PolarHBondContact O-N 3.22Å
242E87.9Confident91.3Very high103 Ų103102.1 Ų102.148%0.48147%0.471SS..Hα-helixtrans-63.9-43.3177.6-161.4-172.7165.200111.3A238 A239 E244 I245 R246A238-E242 WeakPolarHBondContact O-CB 3.5Å; A238-E242 PolarHBondContact O-N 3.28Å; A239-E242 PolarHBondContact O-N 3.16Å; E242-E244 PolarHBondContact O-N 3.42Å; E242-I245 WeakPolarHBondContact O-CB 3.31Å; E242-I245 PolarHBondContact O-N 2.9Å; E242-R246 WeakPolarHBondContact O-CG 3.5Å; E242-R246 PolarHBondContact O-N 3.33Å; E242-R246 IonicContact OE1-CZ 3.87Å; E242-R246 IonicContact OE1-NE 3.37Å; E242-R246 IonicContact OE1-NH2 3.14Å; E242-R246 PolarHBondContact OE1-NH2 3.03Å; E242-R246 IonicContact OE2-NH2 3.53Å; E242-R246 PolarHBondContact OE2-NH2 3.14Å; E242-R246 VanDerWaalsContact OE2-NH2 3.1Å
243E90.1Very high90.8Very high79 Ų7996.5 Ų96.537%0.36945%0.445SS..Hα-helixtrans-64.1-39.6176.4-176.559.8-167.800112.4A239 R240 I245 R246 R247 H296A239-E243 VanDerWaalsContact O-CB 3.3Å; A239-E243 WeakPolarHBondContact O-CB 3.47Å; A239-E243 PolarHBondContact O-N 3.36Å; R240-E243 PolarHBondContact O-N 3.44Å; E243-I245 VanDerWaalsContact C-N 3.34Å; E243-I245 PolarHBondContact O-N 3.19Å; E243-R246 PolarHBondContact O-N 2.84Å; E243-R246 IonicContact OE2-CZ 3.65Å; E243-R246 IonicContact OE2-NH1 2.72Å; E243-R246 PolarHBondContact OE2-NH1 3.11Å; E243-R247 WeakPolarHBondContact O-CB 3.4Å; E243-R247 PolarHBondContact O-N 2.96Å; E243-H296 VanDerWaalsContact CD-CE1 3.46Å; E243-H296 IonicContact OE1-CE1 2.85Å; E243-H296 PolarHBondContact OE1-CE1 2.93Å; E243-H296 IonicContact OE1-NE2 3.1Å; E243-H296 PolarHBondContact OE1-NE2 3.3Å; E243-H296 IonicContact OE2-CE1 2.74Å; E243-H296 IonicContact OE2-NE2 3.93Å; E243-H296 PolarHBondContact OE2-NE2 3.05Å
244E90.2Very high90.3Very high121 Ų12194.8 Ų94.857%0.56544%0.439SS*.Hα-helixtrans-61.6-42.1173-175.1176.3-160.200111.9R240 K241 E242 R247 G248R240-E244 WeakPolarHBondContact O-CB 3.42Å; R240-E244 PolarHBondContact O-N 3.2Å; K241-E244 PolarHBondContact O-N 2.86Å; E242-E244 PolarHBondContact O-N 3.42Å; E244-R247 PolarHBondContact O-N 3.04Å; E244-G248 PolarHBondContact O-N 3.34Å
245I88.9Confident90Very high86 Ų8692.1 Ų92.144%0.44143%0.432SS..Hα-helixtrans-62.8-46.4175.1-68.8163.4000110.7K241 E242 E243 G248 K249K241-I245 HydrophobicContact CG-CD1 4.17Å; K241-I245 WeakPolarHBondContact O-CD1 3.26Å; K241-I245 VanDerWaalsContact O-CG1 3.25Å; K241-I245 WeakPolarHBondContact O-CG1 3.36Å; K241-I245 PolarHBondContact O-N 3.22Å; E242-I245 WeakPolarHBondContact O-CB 3.31Å; E242-I245 PolarHBondContact O-N 2.9Å; E243-I245 VanDerWaalsContact C-N 3.34Å; E243-I245 PolarHBondContact O-N 3.19Å; I245-G248 PolarHBondContact O-N 2.66Å; I245-K249 HydrophobicContact CG2-CD 4.42Å; I245-K249 WeakPolarHBondContact O-CG 3.45Å; I245-K249 PolarHBondContact O-N 3.44Å
246R87.7Confident89.4Confident70 Ų7093.6 Ų93.626%0.26443%0.434SS..Hα-helixtrans-62.2-45.1178.4-68.6-173.1-145.8110.8-4.7111.5E242 E243 G248 K249 K250 H296E242-R246 WeakPolarHBondContact O-CG 3.5Å; E242-R246 PolarHBondContact O-N 3.33Å; E242-R246 IonicContact OE1-CZ 3.87Å; E242-R246 IonicContact OE1-NE 3.37Å; E242-R246 IonicContact OE1-NH2 3.14Å; E242-R246 PolarHBondContact OE1-NH2 3.03Å; E242-R246 IonicContact OE2-NH2 3.53Å; E242-R246 PolarHBondContact OE2-NH2 3.14Å; E242-R246 VanDerWaalsContact OE2-NH2 3.1Å; E243-R246 PolarHBondContact O-N 2.84Å; E243-R246 IonicContact OE2-CZ 3.65Å; E243-R246 IonicContact OE2-NH1 2.72Å; E243-R246 PolarHBondContact OE2-NH1 3.11Å; R246-G248 VanDerWaalsContact C-N 3.32Å; R246-G248 PolarHBondContact O-N 3.37Å; R246-K249 WeakPolarHBondContact O-CB 3.42Å; R246-K249 PolarHBondContact O-N 2.89Å; R246-K250 PolarHBondContact O-N 3.32Å; R246-H296 VanDerWaalsContact CB-NE2 3.3Å; R246-H296 WeakPolarHBondContact CB-NE2 3.33Å
247R87.4Confident88.8Confident159 Ų15992.3 Ų92.360%0.642%0.423SS*.Hα-helixtrans-61.6-40.5175-173.4179.365.9-175.6-0.8111.7E243 E244 K250 R251E243-R247 WeakPolarHBondContact O-CB 3.4Å; E243-R247 PolarHBondContact O-N 2.96Å; E244-R247 PolarHBondContact O-N 3.04Å; R247-K250 PolarHBondContact O-N 2.75Å; R247-R251 WeakPolarHBondContact O-CB 3.5Å; R247-R251 PolarHBondContact O-N 3.05Å
248G88.6Confident88.2Confident28 Ų2887.5 Ų87.529%0.28942%0.416SS..Hα-helixtrans-61.2-45.9174.600000112.3E244 I245 R246 K250 R251 Q252E244-G248 PolarHBondContact O-N 3.34Å; I245-G248 PolarHBondContact O-N 2.66Å; R246-G248 VanDerWaalsContact C-N 3.32Å; R246-G248 PolarHBondContact O-N 3.37Å; G248-K250 PolarHBondContact O-N 3.1Å; G248-R251 PolarHBondContact O-N 3.42Å; G248-Q252 WeakPolarHBondContact O-CG 3.39Å; G248-Q252 PolarHBondContact O-N 3.39Å
249K86.7Confident87.6Confident110 Ų11088.1 Ų88.148%0.47842%0.421SS..Hα-helixtrans-59.5-45.6174.2-72.8177.1179.6-178.90111.7I245 R246 Q252 Y253 V293I245-K249 HydrophobicContact CG2-CD 4.42Å; I245-K249 WeakPolarHBondContact O-CG 3.45Å; I245-K249 PolarHBondContact O-N 3.44Å; R246-K249 WeakPolarHBondContact O-CB 3.42Å; R246-K249 PolarHBondContact O-N 2.89Å; K249-Q252 PolarHBondContact O-N 3.22Å; K249-Y253 WeakPolarHBondContact O-CB 3.38Å; K249-Y253 PolarHBondContact O-N 2.88Å; K249-V293 HydrophobicContact CB-CG1 4.26Å
250K87.5Confident86.8Confident46 Ų4687.6 Ų87.620%0.241%0.412CS..Hα-helixtrans-60.6-45.9176.2-178.9177.2180-175.30112R246 R247 G248 Y253 D254 H296R246-K250 PolarHBondContact O-N 3.32Å; R247-K250 PolarHBondContact O-N 2.75Å; G248-K250 PolarHBondContact O-N 3.1Å; K250-Y253 WeakPolarHBondContact O-CB 3.39Å; K250-Y253 PolarHBondContact O-N 3.22Å; K250-D254 PolarHBondContact O-N 3.43Å; K250-H296 HydrophobicContact CD-CB 4.22Å; K250-H296 WeakPolarHBondContact CD-O 3.07Å; K250-H296 WeakPolarHBondContact CE-O 3.31Å; K250-H296 PolarHBondContact NZ-O 2.96Å
251R87.1Confident85.8Confident166 Ų16680.9 Ų80.963%0.62639%0.388SS*.Hα-helixtrans-60.8-46.6177.5-178.1179.2173.2172.72.2111.8R247 G248 Y253 D254 E255R247-R251 WeakPolarHBondContact O-CB 3.5Å; R247-R251 PolarHBondContact O-N 3.05Å; G248-R251 PolarHBondContact O-N 3.42Å; R251-Y253 VanDerWaalsContact C-N 3.28Å; R251-Y253 PolarHBondContact O-N 3.03Å; R251-D254 PolarHBondContact O-N 2.69Å; R251-E255 HydrophobicContact CG-CG 4.44Å; R251-E255 IonicContact CZ-OE1 3.52Å; R251-E255 IonicContact NE-OE1 2.8Å; R251-E255 PolarHBondContact NE-OE1 3.08Å; R251-E255 IonicContact NH2-OE1 3.17Å; R251-E255 PolarHBondContact NH2-OE1 2.97Å; R251-E255 WeakPolarHBondContact O-CB 3.18Å; R251-E255 WeakPolarHBondContact O-CG 3.41Å; R251-E255 PolarHBondContact O-N 3.06Å
252Q87.2Confident84.7Confident113 Ų11378 Ų7853%0.52839%0.385SS..Hα-helixtrans-61.1-38.9175.8-73.2179.29.300111.8G248 K249 K256G248-Q252 WeakPolarHBondContact O-CG 3.39Å; G248-Q252 PolarHBondContact O-N 3.39Å; K249-Q252 PolarHBondContact O-N 3.22Å; Q252-K256 VanDerWaalsContact O-CB 3.3Å; Q252-K256 WeakPolarHBondContact O-CB 3.37Å; Q252-K256 WeakPolarHBondContact O-CG 3.32Å; Q252-K256 PolarHBondContact O-N 3.06Å
253Y87.6Confident83.2Confident5 Ų576.8 Ų76.82%0.0239%0.385CS..Hα-helixtrans-63-47.9174.4163.7-103.1000111.8K249 K250 R251 K256 C257 P279 P281 M294 Q313 W317K249-Y253 WeakPolarHBondContact O-CB 3.38Å; K249-Y253 PolarHBondContact O-N 2.88Å; K250-Y253 WeakPolarHBondContact O-CB 3.39Å; K250-Y253 PolarHBondContact O-N 3.22Å; R251-Y253 VanDerWaalsContact C-N 3.28Å; R251-Y253 PolarHBondContact O-N 3.03Å; Y253-K256 PolarHBondContact O-N 3.15Å; Y253-C257 WeakPolarHBondContact CE2-SG 3.34Å; Y253-C257 WeakPolarHBondContact O-CB 3.38Å; Y253-C257 PolarHBondContact O-N 3.27Å; Y253-C257 PolarHBondContact O-SG 2.83Å; Y253-P279 VanDerWaalsContact CE2-O 3.31Å; Y253-P279 WeakPolarHBondContact CE2-O 3.23Å; Y253-P281 HydrophobicContact CD2-CB 3.72Å; Y253-P281 HydrophobicContact CD2-CG 3.72Å; Y253-P281 HydrophobicContact CE2-CB 3.96Å; Y253-P281 HydrophobicContact CE2-CG 3.42Å; Y253-P281 VanDerWaalsContact CE2-CG 3.42Å; Y253-P281 HydrophobicContact CG-CB 4.13Å; Y253-P281 HydrophobicContact CG-CG 4.48Å; Y253-M294 HydrophobicContact CE1-CG 3.91Å; Y253-M294 HydrophobicContact CE2-CG 4.48Å; Y253-Q313 PolarHBondContact OH-OE1 3.26Å; Y253-W317 HydrophobicContact CE2-CZ2 4.14Å; Y253-W317 PolarHBondContact OH-NE1 3.38Å
254D86Confident81.4Confident59 Ų5974.6 Ų74.632%0.31638%0.381SS..Hα-helixtrans-63.8-41.9179-76-27.1000111.5K250 R251 C257 A258K250-D254 PolarHBondContact O-N 3.43Å; R251-D254 PolarHBondContact O-N 2.69Å; D254-C257 PolarHBondContact O-N 3.23Å; D254-A258 WeakPolarHBondContact O-CB 3.32Å; D254-A258 PolarHBondContact O-N 3.17Å
255E87.1Confident79.4Confident98 Ų9873 Ų7346%0.45839%0.388SS..Hα-helixtrans-63.8-45.3175.4-76.5173.2-17500111.7R251 A258 A259R251-E255 HydrophobicContact CG-CG 4.44Å; R251-E255 IonicContact CZ-OE1 3.52Å; R251-E255 IonicContact NE-OE1 2.8Å; R251-E255 PolarHBondContact NE-OE1 3.08Å; R251-E255 IonicContact NH2-OE1 3.17Å; R251-E255 PolarHBondContact NH2-OE1 2.97Å; R251-E255 WeakPolarHBondContact O-CB 3.18Å; R251-E255 WeakPolarHBondContact O-CG 3.41Å; R251-E255 PolarHBondContact O-N 3.06Å; E255-A258 PolarHBondContact O-N 2.93Å; E255-A259 WeakPolarHBondContact O-CB 3.28Å; E255-A259 PolarHBondContact O-N 3Å
256K83.7Confident77.6Confident119 Ų11974.1 Ų74.152%0.51740%0.404SS..Hα-helixtrans-64.3-41.9175.6-75.3177.7-179.5-176.30111.8Q252 Y253 A258 A259 T260 P279Q252-K256 VanDerWaalsContact O-CB 3.3Å; Q252-K256 WeakPolarHBondContact O-CB 3.37Å; Q252-K256 WeakPolarHBondContact O-CG 3.32Å; Q252-K256 PolarHBondContact O-N 3.06Å; Y253-K256 PolarHBondContact O-N 3.15Å; K256-A258 VanDerWaalsContact C-N 3.33Å; K256-A258 PolarHBondContact O-N 2.99Å; K256-A259 PolarHBondContact O-N 2.93Å; K256-T260 WeakPolarHBondContact O-CG2 3.28Å; K256-T260 PolarHBondContact O-N 3.24Å; K256-T260 PolarHBondContact O-OG1 3.33Å; K256-P279 HydrophobicContact CB-CB 3.82Å
257C83.1Confident75.8Confident11 Ų1172.8 Ų72.87%0.07441%0.407CS..Hα-helixtrans-59.3-44.2173.9-78.80000111.8Y253 D254 T260 F261Y253-C257 WeakPolarHBondContact CE2-SG 3.34Å; Y253-C257 WeakPolarHBondContact O-CB 3.38Å; Y253-C257 PolarHBondContact O-N 3.27Å; Y253-C257 PolarHBondContact O-SG 2.83Å; D254-C257 PolarHBondContact O-N 3.23Å; C257-T260 PolarHBondContact O-OG1 2.95Å; C257-F261 HydrophobicContact CB-CD2 4.05Å; C257-F261 HydrophobicContact CB-CE2 4.35Å; C257-F261 VanDerWaalsContact O-CB 3.27Å; C257-F261 WeakPolarHBondContact O-CB 3.41Å; C257-F261 VanDerWaalsContact O-CD2 3.24Å; C257-F261 WeakPolarHBondContact O-CD2 3.39Å; C257-F261 PolarHBondContact O-N 3.22Å
258A81.8Confident73.7Confident51 Ų5170.1 Ų70.142%0.42141%0.413SS..Hα-helixtrans-62.3-46.9175.600000110.9D254 E255 K256 T260 S262D254-A258 WeakPolarHBondContact O-CB 3.32Å; D254-A258 PolarHBondContact O-N 3.17Å; E255-A258 PolarHBondContact O-N 2.93Å; K256-A258 VanDerWaalsContact C-N 3.33Å; K256-A258 PolarHBondContact O-N 2.99Å; A258-T260 PolarHBondContact O-N 3.13Å; A258-S262 WeakPolarHBondContact O-CA 3.31Å; A258-S262 WeakPolarHBondContact O-CB 3.36Å; A258-S262 PolarHBondContact O-N 3.46Å; A258-S262 PolarHBondContact O-OG 3.3Å; A258-S262 VanDerWaalsContact O-OG 3.14Å
259A80.6Confident72Confident56 Ų5673.7 Ų73.746%0.46344%0.44SS..Hα-helixtrans-61.8-45.4178.300000112.6E255 K256 T263E255-A259 WeakPolarHBondContact O-CB 3.28Å; E255-A259 PolarHBondContact O-N 3Å; K256-A259 PolarHBondContact O-N 2.93Å; A259-T263 WeakPolarHBondContact O-CB 3.39Å; A259-T263 PolarHBondContact O-N 3.35Å; A259-T263 PolarHBondContact O-OG1 3.37Å
260T76.2Confident70.5Confident43 Ų4371.6 Ų71.626%0.26445%0.449SS..Hα-helixtrans-78.7-40.4-175.658.20000112.6K256 C257 A258 A264 P279K256-T260 WeakPolarHBondContact O-CG2 3.28Å; K256-T260 PolarHBondContact O-N 3.24Å; K256-T260 PolarHBondContact O-OG1 3.33Å; C257-T260 PolarHBondContact O-OG1 2.95Å; A258-T260 PolarHBondContact O-N 3.13Å; T260-A264 VanDerWaalsContact O-CB 3.29Å; T260-A264 WeakPolarHBondContact O-CB 3.43Å; T260-A264 PolarHBondContact O-N 2.93Å; T260-P279 HydrophobicContact CG2-CB 4.46Å; T260-P279 HydrophobicContact CG2-CG 4.45Å; T260-P279 WeakPolarHBondContact OG1-CD 3.37Å; T260-P279 WeakPolarHBondContact OG1-CG 3.06Å
261F74Confident69.5Low35 Ų3574 Ų7415%0.15447%0.468CS..Hα-helixtrans-91.5-26.9-175.2-60.2-60.9000113.8C257 P279 F322C257-F261 HydrophobicContact CB-CD2 4.05Å; C257-F261 HydrophobicContact CB-CE2 4.35Å; C257-F261 VanDerWaalsContact O-CB 3.27Å; C257-F261 WeakPolarHBondContact O-CB 3.41Å; C257-F261 VanDerWaalsContact O-CD2 3.24Å; C257-F261 WeakPolarHBondContact O-CD2 3.39Å; C257-F261 PolarHBondContact O-N 3.22Å; F261-P279 HydrophobicContact CD2-CG 4.15Å; F261-P279 HydrophobicContact CE2-CG 3.38Å; F261-P279 HydrophobicContact CZ-CG 3.76Å; F261-F322 HydrophobicContact CE1-CD2 4.24Å; F261-F322 AromaticContact CE1-CE2 3.92Å; F261-F322 HydrophobicContact CE1-CE2 3.92Å; F261-F322 HydrophobicContact CZ-CD2 4.39Å; F261-F322 AromaticContact CZ-CE2 3.99Å; F261-F322 HydrophobicContact CZ-CE2 3.99Å
262S68.8Low69Low80 Ų8073.7 Ų73.756%0.55947%0.471SS*.Hα-helixtrans-82.2-39.5172.5-54.50000111.8A258 A264 A265A258-S262 WeakPolarHBondContact O-CA 3.31Å; A258-S262 WeakPolarHBondContact O-CB 3.36Å; A258-S262 PolarHBondContact O-N 3.46Å; A258-S262 PolarHBondContact O-OG 3.3Å; A258-S262 VanDerWaalsContact O-OG 3.14Å; S262-A264 PolarHBondContact O-N 3.25Å; S262-A265 WeakPolarHBondContact O-CB 3.32Å; S262-A265 PolarHBondContact O-N 2.92Å; S262-A265 VanDerWaalsContact O-N 3.16Å
263T56.3Low68.6Low77 Ų7769.5 Ų69.547%0.47245%0.453SS..Hα-helixtrans-72-19.1175.1-50.20000112.3A259 A265 S266 A267A259-T263 WeakPolarHBondContact O-CB 3.39Å; A259-T263 PolarHBondContact O-N 3.35Å; A259-T263 PolarHBondContact O-OG1 3.37Å; T263-A265 PolarHBondContact O-N 3.11Å; T263-S266 CarbonylContact O-C 3.48Å; T263-S266 PolarHBondContact O-N 3.38Å; T263-A267 HydrophobicContact CG2-CB 3.93Å; T263-A267 WeakPolarHBondContact O-CB 3.2Å; T263-A267 PolarHBondContact O-N 2.74Å
264A53.3Low68.3Low34 Ų3470.8 Ų70.828%0.28146%0.462SS..THydrogen-bonded Turntrans-61.1-19.2168.600000114T260 S262T260-A264 VanDerWaalsContact O-CB 3.29Å; T260-A264 WeakPolarHBondContact O-CB 3.43Å; T260-A264 PolarHBondContact O-N 2.93Å; S262-A264 PolarHBondContact O-N 3.25Å
265A48.8Very low68.1Low88 Ų8869.3 Ų69.373%0.72745%0.452SS*.THydrogen-bonded Turntrans-82.1-9.8172.500000113.6S262 T263S262-A265 WeakPolarHBondContact O-CB 3.32Å; S262-A265 PolarHBondContact O-N 2.92Å; S262-A265 VanDerWaalsContact O-N 3.16Å; T263-A265 PolarHBondContact O-N 3.11Å
266S49.8Very low67.6Low109 Ų10967.7 Ų67.776%0.76246%0.462SS*.THydrogen-bonded Turntrans-137.3-10-173.9-57.40000116.1T263T263-S266 CarbonylContact O-C 3.48Å; T263-S266 PolarHBondContact O-N 3.38Å
267A49.5Very low67.4Low42 Ų4265.9 Ų65.935%0.34746%0.458SS..SBendtrans-87.4129.817700000112T263T263-A267 HydrophobicContact CG2-CB 3.93Å; T263-A267 WeakPolarHBondContact O-CB 3.2Å; T263-A267 PolarHBondContact O-N 2.74Å
268S44.8Very low67.3Low103 Ų10365.9 Ų65.972%0.7246%0.457SS*.  trans-52.3142.2174.4480000112.4G270S268-G270 PolarHBondContact O-N 2.73Å
269A51.8Low67.3Low102 Ų10263.8 Ų63.884%0.84344%0.439SS*.THydrogen-bonded Turntrans-63.422.8-169.300000117.1
270G55.8Low67.4Low66 Ų6661.8 Ų61.868%0.6842%0.42SS*.THydrogen-bonded Turntrans-95.5-26.3-170.500000116.8S268S268-G270 PolarHBondContact O-N 2.73Å
271T67Low67.5Low98 Ų9860.3 Ų60.360%0.60141%0.411SS*.  trans-98110.5-171.7-27.60000111.5
272K77.1Confident67.8Low158 Ų15859.3 Ų59.369%0.68741%0.409SS*.PPolyproline II helixtrans-68.5134.9171.7-64.3-179.1179.9-178.60109.7R329K272-R329 CarbonylContact C-O 3.51Å; K272-R329 WeakPolarHBondContact CA-O 3.4Å
273L78Confident67.9Low26 Ų2659.7 Ų59.714%0.13641%0.41CS..BIsolated β-bridgetrans-95.7122.4179.2-64.6168.6000109.4D277 R329 L330 E331L273-D277 HydrophobicContact CB-CB 4.4Å; L273-D277 HydrophobicContact CD2-CB 3.78Å; L273-R329 HydrophobicContact CD1-CB 4.18Å; L273-R329 HydrophobicContact CG-CB 4.47Å; L273-R329 PolarHBondContact N-O 3.45Å; L273-L330 HydrophobicContact CB-CD2 4.37Å; L273-E331 PolarHBondContact O-N 2.9Å; L273-E331 VanDerWaalsContact O-N 3.08Å
274S81.7Confident68.8Low32 Ų3268.2 Ų68.222%0.22443%0.433CS..PPolyproline II helixtrans-84.6173.117072.90000111.1G276 D277S274-G276 PolarHBondContact O-N 3.28Å; S274-G276 VanDerWaalsContact O-N 3.15Å; S274-G276 PolarHBondContact OG-N 2.84Å; S274-D277 WeakPolarHBondContact CB-OD2 3.41Å; S274-D277 PolarHBondContact N-OD2 3.5Å; S274-D277 PolarHBondContact O-N 3.29Å; S274-D277 VanDerWaalsContact O-N 3.12Å; S274-D277 PolarHBondContact OG-OD2 3.07Å
275Y81.8Confident70Confident27 Ų2767.6 Ų67.611%0.10643%0.43CS..THydrogen-bonded Turntrans-55.7-30.9173.4-173.7-87.6000112.3W280 D334 R337 I338 T341Y275-W280 AromaticContact CD1-NE1 3.79Å; Y275-W280 AromaticContact CD2-CZ2 4Å; Y275-W280 HydrophobicContact CD2-CZ2 4Å; Y275-W280 AromaticContact CE1-NE1 3.66Å; Y275-W280 AromaticContact CE2-CE2 3.9Å; Y275-W280 HydrophobicContact CE2-CH2 4.49Å; Y275-W280 AromaticContact CE2-CZ2 3.66Å; Y275-W280 HydrophobicContact CE2-CZ2 3.66Å; Y275-W280 AromaticContact CE2-NE1 3.99Å; Y275-W280 AromaticContact CZ-CE2 3.88Å; Y275-W280 AromaticContact CZ-NE1 3.76Å; Y275-W280 VanDerWaalsContact O-CD1 3.31Å; Y275-W280 PolarHBondContact O-NE1 3.23Å; Y275-D334 WeakPolarHBondContact CB-OD2 3.18Å; Y275-D334 PolarHBondContact N-OD2 3.37Å; Y275-R337 HydrophobicContact CD2-CG 3.97Å; Y275-R337 HydrophobicContact CE2-CG 3.87Å; Y275-I338 HydrophobicContact CD2-CG1 3.71Å; Y275-T341 HydrophobicContact CE2-CG2 4.24Å
276G76.6Confident71.8Confident64 Ų6467.1 Ų67.166%0.6642%0.419SS*.THydrogen-bonded Turntrans-75-22.4-179.600000114.8S274S274-G276 PolarHBondContact O-N 3.28Å; S274-G276 VanDerWaalsContact O-N 3.15Å; S274-G276 PolarHBondContact OG-N 2.84Å
277D79.4Confident73.4Confident82 Ų8263.9 Ų63.944%0.43939%0.394SS..THydrogen-bonded Turntrans-87.2-12.6-175.1-57.3-52.1000112.8L273 S274L273-D277 HydrophobicContact CB-CB 4.4Å; L273-D277 HydrophobicContact CD2-CB 3.78Å; S274-D277 WeakPolarHBondContact CB-OD2 3.41Å; S274-D277 PolarHBondContact N-OD2 3.5Å; S274-D277 PolarHBondContact O-N 3.29Å; S274-D277 VanDerWaalsContact O-N 3.12Å; S274-D277 PolarHBondContact OG-OD2 3.07Å
278I81Confident75Confident11 Ų1171 Ų716%0.05641%0.412CS..SBendtrans-76.7136.8175.8-65.9169.9000108.8W280 W317 F322 L330 I338I278-W280 HydrophobicContact CB-CD2 4.41Å; I278-W280 HydrophobicContact CB-CZ2 3.94Å; I278-W280 HydrophobicContact CD1-CZ2 3.87Å; I278-W280 HydrophobicContact CG2-CD2 3.85Å; I278-W280 VanDerWaalsContact CG2-CE2 3.48Å; I278-W280 HydrophobicContact CG2-CE3 4.23Å; I278-W280 HydrophobicContact CG2-CG 4.41Å; I278-W280 HydrophobicContact CG2-CH2 3.96Å; I278-W280 HydrophobicContact CG2-CZ2 3.56Å; I278-W280 HydrophobicContact CG2-CZ3 4.28Å; I278-W280 VanDerWaalsContact O-CD1 3.23Å; I278-W280 PolarHBondContact O-N 3.34Å; I278-W317 HydrophobicContact CG2-CH2 3.97Å; I278-W317 HydrophobicContact CG2-CZ3 4.23Å; I278-F322 HydrophobicContact CD1-CZ 4.14Å; I278-F322 HydrophobicContact CG2-CZ 4.47Å; I278-L330 HydrophobicContact CD1-CD2 4.11Å; I278-I338 HydrophobicContact CD1-CB 4.11Å; I278-I338 HydrophobicContact CD1-CD1 3.43Å; I278-I338 VanDerWaalsContact CD1-CD1 3.43Å; I278-I338 HydrophobicContact CD1-CG1 3.59Å; I278-I338 HydrophobicContact CD1-CG2 3.38Å
279P80.3Confident76.9Confident6 Ų671 Ų714%0.03940%0.4CS..  trans-74.469.1-176.936.3-42.9000111.1Y253 K256 T260 F261Y253-P279 VanDerWaalsContact CE2-O 3.31Å; Y253-P279 WeakPolarHBondContact CE2-O 3.23Å; K256-P279 HydrophobicContact CB-CB 3.82Å; T260-P279 HydrophobicContact CG2-CB 4.46Å; T260-P279 HydrophobicContact CG2-CG 4.45Å; T260-P279 WeakPolarHBondContact OG1-CD 3.37Å; T260-P279 WeakPolarHBondContact OG1-CG 3.06Å; F261-P279 HydrophobicContact CD2-CG 4.15Å; F261-P279 HydrophobicContact CE2-CG 3.38Å; F261-P279 HydrophobicContact CZ-CG 3.76Å
280W83.4Confident78.5Confident14 Ų1466.4 Ų66.45%0.05336%0.362CS..  trans-68132.3175.7-58.9112.1000110.4Y275 I278 A282 P283 M290 W317 I338 T341 V342 L345Y275-W280 AromaticContact CD1-NE1 3.79Å; Y275-W280 AromaticContact CD2-CZ2 4Å; Y275-W280 HydrophobicContact CD2-CZ2 4Å; Y275-W280 AromaticContact CE1-NE1 3.66Å; Y275-W280 AromaticContact CE2-CE2 3.9Å; Y275-W280 HydrophobicContact CE2-CH2 4.49Å; Y275-W280 AromaticContact CE2-CZ2 3.66Å; Y275-W280 HydrophobicContact CE2-CZ2 3.66Å; Y275-W280 AromaticContact CE2-NE1 3.99Å; Y275-W280 AromaticContact CZ-CE2 3.88Å; Y275-W280 AromaticContact CZ-NE1 3.76Å; Y275-W280 VanDerWaalsContact O-CD1 3.31Å; Y275-W280 PolarHBondContact O-NE1 3.23Å; I278-W280 HydrophobicContact CB-CD2 4.41Å; I278-W280 HydrophobicContact CB-CZ2 3.94Å; I278-W280 HydrophobicContact CD1-CZ2 3.87Å; I278-W280 HydrophobicContact CG2-CD2 3.85Å; I278-W280 VanDerWaalsContact CG2-CE2 3.48Å; I278-W280 HydrophobicContact CG2-CE3 4.23Å; I278-W280 HydrophobicContact CG2-CG 4.41Å; I278-W280 HydrophobicContact CG2-CH2 3.96Å; I278-W280 HydrophobicContact CG2-CZ2 3.56Å; I278-W280 HydrophobicContact CG2-CZ3 4.28Å; I278-W280 VanDerWaalsContact O-CD1 3.23Å; I278-W280 PolarHBondContact O-N 3.34Å; W280-A282 PolarHBondContact O-N 3.1Å; W280-P283 HydrophobicContact CB-CB 4.35Å; W280-M290 HydrophobicContact CE3-CE 4.38Å; W280-M290 HydrophobicContact CE3-SD 4.48Å; W280-W317 AromaticContact CE3-CH2 3.84Å; W280-W317 HydrophobicContact CE3-CH2 3.84Å; W280-W317 AromaticContact CE3-CZ3 3.91Å; W280-W317 HydrophobicContact CE3-CZ3 3.91Å; W280-W317 HydrophobicContact CH2-CZ3 4.12Å; W280-W317 HydrophobicContact CZ3-CE3 4.37Å; W280-W317 AromaticContact CZ3-CH2 3.89Å; W280-W317 HydrophobicContact CZ3-CH2 3.89Å; W280-W317 AromaticContact CZ3-CZ3 3.45Å; W280-W317 HydrophobicContact CZ3-CZ3 3.45Å; W280-W317 VanDerWaalsContact CZ3-CZ3 3.45Å; W280-I338 HydrophobicContact CH2-CG2 4.26Å; W280-I338 HydrophobicContact CZ2-CG1 4.35Å; W280-I338 HydrophobicContact CZ2-CG2 4.26Å; W280-T341 WeakPolarHBondContact CH2-OG1 3.29Å; W280-V342 HydrophobicContact CH2-CG2 3.97Å; W280-V342 HydrophobicContact CZ3-CG2 4.26Å; W280-L345 HydrophobicContact CE3-CD1 4.27Å; W280-L345 HydrophobicContact CZ3-CD1 3.92Å
281P78.9Confident79.8Confident12 Ų1263.8 Ų63.88%0.07833%0.332CS..SBendtrans-61.9-30.1175.2-10.317.9000112.4Y253 M290 V293 M294Y253-P281 HydrophobicContact CD2-CB 3.72Å; Y253-P281 HydrophobicContact CD2-CG 3.72Å; Y253-P281 HydrophobicContact CE2-CB 3.96Å; Y253-P281 HydrophobicContact CE2-CG 3.42Å; Y253-P281 VanDerWaalsContact CE2-CG 3.42Å; Y253-P281 HydrophobicContact CG-CB 4.13Å; Y253-P281 HydrophobicContact CG-CG 4.48Å; P281-M290 HydrophobicContact CB-CB 4.21Å; P281-M290 WeakPolarHBondContact CB-O 3.4Å; P281-M290 HydrophobicContact CG-CB 3.96Å; P281-M290 HydrophobicContact CG-CG 4.34Å; P281-V293 HydrophobicContact CB-CB 3.86Å; P281-V293 HydrophobicContact CB-CG1 3.87Å; P281-M294 HydrophobicContact CB-CG 3.91Å; P281-M294 HydrophobicContact CG-CG 3.44Å; P281-M294 VanDerWaalsContact CG-CG 3.44Å; P281-M294 HydrophobicContact CG-SD 3.59Å; P281-M294 VanDerWaalsContact CG-SD 3.59Å
282A79.4Confident80.7Confident15 Ų1563.7 Ų63.712%0.12433%0.328CS..SBendtrans-141.695.1173.100000110.4W280 R284 G285 E289 M290W280-A282 PolarHBondContact O-N 3.1Å; A282-R284 PolarHBondContact O-N 2.88Å; A282-G285 PolarHBondContact O-N 3.13Å; A282-E289 HydrophobicContact CB-CB 4.36Å; A282-M290 HydrophobicContact CB-CG 3.87Å; A282-M290 WeakPolarHBondContact O-CE 3.29Å
283P70.6Confident81.2Confident88 Ų8857 Ų5757%0.57130%0.3SS*.THydrogen-bonded Turntrans-65.9-15.3-169.522.2-32.3000115.5W280W280-P283 HydrophobicContact CB-CB 4.35Å
284R75.6Confident81.5Confident255 Ų25555.9 Ų55.996%0.96229%0.294SS*.THydrogen-bonded Turntrans-124.17.3173.9-61.1-172.8-179.9-154.5-0.1113.1A282A282-R284 PolarHBondContact O-N 2.88Å
285G78.8Confident81.5Confident21 Ų2155.3 Ų55.322%0.21629%0.289CS..SBendtrans-93171.9-173.200000113.3A282 E289A282-G285 PolarHBondContact O-N 3.13Å; G285-E289 WeakPolarHBondContact CA-OE2 3.45Å
286T86Confident81.6Confident79 Ų7954.9 Ų54.949%0.48529%0.288SS..  trans-76.7163.2171.363.20000111.4R288 E289 M290T286-R288 PolarHBondContact O-N 3.06Å; T286-R288 VanDerWaalsContact O-N 3.14Å; T286-E289 PolarHBondContact N-OE2 3.42Å; T286-E289 PolarHBondContact O-N 2.99Å; T286-E289 PolarHBondContact OG1-N 2.91Å; T286-M290 WeakPolarHBondContact O-CG 3.37Å; T286-M290 PolarHBondContact O-N 3.04Å
287V84.2Confident81.6Confident40 Ų4055 Ų5524%0.24229%0.289CS..Hα-helixtrans-54.2-34175-177.10000111.6M290 L291 A344 L345 E348V287-M290 WeakPolarHBondContact O-CB 3.48Å; V287-M290 PolarHBondContact O-N 3.16Å; V287-L291 WeakPolarHBondContact O-CG 3.37Å; V287-L291 PolarHBondContact O-N 2.93Å; V287-A344 HydrophobicContact CG2-CB 4.11Å; V287-L345 HydrophobicContact CG1-CD2 3.64Å; V287-L345 HydrophobicContact CG1-CG 4.04Å; V287-E348 HydrophobicContact CG1-CB 4.26Å; V287-E348 HydrophobicContact CG1-CG 3.83Å
288R83.9Confident81.7Confident191 Ų19152.6 Ų52.672%0.72128%0.277SS*.Hα-helixtrans-68.2-41.8176.8-69.5-179176.1160.7-0.6113.1T286 M290 L291 D292T286-R288 PolarHBondContact O-N 3.06Å; T286-R288 VanDerWaalsContact O-N 3.14Å; R288-M290 VanDerWaalsContact C-N 3.29Å; R288-M290 PolarHBondContact O-N 3.28Å; R288-L291 PolarHBondContact O-N 2.95Å; R288-D292 PolarHBondContact O-N 3.01Å
289E84.7Confident81.4Confident103 Ų10356.6 Ų56.648%0.48130%0.298SS..Hα-helixtrans-66-35.3174.9-69.9168.2-160.900111.4A282 G285 T286 D292 V293A282-E289 HydrophobicContact CB-CB 4.36Å; G285-E289 WeakPolarHBondContact CA-OE2 3.45Å; T286-E289 PolarHBondContact N-OE2 3.42Å; T286-E289 PolarHBondContact O-N 2.99Å; T286-E289 PolarHBondContact OG1-N 2.91Å; E289-D292 PolarHBondContact O-N 3.16Å; E289-V293 WeakPolarHBondContact O-CG2 3.38Å; E289-V293 PolarHBondContact O-N 3.15Å; E289-V293 VanDerWaalsContact O-N 3.14Å
290M85.1Confident81.3Confident6 Ų665.2 Ų65.23%0.0333%0.33CS..Hα-helixtrans-62.2-45.8173.8-68.9178.1-178.400111.3W280 P281 A282 T286 V287 R288 D292 V293 M294 L345W280-M290 HydrophobicContact CE3-CE 4.38Å; W280-M290 HydrophobicContact CE3-SD 4.48Å; P281-M290 HydrophobicContact CB-CB 4.21Å; P281-M290 WeakPolarHBondContact CB-O 3.4Å; P281-M290 HydrophobicContact CG-CB 3.96Å; P281-M290 HydrophobicContact CG-CG 4.34Å; A282-M290 HydrophobicContact CB-CG 3.87Å; A282-M290 WeakPolarHBondContact O-CE 3.29Å; T286-M290 WeakPolarHBondContact O-CG 3.37Å; T286-M290 PolarHBondContact O-N 3.04Å; V287-M290 WeakPolarHBondContact O-CB 3.48Å; V287-M290 PolarHBondContact O-N 3.16Å; R288-M290 VanDerWaalsContact C-N 3.29Å; R288-M290 PolarHBondContact O-N 3.28Å; M290-D292 VanDerWaalsContact C-N 3.35Å; M290-D292 PolarHBondContact O-N 3.5Å; M290-V293 PolarHBondContact O-N 2.89Å; M290-M294 WeakPolarHBondContact O-CG 3.46Å; M290-M294 PolarHBondContact O-N 3.49Å; M290-L345 HydrophobicContact CB-CD2 3.72Å; M290-L345 HydrophobicContact CG-CD2 4.45Å; M290-L345 HydrophobicContact SD-CD1 3.85Å; M290-L345 HydrophobicContact SD-CD2 3.86Å; M290-L345 HydrophobicContact SD-CG 4.19Å
291L83.7Confident80.9Confident12 Ų1273.2 Ų73.26%0.06337%0.365CS..Hα-helixtrans-62.6-40176-71.8174000113.1V287 R288 V293 M294 L295 E348 L349 L352V287-L291 WeakPolarHBondContact O-CG 3.37Å; V287-L291 PolarHBondContact O-N 2.93Å; R288-L291 PolarHBondContact O-N 2.95Å; L291-V293 VanDerWaalsContact C-N 3.33Å; L291-V293 PolarHBondContact O-N 3.19Å; L291-M294 HydrophobicContact CD2-SD 4.45Å; L291-M294 PolarHBondContact O-N 2.91Å; L291-L295 WeakPolarHBondContact O-CB 3.38Å; L291-L295 PolarHBondContact O-N 3.38Å; L291-E348 HydrophobicContact CD1-CB 3.57Å; L291-E348 HydrophobicContact CD1-CG 4.42Å; L291-L349 HydrophobicContact CD2-CD2 3.36Å; L291-L349 HydrophobicContact CD2-CG 3.69Å; L291-L352 HydrophobicContact CD1-CD1 3.99Å; L291-L352 HydrophobicContact CD2-CD1 4.4Å
292D85.1Confident81.1Confident96 Ų9676.4 Ų76.451%0.51338%0.382SS..Hα-helixtrans-59.2-45.6177-17047.2000110.8R288 E289 M290 H296R288-D292 PolarHBondContact O-N 3.01Å; E289-D292 PolarHBondContact O-N 3.16Å; M290-D292 VanDerWaalsContact C-N 3.35Å; M290-D292 PolarHBondContact O-N 3.5Å; D292-H296 WeakPolarHBondContact O-CA 3.47Å; D292-H296 VanDerWaalsContact O-CB 3.23Å; D292-H296 WeakPolarHBondContact O-CB 3.27Å; D292-H296 PolarHBondContact O-N 3.38Å
293V86.6Confident81.1Confident16 Ų1680.6 Ų80.610%0.09740%0.399CS..Hα-helixtrans-65-41.2175.7176.40000112.2K249 P281 E289 M290 L291K249-V293 HydrophobicContact CB-CG1 4.26Å; P281-V293 HydrophobicContact CB-CB 3.86Å; P281-V293 HydrophobicContact CB-CG1 3.87Å; E289-V293 WeakPolarHBondContact O-CG2 3.38Å; E289-V293 PolarHBondContact O-N 3.15Å; E289-V293 VanDerWaalsContact O-N 3.14Å; M290-V293 PolarHBondContact O-N 2.89Å; L291-V293 VanDerWaalsContact C-N 3.33Å; L291-V293 PolarHBondContact O-N 3.19Å
294M84.6Confident81.7Confident3 Ų379.9 Ų79.92%0.01540%0.4CS..Hα-helixtrans-67.5-36-178.4-68.9166.181.400113.1Y253 P281 M290 L291 Q313 W317 L349Y253-M294 HydrophobicContact CE1-CG 3.91Å; Y253-M294 HydrophobicContact CE2-CG 4.48Å; P281-M294 HydrophobicContact CB-CG 3.91Å; P281-M294 HydrophobicContact CG-CG 3.44Å; P281-M294 VanDerWaalsContact CG-CG 3.44Å; P281-M294 HydrophobicContact CG-SD 3.59Å; P281-M294 VanDerWaalsContact CG-SD 3.59Å; M290-M294 WeakPolarHBondContact O-CG 3.46Å; M290-M294 PolarHBondContact O-N 3.49Å; L291-M294 HydrophobicContact CD2-SD 4.45Å; L291-M294 PolarHBondContact O-N 2.91Å; M294-Q313 HydrophobicContact CB-CG 4.46Å; M294-Q313 HydrophobicContact CE-CB 3.7Å; M294-Q313 HydrophobicContact CE-CG 3.81Å; M294-W317 HydrophobicContact CE-CG 4.19Å; M294-L349 HydrophobicContact CE-CD1 4.31Å
295L83.1Confident82.1Confident21 Ų2169.5 Ų69.511%0.1137%0.369CS..Hα-helixtrans-102.80.6-175.7-60.6172.9000112.9L291 G297 V298 F306 L310 L352L291-L295 WeakPolarHBondContact O-CB 3.38Å; L291-L295 PolarHBondContact O-N 3.38Å; L295-G297 PolarHBondContact O-N 3.4Å; L295-V298 PolarHBondContact O-N 3.42Å; L295-F306 HydrophobicContact CD1-CE2 4.41Å; L295-F306 HydrophobicContact CD1-CZ 3.95Å; L295-F306 HydrophobicContact CD2-CZ 4.46Å; L295-L310 HydrophobicContact CD1-CD1 4.34Å; L295-L310 HydrophobicContact CD2-CD1 4.26Å; L295-L352 HydrophobicContact CD1-CD1 3.91Å
296H82.3Confident82.4Confident18 Ų1868.9 Ų68.98%0.08336%0.36CS..THydrogen-bonded Turntrans-55.3136.3177.9-178.2-96.7000111.5E243 R246 K250 D292 V298E243-H296 VanDerWaalsContact CD-CE1 3.46Å; E243-H296 IonicContact OE1-CE1 2.85Å; E243-H296 PolarHBondContact OE1-CE1 2.93Å; E243-H296 IonicContact OE1-NE2 3.1Å; E243-H296 PolarHBondContact OE1-NE2 3.3Å; E243-H296 IonicContact OE2-CE1 2.74Å; E243-H296 IonicContact OE2-NE2 3.93Å; E243-H296 PolarHBondContact OE2-NE2 3.05Å; R246-H296 VanDerWaalsContact CB-NE2 3.3Å; R246-H296 WeakPolarHBondContact CB-NE2 3.33Å; K250-H296 HydrophobicContact CD-CB 4.22Å; K250-H296 WeakPolarHBondContact CD-O 3.07Å; K250-H296 WeakPolarHBondContact CE-O 3.31Å; K250-H296 PolarHBondContact NZ-O 2.96Å; D292-H296 WeakPolarHBondContact O-CA 3.47Å; D292-H296 VanDerWaalsContact O-CB 3.23Å; D292-H296 WeakPolarHBondContact O-CB 3.27Å; D292-H296 PolarHBondContact O-N 3.38Å; H296-V298 VanDerWaalsContact C-N 3.28Å; H296-V298 PolarHBondContact O-N 2.89Å
297G77.1Confident82.3Confident67 Ų6769.6 Ų69.669%0.69135%0.354SS*.THydrogen-bonded Turntrans73.96.9179.900000116L295L295-G297 PolarHBondContact O-N 3.4Å
298V81.6Confident82.4Confident30 Ų3075.7 Ų75.718%0.18238%0.377CS..  trans-102.5113.6168.9-169.60000108.7L295 H296 R300 A305 F306 A309L295-V298 PolarHBondContact O-N 3.42Å; H296-V298 VanDerWaalsContact C-N 3.28Å; H296-V298 PolarHBondContact O-N 2.89Å; V298-R300 PolarHBondContact O-N 3.5Å; V298-A305 HydrophobicContact CG1-CB 4.36Å; V298-F306 HydrophobicContact CB-CD2 4.36Å; V298-F306 HydrophobicContact CG1-CB 4.03Å; V298-F306 HydrophobicContact CG1-CD2 3.99Å; V298-F306 HydrophobicContact CG1-CG 4.4Å; V298-A309 HydrophobicContact CG1-CB 4.27Å; V298-A309 HydrophobicContact CG2-CB 3.98Å
299D75.8Confident82.5Confident95 Ų9567.7 Ų67.751%0.50835%0.352SS..  trans-66.4129.8-179.4-166.8-9.4000110.1K301 D302D299-K301 PolarHBondContact O-N 2.87Å; D299-K301 WeakPolarHBondContact OD1-CB 3.25Å; D299-K301 PolarHBondContact OD1-N 2.92Å; D299-D302 PolarHBondContact O-N 3.48Å
300R76.3Confident82.6Confident187 Ų18763 Ų6371%0.70633%0.331SS*.SBendtrans-66.3-22.5174.1-66.4-175.5-179.7-169.50.4111.8V298 F306V298-R300 PolarHBondContact O-N 3.5Å; R300-F306 HydrophobicContact CG-CD2 4.14Å; R300-F306 HydrophobicContact CG-CE2 3.91Å
301K74.8Confident82.6Confident182 Ų18270.8 Ų70.879%0.79136%0.359SS*.SBendtrans-72.6-32.3175.8-62179.1179.4179.80112.2D299 Q303D299-K301 PolarHBondContact O-N 2.87Å; D299-K301 WeakPolarHBondContact OD1-CB 3.25Å; D299-K301 PolarHBondContact OD1-N 2.92Å; K301-Q303 VanDerWaalsContact C-N 3.32Å; K301-Q303 PolarHBondContact O-N 3.02Å; K301-Q303 VanDerWaalsContact O-N 3.09Å
302D83.3Confident82.7Confident80 Ų8076.2 Ų76.243%0.42838%0.383SS..  trans-83.281169.6-173.6-11.6000109.7D299 A304 A305 F306D299-D302 PolarHBondContact O-N 3.48Å; D302-A304 PolarHBondContact O-N 3.42Å; D302-A304 VanDerWaalsContact O-N 3.15Å; D302-A304 PolarHBondContact OD1-N 2.99Å; D302-A305 HydrophobicContact CB-CB 4.13Å; D302-A305 VanDerWaalsContact CG-CB 3.42Å; D302-A305 PolarHBondContact O-N 3.45Å; D302-A305 PolarHBondContact OD1-N 3.31Å; D302-A305 VanDerWaalsContact OD2-CB 3.23Å; D302-A305 WeakPolarHBondContact OD2-CB 3.3Å; D302-F306 WeakPolarHBondContact O-CB 3.45Å; D302-F306 PolarHBondContact O-N 3Å
303Q80.1Confident82.8Confident103 Ų10372.1 Ų72.148%0.48136%0.36SS..Hα-helixtrans-57.7-29.3-178.5-66.5-174.3-1500112.9K301 R307K301-Q303 VanDerWaalsContact C-N 3.32Å; K301-Q303 PolarHBondContact O-N 3.02Å; K301-Q303 VanDerWaalsContact O-N 3.09Å; Q303-R307 VanDerWaalsContact O-CB 3.23Å; Q303-R307 WeakPolarHBondContact O-CB 3.21Å; Q303-R307 WeakPolarHBondContact O-CD 3.47Å; Q303-R307 WeakPolarHBondContact O-CG 3.36Å; Q303-R307 PolarHBondContact O-N 3.09Å
304A83Confident82.8Confident72 Ų7273.4 Ų73.460%0.59537%0.365SS*.Hα-helixtrans-74.1-48.6-179.500000111.2D302 F306 R307 K308D302-A304 PolarHBondContact O-N 3.42Å; D302-A304 VanDerWaalsContact O-N 3.15Å; D302-A304 PolarHBondContact OD1-N 2.99Å; A304-F306 VanDerWaalsContact C-N 3.35Å; A304-R307 PolarHBondContact O-N 2.81Å; A304-K308 WeakPolarHBondContact O-CB 3.45Å; A304-K308 PolarHBondContact O-N 3.34Å
305A83.8Confident82.8Confident37 Ų3776.3 Ų76.331%0.30638%0.383SS..Hα-helixtrans-63.7-41.4175.200000111.6V298 D302 K308 A309V298-A305 HydrophobicContact CG1-CB 4.36Å; D302-A305 HydrophobicContact CB-CB 4.13Å; D302-A305 VanDerWaalsContact CG-CB 3.42Å; D302-A305 PolarHBondContact O-N 3.45Å; D302-A305 PolarHBondContact OD1-N 3.31Å; D302-A305 VanDerWaalsContact OD2-CB 3.23Å; D302-A305 WeakPolarHBondContact OD2-CB 3.3Å; A305-K308 PolarHBondContact O-N 2.94Å; A305-A309 WeakPolarHBondContact O-CB 3.3Å; A305-A309 PolarHBondContact O-N 2.88Å
306F85.6Confident82.8Confident8 Ų876.9 Ų76.94%0.03539%0.386CS..Hα-helixtrans-61.8-48.9176.9-166-81.5000112.1L295 V298 R300 D302 A304 K308 A309 L310 L356L295-F306 HydrophobicContact CD1-CE2 4.41Å; L295-F306 HydrophobicContact CD1-CZ 3.95Å; L295-F306 HydrophobicContact CD2-CZ 4.46Å; V298-F306 HydrophobicContact CB-CD2 4.36Å; V298-F306 HydrophobicContact CG1-CB 4.03Å; V298-F306 HydrophobicContact CG1-CD2 3.99Å; V298-F306 HydrophobicContact CG1-CG 4.4Å; R300-F306 HydrophobicContact CG-CD2 4.14Å; R300-F306 HydrophobicContact CG-CE2 3.91Å; D302-F306 WeakPolarHBondContact O-CB 3.45Å; D302-F306 PolarHBondContact O-N 3Å; A304-F306 VanDerWaalsContact C-N 3.35Å; F306-K308 VanDerWaalsContact C-N 3.3Å; F306-K308 PolarHBondContact O-N 3.41Å; F306-A309 PolarHBondContact O-N 3.49Å; F306-L310 HydrophobicContact CE1-CD1 4.42Å; F306-L310 HydrophobicContact CE1-CD2 4.24Å; F306-L310 VanDerWaalsContact O-CB 3.3Å; F306-L310 WeakPolarHBondContact O-CB 3.38Å; F306-L310 PolarHBondContact O-N 3.32Å; F306-L356 HydrophobicContact CD1-CD1 3.22Å; F306-L356 HydrophobicContact CE1-CD1 3.23Å; F306-L356 HydrophobicContact CE1-CG 4.5Å; F306-L356 HydrophobicContact CG-CD1 4.39Å; F306-L356 HydrophobicContact CZ-CD1 4.39Å
307R84.3Confident82.9Confident95 Ų9576 Ų7636%0.35838%0.382SS..Hα-helixtrans-61.7-37.1176.5-75.5171.5177.61681.7112.1Q303 A304 R311 L356Q303-R307 VanDerWaalsContact O-CB 3.23Å; Q303-R307 WeakPolarHBondContact O-CB 3.21Å; Q303-R307 WeakPolarHBondContact O-CD 3.47Å; Q303-R307 WeakPolarHBondContact O-CG 3.36Å; Q303-R307 PolarHBondContact O-N 3.09Å; A304-R307 PolarHBondContact O-N 2.81Å; R307-R311 WeakPolarHBondContact O-CB 3.45Å; R307-R311 VanDerWaalsContact O-CG 3.26Å; R307-R311 WeakPolarHBondContact O-CG 3.23Å; R307-R311 PolarHBondContact O-N 3.44Å; R307-L356 PolarHBondContact NH2-O 3.25Å
308K85.8Confident83.3Confident167 Ų16776.6 Ų76.673%0.72637%0.367SS*.Hα-helixtrans-65.8-46.4176.7-174.1178.9180179.80111.7A304 A305 F306 R311 K312A304-K308 WeakPolarHBondContact O-CB 3.45Å; A304-K308 PolarHBondContact O-N 3.34Å; A305-K308 PolarHBondContact O-N 2.94Å; F306-K308 VanDerWaalsContact C-N 3.3Å; F306-K308 PolarHBondContact O-N 3.41Å; K308-R311 PolarHBondContact O-N 3.35Å; K308-K312 PolarHBondContact O-N 2.83Å; K308-K312 VanDerWaalsContact O-N 3.1Å
309A85.1Confident83.5Confident24 Ų2476.8 Ų76.820%0.19837%0.369CS..Hα-helixtrans-62.7-43.6176.600000111.5V298 A305 F306 K312 Q313V298-A309 HydrophobicContact CG1-CB 4.27Å; V298-A309 HydrophobicContact CG2-CB 3.98Å; A305-A309 WeakPolarHBondContact O-CB 3.3Å; A305-A309 PolarHBondContact O-N 2.88Å; F306-A309 PolarHBondContact O-N 3.49Å; A309-K312 WeakPolarHBondContact O-CB 3.44Å; A309-K312 PolarHBondContact O-N 2.98Å; A309-Q313 WeakPolarHBondContact O-CG 3.44Å; A309-Q313 PolarHBondContact O-N 2.9Å
310L86.6Confident83.8Confident5 Ų576.6 Ų76.63%0.02637%0.368CS..Hα-helixtrans-62.4-45.7178.6-165.570.8000112L295 F306 K312 Q313 Q314 L349 L352 A353 L356L295-L310 HydrophobicContact CD1-CD1 4.34Å; L295-L310 HydrophobicContact CD2-CD1 4.26Å; F306-L310 HydrophobicContact CE1-CD1 4.42Å; F306-L310 HydrophobicContact CE1-CD2 4.24Å; F306-L310 VanDerWaalsContact O-CB 3.3Å; F306-L310 WeakPolarHBondContact O-CB 3.38Å; F306-L310 PolarHBondContact O-N 3.32Å; L310-K312 VanDerWaalsContact C-N 3.32Å; L310-K312 PolarHBondContact O-N 3.49Å; L310-Q313 PolarHBondContact O-N 2.96Å; L310-Q314 WeakPolarHBondContact O-CB 3.27Å; L310-Q314 VanDerWaalsContact O-CG 3.32Å; L310-Q314 WeakPolarHBondContact O-CG 3.45Å; L310-Q314 PolarHBondContact O-N 2.93Å; L310-L349 HydrophobicContact CD1-CD2 3.68Å; L310-L352 HydrophobicContact CD1-CB 4.42Å; L310-A353 VanDerWaalsContact CD2-CA 3.47Å; L310-A353 HydrophobicContact CD2-CB 3.48Å; L310-A353 VanDerWaalsContact CD2-CB 3.48Å; L310-A353 HydrophobicContact CG-CB 4.49Å; L310-L356 HydrophobicContact CD2-CD1 4.38Å
311R85.4Confident84Confident168 Ų16872.1 Ų72.163%0.63435%0.353SS*.Hα-helixtrans-61.4-38.5175.4-73.8175.6-172173.92.8112.5R307 K308 Q314 T315R307-R311 WeakPolarHBondContact O-CB 3.45Å; R307-R311 VanDerWaalsContact O-CG 3.26Å; R307-R311 WeakPolarHBondContact O-CG 3.23Å; R307-R311 PolarHBondContact O-N 3.44Å; K308-R311 PolarHBondContact O-N 3.35Å; R311-Q314 PolarHBondContact O-N 2.93Å; R311-T315 WeakPolarHBondContact O-CG2 3.27Å; R311-T315 PolarHBondContact O-N 3.14Å; R311-T315 PolarHBondContact O-OG1 2.79Å
312K85.7Confident84.4Confident127 Ų12763.5 Ų63.555%0.55232%0.316SS*.Hα-helixtrans-60.7-46.7175.5-172.9-176.1177.7-170.70110.4K308 A309 L310 T315 L316K308-K312 PolarHBondContact O-N 2.83Å; K308-K312 VanDerWaalsContact O-N 3.1Å; A309-K312 WeakPolarHBondContact O-CB 3.44Å; A309-K312 PolarHBondContact O-N 2.98Å; L310-K312 VanDerWaalsContact C-N 3.32Å; L310-K312 PolarHBondContact O-N 3.49Å; K312-T315 PolarHBondContact O-N 3.37Å; K312-T315 PolarHBondContact O-OG1 3.43Å; K312-L316 HydrophobicContact CG-CD1 4.22Å; K312-L316 WeakPolarHBondContact O-CD1 3.48Å; K312-L316 VanDerWaalsContact O-CG 3.31Å; K312-L316 WeakPolarHBondContact O-CG 3.49Å; K312-L316 PolarHBondContact O-N 3.46Å
313Q87.1Confident84.3Confident10 Ų1060.3 Ų60.35%0.04730%0.301CS..Hα-helixtrans-70.6-38.7178.6-61.8-55.8-26.200112.9Y253 M294 A309 L310 T315 L316 W317 L349Y253-Q313 PolarHBondContact OH-OE1 3.26Å; M294-Q313 HydrophobicContact CB-CG 4.46Å; M294-Q313 HydrophobicContact CE-CB 3.7Å; M294-Q313 HydrophobicContact CE-CG 3.81Å; A309-Q313 WeakPolarHBondContact O-CG 3.44Å; A309-Q313 PolarHBondContact O-N 2.9Å; L310-Q313 PolarHBondContact O-N 2.96Å; Q313-T315 VanDerWaalsContact C-N 3.3Å; Q313-T315 PolarHBondContact O-N 3.3Å; Q313-L316 PolarHBondContact O-N 2.93Å; Q313-W317 PolarHBondContact O-N 3.34Å; Q313-L349 HydrophobicContact CB-CD1 4.18Å; Q313-L349 HydrophobicContact CB-CD2 4.3Å
314Q86.6Confident84.3Confident43 Ų4362 Ų6220%0.20131%0.309CS..Hα-helixtrans-59.4-39.3174.9-78.3176.4-35.100112.6L310 R311 H318 L349 N350 A353L310-Q314 WeakPolarHBondContact O-CB 3.27Å; L310-Q314 VanDerWaalsContact O-CG 3.32Å; L310-Q314 WeakPolarHBondContact O-CG 3.45Å; L310-Q314 PolarHBondContact O-N 2.93Å; R311-Q314 PolarHBondContact O-N 2.93Å; Q314-H318 WeakPolarHBondContact O-CB 3.23Å; Q314-H318 PolarHBondContact O-N 2.87Å; Q314-H318 VanDerWaalsContact O-N 3.07Å; Q314-L349 HydrophobicContact CG-CB 4.05Å; Q314-N350 PolarHBondContact NE2-OD1 3.34Å; Q314-A353 VanDerWaalsContact NE2-CB 3.33Å
315T84.6Confident84Confident64 Ų6464.9 Ų64.939%0.39330%0.304SS..Hα-helixtrans-74.8-29.1178.351.60000113.1R311 K312 Q313R311-T315 WeakPolarHBondContact O-CG2 3.27Å; R311-T315 PolarHBondContact O-N 3.14Å; R311-T315 PolarHBondContact O-OG1 2.79Å; K312-T315 PolarHBondContact O-N 3.37Å; K312-T315 PolarHBondContact O-OG1 3.43Å; Q313-T315 VanDerWaalsContact C-N 3.3Å; Q313-T315 PolarHBondContact O-N 3.3Å
316L82.9Confident83.5Confident32 Ų3263.4 Ų63.417%0.16829%0.292CS..Hα-helixtrans-74.3-41174.9-73.4167.3000112.2K312 Q313K312-L316 HydrophobicContact CG-CD1 4.22Å; K312-L316 WeakPolarHBondContact O-CD1 3.48Å; K312-L316 VanDerWaalsContact O-CG 3.31Å; K312-L316 WeakPolarHBondContact O-CG 3.49Å; K312-L316 PolarHBondContact O-N 3.46Å; Q313-L316 PolarHBondContact O-N 2.93Å
317W85.3Confident82.9Confident0 Ų067.2 Ų67.20%031%0.309CS..SBendtrans-107.721.6-173.4-63.598000113.7Y253 I278 W280 M294 Q313 F322 V342 L345 S346 L349Y253-W317 HydrophobicContact CE2-CZ2 4.14Å; Y253-W317 PolarHBondContact OH-NE1 3.38Å; I278-W317 HydrophobicContact CG2-CH2 3.97Å; I278-W317 HydrophobicContact CG2-CZ3 4.23Å; W280-W317 AromaticContact CE3-CH2 3.84Å; W280-W317 HydrophobicContact CE3-CH2 3.84Å; W280-W317 AromaticContact CE3-CZ3 3.91Å; W280-W317 HydrophobicContact CE3-CZ3 3.91Å; W280-W317 HydrophobicContact CH2-CZ3 4.12Å; W280-W317 HydrophobicContact CZ3-CE3 4.37Å; W280-W317 AromaticContact CZ3-CH2 3.89Å; W280-W317 HydrophobicContact CZ3-CH2 3.89Å; W280-W317 AromaticContact CZ3-CZ3 3.45Å; W280-W317 HydrophobicContact CZ3-CZ3 3.45Å; W280-W317 VanDerWaalsContact CZ3-CZ3 3.45Å; M294-W317 HydrophobicContact CE-CG 4.19Å; Q313-W317 PolarHBondContact O-N 3.34Å; W317-F322 HydrophobicContact CE3-CD2 4.46Å; W317-F322 HydrophobicContact CE3-CE2 4.49Å; W317-F322 HydrophobicContact CZ3-CE2 4.15Å; W317-V342 HydrophobicContact CE3-CG1 4.37Å; W317-V342 HydrophobicContact CE3-CG2 3.9Å; W317-V342 HydrophobicContact CZ3-CG2 3.99Å; W317-V342 WeakPolarHBondContact O-CG1 3.37Å; W317-L345 HydrophobicContact CE3-CD1 4.3Å; W317-S346 WeakPolarHBondContact O-CB 3.42Å; W317-L349 HydrophobicContact CB-CD1 4.32Å
318H86.3Confident82.4Confident79 Ų7967.9 Ų67.937%0.36634%0.336SS..  trans-71.9128.7171.8-170-85.2000109.6Q314 D320 K321 F322Q314-H318 WeakPolarHBondContact O-CB 3.23Å; Q314-H318 PolarHBondContact O-N 2.87Å; Q314-H318 VanDerWaalsContact O-N 3.07Å; H318-D320 VanDerWaalsContact C-N 3.32Å; H318-D320 PolarHBondContact ND1-N 3.22Å; H318-D320 PolarHBondContact O-N 3.42Å; H318-K321 HydrophobicContact CB-CB 4.14Å; H318-K321 HydrophobicContact CB-CD 4.38Å; H318-K321 HydrophobicContact CB-CG 4.19Å; H318-K321 PolarHBondContact O-N 3Å; H318-K321 VanDerWaalsContact O-N 3.15Å; H318-F322 VanDerWaalsContact O-CB 3.25Å; H318-F322 WeakPolarHBondContact O-CB 3.29Å; H318-F322 PolarHBondContact O-N 3.31Å
319P84.4Confident81.8Confident34 Ų3462.3 Ų62.322%0.22131%0.31CS..Hα-helixtrans-53.7-45.8-173.1-27.635000113.4A323P319-A323 VanDerWaalsContact O-CB 3.29Å; P319-A323 WeakPolarHBondContact O-CB 3.44Å; P319-A323 PolarHBondContact O-N 3.18Å
320D82.1Confident81.6Confident91 Ų9161.9 Ų61.949%0.48730%0.304SS..Hα-helixtrans-68.2-44.8179.4-176.630.2000113H318 F322 A323 Q324H318-D320 VanDerWaalsContact C-N 3.32Å; H318-D320 PolarHBondContact ND1-N 3.22Å; H318-D320 PolarHBondContact O-N 3.42Å; D320-F322 VanDerWaalsContact C-N 3.31Å; D320-F322 PolarHBondContact O-N 2.75Å; D320-A323 PolarHBondContact O-N 3.25Å; D320-Q324 VanDerWaalsContact CG-NE2 3.29Å; D320-Q324 WeakPolarHBondContact O-CB 3.34Å; D320-Q324 VanDerWaalsContact O-CG 3.24Å; D320-Q324 WeakPolarHBondContact O-CG 3.4Å; D320-Q324 PolarHBondContact O-N 3.45Å; D320-Q324 PolarHBondContact OD1-NE2 3.44Å; D320-Q324 PolarHBondContact OD2-NE2 2.85Å
321K81.9Confident81.3Confident93 Ų9364.7 Ų64.740%0.40432%0.317SS..Hα-helixtrans-70.4-31.4179-61.7-172.5176.9-175.10112.1H318 R325H318-K321 HydrophobicContact CB-CB 4.14Å; H318-K321 HydrophobicContact CB-CD 4.38Å; H318-K321 HydrophobicContact CB-CG 4.19Å; H318-K321 PolarHBondContact O-N 3Å; H318-K321 VanDerWaalsContact O-N 3.15Å; K321-R325 WeakPolarHBondContact O-CD 3.49Å; K321-R325 VanDerWaalsContact O-CG 3.24Å; K321-R325 WeakPolarHBondContact O-CG 3.47Å; K321-R325 PolarHBondContact O-N 3.28Å
322F82.9Confident81Confident1 Ų165.3 Ų65.30%0.00433%0.327CS..Hα-helixtrans-70.2-45.5174.5-178.3-88.5000110.7F261 I278 W317 H318 D320 R325 C326 L330 I338 L339 V342F261-F322 HydrophobicContact CE1-CD2 4.24Å; F261-F322 AromaticContact CE1-CE2 3.92Å; F261-F322 HydrophobicContact CE1-CE2 3.92Å; F261-F322 HydrophobicContact CZ-CD2 4.39Å; F261-F322 AromaticContact CZ-CE2 3.99Å; F261-F322 HydrophobicContact CZ-CE2 3.99Å; I278-F322 HydrophobicContact CD1-CZ 4.14Å; I278-F322 HydrophobicContact CG2-CZ 4.47Å; W317-F322 HydrophobicContact CE3-CD2 4.46Å; W317-F322 HydrophobicContact CE3-CE2 4.49Å; W317-F322 HydrophobicContact CZ3-CE2 4.15Å; H318-F322 VanDerWaalsContact O-CB 3.25Å; H318-F322 WeakPolarHBondContact O-CB 3.29Å; H318-F322 PolarHBondContact O-N 3.31Å; D320-F322 VanDerWaalsContact C-N 3.31Å; D320-F322 PolarHBondContact O-N 2.75Å; F322-R325 PolarHBondContact O-N 2.97Å; F322-C326 HydrophobicContact CE1-CB 4.22Å; F322-C326 HydrophobicContact CZ-CB 4.21Å; F322-C326 WeakPolarHBondContact O-CB 3.32Å; F322-C326 PolarHBondContact O-N 3.23Å; F322-L330 HydrophobicContact CE1-CD1 4.43Å; F322-I338 HydrophobicContact CE1-CG2 3.61Å; F322-I338 HydrophobicContact CZ-CG2 3.9Å; F322-L339 HydrophobicContact CD1-CD2 4.5Å; F322-V342 HydrophobicContact CB-CG1 4.14Å; F322-V342 HydrophobicContact CD1-CG1 4.38Å; F322-V342 HydrophobicContact CD1-CG2 3.98Å; F322-V342 HydrophobicContact CD2-CG2 4.39Å; F322-V342 HydrophobicContact CE1-CG2 3.95Å; F322-V342 HydrophobicContact CE2-CG2 4.35Å; F322-V342 HydrophobicContact CG-CG1 4.15Å; F322-V342 HydrophobicContact CG-CG2 4.21Å; F322-V342 HydrophobicContact CZ-CG2 4.14Å
323A81.4Confident80.9Confident14 Ų1467.7 Ų67.712%0.11634%0.338CS..Hα-helixtrans-57.2-51.7173.500000110.6P319 D320 R325 C326 E327 L339P319-A323 VanDerWaalsContact O-CB 3.29Å; P319-A323 WeakPolarHBondContact O-CB 3.44Å; P319-A323 PolarHBondContact O-N 3.18Å; D320-A323 PolarHBondContact O-N 3.25Å; A323-R325 PolarHBondContact O-N 3.35Å; A323-C326 PolarHBondContact O-N 3.42Å; A323-E327 HydrophobicContact CB-CB 4.4Å; A323-E327 WeakPolarHBondContact O-CA 3.37Å; A323-E327 WeakPolarHBondContact O-CB 3.43Å; A323-E327 PolarHBondContact O-N 3.47Å; A323-L339 HydrophobicContact CB-CD2 4.43Å
324Q80.4Confident80.7Confident139 Ų13969 Ų6965%0.6535%0.345SS*.Hα-helixtrans-55.1-32.3177.9-71.1169.518.400114.2D320D320-Q324 VanDerWaalsContact CG-NE2 3.29Å; D320-Q324 WeakPolarHBondContact O-CB 3.34Å; D320-Q324 VanDerWaalsContact O-CG 3.24Å; D320-Q324 WeakPolarHBondContact O-CG 3.4Å; D320-Q324 PolarHBondContact O-N 3.45Å; D320-Q324 PolarHBondContact OD1-NE2 3.44Å; D320-Q324 PolarHBondContact OD2-NE2 2.85Å
325R75.2Confident80.6Confident131 Ų13170.1 Ų70.149%0.49435%0.349SS..Hα-helixtrans-86.7-36.8-178.3-73.2172.6179.7178.4-0.9114K321 F322 A323K321-R325 WeakPolarHBondContact O-CD 3.49Å; K321-R325 VanDerWaalsContact O-CG 3.24Å; K321-R325 WeakPolarHBondContact O-CG 3.47Å; K321-R325 PolarHBondContact O-N 3.28Å; F322-R325 PolarHBondContact O-N 2.97Å; A323-R325 PolarHBondContact O-N 3.35Å
326C74.4Confident80.6Confident7 Ų774.5 Ų74.55%0.04736%0.363CS..Hα-helixtrans-118.2-19-166.6-66.10000113.3F322 A323 A328 R329 L330F322-C326 HydrophobicContact CE1-CB 4.22Å; F322-C326 HydrophobicContact CZ-CB 4.21Å; F322-C326 WeakPolarHBondContact O-CB 3.32Å; F322-C326 PolarHBondContact O-N 3.23Å; A323-C326 PolarHBondContact O-N 3.42Å; C326-A328 VanDerWaalsContact C-N 3.31Å; C326-A328 PolarHBondContact O-N 2.92Å; C326-R329 CarbonylContact O-C 3.53Å; C326-R329 WeakPolarHBondContact O-CA 3.3Å; C326-R329 PolarHBondContact O-N 3.4Å; C326-L330 HydrophobicContact CB-CD2 4.41Å; C326-L330 HydrophobicContact CB-CG 4.49Å; C326-L330 WeakPolarHBondContact O-CG 3.48Å; C326-L330 PolarHBondContact O-N 2.91Å; C326-L330 VanDerWaalsContact O-N 3.14Å
327E73.6Confident80.8Confident87 Ų8779.6 Ų79.641%0.40738%0.38SS..G310 helixtrans-56.5-39.5-172.2179.9168.3-158.400113.5A323 R329 L330 K335A323-E327 HydrophobicContact CB-CB 4.4Å; A323-E327 WeakPolarHBondContact O-CA 3.37Å; A323-E327 WeakPolarHBondContact O-CB 3.43Å; A323-E327 PolarHBondContact O-N 3.47Å; E327-R329 PolarHBondContact O-N 2.91Å; E327-L330 PolarHBondContact O-N 3.42Å; E327-K335 WeakPolarHBondContact OE1-CE 3.3Å; E327-K335 IonicContact OE1-NZ 2.72Å; E327-K335 PolarHBondContact OE1-NZ 3.04Å
328A72.8Confident80.8Confident110 Ų11079.6 Ų79.691%0.90938%0.38SS*.G310 helixtrans-66.6-14.9176.900000113.8C326C326-A328 VanDerWaalsContact C-N 3.31Å; C326-A328 PolarHBondContact O-N 2.92Å
329R73.4Confident80.8Confident49 Ų4977.9 Ų77.919%0.18537%0.373CS..G310 helixtrans-114.7-2.1-176.7-65175.461.4-163.5-2113K272 L273 C326 E327K272-R329 CarbonylContact C-O 3.51Å; K272-R329 WeakPolarHBondContact CA-O 3.4Å; L273-R329 HydrophobicContact CD1-CB 4.18Å; L273-R329 HydrophobicContact CG-CB 4.47Å; L273-R329 PolarHBondContact N-O 3.45Å; C326-R329 CarbonylContact O-C 3.53Å; C326-R329 WeakPolarHBondContact O-CA 3.3Å; C326-R329 PolarHBondContact O-N 3.4Å; E327-R329 PolarHBondContact O-N 2.91Å
330L80.4Confident81Confident15 Ų1580.6 Ų80.68%0.07939%0.386CS..BIsolated β-bridgetrans-78.3139.1179.8-68-178.5000111.2L273 I278 F322 C326 E327 K335 I338L273-L330 HydrophobicContact CB-CD2 4.37Å; I278-L330 HydrophobicContact CD1-CD2 4.11Å; F322-L330 HydrophobicContact CE1-CD1 4.43Å; C326-L330 HydrophobicContact CB-CD2 4.41Å; C326-L330 HydrophobicContact CB-CG 4.49Å; C326-L330 WeakPolarHBondContact O-CG 3.48Å; C326-L330 PolarHBondContact O-N 2.91Å; C326-L330 VanDerWaalsContact O-N 3.14Å; E327-L330 PolarHBondContact O-N 3.42Å; L330-K335 HydrophobicContact CD1-CG 4.31Å; L330-I338 HydrophobicContact CD1-CG2 4.27Å; L330-I338 HydrophobicContact CD2-CD1 3.84Å
331E81.5Confident81.3Confident65 Ų6577.7 Ų77.730%0.30437%0.371SS..  trans-69.1133.4168.6-165.9174.8-170.800110.8L273 K333 D334 K335L273-E331 PolarHBondContact O-N 2.9Å; L273-E331 VanDerWaalsContact O-N 3.08Å; E331-K333 PolarHBondContact O-N 2.84Å; E331-K333 VanDerWaalsContact O-N 3.15Å; E331-D334 PolarHBondContact O-N 3.01Å; E331-D334 VanDerWaalsContact O-N 3.14Å; E331-K335 PolarHBondContact O-N 2.87Å
332E78.4Confident81.6Confident181 Ų18173.2 Ų73.285%0.84635%0.352SS*.Hα-helixtrans-58.4-31.7-174.8-71.1179.4162.100113.6
333K82.8Confident81.9Confident176 Ų17675.4 Ų75.477%0.76537%0.365SS*.Hα-helixtrans-65.4-39.1179.6-65.4177.1-177.9168.90112.5E331E331-K333 PolarHBondContact O-N 2.84Å; E331-K333 VanDerWaalsContact O-N 3.15Å
334D84.2Confident82.3Confident37 Ų3776.3 Ų76.320%0.19837%0.373CS..Hα-helixtrans-98.3-13.3-175.9-76-22000112.9Y275 E331 K336 R337 I338Y275-D334 WeakPolarHBondContact CB-OD2 3.18Å; Y275-D334 PolarHBondContact N-OD2 3.37Å; E331-D334 PolarHBondContact O-N 3.01Å; E331-D334 VanDerWaalsContact O-N 3.14Å; D334-K336 VanDerWaalsContact C-N 3.34Å; D334-K336 PolarHBondContact O-N 3.36Å; D334-R337 PolarHBondContact O-N 2.89Å; D334-R337 VanDerWaalsContact O-N 3.11Å; D334-I338 HydrophobicContact CB-CD1 3.7Å; D334-I338 HydrophobicContact CB-CG1 4.27Å; D334-I338 WeakPolarHBondContact O-CD1 3.27Å; D334-I338 WeakPolarHBondContact O-CG1 3.35Å; D334-I338 PolarHBondContact O-N 3.17Å
335K83.1Confident82.7Confident67 Ų6769.7 Ų69.729%0.29134%0.342SS..Hα-helixtrans-48.8-49.7-175.5-175.5175179.2175.80113.2E327 L330 E331 I338 L339E327-K335 WeakPolarHBondContact OE1-CE 3.3Å; E327-K335 IonicContact OE1-NZ 2.72Å; E327-K335 PolarHBondContact OE1-NZ 3.04Å; L330-K335 HydrophobicContact CD1-CG 4.31Å; E331-K335 PolarHBondContact O-N 2.87Å; K335-I338 PolarHBondContact O-N 3.44Å; K335-L339 HydrophobicContact CG-CD1 4.13Å; K335-L339 WeakPolarHBondContact O-CG 3.25Å; K335-L339 PolarHBondContact O-N 2.9Å
336K86.1Confident83.3Confident157 Ų15764 Ų6468%0.68332%0.322SS*.Hα-helixtrans-63.7-48.6-179.4-174.6174-178.7178.80111.7D334 I338 L339 D340D334-K336 VanDerWaalsContact C-N 3.34Å; D334-K336 PolarHBondContact O-N 3.36Å; K336-I338 VanDerWaalsContact C-N 3.3Å; K336-I338 PolarHBondContact O-N 3.36Å; K336-L339 PolarHBondContact O-N 2.92Å; K336-D340 WeakPolarHBondContact O-CB 3.32Å; K336-D340 VanDerWaalsContact O-CG 3.23Å; K336-D340 PolarHBondContact O-N 3.28Å
337R86.4Confident84.1Confident139 Ų13969.7 Ų69.753%0.52535%0.348SS..Hα-helixtrans-59.3-42.8179.4-177.2-177.9175.1-174.8-0.6111.7Y275 D334 T341Y275-R337 HydrophobicContact CD2-CG 3.97Å; Y275-R337 HydrophobicContact CE2-CG 3.87Å; D334-R337 PolarHBondContact O-N 2.89Å; D334-R337 VanDerWaalsContact O-N 3.11Å; R337-T341 WeakPolarHBondContact O-CG2 3.43Å; R337-T341 PolarHBondContact O-N 2.9Å; R337-T341 PolarHBondContact O-OG1 3.27Å; R337-T341 VanDerWaalsContact O-OG1 3.09Å
338I85.9Confident84.8Confident0 Ų069.1 Ų69.10%035%0.345CS..Hα-helixtrans-62-52.8178-66.3162.8000109.9Y275 I278 W280 F322 L330 D334 K335 K336 D340 T341 V342Y275-I338 HydrophobicContact CD2-CG1 3.71Å; I278-I338 HydrophobicContact CD1-CB 4.11Å; I278-I338 HydrophobicContact CD1-CD1 3.43Å; I278-I338 VanDerWaalsContact CD1-CD1 3.43Å; I278-I338 HydrophobicContact CD1-CG1 3.59Å; I278-I338 HydrophobicContact CD1-CG2 3.38Å; W280-I338 HydrophobicContact CH2-CG2 4.26Å; W280-I338 HydrophobicContact CZ2-CG1 4.35Å; W280-I338 HydrophobicContact CZ2-CG2 4.26Å; F322-I338 HydrophobicContact CE1-CG2 3.61Å; F322-I338 HydrophobicContact CZ-CG2 3.9Å; L330-I338 HydrophobicContact CD1-CG2 4.27Å; L330-I338 HydrophobicContact CD2-CD1 3.84Å; D334-I338 HydrophobicContact CB-CD1 3.7Å; D334-I338 HydrophobicContact CB-CG1 4.27Å; D334-I338 WeakPolarHBondContact O-CD1 3.27Å; D334-I338 WeakPolarHBondContact O-CG1 3.35Å; D334-I338 PolarHBondContact O-N 3.17Å; K335-I338 PolarHBondContact O-N 3.44Å; K336-I338 VanDerWaalsContact C-N 3.3Å; K336-I338 PolarHBondContact O-N 3.36Å; I338-D340 VanDerWaalsContact C-N 3.33Å; I338-D340 PolarHBondContact O-N 2.7Å; I338-T341 PolarHBondContact O-N 3.48Å; I338-T341 PolarHBondContact O-OG1 3.46Å; I338-V342 HydrophobicContact CG2-CG2 4.35Å; I338-V342 VanDerWaalsContact O-CG2 3.32Å; I338-V342 WeakPolarHBondContact O-CG2 3.31Å; I338-V342 PolarHBondContact O-N 3.04Å
339L85.6Confident85.5Confident42 Ų4263.9 Ų63.922%0.2230%0.302CS..Hα-helixtrans-61.4-39.4-179.3-69.1173.4000112.5F322 A323 K335 K336 V342 T343F322-L339 HydrophobicContact CD1-CD2 4.5Å; A323-L339 HydrophobicContact CB-CD2 4.43Å; K335-L339 HydrophobicContact CG-CD1 4.13Å; K335-L339 WeakPolarHBondContact O-CG 3.25Å; K335-L339 PolarHBondContact O-N 2.9Å; K336-L339 PolarHBondContact O-N 2.92Å; L339-V342 PolarHBondContact O-N 3.47Å; L339-T343 VanDerWaalsContact O-CB 3.31Å; L339-T343 WeakPolarHBondContact O-CB 3.38Å; L339-T343 PolarHBondContact O-N 2.83Å; L339-T343 PolarHBondContact O-OG1 2.9Å
340D88.7Confident86.2Confident92 Ų9264.7 Ų64.749%0.49231%0.31SS..Hα-helixtrans-61.9-45.3176-69.5-18.4000111.1K336 I338 T343 A344K336-D340 WeakPolarHBondContact O-CB 3.32Å; K336-D340 VanDerWaalsContact O-CG 3.23Å; K336-D340 PolarHBondContact O-N 3.28Å; I338-D340 VanDerWaalsContact C-N 3.33Å; I338-D340 PolarHBondContact O-N 2.7Å; D340-T343 PolarHBondContact O-N 3.26Å; D340-A344 WeakPolarHBondContact O-CB 3.25Å; D340-A344 PolarHBondContact O-N 3.25Å
341T87.4Confident86.7Confident29 Ų2967 Ų6718%0.17833%0.327CS..Hα-helixtrans-66.9-39.5177.553.60000113.5Y275 W280 R337 I338 T343 A344 L345Y275-T341 HydrophobicContact CE2-CG2 4.24Å; W280-T341 WeakPolarHBondContact CH2-OG1 3.29Å; R337-T341 WeakPolarHBondContact O-CG2 3.43Å; R337-T341 PolarHBondContact O-N 2.9Å; R337-T341 PolarHBondContact O-OG1 3.27Å; R337-T341 VanDerWaalsContact O-OG1 3.09Å; I338-T341 PolarHBondContact O-N 3.48Å; I338-T341 PolarHBondContact O-OG1 3.46Å; T341-T343 VanDerWaalsContact C-N 3.32Å; T341-A344 PolarHBondContact O-N 2.9Å; T341-L345 WeakPolarHBondContact O-CB 3.47Å; T341-L345 WeakPolarHBondContact O-CG 3.33Å; T341-L345 PolarHBondContact O-N 3.06Å
342V88.8Confident86.8Confident0 Ų065.9 Ų65.90%032%0.323CS..Hα-helixtrans-64.4-40.6174.1174.80000110.5W280 W317 F322 I338 L339 L345 S346W280-V342 HydrophobicContact CH2-CG2 3.97Å; W280-V342 HydrophobicContact CZ3-CG2 4.26Å; W317-V342 HydrophobicContact CE3-CG1 4.37Å; W317-V342 HydrophobicContact CE3-CG2 3.9Å; W317-V342 HydrophobicContact CZ3-CG2 3.99Å; W317-V342 WeakPolarHBondContact O-CG1 3.37Å; F322-V342 HydrophobicContact CB-CG1 4.14Å; F322-V342 HydrophobicContact CD1-CG1 4.38Å; F322-V342 HydrophobicContact CD1-CG2 3.98Å; F322-V342 HydrophobicContact CD2-CG2 4.39Å; F322-V342 HydrophobicContact CE1-CG2 3.95Å; F322-V342 HydrophobicContact CE2-CG2 4.35Å; F322-V342 HydrophobicContact CG-CG1 4.15Å; F322-V342 HydrophobicContact CG-CG2 4.21Å; F322-V342 HydrophobicContact CZ-CG2 4.14Å; I338-V342 HydrophobicContact CG2-CG2 4.35Å; I338-V342 VanDerWaalsContact O-CG2 3.32Å; I338-V342 WeakPolarHBondContact O-CG2 3.31Å; I338-V342 PolarHBondContact O-N 3.04Å; L339-V342 PolarHBondContact O-N 3.47Å; V342-L345 PolarHBondContact O-N 2.96Å; V342-S346 WeakPolarHBondContact O-CB 3.25Å; V342-S346 PolarHBondContact O-N 2.65Å
343T89.9Confident87.1Confident47 Ų4758.1 Ų58.129%0.28829%0.29SS..Hα-helixtrans-63.2-47.5177.1-56.70000110.9L339 D340 T341 L345 S346 Q347L339-T343 VanDerWaalsContact O-CB 3.31Å; L339-T343 WeakPolarHBondContact O-CB 3.38Å; L339-T343 PolarHBondContact O-N 2.83Å; L339-T343 PolarHBondContact O-OG1 2.9Å; D340-T343 PolarHBondContact O-N 3.26Å; T341-T343 VanDerWaalsContact C-N 3.32Å; T343-L345 PolarHBondContact O-N 3.45Å; T343-S346 PolarHBondContact O-N 2.87Å; T343-S346 PolarHBondContact O-OG 2.73Å; T343-Q347 WeakPolarHBondContact O-CG 3.32Å; T343-Q347 PolarHBondContact O-N 3.44Å
344A89.8Confident87.2Confident32 Ų3256.1 Ų56.126%0.26428%0.283SS..Hα-helixtrans-59.8-44.6175.900000112.4V287 D340 T341 S346 Q347 E348V287-A344 HydrophobicContact CG2-CB 4.11Å; D340-A344 WeakPolarHBondContact O-CB 3.25Å; D340-A344 PolarHBondContact O-N 3.25Å; T341-A344 PolarHBondContact O-N 2.9Å; A344-S346 VanDerWaalsContact C-N 3.34Å; A344-S346 PolarHBondContact O-N 3.37Å; A344-Q347 PolarHBondContact O-N 3.48Å; A344-E348 PolarHBondContact O-N 3.01Å; A344-E348 VanDerWaalsContact O-N 3.14Å
345L88.4Confident87.1Confident0 Ų057.8 Ų57.80%030%0.298CS..Hα-helixtrans-59.9-43.2174.4-79.1165.3000112W280 V287 M290 W317 T341 V342 T343 E348 L349W280-L345 HydrophobicContact CE3-CD1 4.27Å; W280-L345 HydrophobicContact CZ3-CD1 3.92Å; V287-L345 HydrophobicContact CG1-CD2 3.64Å; V287-L345 HydrophobicContact CG1-CG 4.04Å; M290-L345 HydrophobicContact CB-CD2 3.72Å; M290-L345 HydrophobicContact CG-CD2 4.45Å; M290-L345 HydrophobicContact SD-CD1 3.85Å; M290-L345 HydrophobicContact SD-CD2 3.86Å; M290-L345 HydrophobicContact SD-CG 4.19Å; W317-L345 HydrophobicContact CE3-CD1 4.3Å; T341-L345 WeakPolarHBondContact O-CB 3.47Å; T341-L345 WeakPolarHBondContact O-CG 3.33Å; T341-L345 PolarHBondContact O-N 3.06Å; V342-L345 PolarHBondContact O-N 2.96Å; T343-L345 PolarHBondContact O-N 3.45Å; L345-E348 PolarHBondContact O-N 3.1Å; L345-L349 WeakPolarHBondContact O-CB 3.22Å; L345-L349 VanDerWaalsContact O-CG 3.31Å; L345-L349 WeakPolarHBondContact O-CG 3.46Å; L345-L349 PolarHBondContact O-N 3.2Å
346S88.9Confident86.7Confident12 Ų1256.3 Ų56.38%0.08429%0.293CS..Hα-helixtrans-65.4-38.6179.781.20000112.3W317 V342 T343 A344 L349 N350W317-S346 WeakPolarHBondContact O-CB 3.42Å; V342-S346 WeakPolarHBondContact O-CB 3.25Å; V342-S346 PolarHBondContact O-N 2.65Å; T343-S346 PolarHBondContact O-N 2.87Å; T343-S346 PolarHBondContact O-OG 2.73Å; A344-S346 VanDerWaalsContact C-N 3.34Å; A344-S346 PolarHBondContact O-N 3.37Å; S346-L349 PolarHBondContact O-N 2.87Å; S346-N350 WeakPolarHBondContact O-CB 3.43Å; S346-N350 PolarHBondContact O-N 3.31Å; S346-N350 PolarHBondContact O-ND2 3.4Å; S346-N350 VanDerWaalsContact O-ND2 3.11Å
347Q89.8Confident85.8Confident126 Ų12657.2 Ų57.259%0.58930%0.297SS*.Hα-helixtrans-64.1-45.5177.5-74.4174.5-6.600110.9T343 A344 N350 S351T343-Q347 WeakPolarHBondContact O-CG 3.32Å; T343-Q347 PolarHBondContact O-N 3.44Å; A344-Q347 PolarHBondContact O-N 3.48Å; Q347-N350 PolarHBondContact O-N 3.19Å; Q347-S351 WeakPolarHBondContact O-CB 3.4Å; Q347-S351 PolarHBondContact O-N 3.42Å
348E89.4Confident84.3Confident76 Ų7657 Ų5736%0.35533%0.325SS..Hα-helixtrans-68.6-38.8177.8-66.7-72156.900112.3V287 L291 A344 L345 N350 S351 L352V287-E348 HydrophobicContact CG1-CB 4.26Å; V287-E348 HydrophobicContact CG1-CG 3.83Å; L291-E348 HydrophobicContact CD1-CB 3.57Å; L291-E348 HydrophobicContact CD1-CG 4.42Å; A344-E348 PolarHBondContact O-N 3.01Å; A344-E348 VanDerWaalsContact O-N 3.14Å; L345-E348 PolarHBondContact O-N 3.1Å; E348-N350 VanDerWaalsContact C-N 3.29Å; E348-N350 PolarHBondContact O-N 3.39Å; E348-S351 WeakPolarHBondContact O-CB 3.47Å; E348-S351 PolarHBondContact O-N 3.1Å; E348-L352 WeakPolarHBondContact O-CG 3.49Å; E348-L352 PolarHBondContact O-N 3.19Å
349L87.7Confident84.2Confident0 Ų059.9 Ų59.90%034%0.342CS..Hα-helixtrans-60.8-38.6171.8-74.8172000112L291 M294 L310 Q313 Q314 W317 L345 S346 A353L291-L349 HydrophobicContact CD2-CD2 3.36Å; L291-L349 HydrophobicContact CD2-CG 3.69Å; M294-L349 HydrophobicContact CE-CD1 4.31Å; L310-L349 HydrophobicContact CD1-CD2 3.68Å; Q313-L349 HydrophobicContact CB-CD1 4.18Å; Q313-L349 HydrophobicContact CB-CD2 4.3Å; Q314-L349 HydrophobicContact CG-CB 4.05Å; W317-L349 HydrophobicContact CB-CD1 4.32Å; L345-L349 WeakPolarHBondContact O-CB 3.22Å; L345-L349 VanDerWaalsContact O-CG 3.31Å; L345-L349 WeakPolarHBondContact O-CG 3.46Å; L345-L349 PolarHBondContact O-N 3.2Å; S346-L349 PolarHBondContact O-N 2.87Å; L349-A353 WeakPolarHBondContact O-CB 3.31Å; L349-A353 PolarHBondContact O-N 3.07Å
350N88Confident84.2Confident65 Ų6560.8 Ų60.835%0.34835%0.348SS..Hα-helixtrans-70.8-39.8177.1-72.7-25.7000112.1Q314 S346 Q347 E348 A353 Q354Q314-N350 PolarHBondContact NE2-OD1 3.34Å; S346-N350 WeakPolarHBondContact O-CB 3.43Å; S346-N350 PolarHBondContact O-N 3.31Å; S346-N350 PolarHBondContact O-ND2 3.4Å; S346-N350 VanDerWaalsContact O-ND2 3.11Å; Q347-N350 PolarHBondContact O-N 3.19Å; E348-N350 VanDerWaalsContact C-N 3.29Å; E348-N350 PolarHBondContact O-N 3.39Å; N350-A353 WeakPolarHBondContact O-CB 3.24Å; N350-A353 PolarHBondContact O-N 3.11Å; N350-A353 VanDerWaalsContact O-N 3.17Å; N350-Q354 WeakPolarHBondContact O-CG 3.47Å; N350-Q354 PolarHBondContact O-N 3.42Å
351S89.1Confident83.9Confident63 Ų6359.1 Ų59.144%0.44134%0.34SS..Hα-helixtrans-57.7-48.7172.2-178.40000111.2Q347 E348 A353 Q354 S355Q347-S351 WeakPolarHBondContact O-CB 3.4Å; Q347-S351 PolarHBondContact O-N 3.42Å; E348-S351 WeakPolarHBondContact O-CB 3.47Å; E348-S351 PolarHBondContact O-N 3.1Å; S351-A353 VanDerWaalsContact C-N 3.28Å; S351-A353 PolarHBondContact O-N 2.96Å; S351-Q354 PolarHBondContact O-N 2.96Å; S351-Q354 VanDerWaalsContact O-N 3.14Å; S351-S355 PolarHBondContact O-N 3.3Å
352L84.4Confident83.7Confident43 Ų4360.9 Ų60.923%0.22535%0.35CS..Hα-helixtrans-61.9-32.6175-71.9174.2000113.2L291 L295 L310 E348 S355 L356L291-L352 HydrophobicContact CD1-CD1 3.99Å; L291-L352 HydrophobicContact CD2-CD1 4.4Å; L295-L352 HydrophobicContact CD1-CD1 3.91Å; L310-L352 HydrophobicContact CD1-CB 4.42Å; E348-L352 WeakPolarHBondContact O-CG 3.49Å; E348-L352 PolarHBondContact O-N 3.19Å; L352-S355 WeakPolarHBondContact CA-OG 3.32Å; L352-S355 PolarHBondContact O-OG 3.32Å; L352-L356 WeakPolarHBondContact O-CD1 3.37Å; L352-L356 WeakPolarHBondContact O-CG 3.49Å
353A83.9Confident83.4Confident17 Ų1764.7 Ų64.714%0.1437%0.371CS..Hα-helixtrans-72.5-35.4175.900000112.3L310 Q314 L349 N350 S351L310-A353 VanDerWaalsContact CD2-CA 3.47Å; L310-A353 HydrophobicContact CD2-CB 3.48Å; L310-A353 VanDerWaalsContact CD2-CB 3.48Å; L310-A353 HydrophobicContact CG-CB 4.49Å; Q314-A353 VanDerWaalsContact NE2-CB 3.33Å; L349-A353 WeakPolarHBondContact O-CB 3.31Å; L349-A353 PolarHBondContact O-N 3.07Å; N350-A353 WeakPolarHBondContact O-CB 3.24Å; N350-A353 PolarHBondContact O-N 3.11Å; N350-A353 VanDerWaalsContact O-N 3.17Å; S351-A353 VanDerWaalsContact C-N 3.28Å; S351-A353 PolarHBondContact O-N 2.96Å
354Q85.3Confident82.9Confident134 Ų13465.9 Ų65.963%0.62638%0.377SS*.Hα-helixtrans-70.7-41.1176.6-72.7173.5-000111.1N350 S351 L356 K357 A358N350-Q354 WeakPolarHBondContact O-CG 3.47Å; N350-Q354 PolarHBondContact O-N 3.42Å; S351-Q354 PolarHBondContact O-N 2.96Å; S351-Q354 VanDerWaalsContact O-N 3.14Å; Q354-L356 PolarHBondContact O-N 3Å; Q354-L356 VanDerWaalsContact O-N 3.09Å; Q354-K357 PolarHBondContact O-N 3.24Å; Q354-A358 PolarHBondContact O-N 3.43Å
355S82.4Confident82.5Confident73 Ų7368.3 Ų68.351%0.5139%0.385SS..THydrogen-bonded Turntrans-65.1-11176.9680000114.6S351 L352S351-S355 PolarHBondContact O-N 3.3Å; L352-S355 WeakPolarHBondContact CA-OG 3.32Å; L352-S355 PolarHBondContact O-OG 3.32Å
356L74.9Confident82Confident35 Ų3573.5 Ų73.518%0.18342%0.415CS..THydrogen-bonded Turntrans-100.8-4.3174.8-72.8169.3000113.7F306 R307 L310 L352 Q354F306-L356 HydrophobicContact CD1-CD1 3.22Å; F306-L356 HydrophobicContact CE1-CD1 3.23Å; F306-L356 HydrophobicContact CE1-CG 4.5Å; F306-L356 HydrophobicContact CG-CD1 4.39Å; F306-L356 HydrophobicContact CZ-CD1 4.39Å; R307-L356 PolarHBondContact NH2-O 3.25Å; L310-L356 HydrophobicContact CD2-CD1 4.38Å; L352-L356 WeakPolarHBondContact O-CD1 3.37Å; L352-L356 WeakPolarHBondContact O-CG 3.49Å; Q354-L356 PolarHBondContact O-N 3Å; Q354-L356 VanDerWaalsContact O-N 3.09Å
357K67.2Low81.4Confident176 Ų17678.7 Ų78.777%0.76544%0.442SS*.THydrogen-bonded Turntrans-100.4-32.6174.7-72.2178.6179.3-179.60111.4Q354Q354-K357 PolarHBondContact O-N 3.24Å
358A55.1Low80.7Confident136 Ų13674.4 Ų74.4100%1.12443%0.429SS*.  trans-70.2016200000109.6Q354Q354-A358 PolarHBondContact O-N 3.43Å

Retrieved 358 of 358 residues in 96.9 ms (Link to these results)

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