A0A087X5P4_POEFO Loading...

N-acylglucosamine 2-epimerase

AlphaFold DB , UniProt , Accession A0A087X5P4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 414 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
1G44.9Very low53.7Low124 Ų124114.9 Ų114.9100%1.27871%0.71SS**  0142.7000000109.1
2L37.4Very low56Low176 Ų176109.9 Ų109.992%0.92168%0.675SS**  trans94.59.2173.9-71.7149.4000121.3
3V35.4Very low58.5Low131 Ų131111.4 Ų111.479%0.79466%0.661SS**SBendtrans-118.8-1.1178.3-171.30000116.2
4C42.6Very low60.7Low121 Ų121108.6 Ų108.682%0.81864%0.636SS**SBendtrans-115.610.3-176.6-69.30000116.9
5Q41.9Very low62.6Low164 Ų164101.5 Ų101.577%0.76659%0.594SS**SBendtrans-95-5.4-178.7-78.5-177-1800114.9
6S43.6Very low64.4Low95 Ų9596.8 Ų96.866%0.66457%0.565SS**SBendtrans-93.8-3.4-166.358.80000117
7N51.7Low66.1Low157 Ų15798.2 Ų98.284%0.8457%0.565SS**SBendtrans-12411.8-176.1-79.3-2.2000115.5
8L60Low67.5Low59 Ų5993 Ų9331%0.30954%0.535SS..  trans-76.1136.8175.2-69.7161.6000110.1N12L8-N12 HydrophobicContact CB-CB 4.14Å; L8-N12 HydrophobicContact CD2-CB 3.86Å
9S75.4Confident68.9Low46 Ų4688.9 Ų88.932%0.32251%0.51SS..  trans-55.6153.3168.667.10000109.8E11 N12 R13S9-E11 PolarHBondContact O-N 2.64Å; S9-E11 VanDerWaalsContact O-N 3.15Å; S9-N12 PolarHBondContact O-N 2.7Å; S9-N12 WeakPolarHBondContact OG-CB 3.43Å; S9-N12 VanDerWaalsContact OG-CG 3.22Å; S9-N12 PolarHBondContact OG-N 2.92Å; S9-N12 VanDerWaalsContact OG-N 3.14Å; S9-N12 PolarHBondContact OG-ND2 3.03Å; S9-R13 PolarHBondContact O-N 2.98Å
10P77.8Confident70.1Confident113 Ų11389.2 Ų89.273%0.73451%0.506SS*.Hα-helixtrans-52.9-36.5177.2-26.934.8000112.9R13 K14P10-R13 PolarHBondContact O-N 3.49Å; P10-K14 PolarHBondContact O-N 3.2Å; P10-K14 VanDerWaalsContact O-N 3.1Å
11E79.9Confident71.2Confident78 Ų7888.3 Ų88.336%0.36450%0.498SS..Hα-helixtrans-64.3-49.2174.8-66.9173.7-179.800111.8S9 R13 K14 L15 R345S9-E11 PolarHBondContact O-N 2.64Å; S9-E11 VanDerWaalsContact O-N 3.15Å; E11-R13 VanDerWaalsContact C-N 3.25Å; E11-R13 PolarHBondContact O-N 3.24Å; E11-K14 PolarHBondContact O-N 2.97Å; E11-K14 VanDerWaalsContact O-N 3.15Å; E11-L15 WeakPolarHBondContact O-CG 3.42Å; E11-L15 PolarHBondContact O-N 3.44Å; E11-R345 IonicContact OE1-NH1 3.56Å
12N82.2Confident73.6Confident55 Ų5582.5 Ų82.529%0.29444%0.438SS..Hα-helixtrans-65.1-30.7178.3-71.8-5.5000112.3L8 S9 E16 L410L8-N12 HydrophobicContact CB-CB 4.14Å; L8-N12 HydrophobicContact CD2-CB 3.86Å; S9-N12 PolarHBondContact O-N 2.7Å; S9-N12 WeakPolarHBondContact OG-CB 3.43Å; S9-N12 VanDerWaalsContact OG-CG 3.22Å; S9-N12 PolarHBondContact OG-N 2.92Å; S9-N12 VanDerWaalsContact OG-N 3.14Å; S9-N12 PolarHBondContact OG-ND2 3.03Å; N12-E16 WeakPolarHBondContact O-CB 3.34Å; N12-E16 PolarHBondContact O-N 3.35Å; N12-L410 HydrophobicContact CB-CD2 4.15Å
13R87.5Confident76.3Confident129 Ų12978.2 Ų78.249%0.48741%0.409SS..Hα-helixtrans-65.5-45.5172.8-171.7-177.8-60.8174.12.2111.3S9 P10 E11 L15 E16 E17S9-R13 PolarHBondContact O-N 2.98Å; P10-R13 PolarHBondContact O-N 3.49Å; E11-R13 VanDerWaalsContact C-N 3.25Å; E11-R13 PolarHBondContact O-N 3.24Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.15Å; R13-E16 WeakPolarHBondContact O-CB 3.39Å; R13-E16 PolarHBondContact O-N 2.7Å; R13-E17 WeakPolarHBondContact O-CG 3.08Å; R13-E17 PolarHBondContact O-N 3.09Å
14K89.3Confident79.1Confident72 Ų7274.7 Ų74.731%0.31339%0.394SS..Hα-helixtrans-63.7-40.7177.2-165.7175.1180-178.70111.4P10 E11 E16 E17 C18 F352 E356P10-K14 PolarHBondContact O-N 3.2Å; P10-K14 VanDerWaalsContact O-N 3.1Å; E11-K14 PolarHBondContact O-N 2.97Å; E11-K14 VanDerWaalsContact O-N 3.15Å; K14-E16 VanDerWaalsContact C-N 3.33Å; K14-E16 PolarHBondContact O-N 3.1Å; K14-E17 PolarHBondContact O-N 3.06Å; K14-C18 PolarHBondContact O-N 3.25Å; K14-C18 PolarHBondContact O-SG 2.96Å; K14-F352 HydrophobicContact CB-CE1 4.32Å; K14-F352 HydrophobicContact CB-CZ 4.01Å; K14-F352 HydrophobicContact CD-CD1 3.95Å; K14-F352 HydrophobicContact CD-CD2 4.15Å; K14-F352 HydrophobicContact CD-CE1 3.7Å; K14-F352 HydrophobicContact CD-CE2 3.89Å; K14-F352 HydrophobicContact CD-CG 4.18Å; K14-F352 HydrophobicContact CD-CZ 3.67Å; K14-F352 HydrophobicContact CG-CD1 4.27Å; K14-F352 HydrophobicContact CG-CE1 3.65Å; K14-F352 HydrophobicContact CG-CE2 4.47Å; K14-F352 HydrophobicContact CG-CZ 3.76Å; K14-E356 IonicContact NZ-OE1 2.74Å; K14-E356 PolarHBondContact NZ-OE1 3.48Å
15L90Very high81.6Confident2 Ų270.8 Ų70.81%0.0136%0.364CS..Hα-helixtrans-61.7-40.2174.3-71.8174.1000112.4E11 R13 C18 R19 Y339 L348 F352 L406 L410E11-L15 WeakPolarHBondContact O-CG 3.42Å; E11-L15 PolarHBondContact O-N 3.44Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.15Å; L15-C18 PolarHBondContact O-N 3.39Å; L15-R19 WeakPolarHBondContact O-CB 3.4Å; L15-R19 PolarHBondContact O-N 3.48Å; L15-Y339 HydrophobicContact CD1-CE1 4.46Å; L15-L348 HydrophobicContact CD2-CD1 3.81Å; L15-F352 HydrophobicContact CD2-CE1 4.26Å; L15-F352 HydrophobicContact CD2-CZ 3.96Å; L15-F352 HydrophobicContact CG-CZ 4.26Å; L15-L406 HydrophobicContact CB-CD2 4.25Å; L15-L406 HydrophobicContact CD2-CD2 3.67Å; L15-L410 HydrophobicContact CB-CD1 4.47Å; L15-L410 HydrophobicContact CB-CD2 4.2Å
16E91.3Very high84.1Confident27 Ų2763 Ų6313%0.12633%0.327CS..Hα-helixtrans-64.1-44.6175.4-171.667.7-129.900112.2N12 R13 K14 C18 R19 E20 L410 K412N12-E16 WeakPolarHBondContact O-CB 3.34Å; N12-E16 PolarHBondContact O-N 3.35Å; R13-E16 WeakPolarHBondContact O-CB 3.39Å; R13-E16 PolarHBondContact O-N 2.7Å; K14-E16 VanDerWaalsContact C-N 3.33Å; K14-E16 PolarHBondContact O-N 3.1Å; E16-C18 VanDerWaalsContact C-N 3.34Å; E16-C18 PolarHBondContact O-N 3.25Å; E16-R19 WeakPolarHBondContact O-CB 3.46Å; E16-R19 PolarHBondContact O-N 3.1Å; E16-R19 IonicContact OE1-NH1 3.73Å; E16-R19 PolarHBondContact OE1-NH1 3.37Å; E16-E20 PolarHBondContact O-N 2.86Å; E16-L410 HydrophobicContact CB-CD1 4.43Å; E16-K412 IonicContact OE1-NZ 2.64Å; E16-K412 PolarHBondContact OE1-NZ 2.91Å; E16-K412 WeakPolarHBondContact OE2-CE 3.49Å; E16-K412 IonicContact OE2-NZ 2.7Å; E16-K412 PolarHBondContact OE2-NZ 3.19Å
17E92.2Very high86.5Confident121 Ų12161.1 Ų61.157%0.56531%0.31SS*.Hα-helixtrans-61.2-43.9176-71.7169.5-169.200111.2R13 K14 R19 H21R13-E17 WeakPolarHBondContact O-CG 3.08Å; R13-E17 PolarHBondContact O-N 3.09Å; K14-E17 PolarHBondContact O-N 3.06Å; E17-R19 VanDerWaalsContact C-N 3.31Å; E17-R19 PolarHBondContact O-N 3.26Å; E17-H21 WeakPolarHBondContact O-CB 3.49Å; E17-H21 PolarHBondContact O-N 3.39Å; E17-H21 VanDerWaalsContact O-N 3.09Å
18C92.1Very high88.5Confident4 Ų455.9 Ų55.93%0.02729%0.288CS..Hα-helixtrans-58.9-44173.8-72.50000111.6K14 L15 E16 H21 I22 Y355K14-C18 PolarHBondContact O-N 3.25Å; K14-C18 PolarHBondContact O-SG 2.96Å; L15-C18 PolarHBondContact O-N 3.39Å; E16-C18 VanDerWaalsContact C-N 3.34Å; E16-C18 PolarHBondContact O-N 3.25Å; C18-H21 PolarHBondContact O-N 3.4Å; C18-I22 WeakPolarHBondContact O-CB 3.45Å; C18-I22 WeakPolarHBondContact O-CD1 3.15Å; C18-I22 VanDerWaalsContact O-CG1 3.23Å; C18-I22 WeakPolarHBondContact O-CG1 3.46Å; C18-I22 PolarHBondContact O-N 2.87Å; C18-Y355 HydrophobicContact CB-CE2 4.06Å; C18-Y355 VanDerWaalsContact SG-CE1 3.55Å
19R93.3Very high90.2Very high15 Ų1553 Ų536%0.05727%0.273CS..Hα-helixtrans-60.9-51.7179.8-179.4-172.5170.3-86-10.1112L15 E16 E17 H21 I22 R23 L406 D407L15-R19 WeakPolarHBondContact O-CB 3.4Å; L15-R19 PolarHBondContact O-N 3.48Å; E16-R19 WeakPolarHBondContact O-CB 3.46Å; E16-R19 PolarHBondContact O-N 3.1Å; E16-R19 IonicContact OE1-NH1 3.73Å; E16-R19 PolarHBondContact OE1-NH1 3.37Å; E17-R19 VanDerWaalsContact C-N 3.31Å; E17-R19 PolarHBondContact O-N 3.26Å; R19-H21 VanDerWaalsContact C-N 3.28Å; R19-H21 PolarHBondContact O-N 3.09Å; R19-I22 PolarHBondContact O-N 2.83Å; R19-R23 VanDerWaalsContact O-CB 3.31Å; R19-R23 WeakPolarHBondContact O-CB 3.31Å; R19-R23 PolarHBondContact O-N 3.2Å; R19-L406 HydrophobicContact CB-CB 4.07Å; R19-L406 HydrophobicContact CB-CD1 3.88Å; R19-L406 HydrophobicContact CG-CB 4.07Å; R19-L406 HydrophobicContact CG-CD1 4.48Å; R19-D407 IonicContact CZ-OD1 3.2Å; R19-D407 IonicContact NE-OD1 3.37Å; R19-D407 PolarHBondContact NE-OD1 2.71Å; R19-D407 IonicContact NE-OD2 3.82Å; R19-D407 IonicContact NH2-OD1 4Å; R19-D407 PolarHBondContact NH2-OD1 3.02Å; R19-D407 IonicContact NH2-OD2 2.71Å; R19-D407 PolarHBondContact NH2-OD2 3.26Å
20E93.8Very high91.1Very high94 Ų9450.9 Ų50.944%0.43926%0.258SS..Hα-helixtrans-61.6-39.2179.7-70.7-61.114000111.4E16 R23 A24E16-E20 PolarHBondContact O-N 2.86Å; E20-R23 PolarHBondContact O-N 3.45Å; E20-A24 WeakPolarHBondContact O-CB 3Å; E20-A24 PolarHBondContact O-N 3.2Å
21H94.1Very high91.9Very high71 Ų7149.8 Ų49.833%0.32924%0.243SC..Hα-helixtrans-67.1-44.7175.7-174-160.1000112.3E17 C18 R19 R23 A24 Q25 Y355 F359E17-H21 WeakPolarHBondContact O-CB 3.49Å; E17-H21 PolarHBondContact O-N 3.39Å; E17-H21 VanDerWaalsContact O-N 3.09Å; C18-H21 PolarHBondContact O-N 3.4Å; R19-H21 VanDerWaalsContact C-N 3.28Å; R19-H21 PolarHBondContact O-N 3.09Å; H21-R23 VanDerWaalsContact C-N 3.32Å; H21-R23 PolarHBondContact O-N 3.5Å; H21-A24 PolarHBondContact O-N 2.91Å; H21-Q25 PolarHBondContact NE2-NE2 2.62Å; H21-Q25 WeakPolarHBondContact O-CB 3.49Å; H21-Q25 WeakPolarHBondContact O-CG 3.37Å; H21-Q25 PolarHBondContact O-N 3.43Å; H21-Y355 WeakPolarHBondContact CB-OH 3.32Å; H21-Y355 AromaticContact ND1-CZ 3.88Å; H21-Y355 PolarHBondContact ND1-OH 3.32Å; H21-F359 AromaticContact CE1-CD1 3.46Å; H21-F359 VanDerWaalsContact CE1-CD1 3.46Å; H21-F359 WeakPolarHBondContact CE1-CD1 3.44Å; H21-F359 AromaticContact ND1-CD1 3.9Å; H21-F359 AromaticContact NE2-CD1 3.94Å
22I94.3Very high92.6Very high2 Ų246.4 Ų46.41%0.0123%0.227CC..Hα-helixtrans-59.8-44.1176.2-75.9163.6000110.7C18 R19 Q25 L26 Y355 F359 L399 C402 E403 L406C18-I22 WeakPolarHBondContact O-CB 3.45Å; C18-I22 WeakPolarHBondContact O-CD1 3.15Å; C18-I22 VanDerWaalsContact O-CG1 3.23Å; C18-I22 WeakPolarHBondContact O-CG1 3.46Å; C18-I22 PolarHBondContact O-N 2.87Å; R19-I22 PolarHBondContact O-N 2.83Å; I22-Q25 PolarHBondContact O-N 2.94Å; I22-L26 PolarHBondContact O-N 3.39Å; I22-Y355 HydrophobicContact CD1-CD2 4.39Å; I22-Y355 HydrophobicContact CD1-CE2 3.95Å; I22-Y355 HydrophobicContact CG1-CE2 3.97Å; I22-F359 HydrophobicContact CG1-CE1 4.45Å; I22-F359 HydrophobicContact CG1-CE2 4.35Å; I22-F359 HydrophobicContact CG1-CZ 3.72Å; I22-L399 HydrophobicContact CB-CD2 4.36Å; I22-L399 HydrophobicContact CG1-CD2 4.28Å; I22-L399 HydrophobicContact CG2-CB 4.08Å; I22-L399 HydrophobicContact CG2-CD2 3.86Å; I22-L399 VanDerWaalsContact CG2-O 3.23Å; I22-L399 WeakPolarHBondContact CG2-O 3.23Å; I22-C402 HydrophobicContact CD1-CB 4.03Å; I22-C402 HydrophobicContact CG2-CB 4.37Å; I22-E403 HydrophobicContact CG2-CB 4.18Å; I22-L406 HydrophobicContact CD1-CD1 3.67Å
23R94.5Very high93.3Very high87 Ų8743.8 Ų43.833%0.32821%0.213SC..Hα-helixtrans-60-49.4178179.5174176.5154.9-0.1111.6R19 E20 H21 Q25 L26 D27 E403R19-R23 VanDerWaalsContact O-CB 3.31Å; R19-R23 WeakPolarHBondContact O-CB 3.31Å; R19-R23 PolarHBondContact O-N 3.2Å; E20-R23 PolarHBondContact O-N 3.45Å; H21-R23 VanDerWaalsContact C-N 3.32Å; H21-R23 PolarHBondContact O-N 3.5Å; R23-Q25 VanDerWaalsContact C-N 3.28Å; R23-Q25 PolarHBondContact O-N 3.46Å; R23-L26 PolarHBondContact O-N 2.98Å; R23-D27 PolarHBondContact O-N 3.44Å; R23-D27 VanDerWaalsContact O-N 3.1Å; R23-E403 WeakPolarHBondContact CD-OE1 3.36Å; R23-E403 WeakPolarHBondContact CG-OE1 3.4Å; R23-E403 IonicContact NE-OE1 3.97Å
24A93.8Very high93.6Very high56 Ų5638.6 Ų38.646%0.46320%0.195SC..Hα-helixtrans-62.2-36.8177.100000112.4E20 H21 D27 A28E20-A24 WeakPolarHBondContact O-CB 3Å; E20-A24 PolarHBondContact O-N 3.2Å; H21-A24 PolarHBondContact O-N 2.91Å; A24-D27 PolarHBondContact O-N 3.48Å; A24-A28 PolarHBondContact O-N 3.3Å
25Q94.2Very high93.8Very high40 Ų4042.3 Ų42.319%0.18721%0.211CC..Hα-helixtrans-69.4-38.7177-71.4-75.9-18.800111.9H21 I22 R23 D27 A28 V29 F359 L399H21-Q25 PolarHBondContact NE2-NE2 2.62Å; H21-Q25 WeakPolarHBondContact O-CB 3.49Å; H21-Q25 WeakPolarHBondContact O-CG 3.37Å; H21-Q25 PolarHBondContact O-N 3.43Å; I22-Q25 PolarHBondContact O-N 2.94Å; R23-Q25 VanDerWaalsContact C-N 3.28Å; R23-Q25 PolarHBondContact O-N 3.46Å; Q25-D27 VanDerWaalsContact C-N 3.34Å; Q25-A28 PolarHBondContact O-N 3.34Å; Q25-V29 WeakPolarHBondContact O-CB 3.39Å; Q25-V29 VanDerWaalsContact O-CG2 3.24Å; Q25-V29 WeakPolarHBondContact O-CG2 3.33Å; Q25-V29 PolarHBondContact O-N 3.48Å; Q25-F359 HydrophobicContact CB-CE1 4.24Å; Q25-F359 HydrophobicContact CG-CD1 4.3Å; Q25-F359 HydrophobicContact CG-CE1 3.89Å; Q25-L399 HydrophobicContact CB-CD1 4.15Å; Q25-L399 HydrophobicContact CB-CD2 4.32Å
26L95.3Very high94Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-61.1-46.2174.5-179.253.8000110.7I22 R23 A28 V29 V30 L75 F82 P396 L399I22-L26 PolarHBondContact O-N 3.39Å; R23-L26 PolarHBondContact O-N 2.98Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 2.94Å; L26-V29 PolarHBondContact O-N 2.97Å; L26-V30 HydrophobicContact CD1-CG2 3.96Å; L26-V30 HydrophobicContact CG-CG2 4.38Å; L26-V30 WeakPolarHBondContact O-CB 3.43Å; L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 2.89Å; L26-L75 HydrophobicContact CD2-CD2 4.31Å; L26-F82 HydrophobicContact CD2-CE2 3.82Å; L26-F82 HydrophobicContact CD2-CZ 4.42Å; L26-F82 HydrophobicContact CG-CE2 3.84Å; L26-F82 HydrophobicContact CG-CZ 3.95Å; L26-P396 HydrophobicContact CD1-CB 3.93Å; L26-L399 HydrophobicContact CB-CB 3.94Å; L26-L399 HydrophobicContact CB-CD1 4.33Å; L26-L399 HydrophobicContact CD1-CB 4.11Å; L26-L399 HydrophobicContact CG-CB 4.42Å
27D94.3Very high94.2Very high56 Ų5644.1 Ų44.130%0.29922%0.217SC..Hα-helixtrans-59-46.5177.7-65.6-2.1000110.9R23 A24 Q25 V29 V30 E31 R81 F82R23-D27 PolarHBondContact O-N 3.44Å; R23-D27 VanDerWaalsContact O-N 3.1Å; A24-D27 PolarHBondContact O-N 3.48Å; Q25-D27 VanDerWaalsContact C-N 3.34Å; D27-V29 PolarHBondContact O-N 3.4Å; D27-V30 PolarHBondContact O-N 3.15Å; D27-E31 WeakPolarHBondContact O-CG 3.4Å; D27-E31 PolarHBondContact O-N 3.45Å; D27-R81 IonicContact OD1-CZ 3.77Å; D27-R81 IonicContact OD1-NE 3.98Å; D27-R81 PolarHBondContact OD1-NE 2.66Å; D27-R81 IonicContact OD1-NH2 2.83Å; D27-R81 PolarHBondContact OD1-NH2 2.78Å; D27-R81 IonicContact OD2-NE 3.27Å; D27-F82 WeakPolarHBondContact OD1-CZ 3.32Å
28A94.1Very high94.4Very high46 Ų4640.9 Ų40.938%0.3820%0.202SC..Hα-helixtrans-63.4-40.6178.200000113.3A24 Q25 L26 F32A24-A28 PolarHBondContact O-N 3.3Å; Q25-A28 PolarHBondContact O-N 3.34Å; L26-A28 VanDerWaalsContact C-N 3.34Å; L26-A28 PolarHBondContact O-N 2.94Å; A28-F32 PolarHBondContact O-N 3.42Å
29V94.8Very high94.5Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-66-46.2177169.80000110.1Q25 L26 D27 E31 F32 W33 E369 F392 V395 P396 L399Q25-V29 WeakPolarHBondContact O-CB 3.39Å; Q25-V29 VanDerWaalsContact O-CG2 3.24Å; Q25-V29 WeakPolarHBondContact O-CG2 3.33Å; Q25-V29 PolarHBondContact O-N 3.48Å; L26-V29 PolarHBondContact O-N 2.97Å; D27-V29 PolarHBondContact O-N 3.4Å; V29-E31 VanDerWaalsContact C-N 3.34Å; V29-E31 PolarHBondContact O-N 3.49Å; V29-F32 WeakPolarHBondContact O-CB 3.27Å; V29-F32 PolarHBondContact O-N 3.01Å; V29-W33 PolarHBondContact O-N 3.35Å; V29-W33 VanDerWaalsContact O-N 3.14Å; V29-E369 HydrophobicContact CG1-CG 4.22Å; V29-E369 HydrophobicContact CG2-CG 4.38Å; V29-F392 HydrophobicContact CG1-CD2 4.33Å; V29-F392 HydrophobicContact CG1-CE2 4.11Å; V29-V395 HydrophobicContact CG1-CG1 4.17Å; V29-V395 HydrophobicContact CG2-CG1 3.88Å; V29-P396 HydrophobicContact CG1-CB 4.29Å; V29-L399 HydrophobicContact CG2-CD1 4.19Å
30V94.9Very high94.4Very high0 Ų046.8 Ų46.80%024%0.239CC..Hα-helixtrans-58.3-47.5178.1172.90000110.9L26 D27 F32 W33 L34 L75 F82 I87 F392L26-V30 HydrophobicContact CD1-CG2 3.96Å; L26-V30 HydrophobicContact CG-CG2 4.38Å; L26-V30 WeakPolarHBondContact O-CB 3.43Å; L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 2.89Å; D27-V30 PolarHBondContact O-N 3.15Å; V30-F32 VanDerWaalsContact C-N 3.34Å; V30-F32 PolarHBondContact O-N 3.32Å; V30-W33 PolarHBondContact O-N 3.1Å; V30-L34 HydrophobicContact CG1-CD1 3.65Å; V30-L34 HydrophobicContact CG1-CG 4.22Å; V30-L34 WeakPolarHBondContact O-CB 3.03Å; V30-L34 VanDerWaalsContact O-CG 3.28Å; V30-L34 WeakPolarHBondContact O-CG 3.42Å; V30-L34 PolarHBondContact O-N 3.32Å; V30-L75 HydrophobicContact CG2-CD1 3.67Å; V30-F82 HydrophobicContact CB-CD1 4.45Å; V30-F82 HydrophobicContact CB-CE1 3.78Å; V30-F82 HydrophobicContact CB-CZ 4.19Å; V30-F82 HydrophobicContact CG1-CD1 3.89Å; V30-F82 HydrophobicContact CG1-CE1 3.69Å; V30-F82 HydrophobicContact CG2-CD1 4.36Å; V30-F82 HydrophobicContact CG2-CE1 3.73Å; V30-F82 HydrophobicContact CG2-CE2 4.32Å; V30-F82 HydrophobicContact CG2-CZ 3.7Å; V30-I87 HydrophobicContact CG1-CD1 4.38Å; V30-F392 HydrophobicContact CG2-CE2 4.13Å; V30-F392 HydrophobicContact CG2-CZ 3.9Å
31E94Very high94.3Very high90 Ų9047 Ų4742%0.42125%0.247SC..Hα-helixtrans-62-38.7178.2-71.3-58.112900112.8D27 V29 W33 K35 R84D27-E31 WeakPolarHBondContact O-CG 3.4Å; D27-E31 PolarHBondContact O-N 3.45Å; V29-E31 VanDerWaalsContact C-N 3.34Å; V29-E31 PolarHBondContact O-N 3.49Å; E31-W33 PolarHBondContact O-N 3.14Å; E31-K35 VanDerWaalsContact O-CB 3.27Å; E31-K35 WeakPolarHBondContact O-CB 3.5Å; E31-K35 PolarHBondContact O-N 3.16Å; E31-R84 IonicContact OE1-CZ 3.72Å; E31-R84 IonicContact OE1-NH1 2.7Å; E31-R84 PolarHBondContact OE1-NH1 2.91Å; E31-R84 IonicContact OE1-NH2 2.73Å; E31-R84 PolarHBondContact OE1-NH2 3.09Å; E31-R84 VanDerWaalsContact OE1-NH2 3.09Å
32F95.1Very high94.2Very high8 Ų847.7 Ų47.74%0.03525%0.25CS..Hα-helixtrans-58.1-50.5175178.9-87.6000111.4A28 V29 V30 K35 Y36 I49 S367 E369 K385A28-F32 PolarHBondContact O-N 3.42Å; V29-F32 WeakPolarHBondContact O-CB 3.27Å; V29-F32 PolarHBondContact O-N 3.01Å; V30-F32 VanDerWaalsContact C-N 3.34Å; V30-F32 PolarHBondContact O-N 3.32Å; F32-K35 PolarHBondContact O-N 3.3Å; F32-Y36 HydrophobicContact CD1-CD2 4.36Å; F32-Y36 AromaticContact CD2-CD2 3.61Å; F32-Y36 HydrophobicContact CD2-CD2 3.61Å; F32-Y36 AromaticContact CD2-CE2 3.67Å; F32-Y36 HydrophobicContact CD2-CE2 3.67Å; F32-Y36 HydrophobicContact CE1-CD2 4.35Å; F32-Y36 AromaticContact CE2-CD2 3.6Å; F32-Y36 HydrophobicContact CE2-CD2 3.6Å; F32-Y36 AromaticContact CE2-CE2 3.76Å; F32-Y36 HydrophobicContact CE2-CE2 3.76Å; F32-Y36 AromaticContact CG-CD2 4Å; F32-Y36 HydrophobicContact CG-CD2 4Å; F32-Y36 HydrophobicContact CG-CE2 4.41Å; F32-Y36 AromaticContact CZ-CD2 3.99Å; F32-Y36 HydrophobicContact CZ-CD2 3.99Å; F32-Y36 WeakPolarHBondContact O-CD2 3.4Å; F32-Y36 PolarHBondContact O-N 3.06Å; F32-Y36 VanDerWaalsContact O-N 3.09Å; F32-I49 HydrophobicContact CE1-CD1 4.38Å; F32-I49 HydrophobicContact CE1-CG2 4.05Å; F32-I49 HydrophobicContact CZ-CG2 3.68Å; F32-S367 WeakPolarHBondContact CD2-O 3.38Å; F32-S367 WeakPolarHBondContact CE2-O 3.45Å; F32-E369 HydrophobicContact CB-CB 4.46Å; F32-E369 HydrophobicContact CB-CG 4.48Å; F32-E369 HydrophobicContact CD1-CB 3.89Å; F32-E369 HydrophobicContact CD1-CG 3.72Å; F32-E369 HydrophobicContact CD2-CB 4.24Å; F32-E369 HydrophobicContact CE1-CB 4.17Å; F32-E369 HydrophobicContact CE1-CG 4.17Å; F32-E369 HydrophobicContact CE2-CB 4.49Å; F32-E369 HydrophobicContact CG-CB 3.93Å; F32-E369 HydrophobicContact CG-CG 4.13Å; F32-E369 HydrophobicContact CZ-CB 4.46Å; F32-K385 HydrophobicContact CE1-CB 3.94Å; F32-K385 HydrophobicContact CE2-CG 4.31Å; F32-K385 HydrophobicContact CZ-CB 3.65Å; F32-K385 HydrophobicContact CZ-CG 3.84Å
33W95.6Very high94.1Very high0 Ų048.3 Ų48.30%026%0.257CS..Hα-helixtrans-70.4-37.5-176.7-74.495.2000112.1V29 V30 E31 K35 S37 I49 E369 G391 F392V29-W33 PolarHBondContact O-N 3.35Å; V29-W33 VanDerWaalsContact O-N 3.14Å; V30-W33 PolarHBondContact O-N 3.1Å; E31-W33 PolarHBondContact O-N 3.14Å; W33-K35 VanDerWaalsContact C-N 3.29Å; W33-K35 PolarHBondContact O-N 3.13Å; W33-S37 VanDerWaalsContact O-CB 3.3Å; W33-S37 WeakPolarHBondContact O-CB 3.46Å; W33-S37 PolarHBondContact O-N 3.22Å; W33-S37 VanDerWaalsContact O-N 3.09Å; W33-S37 PolarHBondContact O-OG 3.41Å; W33-I49 HydrophobicContact CE3-CD1 4.17Å; W33-I49 HydrophobicContact CH2-CD1 4.4Å; W33-I49 HydrophobicContact CZ3-CD1 3.83Å; W33-E369 PolarHBondContact NE1-OE1 3.45Å; W33-G391 VanDerWaalsContact CH2-CA 3.5Å; W33-F392 HydrophobicContact CB-CB 4.32Å; W33-F392 HydrophobicContact CB-CD2 3.63Å; W33-F392 HydrophobicContact CB-CE2 4.09Å; W33-F392 HydrophobicContact CB-CG 4.03Å; W33-F392 AromaticContact CD1-CD2 3.17Å; W33-F392 AromaticContact CD1-CE2 3.87Å; W33-F392 HydrophobicContact CD2-CB 3.62Å; W33-F392 HydrophobicContact CD2-CD2 4.02Å; W33-F392 HydrophobicContact CD2-CG 4.2Å; W33-F392 HydrophobicContact CE3-CB 3.89Å; W33-F392 HydrophobicContact CG-CB 3.8Å; W33-F392 AromaticContact CG-CD2 3.3Å; W33-F392 HydrophobicContact CG-CD2 3.3Å; W33-F392 HydrophobicContact CG-CE2 4.11Å; W33-F392 AromaticContact CG-CG 3.82Å; W33-F392 HydrophobicContact CG-CG 3.82Å; W33-F392 AromaticContact NE1-CD2 3.75Å
34L94Very high94Very high19 Ų1944.3 Ų44.310%0.09924%0.242CC..Hα-helixtrans-63.1-36174.3-69.9173.5000112.7V30 H38 Y72 I87V30-L34 HydrophobicContact CG1-CD1 3.65Å; V30-L34 HydrophobicContact CG1-CG 4.22Å; V30-L34 WeakPolarHBondContact O-CB 3.03Å; V30-L34 VanDerWaalsContact O-CG 3.28Å; V30-L34 WeakPolarHBondContact O-CG 3.42Å; V30-L34 PolarHBondContact O-N 3.32Å; L34-H38 VanDerWaalsContact CD2-CE1 3.41Å; L34-H38 WeakPolarHBondContact CD2-CE1 3.28Å; L34-Y72 HydrophobicContact CD2-CE1 3.8Å; L34-Y72 HydrophobicContact CD2-CE2 4.2Å; L34-Y72 WeakPolarHBondContact CD2-OH 3.44Å; L34-Y72 HydrophobicContact CG-CE1 4.26Å; L34-I87 HydrophobicContact CD1-CD1 4.22Å; L34-I87 HydrophobicContact CD1-CG1 3.86Å; L34-I87 HydrophobicContact CD2-CG1 3.96Å
35K94.1Very high94.2Very high150 Ų15041.8 Ų41.865%0.65222%0.221SC*.Hα-helixtrans-75.2-42.5-179.1-174.4177.3176.8-165.60113.7E31 F32 W33E31-K35 VanDerWaalsContact O-CB 3.27Å; E31-K35 WeakPolarHBondContact O-CB 3.5Å; E31-K35 PolarHBondContact O-N 3.16Å; F32-K35 PolarHBondContact O-N 3.3Å; W33-K35 VanDerWaalsContact C-N 3.29Å; W33-K35 PolarHBondContact O-N 3.13Å
36Y94.8Very high94.3Very high67 Ų6740.6 Ų40.626%0.26322%0.215SC..Hα-helixtrans-108.5-21.1-165.5-62-64.1000115F32 G53F32-Y36 HydrophobicContact CD1-CD2 4.36Å; F32-Y36 AromaticContact CD2-CD2 3.61Å; F32-Y36 HydrophobicContact CD2-CD2 3.61Å; F32-Y36 AromaticContact CD2-CE2 3.67Å; F32-Y36 HydrophobicContact CD2-CE2 3.67Å; F32-Y36 HydrophobicContact CE1-CD2 4.35Å; F32-Y36 AromaticContact CE2-CD2 3.6Å; F32-Y36 HydrophobicContact CE2-CD2 3.6Å; F32-Y36 AromaticContact CE2-CE2 3.76Å; F32-Y36 HydrophobicContact CE2-CE2 3.76Å; F32-Y36 AromaticContact CG-CD2 4Å; F32-Y36 HydrophobicContact CG-CD2 4Å; F32-Y36 HydrophobicContact CG-CE2 4.41Å; F32-Y36 AromaticContact CZ-CD2 3.99Å; F32-Y36 HydrophobicContact CZ-CD2 3.99Å; F32-Y36 WeakPolarHBondContact O-CD2 3.4Å; F32-Y36 PolarHBondContact O-N 3.06Å; F32-Y36 VanDerWaalsContact O-N 3.09Å; Y36-G53 WeakPolarHBondContact CD1-O 3.46Å
37S95.3Very high94.2Very high0 Ų040.6 Ų40.60%022%0.215CC..SBendtrans-94-16-170.173.60000114.8W33 D39 F45 F46 Q68W33-S37 VanDerWaalsContact O-CB 3.3Å; W33-S37 WeakPolarHBondContact O-CB 3.46Å; W33-S37 PolarHBondContact O-N 3.22Å; W33-S37 VanDerWaalsContact O-N 3.09Å; W33-S37 PolarHBondContact O-OG 3.41Å; S37-D39 PolarHBondContact O-N 2.74Å; S37-F45 CarbonylContact O-C 3.58Å; S37-F45 WeakPolarHBondContact O-CA 3.22Å; S37-F46 VanDerWaalsContact CB-O 3.22Å; S37-F46 WeakPolarHBondContact CB-O 3.33Å; S37-F46 PolarHBondContact O-N 2.75Å; S37-Q68 PolarHBondContact OG-NE2 3.49Å
38H95.3Very high94.3Very high54 Ų5438 Ų3825%0.2520%0.201CC..BIsolated β-bridgetrans-77.6125.9-169-65.2-175.6000112.4L34 T40 F45 Y72 A90L34-H38 VanDerWaalsContact CD2-CE1 3.41Å; L34-H38 WeakPolarHBondContact CD2-CE1 3.28Å; H38-T40 PolarHBondContact O-N 2.95Å; H38-F45 AromaticContact CD2-CD1 3.73Å; H38-F45 AromaticContact CD2-CE1 3.92Å; H38-Y72 AromaticContact NE2-CE2 3.5Å; H38-Y72 WeakPolarHBondContact NE2-CE2 3.3Å; H38-Y72 AromaticContact NE2-CZ 3.59Å; H38-Y72 PolarHBondContact NE2-OH 3.27Å; H38-A90 WeakPolarHBondContact CE1-CB 3.49Å
39D94.9Very high94.3Very high7 Ų735.8 Ų35.84%0.03718%0.183CC..  trans-93.691.6169.1-172.5-0.4000110.2S37 V41 H42 G43 G44 F46 K60 R119S37-D39 PolarHBondContact O-N 2.74Å; D39-V41 PolarHBondContact O-N 3.4Å; D39-V41 PolarHBondContact OD1-N 3.31Å; D39-V41 VanDerWaalsContact OD1-N 3.1Å; D39-H42 PolarHBondContact OD1-N 2.8Å; D39-G43 VanDerWaalsContact O-CA 3.26Å; D39-G43 WeakPolarHBondContact O-CA 2.89Å; D39-G43 PolarHBondContact O-N 3.36Å; D39-G44 PolarHBondContact N-O 3.44Å; D39-G44 VanDerWaalsContact N-O 3.07Å; D39-F46 HydrophobicContact CB-CD2 4.22Å; D39-F46 HydrophobicContact CB-CE1 4.38Å; D39-F46 HydrophobicContact CB-CE2 3.57Å; D39-F46 HydrophobicContact CB-CZ 3.67Å; D39-F46 VanDerWaalsContact CG-CZ 3.47Å; D39-K60 IonicContact OD2-NZ 2.91Å; D39-K60 PolarHBondContact OD2-NZ 3.06Å; D39-R119 IonicContact OD1-CZ 3.11Å; D39-R119 IonicContact OD1-NE 3.39Å; D39-R119 PolarHBondContact OD1-NE 3.44Å; D39-R119 IonicContact OD1-NH2 3.44Å; D39-R119 PolarHBondContact OD1-NH2 2.91Å; D39-R119 VanDerWaalsContact OD1-NH2 3.12Å; D39-R119 WeakPolarHBondContact OD2-CG 3.47Å; D39-R119 IonicContact OD2-NE 2.69Å; D39-R119 PolarHBondContact OD2-NE 3.28Å; D39-R119 VanDerWaalsContact OD2-NE 3.07Å
40T90.8Very high94.3Very high135 Ų13536.5 Ų36.583%0.82819%0.191SC*.THydrogen-bonded Turntrans-68.1-10.1178.956.10000113.9H38H38-T40 PolarHBondContact O-N 2.95Å
41V91.8Very high94Very high100 Ų10040.9 Ų40.961%0.60621%0.207SC*.THydrogen-bonded Turntrans-93.3-50.7-176.8-177.30000111.4D39D39-V41 PolarHBondContact O-N 3.4Å; D39-V41 PolarHBondContact OD1-N 3.31Å; D39-V41 VanDerWaalsContact OD1-N 3.1Å
42H91.9Very high93.7Very high85 Ų8541.5 Ų41.539%0.39421%0.214SC..THydrogen-bonded Turntrans-107.7-8.1-176.5-67.6-77.6000114.3D39 F97 R119D39-H42 PolarHBondContact OD1-N 2.8Å; H42-F97 WeakPolarHBondContact O-CD2 3.27Å; H42-R119 WeakPolarHBondContact CB-O 3.37Å
43G91.9Very high93.3Very high14 Ų1441.3 Ų41.314%0.14421%0.214CC..SBendtrans80.8170.3-170.500000112.7D39 K60D39-G43 VanDerWaalsContact O-CA 3.26Å; D39-G43 WeakPolarHBondContact O-CA 2.89Å; D39-G43 PolarHBondContact O-N 3.36Å; G43-K60 PolarHBondContact O-NZ 2.85Å
44G93.6Very high93.2Very high3 Ų346.9 Ų46.93%0.03124%0.243CC..SBendtrans69.9-162.8-170.700000113.2D39 Q65D39-G44 PolarHBondContact N-O 3.44Å; D39-G44 VanDerWaalsContact N-O 3.07Å; G44-Q65 VanDerWaalsContact CA-OE1 3.29Å
45F96.8Very high93.2Very high3 Ų348.6 Ų48.61%0.01325%0.254CS..BIsolated β-bridgetrans-134.7140.8-165.7-44.8-73.5000113S37 H38 K60 Q65 Q68 V69 Y72 A90S37-F45 CarbonylContact O-C 3.58Å; S37-F45 WeakPolarHBondContact O-CA 3.22Å; H38-F45 AromaticContact CD2-CD1 3.73Å; H38-F45 AromaticContact CD2-CE1 3.92Å; F45-K60 WeakPolarHBondContact O-CD 3.37Å; F45-Q65 PolarHBondContact O-NE2 3.08Å; F45-Q68 HydrophobicContact CD1-CG 4.23Å; F45-Q68 VanDerWaalsContact CD1-NE2 3.34Å; F45-Q68 HydrophobicContact CD2-CB 3.82Å; F45-Q68 HydrophobicContact CD2-CG 3.64Å; F45-Q68 HydrophobicContact CE1-CG 4.28Å; F45-Q68 HydrophobicContact CE2-CB 3.94Å; F45-Q68 HydrophobicContact CE2-CG 3.68Å; F45-Q68 HydrophobicContact CG-CB 4.48Å; F45-Q68 HydrophobicContact CG-CG 3.92Å; F45-Q68 VanDerWaalsContact CG-OE1 3.28Å; F45-Q68 HydrophobicContact CZ-CG 4.01Å; F45-V69 HydrophobicContact CE2-CG2 3.8Å; F45-V69 HydrophobicContact CZ-CG2 4.35Å; F45-Y72 HydrophobicContact CE1-CD2 4.32Å; F45-Y72 AromaticContact CE1-CE2 3.77Å; F45-Y72 HydrophobicContact CE1-CE2 3.77Å; F45-Y72 HydrophobicContact CZ-CD2 4.16Å; F45-Y72 HydrophobicContact CZ-CE2 4.05Å; F45-A90 HydrophobicContact CE1-CB 4.33Å; F45-A90 VanDerWaalsContact CZ-O 3.32Å; F45-A90 WeakPolarHBondContact CZ-O 3.5Å
46F96.9Very high93.3Very high15 Ų1546.9 Ų46.97%0.06625%0.245CC..  trans-78.4127.6164.2-58.3-61.8000110.1S37 D39 I49 V55 E58 R119S37-F46 VanDerWaalsContact CB-O 3.22Å; S37-F46 WeakPolarHBondContact CB-O 3.33Å; S37-F46 PolarHBondContact O-N 2.75Å; D39-F46 HydrophobicContact CB-CD2 4.22Å; D39-F46 HydrophobicContact CB-CE1 4.38Å; D39-F46 HydrophobicContact CB-CE2 3.57Å; D39-F46 HydrophobicContact CB-CZ 3.67Å; D39-F46 VanDerWaalsContact CG-CZ 3.47Å; F46-I49 WeakPolarHBondContact O-CD1 3.5Å; F46-V55 HydrophobicContact CB-CG1 3.91Å; F46-V55 HydrophobicContact CB-CG2 3.76Å; F46-V55 HydrophobicContact CD1-CG1 3.89Å; F46-V55 HydrophobicContact CD2-CG1 4.46Å; F46-V55 HydrophobicContact CD2-CG2 3.92Å; F46-V55 HydrophobicContact CG-CG1 3.83Å; F46-V55 HydrophobicContact CG-CG2 3.9Å; F46-E58 HydrophobicContact CD1-CB 4.38Å; F46-E58 HydrophobicContact CE1-CB 3.88Å; F46-E58 HydrophobicContact CE1-CG 4.05Å; F46-R119 HydrophobicContact CE1-CG 4.09Å; F46-R119 HydrophobicContact CZ-CG 4.37Å
47T94.5Very high93.3Very high0 Ų046.5 Ų46.50%025%0.247CC..  trans-108.8-26.8176.260.40000111.8I49 L64 G386 G387T47-I49 PolarHBondContact O-N 2.74Å; T47-L64 HydrophobicContact CG2-CB 3.58Å; T47-L64 HydrophobicContact CG2-CD1 3.7Å; T47-L64 HydrophobicContact CG2-CG 4.3Å; T47-L64 WeakPolarHBondContact OG1-CD1 3.45Å; T47-G386 CarbonylContact O-C 3.53Å; T47-G386 WeakPolarHBondContact O-CA 3.36Å; T47-G387 PolarHBondContact O-N 2.7Å; T47-G387 PolarHBondContact OG1-O 2.83Å; T47-G387 VanDerWaalsContact OG1-O 3.1Å
48C94.5Very high93.3Very high1 Ų151 Ų511%0.00727%0.269CS..  trans-73.776.5175-70.40000111.3V55 Y56 D57C48-V55 WeakPolarHBondContact O-CA 3.34Å; C48-Y56 VanDerWaalsContact C-CD1 3.44Å; C48-Y56 HydrophobicContact CB-CD1 4.2Å; C48-Y56 HydrophobicContact CB-CD2 4Å; C48-Y56 HydrophobicContact CB-CE1 3.78Å; C48-Y56 HydrophobicContact CB-CE2 3.54Å; C48-Y56 HydrophobicContact CB-CG 4.3Å; C48-Y56 VanDerWaalsContact CB-CZ 3.42Å; C48-Y56 VanDerWaalsContact O-CD1 3.23Å; C48-Y56 WeakPolarHBondContact O-CD1 3.28Å; C48-Y56 WeakPolarHBondContact O-CE1 3.46Å; C48-Y56 PolarHBondContact O-N 3.37Å; C48-D57 HydrophobicContact CB-CB 3.63Å; C48-D57 WeakPolarHBondContact CB-O 3.47Å
49I95.3Very high93.3Very high0 Ų050.5 Ų50.50%027%0.267CS..BIsolated β-bridgetrans-112.4122.1-175.8-59174.5000109.2F32 W33 F46 T47 G53 K385 G386F32-I49 HydrophobicContact CE1-CD1 4.38Å; F32-I49 HydrophobicContact CE1-CG2 4.05Å; F32-I49 HydrophobicContact CZ-CG2 3.68Å; W33-I49 HydrophobicContact CE3-CD1 4.17Å; W33-I49 HydrophobicContact CH2-CD1 4.4Å; W33-I49 HydrophobicContact CZ3-CD1 3.83Å; F46-I49 WeakPolarHBondContact O-CD1 3.5Å; T47-I49 PolarHBondContact O-N 2.74Å; I49-G53 VanDerWaalsContact CG2-CA 3.47Å; I49-K385 PolarHBondContact O-N 3.42Å; I49-G386 PolarHBondContact N-O 2.75Å; I49-G386 PolarHBondContact O-N 3.02Å
50G93.4Very high93.3Very high15 Ų1550.2 Ų50.216%0.15527%0.266CS..  trans-71.5178.8176.500000112.7D52 G53 N54G50-D52 PolarHBondContact O-N 2.91Å; G50-D52 VanDerWaalsContact O-N 3.16Å; G50-G53 PolarHBondContact O-N 3.47Å; G50-G53 VanDerWaalsContact O-N 3.13Å; G50-N54 PolarHBondContact N-O 3.29Å
51R90.6Very high93.6Very high92 Ų9245 Ų4535%0.34723%0.231SC..THydrogen-bonded Turntrans-51.8-41.4-178.4-172.7-179.9-179.6172.33.2113.5G53 D364 S367 F371 D383 K385R51-G53 VanDerWaalsContact C-N 3.34Å; R51-D364 IonicContact NE-OD2 2.97Å; R51-D364 PolarHBondContact NE-OD2 3.32Å; R51-D364 IonicContact NH2-OD1 3.09Å; R51-D364 IonicContact NH2-OD2 3.38Å; R51-S367 WeakPolarHBondContact O-CB 3.37Å; R51-F371 HydrophobicContact CG-CE1 4.34Å; R51-D383 WeakPolarHBondContact CA-O 3.19Å; R51-D383 WeakPolarHBondContact CB-O 3.49Å; R51-K385 PolarHBondContact O-NZ 3.38Å
52D86.7Confident93.7Very high104 Ų10440.2 Ų40.256%0.55620%0.202SC*.THydrogen-bonded Turntrans-90.26.6-172.8-57.3-34.3000113.8G50 N54G50-D52 PolarHBondContact O-N 2.91Å; G50-D52 VanDerWaalsContact O-N 3.16Å; D52-N54 VanDerWaalsContact C-N 3.34Å
53G87.1Confident93.8Very high4 Ų438 Ų384%0.04119%0.19CC..SBendtrans87.4-1.7-176.100000114.5Y36 I49 G50 R51Y36-G53 WeakPolarHBondContact CD1-O 3.46Å; I49-G53 VanDerWaalsContact CG2-CA 3.47Å; G50-G53 PolarHBondContact O-N 3.47Å; G50-G53 VanDerWaalsContact O-N 3.13Å; R51-G53 VanDerWaalsContact C-N 3.34Å
54N92.8Very high94Very high116 Ų11637.3 Ų37.362%0.6218%0.183SC*.  trans-70.4131.2176.4-69.5-32000111.2G50 D52 Y56G50-N54 PolarHBondContact N-O 3.29Å; D52-N54 VanDerWaalsContact C-N 3.34Å; N54-Y56 PolarHBondContact O-N 2.93Å
55V94.9Very high94.2Very high55 Ų5537.2 Ų37.233%0.33318%0.182SC..BIsolated β-bridgetrans-75.3116.8173.5-179.80000108.7F46 C48 D57 E58F46-V55 HydrophobicContact CB-CG1 3.91Å; F46-V55 HydrophobicContact CB-CG2 3.76Å; F46-V55 HydrophobicContact CD1-CG1 3.89Å; F46-V55 HydrophobicContact CD2-CG1 4.46Å; F46-V55 HydrophobicContact CD2-CG2 3.92Å; F46-V55 HydrophobicContact CG-CG1 3.83Å; F46-V55 HydrophobicContact CG-CG2 3.9Å; C48-V55 WeakPolarHBondContact O-CA 3.34Å; V55-D57 WeakPolarHBondContact CG1-O 3.16Å; V55-E58 HydrophobicContact CG1-CG 4.41Å
56Y94.6Very high94.2Very high115 Ų11537 Ų3745%0.45118%0.181SC..SBendtrans-98.2-15.1-179.567.4-100.7000113.2C48 N54 F384 G386 G387C48-Y56 VanDerWaalsContact C-CD1 3.44Å; C48-Y56 HydrophobicContact CB-CD1 4.2Å; C48-Y56 HydrophobicContact CB-CD2 4Å; C48-Y56 HydrophobicContact CB-CE1 3.78Å; C48-Y56 HydrophobicContact CB-CE2 3.54Å; C48-Y56 HydrophobicContact CB-CG 4.3Å; C48-Y56 VanDerWaalsContact CB-CZ 3.42Å; C48-Y56 VanDerWaalsContact O-CD1 3.23Å; C48-Y56 WeakPolarHBondContact O-CD1 3.28Å; C48-Y56 WeakPolarHBondContact O-CE1 3.46Å; C48-Y56 PolarHBondContact O-N 3.37Å; N54-Y56 PolarHBondContact O-N 2.93Å; Y56-F384 HydrophobicContact CE1-CB 3.98Å; Y56-F384 HydrophobicContact CE1-CG 4.5Å; Y56-G386 PolarHBondContact OH-O 3.09Å; Y56-G387 VanDerWaalsContact OH-CA 3.32Å; Y56-G387 WeakPolarHBondContact OH-CA 3.24Å
57D94.8Very high94.2Very high59 Ų5937.7 Ų37.732%0.31618%0.183SC..  trans-148.4138.3173.8-168.2-22.5000109.1C48 V55 L59C48-D57 HydrophobicContact CB-CB 3.63Å; C48-D57 WeakPolarHBondContact CB-O 3.47Å; V55-D57 WeakPolarHBondContact CG1-O 3.16Å; D57-L59 VanDerWaalsContact OD1-CG 3.28Å; D57-L59 WeakPolarHBondContact OD1-CG 3.4Å; D57-L59 PolarHBondContact OD1-N 2.95Å
58E95.3Very high94.3Very high95 Ų9537.7 Ų37.744%0.44418%0.183SC..  trans-96.72-175.4-60.7-167.9160.500113.4F46 V55 R119F46-E58 HydrophobicContact CD1-CB 4.38Å; F46-E58 HydrophobicContact CE1-CB 3.88Å; F46-E58 HydrophobicContact CE1-CG 4.05Å; V55-E58 HydrophobicContact CG1-CG 4.41Å; E58-R119 HydrophobicContact CB-CB 4.09Å; E58-R119 HydrophobicContact CB-CG 4.46Å; E58-R119 VanDerWaalsContact CD-NH1 3.34Å; E58-R119 IonicContact OE1-CZ 2.92Å; E58-R119 IonicContact OE1-NH1 3.44Å; E58-R119 PolarHBondContact OE1-NH1 2.98Å; E58-R119 WeakPolarHBondContact OE2-CD 3.23Å; E58-R119 IonicContact OE2-CZ 3.26Å; E58-R119 IonicContact OE2-NE 3.4Å; E58-R119 IonicContact OE2-NH1 2.7Å; E58-R119 PolarHBondContact OE2-NH1 3.27Å; E58-R119 VanDerWaalsContact OE2-NH1 3.12Å
59L95.7Very high94.5Very high43 Ų4337.6 Ų37.623%0.22518%0.183CC..  trans-59.3142.9174.3-70.9177.8000112.2D57 Y61 V124D57-L59 VanDerWaalsContact OD1-CG 3.28Å; D57-L59 WeakPolarHBondContact OD1-CG 3.4Å; D57-L59 PolarHBondContact OD1-N 2.95Å; L59-Y61 HydrophobicContact CB-CE2 4.23Å; L59-V124 HydrophobicContact CD2-CG2 4.13Å
60K95.9Very high94.6Very high0 Ų038.3 Ų38.30%019%0.185CC..EExtended strand (participates in β ladder)trans-109.1106.4-178.3-57.2-71.4179.567.70109.4D39 G43 F45 F97 L117 R119D39-K60 IonicContact OD2-NZ 2.91Å; D39-K60 PolarHBondContact OD2-NZ 3.06Å; G43-K60 PolarHBondContact O-NZ 2.85Å; F45-K60 WeakPolarHBondContact O-CD 3.37Å; K60-F97 HydrophobicContact CB-CE1 3.99Å; K60-F97 HydrophobicContact CB-CZ 4.06Å; K60-F97 HydrophobicContact CG-CE1 4.15Å; K60-F97 HydrophobicContact CG-CZ 3.82Å; K60-L117 HydrophobicContact CB-CB 4.23Å; K60-L117 PolarHBondContact N-O 2.92Å; K60-L117 PolarHBondContact O-N 3.28Å; K60-R119 PolarHBondContact NZ-O 3.39Å
61Y96.3Very high94.8Very high25 Ų2537.6 Ų37.610%0.09818%0.178CC..EExtended strand (participates in β ladder)trans-85.4116.1177.7-64.6-83.3000111L59 W63 L64 Q65 F115 C116 P388L59-Y61 HydrophobicContact CB-CE2 4.23Å; Y61-W63 VanDerWaalsContact C-N 3.27Å; Y61-W63 PolarHBondContact O-N 3.39Å; Y61-L64 PolarHBondContact O-N 2.82Å; Y61-Q65 WeakPolarHBondContact O-CG 3.45Å; Y61-Q65 PolarHBondContact O-N 3.39Å; Y61-F115 HydrophobicContact CD1-CD1 4.42Å; Y61-F115 AromaticContact CD1-CE1 3.76Å; Y61-F115 HydrophobicContact CD1-CE1 3.76Å; Y61-F115 AromaticContact CD1-CZ 3.93Å; Y61-F115 HydrophobicContact CD1-CZ 3.93Å; Y61-F115 AromaticContact CE1-CE1 3.91Å; Y61-F115 HydrophobicContact CE1-CE1 3.91Å; Y61-F115 HydrophobicContact CE1-CZ 4.36Å; Y61-C116 HydrophobicContact CD1-CB 4.18Å; Y61-C116 HydrophobicContact CE1-CB 4.23Å; Y61-P388 HydrophobicContact CD1-CB 4.39Å; Y61-P388 HydrophobicContact CE1-CB 3.82Å; Y61-P388 HydrophobicContact CE2-CB 4.03Å; Y61-P388 HydrophobicContact CE2-CG 4.26Å
62V94.9Very high95.1Very high0 Ų033.2 Ų33.20%016%0.162CC..Hα-helixtrans-60.5-35.5-170.8175.30000112.4L64 Q65 G66 L98 A102 C113 A114 F115 L117V62-L64 VanDerWaalsContact C-N 3.3Å; V62-L64 PolarHBondContact O-N 2.85Å; V62-Q65 PolarHBondContact O-N 3.34Å; V62-G66 PolarHBondContact O-N 3.21Å; V62-L98 HydrophobicContact CG1-CD2 3.99Å; V62-A102 HydrophobicContact CG1-CB 4.16Å; V62-A102 HydrophobicContact CG2-CB 4.44Å; V62-C113 HydrophobicContact CG1-CB 4.33Å; V62-A114 WeakPolarHBondContact CB-O 3.28Å; V62-A114 HydrophobicContact CG2-CB 4.34Å; V62-A114 WeakPolarHBondContact CG2-O 3.26Å; V62-F115 PolarHBondContact N-O 2.83Å; V62-L117 HydrophobicContact CG2-CD1 3.87Å; V62-L117 HydrophobicContact CG2-CG 3.91Å
63W94.3Very high95.6Very high38 Ų3828.3 Ų28.314%0.14414%0.135CC..Hα-helixtrans-55.3-49.3173.9-69.615.2000111.1Y61 G66 R67 F115 F131 S132 F135Y61-W63 VanDerWaalsContact C-N 3.27Å; Y61-W63 PolarHBondContact O-N 3.39Å; W63-G66 PolarHBondContact O-N 3.4Å; W63-R67 VanDerWaalsContact O-CB 3.28Å; W63-R67 WeakPolarHBondContact O-CB 3.33Å; W63-R67 WeakPolarHBondContact O-CD 3.29Å; W63-R67 WeakPolarHBondContact O-CG 3.48Å; W63-R67 PolarHBondContact O-N 3.36Å; W63-F115 AromaticContact CD1-CD2 4Å; W63-F115 HydrophobicContact CD2-CD2 4.34Å; W63-F115 AromaticContact CD2-CE2 3.95Å; W63-F115 HydrophobicContact CD2-CE2 3.95Å; W63-F115 AromaticContact CE2-CD2 3.88Å; W63-F115 AromaticContact CE2-CE2 3.82Å; W63-F115 HydrophobicContact CE3-CE2 4.41Å; W63-F115 HydrophobicContact CG-CD2 4.41Å; W63-F115 HydrophobicContact CG-CE2 4.26Å; W63-F115 HydrophobicContact CZ2-CD2 4.34Å; W63-F115 HydrophobicContact CZ2-CE2 4.17Å; W63-F115 AromaticContact NE1-CD2 3.66Å; W63-F131 HydrophobicContact CD2-CB 4.32Å; W63-F131 VanDerWaalsContact CE2-CB 3.45Å; W63-F131 HydrophobicContact CH2-CB 4.06Å; W63-F131 AromaticContact CH2-CD2 3.85Å; W63-F131 HydrophobicContact CH2-CD2 3.85Å; W63-F131 HydrophobicContact CH2-CG 4.17Å; W63-F131 HydrophobicContact CZ2-CB 3.32Å; W63-F131 AromaticContact CZ2-CD2 3.61Å; W63-F131 HydrophobicContact CZ2-CD2 3.61Å; W63-F131 AromaticContact CZ2-CG 3.82Å; W63-F131 HydrophobicContact CZ2-CG 3.82Å; W63-S132 VanDerWaalsContact CD1-CA 3.47Å; W63-S132 PolarHBondContact NE1-OG 3.12Å; W63-S132 VanDerWaalsContact NE1-OG 3.07Å; W63-F135 HydrophobicContact CB-CD2 3.86Å; W63-F135 HydrophobicContact CB-CE2 4.37Å; W63-F135 HydrophobicContact CD2-CD2 4.34Å; W63-F135 HydrophobicContact CD2-CE2 4.22Å; W63-F135 HydrophobicContact CE3-CE2 4.42Å; W63-F135 AromaticContact CG-CD2 3.86Å; W63-F135 HydrophobicContact CG-CD2 3.86Å; W63-F135 HydrophobicContact CG-CE2 4.2Å
64L95.9Very high95.9Very high1 Ų128.7 Ų28.71%0.00514%0.136CC..Hα-helixtrans-76.5-32.4-175-57.1-176.8000111.7T47 Y61 V62 Q68 G387T47-L64 HydrophobicContact CG2-CB 3.58Å; T47-L64 HydrophobicContact CG2-CD1 3.7Å; T47-L64 HydrophobicContact CG2-CG 4.3Å; T47-L64 WeakPolarHBondContact OG1-CD1 3.45Å; Y61-L64 PolarHBondContact O-N 2.82Å; V62-L64 VanDerWaalsContact C-N 3.3Å; V62-L64 PolarHBondContact O-N 2.85Å; L64-Q68 VanDerWaalsContact O-CB 3.23Å; L64-Q68 WeakPolarHBondContact O-CB 3.38Å; L64-Q68 PolarHBondContact O-N 2.69Å; L64-G387 WeakPolarHBondContact CD1-O 3.48Å
65Q97.2Very high96.1Very high0 Ų023.1 Ų23.10%011%0.106CC..Hα-helixtrans-58.3-54169.9-61.6-49-65.300110.7G44 F45 Y61 V62 R67 Q68 V69 L98G44-Q65 VanDerWaalsContact CA-OE1 3.29Å; F45-Q65 PolarHBondContact O-NE2 3.08Å; Y61-Q65 WeakPolarHBondContact O-CG 3.45Å; Y61-Q65 PolarHBondContact O-N 3.39Å; V62-Q65 PolarHBondContact O-N 3.34Å; Q65-R67 VanDerWaalsContact C-N 3.35Å; Q65-R67 PolarHBondContact O-N 2.66Å; Q65-Q68 PolarHBondContact O-N 3.12Å; Q65-V69 WeakPolarHBondContact O-CG2 3.33Å; Q65-V69 PolarHBondContact O-N 2.86Å; Q65-L98 HydrophobicContact CB-CD1 4.25Å; Q65-L98 HydrophobicContact CB-CD2 3.69Å; Q65-L98 HydrophobicContact CB-CG 4.09Å; Q65-L98 HydrophobicContact CG-CD2 4.44Å
66G96.5Very high96.1Very high0 Ų023 Ų230%010%0.1CC..Hα-helixtrans-61.3-44.6-178.900000112.1V62 W63 Q68 V69 W70 F135 A139V62-G66 PolarHBondContact O-N 3.21Å; W63-G66 PolarHBondContact O-N 3.4Å; G66-Q68 PolarHBondContact O-N 2.97Å; G66-V69 PolarHBondContact O-N 3.48Å; G66-W70 WeakPolarHBondContact O-CB 3.25Å; G66-W70 PolarHBondContact O-N 3.23Å; G66-F135 WeakPolarHBondContact CA-O 3.18Å; G66-A139 WeakPolarHBondContact O-CB 3.26Å
67R97.1Very high96.1Very high28 Ų2821 Ų2111%0.1069%0.092CC..Hα-helixtrans-59.7-42175.4-76.4171.7175-158.9-8.9113.3W63 Q65 W70 M71 F135 F393 H394W63-R67 VanDerWaalsContact O-CB 3.28Å; W63-R67 WeakPolarHBondContact O-CB 3.33Å; W63-R67 WeakPolarHBondContact O-CD 3.29Å; W63-R67 WeakPolarHBondContact O-CG 3.48Å; W63-R67 PolarHBondContact O-N 3.36Å; Q65-R67 VanDerWaalsContact C-N 3.35Å; Q65-R67 PolarHBondContact O-N 2.66Å; R67-W70 PolarHBondContact O-N 2.88Å; R67-M71 WeakPolarHBondContact O-CB 3.24Å; R67-M71 PolarHBondContact O-N 2.9Å; R67-F135 HydrophobicContact CG-CB 4.38Å; R67-F135 HydrophobicContact CG-CD1 3.43Å; R67-F135 VanDerWaalsContact CG-CD1 3.43Å; R67-F135 HydrophobicContact CG-CD2 4.47Å; R67-F135 HydrophobicContact CG-CE1 3.86Å; R67-F135 HydrophobicContact CG-CG 3.83Å; R67-F393 HydrophobicContact CB-CB 3.77Å; R67-F393 HydrophobicContact CB-CD1 4.49Å; R67-F393 HydrophobicContact CB-CD2 3.41Å; R67-F393 VanDerWaalsContact CB-CD2 3.41Å; R67-F393 HydrophobicContact CB-CE2 4.08Å; R67-F393 HydrophobicContact CB-CG 3.63Å; R67-F393 HydrophobicContact CG-CB 4.11Å; R67-F393 HydrophobicContact CG-CD1 3.94Å; R67-F393 HydrophobicContact CG-CD2 3.5Å; R67-F393 VanDerWaalsContact CG-CD2 3.5Å; R67-F393 HydrophobicContact CG-CE1 4.21Å; R67-F393 HydrophobicContact CG-CE2 3.78Å; R67-F393 HydrophobicContact CG-CG 3.56Å; R67-F393 HydrophobicContact CG-CZ 4.13Å; R67-H394 PolarHBondContact NH1-NE2 3.49Å
68Q97.6Very high95.9Very high0 Ų020.5 Ų20.50%09%0.093CC..Hα-helixtrans-71-40.8-179.7-179.3160.80.500112.1S37 F45 L64 Q65 G66 M71 Y72 F392S37-Q68 PolarHBondContact OG-NE2 3.49Å; F45-Q68 HydrophobicContact CD1-CG 4.23Å; F45-Q68 VanDerWaalsContact CD1-NE2 3.34Å; F45-Q68 HydrophobicContact CD2-CB 3.82Å; F45-Q68 HydrophobicContact CD2-CG 3.64Å; F45-Q68 HydrophobicContact CE1-CG 4.28Å; F45-Q68 HydrophobicContact CE2-CB 3.94Å; F45-Q68 HydrophobicContact CE2-CG 3.68Å; F45-Q68 HydrophobicContact CG-CB 4.48Å; F45-Q68 HydrophobicContact CG-CG 3.92Å; F45-Q68 VanDerWaalsContact CG-OE1 3.28Å; F45-Q68 HydrophobicContact CZ-CG 4.01Å; L64-Q68 VanDerWaalsContact O-CB 3.23Å; L64-Q68 WeakPolarHBondContact O-CB 3.38Å; L64-Q68 PolarHBondContact O-N 2.69Å; Q65-Q68 PolarHBondContact O-N 3.12Å; G66-Q68 PolarHBondContact O-N 2.97Å; Q68-M71 PolarHBondContact O-N 2.62Å; Q68-Y72 HydrophobicContact CG-CD2 4.28Å; Q68-Y72 HydrophobicContact CG-CE2 3.94Å; Q68-Y72 PolarHBondContact NE2-OH 2.87Å; Q68-Y72 VanDerWaalsContact NE2-OH 3.13Å; Q68-Y72 PolarHBondContact O-N 3.34Å; Q68-F392 HydrophobicContact CB-CB 4.18Å; Q68-F392 HydrophobicContact CG-CB 3.9Å; Q68-F392 HydrophobicContact CG-CD1 3.93Å; Q68-F392 HydrophobicContact CG-CG 4.34Å
69V97.4Very high95.8Very high0 Ų016.8 Ų16.80%08%0.076CC..Hα-helixtrans-58.6-50.2171.3174.90000110.3F45 Q65 G66 M71 Y72 C73 L98 A139 L143F45-V69 HydrophobicContact CE2-CG2 3.8Å; F45-V69 HydrophobicContact CZ-CG2 4.35Å; Q65-V69 WeakPolarHBondContact O-CG2 3.33Å; Q65-V69 PolarHBondContact O-N 2.86Å; G66-V69 PolarHBondContact O-N 3.48Å; V69-M71 VanDerWaalsContact C-N 3.31Å; V69-M71 PolarHBondContact O-N 3.33Å; V69-Y72 PolarHBondContact O-N 2.98Å; V69-C73 PolarHBondContact O-N 3.33Å; V69-C73 PolarHBondContact O-SG 3.43Å; V69-C73 VanDerWaalsContact O-SG 3.38Å; V69-L98 HydrophobicContact CG2-CD1 4.11Å; V69-A139 HydrophobicContact CB-CB 3.87Å; V69-A139 HydrophobicContact CG1-CB 3.89Å; V69-L143 HydrophobicContact CG1-CB 4.48Å; V69-L143 HydrophobicContact CG1-CD1 4.49Å
70W97.4Very high95.5Very high14 Ų1419.8 Ų19.85%0.0539%0.093CC..Hα-helixtrans-55.2-47.5177.5175.190000111.5G66 R67 C73 R74 M138 E142 F393 R397G66-W70 WeakPolarHBondContact O-CB 3.25Å; G66-W70 PolarHBondContact O-N 3.23Å; R67-W70 PolarHBondContact O-N 2.88Å; W70-C73 PolarHBondContact O-N 3.24Å; W70-R74 HydrophobicContact CH2-CG 4.18Å; W70-R74 HydrophobicContact CZ2-CG 4.17Å; W70-R74 WeakPolarHBondContact O-CB 3.41Å; W70-R74 PolarHBondContact O-N 3.22Å; W70-M138 HydrophobicContact CB-CB 4.43Å; W70-M138 HydrophobicContact CD2-CE 4Å; W70-M138 HydrophobicContact CG-CB 4.24Å; W70-M138 HydrophobicContact CG-CE 4.07Å; W70-M138 HydrophobicContact CZ2-CE 4.28Å; W70-E142 HydrophobicContact CG-CG 4.06Å; W70-F393 HydrophobicContact CD2-CE2 4.15Å; W70-F393 AromaticContact CE3-CD2 3.88Å; W70-F393 HydrophobicContact CE3-CD2 3.88Å; W70-F393 AromaticContact CE3-CE2 3.48Å; W70-F393 HydrophobicContact CE3-CE2 3.48Å; W70-F393 VanDerWaalsContact CE3-CE2 3.48Å; W70-F393 HydrophobicContact CZ3-CD2 4.14Å; W70-F393 AromaticContact CZ3-CE2 3.71Å; W70-F393 HydrophobicContact CZ3-CE2 3.71Å; W70-R397 HydrophobicContact CH2-CG 4.02Å; W70-R397 HydrophobicContact CZ3-CB 4.28Å; W70-R397 HydrophobicContact CZ3-CG 4.16Å
71M97.4Very high95.4Very high0 Ų022.7 Ų22.70%010%0.104CC..Hα-helixtrans-66-42.4-176.8-168.873.2-125.300112R67 Q68 V69 R74 L75 F392 P396 R397 Y400R67-M71 WeakPolarHBondContact O-CB 3.24Å; R67-M71 PolarHBondContact O-N 2.9Å; Q68-M71 PolarHBondContact O-N 2.62Å; V69-M71 VanDerWaalsContact C-N 3.31Å; V69-M71 PolarHBondContact O-N 3.33Å; M71-R74 PolarHBondContact O-N 3.48Å; M71-L75 HydrophobicContact CE-CD1 3.91Å; M71-L75 HydrophobicContact CE-CD2 3.53Å; M71-L75 HydrophobicContact CE-CG 3.45Å; M71-L75 VanDerWaalsContact CE-CG 3.45Å; M71-L75 HydrophobicContact CG-CD1 4.3Å; M71-L75 WeakPolarHBondContact O-CB 3.5Å; M71-L75 VanDerWaalsContact O-CG 3.31Å; M71-L75 WeakPolarHBondContact O-CG 3.41Å; M71-L75 PolarHBondContact O-N 3.32Å; M71-F392 HydrophobicContact CB-CD1 3.64Å; M71-F392 HydrophobicContact CB-CE1 3.6Å; M71-F392 HydrophobicContact CG-CD1 3.63Å; M71-F392 HydrophobicContact CG-CE1 3.24Å; M71-F392 HydrophobicContact CG-CG 4.47Å; M71-F392 HydrophobicContact CG-CZ 3.83Å; M71-P396 HydrophobicContact CE-CB 4.2Å; M71-P396 HydrophobicContact CG-CB 3.93Å; M71-P396 HydrophobicContact CG-CG 3.73Å; M71-P396 HydrophobicContact SD-CB 3.94Å; M71-P396 HydrophobicContact SD-CG 3.89Å; M71-R397 HydrophobicContact SD-CB 3.94Å; M71-R397 PolarHBondContact SD-N 3.43Å; M71-Y400 HydrophobicContact CE-CD1 4.35Å; M71-Y400 HydrophobicContact CE-CG 4.41Å
72Y97.3Very high95.3Very high0 Ų021.8 Ų21.80%010%0.1CC..Hα-helixtrans-63.2-47.1176-77.2-21.7000112.5L34 H38 F45 Q68 V69 R74 L75 Y76 I87 A90 F392L34-Y72 HydrophobicContact CD2-CE1 3.8Å; L34-Y72 HydrophobicContact CD2-CE2 4.2Å; L34-Y72 WeakPolarHBondContact CD2-OH 3.44Å; L34-Y72 HydrophobicContact CG-CE1 4.26Å; H38-Y72 AromaticContact NE2-CE2 3.5Å; H38-Y72 WeakPolarHBondContact NE2-CE2 3.3Å; H38-Y72 AromaticContact NE2-CZ 3.59Å; H38-Y72 PolarHBondContact NE2-OH 3.27Å; F45-Y72 HydrophobicContact CE1-CD2 4.32Å; F45-Y72 AromaticContact CE1-CE2 3.77Å; F45-Y72 HydrophobicContact CE1-CE2 3.77Å; F45-Y72 HydrophobicContact CZ-CD2 4.16Å; F45-Y72 HydrophobicContact CZ-CE2 4.05Å; Q68-Y72 HydrophobicContact CG-CD2 4.28Å; Q68-Y72 HydrophobicContact CG-CE2 3.94Å; Q68-Y72 PolarHBondContact NE2-OH 2.87Å; Q68-Y72 VanDerWaalsContact NE2-OH 3.13Å; Q68-Y72 PolarHBondContact O-N 3.34Å; V69-Y72 PolarHBondContact O-N 2.98Å; Y72-R74 VanDerWaalsContact C-N 3.33Å; Y72-R74 PolarHBondContact O-N 3.46Å; Y72-L75 PolarHBondContact O-N 2.97Å; Y72-Y76 VanDerWaalsContact O-CB 3.26Å; Y72-Y76 WeakPolarHBondContact O-CB 3.3Å; Y72-Y76 PolarHBondContact O-N 3.04Å; Y72-I87 HydrophobicContact CD1-CG2 4.04Å; Y72-I87 HydrophobicContact CG-CG2 3.99Å; Y72-A90 HydrophobicContact CD2-CB 4.05Å; Y72-A90 HydrophobicContact CE2-CB 3.9Å; Y72-F392 AromaticContact CD1-CD1 3.91Å; Y72-F392 HydrophobicContact CD1-CD1 3.91Å; Y72-F392 AromaticContact CD1-CE1 3.24Å; Y72-F392 HydrophobicContact CD1-CE1 3.24Å; Y72-F392 AromaticContact CD1-CZ 3.96Å; Y72-F392 HydrophobicContact CD1-CZ 3.96Å; Y72-F392 AromaticContact CE1-CD1 3.67Å; Y72-F392 HydrophobicContact CE1-CD1 3.67Å; Y72-F392 AromaticContact CE1-CE1 3.21Å; Y72-F392 HydrophobicContact CE1-CE1 3.21Å; Y72-F392 HydrophobicContact CE1-CG 4.49Å; Y72-F392 AromaticContact CE1-CZ 3.68Å; Y72-F392 HydrophobicContact CE1-CZ 3.68Å; Y72-F392 HydrophobicContact CG-CE1 4.24Å
73C96.3Very high95.2Very high1 Ų127.8 Ų27.81%0.00712%0.123CC..Hα-helixtrans-61.2-43176.5-68.80000111.8V69 W70 Y76 R77 E142 L143 V146V69-C73 PolarHBondContact O-N 3.33Å; V69-C73 PolarHBondContact O-SG 3.43Å; V69-C73 VanDerWaalsContact O-SG 3.38Å; W70-C73 PolarHBondContact O-N 3.24Å; C73-Y76 PolarHBondContact O-N 3.44Å; C73-R77 WeakPolarHBondContact O-CB 3.37Å; C73-R77 PolarHBondContact O-N 3.39Å; C73-E142 HydrophobicContact CB-CB 3.57Å; C73-E142 HydrophobicContact CB-CG 4.41Å; C73-L143 VanDerWaalsContact SG-CD1 3.56Å; C73-V146 HydrophobicContact CB-CG1 4.09Å; C73-V146 HydrophobicContact CB-CG2 4.28Å
74R95.4Very high95.2Very high12 Ų1229.2 Ų29.25%0.04513%0.128CC..Hα-helixtrans-61.5-46.9178.9-17666.477.6157.90.5111.6W70 M71 Y72 R77 S78 E142 E203 Y400W70-R74 HydrophobicContact CH2-CG 4.18Å; W70-R74 HydrophobicContact CZ2-CG 4.17Å; W70-R74 WeakPolarHBondContact O-CB 3.41Å; W70-R74 PolarHBondContact O-N 3.22Å; M71-R74 PolarHBondContact O-N 3.48Å; Y72-R74 VanDerWaalsContact C-N 3.33Å; Y72-R74 PolarHBondContact O-N 3.46Å; R74-R77 PolarHBondContact O-N 2.95Å; R74-S78 VanDerWaalsContact O-CB 3.27Å; R74-S78 WeakPolarHBondContact O-CB 3.29Å; R74-S78 PolarHBondContact O-N 3.39Å; R74-S78 PolarHBondContact O-OG 2.82Å; R74-E142 IonicContact CZ-OE1 3.74Å; R74-E142 IonicContact NE-OE1 3.34Å; R74-E142 PolarHBondContact NE-OE1 3.32Å; R74-E142 IonicContact NH1-OE1 3.69Å; R74-E142 IonicContact NH2-OE1 2.69Å; R74-E142 PolarHBondContact NH2-OE1 3.36Å; R74-E203 IonicContact CZ-OE1 3.36Å; R74-E203 IonicContact CZ-OE2 2.57Å; R74-E203 VanDerWaalsContact CZ-OE2 3.27Å; R74-E203 IonicContact NH1-OE1 3.12Å; R74-E203 PolarHBondContact NH1-OE1 3.25Å; R74-E203 IonicContact NH1-OE2 3.92Å; R74-E203 PolarHBondContact NH1-OE2 3.32Å; R74-E203 IonicContact NH2-OE1 3.92Å; R74-E203 IonicContact NH2-OE2 3.42Å; R74-E203 PolarHBondContact NH2-OE2 2.85Å; R74-Y400 HydrophobicContact CG-CE1 4.01Å
75L95.4Very high95.1Very high0 Ų033.9 Ų33.90%016%0.159CC..Hα-helixtrans-63.8-44.5175.9-70.8175.2000111.9L26 V30 M71 Y72 R77 S78 V79 F82 F392 Y400L26-L75 HydrophobicContact CD2-CD2 4.31Å; V30-L75 HydrophobicContact CG2-CD1 3.67Å; M71-L75 HydrophobicContact CE-CD1 3.91Å; M71-L75 HydrophobicContact CE-CD2 3.53Å; M71-L75 HydrophobicContact CE-CG 3.45Å; M71-L75 VanDerWaalsContact CE-CG 3.45Å; M71-L75 HydrophobicContact CG-CD1 4.3Å; M71-L75 WeakPolarHBondContact O-CB 3.5Å; M71-L75 VanDerWaalsContact O-CG 3.31Å; M71-L75 WeakPolarHBondContact O-CG 3.41Å; M71-L75 PolarHBondContact O-N 3.32Å; Y72-L75 PolarHBondContact O-N 2.97Å; L75-R77 VanDerWaalsContact C-N 3.28Å; L75-R77 PolarHBondContact O-N 3.42Å; L75-S78 PolarHBondContact O-N 3.36Å; L75-V79 HydrophobicContact CD2-CG2 4.18Å; L75-V79 PolarHBondContact O-N 3.34Å; L75-F82 HydrophobicContact CB-CB 3.93Å; L75-F82 HydrophobicContact CB-CD2 4.1Å; L75-F82 HydrophobicContact CB-CG 4.24Å; L75-F82 HydrophobicContact CD1-CD2 4.37Å; L75-F82 HydrophobicContact CD2-CD2 3.88Å; L75-F82 HydrophobicContact CD2-CE2 4.16Å; L75-F82 HydrophobicContact CG-CD2 4.33Å; L75-F392 HydrophobicContact CD1-CE1 4.22Å; L75-F392 HydrophobicContact CD1-CZ 3.78Å; L75-Y400 HydrophobicContact CD2-CD2 4.23Å; L75-Y400 HydrophobicContact CD2-CG 4.18Å
76Y95.6Very high94.9Very high51 Ų5137.3 Ų37.320%0.218%0.177CC..Hα-helixtrans-59.4-38.3179.8-179.4-90.5000112.8Y72 C73 R83 R84 L88 V146Y72-Y76 VanDerWaalsContact O-CB 3.26Å; Y72-Y76 WeakPolarHBondContact O-CB 3.3Å; Y72-Y76 PolarHBondContact O-N 3.04Å; C73-Y76 PolarHBondContact O-N 3.44Å; Y76-R83 HydrophobicContact CD2-CB 4.47Å; Y76-R83 HydrophobicContact CD2-CG 4.14Å; Y76-R83 HydrophobicContact CE1-CG 4.11Å; Y76-R83 HydrophobicContact CE2-CB 4.38Å; Y76-R83 HydrophobicContact CE2-CG 3.68Å; Y76-R84 WeakPolarHBondContact CD2-O 3.47Å; Y76-R84 WeakPolarHBondContact CE2-O 3.46Å; Y76-L88 HydrophobicContact CD2-CB 3.98Å; Y76-L88 HydrophobicContact CE1-CD1 4.49Å; Y76-L88 HydrophobicContact CE1-CD2 4.16Å; Y76-L88 HydrophobicContact CE2-CB 3.82Å; Y76-L88 HydrophobicContact CE2-CD2 4.3Å; Y76-L88 HydrophobicContact CG-CB 4.5Å; Y76-V146 HydrophobicContact CD1-CB 4.45Å; Y76-V146 HydrophobicContact CD1-CG1 4.21Å
77R93.6Very high94.8Very high75 Ų7537.3 Ų37.328%0.28318%0.177SC..Hα-helixtrans-76.3-49178.2170.5165.367.6102-12.6112.4C73 R74 L75 R83 E142 V146 E203C73-R77 WeakPolarHBondContact O-CB 3.37Å; C73-R77 PolarHBondContact O-N 3.39Å; R74-R77 PolarHBondContact O-N 2.95Å; L75-R77 VanDerWaalsContact C-N 3.28Å; L75-R77 PolarHBondContact O-N 3.42Å; R77-R83 PolarHBondContact O-NH2 2.81Å; R77-E142 IonicContact CZ-OE1 2.86Å; R77-E142 IonicContact CZ-OE2 3.9Å; R77-E142 IonicContact NE-OE2 3.62Å; R77-E142 PolarHBondContact NE-OE2 3.05Å; R77-E142 IonicContact NH2-OE1 3.98Å; R77-E142 PolarHBondContact NH2-OE1 3.37Å; R77-E142 IonicContact NH2-OE2 3.73Å; R77-E142 PolarHBondContact NH2-OE2 3.38Å; R77-V146 HydrophobicContact CB-CG1 4.33Å; R77-E203 IonicContact CZ-OE1 2.66Å; R77-E203 IonicContact NH1-OE1 3.84Å; R77-E203 PolarHBondContact NH1-OE1 2.89Å; R77-E203 IonicContact NH2-OE1 3.99Å; R77-E203 PolarHBondContact NH2-OE1 3.46Å
78S91.5Very high94.7Very high48 Ų4836.9 Ų36.934%0.33618%0.177SC..Hα-helixtrans-93.1-17.1-164.9-61.40000114.8R74 L75 Y400R74-S78 VanDerWaalsContact O-CB 3.27Å; R74-S78 WeakPolarHBondContact O-CB 3.29Å; R74-S78 PolarHBondContact O-N 3.39Å; R74-S78 PolarHBondContact O-OG 2.82Å; L75-S78 PolarHBondContact O-N 3.36Å; S78-Y400 WeakPolarHBondContact CB-OH 3.36Å; S78-Y400 PolarHBondContact OG-OH 3.09Å; S78-Y400 VanDerWaalsContact OG-OH 3.11Å
79V92.3Very high94.6Very high16 Ų1641.9 Ų41.910%0.09720%0.2CC..  trans-131.1111.9-174.8-167.80000109.8L75 R81 F82 R83 Y400L75-V79 HydrophobicContact CD2-CG2 4.18Å; L75-V79 PolarHBondContact O-N 3.34Å; V79-R81 VanDerWaalsContact C-N 3.25Å; V79-R81 HydrophobicContact CG1-CG 3.84Å; V79-R81 PolarHBondContact O-N 3.01Å; V79-R81 VanDerWaalsContact O-N 3.12Å; V79-F82 HydrophobicContact CB-CD2 3.78Å; V79-F82 HydrophobicContact CG1-CD2 3.75Å; V79-F82 HydrophobicContact CG1-CE2 4.17Å; V79-F82 HydrophobicContact CG2-CD2 4.31Å; V79-F82 PolarHBondContact O-N 3.06Å; V79-R83 PolarHBondContact O-N 3.14Å; V79-Y400 HydrophobicContact CG2-CD2 3.56Å; V79-Y400 HydrophobicContact CG2-CE2 3.59Å
80D90.1Very high94.5Very high107 Ų10742.3 Ų42.357%0.57220%0.204SC*.G310 helixtrans-57.7-34.1-172.4-75.5-29.3000113.9F82 R83D80-F82 PolarHBondContact O-N 2.86Å; D80-R83 WeakPolarHBondContact O-CB 3.3Å; D80-R83 PolarHBondContact O-N 3.13Å; D80-R83 VanDerWaalsContact O-N 3.09Å; D80-R83 IonicContact OD1-CZ 2.99Å; D80-R83 IonicContact OD1-NH1 3.39Å; D80-R83 PolarHBondContact OD1-NH1 2.57Å; D80-R83 IonicContact OD1-NH2 3.68Å; D80-R83 PolarHBondContact OD1-NH2 2.99Å
81R93.6Very high94.4Very high61 Ų6141.7 Ų41.723%0.2320%0.201CC..G310 helixtrans-66.9-22.1178.177-170.2179-108.77.3114.1D27 V79 E403D27-R81 IonicContact OD1-CZ 3.77Å; D27-R81 IonicContact OD1-NE 3.98Å; D27-R81 PolarHBondContact OD1-NE 2.66Å; D27-R81 IonicContact OD1-NH2 2.83Å; D27-R81 PolarHBondContact OD1-NH2 2.78Å; D27-R81 IonicContact OD2-NE 3.27Å; V79-R81 VanDerWaalsContact C-N 3.25Å; V79-R81 HydrophobicContact CG1-CG 3.84Å; V79-R81 PolarHBondContact O-N 3.01Å; V79-R81 VanDerWaalsContact O-N 3.12Å; R81-E403 IonicContact CZ-OE1 2.78Å; R81-E403 IonicContact CZ-OE2 2.66Å; R81-E403 IonicContact NH1-OE1 3.87Å; R81-E403 PolarHBondContact NH1-OE1 2.9Å; R81-E403 IonicContact NH1-OE2 3.44Å; R81-E403 PolarHBondContact NH1-OE2 3.21Å; R81-E403 IonicContact NH2-OE1 2.74Å; R81-E403 PolarHBondContact NH2-OE1 3.38Å; R81-E403 IonicContact NH2-OE2 3.47Å; R81-E403 PolarHBondContact NH2-OE2 2.74Å
82F94.1Very high94.3Very high5 Ų544.6 Ų44.62%0.02221%0.214CC..G310 helixtrans-99.85.3176-61.8-54.5000112.5L26 D27 V30 L75 V79 D80 R84 I87L26-F82 HydrophobicContact CD2-CE2 3.82Å; L26-F82 HydrophobicContact CD2-CZ 4.42Å; L26-F82 HydrophobicContact CG-CE2 3.84Å; L26-F82 HydrophobicContact CG-CZ 3.95Å; D27-F82 WeakPolarHBondContact OD1-CZ 3.32Å; V30-F82 HydrophobicContact CB-CD1 4.45Å; V30-F82 HydrophobicContact CB-CE1 3.78Å; V30-F82 HydrophobicContact CB-CZ 4.19Å; V30-F82 HydrophobicContact CG1-CD1 3.89Å; V30-F82 HydrophobicContact CG1-CE1 3.69Å; V30-F82 HydrophobicContact CG2-CD1 4.36Å; V30-F82 HydrophobicContact CG2-CE1 3.73Å; V30-F82 HydrophobicContact CG2-CE2 4.32Å; V30-F82 HydrophobicContact CG2-CZ 3.7Å; L75-F82 HydrophobicContact CB-CB 3.93Å; L75-F82 HydrophobicContact CB-CD2 4.1Å; L75-F82 HydrophobicContact CB-CG 4.24Å; L75-F82 HydrophobicContact CD1-CD2 4.37Å; L75-F82 HydrophobicContact CD2-CD2 3.88Å; L75-F82 HydrophobicContact CD2-CE2 4.16Å; L75-F82 HydrophobicContact CG-CD2 4.33Å; V79-F82 HydrophobicContact CB-CD2 3.78Å; V79-F82 HydrophobicContact CG1-CD2 3.75Å; V79-F82 HydrophobicContact CG1-CE2 4.17Å; V79-F82 HydrophobicContact CG2-CD2 4.31Å; V79-F82 PolarHBondContact O-N 3.06Å; D80-F82 PolarHBondContact O-N 2.86Å; F82-R84 PolarHBondContact O-N 2.75Å; F82-I87 HydrophobicContact CB-CD1 3.88Å; F82-I87 HydrophobicContact CD1-CD1 4.07Å; F82-I87 HydrophobicContact CG-CD1 4.41Å; F82-I87 VanDerWaalsContact O-CD1 3.3Å; F82-I87 WeakPolarHBondContact O-CD1 3.31Å
83R93.7Very high94.1Very high127 Ų12746.5 Ų46.548%0.47923%0.23SC..  trans-75.962.6171.3-164.7179.3-70140.87.9110.7Y76 R77 V79 D80Y76-R83 HydrophobicContact CD2-CB 4.47Å; Y76-R83 HydrophobicContact CD2-CG 4.14Å; Y76-R83 HydrophobicContact CE1-CG 4.11Å; Y76-R83 HydrophobicContact CE2-CB 4.38Å; Y76-R83 HydrophobicContact CE2-CG 3.68Å; R77-R83 PolarHBondContact O-NH2 2.81Å; V79-R83 PolarHBondContact O-N 3.14Å; D80-R83 WeakPolarHBondContact O-CB 3.3Å; D80-R83 PolarHBondContact O-N 3.13Å; D80-R83 VanDerWaalsContact O-N 3.09Å; D80-R83 IonicContact OD1-CZ 2.99Å; D80-R83 IonicContact OD1-NH1 3.39Å; D80-R83 PolarHBondContact OD1-NH1 2.57Å; D80-R83 IonicContact OD1-NH2 3.68Å; D80-R83 PolarHBondContact OD1-NH2 2.99Å
84R93.9Very high94.1Very high67 Ų6746.5 Ų46.525%0.25323%0.229SC..  trans-112.2143.6-177.3-49.6-166.7-44.2-149.710111E31 Y76 F82 D86 I87 L88E31-R84 IonicContact OE1-CZ 3.72Å; E31-R84 IonicContact OE1-NH1 2.7Å; E31-R84 PolarHBondContact OE1-NH1 2.91Å; E31-R84 IonicContact OE1-NH2 2.73Å; E31-R84 PolarHBondContact OE1-NH2 3.09Å; E31-R84 VanDerWaalsContact OE1-NH2 3.09Å; Y76-R84 WeakPolarHBondContact CD2-O 3.47Å; Y76-R84 WeakPolarHBondContact CE2-O 3.46Å; F82-R84 PolarHBondContact O-N 2.75Å; R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 WeakPolarHBondContact CB-OD1 3.45Å; R84-D86 IonicContact CZ-OD1 3.46Å; R84-D86 IonicContact CZ-OD2 2.75Å; R84-D86 IonicContact NE-OD1 2.62Å; R84-D86 PolarHBondContact NE-OD1 3.36Å; R84-D86 IonicContact NE-OD2 2.77Å; R84-D86 PolarHBondContact NE-OD2 2.92Å; R84-D86 IonicContact NH2-OD1 3.76Å; R84-D86 IonicContact NH2-OD2 3.48Å; R84-D86 PolarHBondContact NH2-OD2 3.35Å; R84-D86 PolarHBondContact O-N 3.47Å; R84-I87 HydrophobicContact CB-CD1 4.31Å; R84-I87 HydrophobicContact CG-CD1 4.39Å; R84-I87 PolarHBondContact O-N 2.57Å; R84-L88 PolarHBondContact O-N 3.07Å
85P93.2Very high94Very high100 Ų10045.9 Ų45.965%0.64923%0.227SC*.Hα-helixtrans-60-37.1-179.2-25.534.7000113.9I87 L88 E89P85-I87 VanDerWaalsContact C-N 3.32Å; P85-I87 PolarHBondContact O-N 3.33Å; P85-L88 PolarHBondContact O-N 3Å; P85-E89 WeakPolarHBondContact O-CG 3.48Å; P85-E89 PolarHBondContact O-N 2.97Å
86D93.8Very high94Very high71 Ų7152.2 Ų52.238%0.3826%0.257SS..Hα-helixtrans-60.4-39.5179.962.2-44.6000112.6R84 A90R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 WeakPolarHBondContact CB-OD1 3.45Å; R84-D86 IonicContact CZ-OD1 3.46Å; R84-D86 IonicContact CZ-OD2 2.75Å; R84-D86 IonicContact NE-OD1 2.62Å; R84-D86 PolarHBondContact NE-OD1 3.36Å; R84-D86 IonicContact NE-OD2 2.77Å; R84-D86 PolarHBondContact NE-OD2 2.92Å; R84-D86 IonicContact NH2-OD1 3.76Å; R84-D86 IonicContact NH2-OD2 3.48Å; R84-D86 PolarHBondContact NH2-OD2 3.35Å; R84-D86 PolarHBondContact O-N 3.47Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.26Å; D86-A90 PolarHBondContact O-N 3.41Å
87I94.4Very high93.9Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-65.8-44176.4-68.1170.8000110.8V30 L34 Y72 F82 R84 P85 A91V30-I87 HydrophobicContact CG1-CD1 4.38Å; L34-I87 HydrophobicContact CD1-CD1 4.22Å; L34-I87 HydrophobicContact CD1-CG1 3.86Å; L34-I87 HydrophobicContact CD2-CG1 3.96Å; Y72-I87 HydrophobicContact CD1-CG2 4.04Å; Y72-I87 HydrophobicContact CG-CG2 3.99Å; F82-I87 HydrophobicContact CB-CD1 3.88Å; F82-I87 HydrophobicContact CD1-CD1 4.07Å; F82-I87 HydrophobicContact CG-CD1 4.41Å; F82-I87 VanDerWaalsContact O-CD1 3.3Å; F82-I87 WeakPolarHBondContact O-CD1 3.31Å; R84-I87 HydrophobicContact CB-CD1 4.31Å; R84-I87 HydrophobicContact CG-CD1 4.39Å; R84-I87 PolarHBondContact O-N 2.57Å; P85-I87 VanDerWaalsContact C-N 3.32Å; P85-I87 PolarHBondContact O-N 3.33Å; I87-A91 WeakPolarHBondContact O-CB 3.37Å; I87-A91 PolarHBondContact O-N 3.45Å
88L94.9Very high94Very high20 Ų2046.4 Ų46.411%0.10524%0.235CC..Hα-helixtrans-67.7-43.5-179.9-179.661.2000111.9Y76 R84 P85 A90 A91 K92 V146Y76-L88 HydrophobicContact CD2-CB 3.98Å; Y76-L88 HydrophobicContact CE1-CD1 4.49Å; Y76-L88 HydrophobicContact CE1-CD2 4.16Å; Y76-L88 HydrophobicContact CE2-CB 3.82Å; Y76-L88 HydrophobicContact CE2-CD2 4.3Å; Y76-L88 HydrophobicContact CG-CB 4.5Å; R84-L88 PolarHBondContact O-N 3.07Å; P85-L88 PolarHBondContact O-N 3Å; L88-A90 VanDerWaalsContact C-N 3.35Å; L88-A91 PolarHBondContact O-N 2.9Å; L88-K92 HydrophobicContact CG-CD 4.5Å; L88-K92 WeakPolarHBondContact O-CG 3.41Å; L88-K92 PolarHBondContact O-N 2.91Å; L88-V146 HydrophobicContact CD1-CB 4.16Å; L88-V146 HydrophobicContact CD1-CG2 3.65Å
89E94.9Very high94Very high105 Ų10547.1 Ų47.149%0.49123%0.23SC..Hα-helixtrans-65.7-38.5178-66.4-49.6124.500111.6P85 A91 K92 A93P85-E89 WeakPolarHBondContact O-CG 3.48Å; P85-E89 PolarHBondContact O-N 2.97Å; E89-A91 PolarHBondContact O-N 3.09Å; E89-K92 PolarHBondContact O-N 3.34Å; E89-K92 IonicContact OE1-NZ 2.75Å; E89-K92 PolarHBondContact OE1-NZ 3.44Å; E89-K92 IonicContact OE2-NZ 2.8Å; E89-A93 WeakPolarHBondContact O-CB 3.4Å; E89-A93 PolarHBondContact O-N 3.31Å
90A94.8Very high93.9Very high9 Ų953.9 Ų53.97%0.07426%0.258CS..Hα-helixtrans-61.7-43.2172.100000112.1H38 F45 Y72 D86 L88 A93 G94H38-A90 WeakPolarHBondContact CE1-CB 3.49Å; F45-A90 HydrophobicContact CE1-CB 4.33Å; F45-A90 VanDerWaalsContact CZ-O 3.32Å; F45-A90 WeakPolarHBondContact CZ-O 3.5Å; Y72-A90 HydrophobicContact CD2-CB 4.05Å; Y72-A90 HydrophobicContact CE2-CB 3.9Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.26Å; D86-A90 PolarHBondContact O-N 3.41Å; L88-A90 VanDerWaalsContact C-N 3.35Å; A90-A93 PolarHBondContact O-N 3.01Å; A90-G94 PolarHBondContact O-N 2.94Å
91A95.4Very high94.1Very high0 Ų051.2 Ų51.20%024%0.241CC..Hα-helixtrans-63.2-42.417700000112.4I87 L88 E89 G94 G95 L143I87-A91 WeakPolarHBondContact O-CB 3.37Å; I87-A91 PolarHBondContact O-N 3.45Å; L88-A91 PolarHBondContact O-N 2.9Å; E89-A91 PolarHBondContact O-N 3.09Å; A91-G94 PolarHBondContact O-N 2.96Å; A91-G95 PolarHBondContact O-N 3.48Å; A91-L143 HydrophobicContact CB-CD1 4.19Å
92K95.3Very high93.8Very high62 Ų6248.3 Ų48.327%0.2723%0.23SC..Hα-helixtrans-60.7-49174.2-72.1172.6-177168.10111.6L88 E89 G94 G95 E96 L143 T147L88-K92 HydrophobicContact CG-CD 4.5Å; L88-K92 WeakPolarHBondContact O-CG 3.41Å; L88-K92 PolarHBondContact O-N 2.91Å; E89-K92 PolarHBondContact O-N 3.34Å; E89-K92 IonicContact OE1-NZ 2.75Å; E89-K92 PolarHBondContact OE1-NZ 3.44Å; E89-K92 IonicContact OE2-NZ 2.8Å; K92-G94 VanDerWaalsContact C-N 3.29Å; K92-G94 PolarHBondContact O-N 3.46Å; K92-G95 PolarHBondContact O-N 3.35Å; K92-G95 VanDerWaalsContact O-N 3.1Å; K92-E96 WeakPolarHBondContact O-CG 3.18Å; K92-E96 PolarHBondContact O-N 2.77Å; K92-L143 HydrophobicContact CG-CD1 4.24Å; K92-T147 HydrophobicContact CG-CG2 4.26Å
93A95.1Very high93.6Very high40 Ų4052.3 Ų52.333%0.33125%0.245SC..Hα-helixtrans-59.8-39.3178.500000112.3E89 A90 F97E89-A93 WeakPolarHBondContact O-CB 3.4Å; E89-A93 PolarHBondContact O-N 3.31Å; A90-A93 PolarHBondContact O-N 3.01Å; A93-F97 WeakPolarHBondContact O-CB 3.3Å; A93-F97 PolarHBondContact O-N 3.32Å; A93-F97 VanDerWaalsContact O-N 3.11Å
94G95.3Very high93.3Very high0 Ų048.2 Ų48.20%023%0.234CC..Hα-helixtrans-66.6-40.9173.200000113.2A90 A91 K92 F97 L98A90-G94 PolarHBondContact O-N 2.94Å; A91-G94 PolarHBondContact O-N 2.96Å; K92-G94 VanDerWaalsContact C-N 3.29Å; K92-G94 PolarHBondContact O-N 3.46Å; G94-F97 PolarHBondContact O-N 2.81Å; G94-L98 WeakPolarHBondContact O-CG 3.25Å; G94-L98 PolarHBondContact O-N 2.66Å
95G93.9Very high92.5Very high0 Ų049.9 Ų49.90%026%0.256CS..Hα-helixtrans-64.7-43.6176.200000113.1A91 K92 F97 L98 R99A91-G95 PolarHBondContact O-N 3.48Å; K92-G95 PolarHBondContact O-N 3.35Å; K92-G95 VanDerWaalsContact O-N 3.1Å; G95-F97 VanDerWaalsContact C-N 3.35Å; G95-F97 PolarHBondContact O-N 3.29Å; G95-L98 WeakPolarHBondContact O-CB 3.13Å; G95-L98 PolarHBondContact O-N 3.42Å; G95-R99 WeakPolarHBondContact O-CG 3.3Å; G95-R99 PolarHBondContact O-N 2.99Å
96E93.9Very high91.3Very high132 Ų13247.1 Ų47.162%0.61724%0.237SC*.Hα-helixtrans-61.3-43.3174.6-73.2-178.4176.900111.7K92 L98 R99 K100K92-E96 WeakPolarHBondContact O-CG 3.18Å; K92-E96 PolarHBondContact O-N 2.77Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.06Å; E96-R99 PolarHBondContact O-N 2.88Å; E96-K100 VanDerWaalsContact O-CB 3.28Å; E96-K100 WeakPolarHBondContact O-CB 3.14Å; E96-K100 PolarHBondContact O-N 3.17Å
97F95.3Very high89.6Confident5 Ų551.8 Ų51.82%0.02226%0.262CS..Hα-helixtrans-58.4-46.5174.4-177.9-92.6000111.4H42 K60 A93 G94 G95 K100 F101 L117H42-F97 WeakPolarHBondContact O-CD2 3.27Å; K60-F97 HydrophobicContact CB-CE1 3.99Å; K60-F97 HydrophobicContact CB-CZ 4.06Å; K60-F97 HydrophobicContact CG-CE1 4.15Å; K60-F97 HydrophobicContact CG-CZ 3.82Å; A93-F97 WeakPolarHBondContact O-CB 3.3Å; A93-F97 PolarHBondContact O-N 3.32Å; A93-F97 VanDerWaalsContact O-N 3.11Å; G94-F97 PolarHBondContact O-N 2.81Å; G95-F97 VanDerWaalsContact C-N 3.35Å; G95-F97 PolarHBondContact O-N 3.29Å; F97-K100 PolarHBondContact O-N 3.39Å; F97-F101 AromaticContact CD2-CD2 3.45Å; F97-F101 HydrophobicContact CD2-CD2 3.45Å; F97-F101 VanDerWaalsContact CD2-CD2 3.45Å; F97-F101 AromaticContact CD2-CE2 3.79Å; F97-F101 HydrophobicContact CD2-CE2 3.79Å; F97-F101 AromaticContact CE2-CD2 3.55Å; F97-F101 HydrophobicContact CE2-CD2 3.55Å; F97-F101 AromaticContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CE2-CG 4.35Å; F97-F101 HydrophobicContact CG-CD2 4.02Å; F97-F101 HydrophobicContact CZ-CB 4.49Å; F97-F101 HydrophobicContact CZ-CD2 4.2Å; F97-F101 WeakPolarHBondContact O-CB 3.43Å; F97-F101 WeakPolarHBondContact O-CD2 3.46Å; F97-F101 PolarHBondContact O-N 2.75Å; F97-L117 HydrophobicContact CE1-CD1 3.71Å; F97-L117 HydrophobicContact CZ-CD1 4.08Å
98L93.9Very high88.1Confident0 Ų054.7 Ų54.70%029%0.293CS..Iπ-helixtrans-61.3-49.2176.3-76.9173000112.2V62 Q65 V69 G94 G95 E96 K100 A102 Y136 A139 M140V62-L98 HydrophobicContact CG1-CD2 3.99Å; Q65-L98 HydrophobicContact CB-CD1 4.25Å; Q65-L98 HydrophobicContact CB-CD2 3.69Å; Q65-L98 HydrophobicContact CB-CG 4.09Å; Q65-L98 HydrophobicContact CG-CD2 4.44Å; V69-L98 HydrophobicContact CG2-CD1 4.11Å; G94-L98 WeakPolarHBondContact O-CG 3.25Å; G94-L98 PolarHBondContact O-N 2.66Å; G95-L98 WeakPolarHBondContact O-CB 3.13Å; G95-L98 PolarHBondContact O-N 3.42Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.06Å; L98-K100 VanDerWaalsContact C-N 3.26Å; L98-K100 PolarHBondContact O-N 3.25Å; L98-A102 HydrophobicContact CD2-CB 3.91Å; L98-A102 WeakPolarHBondContact O-CB 3.24Å; L98-A102 PolarHBondContact O-N 2.87Å; L98-Y136 HydrophobicContact CB-CD2 4.17Å; L98-Y136 HydrophobicContact CB-CE2 3.86Å; L98-Y136 HydrophobicContact CD2-CD2 4.39Å; L98-A139 HydrophobicContact CD1-CB 3.99Å; L98-M140 HydrophobicContact CB-CE 3.7Å; L98-M140 HydrophobicContact CD1-CE 4.05Å
99R91.8Very high86.5Confident63 Ų6362 Ų6224%0.23833%0.332CS..Iπ-helixtrans-58.9-38.4178.7-71.3-174.380.2-161.5-0112.4G95 E96 Y136 M140 D149 E151 E155G95-R99 WeakPolarHBondContact O-CG 3.3Å; G95-R99 PolarHBondContact O-N 2.99Å; E96-R99 PolarHBondContact O-N 2.88Å; R99-Y136 WeakPolarHBondContact CA-OH 3.44Å; R99-M140 HydrophobicContact CG-CE 4Å; R99-M140 HydrophobicContact CG-SD 3.6Å; R99-M140 VanDerWaalsContact CG-SD 3.6Å; R99-D149 IonicContact NH1-OD2 3.47Å; R99-E151 IonicContact NH2-OE2 2.82Å; R99-E155 IonicContact CZ-OE2 2.81Å; R99-E155 IonicContact NE-OE1 3.41Å; R99-E155 IonicContact NE-OE2 2.84Å; R99-E155 PolarHBondContact NE-OE2 3.37Å; R99-E155 IonicContact NH2-OE2 2.63Å; R99-E155 PolarHBondContact NH2-OE2 2.92Å
100K91.6Very high85.4Confident158 Ų15860.2 Ų60.269%0.68732%0.323SS*.Iπ-helixtrans-79.1-39.3-177-172171.7176.5-178.80113.8E96 F97 L98E96-K100 VanDerWaalsContact O-CB 3.28Å; E96-K100 WeakPolarHBondContact O-CB 3.14Å; E96-K100 PolarHBondContact O-N 3.17Å; F97-K100 PolarHBondContact O-N 3.39Å; L98-K100 VanDerWaalsContact C-N 3.26Å; L98-K100 PolarHBondContact O-N 3.25Å
101F92.6Very high84.9Confident51 Ų5161.6 Ų61.622%0.22433%0.327CS..Iπ-helixtrans-121.8-21.2-164.9-60.9-66.3000115.3F97 R103 L117 G121F97-F101 AromaticContact CD2-CD2 3.45Å; F97-F101 HydrophobicContact CD2-CD2 3.45Å; F97-F101 VanDerWaalsContact CD2-CD2 3.45Å; F97-F101 AromaticContact CD2-CE2 3.79Å; F97-F101 HydrophobicContact CD2-CE2 3.79Å; F97-F101 AromaticContact CE2-CD2 3.55Å; F97-F101 HydrophobicContact CE2-CD2 3.55Å; F97-F101 AromaticContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CE2-CE2 3.96Å; F97-F101 HydrophobicContact CE2-CG 4.35Å; F97-F101 HydrophobicContact CG-CD2 4.02Å; F97-F101 HydrophobicContact CZ-CB 4.49Å; F97-F101 HydrophobicContact CZ-CD2 4.2Å; F97-F101 WeakPolarHBondContact O-CB 3.43Å; F97-F101 WeakPolarHBondContact O-CD2 3.46Å; F97-F101 PolarHBondContact O-N 2.75Å; F101-R103 PolarHBondContact O-N 3.32Å; F101-L117 HydrophobicContact CB-CD1 3.97Å; F101-L117 WeakPolarHBondContact O-CD2 3.32Å; F101-G121 WeakPolarHBondContact CB-O 3.34Å; F101-G121 WeakPolarHBondContact CD1-O 3.49Å
102A89.2Confident84.5Confident0 Ų062 Ų620%033%0.328CS..Iπ-helixtrans-68.3-28.5-177.800000112.1V62 L98 C113 A114 Y136V62-A102 HydrophobicContact CG1-CB 4.16Å; V62-A102 HydrophobicContact CG2-CB 4.44Å; L98-A102 HydrophobicContact CD2-CB 3.91Å; L98-A102 WeakPolarHBondContact O-CB 3.24Å; L98-A102 PolarHBondContact O-N 2.87Å; A102-C113 CarbonylContact O-C 3.36Å; A102-C113 VanDerWaalsContact O-CA 3.28Å; A102-C113 WeakPolarHBondContact O-CA 3.38Å; A102-A114 PolarHBondContact O-N 3.13Å; A102-Y136 HydrophobicContact CB-CD2 4.13Å; A102-Y136 HydrophobicContact CB-CE2 4.01Å
103R89.6Confident84.1Confident89 Ų8959 Ų5934%0.33632%0.316SS..EExtended strand (participates in β ladder)trans-77.5124.1-173.3-50.3-166.8-169.1142.819.1111.7F101 W111 K112 Y136 E155F101-R103 PolarHBondContact O-N 3.32Å; R103-W111 HydrophobicContact CB-CD2 4.43Å; R103-W111 HydrophobicContact CB-CE3 3.86Å; R103-W111 HydrophobicContact CB-CZ3 4.41Å; R103-W111 HydrophobicContact CG-CD2 4.17Å; R103-W111 HydrophobicContact CG-CE3 3.49Å; R103-W111 VanDerWaalsContact CG-CE3 3.49Å; R103-W111 HydrophobicContact CG-CH2 4.34Å; R103-W111 HydrophobicContact CG-CZ3 3.58Å; R103-K112 CarbonylContact C-O 3.54Å; R103-K112 WeakPolarHBondContact CA-O 3.47Å; R103-Y136 PolarHBondContact NE-OH 2.95Å; R103-Y136 PolarHBondContact NH2-OH 3Å; R103-E155 IonicContact CZ-OE1 3.62Å; R103-E155 IonicContact CZ-OE2 3.07Å; R103-E155 IonicContact NE-OE1 3.76Å; R103-E155 IonicContact NH2-OE1 3.71Å; R103-E155 PolarHBondContact NH2-OE1 2.84Å; R103-E155 IonicContact NH2-OE2 3.57Å; R103-E155 PolarHBondContact NH2-OE2 3.47Å
104V85.8Confident83.9Confident40 Ų4057.1 Ų57.124%0.24230%0.3CS..EExtended strand (participates in β ladder)trans-113.7115.8170.8-176.20000107.3T106 K112 A114 A123 V126V104-T106 PolarHBondContact O-N 2.67Å; V104-K112 PolarHBondContact N-O 3.42Å; V104-K112 PolarHBondContact O-N 3.05Å; V104-A114 HydrophobicContact CG2-CB 3.92Å; V104-A123 HydrophobicContact CG2-CB 3.92Å; V104-V126 HydrophobicContact CB-CG2 4.46Å; V104-V126 HydrophobicContact CG1-CG2 4.32Å; V104-V126 HydrophobicContact CG2-CG2 4.09Å
105S78.4Confident83.8Confident102 Ų10257.5 Ų57.571%0.71330%0.301SS*.EExtended strand (participates in β ladder)trans-64.2134.3176.7178.20000109.9
106T67.1Low83.7Confident42 Ų4257.8 Ų57.826%0.25830%0.303SS..  trans-109.7170.6171.351.30000109.8V104 G108 Q110 K112V104-T106 PolarHBondContact O-N 2.67Å; T106-G108 PolarHBondContact O-N 3.21Å; T106-Q110 PolarHBondContact N-O 2.85Å; T106-Q110 VanDerWaalsContact N-O 3.1Å; T106-Q110 VanDerWaalsContact OG1-C 3.3Å; T106-Q110 PolarHBondContact OG1-O 3.48Å; T106-K112 HydrophobicContact CG2-CB 4.4Å; T106-K112 HydrophobicContact CG2-CD 4.17Å; T106-K112 HydrophobicContact CG2-CG 3.78Å
107N58.3Low83.8Confident169 Ų16951.5 Ų51.590%0.90427%0.274SS*.SBendtrans-54.7122.9178.2-69.7-14.9000110.8
108G62.2Low83.7Confident62 Ų6253 Ų5364%0.63928%0.284SS*.SBendtrans98.5-156.5-177.800000114T106 Q110T106-G108 PolarHBondContact O-N 3.21Å; G108-Q110 VanDerWaalsContact C-N 3.28Å; G108-Q110 PolarHBondContact O-N 2.91Å
109N62.9Low83.8Confident174 Ų17456 Ų5693%0.9330%0.295SS*.SBendtrans-85.47178.2-77-1.1000113.6
110Q72.1Confident83.9Confident66 Ų6655.5 Ų55.531%0.30830%0.297SS..  trans-92.9145.5-178.7-68.4-177-1.900111.4T106 G108T106-Q110 PolarHBondContact N-O 2.85Å; T106-Q110 VanDerWaalsContact N-O 3.1Å; T106-Q110 VanDerWaalsContact OG1-C 3.3Å; T106-Q110 PolarHBondContact OG1-O 3.48Å; G108-Q110 VanDerWaalsContact C-N 3.28Å; G108-Q110 PolarHBondContact O-N 2.91Å
111W83.4Confident83.8Confident39 Ų3948.3 Ų48.315%0.14827%0.268CS..EExtended strand (participates in β ladder)trans-129.1149.8172.657.6-83.4000110.6R103 Y136 E155 M159 Q162R103-W111 HydrophobicContact CB-CD2 4.43Å; R103-W111 HydrophobicContact CB-CE3 3.86Å; R103-W111 HydrophobicContact CB-CZ3 4.41Å; R103-W111 HydrophobicContact CG-CD2 4.17Å; R103-W111 HydrophobicContact CG-CE3 3.49Å; R103-W111 VanDerWaalsContact CG-CE3 3.49Å; R103-W111 HydrophobicContact CG-CH2 4.34Å; R103-W111 HydrophobicContact CG-CZ3 3.58Å; W111-Y136 AromaticContact CH2-CD1 3.96Å; W111-Y136 HydrophobicContact CH2-CD1 3.96Å; W111-Y136 AromaticContact CH2-CE1 3.49Å; W111-Y136 HydrophobicContact CH2-CE1 3.49Å; W111-Y136 VanDerWaalsContact CH2-CE1 3.49Å; W111-Y136 AromaticContact CH2-CZ 3.98Å; W111-Y136 HydrophobicContact CZ3-CD1 4.38Å; W111-Y136 HydrophobicContact CZ3-CE1 4.06Å; W111-E155 HydrophobicContact CZ2-CG 4.46Å; W111-M159 HydrophobicContact CD2-CE 3.56Å; W111-M159 HydrophobicContact CE3-CE 3.36Å; W111-M159 HydrophobicContact CH2-CB 4.21Å; W111-M159 HydrophobicContact CH2-CE 3.18Å; W111-M159 HydrophobicContact CH2-CG 4.3Å; W111-M159 HydrophobicContact CZ2-CB 4.24Å; W111-M159 HydrophobicContact CZ2-CE 3.37Å; W111-M159 HydrophobicContact CZ3-CE 3.18Å; W111-Q162 PolarHBondContact O-NE2 3.38Å
112K86.2Confident83.8Confident7 Ų752.3 Ų52.33%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-114.5166.3174.7-66.5-158.679.5-1710110.7R103 V104 T106 Q127 E133 W166 G173 L174R103-K112 CarbonylContact C-O 3.54Å; R103-K112 WeakPolarHBondContact CA-O 3.47Å; V104-K112 PolarHBondContact N-O 3.42Å; V104-K112 PolarHBondContact O-N 3.05Å; T106-K112 HydrophobicContact CG2-CB 4.4Å; T106-K112 HydrophobicContact CG2-CD 4.17Å; T106-K112 HydrophobicContact CG2-CG 3.78Å; K112-Q127 PolarHBondContact NZ-O 3.23Å; K112-E133 WeakPolarHBondContact CE-OE1 3.12Å; K112-W166 HydrophobicContact CD-CH2 4.45Å; K112-W166 HydrophobicContact CG-CH2 3.8Å; K112-W166 HydrophobicContact CG-CZ2 4.02Å; K112-G173 WeakPolarHBondContact CD-O 2.99Å; K112-L174 PolarHBondContact NZ-O 2.89Å
113C87.9Confident83.9Confident0 Ų055 Ų550%031%0.308CS..EExtended strand (participates in β ladder)trans-92.9136.5167-70.90000110.8V62 A102 S132 E133V62-C113 HydrophobicContact CG1-CB 4.33Å; A102-C113 CarbonylContact O-C 3.36Å; A102-C113 VanDerWaalsContact O-CA 3.28Å; A102-C113 WeakPolarHBondContact O-CA 3.38Å; C113-S132 VanDerWaalsContact CB-CB 3.45Å; C113-E133 HydrophobicContact CB-CG 3.91Å; C113-E133 PolarHBondContact N-OE1 3.31Å
114A91.1Very high84Confident0 Ų054.8 Ų54.80%032%0.316CS..  trans-60.5157.8164.400000110.2V62 A102 V104 L117 A123 S132V62-A114 WeakPolarHBondContact CB-O 3.28Å; V62-A114 HydrophobicContact CG2-CB 4.34Å; V62-A114 WeakPolarHBondContact CG2-O 3.26Å; A102-A114 PolarHBondContact O-N 3.13Å; V104-A114 HydrophobicContact CG2-CB 3.92Å; A114-L117 HydrophobicContact CB-CD2 3.46Å; A114-L117 VanDerWaalsContact CB-CD2 3.46Å; A114-L117 HydrophobicContact CB-CG 4.26Å; A114-A123 HydrophobicContact CB-CB 4.16Å; A114-S132 WeakPolarHBondContact O-CB 3.3Å; A114-S132 PolarHBondContact O-OG 2.99Å
115F92Very high84.1Confident8 Ų858.3 Ų58.34%0.03533%0.328CS..SBendtrans-88.3-43.6167.9172-104.4000111Y61 V62 W63 K125 Q127 F389Y61-F115 HydrophobicContact CD1-CD1 4.42Å; Y61-F115 AromaticContact CD1-CE1 3.76Å; Y61-F115 HydrophobicContact CD1-CE1 3.76Å; Y61-F115 AromaticContact CD1-CZ 3.93Å; Y61-F115 HydrophobicContact CD1-CZ 3.93Å; Y61-F115 AromaticContact CE1-CE1 3.91Å; Y61-F115 HydrophobicContact CE1-CE1 3.91Å; Y61-F115 HydrophobicContact CE1-CZ 4.36Å; V62-F115 PolarHBondContact N-O 2.83Å; W63-F115 AromaticContact CD1-CD2 4Å; W63-F115 HydrophobicContact CD2-CD2 4.34Å; W63-F115 AromaticContact CD2-CE2 3.95Å; W63-F115 HydrophobicContact CD2-CE2 3.95Å; W63-F115 AromaticContact CE2-CD2 3.88Å; W63-F115 AromaticContact CE2-CE2 3.82Å; W63-F115 HydrophobicContact CE3-CE2 4.41Å; W63-F115 HydrophobicContact CG-CD2 4.41Å; W63-F115 HydrophobicContact CG-CE2 4.26Å; W63-F115 HydrophobicContact CZ2-CD2 4.34Å; W63-F115 HydrophobicContact CZ2-CE2 4.17Å; W63-F115 AromaticContact NE1-CD2 3.66Å; F115-K125 WeakPolarHBondContact CA-O 3.49Å; F115-K125 WeakPolarHBondContact CB-O 3.46Å; F115-K125 HydrophobicContact CD1-CB 4.49Å; F115-K125 HydrophobicContact CD1-CD 4.02Å; F115-K125 HydrophobicContact CD1-CG 4.38Å; F115-K125 PolarHBondContact N-O 3.18Å; F115-Q127 HydrophobicContact CB-CB 4.07Å; F115-Q127 HydrophobicContact CB-CG 3.65Å; F115-Q127 HydrophobicContact CD1-CG 4.37Å; F115-Q127 HydrophobicContact CD2-CG 3.99Å; F115-Q127 VanDerWaalsContact CD2-NE2 3.32Å; F115-Q127 VanDerWaalsContact CE2-NE2 3.34Å; F115-Q127 VanDerWaalsContact CG-CD 3.45Å; F115-Q127 HydrophobicContact CG-CG 3.73Å; F115-F389 HydrophobicContact CZ-CE1 4.06Å
116C93.4Very high84.5Confident6 Ų656.6 Ų56.64%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-134.2133.2-176.8-176.50000109.8Y61 V124 K125Y61-C116 HydrophobicContact CD1-CB 4.18Å; Y61-C116 HydrophobicContact CE1-CB 4.23Å; C116-V124 HydrophobicContact CB-CB 4.44Å; C116-V124 PolarHBondContact O-N 2.96Å; C116-K125 HydrophobicContact CB-CB 4.11Å; C116-K125 PolarHBondContact N-O 3.42Å; C116-K125 VanDerWaalsContact N-O 3.14Å; C116-K125 PolarHBondContact O-N 3.39Å
117L94.2Very high85.3Confident0 Ų056.4 Ų56.40%031%0.309CS..EExtended strand (participates in β ladder)trans-117.6152.9175.5-53.6170.4000108.9K60 V62 F97 F101 A114 K122 A123K60-L117 HydrophobicContact CB-CB 4.23Å; K60-L117 PolarHBondContact N-O 2.92Å; K60-L117 PolarHBondContact O-N 3.28Å; V62-L117 HydrophobicContact CG2-CD1 3.87Å; V62-L117 HydrophobicContact CG2-CG 3.91Å; F97-L117 HydrophobicContact CE1-CD1 3.71Å; F97-L117 HydrophobicContact CZ-CD1 4.08Å; F101-L117 HydrophobicContact CB-CD1 3.97Å; F101-L117 WeakPolarHBondContact O-CD2 3.32Å; A114-L117 HydrophobicContact CB-CD2 3.46Å; A114-L117 VanDerWaalsContact CB-CD2 3.46Å; A114-L117 HydrophobicContact CB-CG 4.26Å; L117-K122 CarbonylContact C-O 3.45Å; L117-K122 VanDerWaalsContact CA-O 3.23Å; L117-K122 WeakPolarHBondContact CA-O 3.39Å; L117-A123 HydrophobicContact CD2-CB 4.07Å
118T95Very high86.4Confident36 Ų3655.1 Ų55.122%0.22129%0.292CS..  trans-65.9167.3163.158.40000110.2D120 G121 K122 V124T118-D120 WeakPolarHBondContact CB-OD1 3.36Å; T118-D120 PolarHBondContact O-N 3.49Å; T118-D120 PolarHBondContact OG1-OD1 3.3Å; T118-G121 PolarHBondContact O-N 2.9Å; T118-K122 HydrophobicContact CG2-CB 4.29Å; T118-K122 PolarHBondContact N-O 3Å; T118-K122 VanDerWaalsContact OG1-CB 3.32Å; T118-K122 WeakPolarHBondContact OG1-CB 3.27Å; T118-K122 PolarHBondContact OG1-N 2.96Å; T118-K122 PolarHBondContact OG1-O 3Å; T118-V124 HydrophobicContact CG2-CG2 3.48Å; T118-V124 VanDerWaalsContact CG2-CG2 3.48Å
119R94.9Very high87.4Confident63 Ų6353.3 Ų53.324%0.23827%0.268CS..THydrogen-bonded Turntrans-51.5-41.5176.1-175.4177.6173.1179.92.8113.2D39 H42 F46 E58 K60 G121D39-R119 IonicContact OD1-CZ 3.11Å; D39-R119 IonicContact OD1-NE 3.39Å; D39-R119 PolarHBondContact OD1-NE 3.44Å; D39-R119 IonicContact OD1-NH2 3.44Å; D39-R119 PolarHBondContact OD1-NH2 2.91Å; D39-R119 VanDerWaalsContact OD1-NH2 3.12Å; D39-R119 WeakPolarHBondContact OD2-CG 3.47Å; D39-R119 IonicContact OD2-NE 2.69Å; D39-R119 PolarHBondContact OD2-NE 3.28Å; D39-R119 VanDerWaalsContact OD2-NE 3.07Å; H42-R119 WeakPolarHBondContact CB-O 3.37Å; F46-R119 HydrophobicContact CE1-CG 4.09Å; F46-R119 HydrophobicContact CZ-CG 4.37Å; E58-R119 HydrophobicContact CB-CB 4.09Å; E58-R119 HydrophobicContact CB-CG 4.46Å; E58-R119 VanDerWaalsContact CD-NH1 3.34Å; E58-R119 IonicContact OE1-CZ 2.92Å; E58-R119 IonicContact OE1-NH1 3.44Å; E58-R119 PolarHBondContact OE1-NH1 2.98Å; E58-R119 WeakPolarHBondContact OE2-CD 3.23Å; E58-R119 IonicContact OE2-CZ 3.26Å; E58-R119 IonicContact OE2-NE 3.4Å; E58-R119 IonicContact OE2-NH1 2.7Å; E58-R119 PolarHBondContact OE2-NH1 3.27Å; E58-R119 VanDerWaalsContact OE2-NH1 3.12Å; K60-R119 PolarHBondContact NZ-O 3.39Å; R119-G121 VanDerWaalsContact C-N 3.28Å; R119-G121 PolarHBondContact O-N 3.2Å
120D93.2Very high88.6Confident54 Ų5445.3 Ų45.329%0.28923%0.225SC..THydrogen-bonded Turntrans-83.35.3179.166.9-40000114.1T118 K122T118-D120 WeakPolarHBondContact CB-OD1 3.36Å; T118-D120 PolarHBondContact O-N 3.49Å; T118-D120 PolarHBondContact OG1-OD1 3.3Å; D120-K122 WeakPolarHBondContact OD2-CE 3.21Å; D120-K122 IonicContact OD2-NZ 3.83Å; D120-K122 PolarHBondContact OD2-NZ 3.26Å
121G91Very high89.4Confident7 Ų744 Ų447%0.07222%0.219CC..SBendtrans90.415.8170.300000116F101 T118 R119F101-G121 WeakPolarHBondContact CB-O 3.34Å; F101-G121 WeakPolarHBondContact CD1-O 3.49Å; T118-G121 PolarHBondContact O-N 2.9Å; R119-G121 VanDerWaalsContact C-N 3.28Å; R119-G121 PolarHBondContact O-N 3.2Å
122K92.2Very high89.8Confident134 Ų13442.1 Ų42.158%0.58321%0.212SC*.  trans-82133.4174.6-61.4171.4176.81340110.2L117 T118 D120 V124L117-K122 CarbonylContact C-O 3.45Å; L117-K122 VanDerWaalsContact CA-O 3.23Å; L117-K122 WeakPolarHBondContact CA-O 3.39Å; T118-K122 HydrophobicContact CG2-CB 4.29Å; T118-K122 PolarHBondContact N-O 3Å; T118-K122 VanDerWaalsContact OG1-CB 3.32Å; T118-K122 WeakPolarHBondContact OG1-CB 3.27Å; T118-K122 PolarHBondContact OG1-N 2.96Å; T118-K122 PolarHBondContact OG1-O 3Å; D120-K122 WeakPolarHBondContact OD2-CE 3.21Å; D120-K122 IonicContact OD2-NZ 3.83Å; D120-K122 PolarHBondContact OD2-NZ 3.26Å; K122-V124 PolarHBondContact O-N 3.43Å
123A91.8Very high90.1Very high57 Ų5741.9 Ų41.947%0.47121%0.211SC..EExtended strand (participates in β ladder)trans-65.8121.7179.300000112.2V104 A114 L117V104-A123 HydrophobicContact CG2-CB 3.92Å; A114-A123 HydrophobicContact CB-CB 4.16Å; L117-A123 HydrophobicContact CD2-CB 4.07Å
124V90.7Very high90.4Very high85 Ų8541.9 Ų41.952%0.51521%0.211SC..EExtended strand (participates in β ladder)trans-98-42.8177.2178.50000110.6L59 C116 T118 K122L59-V124 HydrophobicContact CD2-CG2 4.13Å; C116-V124 HydrophobicContact CB-CB 4.44Å; C116-V124 PolarHBondContact O-N 2.96Å; T118-V124 HydrophobicContact CG2-CG2 3.48Å; T118-V124 VanDerWaalsContact CG2-CG2 3.48Å; K122-V124 PolarHBondContact O-N 3.43Å
125K88.9Confident90.6Very high114 Ų11442 Ų4250%0.49621%0.212SC..EExtended strand (participates in β ladder)trans-143.5132.4-176.3-173.8172.9179.1178.80110.3F115 C116F115-K125 WeakPolarHBondContact CA-O 3.49Å; F115-K125 WeakPolarHBondContact CB-O 3.46Å; F115-K125 HydrophobicContact CD1-CB 4.49Å; F115-K125 HydrophobicContact CD1-CD 4.02Å; F115-K125 HydrophobicContact CD1-CG 4.38Å; F115-K125 PolarHBondContact N-O 3.18Å; C116-K125 HydrophobicContact CB-CB 4.11Å; C116-K125 PolarHBondContact N-O 3.42Å; C116-K125 VanDerWaalsContact N-O 3.14Å; C116-K125 PolarHBondContact O-N 3.39Å
126V86.8Confident90.8Very high66 Ų6641.7 Ų41.740%0.421%0.21SC..  trans-109.2128169.1-178.60000107.9V104V104-V126 HydrophobicContact CB-CG2 4.46Å; V104-V126 HydrophobicContact CG1-CG2 4.32Å; V104-V126 HydrophobicContact CG2-CG2 4.09Å
127Q82.8Confident90.8Very high37 Ų3741.4 Ų41.417%0.17321%0.208CC..  trans-89.2149.2173.6-83.2179.3-14.600110.9K112 F115 T129K112-Q127 PolarHBondContact NZ-O 3.23Å; F115-Q127 HydrophobicContact CB-CB 4.07Å; F115-Q127 HydrophobicContact CB-CG 3.65Å; F115-Q127 HydrophobicContact CD1-CG 4.37Å; F115-Q127 HydrophobicContact CD2-CG 3.99Å; F115-Q127 VanDerWaalsContact CD2-NE2 3.32Å; F115-Q127 VanDerWaalsContact CE2-NE2 3.34Å; F115-Q127 VanDerWaalsContact CG-CD 3.45Å; F115-Q127 HydrophobicContact CG-CG 3.73Å; Q127-T129 WeakPolarHBondContact CB-OG1 3.14Å; Q127-T129 PolarHBondContact O-N 2.78Å; Q127-T129 PolarHBondContact OE1-OG1 3.28Å
128R81.7Confident90.9Very high142 Ų14241.6 Ų41.654%0.53621%0.209SC..SBendtrans-90.143.6174.7-57.7179.8176.8-1760.7110.5L174 G175 R176R128-L174 WeakPolarHBondContact CA-O 3.23Å; R128-L174 VanDerWaalsContact CB-O 3.24Å; R128-L174 WeakPolarHBondContact CB-O 3.48Å; R128-L174 WeakPolarHBondContact CG-O 3.42Å; R128-G175 WeakPolarHBondContact CD-O 3.4Å; R128-G175 PolarHBondContact NE-O 3.5Å; R128-G175 VanDerWaalsContact NE-O 3.11Å; R128-G175 PolarHBondContact NH1-O 3.47Å; R128-G175 VanDerWaalsContact NH1-O 3.08Å; R128-R176 HydrophobicContact CB-CG 3.73Å; R128-R176 VanDerWaalsContact O-CZ 3.28Å; R128-R176 PolarHBondContact O-NE 3.48Å; R128-R176 PolarHBondContact O-NH2 2.81Å
129T84.4Confident90.9Very high24 Ų2439.9 Ų39.915%0.14720%0.198CC..SBendtrans-131.9172.9179.652.20000108.7Q127 F131 R176Q127-T129 WeakPolarHBondContact CB-OG1 3.14Å; Q127-T129 PolarHBondContact O-N 2.78Å; Q127-T129 PolarHBondContact OE1-OG1 3.28Å; T129-F131 HydrophobicContact CG2-CD2 4.03Å; T129-F131 HydrophobicContact CG2-CE2 4.04Å; T129-R176 VanDerWaalsContact CG2-NH2 3.28Å
130I86.4Confident91Very high6 Ų636.9 Ų36.93%0.03119%0.187CC..SBendtrans-96.6-7.417959.3168.1000114.1S132 E133 C134 L163 W166 V167 L174 V190I130-S132 PolarHBondContact O-N 3.23Å; I130-E133 WeakPolarHBondContact CA-OE2 3.43Å; I130-E133 WeakPolarHBondContact O-CB 3.45Å; I130-E133 PolarHBondContact O-N 3.07Å; I130-C134 PolarHBondContact O-N 3.18Å; I130-C134 PolarHBondContact O-SG 3.3Å; I130-L163 HydrophobicContact CB-CD2 3.61Å; I130-L163 HydrophobicContact CG2-CD2 3.74Å; I130-W166 HydrophobicContact CG2-CE3 4.27Å; I130-V167 HydrophobicContact CD1-CG2 3.76Å; I130-V167 HydrophobicContact CG2-CG2 4.38Å; I130-L174 HydrophobicContact CG2-CD1 3.96Å; I130-L174 HydrophobicContact CG2-CD2 3.78Å; I130-V190 HydrophobicContact CD1-CG1 4.02Å
131F89.6Confident91Very high38 Ų3834.3 Ų34.317%0.16717%0.173CC..Hα-helixtrans-66.2-33.9-166.6-60.6-57.9000114.1W63 T129 E133 C134 F135 A189 M193W63-F131 HydrophobicContact CD2-CB 4.32Å; W63-F131 VanDerWaalsContact CE2-CB 3.45Å; W63-F131 HydrophobicContact CH2-CB 4.06Å; W63-F131 AromaticContact CH2-CD2 3.85Å; W63-F131 HydrophobicContact CH2-CD2 3.85Å; W63-F131 HydrophobicContact CH2-CG 4.17Å; W63-F131 HydrophobicContact CZ2-CB 3.32Å; W63-F131 AromaticContact CZ2-CD2 3.61Å; W63-F131 HydrophobicContact CZ2-CD2 3.61Å; W63-F131 AromaticContact CZ2-CG 3.82Å; W63-F131 HydrophobicContact CZ2-CG 3.82Å; T129-F131 HydrophobicContact CG2-CD2 4.03Å; T129-F131 HydrophobicContact CG2-CE2 4.04Å; F131-E133 VanDerWaalsContact C-N 3.28Å; F131-E133 PolarHBondContact O-N 3.49Å; F131-C134 PolarHBondContact O-N 3.1Å; F131-F135 HydrophobicContact CB-CE2 4.35Å; F131-F135 WeakPolarHBondContact O-CD2 3.24Å; F131-F135 PolarHBondContact O-N 2.95Å; F131-F135 VanDerWaalsContact O-N 3.14Å; F131-A189 HydrophobicContact CE1-CB 3.99Å; F131-A189 HydrophobicContact CZ-CB 3.79Å; F131-M193 HydrophobicContact CD1-CG 3.9Å; F131-M193 HydrophobicContact CE1-CG 3.89Å
132S91.9Very high91.2Very high1 Ų134 Ų341%0.00717%0.17CC..Hα-helixtrans-63.7-41.7176.9-71.90000110.8W63 C113 A114 I130 Y136W63-S132 VanDerWaalsContact CD1-CA 3.47Å; W63-S132 PolarHBondContact NE1-OG 3.12Å; W63-S132 VanDerWaalsContact NE1-OG 3.07Å; C113-S132 VanDerWaalsContact CB-CB 3.45Å; A114-S132 WeakPolarHBondContact O-CB 3.3Å; A114-S132 PolarHBondContact O-OG 2.99Å; I130-S132 PolarHBondContact O-N 3.23Å; S132-Y136 WeakPolarHBondContact O-CB 3.49Å; S132-Y136 PolarHBondContact O-N 3.12Å
133E93.1Very high91.3Very high1 Ų127.6 Ų27.61%0.00514%0.142CC..Hα-helixtrans-68.1-37.9177.6-63.384.5175.300111.4K112 C113 I130 F131 Y136 I137 M159 L163 W166K112-E133 WeakPolarHBondContact CE-OE1 3.12Å; C113-E133 HydrophobicContact CB-CG 3.91Å; C113-E133 PolarHBondContact N-OE1 3.31Å; I130-E133 WeakPolarHBondContact CA-OE2 3.43Å; I130-E133 WeakPolarHBondContact O-CB 3.45Å; I130-E133 PolarHBondContact O-N 3.07Å; F131-E133 VanDerWaalsContact C-N 3.28Å; F131-E133 PolarHBondContact O-N 3.49Å; E133-Y136 WeakPolarHBondContact O-CB 3.26Å; E133-Y136 PolarHBondContact O-N 3.07Å; E133-I137 WeakPolarHBondContact O-CG1 3.22Å; E133-I137 PolarHBondContact O-N 3.25Å; E133-M159 HydrophobicContact CB-CG 4.1Å; E133-M159 HydrophobicContact CB-SD 3.74Å; E133-M159 HydrophobicContact CG-CE 4.15Å; E133-M159 HydrophobicContact CG-SD 3.76Å; E133-L163 HydrophobicContact CB-CD1 4.37Å; E133-L163 HydrophobicContact CB-CD2 3.73Å; E133-L163 HydrophobicContact CB-CG 4.28Å; E133-L163 HydrophobicContact CG-CD2 4.48Å; E133-W166 HydrophobicContact CG-CZ3 4.03Å
134C94Very high91.4Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-58.1-52.5172.9-62.90000111.8I130 F131 Y136 I137 M138 M193 L197I130-C134 PolarHBondContact O-N 3.18Å; I130-C134 PolarHBondContact O-SG 3.3Å; F131-C134 PolarHBondContact O-N 3.1Å; C134-Y136 PolarHBondContact O-N 3.42Å; C134-I137 PolarHBondContact O-N 2.77Å; C134-M138 WeakPolarHBondContact O-CG 3.37Å; C134-M138 PolarHBondContact O-N 2.99Å; C134-M193 HydrophobicContact CB-CE 3.66Å; C134-L197 HydrophobicContact CB-CD1 4.01Å; C134-L197 HydrophobicContact CB-CG 4.48Å; C134-L197 WeakPolarHBondContact O-CD2 3.45Å
135F95.1Very high91.4Very high4 Ų423.9 Ų23.92%0.01811%0.108CC..Hα-helixtrans-69.1-24.4-180-62.5-58000112.7W63 G66 R67 F131 M138 A139 M193 F393W63-F135 HydrophobicContact CB-CD2 3.86Å; W63-F135 HydrophobicContact CB-CE2 4.37Å; W63-F135 HydrophobicContact CD2-CD2 4.34Å; W63-F135 HydrophobicContact CD2-CE2 4.22Å; W63-F135 HydrophobicContact CE3-CE2 4.42Å; W63-F135 AromaticContact CG-CD2 3.86Å; W63-F135 HydrophobicContact CG-CD2 3.86Å; W63-F135 HydrophobicContact CG-CE2 4.2Å; G66-F135 WeakPolarHBondContact CA-O 3.18Å; R67-F135 HydrophobicContact CG-CB 4.38Å; R67-F135 HydrophobicContact CG-CD1 3.43Å; R67-F135 VanDerWaalsContact CG-CD1 3.43Å; R67-F135 HydrophobicContact CG-CD2 4.47Å; R67-F135 HydrophobicContact CG-CE1 3.86Å; R67-F135 HydrophobicContact CG-CG 3.83Å; F131-F135 HydrophobicContact CB-CE2 4.35Å; F131-F135 WeakPolarHBondContact O-CD2 3.24Å; F131-F135 PolarHBondContact O-N 2.95Å; F131-F135 VanDerWaalsContact O-N 3.14Å; F135-M138 HydrophobicContact CD1-SD 3.82Å; F135-M138 HydrophobicContact CE1-SD 4.11Å; F135-A139 WeakPolarHBondContact O-CB 3.44Å; F135-A139 PolarHBondContact O-N 3.38Å; F135-A139 VanDerWaalsContact O-N 3.1Å; F135-M193 HydrophobicContact CD1-CE 4.27Å; F135-M193 HydrophobicContact CE1-CE 3.52Å; F135-M193 HydrophobicContact CE1-SD 4.31Å; F135-M193 HydrophobicContact CE2-CE 4.35Å; F135-M193 HydrophobicContact CZ-CE 3.52Å; F135-M193 HydrophobicContact CZ-SD 3.95Å; F135-F393 HydrophobicContact CE1-CE1 4.47Å; F135-F393 HydrophobicContact CE1-CZ 4.32Å
136Y95Very high91.6Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-64.4-50.4169.9-171.6-90.5000112.1L98 R99 A102 R103 W111 S132 E133 C134 M138 A139 M140 E155L98-Y136 HydrophobicContact CB-CD2 4.17Å; L98-Y136 HydrophobicContact CB-CE2 3.86Å; L98-Y136 HydrophobicContact CD2-CD2 4.39Å; R99-Y136 WeakPolarHBondContact CA-OH 3.44Å; A102-Y136 HydrophobicContact CB-CD2 4.13Å; A102-Y136 HydrophobicContact CB-CE2 4.01Å; R103-Y136 PolarHBondContact NE-OH 2.95Å; R103-Y136 PolarHBondContact NH2-OH 3Å; W111-Y136 AromaticContact CH2-CD1 3.96Å; W111-Y136 HydrophobicContact CH2-CD1 3.96Å; W111-Y136 AromaticContact CH2-CE1 3.49Å; W111-Y136 HydrophobicContact CH2-CE1 3.49Å; W111-Y136 VanDerWaalsContact CH2-CE1 3.49Å; W111-Y136 AromaticContact CH2-CZ 3.98Å; W111-Y136 HydrophobicContact CZ3-CD1 4.38Å; W111-Y136 HydrophobicContact CZ3-CE1 4.06Å; S132-Y136 WeakPolarHBondContact O-CB 3.49Å; S132-Y136 PolarHBondContact O-N 3.12Å; E133-Y136 WeakPolarHBondContact O-CB 3.26Å; E133-Y136 PolarHBondContact O-N 3.07Å; C134-Y136 PolarHBondContact O-N 3.42Å; Y136-M138 VanDerWaalsContact C-N 3.31Å; Y136-M138 PolarHBondContact O-N 2.95Å; Y136-A139 WeakPolarHBondContact O-CB 3.23Å; Y136-A139 PolarHBondContact O-N 2.7Å; Y136-M140 HydrophobicContact CD1-CG 3.88Å; Y136-M140 HydrophobicContact CD2-CE 4.32Å; Y136-M140 HydrophobicContact CE1-CE 4.49Å; Y136-M140 HydrophobicContact CE1-CG 3.58Å; Y136-M140 HydrophobicContact CE1-SD 4.45Å; Y136-M140 HydrophobicContact CE2-CE 3.96Å; Y136-M140 WeakPolarHBondContact O-CG 3Å; Y136-M140 PolarHBondContact O-N 3.4Å; Y136-E155 HydrophobicContact CE1-CG 4.42Å; Y136-E155 VanDerWaalsContact CE1-OE1 3.27Å; Y136-E155 WeakPolarHBondContact CE1-OE1 3.18Å; Y136-E155 VanDerWaalsContact CZ-OE1 3.28Å; Y136-E155 PolarHBondContact OH-OE1 3.5Å
137I94.8Very high91.9Very high0 Ų019.5 Ų19.50%09%0.091CC..Hα-helixtrans-57.2-47.3176.7-66164.6000110.1E133 C134 A139 M140 D141 A156 M159 M160 L163 L197 L201E133-I137 WeakPolarHBondContact O-CG1 3.22Å; E133-I137 PolarHBondContact O-N 3.25Å; C134-I137 PolarHBondContact O-N 2.77Å; I137-A139 VanDerWaalsContact C-N 3.3Å; I137-A139 PolarHBondContact O-N 2.94Å; I137-M140 PolarHBondContact O-N 3.2Å; I137-D141 WeakPolarHBondContact O-CB 3.36Å; I137-D141 PolarHBondContact O-N 3.04Å; I137-A156 HydrophobicContact CG2-CB 4.11Å; I137-M159 HydrophobicContact CD1-CB 4.15Å; I137-M159 HydrophobicContact CD1-CG 3.81Å; I137-M159 HydrophobicContact CG1-CB 3.81Å; I137-M159 HydrophobicContact CG1-CG 3.65Å; I137-M160 HydrophobicContact CD1-CB 4.08Å; I137-M160 HydrophobicContact CD1-SD 4.29Å; I137-L163 HydrophobicContact CD1-CD1 3.37Å; I137-L163 HydrophobicContact CD1-CG 4.11Å; I137-L197 HydrophobicContact CB-CD2 3.93Å; I137-L197 HydrophobicContact CD1-CD1 3.94Å; I137-L197 HydrophobicContact CD1-CD2 4.48Å; I137-L197 HydrophobicContact CG2-CD2 3.85Å; I137-L201 HydrophobicContact CG2-CD1 4.25Å; I137-L201 HydrophobicContact CG2-CD2 4.09Å; I137-L201 HydrophobicContact CG2-CG 4.4Å
138M95.7Very high92.2Very high4 Ų420.5 Ų20.52%0.0211%0.111CC..Hα-helixtrans-56.5-45.1178.7-69.8-177.672.700111.8W70 C134 F135 Y136 E142 M193 L197 F393W70-M138 HydrophobicContact CB-CB 4.43Å; W70-M138 HydrophobicContact CD2-CE 4Å; W70-M138 HydrophobicContact CG-CB 4.24Å; W70-M138 HydrophobicContact CG-CE 4.07Å; W70-M138 HydrophobicContact CZ2-CE 4.28Å; C134-M138 WeakPolarHBondContact O-CG 3.37Å; C134-M138 PolarHBondContact O-N 2.99Å; F135-M138 HydrophobicContact CD1-SD 3.82Å; F135-M138 HydrophobicContact CE1-SD 4.11Å; Y136-M138 VanDerWaalsContact C-N 3.31Å; Y136-M138 PolarHBondContact O-N 2.95Å; M138-E142 PolarHBondContact O-N 2.86Å; M138-E142 VanDerWaalsContact O-N 3.13Å; M138-M193 HydrophobicContact SD-CE 4.44Å; M138-L197 HydrophobicContact CG-CD2 3.6Å; M138-F393 HydrophobicContact CE-CE2 4.39Å; M138-F393 HydrophobicContact CE-CZ 4.34Å
139A95.5Very high92.6Very high0 Ų015.9 Ų15.90%010%0.097CC..Hα-helixtrans-63.7-48.1178.200000112.2G66 V69 L98 F135 Y136 I137 L143G66-A139 WeakPolarHBondContact O-CB 3.26Å; V69-A139 HydrophobicContact CB-CB 3.87Å; V69-A139 HydrophobicContact CG1-CB 3.89Å; L98-A139 HydrophobicContact CD1-CB 3.99Å; F135-A139 WeakPolarHBondContact O-CB 3.44Å; F135-A139 PolarHBondContact O-N 3.38Å; F135-A139 VanDerWaalsContact O-N 3.1Å; Y136-A139 WeakPolarHBondContact O-CB 3.23Å; Y136-A139 PolarHBondContact O-N 2.7Å; I137-A139 VanDerWaalsContact C-N 3.3Å; I137-A139 PolarHBondContact O-N 2.94Å; A139-L143 VanDerWaalsContact O-CB 3.24Å; A139-L143 WeakPolarHBondContact O-CB 3.5Å; A139-L143 PolarHBondContact O-N 2.99Å
140M95.4Very high92.8Very high0 Ų023.3 Ų23.30%013%0.127CC..Hα-helixtrans-66.5-38.6-178.4-64.5-53126.200112.1L98 R99 Y136 I137 L143 S144 M152 A156L98-M140 HydrophobicContact CB-CE 3.7Å; L98-M140 HydrophobicContact CD1-CE 4.05Å; R99-M140 HydrophobicContact CG-CE 4Å; R99-M140 HydrophobicContact CG-SD 3.6Å; R99-M140 VanDerWaalsContact CG-SD 3.6Å; Y136-M140 HydrophobicContact CD1-CG 3.88Å; Y136-M140 HydrophobicContact CD2-CE 4.32Å; Y136-M140 HydrophobicContact CE1-CE 4.49Å; Y136-M140 HydrophobicContact CE1-CG 3.58Å; Y136-M140 HydrophobicContact CE1-SD 4.45Å; Y136-M140 HydrophobicContact CE2-CE 3.96Å; Y136-M140 WeakPolarHBondContact O-CG 3Å; Y136-M140 PolarHBondContact O-N 3.4Å; I137-M140 PolarHBondContact O-N 3.2Å; M140-L143 PolarHBondContact O-N 3.34Å; M140-S144 WeakPolarHBondContact O-CB 3.19Å; M140-S144 PolarHBondContact O-N 2.83Å; M140-M152 HydrophobicContact SD-CG 4.44Å; M140-A156 HydrophobicContact CB-CB 4Å
141D94.9Very high93Very high0 Ų029.1 Ų29.10%015%0.154CC..Hα-helixtrans-65.8-45.4176.5179.972.8000112.4I137 S144 R145 Q153 Q200 L201 R205I137-D141 WeakPolarHBondContact O-CB 3.36Å; I137-D141 PolarHBondContact O-N 3.04Å; D141-S144 PolarHBondContact O-OG 2.96Å; D141-R145 WeakPolarHBondContact O-CD 3.32Å; D141-R145 WeakPolarHBondContact O-CG 3.12Å; D141-R145 PolarHBondContact O-N 2.9Å; D141-R145 VanDerWaalsContact O-N 3.17Å; D141-R145 IonicContact OD1-CZ 3.78Å; D141-R145 IonicContact OD1-NE 3.94Å; D141-R145 IonicContact OD1-NH2 3.99Å; D141-R145 IonicContact OD2-CZ 3.89Å; D141-R145 IonicContact OD2-NE 3.78Å; D141-R145 PolarHBondContact OD2-NE 3.45Å; D141-R145 IonicContact OD2-NH2 3.63Å; D141-R145 PolarHBondContact OD2-NH2 3.23Å; D141-Q153 PolarHBondContact OD1-OE1 3.15Å; D141-Q153 VanDerWaalsContact OD1-OE1 3.08Å; D141-Q200 HydrophobicContact CB-CG 4.47Å; D141-Q200 PolarHBondContact OD2-NE2 3.17Å; D141-L201 HydrophobicContact CB-CD2 3.93Å; D141-R205 IonicContact OD1-CZ 3.98Å; D141-R205 IonicContact OD1-NH1 3.66Å; D141-R205 PolarHBondContact OD1-NH1 3.15Å; D141-R205 IonicContact OD1-NH2 3.19Å
142E94.4Very high93Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-68.2-38.5176-81.1-61.5156.900112.3W70 C73 R74 R77 M138 R145 V146 Q200W70-E142 HydrophobicContact CG-CG 4.06Å; C73-E142 HydrophobicContact CB-CB 3.57Å; C73-E142 HydrophobicContact CB-CG 4.41Å; R74-E142 IonicContact CZ-OE1 3.74Å; R74-E142 IonicContact NE-OE1 3.34Å; R74-E142 PolarHBondContact NE-OE1 3.32Å; R74-E142 IonicContact NH1-OE1 3.69Å; R74-E142 IonicContact NH2-OE1 2.69Å; R74-E142 PolarHBondContact NH2-OE1 3.36Å; R77-E142 IonicContact CZ-OE1 2.86Å; R77-E142 IonicContact CZ-OE2 3.9Å; R77-E142 IonicContact NE-OE2 3.62Å; R77-E142 PolarHBondContact NE-OE2 3.05Å; R77-E142 IonicContact NH2-OE1 3.98Å; R77-E142 PolarHBondContact NH2-OE1 3.37Å; R77-E142 IonicContact NH2-OE2 3.73Å; R77-E142 PolarHBondContact NH2-OE2 3.38Å; M138-E142 PolarHBondContact O-N 2.86Å; M138-E142 VanDerWaalsContact O-N 3.13Å; E142-R145 WeakPolarHBondContact O-CB 3.22Å; E142-R145 PolarHBondContact O-N 2.88Å; E142-V146 PolarHBondContact O-N 2.96Å; E142-V146 VanDerWaalsContact O-N 3.17Å; E142-Q200 PolarHBondContact OE1-NE2 2.87Å
143L93.9Very high92.9Very high1 Ų129 Ų291%0.00515%0.154CC..Hα-helixtrans-65.3-41.4178.6-162.564.7000111V69 C73 A91 K92 A139 M140 R145 V146 T147 M152V69-L143 HydrophobicContact CG1-CB 4.48Å; V69-L143 HydrophobicContact CG1-CD1 4.49Å; C73-L143 VanDerWaalsContact SG-CD1 3.56Å; A91-L143 HydrophobicContact CB-CD1 4.19Å; K92-L143 HydrophobicContact CG-CD1 4.24Å; A139-L143 VanDerWaalsContact O-CB 3.24Å; A139-L143 WeakPolarHBondContact O-CB 3.5Å; A139-L143 PolarHBondContact O-N 2.99Å; M140-L143 PolarHBondContact O-N 3.34Å; L143-R145 VanDerWaalsContact C-N 3.28Å; L143-R145 PolarHBondContact O-N 2.97Å; L143-V146 HydrophobicContact CD1-CG2 4.16Å; L143-V146 VanDerWaalsContact O-CG2 3.31Å; L143-V146 WeakPolarHBondContact O-CG2 3.39Å; L143-V146 PolarHBondContact O-N 3.27Å; L143-T147 HydrophobicContact CD1-CG2 4.26Å; L143-T147 HydrophobicContact CG-CG2 4.34Å; L143-T147 WeakPolarHBondContact O-CG2 3.32Å; L143-T147 PolarHBondContact O-N 2.93Å; L143-T147 PolarHBondContact O-OG1 3.33Å; L143-M152 HydrophobicContact CB-SD 4.02Å; L143-M152 HydrophobicContact CD2-CE 3.68Å; L143-M152 HydrophobicContact CD2-SD 3.53Å; L143-M152 VanDerWaalsContact CD2-SD 3.53Å; L143-M152 HydrophobicContact CG-CE 4.36Å; L143-M152 HydrophobicContact CG-SD 3.73Å
144S93.9Very high92.7Very high6 Ų633.4 Ų33.44%0.04218%0.177CC..Hα-helixtrans-60.6-36.7174.580.90000112.2M140 D141 G148 D149 Q153M140-S144 WeakPolarHBondContact O-CB 3.19Å; M140-S144 PolarHBondContact O-N 2.83Å; D141-S144 PolarHBondContact O-OG 2.96Å; S144-G148 WeakPolarHBondContact O-CA 3.43Å; S144-G148 PolarHBondContact O-N 3.42Å; S144-D149 VanDerWaalsContact CB-O 3.23Å; S144-D149 WeakPolarHBondContact CB-O 2.99Å; S144-Q153 PolarHBondContact OG-OE1 3.03Å
145R92Very high92.5Very high58 Ų5834 Ų3422%0.21918%0.18CC..Hα-helixtrans-66.5-38.8178-71.7165.4-174.6-84.94.4112.7D141 E142 L143 Q200 E203D141-R145 WeakPolarHBondContact O-CD 3.32Å; D141-R145 WeakPolarHBondContact O-CG 3.12Å; D141-R145 PolarHBondContact O-N 2.9Å; D141-R145 VanDerWaalsContact O-N 3.17Å; D141-R145 IonicContact OD1-CZ 3.78Å; D141-R145 IonicContact OD1-NE 3.94Å; D141-R145 IonicContact OD1-NH2 3.99Å; D141-R145 IonicContact OD2-CZ 3.89Å; D141-R145 IonicContact OD2-NE 3.78Å; D141-R145 PolarHBondContact OD2-NE 3.45Å; D141-R145 IonicContact OD2-NH2 3.63Å; D141-R145 PolarHBondContact OD2-NH2 3.23Å; E142-R145 WeakPolarHBondContact O-CB 3.22Å; E142-R145 PolarHBondContact O-N 2.88Å; L143-R145 VanDerWaalsContact C-N 3.28Å; L143-R145 PolarHBondContact O-N 2.97Å; R145-Q200 PolarHBondContact NH2-O 3.13Å; R145-E203 VanDerWaalsContact CZ-O 3.27Å; R145-E203 PolarHBondContact NH1-O 3.02Å; R145-E203 PolarHBondContact NH2-O 2.73Å
146V92.9Very high92.3Very high32 Ų3233.8 Ų33.819%0.19418%0.179CC..Hα-helixtrans-85.3-28.5-178.3-59.50000113.2C73 Y76 R77 L88 E142 L143C73-V146 HydrophobicContact CB-CG1 4.09Å; C73-V146 HydrophobicContact CB-CG2 4.28Å; Y76-V146 HydrophobicContact CD1-CB 4.45Å; Y76-V146 HydrophobicContact CD1-CG1 4.21Å; R77-V146 HydrophobicContact CB-CG1 4.33Å; L88-V146 HydrophobicContact CD1-CB 4.16Å; L88-V146 HydrophobicContact CD1-CG2 3.65Å; E142-V146 PolarHBondContact O-N 2.96Å; E142-V146 VanDerWaalsContact O-N 3.17Å; L143-V146 HydrophobicContact CD1-CG2 4.16Å; L143-V146 VanDerWaalsContact O-CG2 3.31Å; L143-V146 WeakPolarHBondContact O-CG2 3.39Å; L143-V146 PolarHBondContact O-N 3.27Å
147T91.8Very high92.1Very high56 Ų5636.6 Ų36.634%0.34419%0.192SC..Hα-helixtrans-98.3-20.2-179.764.40000114K92 L143 D149K92-T147 HydrophobicContact CG-CG2 4.26Å; L143-T147 HydrophobicContact CD1-CG2 4.26Å; L143-T147 HydrophobicContact CG-CG2 4.34Å; L143-T147 WeakPolarHBondContact O-CG2 3.32Å; L143-T147 PolarHBondContact O-N 2.93Å; L143-T147 PolarHBondContact O-OG1 3.33Å; T147-D149 VanDerWaalsContact C-N 3.28Å; T147-D149 VanDerWaalsContact OG1-CB 3.32Å; T147-D149 WeakPolarHBondContact OG1-CB 3.12Å; T147-D149 PolarHBondContact OG1-N 2.84Å
148G88.9Confident91.9Very high57 Ų5741.3 Ų41.359%0.58821%0.214SC*.  trans75.412.8-170.400000114.1S144 K150S144-G148 WeakPolarHBondContact O-CA 3.43Å; S144-G148 PolarHBondContact O-N 3.42Å; G148-K150 PolarHBondContact O-N 3.47Å
149D90.3Very high91.7Very high46 Ų4641.1 Ų41.125%0.24621%0.213CC..  trans-72.3106.6-179.6-172.4-24.2000111.5R99 S144 T147 E151 M152 Q153R99-D149 IonicContact NH1-OD2 3.47Å; S144-D149 VanDerWaalsContact CB-O 3.23Å; S144-D149 WeakPolarHBondContact CB-O 2.99Å; T147-D149 VanDerWaalsContact C-N 3.28Å; T147-D149 VanDerWaalsContact OG1-CB 3.32Å; T147-D149 WeakPolarHBondContact OG1-CB 3.12Å; T147-D149 PolarHBondContact OG1-N 2.84Å; D149-E151 VanDerWaalsContact C-N 3.32Å; D149-E151 PolarHBondContact O-N 2.97Å; D149-E151 WeakPolarHBondContact OD1-CA 3.41Å; D149-E151 WeakPolarHBondContact OD1-CB 3.23Å; D149-E151 PolarHBondContact OD1-N 3.23Å; D149-M152 HydrophobicContact CB-CB 4.32Å; D149-M152 HydrophobicContact CB-CG 4.12Å; D149-M152 HydrophobicContact CB-SD 4.04Å; D149-M152 PolarHBondContact OD1-N 3.11Å; D149-Q153 PolarHBondContact O-N 3.21Å
150K89.3Confident91.5Very high180 Ų18041.1 Ų41.178%0.78321%0.213SC*.Hα-helixtrans-71.5-24.2179.5-65.1-175.6-179.9179.90113.5G148 Q153 L154G148-K150 PolarHBondContact O-N 3.47Å; K150-Q153 PolarHBondContact O-N 2.96Å; K150-L154 PolarHBondContact O-N 2.69Å
151E90.3Very high91.3Very high127 Ų12745.9 Ų45.959%0.59324%0.235SC*.Hα-helixtrans-69.9-43177.8-61.9-171.2168.700110.6R99 D149 Q153 L154 E155R99-E151 IonicContact NH2-OE2 2.82Å; D149-E151 VanDerWaalsContact C-N 3.32Å; D149-E151 PolarHBondContact O-N 2.97Å; D149-E151 WeakPolarHBondContact OD1-CA 3.41Å; D149-E151 WeakPolarHBondContact OD1-CB 3.23Å; D149-E151 PolarHBondContact OD1-N 3.23Å; E151-Q153 PolarHBondContact O-N 3.38Å; E151-L154 PolarHBondContact O-N 3.44Å; E151-E155 VanDerWaalsContact O-CB 3.27Å; E151-E155 WeakPolarHBondContact O-CB 3.36Å; E151-E155 PolarHBondContact O-N 3.25Å
152M90.2Very high91Very high14 Ų1447.1 Ų47.17%0.06924%0.241CC..Hα-helixtrans-60.2-37.5174.7-69.7-178.8-178.300111.7M140 L143 D149 E155 A156M140-M152 HydrophobicContact SD-CG 4.44Å; L143-M152 HydrophobicContact CB-SD 4.02Å; L143-M152 HydrophobicContact CD2-CE 3.68Å; L143-M152 HydrophobicContact CD2-SD 3.53Å; L143-M152 VanDerWaalsContact CD2-SD 3.53Å; L143-M152 HydrophobicContact CG-CE 4.36Å; L143-M152 HydrophobicContact CG-SD 3.73Å; D149-M152 HydrophobicContact CB-CB 4.32Å; D149-M152 HydrophobicContact CB-CG 4.12Å; D149-M152 HydrophobicContact CB-SD 4.04Å; D149-M152 PolarHBondContact OD1-N 3.11Å; M152-E155 PolarHBondContact O-N 2.81Å; M152-A156 WeakPolarHBondContact O-CB 3.46Å; M152-A156 PolarHBondContact O-N 2.94Å
153Q89.1Confident90.8Very high22 Ų2247.1 Ų47.110%0.10324%0.241CC..Hα-helixtrans-64.9-48.8175.5-176563900112.2D141 S144 D149 K150 E151 E155 A156 E157 R205D141-Q153 PolarHBondContact OD1-OE1 3.15Å; D141-Q153 VanDerWaalsContact OD1-OE1 3.08Å; S144-Q153 PolarHBondContact OG-OE1 3.03Å; D149-Q153 PolarHBondContact O-N 3.21Å; K150-Q153 PolarHBondContact O-N 2.96Å; E151-Q153 PolarHBondContact O-N 3.38Å; Q153-E155 PolarHBondContact O-N 2.91Å; Q153-A156 WeakPolarHBondContact O-CB 3.42Å; Q153-A156 PolarHBondContact O-N 2.92Å; Q153-E157 PolarHBondContact NE2-OE1 3.43Å; Q153-E157 PolarHBondContact O-N 3.44Å; Q153-E157 VanDerWaalsContact O-N 3.07Å; Q153-R205 VanDerWaalsContact OE1-CZ 3.3Å
154L89.8Confident90.5Very high95 Ų9548.5 Ų48.550%0.49725%0.248SC..Hα-helixtrans-59.2-40.3178.1178.763.7000111.3K150 E151 E157 Q158K150-L154 PolarHBondContact O-N 2.69Å; E151-L154 PolarHBondContact O-N 3.44Å; L154-E157 PolarHBondContact O-N 3.08Å; L154-Q158 VanDerWaalsContact O-CG 3.31Å; L154-Q158 WeakPolarHBondContact O-CG 3.31Å; L154-Q158 PolarHBondContact O-N 2.9Å
155E89.4Confident90.3Very high12 Ų1252.1 Ų52.16%0.05626%0.261CS..Hα-helixtrans-65.7-40.4179-168.6-175.2120.200112.7R99 R103 W111 Y136 E151 M152 Q153 E157 Q158 M159R99-E155 IonicContact CZ-OE2 2.81Å; R99-E155 IonicContact NE-OE1 3.41Å; R99-E155 IonicContact NE-OE2 2.84Å; R99-E155 PolarHBondContact NE-OE2 3.37Å; R99-E155 IonicContact NH2-OE2 2.63Å; R99-E155 PolarHBondContact NH2-OE2 2.92Å; R103-E155 IonicContact CZ-OE1 3.62Å; R103-E155 IonicContact CZ-OE2 3.07Å; R103-E155 IonicContact NE-OE1 3.76Å; R103-E155 IonicContact NH2-OE1 3.71Å; R103-E155 PolarHBondContact NH2-OE1 2.84Å; R103-E155 IonicContact NH2-OE2 3.57Å; R103-E155 PolarHBondContact NH2-OE2 3.47Å; W111-E155 HydrophobicContact CZ2-CG 4.46Å; Y136-E155 HydrophobicContact CE1-CG 4.42Å; Y136-E155 VanDerWaalsContact CE1-OE1 3.27Å; Y136-E155 WeakPolarHBondContact CE1-OE1 3.18Å; Y136-E155 VanDerWaalsContact CZ-OE1 3.28Å; Y136-E155 PolarHBondContact OH-OE1 3.5Å; E151-E155 VanDerWaalsContact O-CB 3.27Å; E151-E155 WeakPolarHBondContact O-CB 3.36Å; E151-E155 PolarHBondContact O-N 3.25Å; M152-E155 PolarHBondContact O-N 2.81Å; Q153-E155 PolarHBondContact O-N 2.91Å; E155-E157 VanDerWaalsContact C-N 3.33Å; E155-Q158 PolarHBondContact O-N 3.45Å; E155-M159 PolarHBondContact O-N 2.85Å
156A91.1Very high90Very high0 Ų049.5 Ų49.50%025%0.252CS..Hα-helixtrans-61.3-42.1172.800000111.4I137 M140 M152 Q153 M160I137-A156 HydrophobicContact CG2-CB 4.11Å; M140-A156 HydrophobicContact CB-CB 4Å; M152-A156 WeakPolarHBondContact O-CB 3.46Å; M152-A156 PolarHBondContact O-N 2.94Å; Q153-A156 WeakPolarHBondContact O-CB 3.42Å; Q153-A156 PolarHBondContact O-N 2.92Å; A156-M160 WeakPolarHBondContact O-CB 3.46Å; A156-M160 PolarHBondContact O-N 3.46Å
157E90.4Very high89.7Confident58 Ų5849.9 Ų49.927%0.27125%0.254SS..Hα-helixtrans-68.6-40.9178.4-71.8173.6-162.200112.8Q153 L154 E155 M160 E161Q153-E157 PolarHBondContact NE2-OE1 3.43Å; Q153-E157 PolarHBondContact O-N 3.44Å; Q153-E157 VanDerWaalsContact O-N 3.07Å; L154-E157 PolarHBondContact O-N 3.08Å; E155-E157 VanDerWaalsContact C-N 3.33Å; E157-M160 WeakPolarHBondContact O-CB 3.03Å; E157-M160 PolarHBondContact O-N 3.23Å; E157-E161 WeakPolarHBondContact O-CG 3.39Å; E157-E161 PolarHBondContact O-N 3.32Å
158Q90.9Very high89.2Confident99 Ų9952.6 Ų52.646%0.46326%0.258SS..Hα-helixtrans-61.5-44.2175-75.3174-7.300111.7L154 E155 M160 E161 Q162L154-Q158 VanDerWaalsContact O-CG 3.31Å; L154-Q158 WeakPolarHBondContact O-CG 3.31Å; L154-Q158 PolarHBondContact O-N 2.9Å; E155-Q158 PolarHBondContact O-N 3.45Å; Q158-M160 VanDerWaalsContact C-N 3.33Å; Q158-E161 PolarHBondContact O-N 3.41Å; Q158-Q162 PolarHBondContact O-N 3.06Å; Q158-Q162 VanDerWaalsContact O-N 3.11Å
159M90.9Very high88.9Confident0 Ų056.8 Ų56.80%026%0.262CS..Hα-helixtrans-67.7-35.3176.4-178.248.472.100111.5W111 E133 I137 E155 E161 Q162 L163 W166W111-M159 HydrophobicContact CD2-CE 3.56Å; W111-M159 HydrophobicContact CE3-CE 3.36Å; W111-M159 HydrophobicContact CH2-CB 4.21Å; W111-M159 HydrophobicContact CH2-CE 3.18Å; W111-M159 HydrophobicContact CH2-CG 4.3Å; W111-M159 HydrophobicContact CZ2-CB 4.24Å; W111-M159 HydrophobicContact CZ2-CE 3.37Å; W111-M159 HydrophobicContact CZ3-CE 3.18Å; E133-M159 HydrophobicContact CB-CG 4.1Å; E133-M159 HydrophobicContact CB-SD 3.74Å; E133-M159 HydrophobicContact CG-CE 4.15Å; E133-M159 HydrophobicContact CG-SD 3.76Å; I137-M159 HydrophobicContact CD1-CB 4.15Å; I137-M159 HydrophobicContact CD1-CG 3.81Å; I137-M159 HydrophobicContact CG1-CB 3.81Å; I137-M159 HydrophobicContact CG1-CG 3.65Å; E155-M159 PolarHBondContact O-N 2.85Å; M159-E161 PolarHBondContact O-N 3.36Å; M159-Q162 PolarHBondContact O-N 2.87Å; M159-Q162 HydrophobicContact SD-CB 4.37Å; M159-L163 WeakPolarHBondContact O-CG 3.42Å; M159-L163 PolarHBondContact O-N 2.84Å; M159-L163 HydrophobicContact SD-CG 4.4Å; M159-W166 HydrophobicContact SD-CZ3 4.3Å
160M92.4Very high88.3Confident0 Ų057.4 Ų57.40%027%0.266CS..Hα-helixtrans-61-43.9173.8-175.765.4-178.800112I137 A156 E157 Q158 Q162 L163 I164 L194 L197 V198 L201 Y212 L215I137-M160 HydrophobicContact CD1-CB 4.08Å; I137-M160 HydrophobicContact CD1-SD 4.29Å; A156-M160 WeakPolarHBondContact O-CB 3.46Å; A156-M160 PolarHBondContact O-N 3.46Å; E157-M160 WeakPolarHBondContact O-CB 3.03Å; E157-M160 PolarHBondContact O-N 3.23Å; Q158-M160 VanDerWaalsContact C-N 3.33Å; M160-Q162 VanDerWaalsContact C-N 3.32Å; M160-Q162 PolarHBondContact O-N 2.81Å; M160-L163 WeakPolarHBondContact O-CB 3.44Å; M160-L163 PolarHBondContact O-N 3.42Å; M160-I164 HydrophobicContact CE-CD1 4.12Å; M160-I164 HydrophobicContact CE-CG1 4.25Å; M160-I164 HydrophobicContact CG-CD1 4.12Å; M160-I164 VanDerWaalsContact O-CG1 3.25Å; M160-I164 WeakPolarHBondContact O-CG1 3.32Å; M160-I164 PolarHBondContact O-N 3.37Å; M160-L194 HydrophobicContact CE-CD2 4.44Å; M160-L197 HydrophobicContact CE-CB 4.08Å; M160-L197 HydrophobicContact SD-CB 3.91Å; M160-L197 HydrophobicContact SD-CD1 3.85Å; M160-V198 HydrophobicContact CE-CG2 4Å; M160-L201 HydrophobicContact CB-CD1 3.99Å; M160-L201 HydrophobicContact CG-CD1 3.66Å; M160-L201 HydrophobicContact SD-CD1 4Å; M160-Y212 HydrophobicContact CE-CD1 4.33Å; M160-Y212 HydrophobicContact CE-CE1 4.31Å; M160-Y212 HydrophobicContact CG-CE1 3.83Å; M160-L215 HydrophobicContact CE-CD2 3.45Å; M160-L215 VanDerWaalsContact CE-CD2 3.45Å
161E90.3Very high87.7Confident100 Ų10051.3 Ų51.347%0.46725%0.249SC..Hα-helixtrans-62.7-40.8176.5-72.4174.4-175.100111.7E157 Q158 M159 I164 Y165 K211E157-E161 WeakPolarHBondContact O-CG 3.39Å; E157-E161 PolarHBondContact O-N 3.32Å; Q158-E161 PolarHBondContact O-N 3.41Å; M159-E161 PolarHBondContact O-N 3.36Å; E161-I164 PolarHBondContact O-N 3.41Å; E161-Y165 PolarHBondContact O-N 2.84Å; E161-K211 IonicContact OE1-NZ 3.16Å; E161-K211 PolarHBondContact OE1-NZ 3.37Å
162Q89.2Confident86.9Confident27 Ų2748.8 Ų48.813%0.12625%0.245CC..Hα-helixtrans-65.3-38.4175.3-168.5172.6-30.500112.4W111 Q158 M159 M160 Y165 W166W111-Q162 PolarHBondContact O-NE2 3.38Å; Q158-Q162 PolarHBondContact O-N 3.06Å; Q158-Q162 VanDerWaalsContact O-N 3.11Å; M159-Q162 PolarHBondContact O-N 2.87Å; M159-Q162 HydrophobicContact SD-CB 4.37Å; M160-Q162 VanDerWaalsContact C-N 3.32Å; M160-Q162 PolarHBondContact O-N 2.81Å; Q162-Y165 PolarHBondContact O-N 2.97Å; Q162-W166 HydrophobicContact CG-CD2 4.17Å; Q162-W166 HydrophobicContact CG-CE3 4.37Å; Q162-W166 HydrophobicContact CG-CH2 3.98Å; Q162-W166 HydrophobicContact CG-CZ2 3.81Å; Q162-W166 HydrophobicContact CG-CZ3 4.25Å; Q162-W166 PolarHBondContact O-N 3.46Å
163L89.7Confident85.8Confident0 Ų049 Ų490%025%0.251CS..Hα-helixtrans-63.1-44.6173.4-77.9-169.8000112.3I130 E133 I137 M159 M160 Y165 W166 V167 L197I130-L163 HydrophobicContact CB-CD2 3.61Å; I130-L163 HydrophobicContact CG2-CD2 3.74Å; E133-L163 HydrophobicContact CB-CD1 4.37Å; E133-L163 HydrophobicContact CB-CD2 3.73Å; E133-L163 HydrophobicContact CB-CG 4.28Å; E133-L163 HydrophobicContact CG-CD2 4.48Å; I137-L163 HydrophobicContact CD1-CD1 3.37Å; I137-L163 HydrophobicContact CD1-CG 4.11Å; M159-L163 WeakPolarHBondContact O-CG 3.42Å; M159-L163 PolarHBondContact O-N 2.84Å; M159-L163 HydrophobicContact SD-CG 4.4Å; M160-L163 WeakPolarHBondContact O-CB 3.44Å; M160-L163 PolarHBondContact O-N 3.42Å; L163-Y165 VanDerWaalsContact C-N 3.3Å; L163-Y165 PolarHBondContact O-N 2.89Å; L163-W166 HydrophobicContact CD2-CE3 3.68Å; L163-W166 HydrophobicContact CD2-CZ3 3.88Å; L163-W166 PolarHBondContact O-N 3.42Å; L163-V167 WeakPolarHBondContact O-CG2 3.09Å; L163-V167 PolarHBondContact O-N 3.28Å; L163-L197 HydrophobicContact CD1-CD1 3.64Å
164I88.7Confident85.2Confident30 Ų3049 Ų4915%0.15425%0.251CS..Hα-helixtrans-60.1-45.2178.1-67.1162.8000109.8M160 E161 W166 V167 R168 Y212 L215M160-I164 HydrophobicContact CE-CD1 4.12Å; M160-I164 HydrophobicContact CE-CG1 4.25Å; M160-I164 HydrophobicContact CG-CD1 4.12Å; M160-I164 VanDerWaalsContact O-CG1 3.25Å; M160-I164 WeakPolarHBondContact O-CG1 3.32Å; M160-I164 PolarHBondContact O-N 3.37Å; E161-I164 PolarHBondContact O-N 3.41Å; I164-W166 PolarHBondContact O-N 2.9Å; I164-V167 PolarHBondContact O-N 3.48Å; I164-R168 HydrophobicContact CG2-CG 4.39Å; I164-R168 WeakPolarHBondContact O-CB 3.45Å; I164-R168 PolarHBondContact O-N 3.47Å; I164-Y212 HydrophobicContact CD1-CD1 4.31Å; I164-Y212 HydrophobicContact CD1-CE1 3.95Å; I164-L215 HydrophobicContact CD1-CD2 3.63Å; I164-L215 HydrophobicContact CG1-CD1 4.49Å; I164-L215 HydrophobicContact CG1-CD2 3.66Å
165Y88Confident84Confident81 Ų8146 Ų4632%0.31824%0.244SC..Hα-helixtrans-58.6-47175.7179.3-99.2000111.7E161 Q162 L163 V167 E169 D170E161-Y165 PolarHBondContact O-N 2.84Å; Q162-Y165 PolarHBondContact O-N 2.97Å; L163-Y165 VanDerWaalsContact C-N 3.3Å; L163-Y165 PolarHBondContact O-N 2.89Å; Y165-V167 VanDerWaalsContact C-N 3.29Å; Y165-V167 PolarHBondContact O-N 3.13Å; Y165-E169 HydrophobicContact CD2-CB 3.71Å; Y165-E169 VanDerWaalsContact CD2-CD 3.48Å; Y165-E169 HydrophobicContact CD2-CG 4.09Å; Y165-E169 VanDerWaalsContact CD2-OE2 3.26Å; Y165-E169 WeakPolarHBondContact CD2-OE2 3.39Å; Y165-E169 HydrophobicContact CE2-CB 3.73Å; Y165-E169 HydrophobicContact CE2-CG 4.38Å; Y165-E169 WeakPolarHBondContact CE2-OE2 3.36Å; Y165-E169 HydrophobicContact CG-CB 4.41Å; Y165-E169 WeakPolarHBondContact O-CA 3.26Å; Y165-E169 WeakPolarHBondContact O-CB 3.36Å; Y165-E169 PolarHBondContact O-N 3.38Å; Y165-D170 HydrophobicContact CE1-CB 3.86Å; Y165-D170 PolarHBondContact O-N 2.76Å
166W86.8Confident83Confident3 Ų352.5 Ų52.51%0.01127%0.268CS..Hα-helixtrans-65.3-30179.7-71.3-27.7000114.7K112 I130 E133 M159 Q162 L163 I164 D170 A171 L174K112-W166 HydrophobicContact CD-CH2 4.45Å; K112-W166 HydrophobicContact CG-CH2 3.8Å; K112-W166 HydrophobicContact CG-CZ2 4.02Å; I130-W166 HydrophobicContact CG2-CE3 4.27Å; E133-W166 HydrophobicContact CG-CZ3 4.03Å; M159-W166 HydrophobicContact SD-CZ3 4.3Å; Q162-W166 HydrophobicContact CG-CD2 4.17Å; Q162-W166 HydrophobicContact CG-CE3 4.37Å; Q162-W166 HydrophobicContact CG-CH2 3.98Å; Q162-W166 HydrophobicContact CG-CZ2 3.81Å; Q162-W166 HydrophobicContact CG-CZ3 4.25Å; Q162-W166 PolarHBondContact O-N 3.46Å; L163-W166 HydrophobicContact CD2-CE3 3.68Å; L163-W166 HydrophobicContact CD2-CZ3 3.88Å; L163-W166 PolarHBondContact O-N 3.42Å; I164-W166 PolarHBondContact O-N 2.9Å; W166-D170 WeakPolarHBondContact CA-O 3.5Å; W166-A171 WeakPolarHBondContact O-CA 3.42Å; W166-A171 PolarHBondContact O-N 3.22Å; W166-L174 HydrophobicContact CB-CD2 4.44Å; W166-L174 HydrophobicContact CB-CG 4.35Å; W166-L174 HydrophobicContact CD2-CD2 3.89Å; W166-L174 HydrophobicContact CD2-CG 4.49Å; W166-L174 HydrophobicContact CE3-CD2 3.77Å; W166-L174 HydrophobicContact CG-CD2 4.24Å; W166-L174 HydrophobicContact CG-CG 4.35Å; W166-L174 HydrophobicContact CZ3-CD2 4.25Å
167V85.5Confident82Confident41 Ų4156.7 Ų56.725%0.24830%0.295CS..Hα-helixtrans-86.8-40.5-178.9174.50000111.9I130 L163 I164 Y165 V190 L194 W218I130-V167 HydrophobicContact CD1-CG2 3.76Å; I130-V167 HydrophobicContact CG2-CG2 4.38Å; L163-V167 WeakPolarHBondContact O-CG2 3.09Å; L163-V167 PolarHBondContact O-N 3.28Å; I164-V167 PolarHBondContact O-N 3.48Å; Y165-V167 VanDerWaalsContact C-N 3.29Å; Y165-V167 PolarHBondContact O-N 3.13Å; V167-V190 HydrophobicContact CB-CG1 4.46Å; V167-V190 HydrophobicContact CG1-CG1 3.67Å; V167-V190 HydrophobicContact CG2-CG1 3.88Å; V167-L194 HydrophobicContact CB-CD1 4.06Å; V167-L194 HydrophobicContact CG1-CD1 3.72Å; V167-L194 HydrophobicContact CG2-CD1 4.06Å; V167-W218 HydrophobicContact CG1-CH2 3.76Å; V167-W218 HydrophobicContact CG1-CZ3 4.28Å
168R82.6Confident80.9Confident112 Ų11260.4 Ų60.442%0.42331%0.312SS..Hα-helixtrans-95.3-30.8-172.9-65.5-176.472.7178.44114.1I164 E214I164-R168 HydrophobicContact CG2-CG 4.39Å; I164-R168 WeakPolarHBondContact O-CB 3.45Å; I164-R168 PolarHBondContact O-N 3.47Å; R168-E214 IonicContact CZ-OE1 2.96Å; R168-E214 IonicContact NH1-OE1 3.02Å; R168-E214 PolarHBondContact NH1-OE1 2.99Å; R168-E214 IonicContact NH2-OE1 3.16Å; R168-E214 PolarHBondContact NH2-OE1 2.91Å; R168-E214 VanDerWaalsContact NH2-OE1 3.16Å
169E81.4Confident80.4Confident146 Ų14661.2 Ų61.268%0.68232%0.319SS*.THydrogen-bonded Turntrans-114.7-57.3-168.7-62.3-177.2-140.800112.1Y165Y165-E169 HydrophobicContact CD2-CB 3.71Å; Y165-E169 VanDerWaalsContact CD2-CD 3.48Å; Y165-E169 HydrophobicContact CD2-CG 4.09Å; Y165-E169 VanDerWaalsContact CD2-OE2 3.26Å; Y165-E169 WeakPolarHBondContact CD2-OE2 3.39Å; Y165-E169 HydrophobicContact CE2-CB 3.73Å; Y165-E169 HydrophobicContact CE2-CG 4.38Å; Y165-E169 WeakPolarHBondContact CE2-OE2 3.36Å; Y165-E169 HydrophobicContact CG-CB 4.41Å; Y165-E169 WeakPolarHBondContact O-CA 3.26Å; Y165-E169 WeakPolarHBondContact O-CB 3.36Å; Y165-E169 PolarHBondContact O-N 3.38Å
170D77.8Confident79.8Confident59 Ų5968.1 Ų68.132%0.31636%0.364SS..  trans-149.8108-173.4-174.214.3000114.3Y165 W166 S172Y165-D170 HydrophobicContact CE1-CB 3.86Å; Y165-D170 PolarHBondContact O-N 2.76Å; W166-D170 WeakPolarHBondContact CA-O 3.5Å; D170-S172 PolarHBondContact O-N 3.43Å; D170-S172 WeakPolarHBondContact OD1-CB 3.33Å; D170-S172 PolarHBondContact OD1-N 3.45Å; D170-S172 PolarHBondContact OD1-OG 3.49Å; D170-S172 VanDerWaalsContact OD1-OG 3.12Å; D170-S172 WeakPolarHBondContact OD2-CB 3.34Å; D170-S172 PolarHBondContact OD2-OG 3.41Å
171A78.1Confident79.1Confident51 Ų5171.5 Ų71.542%0.42140%0.399SS..G310 helixtrans-77.2-2.217500000113.9W166 G173 L174W166-A171 WeakPolarHBondContact O-CA 3.42Å; W166-A171 PolarHBondContact O-N 3.22Å; A171-G173 PolarHBondContact O-N 3.21Å; A171-L174 HydrophobicContact CB-CD1 4.33Å; A171-L174 VanDerWaalsContact O-CB 3.26Å; A171-L174 WeakPolarHBondContact O-CB 3.28Å; A171-L174 PolarHBondContact O-N 3.11Å
172S72.4Confident78.3Confident75 Ų7570.7 Ų70.752%0.52440%0.398SS..G310 helixtrans-58.1-35-178.677.60000112.4D170 L174 G175D170-S172 PolarHBondContact O-N 3.43Å; D170-S172 WeakPolarHBondContact OD1-CB 3.33Å; D170-S172 PolarHBondContact OD1-N 3.45Å; D170-S172 PolarHBondContact OD1-OG 3.49Å; D170-S172 VanDerWaalsContact OD1-OG 3.12Å; D170-S172 WeakPolarHBondContact OD2-CB 3.34Å; D170-S172 PolarHBondContact OD2-OG 3.41Å; S172-L174 PolarHBondContact O-N 2.81Å; S172-L174 VanDerWaalsContact O-N 3.15Å; S172-G175 WeakPolarHBondContact O-CA 3.32Å; S172-G175 PolarHBondContact O-N 3Å
173G68.1Low77.6Confident18 Ų1873.7 Ų73.719%0.18642%0.418CS..G310 helixtrans-61.8-19.3174.500000113.6K112 A171 G175K112-G173 WeakPolarHBondContact CD-O 2.99Å; A171-G173 PolarHBondContact O-N 3.21Å; G173-G175 VanDerWaalsContact C-N 3.28Å
174L74.8Confident77.1Confident21 Ų2177.3 Ų77.311%0.1144%0.441CS..G310 helixtrans-78.1-13.8172.2-57.8176.8000113K112 R128 I130 W166 A171 S172K112-L174 PolarHBondContact NZ-O 2.89Å; R128-L174 WeakPolarHBondContact CA-O 3.23Å; R128-L174 VanDerWaalsContact CB-O 3.24Å; R128-L174 WeakPolarHBondContact CB-O 3.48Å; R128-L174 WeakPolarHBondContact CG-O 3.42Å; I130-L174 HydrophobicContact CG2-CD1 3.96Å; I130-L174 HydrophobicContact CG2-CD2 3.78Å; W166-L174 HydrophobicContact CB-CD2 4.44Å; W166-L174 HydrophobicContact CB-CG 4.35Å; W166-L174 HydrophobicContact CD2-CD2 3.89Å; W166-L174 HydrophobicContact CD2-CG 4.49Å; W166-L174 HydrophobicContact CE3-CD2 3.77Å; W166-L174 HydrophobicContact CG-CD2 4.24Å; W166-L174 HydrophobicContact CG-CG 4.35Å; W166-L174 HydrophobicContact CZ3-CD2 4.25Å; A171-L174 HydrophobicContact CB-CD1 4.33Å; A171-L174 VanDerWaalsContact O-CB 3.26Å; A171-L174 WeakPolarHBondContact O-CB 3.28Å; A171-L174 PolarHBondContact O-N 3.11Å; S172-L174 PolarHBondContact O-N 2.81Å; S172-L174 VanDerWaalsContact O-N 3.15Å
175G65.7Low76.8Confident34 Ų3478.6 Ų78.635%0.35145%0.451SS..THydrogen-bonded Turntrans802617700000114.1R128 S172 G173 P177R128-G175 WeakPolarHBondContact CD-O 3.4Å; R128-G175 PolarHBondContact NE-O 3.5Å; R128-G175 VanDerWaalsContact NE-O 3.11Å; R128-G175 PolarHBondContact NH1-O 3.47Å; R128-G175 VanDerWaalsContact NH1-O 3.08Å; S172-G175 WeakPolarHBondContact O-CA 3.32Å; S172-G175 PolarHBondContact O-N 3Å; G173-G175 VanDerWaalsContact C-N 3.28Å; G175-P177 WeakPolarHBondContact O-CD 3.4Å
176R68.3Low76.6Confident147 Ų14775.9 Ų75.956%0.55544%0.442SS*.  trans-97.695.8172.7-64.3-167.2-174.7-165.11.8110R128 T129 Q178R128-R176 HydrophobicContact CB-CG 3.73Å; R128-R176 VanDerWaalsContact O-CZ 3.28Å; R128-R176 PolarHBondContact O-NE 3.48Å; R128-R176 PolarHBondContact O-NH2 2.81Å; T129-R176 VanDerWaalsContact CG2-NH2 3.28Å; R176-Q178 PolarHBondContact O-N 2.75Å
177P70Confident76.6Confident88 Ų8877.6 Ų77.657%0.57145%0.454SS*.PPolyproline II helixtrans-64.7125.6168.426.9-31.7000108.4G175 L179G175-P177 WeakPolarHBondContact O-CD 3.4Å; P177-L179 PolarHBondContact O-N 2.85Å
178Q67.6Low76.8Confident136 Ų13675.6 Ų75.664%0.63644%0.442SS*.PPolyproline II helixtrans-65.3120.7177.2-167.217413.300109R176 D182R176-Q178 PolarHBondContact O-N 2.75Å; Q178-D182 HydrophobicContact CG-CB 4.17Å; Q178-D182 PolarHBondContact NE2-O 2.9Å
179L79.1Confident77Confident116 Ų11670.8 Ų70.861%0.60743%0.426SS*.PPolyproline II helixtrans-83.2154.5175.8-62.3177.5000109.7P177 G181 D182P177-L179 PolarHBondContact O-N 2.85Å; L179-G181 PolarHBondContact O-N 3.1Å; L179-D182 HydrophobicContact CB-CB 4.23Å; L179-D182 VanDerWaalsContact O-CB 3.29Å; L179-D182 WeakPolarHBondContact O-CB 3.45Å; L179-D182 PolarHBondContact O-N 3Å
180P78.6Confident77.4Confident145 Ų14565.4 Ų65.494%0.94240%0.403SS*.THydrogen-bonded Turntrans-58.8-22.4-176.5-25.934.4000115.3
181G77.9Confident78Confident71 Ų7162.6 Ų62.673%0.73239%0.388SS*.THydrogen-bonded Turntrans-101.94175.800000114.4L179 V183L179-G181 PolarHBondContact O-N 3.1Å; G181-V183 PolarHBondContact O-N 3.38Å
182D73.8Confident78.7Confident84 Ų8460.4 Ų60.445%0.44937%0.369SS..  trans-81.6101.9-179.2-160.412.2000109.3Q178 L179Q178-D182 HydrophobicContact CG-CB 4.17Å; Q178-D182 PolarHBondContact NE2-O 2.9Å; L179-D182 HydrophobicContact CB-CB 4.23Å; L179-D182 VanDerWaalsContact O-CB 3.29Å; L179-D182 WeakPolarHBondContact O-CB 3.45Å; L179-D182 PolarHBondContact O-N 3Å
183V75.4Confident79.7Confident90 Ų9057.8 Ų57.855%0.54535%0.349SS..  trans-78.2127.2177.3-178.30000107.9G181 T185G181-V183 PolarHBondContact O-N 3.38Å; V183-T185 WeakPolarHBondContact O-CG2 3.39Å; V183-T185 PolarHBondContact O-N 3.1Å
184P78.6Confident80.8Confident75 Ų7556.9 Ų56.949%0.48734%0.34SS..  trans-57.9115175.5-25.434.8000111.6A240P184-A240 HydrophobicContact CB-CB 4.16Å; P184-A240 PolarHBondContact O-N 3.34Å
185T82.4Confident81.7Confident58 Ų5855.9 Ų55.936%0.35634%0.335SS..EExtended strand (participates in β ladder)trans-117.6140.2177.163.50000110.4V183 V238 L245 L249V183-T185 WeakPolarHBondContact O-CG2 3.39Å; V183-T185 PolarHBondContact O-N 3.1Å; T185-V238 CarbonylContact C-O 3.54Å; T185-V238 WeakPolarHBondContact CA-O 3.48Å; T185-L245 HydrophobicContact CG2-CD1 3.38Å; T185-L249 HydrophobicContact CG2-CD2 3.82Å
186N83.3Confident83.1Confident24 Ų2454.9 Ų54.913%0.12832%0.322CS..EExtended strand (participates in β ladder)trans-95128.1167.8-165.9-2.1000109.7E222 H226 N237 V238N186-E222 PolarHBondContact ND2-OE2 3.01Å; N186-H226 PolarHBondContact O-CE1 3.42Å; N186-N237 VanDerWaalsContact O-CA 3.3Å; N186-N237 WeakPolarHBondContact O-CA 3.31Å; N186-V238 HydrophobicContact CB-CG2 4.05Å; N186-V238 PolarHBondContact N-O 3.22Å; N186-V238 PolarHBondContact O-N 3.35Å
187S87.5Confident84.3Confident38 Ų3847.9 Ų47.927%0.26630%0.296SS..EExtended strand (participates in β ladder)trans-106130.8177.6175.70000109.3A189 V190 P191 E236S187-A189 PolarHBondContact O-N 2.97Å; S187-V190 PolarHBondContact O-N 3.5Å; S187-P191 VanDerWaalsContact O-CD 3.26Å; S187-P191 WeakPolarHBondContact O-CD 3.3Å; S187-E236 WeakPolarHBondContact CA-O 3.39Å
188M88.8Confident85.4Confident0 Ų044 Ų440%027%0.271CS..THydrogen-bonded Turntrans-56.3-31-173.3-164.8174.461.300113.1V190 P191 M192 H226 I234 E236 H259 A263 F287M188-V190 PolarHBondContact O-N 2.98Å; M188-P191 WeakPolarHBondContact O-CD 3.26Å; M188-P191 WeakPolarHBondContact O-CG 3.3Å; M188-M192 HydrophobicContact CB-SD 4.36Å; M188-M192 HydrophobicContact CE-SD 3.77Å; M188-M192 HydrophobicContact CG-CG 4.08Å; M188-M192 HydrophobicContact CG-SD 3.74Å; M188-M192 WeakPolarHBondContact O-CB 3.21Å; M188-M192 WeakPolarHBondContact O-CG 3.42Å; M188-M192 PolarHBondContact O-N 3.39Å; M188-M192 VanDerWaalsContact O-N 3.09Å; M188-M192 HydrophobicContact SD-SD 4.3Å; M188-H226 VanDerWaalsContact CA-CE1 3.5Å; M188-H226 WeakPolarHBondContact CA-CE1 3.16Å; M188-H226 WeakPolarHBondContact CA-NE2 3.21Å; M188-H226 HydrophobicContact CG-CB 4.49Å; M188-H226 PolarHBondContact N-CE1 2.83Å; M188-H226 HydrophobicContact SD-CB 4.16Å; M188-I234 HydrophobicContact CE-CG2 4.45Å; M188-I234 HydrophobicContact SD-CG2 3.94Å; M188-E236 WeakPolarHBondContact CE-OE1 3.3Å; M188-E236 PolarHBondContact N-O 2.81Å; M188-H259 HydrophobicContact CE-CB 3.75Å; M188-A263 HydrophobicContact CE-CB 4.47Å; M188-A263 HydrophobicContact SD-CB 4.33Å; M188-F287 HydrophobicContact SD-CE1 4.22Å
189A87.5Confident86.5Confident11 Ų1138 Ų389%0.09124%0.243CC..Hα-helixtrans-59-28.3178.600000113.6F131 S187 M193F131-A189 HydrophobicContact CE1-CB 3.99Å; F131-A189 HydrophobicContact CZ-CB 3.79Å; S187-A189 PolarHBondContact O-N 2.97Å; A189-M193 WeakPolarHBondContact O-CB 3.39Å; A189-M193 VanDerWaalsContact O-CG 3.25Å; A189-M193 WeakPolarHBondContact O-CG 3.39Å; A189-M193 PolarHBondContact O-N 2.9Å
190V89.5Confident87.1Confident33 Ų3332.7 Ų32.720%0.222%0.215CC..Hα-helixtrans-69.6-60179.9175.30000111.6I130 V167 S187 M188 M192 M193 L194I130-V190 HydrophobicContact CD1-CG1 4.02Å; V167-V190 HydrophobicContact CB-CG1 4.46Å; V167-V190 HydrophobicContact CG1-CG1 3.67Å; V167-V190 HydrophobicContact CG2-CG1 3.88Å; S187-V190 PolarHBondContact O-N 3.5Å; M188-V190 PolarHBondContact O-N 2.98Å; V190-M192 VanDerWaalsContact C-N 3.28Å; V190-M192 PolarHBondContact O-N 3.01Å; V190-M193 PolarHBondContact O-N 3.43Å; V190-L194 HydrophobicContact CG1-CD1 4.48Å; V190-L194 PolarHBondContact O-N 2.93Å
191P91.2Very high87.7Confident0 Ų025.9 Ų25.90%017%0.17CC..Hα-helixtrans-65.7-29.8177.627.9-36.4000112.4S187 M188 L194 L195 C219 E222 I223S187-P191 VanDerWaalsContact O-CD 3.26Å; S187-P191 WeakPolarHBondContact O-CD 3.3Å; M188-P191 WeakPolarHBondContact O-CD 3.26Å; M188-P191 WeakPolarHBondContact O-CG 3.3Å; P191-L194 PolarHBondContact O-N 3.24Å; P191-L195 VanDerWaalsContact O-CB 3.3Å; P191-L195 WeakPolarHBondContact O-CB 3.46Å; P191-L195 PolarHBondContact O-N 3.44Å; P191-C219 HydrophobicContact CB-CB 4.35Å; P191-E222 HydrophobicContact CB-CB 3.83Å; P191-E222 HydrophobicContact CG-CB 4.07Å; P191-I223 HydrophobicContact CB-CG1 3.96Å; P191-I223 HydrophobicContact CG-CG1 3.97Å
192M91.8Very high88.3Confident4 Ų423.9 Ų23.92%0.0215%0.145CC..Hα-helixtrans-59.7-49.9171.7-75.1171.667.600112.3M188 V190 L195 C196 I223 H259 E262 A263 F266M188-M192 HydrophobicContact CB-SD 4.36Å; M188-M192 HydrophobicContact CE-SD 3.77Å; M188-M192 HydrophobicContact CG-CG 4.08Å; M188-M192 HydrophobicContact CG-SD 3.74Å; M188-M192 WeakPolarHBondContact O-CB 3.21Å; M188-M192 WeakPolarHBondContact O-CG 3.42Å; M188-M192 PolarHBondContact O-N 3.39Å; M188-M192 VanDerWaalsContact O-N 3.09Å; M188-M192 HydrophobicContact SD-SD 4.3Å; V190-M192 VanDerWaalsContact C-N 3.28Å; V190-M192 PolarHBondContact O-N 3.01Å; M192-L195 PolarHBondContact O-N 3.37Å; M192-C196 WeakPolarHBondContact O-CB 3.44Å; M192-C196 PolarHBondContact O-N 2.93Å; M192-I223 HydrophobicContact CG-CD1 4.24Å; M192-I223 HydrophobicContact CG-CG1 4.39Å; M192-H259 HydrophobicContact CE-CB 4.46Å; M192-H259 WeakPolarHBondContact CE-O 3.32Å; M192-E262 HydrophobicContact CE-CB 3.84Å; M192-E262 HydrophobicContact CE-CG 3.91Å; M192-A263 HydrophobicContact CE-CB 3.96Å; M192-A263 HydrophobicContact CG-CB 3.92Å; M192-A263 HydrophobicContact SD-CB 3.85Å; M192-F266 HydrophobicContact CB-CD2 4.46Å; M192-F266 HydrophobicContact CE-CD2 4.41Å; M192-F266 HydrophobicContact CE-CE2 4.35Å
193M92.8Very high89Confident20 Ų2021.8 Ų21.810%0.09913%0.133CC..Hα-helixtrans-68.3-37-179.1-75.1-57.8-50.200112F131 C134 F135 M138 A189 V190 C196 L197F131-M193 HydrophobicContact CD1-CG 3.9Å; F131-M193 HydrophobicContact CE1-CG 3.89Å; C134-M193 HydrophobicContact CB-CE 3.66Å; F135-M193 HydrophobicContact CD1-CE 4.27Å; F135-M193 HydrophobicContact CE1-CE 3.52Å; F135-M193 HydrophobicContact CE1-SD 4.31Å; F135-M193 HydrophobicContact CE2-CE 4.35Å; F135-M193 HydrophobicContact CZ-CE 3.52Å; F135-M193 HydrophobicContact CZ-SD 3.95Å; M138-M193 HydrophobicContact SD-CE 4.44Å; A189-M193 WeakPolarHBondContact O-CB 3.39Å; A189-M193 VanDerWaalsContact O-CG 3.25Å; A189-M193 WeakPolarHBondContact O-CG 3.39Å; A189-M193 PolarHBondContact O-N 2.9Å; V190-M193 PolarHBondContact O-N 3.43Å; M193-C196 WeakPolarHBondContact O-CB 3.28Å; M193-C196 PolarHBondContact O-N 3.22Å; M193-L197 WeakPolarHBondContact O-CG 3.42Å; M193-L197 PolarHBondContact O-N 3.36Å
194L92.8Very high89.4Confident0 Ų021.1 Ų21.10%014%0.144CC..Hα-helixtrans-64-43.5172.7-74.2178.1000111.8M160 V167 V190 P191 C196 L197 V198 W218 C219M160-L194 HydrophobicContact CE-CD2 4.44Å; V167-L194 HydrophobicContact CB-CD1 4.06Å; V167-L194 HydrophobicContact CG1-CD1 3.72Å; V167-L194 HydrophobicContact CG2-CD1 4.06Å; V190-L194 HydrophobicContact CG1-CD1 4.48Å; V190-L194 PolarHBondContact O-N 2.93Å; P191-L194 PolarHBondContact O-N 3.24Å; L194-C196 VanDerWaalsContact C-N 3.31Å; L194-C196 PolarHBondContact O-N 2.83Å; L194-L197 HydrophobicContact CD2-CD1 4.49Å; L194-L197 WeakPolarHBondContact O-CB 3.08Å; L194-L197 PolarHBondContact O-N 3.21Å; L194-L197 VanDerWaalsContact O-N 3.16Å; L194-V198 WeakPolarHBondContact O-CG2 3.36Å; L194-V198 PolarHBondContact O-N 3.49Å; L194-W218 HydrophobicContact CD1-CZ3 3.84Å; L194-C219 VanDerWaalsContact CB-SG 3.55Å
195L93.6Very high89.8Confident0 Ų020.7 Ų20.70%013%0.132CC..Hα-helixtrans-60.4-42.3175.2-176.859.3000111.5P191 M192 L197 V198 Q199 C219 V220 I223 F266 L267 Y270P191-L195 VanDerWaalsContact O-CB 3.3Å; P191-L195 WeakPolarHBondContact O-CB 3.46Å; P191-L195 PolarHBondContact O-N 3.44Å; M192-L195 PolarHBondContact O-N 3.37Å; L195-L197 VanDerWaalsContact C-N 3.32Å; L195-L197 PolarHBondContact O-N 3.44Å; L195-V198 PolarHBondContact O-N 2.86Å; L195-Q199 WeakPolarHBondContact O-CG 3.45Å; L195-Q199 PolarHBondContact O-N 3.19Å; L195-C219 HydrophobicContact CB-CB 3.92Å; L195-C219 HydrophobicContact CD1-CB 4.4Å; L195-V220 HydrophobicContact CD1-CG2 4.45Å; L195-V220 HydrophobicContact CD2-CG2 4.35Å; L195-I223 HydrophobicContact CD2-CD1 3.82Å; L195-F266 HydrophobicContact CD2-CB 4.11Å; L195-L267 HydrophobicContact CD2-CD2 4.13Å; L195-Y270 HydrophobicContact CD1-CD2 3.7Å; L195-Y270 HydrophobicContact CD1-CE2 4.24Å; L195-Y270 HydrophobicContact CD1-CG 4.25Å
196C93.8Very high89.9Confident13 Ų1322.6 Ų22.69%0.08815%0.146CC..Hα-helixtrans-58.2-43.8174.6-174.10000111.6M192 M193 L194 Q199 Q200 F266M192-C196 WeakPolarHBondContact O-CB 3.44Å; M192-C196 PolarHBondContact O-N 2.93Å; M193-C196 WeakPolarHBondContact O-CB 3.28Å; M193-C196 PolarHBondContact O-N 3.22Å; L194-C196 VanDerWaalsContact C-N 3.31Å; L194-C196 PolarHBondContact O-N 2.83Å; C196-Q199 PolarHBondContact O-N 2.9Å; C196-Q200 WeakPolarHBondContact O-CB 3.32Å; C196-Q200 PolarHBondContact O-N 3.27Å; C196-F266 HydrophobicContact CB-CE1 3.98Å; C196-F266 HydrophobicContact CB-CE2 4.15Å; C196-F266 HydrophobicContact CB-CZ 3.74Å
197L93.6Very high90Very high0 Ų027.7 Ų27.70%017%0.169CC..Hα-helixtrans-66.5-41.5176.1-69.4175.9000112.9C134 I137 M138 M160 L163 M193 L194 L195 Q199 Q200 L201C134-L197 HydrophobicContact CB-CD1 4.01Å; C134-L197 HydrophobicContact CB-CG 4.48Å; C134-L197 WeakPolarHBondContact O-CD2 3.45Å; I137-L197 HydrophobicContact CB-CD2 3.93Å; I137-L197 HydrophobicContact CD1-CD1 3.94Å; I137-L197 HydrophobicContact CD1-CD2 4.48Å; I137-L197 HydrophobicContact CG2-CD2 3.85Å; M138-L197 HydrophobicContact CG-CD2 3.6Å; M160-L197 HydrophobicContact CE-CB 4.08Å; M160-L197 HydrophobicContact SD-CB 3.91Å; M160-L197 HydrophobicContact SD-CD1 3.85Å; L163-L197 HydrophobicContact CD1-CD1 3.64Å; M193-L197 WeakPolarHBondContact O-CG 3.42Å; M193-L197 PolarHBondContact O-N 3.36Å; L194-L197 HydrophobicContact CD2-CD1 4.49Å; L194-L197 WeakPolarHBondContact O-CB 3.08Å; L194-L197 PolarHBondContact O-N 3.21Å; L194-L197 VanDerWaalsContact O-N 3.16Å; L195-L197 VanDerWaalsContact C-N 3.32Å; L195-L197 PolarHBondContact O-N 3.44Å; L197-Q199 VanDerWaalsContact C-N 3.32Å; L197-Q199 PolarHBondContact O-N 3.47Å; L197-Q200 PolarHBondContact O-N 2.99Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 WeakPolarHBondContact O-CG 3.07Å; L197-L201 PolarHBondContact O-N 3.4Å
198V93.1Very high89.9Confident7 Ų726.5 Ų26.54%0.04216%0.162CC..Hα-helixtrans-58.6-47.5175.5169.50000110M160 L194 L195 S202 L215M160-V198 HydrophobicContact CE-CG2 4Å; L194-V198 WeakPolarHBondContact O-CG2 3.36Å; L194-V198 PolarHBondContact O-N 3.49Å; L195-V198 PolarHBondContact O-N 2.86Å; V198-S202 WeakPolarHBondContact O-CB 3.49Å; V198-S202 PolarHBondContact O-N 2.79Å; V198-S202 PolarHBondContact O-OG 2.93Å; V198-L215 HydrophobicContact CG2-CB 4.3Å; V198-L215 HydrophobicContact CG2-CD2 3.66Å; V198-L215 HydrophobicContact CG2-CG 3.94Å
199Q91.3Very high89.7Confident9 Ų927.7 Ų27.74%0.04217%0.174CC..Hα-helixtrans-62.5-43.8176.9-71.9175-1900111.9L195 C196 L197 E203 F266L195-Q199 WeakPolarHBondContact O-CG 3.45Å; L195-Q199 PolarHBondContact O-N 3.19Å; C196-Q199 PolarHBondContact O-N 2.9Å; L197-Q199 VanDerWaalsContact C-N 3.32Å; L197-Q199 PolarHBondContact O-N 3.47Å; Q199-E203 PolarHBondContact O-N 3.26Å; Q199-E203 VanDerWaalsContact O-N 3.11Å; Q199-F266 PolarHBondContact NE2-O 2.83Å
200Q92.8Very high89.8Confident5 Ų533.8 Ų33.82%0.02320%0.198CC..Hα-helixtrans-61-51.5178.5177.763.149.700112.2D141 E142 R145 C196 L197 S202 E203D141-Q200 HydrophobicContact CB-CG 4.47Å; D141-Q200 PolarHBondContact OD2-NE2 3.17Å; E142-Q200 PolarHBondContact OE1-NE2 2.87Å; R145-Q200 PolarHBondContact NH2-O 3.13Å; C196-Q200 WeakPolarHBondContact O-CB 3.32Å; C196-Q200 PolarHBondContact O-N 3.27Å; L197-Q200 PolarHBondContact O-N 2.99Å; Q200-S202 VanDerWaalsContact C-N 3.33Å; Q200-S202 PolarHBondContact O-N 3.17Å; Q200-E203 PolarHBondContact O-N 3.24Å
201L90.6Very high89.8Confident2 Ų237.3 Ų37.31%0.0121%0.211CC..Hα-helixtrans-70.2-31.2-177-68174.6000112.4I137 D141 M160 L197 Y212I137-L201 HydrophobicContact CG2-CD1 4.25Å; I137-L201 HydrophobicContact CG2-CD2 4.09Å; I137-L201 HydrophobicContact CG2-CG 4.4Å; D141-L201 HydrophobicContact CB-CD2 3.93Å; M160-L201 HydrophobicContact CB-CD1 3.99Å; M160-L201 HydrophobicContact CG-CD1 3.66Å; M160-L201 HydrophobicContact SD-CD1 4Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 WeakPolarHBondContact O-CG 3.07Å; L197-L201 PolarHBondContact O-N 3.4Å; L201-Y212 HydrophobicContact CB-CD2 4.46Å; L201-Y212 HydrophobicContact CB-CE2 4.23Å; L201-Y212 HydrophobicContact CD1-CE2 4Å
202S90.3Very high89.9Confident28 Ų2837.7 Ų37.720%0.19621%0.212CC..Hα-helixtrans-79.8-19.8180-54.90000113.3V198 Q200 G204 R205 G209V198-S202 WeakPolarHBondContact O-CB 3.49Å; V198-S202 PolarHBondContact O-N 2.79Å; V198-S202 PolarHBondContact O-OG 2.93Å; Q200-S202 VanDerWaalsContact C-N 3.33Å; Q200-S202 PolarHBondContact O-N 3.17Å; S202-G204 PolarHBondContact O-N 2.74Å; S202-G204 VanDerWaalsContact O-N 3.14Å; S202-R205 CarbonylContact O-C 3.53Å; S202-R205 PolarHBondContact O-N 2.78Å; S202-G209 WeakPolarHBondContact OG-CA 3.24Å
203E89.5Confident89.7Confident41 Ų4139.9 Ų39.919%0.19223%0.231CC..THydrogen-bonded Turntrans-57.1119.4-176.6-169.3-177.5134.400111.3R74 R77 R145 Q199 Q200 R205 R269R74-E203 IonicContact CZ-OE1 3.36Å; R74-E203 IonicContact CZ-OE2 2.57Å; R74-E203 VanDerWaalsContact CZ-OE2 3.27Å; R74-E203 IonicContact NH1-OE1 3.12Å; R74-E203 PolarHBondContact NH1-OE1 3.25Å; R74-E203 IonicContact NH1-OE2 3.92Å; R74-E203 PolarHBondContact NH1-OE2 3.32Å; R74-E203 IonicContact NH2-OE1 3.92Å; R74-E203 IonicContact NH2-OE2 3.42Å; R74-E203 PolarHBondContact NH2-OE2 2.85Å; R77-E203 IonicContact CZ-OE1 2.66Å; R77-E203 IonicContact NH1-OE1 3.84Å; R77-E203 PolarHBondContact NH1-OE1 2.89Å; R77-E203 IonicContact NH2-OE1 3.99Å; R77-E203 PolarHBondContact NH2-OE1 3.46Å; R145-E203 VanDerWaalsContact CZ-O 3.27Å; R145-E203 PolarHBondContact NH1-O 3.02Å; R145-E203 PolarHBondContact NH2-O 2.73Å; Q199-E203 PolarHBondContact O-N 3.26Å; Q199-E203 VanDerWaalsContact O-N 3.11Å; Q200-E203 PolarHBondContact O-N 3.24Å; E203-R205 PolarHBondContact O-N 2.83Å; E203-R205 VanDerWaalsContact O-N 3.15Å; E203-R269 IonicContact OE2-NH2 3.38Å; E203-R269 PolarHBondContact OE2-NH2 3.07Å
204G82.4Confident89.7Confident76 Ų7645 Ų4578%0.78425%0.254SS*.THydrogen-bonded Turntrans65.710-178.400000115.2S202S202-G204 PolarHBondContact O-N 2.74Å; S202-G204 VanDerWaalsContact O-N 3.14Å
205R86.8Confident89.7Confident65 Ų6545.4 Ų45.425%0.24526%0.256CS..  trans-131.187.4-178.8-66.3-174.8-172.5143.9-4.7111.1D141 Q153 S202 E203 E207 A208 G209D141-R205 IonicContact OD1-CZ 3.98Å; D141-R205 IonicContact OD1-NH1 3.66Å; D141-R205 PolarHBondContact OD1-NH1 3.15Å; D141-R205 IonicContact OD1-NH2 3.19Å; Q153-R205 VanDerWaalsContact OE1-CZ 3.3Å; S202-R205 CarbonylContact O-C 3.53Å; S202-R205 PolarHBondContact O-N 2.78Å; E203-R205 PolarHBondContact O-N 2.83Å; E203-R205 VanDerWaalsContact O-N 3.15Å; R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 2.75Å; R205-A208 HydrophobicContact CB-CB 3.98Å; R205-A208 PolarHBondContact O-N 2.73Å; R205-A208 VanDerWaalsContact O-N 3.13Å; R205-G209 PolarHBondContact O-N 2.94Å
206P84.6Confident89.5Confident99 Ų9945.4 Ų45.464%0.64326%0.256SS*.Hα-helixtrans-57.1-35.2-176.6-26.835.2000114.5G209 K210P206-G209 PolarHBondContact O-N 2.8Å; P206-K210 WeakPolarHBondContact O-CG 3.48Å; P206-K210 PolarHBondContact O-N 2.66Å
207E86.8Confident89.5Confident130 Ų13047.8 Ų47.861%0.60727%0.274SS*.Hα-helixtrans-68.3-39.2179.2-62.6-54.7129.200112.4R205 G209 K210 K211R205-E207 VanDerWaalsContact C-N 3.27Å; R205-E207 PolarHBondContact O-N 2.75Å; E207-G209 VanDerWaalsContact C-N 3.33Å; E207-K210 PolarHBondContact O-N 2.8Å; E207-K210 IonicContact OE1-NZ 3.85Å; E207-K210 PolarHBondContact OE1-NZ 2.97Å; E207-K210 IonicContact OE2-NZ 3.83Å; E207-K211 PolarHBondContact O-N 2.77Å
208A85.3Confident89.4Confident14 Ų1450.7 Ų50.712%0.11629%0.285CS..Hα-helixtrans-65.8-39.1171.800000111.1R205 K210 K211 Y212R205-A208 HydrophobicContact CB-CB 3.98Å; R205-A208 PolarHBondContact O-N 2.73Å; R205-A208 VanDerWaalsContact O-N 3.13Å; A208-K210 VanDerWaalsContact C-N 3.33Å; A208-K210 PolarHBondContact O-N 3.35Å; A208-K211 WeakPolarHBondContact O-CB 3.41Å; A208-K211 PolarHBondContact O-N 3.05Å; A208-K211 VanDerWaalsContact O-N 3.16Å; A208-Y212 HydrophobicContact CB-CD2 4.41Å; A208-Y212 HydrophobicContact CB-CE2 4.44Å; A208-Y212 WeakPolarHBondContact O-CD2 3.4Å; A208-Y212 PolarHBondContact O-N 3.16Å
209G84.5Confident89.4Confident24 Ų2450.4 Ų50.425%0.24728%0.283CS..Hα-helixtrans-55.8-44.117300000113.1S202 R205 P206 E207 A213S202-G209 WeakPolarHBondContact OG-CA 3.24Å; R205-G209 PolarHBondContact O-N 2.94Å; P206-G209 PolarHBondContact O-N 2.8Å; E207-G209 VanDerWaalsContact C-N 3.33Å; G209-A213 WeakPolarHBondContact O-CB 3.21Å; G209-A213 PolarHBondContact O-N 3.39Å
210K88.4Confident89.5Confident140 Ų14050.4 Ų50.461%0.60928%0.283SS*.Hα-helixtrans-66-43.6174.4-67.2171.6-170161.60112.1P206 E207 A208 Y212 A213P206-K210 WeakPolarHBondContact O-CG 3.48Å; P206-K210 PolarHBondContact O-N 2.66Å; E207-K210 PolarHBondContact O-N 2.8Å; E207-K210 IonicContact OE1-NZ 3.85Å; E207-K210 PolarHBondContact OE1-NZ 2.97Å; E207-K210 IonicContact OE2-NZ 3.83Å; A208-K210 VanDerWaalsContact C-N 3.33Å; A208-K210 PolarHBondContact O-N 3.35Å; K210-Y212 VanDerWaalsContact C-N 3.28Å; K210-Y212 PolarHBondContact O-N 3.37Å; K210-A213 PolarHBondContact O-N 2.75Å
211K90.8Very high89.4Confident107 Ų10753.3 Ų53.347%0.46530%0.301SS..Hα-helixtrans-57.7-41.6179.1-176.9-178.4178.8-176.50111.6E161 E207 A208E161-K211 IonicContact OE1-NZ 3.16Å; E161-K211 PolarHBondContact OE1-NZ 3.37Å; E207-K211 PolarHBondContact O-N 2.77Å; A208-K211 WeakPolarHBondContact O-CB 3.41Å; A208-K211 PolarHBondContact O-N 3.05Å; A208-K211 VanDerWaalsContact O-N 3.16Å
212Y91.5Very high89.4Confident8 Ų854.3 Ų54.33%0.03131%0.306CS..Hα-helixtrans-100.86.9-175.1-60.8-62.2000114.5M160 I164 L201 A208 K210 E214 L215 G216M160-Y212 HydrophobicContact CE-CD1 4.33Å; M160-Y212 HydrophobicContact CE-CE1 4.31Å; M160-Y212 HydrophobicContact CG-CE1 3.83Å; I164-Y212 HydrophobicContact CD1-CD1 4.31Å; I164-Y212 HydrophobicContact CD1-CE1 3.95Å; L201-Y212 HydrophobicContact CB-CD2 4.46Å; L201-Y212 HydrophobicContact CB-CE2 4.23Å; L201-Y212 HydrophobicContact CD1-CE2 4Å; A208-Y212 HydrophobicContact CB-CD2 4.41Å; A208-Y212 HydrophobicContact CB-CE2 4.44Å; A208-Y212 WeakPolarHBondContact O-CD2 3.4Å; A208-Y212 PolarHBondContact O-N 3.16Å; K210-Y212 VanDerWaalsContact C-N 3.28Å; K210-Y212 PolarHBondContact O-N 3.37Å; Y212-E214 PolarHBondContact O-N 2.84Å; Y212-L215 HydrophobicContact CD1-CD2 4.21Å; Y212-L215 WeakPolarHBondContact O-CB 3.28Å; Y212-L215 PolarHBondContact O-N 3.26Å; Y212-L215 VanDerWaalsContact O-N 3.17Å; Y212-G216 PolarHBondContact O-N 3.14Å
213A89.6Confident89.4Confident49 Ų4953 Ų5341%0.40530%0.297SS..Hα-helixtrans-59.6-45.3-17800000112.8G209 K210 L215 G216 S217G209-A213 WeakPolarHBondContact O-CB 3.21Å; G209-A213 PolarHBondContact O-N 3.39Å; K210-A213 PolarHBondContact O-N 2.75Å; A213-L215 VanDerWaalsContact C-N 3.31Å; A213-L215 PolarHBondContact O-N 2.83Å; A213-G216 PolarHBondContact O-N 3.03Å; A213-S217 PolarHBondContact O-N 2.88Å
214E92Very high89.4Confident128 Ų12854.2 Ų54.260%0.59830%0.303SS*.Hα-helixtrans-61.1-43.1176.5-171.8-162.3133.200110.9R168 Y212 G216 S217 W218R168-E214 IonicContact CZ-OE1 2.96Å; R168-E214 IonicContact NH1-OE1 3.02Å; R168-E214 PolarHBondContact NH1-OE1 2.99Å; R168-E214 IonicContact NH2-OE1 3.16Å; R168-E214 PolarHBondContact NH2-OE1 2.91Å; R168-E214 VanDerWaalsContact NH2-OE1 3.16Å; Y212-E214 PolarHBondContact O-N 2.84Å; E214-G216 PolarHBondContact O-N 3.21Å; E214-S217 PolarHBondContact O-N 3.32Å; E214-W218 WeakPolarHBondContact O-CB 3.11Å; E214-W218 PolarHBondContact O-N 3.48Å
215L91.6Very high89.8Confident8 Ų852.9 Ų52.94%0.04228%0.276CS..Hα-helixtrans-64.7-41.3179-176.465.6000111.6M160 I164 V198 Y212 A213 W218 C219M160-L215 HydrophobicContact CE-CD2 3.45Å; M160-L215 VanDerWaalsContact CE-CD2 3.45Å; I164-L215 HydrophobicContact CD1-CD2 3.63Å; I164-L215 HydrophobicContact CG1-CD1 4.49Å; I164-L215 HydrophobicContact CG1-CD2 3.66Å; V198-L215 HydrophobicContact CG2-CB 4.3Å; V198-L215 HydrophobicContact CG2-CD2 3.66Å; V198-L215 HydrophobicContact CG2-CG 3.94Å; Y212-L215 HydrophobicContact CD1-CD2 4.21Å; Y212-L215 WeakPolarHBondContact O-CB 3.28Å; Y212-L215 PolarHBondContact O-N 3.26Å; Y212-L215 VanDerWaalsContact O-N 3.17Å; A213-L215 VanDerWaalsContact C-N 3.31Å; A213-L215 PolarHBondContact O-N 2.83Å; L215-W218 HydrophobicContact CD1-CE3 3.95Å; L215-W218 HydrophobicContact CD1-CZ3 4.48Å; L215-W218 PolarHBondContact O-N 3.23Å; L215-C219 PolarHBondContact O-N 3.15Å; L215-C219 PolarHBondContact O-SG 3.13Å
216G91.1Very high89.9Confident0 Ų049.8 Ų49.80%026%0.264CS..Hα-helixtrans-59.5-46.8174.800000112Y212 A213 E214 W218 C219 V220Y212-G216 PolarHBondContact O-N 3.14Å; A213-G216 PolarHBondContact O-N 3.03Å; E214-G216 PolarHBondContact O-N 3.21Å; G216-W218 PolarHBondContact O-N 2.9Å; G216-C219 PolarHBondContact O-N 2.79Å; G216-V220 WeakPolarHBondContact O-CG2 3.36Å; G216-V220 PolarHBondContact O-N 3.34Å
217S92.2Very high90.1Very high64 Ų6447 Ų4745%0.44824%0.244SC..Hα-helixtrans-62.2-42.2176.5-169.20000112.4A213 E214 V220 T221 Y270A213-S217 PolarHBondContact O-N 2.88Å; E214-S217 PolarHBondContact O-N 3.32Å; S217-V220 PolarHBondContact O-N 3.44Å; S217-T221 PolarHBondContact O-N 3.02Å; S217-T221 PolarHBondContact O-OG1 3.28Å; S217-Y270 PolarHBondContact N-OH 3.48Å
218W93.2Very high90.1Very high61 Ų6142.1 Ų42.123%0.23122%0.221CC..Hα-helixtrans-60.7-48.3174.2177.679.5000111.1V167 L194 E214 L215 G216 V220 T221 E222V167-W218 HydrophobicContact CG1-CH2 3.76Å; V167-W218 HydrophobicContact CG1-CZ3 4.28Å; L194-W218 HydrophobicContact CD1-CZ3 3.84Å; E214-W218 WeakPolarHBondContact O-CB 3.11Å; E214-W218 PolarHBondContact O-N 3.48Å; L215-W218 HydrophobicContact CD1-CE3 3.95Å; L215-W218 HydrophobicContact CD1-CZ3 4.48Å; L215-W218 PolarHBondContact O-N 3.23Å; G216-W218 PolarHBondContact O-N 2.9Å; W218-V220 VanDerWaalsContact C-N 3.31Å; W218-V220 PolarHBondContact O-N 3.37Å; W218-T221 WeakPolarHBondContact O-CB 3.42Å; W218-T221 PolarHBondContact O-N 3.37Å; W218-T221 VanDerWaalsContact O-N 3.09Å; W218-E222 HydrophobicContact CD2-CG 3.87Å; W218-E222 VanDerWaalsContact CE2-CG 3.45Å; W218-E222 HydrophobicContact CE3-CG 4.26Å; W218-E222 HydrophobicContact CG-CG 4.42Å; W218-E222 HydrophobicContact CH2-CG 3.96Å; W218-E222 HydrophobicContact CZ2-CG 3.53Å; W218-E222 HydrophobicContact CZ3-CG 4.3Å; W218-E222 WeakPolarHBondContact O-CG 3.2Å; W218-E222 PolarHBondContact O-N 2.92Å
219C93Very high90Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-59.3-41.5178.6-65.10000112.2P191 L194 L195 L215 G216 T221 E222 I223P191-C219 HydrophobicContact CB-CB 4.35Å; L194-C219 VanDerWaalsContact CB-SG 3.55Å; L195-C219 HydrophobicContact CB-CB 3.92Å; L195-C219 HydrophobicContact CD1-CB 4.4Å; L215-C219 PolarHBondContact O-N 3.15Å; L215-C219 PolarHBondContact O-SG 3.13Å; G216-C219 PolarHBondContact O-N 2.79Å; C219-T221 VanDerWaalsContact C-N 3.35Å; C219-E222 PolarHBondContact O-N 3.12Å; C219-I223 WeakPolarHBondContact O-CD1 3.11Å; C219-I223 VanDerWaalsContact O-CG1 3.23Å; C219-I223 WeakPolarHBondContact O-CG1 3.45Å; C219-I223 PolarHBondContact O-N 3.03Å
220V92.2Very high89.7Confident10 Ų1052.1 Ų52.16%0.06126%0.261CS..Hα-helixtrans-61.6-44.6175.7170.40000111.2L195 G216 S217 W218 E222 I223 Q224 L267 Y270 L279L195-V220 HydrophobicContact CD1-CG2 4.45Å; L195-V220 HydrophobicContact CD2-CG2 4.35Å; G216-V220 WeakPolarHBondContact O-CG2 3.36Å; G216-V220 PolarHBondContact O-N 3.34Å; S217-V220 PolarHBondContact O-N 3.44Å; W218-V220 VanDerWaalsContact C-N 3.31Å; W218-V220 PolarHBondContact O-N 3.37Å; V220-E222 VanDerWaalsContact C-N 3.35Å; V220-E222 PolarHBondContact O-N 3.28Å; V220-I223 PolarHBondContact O-N 3.36Å; V220-Q224 WeakPolarHBondContact O-CG 3.46Å; V220-Q224 PolarHBondContact O-N 3.11Å; V220-L267 HydrophobicContact CB-CD2 4.29Å; V220-L267 HydrophobicContact CG1-CD2 4.08Å; V220-L267 HydrophobicContact CG2-CD2 3.86Å; V220-Y270 HydrophobicContact CG2-CD1 3.59Å; V220-Y270 HydrophobicContact CG2-CE1 3.72Å; V220-Y270 HydrophobicContact CG2-CG 4.01Å; V220-L279 HydrophobicContact CG1-CD1 3.69Å; V220-L279 HydrophobicContact CG1-CD2 3.87Å; V220-L279 HydrophobicContact CG1-CG 4.45Å; V220-L279 HydrophobicContact CG2-CD2 4.34Å
221T91.9Very high89.3Confident65 Ų6545.8 Ų45.840%0.39924%0.235SC..Hα-helixtrans-62-44.7178.7-55.50000110.9S217 W218 C219 Q224 Q225S217-T221 PolarHBondContact O-N 3.02Å; S217-T221 PolarHBondContact O-OG1 3.28Å; W218-T221 WeakPolarHBondContact O-CB 3.42Å; W218-T221 PolarHBondContact O-N 3.37Å; W218-T221 VanDerWaalsContact O-N 3.09Å; C219-T221 VanDerWaalsContact C-N 3.35Å; T221-Q224 PolarHBondContact O-N 3.47Å; T221-Q225 WeakPolarHBondContact O-CG 3.29Å; T221-Q225 PolarHBondContact O-N 3.3Å; T221-Q225 VanDerWaalsContact O-N 3.13Å
222E90.4Very high88.8Confident23 Ų2345 Ų4511%0.10724%0.24CC..Hα-helixtrans-63.4-44.4177.1-65.9-63.1115.400111.4N186 P191 W218 C219 V220 Q224 Q225 H226N186-E222 PolarHBondContact ND2-OE2 3.01Å; P191-E222 HydrophobicContact CB-CB 3.83Å; P191-E222 HydrophobicContact CG-CB 4.07Å; W218-E222 HydrophobicContact CD2-CG 3.87Å; W218-E222 VanDerWaalsContact CE2-CG 3.45Å; W218-E222 HydrophobicContact CE3-CG 4.26Å; W218-E222 HydrophobicContact CG-CG 4.42Å; W218-E222 HydrophobicContact CH2-CG 3.96Å; W218-E222 HydrophobicContact CZ2-CG 3.53Å; W218-E222 HydrophobicContact CZ3-CG 4.3Å; W218-E222 WeakPolarHBondContact O-CG 3.2Å; W218-E222 PolarHBondContact O-N 2.92Å; C219-E222 PolarHBondContact O-N 3.12Å; V220-E222 VanDerWaalsContact C-N 3.35Å; V220-E222 PolarHBondContact O-N 3.28Å; E222-Q224 VanDerWaalsContact C-N 3.29Å; E222-Q224 PolarHBondContact O-N 3.26Å; E222-Q225 WeakPolarHBondContact O-CB 3.32Å; E222-Q225 PolarHBondContact O-N 2.89Å; E222-Q225 VanDerWaalsContact O-N 3.1Å; E222-Q225 PolarHBondContact OE1-NE2 3.35Å; E222-H226 PolarHBondContact O-CD2 2.93Å
223I90.2Very high88.4Confident0 Ų044.8 Ų44.80%024%0.239CC..Hα-helixtrans-60.4-40.4175.8-67.2162.9000110.7P191 M192 L195 C219 V220 Q225 H226 A263 L267 F287P191-I223 HydrophobicContact CB-CG1 3.96Å; P191-I223 HydrophobicContact CG-CG1 3.97Å; M192-I223 HydrophobicContact CG-CD1 4.24Å; M192-I223 HydrophobicContact CG-CG1 4.39Å; L195-I223 HydrophobicContact CD2-CD1 3.82Å; C219-I223 WeakPolarHBondContact O-CD1 3.11Å; C219-I223 VanDerWaalsContact O-CG1 3.23Å; C219-I223 WeakPolarHBondContact O-CG1 3.45Å; C219-I223 PolarHBondContact O-N 3.03Å; V220-I223 PolarHBondContact O-N 3.36Å; I223-Q225 VanDerWaalsContact C-N 3.26Å; I223-Q225 PolarHBondContact O-N 3.13Å; I223-H226 WeakPolarHBondContact O-CB 3.39Å; I223-H226 PolarHBondContact O-N 3.48Å; I223-A263 HydrophobicContact CG2-CB 4.3Å; I223-L267 HydrophobicContact CD1-CD2 4.17Å; I223-L267 HydrophobicContact CG2-CD1 3.85Å; I223-L267 HydrophobicContact CG2-CD2 4.33Å; I223-L267 HydrophobicContact CG2-CG 4.31Å; I223-F287 HydrophobicContact CG2-CE1 3.69Å; I223-F287 HydrophobicContact CG2-CE2 4.43Å; I223-F287 HydrophobicContact CG2-CZ 3.57Å
224Q89.8Confident88.2Confident68 Ų6842.7 Ų42.732%0.31822%0.221SC..Hα-helixtrans-65.3-27177.3-74.3179.2-37.500113.2V220 T221 E222 H226 I227V220-Q224 WeakPolarHBondContact O-CG 3.46Å; V220-Q224 PolarHBondContact O-N 3.11Å; T221-Q224 PolarHBondContact O-N 3.47Å; E222-Q224 VanDerWaalsContact C-N 3.29Å; E222-Q224 PolarHBondContact O-N 3.26Å; Q224-H226 PolarHBondContact O-N 2.7Å; Q224-I227 HydrophobicContact CB-CD1 4.37Å; Q224-I227 HydrophobicContact CG-CD1 4.43Å; Q224-I227 VanDerWaalsContact O-CB 3.26Å; Q224-I227 WeakPolarHBondContact O-CB 2.89Å; Q224-I227 VanDerWaalsContact O-CG1 3.29Å; Q224-I227 WeakPolarHBondContact O-CG1 2.89Å; Q224-I227 PolarHBondContact O-N 2.93Å
225Q89.8Confident88Confident48 Ų4836.6 Ų36.622%0.22419%0.193CC..THydrogen-bonded Turntrans-65.8-16.8173.3-67.217029.300112.7T221 E222 I223 I227 Q228T221-Q225 WeakPolarHBondContact O-CG 3.29Å; T221-Q225 PolarHBondContact O-N 3.3Å; T221-Q225 VanDerWaalsContact O-N 3.13Å; E222-Q225 WeakPolarHBondContact O-CB 3.32Å; E222-Q225 PolarHBondContact O-N 2.89Å; E222-Q225 VanDerWaalsContact O-N 3.1Å; E222-Q225 PolarHBondContact OE1-NE2 3.35Å; I223-Q225 VanDerWaalsContact C-N 3.26Å; I223-Q225 PolarHBondContact O-N 3.13Å; Q225-I227 PolarHBondContact O-N 3.4Å; Q225-Q228 PolarHBondContact O-NE2 3.12Å
226H89.1Confident87.6Confident0 Ų036.8 Ų36.80%019%0.194CC..THydrogen-bonded Turntrans-76.3-9.2173.5-69.8-93.8000113.3N186 M188 E222 I223 Q224 Q228 I234 L235 E236N186-H226 PolarHBondContact O-CE1 3.42Å; M188-H226 VanDerWaalsContact CA-CE1 3.5Å; M188-H226 WeakPolarHBondContact CA-CE1 3.16Å; M188-H226 WeakPolarHBondContact CA-NE2 3.21Å; M188-H226 HydrophobicContact CG-CB 4.49Å; M188-H226 PolarHBondContact N-CE1 2.83Å; M188-H226 HydrophobicContact SD-CB 4.16Å; E222-H226 PolarHBondContact O-CD2 2.93Å; I223-H226 WeakPolarHBondContact O-CB 3.39Å; I223-H226 PolarHBondContact O-N 3.48Å; Q224-H226 PolarHBondContact O-N 2.7Å; H226-Q228 PolarHBondContact O-N 2.51Å; H226-I234 HydrophobicContact CB-CG2 4.37Å; H226-I234 WeakPolarHBondContact O-CA 3.06Å; H226-L235 WeakPolarHBondContact CB-O 3.39Å; H226-L235 PolarHBondContact ND1-O 2.92Å; H226-L235 PolarHBondContact O-N 3.23Å; H226-L235 VanDerWaalsContact O-N 3.1Å; H226-E236 PolarHBondContact CE1-O 3.48Å; H226-E236 VanDerWaalsContact CE1-O 3.29Å
227I88.4Confident87.4Confident41 Ų4137.6 Ų37.621%0.2120%0.198CC..EExtended strand (participates in β ladder)trans-75109.6170.3-54.1171.1000108.2Q224 Q225 G231 I234 T282 K286 F287Q224-I227 HydrophobicContact CB-CD1 4.37Å; Q224-I227 HydrophobicContact CG-CD1 4.43Å; Q224-I227 VanDerWaalsContact O-CB 3.26Å; Q224-I227 WeakPolarHBondContact O-CB 2.89Å; Q224-I227 VanDerWaalsContact O-CG1 3.29Å; Q224-I227 WeakPolarHBondContact O-CG1 2.89Å; Q224-I227 PolarHBondContact O-N 2.93Å; Q225-I227 PolarHBondContact O-N 3.4Å; I227-G231 VanDerWaalsContact CG2-CA 3.44Å; I227-I234 HydrophobicContact CB-CD1 4.19Å; I227-I234 HydrophobicContact CG1-CD1 3.7Å; I227-I234 HydrophobicContact CG2-CD1 4.46Å; I227-T282 HydrophobicContact CD1-CG2 3.91Å; I227-K286 HydrophobicContact CD1-CB 4.37Å; I227-K286 HydrophobicContact CD1-CG 4.49Å; I227-F287 HydrophobicContact CD1-CE2 3.79Å; I227-F287 HydrophobicContact CD1-CZ 4.24Å; I227-F287 HydrophobicContact CG1-CE2 3.84Å; I227-F287 HydrophobicContact CG1-CZ 3.84Å
228Q87Confident87.2Confident27 Ų2734.5 Ų34.513%0.12618%0.176CC..EExtended strand (participates in β ladder)trans-121.8173.4-175.7-64.7-68.4-32.200111.2Q225 H226 D230 G231 T232 A233 L235 V238 G242Q225-Q228 PolarHBondContact O-NE2 3.12Å; H226-Q228 PolarHBondContact O-N 2.51Å; Q228-D230 PolarHBondContact O-N 2.96Å; Q228-G231 WeakPolarHBondContact O-CA 3.04Å; Q228-G231 PolarHBondContact O-N 3.32Å; Q228-T232 PolarHBondContact O-N 3.36Å; Q228-A233 PolarHBondContact N-O 2.91Å; Q228-A233 PolarHBondContact O-N 3.25Å; Q228-L235 HydrophobicContact CB-CD1 3.68Å; Q228-L235 HydrophobicContact CB-CG 3.98Å; Q228-L235 HydrophobicContact CG-CB 4.47Å; Q228-L235 HydrophobicContact CG-CD1 3.68Å; Q228-L235 HydrophobicContact CG-CG 4.04Å; Q228-V238 HydrophobicContact CG-CG1 4.2Å; Q228-G242 PolarHBondContact NE2-O 3.43Å
229R83.8Confident86.9Confident75 Ų7532.5 Ų32.528%0.28317%0.171SC..G310 helixtrans53.252.7178.5-57.2-177.8175-155.2-7112.5G231 T232 E244 V309 D310R229-G231 PolarHBondContact O-N 3.46Å; R229-G231 VanDerWaalsContact O-N 3.1Å; R229-T232 VanDerWaalsContact CB-OG1 3.28Å; R229-T232 WeakPolarHBondContact CB-OG1 3.4Å; R229-T232 WeakPolarHBondContact O-CB 3.46Å; R229-T232 WeakPolarHBondContact O-CG2 3.4Å; R229-T232 PolarHBondContact O-N 2.88Å; R229-T232 VanDerWaalsContact O-N 3.11Å; R229-T232 PolarHBondContact O-OG1 2.96Å; R229-E244 WeakPolarHBondContact CG-OE2 3.44Å; R229-E244 IonicContact CZ-OE1 3.19Å; R229-E244 IonicContact NE-OE1 3.34Å; R229-E244 PolarHBondContact NE-OE1 3.02Å; R229-E244 IonicContact NE-OE2 2.83Å; R229-E244 PolarHBondContact NE-OE2 3.1Å; R229-E244 IonicContact NH2-OE1 3.76Å; R229-E244 PolarHBondContact NH2-OE1 3.14Å; R229-V309 VanDerWaalsContact NH2-CG1 3.27Å; R229-D310 IonicContact CZ-OD1 2.7Å; R229-D310 IonicContact NH1-OD1 3.45Å; R229-D310 PolarHBondContact NH1-OD1 2.96Å; R229-D310 IonicContact NH2-OD1 3.4Å; R229-D310 PolarHBondContact NH2-OD1 2.94Å; R229-D310 IonicContact NH2-OD2 2.75Å
230D78.6Confident86.3Confident172 Ų17235.7 Ų35.792%0.9220%0.198SC*.G310 helixtrans55.827.9-177.6-56.1-37.5000114Q228Q228-D230 PolarHBondContact O-N 2.96Å
231G78.5Confident85.8Confident7 Ų741 Ų417%0.07223%0.231CC..G310 helixtrans80.228.8179.500000114.5I227 Q228 R229 K286I227-G231 VanDerWaalsContact CG2-CA 3.44Å; Q228-G231 WeakPolarHBondContact O-CA 3.04Å; Q228-G231 PolarHBondContact O-N 3.32Å; R229-G231 PolarHBondContact O-N 3.46Å; R229-G231 VanDerWaalsContact O-N 3.1Å; G231-K286 WeakPolarHBondContact O-CD 3.28Å; G231-K286 PolarHBondContact O-NZ 2.86Å
232T81.6Confident85.3Confident92 Ų9238.7 Ų38.756%0.56422%0.219SC*.THydrogen-bonded Turntrans-101-6.9173.261.20000113.2Q228 R229Q228-T232 PolarHBondContact O-N 3.36Å; R229-T232 VanDerWaalsContact CB-OG1 3.28Å; R229-T232 WeakPolarHBondContact CB-OG1 3.4Å; R229-T232 WeakPolarHBondContact O-CB 3.46Å; R229-T232 WeakPolarHBondContact O-CG2 3.4Å; R229-T232 PolarHBondContact O-N 2.88Å; R229-T232 VanDerWaalsContact O-N 3.11Å; R229-T232 PolarHBondContact O-OG1 2.96Å
233A82.7Confident85.1Confident2 Ų239.8 Ų39.82%0.01723%0.232CC..EExtended strand (participates in β ladder)trans-148.2146.4176.800000112.4Q228 L235 V309Q228-A233 PolarHBondContact N-O 2.91Å; Q228-A233 PolarHBondContact O-N 3.25Å; A233-L235 HydrophobicContact CB-CD2 4.38Å; A233-V309 HydrophobicContact CB-CG2 3.54Å
234I85.9Confident84.9Confident5 Ų543.2 Ų43.23%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-102.2126164.7-55.1-54.7000108.5M188 H226 I227 Q253 A260 K286 F287 P291M188-I234 HydrophobicContact CE-CG2 4.45Å; M188-I234 HydrophobicContact SD-CG2 3.94Å; H226-I234 HydrophobicContact CB-CG2 4.37Å; H226-I234 WeakPolarHBondContact O-CA 3.06Å; I227-I234 HydrophobicContact CB-CD1 4.19Å; I227-I234 HydrophobicContact CG1-CD1 3.7Å; I227-I234 HydrophobicContact CG2-CD1 4.46Å; I234-Q253 PolarHBondContact O-NE2 3.08Å; I234-A260 HydrophobicContact CG2-CB 4.45Å; I234-K286 WeakPolarHBondContact CG1-O 3.17Å; I234-F287 HydrophobicContact CD1-CD1 4.34Å; I234-F287 HydrophobicContact CD1-CE1 4.04Å; I234-F287 HydrophobicContact CD1-CZ 4.13Å; I234-F287 HydrophobicContact CG1-CD1 4.37Å; I234-F287 HydrophobicContact CG1-CE1 4.39Å; I234-F287 HydrophobicContact CG2-CE1 4.15Å; I234-P291 HydrophobicContact CG1-CG 4.4Å
235L86.8Confident84.7Confident0 Ų041 Ų410%024%0.238CC..  trans-109.9139180-55.9-177.9000110.6H226 Q228 A233 N237 E244 G250 Q253 V309H226-L235 WeakPolarHBondContact CB-O 3.39Å; H226-L235 PolarHBondContact ND1-O 2.92Å; H226-L235 PolarHBondContact O-N 3.23Å; H226-L235 VanDerWaalsContact O-N 3.1Å; Q228-L235 HydrophobicContact CB-CD1 3.68Å; Q228-L235 HydrophobicContact CB-CG 3.98Å; Q228-L235 HydrophobicContact CG-CB 4.47Å; Q228-L235 HydrophobicContact CG-CD1 3.68Å; Q228-L235 HydrophobicContact CG-CG 4.04Å; A233-L235 HydrophobicContact CB-CD2 4.38Å; L235-N237 PolarHBondContact O-N 2.9Å; L235-E244 HydrophobicContact CD1-CB 4.15Å; L235-E244 HydrophobicContact CD1-CG 3.63Å; L235-G250 WeakPolarHBondContact CD1-O 3.41Å; L235-Q253 HydrophobicContact CD2-CG 4.03Å; L235-V309 HydrophobicContact CD2-CB 4.07Å; L235-V309 HydrophobicContact CD2-CG1 4.08Å; L235-V309 HydrophobicContact CD2-CG2 4.27Å
236E84.3Confident84.4Confident13 Ų1344.3 Ų44.36%0.06127%0.265CS..SBendtrans-72-31.5-177.1-78.3-60.7168.600113.9S187 M188 H226 L252 N254 H259S187-E236 WeakPolarHBondContact CA-O 3.39Å; M188-E236 WeakPolarHBondContact CE-OE1 3.3Å; M188-E236 PolarHBondContact N-O 2.81Å; H226-E236 PolarHBondContact CE1-O 3.48Å; H226-E236 VanDerWaalsContact CE1-O 3.29Å; E236-L252 PolarHBondContact N-O 2.69Å; E236-N254 HydrophobicContact CG-CB 3.51Å; E236-N254 WeakPolarHBondContact OE1-CB 3.21Å; E236-H259 VanDerWaalsContact OE1-CB 3.25Å; E236-H259 WeakPolarHBondContact OE1-CB 3.45Å; E236-H259 IonicContact OE1-CG 3.94Å; E236-H259 IonicContact OE1-ND1 3.76Å; E236-H259 PolarHBondContact OE1-ND1 2.9Å; E236-H259 IonicContact OE2-ND1 3.26Å
237N86.3Confident84.1Confident16 Ų1645.8 Ų45.89%0.08628%0.28CS..EExtended strand (participates in β ladder)trans-126.2126.3-179.2-50.3-74.5000110.1N186 L235 L245 L249N186-N237 VanDerWaalsContact O-CA 3.3Å; N186-N237 WeakPolarHBondContact O-CA 3.31Å; L235-N237 PolarHBondContact O-N 2.9Å; N237-L245 HydrophobicContact CB-CD1 4.35Å; N237-L249 HydrophobicContact CB-CD1 4.42Å; N237-L249 HydrophobicContact CB-CG 4.16Å; N237-L249 WeakPolarHBondContact ND2-CD1 3.45Å; N237-L249 PolarHBondContact ND2-O 2.88Å; N237-L249 VanDerWaalsContact ND2-O 3.11Å
238V86.9Confident83.7Confident0 Ų045.9 Ų45.90%028%0.284CS..EExtended strand (participates in β ladder)trans-120.9165.4172.8-63.10000109.5T185 N186 Q228T185-V238 CarbonylContact C-O 3.54Å; T185-V238 WeakPolarHBondContact CA-O 3.48Å; N186-V238 HydrophobicContact CB-CG2 4.05Å; N186-V238 PolarHBondContact N-O 3.22Å; N186-V238 PolarHBondContact O-N 3.35Å; Q228-V238 HydrophobicContact CG-CG1 4.2Å
239S86.8Confident83.3Confident18 Ų1847.9 Ų47.913%0.12630%0.295CS..EExtended strand (participates in β ladder)trans-63.1163.4171.878.20000110.6T241 G242 A243S239-T241 PolarHBondContact O-N 3.41Å; S239-T241 PolarHBondContact OG-N 3.27Å; S239-T241 PolarHBondContact OG-OG1 3.45Å; S239-G242 PolarHBondContact O-N 2.96Å; S239-G242 PolarHBondContact OG-N 3.36Å; S239-A243 PolarHBondContact N-O 3.2Å; S239-A243 WeakPolarHBondContact OG-CB 3.49Å; S239-A243 PolarHBondContact OG-N 3.49Å
240A81.5Confident83.1Confident67 Ų6744.3 Ų44.355%0.55428%0.281SS*.THydrogen-bonded Turntrans-58.9-11.317200000114.4P184P184-A240 HydrophobicContact CB-CB 4.16Å; P184-A240 PolarHBondContact O-N 3.34Å
241T81.4Confident83.2Confident122 Ų12238.5 Ų38.575%0.74825%0.246SC*.THydrogen-bonded Turntrans-105.97.7175.765.90000112.8S239S239-T241 PolarHBondContact O-N 3.41Å; S239-T241 PolarHBondContact OG-N 3.27Å; S239-T241 PolarHBondContact OG-OG1 3.45Å
242G81.1Confident83.1Confident16 Ų1639.1 Ų39.117%0.16525%0.248CC..SBendtrans76.625.2-179.800000115.1Q228 S239Q228-G242 PolarHBondContact NE2-O 3.43Å; S239-G242 PolarHBondContact O-N 2.96Å; S239-G242 PolarHBondContact OG-N 3.36Å
243A86.9Confident82.4Confident46 Ų4635.3 Ų35.338%0.3822%0.224SC..PPolyproline II helixtrans-99.9149.4175.900000112S239 L245S239-A243 PolarHBondContact N-O 3.2Å; S239-A243 WeakPolarHBondContact OG-CB 3.49Å; S239-A243 PolarHBondContact OG-N 3.49Å; A243-L245 PolarHBondContact O-N 3.36Å
244E86.6Confident81.1Confident72 Ų7236 Ų3634%0.33623%0.227SC..BIsolated β-bridgetrans-57.8133.6172.9-179.5169.4179.200111.3R229 L235R229-E244 WeakPolarHBondContact CG-OE2 3.44Å; R229-E244 IonicContact CZ-OE1 3.19Å; R229-E244 IonicContact NE-OE1 3.34Å; R229-E244 PolarHBondContact NE-OE1 3.02Å; R229-E244 IonicContact NE-OE2 2.83Å; R229-E244 PolarHBondContact NE-OE2 3.1Å; R229-E244 IonicContact NH2-OE1 3.76Å; R229-E244 PolarHBondContact NH2-OE1 3.14Å; L235-E244 HydrophobicContact CD1-CB 4.15Å; L235-E244 HydrophobicContact CD1-CG 3.63Å
245L85.1Confident79.3Confident21 Ų2135.8 Ų35.811%0.1123%0.226CC..PPolyproline II helixtrans-92.7145.6178.5-67.8168.7000110.8T185 N237 A243 G250T185-L245 HydrophobicContact CG2-CD1 3.38Å; N237-L245 HydrophobicContact CB-CD1 4.35Å; A243-L245 PolarHBondContact O-N 3.36Å; L245-G250 WeakPolarHBondContact O-CA 3.31Å
246P83.4Confident77.4Confident119 Ų11936.1 Ų36.177%0.77323%0.228SC*.SBendtrans-74.9158172.431.3-34.4000111.9
247G82.6Confident75.8Confident31 Ų3135.5 Ų35.532%0.3223%0.225SC..SBendtrans83.2-173.417300000114.1L249 G250 R251G247-L249 PolarHBondContact O-N 3.24Å; G247-G250 PolarHBondContact O-N 3.07Å; G247-R251 WeakPolarHBondContact O-CG 3.32Å; G247-R251 PolarHBondContact O-N 3.32Å
248C80.6Confident74.6Confident43 Ų4334.8 Ų34.829%0.29122%0.221SC..Hα-helixtrans-62.2-31.2-172.6-45.70000112.8L252 T315 Q316C248-L252 WeakPolarHBondContact O-CB 3.18Å; C248-L252 PolarHBondContact O-N 3.27Å; C248-T315 PolarHBondContact SG-OG1 3.1Å; C248-Q316 HydrophobicContact CB-CG 4.4Å
249L78.3Confident74.3Confident68 Ų6836.8 Ų36.836%0.35623%0.23SC..Hα-helixtrans-68.8-40-178.1-17467.2000112.6T185 N237 G247T185-L249 HydrophobicContact CG2-CD2 3.82Å; N237-L249 HydrophobicContact CB-CD1 4.42Å; N237-L249 HydrophobicContact CB-CG 4.16Å; N237-L249 WeakPolarHBondContact ND2-CD1 3.45Å; N237-L249 PolarHBondContact ND2-O 2.88Å; N237-L249 VanDerWaalsContact ND2-O 3.11Å; G247-L249 PolarHBondContact O-N 3.24Å
250G79Confident74.2Confident0 Ų036 Ų360%023%0.225CC..Hα-helixtrans-84.2-28.217900000113.8L235 L245 G247 L252L235-G250 WeakPolarHBondContact CD1-O 3.41Å; L245-G250 WeakPolarHBondContact O-CA 3.31Å; G247-G250 PolarHBondContact O-N 3.07Å; G250-L252 VanDerWaalsContact C-N 3.28Å
251R80.7Confident74.5Confident51 Ų5132.8 Ų32.819%0.19220%0.199CC..Hα-helixtrans-79.5-11.8172-65.5-168.3-52.7-91.9-3.4114.1G247 Q253 D308 V309 D310G247-R251 WeakPolarHBondContact O-CG 3.32Å; G247-R251 PolarHBondContact O-N 3.32Å; R251-Q253 PolarHBondContact O-N 2.81Å; R251-D308 VanDerWaalsContact CB-OD2 3.28Å; R251-D308 WeakPolarHBondContact CB-OD2 3.28Å; R251-D308 IonicContact CZ-OD2 2.91Å; R251-D308 IonicContact NE-OD1 2.75Å; R251-D308 IonicContact NE-OD2 3.8Å; R251-D308 PolarHBondContact NE-OD2 3.34Å; R251-D308 IonicContact NH2-OD2 3.64Å; R251-V309 HydrophobicContact CB-CG1 4.02Å; R251-V309 HydrophobicContact CG-CG1 4.16Å; R251-V309 PolarHBondContact O-N 3.24Å; R251-D310 WeakPolarHBondContact CD-OD2 3.39Å
252L77.9Confident74.9Confident19 Ų1927.7 Ų27.710%0.09917%0.166CC..EExtended strand (participates in β ladder)trans-62.4111-179.3-176.566.3000108.9E236 C248 G250 F306E236-L252 PolarHBondContact N-O 2.69Å; C248-L252 WeakPolarHBondContact O-CB 3.18Å; C248-L252 PolarHBondContact O-N 3.27Å; G250-L252 VanDerWaalsContact C-N 3.28Å; L252-F306 HydrophobicContact CD1-CB 4.46Å; L252-F306 HydrophobicContact CD1-CD1 3.96Å
253Q66.9Low75.3Confident13 Ų1326.9 Ų26.96%0.06116%0.158CC..EExtended strand (participates in β ladder)trans-96.8114.3157.7-55.4-173.2-70.900105.2I234 L235 R251 P255 D256 L307 V309I234-Q253 PolarHBondContact O-NE2 3.08Å; L235-Q253 HydrophobicContact CD2-CG 4.03Å; R251-Q253 PolarHBondContact O-N 2.81Å; Q253-P255 VanDerWaalsContact C-N 3.26Å; Q253-D256 PolarHBondContact NE2-OD2 2.88Å; Q253-D256 VanDerWaalsContact NE2-OD2 3.07Å; Q253-L307 CarbonylContact C-O 3.46Å; Q253-L307 WeakPolarHBondContact CA-O 3.23Å; Q253-L307 HydrophobicContact CB-CB 4.31Å; Q253-L307 WeakPolarHBondContact CB-O 3.48Å; Q253-L307 PolarHBondContact N-O 3.33Å; Q253-L307 CarbonylContact O-C 2.71Å; Q253-L307 PolarHBondContact O-N 3.34Å; Q253-V309 HydrophobicContact CG-CB 3.9Å
254N55.3Low75.5Confident16 Ų1624.7 Ų24.79%0.08614%0.14CC..  trans-7598.7158.2-177.1-4.1000104.6E236 D256 Y305 F306E236-N254 HydrophobicContact CG-CB 3.51Å; E236-N254 WeakPolarHBondContact OE1-CB 3.21Å; N254-D256 PolarHBondContact O-N 2.88Å; N254-Y305 PolarHBondContact OD1-O 3.03Å; N254-F306 HydrophobicContact CB-CD1 3.75Å; N254-F306 HydrophobicContact CB-CE1 3.7Å; N254-F306 WeakPolarHBondContact OD1-CE1 3.32Å
255P48.2Very low75.7Confident1 Ų121.5 Ų21.51%0.00613%0.125CC..  trans-60112.2-137.335.1-22.3000106.5Q253 S257 F304 Y305 F306 L307Q253-P255 VanDerWaalsContact C-N 3.26Å; P255-S257 PolarHBondContact O-N 3.43Å; P255-S257 PolarHBondContact O-OG 3.4Å; P255-F304 HydrophobicContact CB-CB 4.31Å; P255-F304 HydrophobicContact CG-CB 3.86Å; P255-F304 WeakPolarHBondContact CG-O 3.28Å; P255-Y305 WeakPolarHBondContact CD-O 3.48Å; P255-F306 VanDerWaalsContact CD-CA 3.42Å; P255-F306 VanDerWaalsContact CG-N 3.3Å; P255-L307 HydrophobicContact CB-CB 3.59Å; P255-L307 HydrophobicContact CB-CD1 3.49Å; P255-L307 VanDerWaalsContact CB-CD1 3.49Å; P255-L307 HydrophobicContact CB-CG 3.34Å; P255-L307 HydrophobicContact CG-CG 4.29Å
256D46.5Very low76.1Confident6 Ų620.6 Ų20.63%0.03212%0.12CC..THydrogen-bonded Turn47.430.4125.7-90.3-17.5000115.5Q253 N254 P291 F292 S294Q253-D256 PolarHBondContact NE2-OD2 2.88Å; Q253-D256 VanDerWaalsContact NE2-OD2 3.07Å; N254-D256 PolarHBondContact O-N 2.88Å; D256-P291 HydrophobicContact CB-CB 4.04Å; D256-P291 WeakPolarHBondContact CB-O 3.45Å; D256-P291 CarbonylContact O-C 3.55Å; D256-P291 WeakPolarHBondContact O-CA 3.42Å; D256-P291 WeakPolarHBondContact O-CB 3.48Å; D256-P291 WeakPolarHBondContact OD1-CA 3.44Å; D256-F292 PolarHBondContact O-N 3.47Å; D256-S294 VanDerWaalsContact CB-OG 3.26Å; D256-S294 WeakPolarHBondContact CB-OG 3.41Å; D256-S294 WeakPolarHBondContact OD2-CB 3.28Å; D256-S294 PolarHBondContact OD2-OG 3.34Å
257S49.3Very low76.6Confident0 Ų015 Ų150%08%0.084CC..THydrogen-bonded Turntrans-171.9-29.3170.357.60000114P255 L261 L303P255-S257 PolarHBondContact O-N 3.43Å; P255-S257 PolarHBondContact O-OG 3.4Å; S257-L261 WeakPolarHBondContact O-CB 3.15Å; S257-L261 WeakPolarHBondContact O-CD1 3.1Å; S257-L261 WeakPolarHBondContact O-CG 3.46Å; S257-L303 VanDerWaalsContact OG-CB 3.23Å; S257-L303 WeakPolarHBondContact OG-CB 3.5Å; S257-L303 WeakPolarHBondContact OG-CD1 3.36Å; S257-L303 WeakPolarHBondContact OG-CD2 3.49Å; S257-L303 WeakPolarHBondContact OG-CG 3.31Å
258G62.1Low77.1Confident1 Ų113.5 Ų13.51%0.017%0.068CC..SBendtrans-80.3-80.7177.200000111.6L261 E262G258-L261 PolarHBondContact O-N 3.46Å; G258-E262 VanDerWaalsContact O-CB 3.28Å; G258-E262 WeakPolarHBondContact O-CB 3.44Å; G258-E262 PolarHBondContact O-N 3.11Å
259H80.1Confident77.6Confident42 Ų4214.6 Ų14.619%0.1947%0.066CC..Hα-helixtrans-66.3-38.6-177.8-91.3-166.6000112.6M188 M192 E236 E262 A263 W326M188-H259 HydrophobicContact CE-CB 3.75Å; M192-H259 HydrophobicContact CE-CB 4.46Å; M192-H259 WeakPolarHBondContact CE-O 3.32Å; E236-H259 VanDerWaalsContact OE1-CB 3.25Å; E236-H259 WeakPolarHBondContact OE1-CB 3.45Å; E236-H259 IonicContact OE1-CG 3.94Å; E236-H259 IonicContact OE1-ND1 3.76Å; E236-H259 PolarHBondContact OE1-ND1 2.9Å; E236-H259 IonicContact OE2-ND1 3.26Å; H259-E262 IonicContact CD2-OE2 2.67Å; H259-E262 PolarHBondContact O-N 2.94Å; H259-A263 VanDerWaalsContact O-CB 3.31Å; H259-A263 WeakPolarHBondContact O-CB 3.45Å; H259-A263 PolarHBondContact O-N 3.39Å; H259-W326 AromaticContact CD2-CH2 3.51Å; H259-W326 AromaticContact CD2-CZ3 3.76Å
260A85.1Confident78.2Confident1 Ų112.9 Ų12.91%0.0086%0.055CC..Hα-helixtrans-64.7-45.617700000111.8I234 E262 A263 G264 F287 P291I234-A260 HydrophobicContact CG2-CB 4.45Å; A260-E262 VanDerWaalsContact C-N 3.31Å; A260-E262 PolarHBondContact O-N 2.96Å; A260-A263 PolarHBondContact O-N 3.19Å; A260-G264 PolarHBondContact O-N 3.47Å; A260-F287 CarbonylContact C-O 3.48Å; A260-P291 HydrophobicContact CB-CB 3.92Å; A260-P291 HydrophobicContact CB-CG 3.69Å
261L87.9Confident78.8Confident0 Ų013 Ų130%06%0.056CC..Hα-helixtrans-66.8-36174.2-58176.1000111S257 G258 G264 W265 F287 V288 P291 A331 A334 F335S257-L261 WeakPolarHBondContact O-CB 3.15Å; S257-L261 WeakPolarHBondContact O-CD1 3.1Å; S257-L261 WeakPolarHBondContact O-CG 3.46Å; G258-L261 PolarHBondContact O-N 3.46Å; L261-G264 PolarHBondContact O-N 2.92Å; L261-W265 PolarHBondContact O-N 3.44Å; L261-F287 WeakPolarHBondContact CD2-O 3.16Å; L261-V288 VanDerWaalsContact CD2-CA 3.45Å; L261-V288 HydrophobicContact CD2-CB 4.14Å; L261-V288 HydrophobicContact CD2-CG1 4.01Å; L261-V288 HydrophobicContact CD2-CG2 4.39Å; L261-V288 VanDerWaalsContact CD2-O 3.3Å; L261-V288 WeakPolarHBondContact CD2-O 3.48Å; L261-P291 HydrophobicContact CD2-CB 4.44Å; L261-A331 VanDerWaalsContact CD1-CA 3.4Å; L261-A331 HydrophobicContact CD1-CB 3.3Å; L261-A334 HydrophobicContact CB-CB 3.86Å; L261-A334 HydrophobicContact CD2-CB 4.42Å; L261-F335 HydrophobicContact CD1-CE2 4.48Å
262E89.8Confident79.2Confident15 Ų1512.7 Ų12.77%0.077%0.065CC..Hα-helixtrans-61.4-47.8175.3-170.8170.5-146.200111.7M192 G258 H259 A260 G264 W265 F266 E330 H394 R397M192-E262 HydrophobicContact CE-CB 3.84Å; M192-E262 HydrophobicContact CE-CG 3.91Å; G258-E262 VanDerWaalsContact O-CB 3.28Å; G258-E262 WeakPolarHBondContact O-CB 3.44Å; G258-E262 PolarHBondContact O-N 3.11Å; H259-E262 IonicContact CD2-OE2 2.67Å; H259-E262 PolarHBondContact O-N 2.94Å; A260-E262 VanDerWaalsContact C-N 3.31Å; A260-E262 PolarHBondContact O-N 2.96Å; E262-G264 VanDerWaalsContact C-N 3.31Å; E262-G264 PolarHBondContact O-N 3.02Å; E262-W265 VanDerWaalsContact CA-CD1 3.43Å; E262-W265 HydrophobicContact CG-CZ2 4.16Å; E262-W265 PolarHBondContact O-N 3.13Å; E262-F266 HydrophobicContact CG-CD2 4.16Å; E262-F266 HydrophobicContact CG-CE2 3.66Å; E262-F266 HydrophobicContact CG-CZ 4.04Å; E262-F266 WeakPolarHBondContact O-CD2 3.48Å; E262-F266 WeakPolarHBondContact O-CG 3.32Å; E262-F266 PolarHBondContact O-N 3.03Å; E262-E330 HydrophobicContact CB-CB 4.28Å; E262-E330 HydrophobicContact CB-CG 4.07Å; E262-E330 HydrophobicContact CG-CG 4.35Å; E262-H394 IonicContact OE1-CE1 3.96Å; E262-R397 IonicContact OE1-CZ 3.07Å; E262-R397 IonicContact OE1-NH1 2.97Å; E262-R397 PolarHBondContact OE1-NH1 3.02Å; E262-R397 IonicContact OE1-NH2 2.77Å; E262-R397 PolarHBondContact OE1-NH2 3.34Å
263A89.6Confident79.6Confident0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-60.9-42.8172.600000110.7M188 M192 I223 H259 A260 W265 F266 L267 F287M188-A263 HydrophobicContact CE-CB 4.47Å; M188-A263 HydrophobicContact SD-CB 4.33Å; M192-A263 HydrophobicContact CE-CB 3.96Å; M192-A263 HydrophobicContact CG-CB 3.92Å; M192-A263 HydrophobicContact SD-CB 3.85Å; I223-A263 HydrophobicContact CG2-CB 4.3Å; H259-A263 VanDerWaalsContact O-CB 3.31Å; H259-A263 WeakPolarHBondContact O-CB 3.45Å; H259-A263 PolarHBondContact O-N 3.39Å; A260-A263 PolarHBondContact O-N 3.19Å; A263-W265 PolarHBondContact O-N 3.05Å; A263-F266 PolarHBondContact O-N 3.45Å; A263-L267 WeakPolarHBondContact O-CB 3.46Å; A263-L267 VanDerWaalsContact O-CG 3.25Å; A263-L267 WeakPolarHBondContact O-CG 3.37Å; A263-L267 PolarHBondContact O-N 2.79Å; A263-F287 HydrophobicContact CB-CD1 4.02Å; A263-F287 HydrophobicContact CB-CE1 4.28Å
264G89.8Confident80.5Confident0 Ų020.5 Ų20.50%011%0.107CC..Hα-helixtrans-56.7-49.1178.500000112.4A260 L261 E262 L267 L268 F287A260-G264 PolarHBondContact O-N 3.47Å; L261-G264 PolarHBondContact O-N 2.92Å; E262-G264 VanDerWaalsContact C-N 3.31Å; E262-G264 PolarHBondContact O-N 3.02Å; G264-L267 PolarHBondContact O-N 2.59Å; G264-L268 WeakPolarHBondContact O-CB 3.03Å; G264-L268 VanDerWaalsContact O-CG 3.31Å; G264-L268 WeakPolarHBondContact O-CG 3.46Å; G264-L268 PolarHBondContact O-N 2.91Å; G264-F287 VanDerWaalsContact CA-CB 3.43Å
265W92.6Very high82Confident5 Ų526.6 Ų26.62%0.01914%0.14CC..Hα-helixtrans-73.3-30.8178.276.3-112.2000113L261 E262 A263 L268 R269 E330 V333 A334 M337 M401L261-W265 PolarHBondContact O-N 3.44Å; E262-W265 VanDerWaalsContact CA-CD1 3.43Å; E262-W265 HydrophobicContact CG-CZ2 4.16Å; E262-W265 PolarHBondContact O-N 3.13Å; A263-W265 PolarHBondContact O-N 3.05Å; W265-L268 PolarHBondContact O-N 2.78Å; W265-R269 WeakPolarHBondContact O-CB 3.43Å; W265-R269 PolarHBondContact O-N 3.23Å; W265-E330 PolarHBondContact NE1-OE2 2.82Å; W265-V333 HydrophobicContact CB-CG1 4.46Å; W265-V333 HydrophobicContact CD2-CG1 4.13Å; W265-V333 HydrophobicContact CG-CG1 4.06Å; W265-A334 HydrophobicContact CB-CB 4.09Å; W265-M337 HydrophobicContact CB-SD 4.17Å; W265-M401 HydrophobicContact CE3-CE 4Å; W265-M401 HydrophobicContact CH2-CE 4.09Å; W265-M401 HydrophobicContact CH2-SD 4.22Å; W265-M401 HydrophobicContact CZ3-CE 3.69Å; W265-M401 HydrophobicContact CZ3-SD 4.42Å
266F93.3Very high84Confident2 Ų229.9 Ų29.91%0.00916%0.157CC..Hα-helixtrans-61.3-43.9169.2-73.9-35.8000112M192 L195 C196 Q199 E262 A263 R269 Y270M192-F266 HydrophobicContact CB-CD2 4.46Å; M192-F266 HydrophobicContact CE-CD2 4.41Å; M192-F266 HydrophobicContact CE-CE2 4.35Å; L195-F266 HydrophobicContact CD2-CB 4.11Å; C196-F266 HydrophobicContact CB-CE1 3.98Å; C196-F266 HydrophobicContact CB-CE2 4.15Å; C196-F266 HydrophobicContact CB-CZ 3.74Å; Q199-F266 PolarHBondContact NE2-O 2.83Å; E262-F266 HydrophobicContact CG-CD2 4.16Å; E262-F266 HydrophobicContact CG-CE2 3.66Å; E262-F266 HydrophobicContact CG-CZ 4.04Å; E262-F266 WeakPolarHBondContact O-CD2 3.48Å; E262-F266 WeakPolarHBondContact O-CG 3.32Å; E262-F266 PolarHBondContact O-N 3.03Å; A263-F266 PolarHBondContact O-N 3.45Å; F266-R269 PolarHBondContact O-N 3.38Å; F266-Y270 PolarHBondContact O-N 3.47Å
267L92.7Very high86.1Confident0 Ų037.6 Ų37.60%019%0.191CC..Hα-helixtrans-65.6-41.1175.6-69.2178.6000111.4L195 V220 I223 A263 G264 R269 Y270 A271 L279 A283 F287L195-L267 HydrophobicContact CD2-CD2 4.13Å; V220-L267 HydrophobicContact CB-CD2 4.29Å; V220-L267 HydrophobicContact CG1-CD2 4.08Å; V220-L267 HydrophobicContact CG2-CD2 3.86Å; I223-L267 HydrophobicContact CD1-CD2 4.17Å; I223-L267 HydrophobicContact CG2-CD1 3.85Å; I223-L267 HydrophobicContact CG2-CD2 4.33Å; I223-L267 HydrophobicContact CG2-CG 4.31Å; A263-L267 WeakPolarHBondContact O-CB 3.46Å; A263-L267 VanDerWaalsContact O-CG 3.25Å; A263-L267 WeakPolarHBondContact O-CG 3.37Å; A263-L267 PolarHBondContact O-N 2.79Å; G264-L267 PolarHBondContact O-N 2.59Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 2.98Å; L267-Y270 PolarHBondContact O-N 3.46Å; L267-A271 VanDerWaalsContact O-CB 3.22Å; L267-A271 WeakPolarHBondContact O-CB 3.23Å; L267-A271 PolarHBondContact O-N 2.94Å; L267-L279 HydrophobicContact CD2-CD1 4.35Å; L267-A283 HydrophobicContact CB-CB 3.77Å; L267-A283 HydrophobicContact CD1-CB 4.4Å; L267-F287 HydrophobicContact CD1-CD2 3.7Å; L267-F287 HydrophobicContact CD1-CE2 3.6Å; L267-F287 HydrophobicContact CD1-CG 4.18Å; L267-F287 HydrophobicContact CD1-CZ 4.06Å
268L92.6Very high88.1Confident0 Ų044 Ų440%022%0.22CC..Hα-helixtrans-61.4-39.4175.1-76.8170.5000112.2G264 W265 A272 Q280 A283 I284 V288 M337 A338 Q341G264-L268 WeakPolarHBondContact O-CB 3.03Å; G264-L268 VanDerWaalsContact O-CG 3.31Å; G264-L268 WeakPolarHBondContact O-CG 3.46Å; G264-L268 PolarHBondContact O-N 2.91Å; W265-L268 PolarHBondContact O-N 2.78Å; L268-A272 WeakPolarHBondContact O-CB 3.34Å; L268-A272 PolarHBondContact O-N 3.38Å; L268-Q280 HydrophobicContact CD2-CB 4.48Å; L268-Q280 HydrophobicContact CD2-CG 3.93Å; L268-A283 HydrophobicContact CD2-CB 4.02Å; L268-A283 HydrophobicContact CG-CB 3.93Å; L268-I284 HydrophobicContact CD1-CG1 4.22Å; L268-I284 HydrophobicContact CD2-CD1 3.99Å; L268-I284 HydrophobicContact CD2-CG1 3.62Å; L268-I284 HydrophobicContact CG-CG1 4.43Å; L268-V288 HydrophobicContact CD1-CG2 4.39Å; L268-M337 HydrophobicContact CB-CE 4.49Å; L268-M337 HydrophobicContact CB-CG 4.4Å; L268-M337 HydrophobicContact CB-SD 4.13Å; L268-A338 HydrophobicContact CD1-CB 3.97Å; L268-Q341 PolarHBondContact O-NE2 3.48Å
269R91.7Very high89.5Confident67 Ų6744.1 Ų44.125%0.25322%0.221SC..Hα-helixtrans-64.3-48.8174.1-172.5175.3178.7-177.50.4111.1E203 W265 F266 L267 A271 A272 D273 M337E203-R269 IonicContact OE2-NH2 3.38Å; E203-R269 PolarHBondContact OE2-NH2 3.07Å; W265-R269 WeakPolarHBondContact O-CB 3.43Å; W265-R269 PolarHBondContact O-N 3.23Å; F266-R269 PolarHBondContact O-N 3.38Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 2.98Å; R269-A271 VanDerWaalsContact C-N 3.31Å; R269-A271 PolarHBondContact O-N 2.85Å; R269-A272 PolarHBondContact O-N 2.78Å; R269-D273 PolarHBondContact O-N 3.04Å; R269-M337 HydrophobicContact CB-CE 3.72Å; R269-M337 HydrophobicContact CG-CE 4.25Å
270Y91.6Very high90.1Very high31 Ų3144.4 Ų44.412%0.12222%0.222CC..Hα-helixtrans-62-40.1178.1-173.6-91.8000112.2L195 S217 V220 F266 L267 A272 D273 N274 L279L195-Y270 HydrophobicContact CD1-CD2 3.7Å; L195-Y270 HydrophobicContact CD1-CE2 4.24Å; L195-Y270 HydrophobicContact CD1-CG 4.25Å; S217-Y270 PolarHBondContact N-OH 3.48Å; V220-Y270 HydrophobicContact CG2-CD1 3.59Å; V220-Y270 HydrophobicContact CG2-CE1 3.72Å; V220-Y270 HydrophobicContact CG2-CG 4.01Å; F266-Y270 PolarHBondContact O-N 3.47Å; L267-Y270 PolarHBondContact O-N 3.46Å; Y270-A272 VanDerWaalsContact C-N 3.35Å; Y270-D273 PolarHBondContact O-N 3.22Å; Y270-N274 WeakPolarHBondContact CE1-ND2 3.43Å; Y270-N274 PolarHBondContact O-N 2.57Å; Y270-N274 VanDerWaalsContact O-N 3.11Å; Y270-N274 PolarHBondContact O-ND2 2.78Å; Y270-L279 HydrophobicContact CD1-CD2 3.73Å; Y270-L279 HydrophobicContact CE1-CD2 4.4Å
271A90.9Very high90.3Very high2 Ų251 Ų512%0.01725%0.247CC..Hα-helixtrans-63.1-40.4176.400000111.9L267 R269 N274 N275 N276 L279 Q280L267-A271 VanDerWaalsContact O-CB 3.22Å; L267-A271 WeakPolarHBondContact O-CB 3.23Å; L267-A271 PolarHBondContact O-N 2.94Å; R269-A271 VanDerWaalsContact C-N 3.31Å; R269-A271 PolarHBondContact O-N 2.85Å; A271-N274 CarbonylContact O-C 3.53Å; A271-N274 PolarHBondContact O-N 3.41Å; A271-N275 CarbonylContact O-C 3.59Å; A271-N275 WeakPolarHBondContact O-CA 3.36Å; A271-N275 PolarHBondContact O-N 3.34Å; A271-N276 PolarHBondContact O-N 3.11Å; A271-L279 HydrophobicContact CB-CB 4.12Å; A271-L279 HydrophobicContact CB-CD2 4Å; A271-L279 HydrophobicContact CB-CG 4.04Å; A271-Q280 HydrophobicContact CB-CB 4.07Å
272A88.6Confident90.5Very high46 Ų4652.3 Ų52.338%0.3826%0.255SS..Hα-helixtrans-64.3-46.3175.600000111.8L268 R269 Y270 N274 N275L268-A272 WeakPolarHBondContact O-CB 3.34Å; L268-A272 PolarHBondContact O-N 3.38Å; R269-A272 PolarHBondContact O-N 2.78Å; Y270-A272 VanDerWaalsContact C-N 3.35Å; A272-N274 PolarHBondContact O-N 3.27Å; A272-N275 PolarHBondContact O-N 3.41Å
273D86.4Confident90.5Very high107 Ų10751.6 Ų51.657%0.57225%0.252SS*.Hα-helixtrans-62.5-32179.5-68.2-21.1000112.4R269 Y270R269-D273 PolarHBondContact O-N 3.04Å; Y270-D273 PolarHBondContact O-N 3.22Å
274N86.3Confident90.6Very high88 Ų8852.1 Ų52.147%0.47125%0.254SS..THydrogen-bonded Turntrans-102.24.2-178.6-67.5-84.8000114.2Y270 A271 A272 N276Y270-N274 WeakPolarHBondContact CE1-ND2 3.43Å; Y270-N274 PolarHBondContact O-N 2.57Å; Y270-N274 VanDerWaalsContact O-N 3.11Å; Y270-N274 PolarHBondContact O-ND2 2.78Å; A271-N274 CarbonylContact O-C 3.53Å; A271-N274 PolarHBondContact O-N 3.41Å; A272-N274 PolarHBondContact O-N 3.27Å; N274-N276 PolarHBondContact O-N 3.46Å
275N87.1Confident90.6Very high145 Ų14556.2 Ų56.278%0.77527%0.273SS*.THydrogen-bonded Turntrans50.834.7-173.4-67.7-68.2000114.6A271 A272 K277A271-N275 CarbonylContact O-C 3.59Å; A271-N275 WeakPolarHBondContact O-CA 3.36Å; A271-N275 PolarHBondContact O-N 3.34Å; A272-N275 PolarHBondContact O-N 3.41Å; N275-K277 PolarHBondContact O-N 2.87Å
276N90.3Very high90.4Very high69 Ų6958.8 Ų58.837%0.36929%0.285SS..  trans-91.493.6-178.3-171.5-19.2000111.7A271 N274 E278 L279 Q280A271-N276 PolarHBondContact O-N 3.11Å; N274-N276 PolarHBondContact O-N 3.46Å; N276-E278 VanDerWaalsContact C-N 3.33Å; N276-E278 PolarHBondContact O-N 3.17Å; N276-E278 PolarHBondContact OD1-N 2.92Å; N276-L279 HydrophobicContact CB-CB 4.05Å; N276-L279 PolarHBondContact O-N 3.04Å; N276-L279 PolarHBondContact OD1-N 3.5Å; N276-Q280 PolarHBondContact O-N 3.38Å
277K90.6Very high90.1Very high169 Ų16958.7 Ų58.774%0.73528%0.284SS*.Hα-helixtrans-66.3-30.3-179.5-66.1-173.2178.1-176.90114.2N275 R281N275-K277 PolarHBondContact O-N 2.87Å; K277-R281 PolarHBondContact O-N 2.84Å
278E91.2Very high89.9Confident134 Ų13458.7 Ų58.763%0.62628%0.284SS*.Hα-helixtrans-69.2-46178.4-177.2173.8-166.600110.3N276 Q280 R281 T282N276-E278 VanDerWaalsContact C-N 3.33Å; N276-E278 PolarHBondContact O-N 3.17Å; N276-E278 PolarHBondContact OD1-N 2.92Å; E278-Q280 VanDerWaalsContact C-N 3.31Å; E278-Q280 PolarHBondContact O-N 3.34Å; E278-R281 PolarHBondContact O-N 3.43Å; E278-T282 PolarHBondContact O-N 3.07Å; E278-T282 PolarHBondContact O-OG1 2.93Å; E278-T282 VanDerWaalsContact O-OG1 3.13Å
279L91.5Very high89.8Confident4 Ų461.2 Ų61.22%0.02130%0.296CS..Hα-helixtrans-61.7-40.6174.9-178.262.1000111.8V220 L267 Y270 A271 N276 R281 T282 A283V220-L279 HydrophobicContact CG1-CD1 3.69Å; V220-L279 HydrophobicContact CG1-CD2 3.87Å; V220-L279 HydrophobicContact CG1-CG 4.45Å; V220-L279 HydrophobicContact CG2-CD2 4.34Å; L267-L279 HydrophobicContact CD2-CD1 4.35Å; Y270-L279 HydrophobicContact CD1-CD2 3.73Å; Y270-L279 HydrophobicContact CE1-CD2 4.4Å; A271-L279 HydrophobicContact CB-CB 4.12Å; A271-L279 HydrophobicContact CB-CD2 4Å; A271-L279 HydrophobicContact CB-CG 4.04Å; N276-L279 HydrophobicContact CB-CB 4.05Å; N276-L279 PolarHBondContact O-N 3.04Å; N276-L279 PolarHBondContact OD1-N 3.5Å; L279-R281 PolarHBondContact O-N 3.21Å; L279-T282 PolarHBondContact O-N 3.09Å; L279-A283 VanDerWaalsContact O-CB 3.31Å; L279-A283 WeakPolarHBondContact O-CB 2.95Å; L279-A283 PolarHBondContact O-N 3.5Å
280Q91.6Very high89.6Confident48 Ų4859.8 Ų59.822%0.22429%0.293CS..Hα-helixtrans-56.8-49.2174.9174-177.557.300111.7L268 A271 N276 E278 A283 I284L268-Q280 HydrophobicContact CD2-CB 4.48Å; L268-Q280 HydrophobicContact CD2-CG 3.93Å; A271-Q280 HydrophobicContact CB-CB 4.07Å; N276-Q280 PolarHBondContact O-N 3.38Å; E278-Q280 VanDerWaalsContact C-N 3.31Å; E278-Q280 PolarHBondContact O-N 3.34Å; Q280-A283 PolarHBondContact O-N 3.35Å; Q280-I284 HydrophobicContact CG-CD1 4.26Å; Q280-I284 WeakPolarHBondContact O-CG1 3.44Å; Q280-I284 PolarHBondContact O-N 3.43Å; Q280-I284 VanDerWaalsContact O-N 3.09Å
281R91.1Very high89.4Confident139 Ų13958.3 Ų58.353%0.52529%0.287SS..Hα-helixtrans-61.2-47.8177.8-177.4-179.262.2-175.2-1.8111.3K277 E278 L279 A283 I284 E285K277-R281 PolarHBondContact O-N 2.84Å; E278-R281 PolarHBondContact O-N 3.43Å; L279-R281 PolarHBondContact O-N 3.21Å; R281-A283 VanDerWaalsContact C-N 3.31Å; R281-A283 PolarHBondContact O-N 3.42Å; R281-I284 PolarHBondContact O-N 2.89Å; R281-E285 VanDerWaalsContact CD-OE1 3.28Å; R281-E285 WeakPolarHBondContact CD-OE1 3.47Å; R281-E285 VanDerWaalsContact CG-CD 3.48Å; R281-E285 HydrophobicContact CG-CG 4.18Å; R281-E285 WeakPolarHBondContact CG-OE1 3.14Å; R281-E285 WeakPolarHBondContact O-CG 3.44Å; R281-E285 PolarHBondContact O-N 3.37Å
282T90.3Very high89.3Confident27 Ų2758.4 Ų58.417%0.16629%0.288CS..Hα-helixtrans-59.7-41.4178.2-59.60000111.9I227 E278 L279 I284 K286I227-T282 HydrophobicContact CD1-CG2 3.91Å; E278-T282 PolarHBondContact O-N 3.07Å; E278-T282 PolarHBondContact O-OG1 2.93Å; E278-T282 VanDerWaalsContact O-OG1 3.13Å; L279-T282 PolarHBondContact O-N 3.09Å; T282-I284 PolarHBondContact O-N 3.21Å; T282-K286 HydrophobicContact CG2-CB 4.47Å; T282-K286 HydrophobicContact CG2-CG 4.14Å; T282-K286 WeakPolarHBondContact O-CA 3.49Å; T282-K286 WeakPolarHBondContact O-CB 3.34Å; T282-K286 PolarHBondContact O-N 3Å
283A91.2Very high89.2Confident0 Ų062.8 Ų62.80%030%0.3CS..Iπ-helixtrans-63.2-41.5177.800000112L267 L268 L279 Q280 R281 F287 V288L267-A283 HydrophobicContact CB-CB 3.77Å; L267-A283 HydrophobicContact CD1-CB 4.4Å; L268-A283 HydrophobicContact CD2-CB 4.02Å; L268-A283 HydrophobicContact CG-CB 3.93Å; L279-A283 VanDerWaalsContact O-CB 3.31Å; L279-A283 WeakPolarHBondContact O-CB 2.95Å; L279-A283 PolarHBondContact O-N 3.5Å; Q280-A283 PolarHBondContact O-N 3.35Å; R281-A283 VanDerWaalsContact C-N 3.31Å; R281-A283 PolarHBondContact O-N 3.42Å; A283-F287 CarbonylContact O-C 3.57Å; A283-F287 WeakPolarHBondContact O-CA 3.31Å; A283-F287 VanDerWaalsContact O-CB 3.26Å; A283-F287 WeakPolarHBondContact O-CB 3.25Å; A283-F287 PolarHBondContact O-N 3.26Å; A283-V288 PolarHBondContact O-N 3.06Å; A283-V288 VanDerWaalsContact O-N 3.12Å
284I90.6Very high89.1Confident11 Ų1160.2 Ų60.26%0.05629%0.29CS..Iπ-helixtrans-69.6-54.6178.6-63.6172.7000110.9L268 Q280 R281 T282 K286 V288 E289 A338 T342 L347L268-I284 HydrophobicContact CD1-CG1 4.22Å; L268-I284 HydrophobicContact CD2-CD1 3.99Å; L268-I284 HydrophobicContact CD2-CG1 3.62Å; L268-I284 HydrophobicContact CG-CG1 4.43Å; Q280-I284 HydrophobicContact CG-CD1 4.26Å; Q280-I284 WeakPolarHBondContact O-CG1 3.44Å; Q280-I284 PolarHBondContact O-N 3.43Å; Q280-I284 VanDerWaalsContact O-N 3.09Å; R281-I284 PolarHBondContact O-N 2.89Å; T282-I284 PolarHBondContact O-N 3.21Å; I284-K286 PolarHBondContact O-N 2.91Å; I284-V288 WeakPolarHBondContact O-CA 3.35Å; I284-V288 VanDerWaalsContact O-CB 3.31Å; I284-V288 WeakPolarHBondContact O-CB 3.38Å; I284-V288 PolarHBondContact O-N 3.13Å; I284-V288 VanDerWaalsContact O-N 3.13Å; I284-E289 HydrophobicContact CG2-CG 4.29Å; I284-E289 PolarHBondContact O-N 2.86Å; I284-A338 HydrophobicContact CD1-CB 4.13Å; I284-A338 HydrophobicContact CG1-CB 3.97Å; I284-T342 HydrophobicContact CD1-CG2 3.32Å; I284-L347 HydrophobicContact CG2-CD1 4.08Å; I284-L347 HydrophobicContact CG2-CD2 4.27Å
285E89.8Confident89.1Confident86 Ų8656 Ų5640%0.40227%0.268SS..Iπ-helixtrans-66.9-41.7-174-67.8174.4-176.500112R281 L290R281-E285 VanDerWaalsContact CD-OE1 3.28Å; R281-E285 WeakPolarHBondContact CD-OE1 3.47Å; R281-E285 VanDerWaalsContact CG-CD 3.48Å; R281-E285 HydrophobicContact CG-CG 4.18Å; R281-E285 WeakPolarHBondContact CG-OE1 3.14Å; R281-E285 WeakPolarHBondContact O-CG 3.44Å; R281-E285 PolarHBondContact O-N 3.37Å; E285-L290 WeakPolarHBondContact O-CB 3.44Å; E285-L290 PolarHBondContact O-N 3.28Å
286K88.5Confident89.3Confident60 Ų6050 Ų5026%0.26123%0.234SC..Iπ-helixtrans-98.7-30.3-170.9-54.6-56.7-173.9-177.90114.5I227 G231 I234 T282 I284 P291I227-K286 HydrophobicContact CD1-CB 4.37Å; I227-K286 HydrophobicContact CD1-CG 4.49Å; G231-K286 WeakPolarHBondContact O-CD 3.28Å; G231-K286 PolarHBondContact O-NZ 2.86Å; I234-K286 WeakPolarHBondContact CG1-O 3.17Å; T282-K286 HydrophobicContact CG2-CB 4.47Å; T282-K286 HydrophobicContact CG2-CG 4.14Å; T282-K286 WeakPolarHBondContact O-CA 3.49Å; T282-K286 WeakPolarHBondContact O-CB 3.34Å; T282-K286 PolarHBondContact O-N 3Å; I284-K286 PolarHBondContact O-N 2.91Å; K286-P291 VanDerWaalsContact O-CD 3.23Å; K286-P291 WeakPolarHBondContact O-CD 3.48Å
287F88Confident89.3Confident0 Ų047 Ų470%022%0.219CC..Iπ-helixtrans-109.6-11.8-177.6-69.4-91.3000113.6M188 I223 I227 I234 A260 L261 A263 G264 L267 A283 P291M188-F287 HydrophobicContact SD-CE1 4.22Å; I223-F287 HydrophobicContact CG2-CE1 3.69Å; I223-F287 HydrophobicContact CG2-CE2 4.43Å; I223-F287 HydrophobicContact CG2-CZ 3.57Å; I227-F287 HydrophobicContact CD1-CE2 3.79Å; I227-F287 HydrophobicContact CD1-CZ 4.24Å; I227-F287 HydrophobicContact CG1-CE2 3.84Å; I227-F287 HydrophobicContact CG1-CZ 3.84Å; I234-F287 HydrophobicContact CD1-CD1 4.34Å; I234-F287 HydrophobicContact CD1-CE1 4.04Å; I234-F287 HydrophobicContact CD1-CZ 4.13Å; I234-F287 HydrophobicContact CG1-CD1 4.37Å; I234-F287 HydrophobicContact CG1-CE1 4.39Å; I234-F287 HydrophobicContact CG2-CE1 4.15Å; A260-F287 CarbonylContact C-O 3.48Å; L261-F287 WeakPolarHBondContact CD2-O 3.16Å; A263-F287 HydrophobicContact CB-CD1 4.02Å; A263-F287 HydrophobicContact CB-CE1 4.28Å; G264-F287 VanDerWaalsContact CA-CB 3.43Å; L267-F287 HydrophobicContact CD1-CD2 3.7Å; L267-F287 HydrophobicContact CD1-CE2 3.6Å; L267-F287 HydrophobicContact CD1-CG 4.18Å; L267-F287 HydrophobicContact CD1-CZ 4.06Å; A283-F287 CarbonylContact O-C 3.57Å; A283-F287 WeakPolarHBondContact O-CA 3.31Å; A283-F287 VanDerWaalsContact O-CB 3.26Å; A283-F287 WeakPolarHBondContact O-CB 3.25Å; A283-F287 PolarHBondContact O-N 3.26Å; F287-P291 WeakPolarHBondContact O-CG 3.45Å
288V88.6Confident89.2Confident0 Ų047.7 Ų47.70%022%0.222CC..Iπ-helixtrans-109.9-62.4177.2-177.30000112.4L261 L268 A283 I284 F292 A334 F335L261-V288 VanDerWaalsContact CD2-CA 3.45Å; L261-V288 HydrophobicContact CD2-CB 4.14Å; L261-V288 HydrophobicContact CD2-CG1 4.01Å; L261-V288 HydrophobicContact CD2-CG2 4.39Å; L261-V288 VanDerWaalsContact CD2-O 3.3Å; L261-V288 WeakPolarHBondContact CD2-O 3.48Å; L268-V288 HydrophobicContact CD1-CG2 4.39Å; A283-V288 PolarHBondContact O-N 3.06Å; A283-V288 VanDerWaalsContact O-N 3.12Å; I284-V288 WeakPolarHBondContact O-CA 3.35Å; I284-V288 VanDerWaalsContact O-CB 3.31Å; I284-V288 WeakPolarHBondContact O-CB 3.38Å; I284-V288 PolarHBondContact O-N 3.13Å; I284-V288 VanDerWaalsContact O-N 3.13Å; V288-F292 WeakPolarHBondContact O-CB 3.47Å; V288-F292 PolarHBondContact O-N 2.76Å; V288-A334 HydrophobicContact CG2-CB 4.24Å; V288-F335 HydrophobicContact CG1-CD1 3.76Å; V288-F335 HydrophobicContact CG1-CE1 3.54Å; V288-F335 HydrophobicContact CG1-CG 4.39Å; V288-F335 HydrophobicContact CG1-CZ 4.01Å
289E89.8Confident89.1Confident52 Ų5245.2 Ų45.224%0.24322%0.224CC..Iπ-helixtrans-72.6-54.8-172.5-67.1175.915200112.3I284 F292 E293 L347I284-E289 HydrophobicContact CG2-CG 4.29Å; I284-E289 PolarHBondContact O-N 2.86Å; E289-F292 PolarHBondContact O-N 2.86Å; E289-F292 VanDerWaalsContact O-N 3.11Å; E289-E293 WeakPolarHBondContact O-CG 3.25Å; E289-E293 PolarHBondContact O-N 2.67Å; E289-L347 HydrophobicContact CG-CD2 3.88Å; E289-L347 WeakPolarHBondContact OE1-CD2 3.46Å
290L87.7Confident89.1Confident37 Ų3749 Ų4919%0.19424%0.242CC..Hα-helixtrans-55.5-50.7-178.5170.276.9000112.2E285 F292 E293 S294E285-L290 WeakPolarHBondContact O-CB 3.44Å; E285-L290 PolarHBondContact O-N 3.28Å; L290-F292 PolarHBondContact O-N 2.92Å; L290-E293 PolarHBondContact O-N 2.95Å; L290-S294 PolarHBondContact O-N 2.67Å; L290-S294 PolarHBondContact O-OG 3.07Å
291P87.1Confident89Confident0 Ų047.4 Ų47.40%024%0.238CC..Hα-helixtrans-52.4-55.6172.3-34.943000111.8I234 D256 A260 L261 K286 F287 E293 S294 G295I234-P291 HydrophobicContact CG1-CG 4.4Å; D256-P291 HydrophobicContact CB-CB 4.04Å; D256-P291 WeakPolarHBondContact CB-O 3.45Å; D256-P291 CarbonylContact O-C 3.55Å; D256-P291 WeakPolarHBondContact O-CA 3.42Å; D256-P291 WeakPolarHBondContact O-CB 3.48Å; D256-P291 WeakPolarHBondContact OD1-CA 3.44Å; A260-P291 HydrophobicContact CB-CB 3.92Å; A260-P291 HydrophobicContact CB-CG 3.69Å; L261-P291 HydrophobicContact CD2-CB 4.44Å; K286-P291 VanDerWaalsContact O-CD 3.23Å; K286-P291 WeakPolarHBondContact O-CD 3.48Å; F287-P291 WeakPolarHBondContact O-CG 3.45Å; P291-E293 PolarHBondContact O-N 3.34Å; P291-E293 VanDerWaalsContact O-N 3.12Å; P291-S294 PolarHBondContact O-N 3.19Å; P291-S294 VanDerWaalsContact O-N 3.13Å; P291-S294 PolarHBondContact O-OG 3.14Å; P291-G295 PolarHBondContact O-N 2.63Å
292F88.8Confident89Confident5 Ų540.8 Ų40.82%0.02221%0.213CC..Hα-helixtrans-58.2-36.1-174.4178.5-105.1000113.4D256 V288 E289 L290 W296 L303 F335 N350 V354D256-F292 PolarHBondContact O-N 3.47Å; V288-F292 WeakPolarHBondContact O-CB 3.47Å; V288-F292 PolarHBondContact O-N 2.76Å; E289-F292 PolarHBondContact O-N 2.86Å; E289-F292 VanDerWaalsContact O-N 3.11Å; L290-F292 PolarHBondContact O-N 2.92Å; F292-W296 HydrophobicContact CD2-CE3 4.17Å; F292-W296 HydrophobicContact CE2-CD2 4.02Å; F292-W296 AromaticContact CE2-CE3 3.3Å; F292-W296 HydrophobicContact CE2-CE3 3.3Å; F292-W296 AromaticContact CE2-CZ3 3.83Å; F292-W296 HydrophobicContact CE2-CZ3 3.83Å; F292-W296 HydrophobicContact CZ-CD2 4.11Å; F292-W296 AromaticContact CZ-CE3 3.8Å; F292-W296 HydrophobicContact CZ-CE3 3.8Å; F292-W296 HydrophobicContact CZ-CG 4.5Å; F292-W296 HydrophobicContact CZ-CZ3 4.31Å; F292-W296 WeakPolarHBondContact O-CB 3.26Å; F292-W296 PolarHBondContact O-N 2.96Å; F292-W296 VanDerWaalsContact O-N 3.15Å; F292-L303 HydrophobicContact CD2-CD2 4.08Å; F292-L303 HydrophobicContact CE2-CD2 4.45Å; F292-F335 HydrophobicContact CB-CE2 4.2Å; F292-F335 HydrophobicContact CB-CZ 3.59Å; F292-F335 HydrophobicContact CD1-CE2 4.4Å; F292-F335 AromaticContact CD1-CZ 3.75Å; F292-F335 HydrophobicContact CD1-CZ 3.75Å; F292-F335 AromaticContact CD2-CE2 3.54Å; F292-F335 HydrophobicContact CD2-CE2 3.54Å; F292-F335 AromaticContact CD2-CZ 3.66Å; F292-F335 HydrophobicContact CD2-CZ 3.66Å; F292-F335 HydrophobicContact CE1-CZ 4.29Å; F292-F335 AromaticContact CE2-CE2 3.9Å; F292-F335 HydrophobicContact CE2-CE2 3.9Å; F292-F335 HydrophobicContact CE2-CZ 4.21Å; F292-F335 AromaticContact CG-CE2 3.81Å; F292-F335 HydrophobicContact CG-CE2 3.81Å; F292-F335 AromaticContact CG-CZ 3.39Å; F292-F335 HydrophobicContact CG-CZ 3.39Å; F292-F335 HydrophobicContact CZ-CE2 4.47Å; F292-F335 HydrophobicContact CZ-CZ 4.49Å; F292-N350 HydrophobicContact CE1-CB 3.97Å; F292-N350 WeakPolarHBondContact CE1-OD1 3.32Å; F292-N350 HydrophobicContact CZ-CB 4.31Å; F292-V354 HydrophobicContact CD2-CG2 4.32Å; F292-V354 HydrophobicContact CE2-CG2 3.48Å; F292-V354 VanDerWaalsContact CE2-CG2 3.48Å; F292-V354 HydrophobicContact CZ-CG2 4.1Å
293E87.3Confident89Confident138 Ų13839.5 Ų39.565%0.64521%0.205SC*.Hα-helixtrans-66.3-40178.6-72.7-174.4173.300113.8E289 L290 P291E289-E293 WeakPolarHBondContact O-CG 3.25Å; E289-E293 PolarHBondContact O-N 2.67Å; L290-E293 PolarHBondContact O-N 2.95Å; P291-E293 PolarHBondContact O-N 3.34Å; P291-E293 VanDerWaalsContact O-N 3.12Å
294S84.5Confident88.9Confident52 Ų5240.8 Ų40.836%0.36421%0.211SC..Hα-helixtrans-83.8-34.5178.451.40000112.7D256 L290 P291 L307D256-S294 VanDerWaalsContact CB-OG 3.26Å; D256-S294 WeakPolarHBondContact CB-OG 3.41Å; D256-S294 WeakPolarHBondContact OD2-CB 3.28Å; D256-S294 PolarHBondContact OD2-OG 3.34Å; L290-S294 PolarHBondContact O-N 2.67Å; L290-S294 PolarHBondContact O-OG 3.07Å; P291-S294 PolarHBondContact O-N 3.19Å; P291-S294 VanDerWaalsContact O-N 3.13Å; P291-S294 PolarHBondContact O-OG 3.14Å; S294-L307 WeakPolarHBondContact O-CD1 3.49Å
295G86.4Confident88.6Confident0 Ų042.3 Ų42.30%022%0.216CC..Hα-helixtrans-80.5-20-176.100000115.2P291 L303 F304P291-G295 PolarHBondContact O-N 2.63Å; G295-L303 WeakPolarHBondContact O-CA 3.21Å; G295-F304 WeakPolarHBondContact O-CD2 3.08Å; G295-F304 PolarHBondContact O-N 3.26Å
296W90.1Very high88.4Confident18 Ų1838.9 Ų38.97%0.06820%0.2CC..BIsolated β-bridgetrans-80.2122.7-176.8-172.6-82000113.4F292 K298 L303 R353 V354 Y357F292-W296 HydrophobicContact CD2-CE3 4.17Å; F292-W296 HydrophobicContact CE2-CD2 4.02Å; F292-W296 AromaticContact CE2-CE3 3.3Å; F292-W296 HydrophobicContact CE2-CE3 3.3Å; F292-W296 AromaticContact CE2-CZ3 3.83Å; F292-W296 HydrophobicContact CE2-CZ3 3.83Å; F292-W296 HydrophobicContact CZ-CD2 4.11Å; F292-W296 AromaticContact CZ-CE3 3.8Å; F292-W296 HydrophobicContact CZ-CE3 3.8Å; F292-W296 HydrophobicContact CZ-CG 4.5Å; F292-W296 HydrophobicContact CZ-CZ3 4.31Å; F292-W296 WeakPolarHBondContact O-CB 3.26Å; F292-W296 PolarHBondContact O-N 2.96Å; F292-W296 VanDerWaalsContact O-N 3.15Å; W296-K298 PolarHBondContact O-N 3.07Å; W296-K298 VanDerWaalsContact O-N 3.13Å; W296-L303 HydrophobicContact CB-CD2 4.3Å; W296-L303 HydrophobicContact CE3-CD2 3.77Å; W296-L303 HydrophobicContact CE3-CG 4.02Å; W296-L303 HydrophobicContact CZ3-CG 4.36Å; W296-R353 HydrophobicContact CH2-CG 4.09Å; W296-R353 HydrophobicContact CZ2-CG 3.88Å; W296-V354 HydrophobicContact CZ3-CG2 4.06Å; W296-Y357 HydrophobicContact CH2-CG 4.02Å
297D90.3Very high88.1Confident8 Ų837.5 Ų37.54%0.04320%0.195CC..  trans-70.5106.1174-173.6-15.5000110.6A299 H300 G301 G302 F304 K323 Q376D297-A299 PolarHBondContact O-N 3Å; D297-A299 WeakPolarHBondContact OD1-CA 3.35Å; D297-A299 WeakPolarHBondContact OD1-CB 3.22Å; D297-A299 PolarHBondContact OD1-N 3.25Å; D297-H300 PolarHBondContact OD1-N 3.06Å; D297-H300 VanDerWaalsContact OD1-N 3.13Å; D297-H300 IonicContact OD1-ND1 2.89Å; D297-H300 IonicContact OD2-CG 2.75Å; D297-H300 IonicContact OD2-ND1 3.6Å; D297-H300 PolarHBondContact OD2-ND1 3.48Å; D297-G301 WeakPolarHBondContact O-CA 3.23Å; D297-G301 PolarHBondContact O-N 2.94Å; D297-G302 VanDerWaalsContact CB-O 3.3Å; D297-G302 WeakPolarHBondContact CB-O 3.26Å; D297-G302 PolarHBondContact N-O 3.29Å; D297-F304 HydrophobicContact CB-CD2 4.45Å; D297-F304 HydrophobicContact CB-CE1 4.07Å; D297-F304 HydrophobicContact CB-CE2 3.8Å; D297-F304 HydrophobicContact CB-CZ 3.6Å; D297-K323 IonicContact OD2-NZ 3.71Å; D297-K323 PolarHBondContact OD2-NZ 3.5Å; D297-Q376 WeakPolarHBondContact OD2-CG 3.36Å; D297-Q376 PolarHBondContact OD2-NE2 3.13Å
298K88.7Confident87.9Confident183 Ų18338 Ų3880%0.79620%0.198SC*.THydrogen-bonded Turntrans-69.4-20.3178.5-64.3179.5-176.21740113.2W296W296-K298 PolarHBondContact O-N 3.07Å; W296-K298 VanDerWaalsContact O-N 3.13Å
299A90.1Very high87.5Confident82 Ų8239.4 Ų39.468%0.67821%0.206SC*.THydrogen-bonded Turntrans-87.2-46.3-177.400000112.4D297D297-A299 PolarHBondContact O-N 3Å; D297-A299 WeakPolarHBondContact OD1-CA 3.35Å; D297-A299 WeakPolarHBondContact OD1-CB 3.22Å; D297-A299 PolarHBondContact OD1-N 3.25Å
300H90Very high87.1Confident84 Ų8440.5 Ų40.539%0.38921%0.213SC..THydrogen-bonded Turntrans-113.1-4.5-175.4-55.297.7000114.2D297 Q376D297-H300 PolarHBondContact OD1-N 3.06Å; D297-H300 VanDerWaalsContact OD1-N 3.13Å; D297-H300 IonicContact OD1-ND1 2.89Å; D297-H300 IonicContact OD2-CG 2.75Å; D297-H300 IonicContact OD2-ND1 3.6Å; D297-H300 PolarHBondContact OD2-ND1 3.48Å; H300-Q376 WeakPolarHBondContact CB-O 3.44Å
301G90.6Very high86.5Confident14 Ų1442 Ų4214%0.14424%0.239CC..  trans72.6166-170.100000112.5D297 K323 Y357D297-G301 WeakPolarHBondContact O-CA 3.23Å; D297-G301 PolarHBondContact O-N 2.94Å; G301-K323 PolarHBondContact O-NZ 3.35Å; G301-Y357 WeakPolarHBondContact O-CE2 3.34Å; G301-Y357 PolarHBondContact O-OH 2.91Å
302G89.8Confident85.9Confident0 Ų047.6 Ų47.60%026%0.264CS..SBendtrans78.7169.4-178.800000113.6D297 H328 Y357D297-G302 VanDerWaalsContact CB-O 3.3Å; D297-G302 WeakPolarHBondContact CB-O 3.26Å; D297-G302 PolarHBondContact N-O 3.29Å; G302-H328 VanDerWaalsContact CA-NE2 3.28Å; G302-H328 WeakPolarHBondContact CA-NE2 3.32Å; G302-Y357 VanDerWaalsContact CA-CZ 3.43Å
303L90.3Very high84.7Confident0 Ų051.3 Ų51.30%029%0.29CS..BIsolated β-bridgetrans-95.9133.1-172.1-67.4165.1000111.1S257 F292 G295 W296 K323 P327 H328 A331S257-L303 VanDerWaalsContact OG-CB 3.23Å; S257-L303 WeakPolarHBondContact OG-CB 3.5Å; S257-L303 WeakPolarHBondContact OG-CD1 3.36Å; S257-L303 WeakPolarHBondContact OG-CD2 3.49Å; S257-L303 WeakPolarHBondContact OG-CG 3.31Å; F292-L303 HydrophobicContact CD2-CD2 4.08Å; F292-L303 HydrophobicContact CE2-CD2 4.45Å; G295-L303 WeakPolarHBondContact O-CA 3.21Å; W296-L303 HydrophobicContact CB-CD2 4.3Å; W296-L303 HydrophobicContact CE3-CD2 3.77Å; W296-L303 HydrophobicContact CE3-CG 4.02Å; W296-L303 HydrophobicContact CZ3-CG 4.36Å; L303-K323 WeakPolarHBondContact O-CD 3.42Å; L303-P327 HydrophobicContact CD1-CB 4.42Å; L303-H328 PolarHBondContact N-CE1 3.28Å; L303-H328 PolarHBondContact N-NE2 2.97Å; L303-A331 HydrophobicContact CD1-CB 3.93Å
304F89.1Confident83.4Confident27 Ų2745.3 Ų45.312%0.11826%0.263CS..  trans-60.3167.8171.6-70.4-61.4000111.9P255 G295 D297 L307 W320 Q376P255-F304 HydrophobicContact CB-CB 4.31Å; P255-F304 HydrophobicContact CG-CB 3.86Å; P255-F304 WeakPolarHBondContact CG-O 3.28Å; G295-F304 WeakPolarHBondContact O-CD2 3.08Å; G295-F304 PolarHBondContact O-N 3.26Å; D297-F304 HydrophobicContact CB-CD2 4.45Å; D297-F304 HydrophobicContact CB-CE1 4.07Å; D297-F304 HydrophobicContact CB-CE2 3.8Å; D297-F304 HydrophobicContact CB-CZ 3.6Å; F304-L307 HydrophobicContact CB-CD2 4.43Å; F304-L307 HydrophobicContact CB-CG 4.28Å; F304-L307 HydrophobicContact CD2-CD1 4.33Å; F304-L307 HydrophobicContact CD2-CD2 4.09Å; F304-L307 HydrophobicContact CD2-CG 4.49Å; F304-L307 HydrophobicContact CG-CD2 4.35Å; F304-W320 HydrophobicContact CD1-CZ3 4.23Å; F304-W320 HydrophobicContact CE1-CZ3 4.22Å; F304-Q376 HydrophobicContact CE1-CG 4.17Å
305Y85.8Confident82Confident43 Ų4346.8 Ų46.817%0.16927%0.27CS..SBendtrans-111.9-18.4177.6-174.5-139.9000115.9N254 P255 E319 W320 M322 L324 W326N254-Y305 PolarHBondContact OD1-O 3.03Å; P255-Y305 WeakPolarHBondContact CD-O 3.48Å; Y305-E319 HydrophobicContact CD1-CB 4.27Å; Y305-E319 HydrophobicContact CD1-CG 3.65Å; Y305-E319 HydrophobicContact CE1-CG 3.7Å; Y305-W320 CarbonylContact C-O 2.77Å; Y305-W320 WeakPolarHBondContact CA-O 3.31Å; Y305-W320 PolarHBondContact N-O 2.92Å; Y305-M322 VanDerWaalsContact CB-O 3.29Å; Y305-M322 WeakPolarHBondContact CB-O 3.35Å; Y305-M322 PolarHBondContact N-O 2.87Å; Y305-L324 HydrophobicContact CD1-CD1 3.61Å; Y305-L324 HydrophobicContact CD1-CD2 3.83Å; Y305-L324 HydrophobicContact CD1-CG 4.35Å; Y305-L324 HydrophobicContact CD2-CD1 4.45Å; Y305-L324 HydrophobicContact CD2-CD2 3.99Å; Y305-L324 HydrophobicContact CE1-CD1 4.18Å; Y305-L324 HydrophobicContact CE1-CD2 3.58Å; Y305-L324 HydrophobicContact CE2-CD2 3.88Å; Y305-L324 HydrophobicContact CG-CD1 3.77Å; Y305-L324 HydrophobicContact CG-CD2 4.03Å; Y305-L324 HydrophobicContact CG-CG 4.4Å; Y305-W326 HydrophobicContact CD2-CZ2 4.34Å; Y305-W326 AromaticContact CE2-CZ2 3.74Å; Y305-W326 HydrophobicContact CE2-CZ2 3.74Å
306F84.6Confident80.8Confident14 Ų1452.3 Ų52.36%0.06130%0.296CS..  trans-146.3145.6159.1-61.8-80.1000110.1L252 N254 P255 P314 Q317 E319 W320L252-F306 HydrophobicContact CD1-CB 4.46Å; L252-F306 HydrophobicContact CD1-CD1 3.96Å; N254-F306 HydrophobicContact CB-CD1 3.75Å; N254-F306 HydrophobicContact CB-CE1 3.7Å; N254-F306 WeakPolarHBondContact OD1-CE1 3.32Å; P255-F306 VanDerWaalsContact CD-CA 3.42Å; P255-F306 VanDerWaalsContact CG-N 3.3Å; F306-P314 HydrophobicContact CB-CB 4.26Å; F306-Q317 HydrophobicContact CB-CB 4.5Å; F306-Q317 HydrophobicContact CD1-CG 4.35Å; F306-Q317 HydrophobicContact CD2-CB 3.38Å; F306-Q317 HydrophobicContact CD2-CG 3.61Å; F306-Q317 HydrophobicContact CE1-CG 4.33Å; F306-Q317 HydrophobicContact CE2-CB 3.73Å; F306-Q317 HydrophobicContact CE2-CG 3.56Å; F306-Q317 HydrophobicContact CG-CB 3.99Å; F306-Q317 HydrophobicContact CG-CG 4.03Å; F306-Q317 HydrophobicContact CZ-CG 3.96Å; F306-E319 HydrophobicContact CD2-CG 4.34Å; F306-E319 HydrophobicContact CE2-CG 4Å; F306-W320 HydrophobicContact CB-CB 3.69Å; F306-W320 PolarHBondContact N-O 3.32Å
307L82.9Confident80.1Confident31 Ų3153.1 Ų53.116%0.16230%0.3CS..EExtended strand (participates in β ladder)trans-135159.3172.6-72.7174000109.6Q253 P255 S294 F304 W320Q253-L307 CarbonylContact C-O 3.46Å; Q253-L307 WeakPolarHBondContact CA-O 3.23Å; Q253-L307 HydrophobicContact CB-CB 4.31Å; Q253-L307 WeakPolarHBondContact CB-O 3.48Å; Q253-L307 PolarHBondContact N-O 3.33Å; Q253-L307 CarbonylContact O-C 2.71Å; Q253-L307 PolarHBondContact O-N 3.34Å; P255-L307 HydrophobicContact CB-CB 3.59Å; P255-L307 HydrophobicContact CB-CD1 3.49Å; P255-L307 VanDerWaalsContact CB-CD1 3.49Å; P255-L307 HydrophobicContact CB-CG 3.34Å; P255-L307 HydrophobicContact CG-CG 4.29Å; S294-L307 WeakPolarHBondContact O-CD1 3.49Å; F304-L307 HydrophobicContact CB-CD2 4.43Å; F304-L307 HydrophobicContact CB-CG 4.28Å; F304-L307 HydrophobicContact CD2-CD1 4.33Å; F304-L307 HydrophobicContact CD2-CD2 4.09Å; F304-L307 HydrophobicContact CD2-CG 4.49Å; F304-L307 HydrophobicContact CG-CD2 4.35Å; L307-W320 HydrophobicContact CD2-CZ3 4.46Å
308D83.1Confident79.8Confident11 Ų1160.8 Ų60.86%0.05934%0.34CS..EExtended strand (participates in β ladder)trans-113129.9171.1-179.1-75.1000107.2R251 D310 G311 H312R251-D308 VanDerWaalsContact CB-OD2 3.28Å; R251-D308 WeakPolarHBondContact CB-OD2 3.28Å; R251-D308 IonicContact CZ-OD2 2.91Å; R251-D308 IonicContact NE-OD1 2.75Å; R251-D308 IonicContact NE-OD2 3.8Å; R251-D308 PolarHBondContact NE-OD2 3.34Å; R251-D308 IonicContact NH2-OD2 3.64Å; D308-D310 PolarHBondContact O-N 2.96Å; D308-D310 VanDerWaalsContact O-N 3.17Å; D308-D310 WeakPolarHBondContact OD1-CA 3.49Å; D308-D310 WeakPolarHBondContact OD1-CB 3.41Å; D308-D310 PolarHBondContact OD1-N 3.2Å; D308-G311 PolarHBondContact O-N 3.47Å; D308-H312 WeakPolarHBondContact CB-O 3.27Å; D308-H312 PolarHBondContact OD1-N 2.88Å; D308-H312 IonicContact OD1-ND1 3.54Å
309V81.3Confident79.7Confident29 Ų2955.9 Ų55.918%0.17632%0.32CS..THydrogen-bonded Turntrans-61.8-24.3-175.167.30000113.3R229 A233 L235 R251 Q253 G311R229-V309 VanDerWaalsContact NH2-CG1 3.27Å; A233-V309 HydrophobicContact CB-CG2 3.54Å; L235-V309 HydrophobicContact CD2-CB 4.07Å; L235-V309 HydrophobicContact CD2-CG1 4.08Å; L235-V309 HydrophobicContact CD2-CG2 4.27Å; R251-V309 HydrophobicContact CB-CG1 4.02Å; R251-V309 HydrophobicContact CG-CG1 4.16Å; R251-V309 PolarHBondContact O-N 3.24Å; Q253-V309 HydrophobicContact CG-CB 3.9Å; V309-G311 VanDerWaalsContact C-N 3.32Å
310D80.8Confident79.5Confident74 Ų7455.6 Ų55.640%0.39630%0.302SS..THydrogen-bonded Turntrans-92.45.6176.8-68.1-27.6000112.2R229 R251 D308 H312R229-D310 IonicContact CZ-OD1 2.7Å; R229-D310 IonicContact NH1-OD1 3.45Å; R229-D310 PolarHBondContact NH1-OD1 2.96Å; R229-D310 IonicContact NH2-OD1 3.4Å; R229-D310 PolarHBondContact NH2-OD1 2.94Å; R229-D310 IonicContact NH2-OD2 2.75Å; R251-D310 WeakPolarHBondContact CD-OD2 3.39Å; D308-D310 PolarHBondContact O-N 2.96Å; D308-D310 VanDerWaalsContact O-N 3.17Å; D308-D310 WeakPolarHBondContact OD1-CA 3.49Å; D308-D310 WeakPolarHBondContact OD1-CB 3.41Å; D308-D310 PolarHBondContact OD1-N 3.2Å; D310-H312 WeakPolarHBondContact CB-ND1 3.41Å; D310-H312 PolarHBondContact O-N 3.07Å
311G75Confident79.4Confident70 Ų7052.8 Ų52.872%0.72229%0.291SS*.SBendtrans69.515.1-178.400000113.9D308 V309D308-G311 PolarHBondContact O-N 3.47Å; V309-G311 VanDerWaalsContact C-N 3.32Å
312H74.8Confident79.4Confident117 Ų11754 Ų5454%0.54229%0.294SS..SBendtrans-74.9169.7172.1-64.995.9000110.6D308 D310 P314D308-H312 WeakPolarHBondContact CB-O 3.27Å; D308-H312 PolarHBondContact OD1-N 2.88Å; D308-H312 IonicContact OD1-ND1 3.54Å; D310-H312 WeakPolarHBondContact CB-ND1 3.41Å; D310-H312 PolarHBondContact O-N 3.07Å; H312-P314 WeakPolarHBondContact O-CD 3.33Å
313C63.5Low79.5Confident83 Ų8354 Ų5456%0.56129%0.294SS*.  trans-57.1130.4171.8-173.30000109.1T315C313-T315 VanDerWaalsContact C-N 3.29Å; C313-T315 HydrophobicContact CB-CG2 4.25Å; C313-T315 WeakPolarHBondContact O-CA 3.27Å; C313-T315 WeakPolarHBondContact O-CG2 3.39Å; C313-T315 PolarHBondContact O-N 3.47Å; C313-T315 PolarHBondContact O-OG1 3.27Å
314P60.3Low79.6Confident11 Ų1154.2 Ų54.27%0.07130%0.295CS..  trans-6296170.5-19.332.8000107F306 H312 Q316 W320F306-P314 HydrophobicContact CB-CB 4.26Å; H312-P314 WeakPolarHBondContact O-CD 3.33Å; P314-Q316 PolarHBondContact O-N 3.04Å; P314-Q316 VanDerWaalsContact O-N 3.1Å; P314-W320 HydrophobicContact CB-CB 3.77Å; P314-W320 HydrophobicContact CB-CG 4.04Å; P314-W320 HydrophobicContact CG-CB 3.75Å; P314-W320 HydrophobicContact CG-CD2 3.75Å; P314-W320 HydrophobicContact CG-CE3 3.99Å; P314-W320 HydrophobicContact CG-CG 3.65Å
315T54.5Low79.8Confident84 Ų8453.1 Ų53.152%0.51529%0.29SS..SBendtrans-83.35.3-153.716.30000112.9C248 C313C248-T315 PolarHBondContact SG-OG1 3.1Å; C313-T315 VanDerWaalsContact C-N 3.29Å; C313-T315 HydrophobicContact CB-CG2 4.25Å; C313-T315 WeakPolarHBondContact O-CA 3.27Å; C313-T315 WeakPolarHBondContact O-CG2 3.39Å; C313-T315 PolarHBondContact O-N 3.47Å; C313-T315 PolarHBondContact O-OG1 3.27Å
316Q61.7Low80.1Confident116 Ų11652 Ų5254%0.54229%0.285SS..SBendtrans-118.8-26.9-178.4-71.1-173.5-5.700114.8C248 P314C248-Q316 HydrophobicContact CB-CG 4.4Å; P314-Q316 PolarHBondContact O-N 3.04Å; P314-Q316 VanDerWaalsContact O-N 3.1Å
317Q75Confident80.5Confident34 Ų3451.4 Ų51.416%0.15928%0.283CS..  trans-119.3118.6-172.2-62.483.82.200110.8F306 E319 W320F306-Q317 HydrophobicContact CB-CB 4.5Å; F306-Q317 HydrophobicContact CD1-CG 4.35Å; F306-Q317 HydrophobicContact CD2-CB 3.38Å; F306-Q317 HydrophobicContact CD2-CG 3.61Å; F306-Q317 HydrophobicContact CE1-CG 4.33Å; F306-Q317 HydrophobicContact CE2-CB 3.73Å; F306-Q317 HydrophobicContact CE2-CG 3.56Å; F306-Q317 HydrophobicContact CG-CB 3.99Å; F306-Q317 HydrophobicContact CG-CG 4.03Å; F306-Q317 HydrophobicContact CZ-CG 3.96Å; Q317-E319 HydrophobicContact CB-CG 4.33Å; Q317-E319 PolarHBondContact O-N 3.09Å; Q317-W320 PolarHBondContact O-N 3.29Å
318L83.6Confident81Confident169 Ų16950 Ų5089%0.88528%0.276SS*.THydrogen-bonded Turntrans-69.4-25.4177.7-66.2174.4000111.4W320L318-W320 VanDerWaalsContact C-N 3.27Å; L318-W320 PolarHBondContact O-N 3.17Å
319E86.5Confident81.5Confident80 Ų8049.4 Ų49.437%0.37427%0.273SS..THydrogen-bonded Turntrans-84.210.6-178.864.2-92.6-138.200114.2Y305 F306 Q317 S321 M322Y305-E319 HydrophobicContact CD1-CB 4.27Å; Y305-E319 HydrophobicContact CD1-CG 3.65Å; Y305-E319 HydrophobicContact CE1-CG 3.7Å; F306-E319 HydrophobicContact CD2-CG 4.34Å; F306-E319 HydrophobicContact CE2-CG 4Å; Q317-E319 HydrophobicContact CB-CG 4.33Å; Q317-E319 PolarHBondContact O-N 3.09Å; E319-S321 VanDerWaalsContact C-N 3.25Å; E319-S321 PolarHBondContact O-N 3.07Å; E319-S321 VanDerWaalsContact O-N 3.16Å; E319-M322 HydrophobicContact CB-CG 4.06Å; E319-M322 HydrophobicContact CB-SD 3.59Å; E319-M322 VanDerWaalsContact CB-SD 3.59Å; E319-M322 VanDerWaalsContact O-CB 3.32Å; E319-M322 WeakPolarHBondContact O-CB 3.43Å; E319-M322 PolarHBondContact O-N 3.39Å
320W85.5Confident82.1Confident76 Ų7648 Ų4829%0.28826%0.264SS..THydrogen-bonded Turntrans-55.7-35-174.774.5-93000114.5F304 Y305 F306 L307 P314 Q317 L318F304-W320 HydrophobicContact CD1-CZ3 4.23Å; F304-W320 HydrophobicContact CE1-CZ3 4.22Å; Y305-W320 CarbonylContact C-O 2.77Å; Y305-W320 WeakPolarHBondContact CA-O 3.31Å; Y305-W320 PolarHBondContact N-O 2.92Å; F306-W320 HydrophobicContact CB-CB 3.69Å; F306-W320 PolarHBondContact N-O 3.32Å; L307-W320 HydrophobicContact CD2-CZ3 4.46Å; P314-W320 HydrophobicContact CB-CB 3.77Å; P314-W320 HydrophobicContact CB-CG 4.04Å; P314-W320 HydrophobicContact CG-CB 3.75Å; P314-W320 HydrophobicContact CG-CD2 3.75Å; P314-W320 HydrophobicContact CG-CE3 3.99Å; P314-W320 HydrophobicContact CG-CG 3.65Å; Q317-W320 PolarHBondContact O-N 3.29Å; L318-W320 VanDerWaalsContact C-N 3.27Å; L318-W320 PolarHBondContact O-N 3.17Å
321S88.1Confident82.7Confident25 Ų2544.5 Ų44.518%0.17525%0.246CC..THydrogen-bonded Turntrans-89.1-5.4-178.365.10000114E319 Q376E319-S321 VanDerWaalsContact C-N 3.25Å; E319-S321 PolarHBondContact O-N 3.07Å; E319-S321 VanDerWaalsContact O-N 3.16Å; S321-Q376 WeakPolarHBondContact O-CA 3.35Å; S321-Q376 WeakPolarHBondContact O-CB 3.3Å
322M90.9Very high83.6Confident39 Ų3941.3 Ų41.319%0.19221%0.212CC..  trans-67.1153.4-179.5-65.4-171.472.400111.2Y305 E319 L324 L374 A381Y305-M322 VanDerWaalsContact CB-O 3.29Å; Y305-M322 WeakPolarHBondContact CB-O 3.35Å; Y305-M322 PolarHBondContact N-O 2.87Å; E319-M322 HydrophobicContact CB-CG 4.06Å; E319-M322 HydrophobicContact CB-SD 3.59Å; E319-M322 VanDerWaalsContact CB-SD 3.59Å; E319-M322 VanDerWaalsContact O-CB 3.32Å; E319-M322 WeakPolarHBondContact O-CB 3.43Å; E319-M322 PolarHBondContact O-N 3.39Å; M322-L324 HydrophobicContact CB-CD1 3.82Å; M322-L374 WeakPolarHBondContact CA-O 3.4Å; M322-L374 WeakPolarHBondContact CB-O 3.49Å; M322-A381 HydrophobicContact CE-CB 3.69Å
323K92.2Very high84.5Confident0 Ų035.8 Ų35.80%019%0.186CC..EExtended strand (participates in β ladder)trans-108.1105.9176.5-45.6-64.5174.3620107.8D297 G301 L303 F362 L374 T375 Q376D297-K323 IonicContact OD2-NZ 3.71Å; D297-K323 PolarHBondContact OD2-NZ 3.5Å; G301-K323 PolarHBondContact O-NZ 3.35Å; L303-K323 WeakPolarHBondContact O-CD 3.42Å; K323-F362 HydrophobicContact CB-CZ 4.48Å; K323-L374 HydrophobicContact CB-CB 4.16Å; K323-L374 PolarHBondContact N-O 3.31Å; K323-L374 WeakPolarHBondContact O-CB 3.26Å; K323-L374 PolarHBondContact O-N 3.07Å; K323-T375 WeakPolarHBondContact CG-O 3.42Å; K323-Q376 PolarHBondContact NZ-O 3.1Å
324L92.8Very high86Confident5 Ų531.8 Ų31.83%0.02616%0.16CC..EExtended strand (participates in β ladder)trans-91.2154.3-178.5-89.265.3000111.3Y305 M322 P327 H328 F362 G372 Y373Y305-L324 HydrophobicContact CD1-CD1 3.61Å; Y305-L324 HydrophobicContact CD1-CD2 3.83Å; Y305-L324 HydrophobicContact CD1-CG 4.35Å; Y305-L324 HydrophobicContact CD2-CD1 4.45Å; Y305-L324 HydrophobicContact CD2-CD2 3.99Å; Y305-L324 HydrophobicContact CE1-CD1 4.18Å; Y305-L324 HydrophobicContact CE1-CD2 3.58Å; Y305-L324 HydrophobicContact CE2-CD2 3.88Å; Y305-L324 HydrophobicContact CG-CD1 3.77Å; Y305-L324 HydrophobicContact CG-CD2 4.03Å; Y305-L324 HydrophobicContact CG-CG 4.4Å; M322-L324 HydrophobicContact CB-CD1 3.82Å; L324-P327 HydrophobicContact CB-CG 4.17Å; L324-P327 WeakPolarHBondContact O-CD 3.47Å; L324-H328 PolarHBondContact O-CE1 3.16Å; L324-H328 PolarHBondContact O-ND1 3.43Å; L324-F362 WeakPolarHBondContact O-CZ 3.28Å; L324-G372 CarbonylContact C-O 3.36Å; L324-G372 WeakPolarHBondContact CA-O 3.41Å; L324-Y373 HydrophobicContact CD1-CD1 4.12Å; L324-Y373 HydrophobicContact CD2-CD1 4.31Å; L324-Y373 HydrophobicContact CD2-CE1 4.11Å; L324-Y373 HydrophobicContact CG-CD1 3.93Å; L324-Y373 HydrophobicContact CG-CE1 4.21Å
325W93Very high87.6Confident4 Ų431.3 Ų31.32%0.01516%0.156CC..Hα-helixtrans-63.9-43.5179.177.7100.2000113.4H328 S329 F362 F371 G372 Y373 K390W325-H328 PolarHBondContact O-N 2.99Å; W325-S329 PolarHBondContact O-N 3.42Å; W325-S329 PolarHBondContact O-OG 3.37Å; W325-F362 HydrophobicContact CB-CD1 3.92Å; W325-F362 HydrophobicContact CB-CE1 4.11Å; W325-F371 WeakPolarHBondContact CB-O 3.49Å; W325-G372 PolarHBondContact N-O 3.42Å; W325-Y373 HydrophobicContact CH2-CE2 4.47Å; W325-Y373 HydrophobicContact CZ3-CD1 4.39Å; W325-Y373 HydrophobicContact CZ3-CD2 4.47Å; W325-Y373 AromaticContact CZ3-CE1 3.78Å; W325-Y373 HydrophobicContact CZ3-CE1 3.78Å; W325-Y373 AromaticContact CZ3-CE2 3.82Å; W325-Y373 HydrophobicContact CZ3-CE2 3.82Å; W325-Y373 AromaticContact CZ3-CZ 3.47Å; W325-Y373 VanDerWaalsContact CZ3-CZ 3.47Å; W325-K390 HydrophobicContact CD2-CD 3.79Å; W325-K390 HydrophobicContact CD2-CG 4.26Å; W325-K390 HydrophobicContact CE3-CD 4.09Å; W325-K390 HydrophobicContact CG-CD 4.37Å; W325-K390 HydrophobicContact CH2-CB 3.49Å; W325-K390 VanDerWaalsContact CH2-CB 3.49Å; W325-K390 HydrophobicContact CH2-CD 4.1Å; W325-K390 HydrophobicContact CH2-CG 3.9Å; W325-K390 HydrophobicContact CZ2-CB 3.44Å; W325-K390 VanDerWaalsContact CZ2-CB 3.44Å; W325-K390 HydrophobicContact CZ2-CD 3.86Å; W325-K390 HydrophobicContact CZ2-CG 3.42Å; W325-K390 VanDerWaalsContact CZ2-CG 3.42Å; W325-K390 HydrophobicContact CZ3-CB 4.27Å; W325-K390 HydrophobicContact CZ3-CD 4.21Å
326W92.7Very high89.4Confident19 Ų1927.3 Ų27.37%0.07213%0.132CC..Hα-helixtrans-71.2-38.7-16871.1-93.1000113.6H259 Y305 H328 S329 E330 H394H259-W326 AromaticContact CD2-CH2 3.51Å; H259-W326 AromaticContact CD2-CZ3 3.76Å; Y305-W326 HydrophobicContact CD2-CZ2 4.34Å; Y305-W326 AromaticContact CE2-CZ2 3.74Å; Y305-W326 HydrophobicContact CE2-CZ2 3.74Å; W326-H328 PolarHBondContact O-N 3.27Å; W326-S329 WeakPolarHBondContact O-CB 3.48Å; W326-S329 PolarHBondContact O-N 3.16Å; W326-S329 VanDerWaalsContact O-N 3.08Å; W326-E330 HydrophobicContact CE3-CG 4.14Å; W326-E330 WeakPolarHBondContact O-CG 3.25Å; W326-E330 PolarHBondContact O-N 2.86Å; W326-H394 HydrophobicContact CB-CB 3.94Å
327P92.1Very high91Very high3 Ų322.9 Ų22.92%0.01911%0.111CC..Hα-helixtrans-59.8-36.9176.5-25.738.2000112.4L303 L324 E330 A331L303-P327 HydrophobicContact CD1-CB 4.42Å; L324-P327 HydrophobicContact CB-CG 4.17Å; L324-P327 WeakPolarHBondContact O-CD 3.47Å; P327-E330 PolarHBondContact O-N 3.05Å; P327-A331 WeakPolarHBondContact O-CB 3.35Å; P327-A331 PolarHBondContact O-N 2.65Å
328H93.9Very high91.8Very high0 Ų021.2 Ų21.20%010%0.104CC..Hα-helixtrans-70.8-39.1176.1-61.585.7000112G302 L303 L324 W325 W326 A331 L332 Y357 T358 F362G302-H328 VanDerWaalsContact CA-NE2 3.28Å; G302-H328 WeakPolarHBondContact CA-NE2 3.32Å; L303-H328 PolarHBondContact N-CE1 3.28Å; L303-H328 PolarHBondContact N-NE2 2.97Å; L324-H328 PolarHBondContact O-CE1 3.16Å; L324-H328 PolarHBondContact O-ND1 3.43Å; W325-H328 PolarHBondContact O-N 2.99Å; W326-H328 PolarHBondContact O-N 3.27Å; H328-A331 WeakPolarHBondContact O-CB 3.44Å; H328-A331 PolarHBondContact O-N 2.78Å; H328-L332 WeakPolarHBondContact O-CG 3.19Å; H328-L332 PolarHBondContact O-N 2.92Å; H328-Y357 AromaticContact CD2-CD1 3.65Å; H328-Y357 AromaticContact CD2-CE1 3.87Å; H328-Y357 AromaticContact NE2-CD1 3.63Å; H328-Y357 AromaticContact NE2-CE1 3.38Å; H328-Y357 WeakPolarHBondContact NE2-CE1 3.47Å; H328-T358 HydrophobicContact CB-CG2 4.1Å; H328-T358 WeakPolarHBondContact CB-OG1 3.42Å; H328-F362 HydrophobicContact CB-CE2 4.17Å; H328-F362 AromaticContact CE1-CZ 3.79Å; H328-F362 AromaticContact CG-CE2 3.76Å; H328-F362 AromaticContact ND1-CE2 3.7Å; H328-F362 AromaticContact ND1-CZ 3.51Å
329S93.2Very high92.2Very high0 Ų014 Ų140%07%0.065CC..Hα-helixtrans-59.1-44.9172-620000112W325 W326 L332 V333 C398W325-S329 PolarHBondContact O-N 3.42Å; W325-S329 PolarHBondContact O-OG 3.37Å; W326-S329 WeakPolarHBondContact O-CB 3.48Å; W326-S329 PolarHBondContact O-N 3.16Å; W326-S329 VanDerWaalsContact O-N 3.08Å; S329-L332 PolarHBondContact O-N 3Å; S329-V333 PolarHBondContact O-N 3.39Å; S329-C398 PolarHBondContact O-SG 3.24Å
330E93.9Very high92.3Very high0 Ų011.7 Ų11.70%06%0.057CC..Hα-helixtrans-69.3-36.5177.9-57.6-43.5135.800112.3E262 W265 W326 P327 L332 V333 A334 H394 R397E262-E330 HydrophobicContact CB-CB 4.28Å; E262-E330 HydrophobicContact CB-CG 4.07Å; E262-E330 HydrophobicContact CG-CG 4.35Å; W265-E330 PolarHBondContact NE1-OE2 2.82Å; W326-E330 HydrophobicContact CE3-CG 4.14Å; W326-E330 WeakPolarHBondContact O-CG 3.25Å; W326-E330 PolarHBondContact O-N 2.86Å; P327-E330 PolarHBondContact O-N 3.05Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 3.18Å; E330-V333 PolarHBondContact O-N 3.35Å; E330-A334 WeakPolarHBondContact O-CB 3.38Å; E330-A334 PolarHBondContact O-N 3Å; E330-H394 IonicContact OE1-CE1 3.9Å; E330-H394 IonicContact OE1-CG 2.74Å; E330-H394 IonicContact OE1-ND1 3.12Å; E330-H394 PolarHBondContact OE1-ND1 3.17Å; E330-R397 IonicContact OE1-CZ 3.53Å; E330-R397 IonicContact OE1-NE 3.65Å; E330-R397 IonicContact OE1-NH2 3.34Å; E330-R397 PolarHBondContact OE1-NH2 3.03Å; E330-R397 IonicContact OE2-CZ 2.99Å; E330-R397 IonicContact OE2-NH2 3.49Å; E330-R397 PolarHBondContact OE2-NH2 3.33Å
331A93.1Very high92.4Very high0 Ų010.8 Ų10.80%06%0.056CC..Hα-helixtrans-58.2-44.8173.900000112.4L261 L303 P327 H328 V333 A334 F335 V354L261-A331 VanDerWaalsContact CD1-CA 3.4Å; L261-A331 HydrophobicContact CD1-CB 3.3Å; L303-A331 HydrophobicContact CD1-CB 3.93Å; P327-A331 WeakPolarHBondContact O-CB 3.35Å; P327-A331 PolarHBondContact O-N 2.65Å; H328-A331 WeakPolarHBondContact O-CB 3.44Å; H328-A331 PolarHBondContact O-N 2.78Å; A331-V333 VanDerWaalsContact C-N 3.31Å; A331-V333 PolarHBondContact O-N 3.29Å; A331-A334 PolarHBondContact O-N 3.19Å; A331-F335 HydrophobicContact CB-CD2 4.47Å; A331-F335 WeakPolarHBondContact O-CD2 3.3Å; A331-F335 PolarHBondContact O-N 3.21Å; A331-V354 HydrophobicContact CB-CG1 3.76Å; A331-V354 HydrophobicContact CB-CG2 4.24Å
332L94.2Very high92.4Very high3 Ų312.5 Ų12.52%0.0167%0.066CC..Hα-helixtrans-58.4-44.1176.9-70.8171.5000111.8H328 S329 E330 L336 F351 V354 Y355 T358 F359H328-L332 WeakPolarHBondContact O-CG 3.19Å; H328-L332 PolarHBondContact O-N 2.92Å; S329-L332 PolarHBondContact O-N 3Å; E330-L332 VanDerWaalsContact C-N 3.34Å; E330-L332 PolarHBondContact O-N 3.18Å; L332-L336 WeakPolarHBondContact O-CB 3.19Å; L332-L336 PolarHBondContact O-N 3.03Å; L332-F351 HydrophobicContact CB-CE2 4.33Å; L332-F351 HydrophobicContact CD2-CD2 4.08Å; L332-F351 HydrophobicContact CD2-CE2 3.77Å; L332-F351 HydrophobicContact CD2-CZ 4.47Å; L332-V354 HydrophobicContact CD2-CB 4.07Å; L332-V354 HydrophobicContact CD2-CG1 3.66Å; L332-V354 HydrophobicContact CG-CG1 3.77Å; L332-Y355 HydrophobicContact CD2-CD2 4.44Å; L332-T358 HydrophobicContact CD1-CG2 4.14Å; L332-F359 HydrophobicContact CD1-CE2 3.97Å
333V94.7Very high92.2Very high0 Ų017 Ų170%08%0.081CC..Hα-helixtrans-66.3-47.7178.4176.20000110.5W265 S329 E330 A331 L336 M337 C398 M401W265-V333 HydrophobicContact CB-CG1 4.46Å; W265-V333 HydrophobicContact CD2-CG1 4.13Å; W265-V333 HydrophobicContact CG-CG1 4.06Å; S329-V333 PolarHBondContact O-N 3.39Å; E330-V333 PolarHBondContact O-N 3.35Å; A331-V333 VanDerWaalsContact C-N 3.31Å; A331-V333 PolarHBondContact O-N 3.29Å; V333-L336 PolarHBondContact O-N 3.32Å; V333-M337 WeakPolarHBondContact O-CB 3.36Å; V333-M337 PolarHBondContact O-N 3.41Å; V333-C398 HydrophobicContact CG2-CB 4.03Å; V333-M401 HydrophobicContact CG1-CB 4.4Å; V333-M401 HydrophobicContact CG1-CE 3.53Å; V333-M401 HydrophobicContact CG1-SD 4.11Å; V333-M401 HydrophobicContact CG2-CB 4.19Å
334A93.6Very high92.1Very high0 Ų018.9 Ų18.90%09%0.094CC..Hα-helixtrans-62.1-49.2-176.800000112.7L261 W265 V288 E330 A331 M337 A338L261-A334 HydrophobicContact CB-CB 3.86Å; L261-A334 HydrophobicContact CD2-CB 4.42Å; W265-A334 HydrophobicContact CB-CB 4.09Å; V288-A334 HydrophobicContact CG2-CB 4.24Å; E330-A334 WeakPolarHBondContact O-CB 3.38Å; E330-A334 PolarHBondContact O-N 3Å; A331-A334 PolarHBondContact O-N 3.19Å; A334-M337 PolarHBondContact O-N 2.91Å; A334-A338 VanDerWaalsContact O-CB 3.26Å; A334-A338 WeakPolarHBondContact O-CB 3.16Å; A334-A338 PolarHBondContact O-N 2.95Å
335F94.1Very high91.8Very high0 Ų026.2 Ų26.20%012%0.121CC..Hα-helixtrans-65-42.2179.1-79.1-64000112.5L261 V288 F292 A331 A338 Y339 L347 N350 F351 V354L261-F335 HydrophobicContact CD1-CE2 4.48Å; V288-F335 HydrophobicContact CG1-CD1 3.76Å; V288-F335 HydrophobicContact CG1-CE1 3.54Å; V288-F335 HydrophobicContact CG1-CG 4.39Å; V288-F335 HydrophobicContact CG1-CZ 4.01Å; F292-F335 HydrophobicContact CB-CE2 4.2Å; F292-F335 HydrophobicContact CB-CZ 3.59Å; F292-F335 HydrophobicContact CD1-CE2 4.4Å; F292-F335 AromaticContact CD1-CZ 3.75Å; F292-F335 HydrophobicContact CD1-CZ 3.75Å; F292-F335 AromaticContact CD2-CE2 3.54Å; F292-F335 HydrophobicContact CD2-CE2 3.54Å; F292-F335 AromaticContact CD2-CZ 3.66Å; F292-F335 HydrophobicContact CD2-CZ 3.66Å; F292-F335 HydrophobicContact CE1-CZ 4.29Å; F292-F335 AromaticContact CE2-CE2 3.9Å; F292-F335 HydrophobicContact CE2-CE2 3.9Å; F292-F335 HydrophobicContact CE2-CZ 4.21Å; F292-F335 AromaticContact CG-CE2 3.81Å; F292-F335 HydrophobicContact CG-CE2 3.81Å; F292-F335 AromaticContact CG-CZ 3.39Å; F292-F335 HydrophobicContact CG-CZ 3.39Å; F292-F335 HydrophobicContact CZ-CE2 4.47Å; F292-F335 HydrophobicContact CZ-CZ 4.49Å; A331-F335 HydrophobicContact CB-CD2 4.47Å; A331-F335 WeakPolarHBondContact O-CD2 3.3Å; A331-F335 PolarHBondContact O-N 3.21Å; F335-A338 PolarHBondContact O-N 2.89Å; F335-Y339 VanDerWaalsContact O-CB 3.3Å; F335-Y339 WeakPolarHBondContact O-CB 3.38Å; F335-Y339 PolarHBondContact O-N 3.17Å; F335-L347 HydrophobicContact CD1-CD2 4Å; F335-L347 HydrophobicContact CE1-CD2 4.09Å; F335-N350 HydrophobicContact CD1-CB 3.94Å; F335-N350 HydrophobicContact CE1-CB 3.67Å; F335-N350 HydrophobicContact CE2-CB 4.42Å; F335-N350 HydrophobicContact CG-CB 4.45Å; F335-N350 HydrophobicContact CZ-CB 3.94Å; F335-F351 HydrophobicContact CB-CB 3.85Å; F335-F351 HydrophobicContact CB-CD2 4.37Å; F335-V354 HydrophobicContact CD2-CG2 4.07Å; F335-V354 HydrophobicContact CE2-CG2 4.01Å
336L93.5Very high91.7Very high0 Ų032.2 Ų32.20%015%0.149CC..Hα-helixtrans-68.2-37.9-179.8-170.365.5000111.8L332 V333 Y339 S340 F351 C402 L405 L406 L409L332-L336 WeakPolarHBondContact O-CB 3.19Å; L332-L336 PolarHBondContact O-N 3.03Å; V333-L336 PolarHBondContact O-N 3.32Å; L336-Y339 PolarHBondContact O-N 3.1Å; L336-S340 WeakPolarHBondContact O-CB 3.47Å; L336-S340 PolarHBondContact O-N 2.91Å; L336-F351 HydrophobicContact CB-CD2 3.93Å; L336-F351 HydrophobicContact CB-CE2 3.91Å; L336-F351 HydrophobicContact CD1-CD2 4.41Å; L336-F351 HydrophobicContact CD1-CE1 4.42Å; L336-F351 HydrophobicContact CD1-CE2 4.21Å; L336-F351 HydrophobicContact CD1-CZ 4.22Å; L336-F351 HydrophobicContact CD2-CE2 4.22Å; L336-F351 HydrophobicContact CD2-CZ 4.42Å; L336-F351 HydrophobicContact CG-CE2 4.36Å; L336-C402 HydrophobicContact CD2-CB 3.81Å; L336-C402 WeakPolarHBondContact CD2-O 3.33Å; L336-L405 HydrophobicContact CB-CD1 4.26Å; L336-L405 HydrophobicContact CD2-CB 3.63Å; L336-L405 HydrophobicContact CD2-CD1 4.06Å; L336-L405 HydrophobicContact CG-CB 3.92Å; L336-L405 HydrophobicContact CG-CD1 4.12Å; L336-L406 HydrophobicContact CD1-CD2 3.93Å; L336-L406 HydrophobicContact CD1-CG 4.39Å; L336-L406 HydrophobicContact CD2-CD1 4.49Å; L336-L406 HydrophobicContact CD2-CD2 4.35Å; L336-L406 HydrophobicContact CD2-CG 3.92Å; L336-L409 HydrophobicContact CD1-CD1 3.55Å; L336-L409 HydrophobicContact CG-CD1 4.26Å
337M93.6Very high91.6Very high23 Ų2331.3 Ų31.311%0.11315%0.146CC..Hα-helixtrans-66.5-44.9174.8-170.7168.7-160.900111.5W265 L268 R269 V333 A334 Y339 S340 Q341 L405W265-M337 HydrophobicContact CB-SD 4.17Å; L268-M337 HydrophobicContact CB-CE 4.49Å; L268-M337 HydrophobicContact CB-CG 4.4Å; L268-M337 HydrophobicContact CB-SD 4.13Å; R269-M337 HydrophobicContact CB-CE 3.72Å; R269-M337 HydrophobicContact CG-CE 4.25Å; V333-M337 WeakPolarHBondContact O-CB 3.36Å; V333-M337 PolarHBondContact O-N 3.41Å; A334-M337 PolarHBondContact O-N 2.91Å; M337-Y339 VanDerWaalsContact C-N 3.34Å; M337-Y339 PolarHBondContact O-N 3.36Å; M337-S340 PolarHBondContact O-N 3.04Å; M337-Q341 WeakPolarHBondContact O-CG 3.38Å; M337-Q341 PolarHBondContact O-N 3.18Å; M337-L405 HydrophobicContact CB-CD1 4.12Å
338A92.1Very high91.6Very high0 Ų031.4 Ų31.40%015%0.146CC..Hα-helixtrans-62.6-40.617600000111.7L268 I284 A334 F335 Q341 T342 L347L268-A338 HydrophobicContact CD1-CB 3.97Å; I284-A338 HydrophobicContact CD1-CB 4.13Å; I284-A338 HydrophobicContact CG1-CB 3.97Å; A334-A338 VanDerWaalsContact O-CB 3.26Å; A334-A338 WeakPolarHBondContact O-CB 3.16Å; A334-A338 PolarHBondContact O-N 2.95Å; F335-A338 PolarHBondContact O-N 2.89Å; A338-Q341 PolarHBondContact O-N 2.9Å; A338-T342 PolarHBondContact O-N 3.03Å; A338-T342 PolarHBondContact O-OG1 2.66Å; A338-L347 HydrophobicContact CB-CD1 3.8Å
339Y92.6Very high91.5Very high18 Ų1836.1 Ų36.17%0.07117%0.168CC..Hα-helixtrans-64-43.2173.9174.2-111.2000112.2L15 F335 L336 M337 Q341 T342 R343 S344 L348 L409L15-Y339 HydrophobicContact CD1-CE1 4.46Å; F335-Y339 VanDerWaalsContact O-CB 3.3Å; F335-Y339 WeakPolarHBondContact O-CB 3.38Å; F335-Y339 PolarHBondContact O-N 3.17Å; L336-Y339 PolarHBondContact O-N 3.1Å; M337-Y339 VanDerWaalsContact C-N 3.34Å; M337-Y339 PolarHBondContact O-N 3.36Å; Y339-Q341 PolarHBondContact O-N 3.11Å; Y339-T342 PolarHBondContact O-N 2.8Å; Y339-R343 VanDerWaalsContact O-CA 3.26Å; Y339-R343 WeakPolarHBondContact O-CA 3.34Å; Y339-R343 PolarHBondContact O-N 2.78Å; Y339-S344 VanDerWaalsContact CD2-O 3.24Å; Y339-S344 WeakPolarHBondContact CD2-O 3.4Å; Y339-L348 HydrophobicContact CD1-CD1 4.21Å; Y339-L348 HydrophobicContact CD2-CB 3.76Å; Y339-L348 HydrophobicContact CE1-CD1 4.19Å; Y339-L348 HydrophobicContact CE1-CD2 4.36Å; Y339-L348 HydrophobicContact CE2-CB 3.83Å; Y339-L348 HydrophobicContact CE2-CD2 4Å; Y339-L348 HydrophobicContact CE2-CG 4.37Å; Y339-L348 HydrophobicContact CG-CB 4.2Å; Y339-L348 HydrophobicContact CG-CD1 4.45Å; Y339-L409 HydrophobicContact CD1-CD1 3.92Å; Y339-L409 HydrophobicContact CD1-CD2 3.95Å; Y339-L409 HydrophobicContact CE1-CD1 4.11Å; Y339-L409 HydrophobicContact CE1-CD2 3.85Å
340S89.4Confident91.5Very high31 Ų3138 Ų3822%0.21718%0.178CC..Hα-helixtrans-57.3-36.8177.9-175.50000112.6L336 M337 R343L336-S340 WeakPolarHBondContact O-CB 3.47Å; L336-S340 PolarHBondContact O-N 2.91Å; M337-S340 PolarHBondContact O-N 3.04Å; S340-R343 PolarHBondContact O-NE 3.23Å
341Q87.4Confident91.5Very high56 Ų5638 Ų3826%0.26218%0.178SC..Hα-helixtrans-84-36.7-178.2-66.1-177.610.400114.4L268 M337 A338 Y339L268-Q341 PolarHBondContact O-NE2 3.48Å; M337-Q341 WeakPolarHBondContact O-CG 3.38Å; M337-Q341 PolarHBondContact O-N 3.18Å; A338-Q341 PolarHBondContact O-N 2.9Å; Y339-Q341 PolarHBondContact O-N 3.11Å
342T87.1Confident91.5Very high62 Ų6239 Ų3938%0.3818%0.183SC..Hα-helixtrans-103.8-24.2-173.959.50000114.3I284 A338 Y339 S344 L347I284-T342 HydrophobicContact CD1-CG2 3.32Å; A338-T342 PolarHBondContact O-N 3.03Å; A338-T342 PolarHBondContact O-OG1 2.66Å; Y339-T342 PolarHBondContact O-N 2.8Å; T342-S344 PolarHBondContact O-N 3.5Å; T342-S344 PolarHBondContact OG1-N 2.87Å; T342-L347 WeakPolarHBondContact OG1-CD1 3.5Å
343R87.2Confident91.5Very high133 Ų13344.1 Ų44.150%0.50220%0.202SC..  trans54.925.8-168.9-54.5-63.4176.4144.71.9113.9Y339 S340Y339-R343 VanDerWaalsContact O-CA 3.26Å; Y339-R343 WeakPolarHBondContact O-CA 3.34Å; Y339-R343 PolarHBondContact O-N 2.78Å; S340-R343 PolarHBondContact O-NE 3.23Å
344S89.1Confident91.4Very high40 Ų4044.1 Ų44.128%0.2820%0.202SC..  trans-69.5129.2175.41790000111.5Y339 T342 E346 L347 L348Y339-S344 VanDerWaalsContact CD2-O 3.24Å; Y339-S344 WeakPolarHBondContact CD2-O 3.4Å; T342-S344 PolarHBondContact O-N 3.5Å; T342-S344 PolarHBondContact OG1-N 2.87Å; S344-E346 VanDerWaalsContact C-N 3.34Å; S344-E346 PolarHBondContact O-N 2.83Å; S344-L347 PolarHBondContact O-N 2.99Å; S344-L348 PolarHBondContact O-N 2.87Å
345R88.2Confident91.5Very high159 Ų15945.2 Ų45.260%0.621%0.206SC*.Hα-helixtrans-66.6-34.5179.9-177.6173.9168.3153.90.1112.8E11 L347 L348 E349E11-R345 IonicContact OE1-NH1 3.56Å; R345-L347 PolarHBondContact O-N 2.77Å; R345-L348 WeakPolarHBondContact O-CB 3.35Å; R345-L348 PolarHBondContact O-N 3.26Å; R345-E349 HydrophobicContact CG-CG 4.43Å; R345-E349 IonicContact CZ-OE1 2.66Å; R345-E349 IonicContact NE-OE1 3.72Å; R345-E349 PolarHBondContact NE-OE1 2.99Å; R345-E349 IonicContact NH2-OE1 3.96Å; R345-E349 WeakPolarHBondContact O-CG 3.44Å; R345-E349 PolarHBondContact O-N 3.5Å
346E90.4Very high91.5Very high129 Ų12950.2 Ų50.260%0.60323%0.229SC*.Hα-helixtrans-64-41.4-179.5-65.3176.6176.500111.4S344 L348 E349 N350S344-E346 VanDerWaalsContact C-N 3.34Å; S344-E346 PolarHBondContact O-N 2.83Å; E346-L348 VanDerWaalsContact C-N 3.29Å; E346-L348 PolarHBondContact O-N 3.3Å; E346-E349 PolarHBondContact O-N 3.37Å; E346-N350 PolarHBondContact O-N 3.23Å; E346-N350 PolarHBondContact O-ND2 3.11Å
347L90.9Very high91.5Very high1 Ų151 Ų511%0.00523%0.232CC..Hα-helixtrans-63.6-35.7175.3-65.2176.1000112.2I284 E289 F335 A338 T342 S344 R345 F351I284-L347 HydrophobicContact CG2-CD1 4.08Å; I284-L347 HydrophobicContact CG2-CD2 4.27Å; E289-L347 HydrophobicContact CG-CD2 3.88Å; E289-L347 WeakPolarHBondContact OE1-CD2 3.46Å; F335-L347 HydrophobicContact CD1-CD2 4Å; F335-L347 HydrophobicContact CE1-CD2 4.09Å; A338-L347 HydrophobicContact CB-CD1 3.8Å; T342-L347 WeakPolarHBondContact OG1-CD1 3.5Å; S344-L347 PolarHBondContact O-N 2.99Å; R345-L347 PolarHBondContact O-N 2.77Å; L347-F351 WeakPolarHBondContact O-CB 3.43Å; L347-F351 PolarHBondContact O-N 2.75Å
348L91.3Very high91.5Very high4 Ų449.9 Ų49.92%0.02123%0.227CC..Hα-helixtrans-70.2-39.8176179.662.2000112L15 Y339 S344 R345 E346 N350 F351 F352L15-L348 HydrophobicContact CD2-CD1 3.81Å; Y339-L348 HydrophobicContact CD1-CD1 4.21Å; Y339-L348 HydrophobicContact CD2-CB 3.76Å; Y339-L348 HydrophobicContact CE1-CD1 4.19Å; Y339-L348 HydrophobicContact CE1-CD2 4.36Å; Y339-L348 HydrophobicContact CE2-CB 3.83Å; Y339-L348 HydrophobicContact CE2-CD2 4Å; Y339-L348 HydrophobicContact CE2-CG 4.37Å; Y339-L348 HydrophobicContact CG-CB 4.2Å; Y339-L348 HydrophobicContact CG-CD1 4.45Å; S344-L348 PolarHBondContact O-N 2.87Å; R345-L348 WeakPolarHBondContact O-CB 3.35Å; R345-L348 PolarHBondContact O-N 3.26Å; E346-L348 VanDerWaalsContact C-N 3.29Å; E346-L348 PolarHBondContact O-N 3.3Å; L348-N350 VanDerWaalsContact C-N 3.34Å; L348-F351 HydrophobicContact CD1-CD1 4.25Å; L348-F351 WeakPolarHBondContact O-CB 3.45Å; L348-F351 PolarHBondContact O-N 2.97Å; L348-F352 HydrophobicContact CD1-CD2 4.26Å; L348-F352 HydrophobicContact CD1-CE2 3.67Å; L348-F352 HydrophobicContact CD1-CZ 3.81Å; L348-F352 HydrophobicContact CD2-CE2 3.99Å; L348-F352 HydrophobicContact CG-CD2 4.07Å; L348-F352 HydrophobicContact CG-CE2 3.56Å; L348-F352 HydrophobicContact CG-CZ 4.2Å; L348-F352 VanDerWaalsContact O-CD2 3.24Å; L348-F352 WeakPolarHBondContact O-CD2 3.5Å; L348-F352 PolarHBondContact O-N 3Å
349E92.3Very high91.6Very high99 Ų9951 Ų5146%0.46323%0.232SC..Hα-helixtrans-64-41.1175.3-71.4176-175.400110.9R345 E346 F352 R353R345-E349 HydrophobicContact CG-CG 4.43Å; R345-E349 IonicContact CZ-OE1 2.66Å; R345-E349 IonicContact NE-OE1 3.72Å; R345-E349 PolarHBondContact NE-OE1 2.99Å; R345-E349 IonicContact NH2-OE1 3.96Å; R345-E349 WeakPolarHBondContact O-CG 3.44Å; R345-E349 PolarHBondContact O-N 3.5Å; E346-E349 PolarHBondContact O-N 3.37Å; E349-F352 PolarHBondContact O-N 3.11Å; E349-R353 PolarHBondContact O-N 3.42Å
350N92.2Very high91.7Very high40 Ų4054.1 Ų54.121%0.21426%0.256CS..Hα-helixtrans-64.9-40.3172.8-73.4-27000112.5F292 F335 E346 L348 F352 R353 V354F292-N350 HydrophobicContact CE1-CB 3.97Å; F292-N350 WeakPolarHBondContact CE1-OD1 3.32Å; F292-N350 HydrophobicContact CZ-CB 4.31Å; F335-N350 HydrophobicContact CD1-CB 3.94Å; F335-N350 HydrophobicContact CE1-CB 3.67Å; F335-N350 HydrophobicContact CE2-CB 4.42Å; F335-N350 HydrophobicContact CG-CB 4.45Å; F335-N350 HydrophobicContact CZ-CB 3.94Å; E346-N350 PolarHBondContact O-N 3.23Å; E346-N350 PolarHBondContact O-ND2 3.11Å; L348-N350 VanDerWaalsContact C-N 3.34Å; N350-F352 VanDerWaalsContact C-N 3.34Å; N350-F352 PolarHBondContact O-N 2.87Å; N350-R353 WeakPolarHBondContact O-CB 3.44Å; N350-R353 PolarHBondContact O-N 3.37Å; N350-V354 WeakPolarHBondContact O-CG2 3.47Å; N350-V354 PolarHBondContact O-N 3.09Å
351F94.1Very high91.8Very high0 Ų055.5 Ų55.50%026%0.259CS..Hα-helixtrans-55.3-49171.1170.6-99.9000111.4L332 F335 L336 L347 L348 R353 V354 Y355L332-F351 HydrophobicContact CB-CE2 4.33Å; L332-F351 HydrophobicContact CD2-CD2 4.08Å; L332-F351 HydrophobicContact CD2-CE2 3.77Å; L332-F351 HydrophobicContact CD2-CZ 4.47Å; F335-F351 HydrophobicContact CB-CB 3.85Å; F335-F351 HydrophobicContact CB-CD2 4.37Å; L336-F351 HydrophobicContact CB-CD2 3.93Å; L336-F351 HydrophobicContact CB-CE2 3.91Å; L336-F351 HydrophobicContact CD1-CD2 4.41Å; L336-F351 HydrophobicContact CD1-CE1 4.42Å; L336-F351 HydrophobicContact CD1-CE2 4.21Å; L336-F351 HydrophobicContact CD1-CZ 4.22Å; L336-F351 HydrophobicContact CD2-CE2 4.22Å; L336-F351 HydrophobicContact CD2-CZ 4.42Å; L336-F351 HydrophobicContact CG-CE2 4.36Å; L347-F351 WeakPolarHBondContact O-CB 3.43Å; L347-F351 PolarHBondContact O-N 2.75Å; L348-F351 HydrophobicContact CD1-CD1 4.25Å; L348-F351 WeakPolarHBondContact O-CB 3.45Å; L348-F351 PolarHBondContact O-N 2.97Å; F351-R353 VanDerWaalsContact C-N 3.3Å; F351-R353 PolarHBondContact O-N 3.4Å; F351-V354 PolarHBondContact O-N 3.23Å; F351-Y355 HydrophobicContact CZ-CD2 4.33Å; F351-Y355 VanDerWaalsContact O-CB 3.25Å; F351-Y355 WeakPolarHBondContact O-CB 3.23Å; F351-Y355 PolarHBondContact O-N 3.04Å
352F93.7Very high92.1Very high20 Ų2052.9 Ų52.99%0.08825%0.247CC..Hα-helixtrans-63.2-36.8178.9-71.5-48.9000112.5K14 L15 L348 E349 N350 Y355 E356K14-F352 HydrophobicContact CB-CE1 4.32Å; K14-F352 HydrophobicContact CB-CZ 4.01Å; K14-F352 HydrophobicContact CD-CD1 3.95Å; K14-F352 HydrophobicContact CD-CD2 4.15Å; K14-F352 HydrophobicContact CD-CE1 3.7Å; K14-F352 HydrophobicContact CD-CE2 3.89Å; K14-F352 HydrophobicContact CD-CG 4.18Å; K14-F352 HydrophobicContact CD-CZ 3.67Å; K14-F352 HydrophobicContact CG-CD1 4.27Å; K14-F352 HydrophobicContact CG-CE1 3.65Å; K14-F352 HydrophobicContact CG-CE2 4.47Å; K14-F352 HydrophobicContact CG-CZ 3.76Å; L15-F352 HydrophobicContact CD2-CE1 4.26Å; L15-F352 HydrophobicContact CD2-CZ 3.96Å; L15-F352 HydrophobicContact CG-CZ 4.26Å; L348-F352 HydrophobicContact CD1-CD2 4.26Å; L348-F352 HydrophobicContact CD1-CE2 3.67Å; L348-F352 HydrophobicContact CD1-CZ 3.81Å; L348-F352 HydrophobicContact CD2-CE2 3.99Å; L348-F352 HydrophobicContact CG-CD2 4.07Å; L348-F352 HydrophobicContact CG-CE2 3.56Å; L348-F352 HydrophobicContact CG-CZ 4.2Å; L348-F352 VanDerWaalsContact O-CD2 3.24Å; L348-F352 WeakPolarHBondContact O-CD2 3.5Å; L348-F352 PolarHBondContact O-N 3Å; E349-F352 PolarHBondContact O-N 3.11Å; N350-F352 VanDerWaalsContact C-N 3.34Å; N350-F352 PolarHBondContact O-N 2.87Å; F352-Y355 PolarHBondContact O-N 3.17Å; F352-E356 WeakPolarHBondContact O-CB 3.28Å; F352-E356 VanDerWaalsContact O-CG 3.29Å; F352-E356 WeakPolarHBondContact O-CG 3.41Å; F352-E356 PolarHBondContact O-N 3.11Å
353R93.5Very high92.5Very high112 Ų11251.2 Ų51.242%0.42324%0.237SC..Hα-helixtrans-62.5-45.1175.6-173.2177.6-177.4-175.64.6112.2W296 E349 N350 F351 Y357W296-R353 HydrophobicContact CH2-CG 4.09Å; W296-R353 HydrophobicContact CZ2-CG 3.88Å; E349-R353 PolarHBondContact O-N 3.42Å; N350-R353 WeakPolarHBondContact O-CB 3.44Å; N350-R353 PolarHBondContact O-N 3.37Å; F351-R353 VanDerWaalsContact C-N 3.3Å; F351-R353 PolarHBondContact O-N 3.4Å; R353-Y357 PolarHBondContact O-N 3.29Å
354V93.5Very high92.6Very high0 Ų045.3 Ų45.30%022%0.216CC..Hα-helixtrans-65.4-42.8175177.70000110.4F292 W296 A331 L332 F335 N350 F351 Y357 T358F292-V354 HydrophobicContact CD2-CG2 4.32Å; F292-V354 HydrophobicContact CE2-CG2 3.48Å; F292-V354 VanDerWaalsContact CE2-CG2 3.48Å; F292-V354 HydrophobicContact CZ-CG2 4.1Å; W296-V354 HydrophobicContact CZ3-CG2 4.06Å; A331-V354 HydrophobicContact CB-CG1 3.76Å; A331-V354 HydrophobicContact CB-CG2 4.24Å; L332-V354 HydrophobicContact CD2-CB 4.07Å; L332-V354 HydrophobicContact CD2-CG1 3.66Å; L332-V354 HydrophobicContact CG-CG1 3.77Å; F335-V354 HydrophobicContact CD2-CG2 4.07Å; F335-V354 HydrophobicContact CE2-CG2 4.01Å; N350-V354 WeakPolarHBondContact O-CG2 3.47Å; N350-V354 PolarHBondContact O-N 3.09Å; F351-V354 PolarHBondContact O-N 3.23Å; V354-Y357 PolarHBondContact O-N 3Å; V354-T358 VanDerWaalsContact O-CB 3.3Å; V354-T358 WeakPolarHBondContact O-CB 3.47Å; V354-T358 PolarHBondContact O-N 3.22Å; V354-T358 PolarHBondContact O-OG1 3.33Å
355Y94.8Very high92.3Very high22 Ų2249.2 Ų49.29%0.08624%0.243CC..Hα-helixtrans-60.1-52.8179.5177.4-90.1000111.9C18 H21 I22 L332 F351 F352 Y357 T358 F359C18-Y355 HydrophobicContact CB-CE2 4.06Å; C18-Y355 VanDerWaalsContact SG-CE1 3.55Å; H21-Y355 WeakPolarHBondContact CB-OH 3.32Å; H21-Y355 AromaticContact ND1-CZ 3.88Å; H21-Y355 PolarHBondContact ND1-OH 3.32Å; I22-Y355 HydrophobicContact CD1-CD2 4.39Å; I22-Y355 HydrophobicContact CD1-CE2 3.95Å; I22-Y355 HydrophobicContact CG1-CE2 3.97Å; L332-Y355 HydrophobicContact CD2-CD2 4.44Å; F351-Y355 HydrophobicContact CZ-CD2 4.33Å; F351-Y355 VanDerWaalsContact O-CB 3.25Å; F351-Y355 WeakPolarHBondContact O-CB 3.23Å; F351-Y355 PolarHBondContact O-N 3.04Å; F352-Y355 PolarHBondContact O-N 3.17Å; Y355-Y357 VanDerWaalsContact C-N 3.29Å; Y355-Y357 PolarHBondContact O-N 3.2Å; Y355-T358 PolarHBondContact O-N 3.06Å; Y355-F359 HydrophobicContact CD1-CD2 4.44Å; Y355-F359 AromaticContact CD2-CD2 3.42Å; Y355-F359 HydrophobicContact CD2-CD2 3.42Å; Y355-F359 VanDerWaalsContact CD2-CD2 3.42Å; Y355-F359 AromaticContact CD2-CE2 3.31Å; Y355-F359 HydrophobicContact CD2-CE2 3.31Å; Y355-F359 HydrophobicContact CD2-CG 4.47Å; Y355-F359 HydrophobicContact CD2-CZ 4.28Å; Y355-F359 HydrophobicContact CE1-CD2 4.41Å; Y355-F359 AromaticContact CE2-CD2 3.39Å; Y355-F359 HydrophobicContact CE2-CD2 3.39Å; Y355-F359 HydrophobicContact CE2-CE1 4.45Å; Y355-F359 AromaticContact CE2-CE2 3.24Å; Y355-F359 HydrophobicContact CE2-CE2 3.24Å; Y355-F359 HydrophobicContact CE2-CG 4.09Å; Y355-F359 AromaticContact CE2-CZ 3.83Å; Y355-F359 HydrophobicContact CE2-CZ 3.83Å; Y355-F359 AromaticContact CG-CD2 3.96Å; Y355-F359 HydrophobicContact CG-CD2 3.96Å; Y355-F359 HydrophobicContact CG-CE2 4.26Å; Y355-F359 AromaticContact CZ-CD2 3.91Å; Y355-F359 WeakPolarHBondContact O-CD2 3.42Å; Y355-F359 PolarHBondContact O-N 3.4Å
356E94.4Very high92.1Very high105 Ų10549.9 Ų49.949%0.49125%0.25SS..Hα-helixtrans-60.3-40.7-179.5-72.8171.4-166.700111.2K14 F352 S360K14-E356 IonicContact NZ-OE1 2.74Å; K14-E356 PolarHBondContact NZ-OE1 3.48Å; F352-E356 WeakPolarHBondContact O-CB 3.28Å; F352-E356 VanDerWaalsContact O-CG 3.29Å; F352-E356 WeakPolarHBondContact O-CG 3.41Å; F352-E356 PolarHBondContact O-N 3.11Å; E356-S360 VanDerWaalsContact O-CB 3.26Å; E356-S360 WeakPolarHBondContact O-CB 3.29Å; E356-S360 PolarHBondContact O-N 3.01Å; E356-S360 PolarHBondContact O-OG 2.92Å
357Y94.4Very high91.6Very high16 Ų1645.3 Ų45.36%0.06323%0.232CC..Hα-helixtrans-66.2-49.9175.1-175.9-93.1000112.2W296 G301 G302 H328 R353 V354 Y355 F359 S360 H361 F362W296-Y357 HydrophobicContact CH2-CG 4.02Å; G301-Y357 WeakPolarHBondContact O-CE2 3.34Å; G301-Y357 PolarHBondContact O-OH 2.91Å; G302-Y357 VanDerWaalsContact CA-CZ 3.43Å; H328-Y357 AromaticContact CD2-CD1 3.65Å; H328-Y357 AromaticContact CD2-CE1 3.87Å; H328-Y357 AromaticContact NE2-CD1 3.63Å; H328-Y357 AromaticContact NE2-CE1 3.38Å; H328-Y357 WeakPolarHBondContact NE2-CE1 3.47Å; R353-Y357 PolarHBondContact O-N 3.29Å; V354-Y357 PolarHBondContact O-N 3Å; Y355-Y357 VanDerWaalsContact C-N 3.29Å; Y355-Y357 PolarHBondContact O-N 3.2Å; Y357-F359 PolarHBondContact O-N 3.48Å; Y357-S360 PolarHBondContact O-N 2.77Å; Y357-S360 PolarHBondContact O-OG 3.4Å; Y357-H361 AromaticContact CD2-CE1 3.58Å; Y357-H361 AromaticContact CD2-ND1 3.68Å; Y357-H361 AromaticContact CE2-CE1 3.53Å; Y357-H361 AromaticContact CE2-ND1 3.73Å; Y357-H361 AromaticContact CE2-NE2 3.8Å; Y357-H361 PolarHBondContact O-N 3.27Å; Y357-H361 PolarHBondContact O-ND1 3.09Å; Y357-F362 HydrophobicContact CD1-CE2 4.36Å; Y357-F362 HydrophobicContact CE1-CE2 4.04Å
358T93.8Very high91.4Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-63.1-49.5-173.2-54.20000111.1H328 L332 V354 Y355 S360 H361 F362 P363 W370H328-T358 HydrophobicContact CB-CG2 4.1Å; H328-T358 WeakPolarHBondContact CB-OG1 3.42Å; L332-T358 HydrophobicContact CD1-CG2 4.14Å; V354-T358 VanDerWaalsContact O-CB 3.3Å; V354-T358 WeakPolarHBondContact O-CB 3.47Å; V354-T358 PolarHBondContact O-N 3.22Å; V354-T358 PolarHBondContact O-OG1 3.33Å; Y355-T358 PolarHBondContact O-N 3.06Å; T358-S360 VanDerWaalsContact C-N 3.28Å; T358-S360 PolarHBondContact O-N 2.97Å; T358-H361 PolarHBondContact O-N 2.87Å; T358-F362 HydrophobicContact CG2-CD2 3.81Å; T358-F362 HydrophobicContact CG2-CE2 4.38Å; T358-F362 WeakPolarHBondContact O-CD2 3.38Å; T358-F362 PolarHBondContact O-N 2.9Å; T358-F362 VanDerWaalsContact O-N 3.08Å; T358-P363 WeakPolarHBondContact O-CD 3.48Å; T358-W370 HydrophobicContact CG2-CE3 4.26Å; T358-W370 HydrophobicContact CG2-CH2 3.6Å; T358-W370 HydrophobicContact CG2-CZ3 3.38Å
359F93.6Very high91.4Very high24 Ų2446.3 Ų46.311%0.10524%0.243CC..Hα-helixtrans-74.6-16.4-176.2-75.8-92.1000113.7H21 I22 Q25 L332 Y355 Y357 P363 W370 L399H21-F359 AromaticContact CE1-CD1 3.46Å; H21-F359 VanDerWaalsContact CE1-CD1 3.46Å; H21-F359 WeakPolarHBondContact CE1-CD1 3.44Å; H21-F359 AromaticContact ND1-CD1 3.9Å; H21-F359 AromaticContact NE2-CD1 3.94Å; I22-F359 HydrophobicContact CG1-CE1 4.45Å; I22-F359 HydrophobicContact CG1-CE2 4.35Å; I22-F359 HydrophobicContact CG1-CZ 3.72Å; Q25-F359 HydrophobicContact CB-CE1 4.24Å; Q25-F359 HydrophobicContact CG-CD1 4.3Å; Q25-F359 HydrophobicContact CG-CE1 3.89Å; L332-F359 HydrophobicContact CD1-CE2 3.97Å; Y355-F359 HydrophobicContact CD1-CD2 4.44Å; Y355-F359 AromaticContact CD2-CD2 3.42Å; Y355-F359 HydrophobicContact CD2-CD2 3.42Å; Y355-F359 VanDerWaalsContact CD2-CD2 3.42Å; Y355-F359 AromaticContact CD2-CE2 3.31Å; Y355-F359 HydrophobicContact CD2-CE2 3.31Å; Y355-F359 HydrophobicContact CD2-CG 4.47Å; Y355-F359 HydrophobicContact CD2-CZ 4.28Å; Y355-F359 HydrophobicContact CE1-CD2 4.41Å; Y355-F359 AromaticContact CE2-CD2 3.39Å; Y355-F359 HydrophobicContact CE2-CD2 3.39Å; Y355-F359 HydrophobicContact CE2-CE1 4.45Å; Y355-F359 AromaticContact CE2-CE2 3.24Å; Y355-F359 HydrophobicContact CE2-CE2 3.24Å; Y355-F359 HydrophobicContact CE2-CG 4.09Å; Y355-F359 AromaticContact CE2-CZ 3.83Å; Y355-F359 HydrophobicContact CE2-CZ 3.83Å; Y355-F359 AromaticContact CG-CD2 3.96Å; Y355-F359 HydrophobicContact CG-CD2 3.96Å; Y355-F359 HydrophobicContact CG-CE2 4.26Å; Y355-F359 AromaticContact CZ-CD2 3.91Å; Y355-F359 WeakPolarHBondContact O-CD2 3.42Å; Y355-F359 PolarHBondContact O-N 3.4Å; Y357-F359 PolarHBondContact O-N 3.48Å; F359-P363 HydrophobicContact CD1-CG 4.23Å; F359-P363 WeakPolarHBondContact O-CD 3.45Å; F359-W370 HydrophobicContact CD1-CZ2 4.35Å; F359-W370 HydrophobicContact CE1-CH2 4.49Å; F359-W370 AromaticContact CE1-CZ2 3.81Å; F359-W370 HydrophobicContact CE1-CZ2 3.81Å; F359-W370 HydrophobicContact CE2-CH2 4.42Å; F359-W370 HydrophobicContact CZ-CH2 4.17Å; F359-W370 AromaticContact CZ-CZ2 3.9Å; F359-W370 HydrophobicContact CZ-CZ2 3.9Å; F359-L399 HydrophobicContact CE1-CD2 4.15Å; F359-L399 HydrophobicContact CZ-CD2 3.71Å
360S93.5Very high91.5Very high83 Ų8341.6 Ų41.658%0.5822%0.221SC*.Hα-helixtrans-87.1-24.4174.655.60000113.9E356 Y357 T358E356-S360 VanDerWaalsContact O-CB 3.26Å; E356-S360 WeakPolarHBondContact O-CB 3.29Å; E356-S360 PolarHBondContact O-N 3.01Å; E356-S360 PolarHBondContact O-OG 2.92Å; Y357-S360 PolarHBondContact O-N 2.77Å; Y357-S360 PolarHBondContact O-OG 3.4Å; T358-S360 VanDerWaalsContact C-N 3.28Å; T358-S360 PolarHBondContact O-N 2.97Å
361H93.3Very high91.6Very high61 Ų6140.3 Ų40.328%0.28221%0.214SC..Hα-helixtrans-108.9-38.2-172.5-66.977.5000114.5Y357 T358 L374Y357-H361 AromaticContact CD2-CE1 3.58Å; Y357-H361 AromaticContact CD2-ND1 3.68Å; Y357-H361 AromaticContact CE2-CE1 3.53Å; Y357-H361 AromaticContact CE2-ND1 3.73Å; Y357-H361 AromaticContact CE2-NE2 3.8Å; Y357-H361 PolarHBondContact O-N 3.27Å; Y357-H361 PolarHBondContact O-ND1 3.09Å; T358-H361 PolarHBondContact O-N 2.87Å; H361-L374 HydrophobicContact CB-CD1 3.68Å
362F93.9Very high91.4Very high0 Ų040.3 Ų40.30%021%0.214CC..SBendtrans-90.4-44.9-171.8-63.1-82.4000114.8K323 L324 W325 H328 Y357 T358 D364 W370 F371 L374K323-F362 HydrophobicContact CB-CZ 4.48Å; L324-F362 WeakPolarHBondContact O-CZ 3.28Å; W325-F362 HydrophobicContact CB-CD1 3.92Å; W325-F362 HydrophobicContact CB-CE1 4.11Å; H328-F362 HydrophobicContact CB-CE2 4.17Å; H328-F362 AromaticContact CE1-CZ 3.79Å; H328-F362 AromaticContact CG-CE2 3.76Å; H328-F362 AromaticContact ND1-CE2 3.7Å; H328-F362 AromaticContact ND1-CZ 3.51Å; Y357-F362 HydrophobicContact CD1-CE2 4.36Å; Y357-F362 HydrophobicContact CE1-CE2 4.04Å; T358-F362 HydrophobicContact CG2-CD2 3.81Å; T358-F362 HydrophobicContact CG2-CE2 4.38Å; T358-F362 WeakPolarHBondContact O-CD2 3.38Å; T358-F362 PolarHBondContact O-N 2.9Å; T358-F362 VanDerWaalsContact O-N 3.08Å; F362-D364 PolarHBondContact O-N 3.35Å; F362-W370 HydrophobicContact CB-CB 4.14Å; F362-W370 HydrophobicContact CB-CD2 4.21Å; F362-W370 HydrophobicContact CB-CE3 3.99Å; F362-W370 HydrophobicContact CB-CG 4.31Å; F362-W370 CarbonylContact O-C 3.53Å; F362-W370 VanDerWaalsContact O-CA 3.28Å; F362-W370 WeakPolarHBondContact O-CA 3.26Å; F362-F371 WeakPolarHBondContact CD1-O 3.43Å; F362-F371 WeakPolarHBondContact O-CD2 3.5Å; F362-F371 PolarHBondContact O-N 3.48Å; F362-L374 HydrophobicContact CD1-CD1 3.71Å; F362-L374 HydrophobicContact CD1-CD2 4.48Å; F362-L374 HydrophobicContact CD1-CG 3.95Å; F362-L374 HydrophobicContact CD2-CD1 4.4Å; F362-L374 HydrophobicContact CE1-CD1 3.4Å; F362-L374 HydrophobicContact CE1-CG 3.6Å; F362-L374 HydrophobicContact CE2-CD1 4.14Å; F362-L374 HydrophobicContact CG-CD1 4.21Å; F362-L374 HydrophobicContact CZ-CD1 3.63Å; F362-L374 HydrophobicContact CZ-CG 4.25Å
363P93.5Very high91.4Very high27 Ų2740.7 Ų40.718%0.17522%0.215CC..BIsolated β-bridgetrans-62.1130.7-176.3-22.531.9000113.3T358 F359 W370T358-P363 WeakPolarHBondContact O-CD 3.48Å; F359-P363 HydrophobicContact CD1-CG 4.23Å; F359-P363 WeakPolarHBondContact O-CD 3.45Å; P363-W370 HydrophobicContact CG-CD2 4.41Å; P363-W370 HydrophobicContact CG-CG 4.42Å; P363-W370 HydrophobicContact CG-CZ2 4.43Å
364D91.2Very high91.4Very high9 Ų935.4 Ų35.45%0.04820%0.195CC..  trans-96.496.4171.2-173.28.2000110.2R51 F362 K366 S367 G368 E369 F371 K385R51-D364 IonicContact NE-OD2 2.97Å; R51-D364 PolarHBondContact NE-OD2 3.32Å; R51-D364 IonicContact NH2-OD1 3.09Å; R51-D364 IonicContact NH2-OD2 3.38Å; F362-D364 PolarHBondContact O-N 3.35Å; D364-K366 PolarHBondContact O-N 3.3Å; D364-K366 VanDerWaalsContact O-N 3.1Å; D364-K366 PolarHBondContact OD1-N 2.89Å; D364-S367 WeakPolarHBondContact OD2-CB 3.45Å; D364-G368 WeakPolarHBondContact O-CA 3.46Å; D364-G368 PolarHBondContact O-N 3.5Å; D364-E369 PolarHBondContact N-O 3.32Å; D364-F371 HydrophobicContact CB-CD2 4.27Å; D364-F371 HydrophobicContact CB-CE2 3.58Å; D364-F371 HydrophobicContact CB-CZ 3.71Å; D364-F371 WeakPolarHBondContact OD2-CZ 3.25Å; D364-K385 WeakPolarHBondContact OD2-CE 3.35Å; D364-K385 IonicContact OD2-NZ 2.8Å; D364-K385 PolarHBondContact OD2-NZ 3.04Å
365S82.7Confident91.4Very high122 Ų12237.3 Ų37.385%0.85321%0.206SC*.THydrogen-bonded Turntrans-61-18178.655.20000114.2
366K82.6Confident91.2Very high173 Ų17338.6 Ų38.675%0.75221%0.213SC*.THydrogen-bonded Turntrans-87.3-50.2-177.8-66.2-175.2178.8-177.50113D364D364-K366 PolarHBondContact O-N 3.3Å; D364-K366 VanDerWaalsContact O-N 3.1Å; D364-K366 PolarHBondContact OD1-N 2.89Å
367S81.4Confident91.1Very high33 Ų3338.1 Ų38.123%0.23121%0.211CC..THydrogen-bonded Turntrans-107.90.5-172.7-50.50000113.6F32 R51 D364F32-S367 WeakPolarHBondContact CD2-O 3.38Å; F32-S367 WeakPolarHBondContact CE2-O 3.45Å; R51-S367 WeakPolarHBondContact O-CB 3.37Å; D364-S367 WeakPolarHBondContact OD2-CB 3.45Å
368G85.4Confident90.9Very high23 Ų2338 Ų3824%0.23721%0.214CC..SBendtrans77.4166.7-177.600000112.8D364 K385D364-G368 WeakPolarHBondContact O-CA 3.46Å; D364-G368 PolarHBondContact O-N 3.5Å; G368-K385 PolarHBondContact O-NZ 3.02Å
369E92.6Very high90.9Very high3 Ų344.9 Ų44.91%0.01424%0.244CC..SBendtrans60.5179.5-172.1-122.4-81.5176.100113.2V29 F32 W33 D364 K385 K390V29-E369 HydrophobicContact CG1-CG 4.22Å; V29-E369 HydrophobicContact CG2-CG 4.38Å; F32-E369 HydrophobicContact CB-CB 4.46Å; F32-E369 HydrophobicContact CB-CG 4.48Å; F32-E369 HydrophobicContact CD1-CB 3.89Å; F32-E369 HydrophobicContact CD1-CG 3.72Å; F32-E369 HydrophobicContact CD2-CB 4.24Å; F32-E369 HydrophobicContact CE1-CB 4.17Å; F32-E369 HydrophobicContact CE1-CG 4.17Å; F32-E369 HydrophobicContact CE2-CB 4.49Å; F32-E369 HydrophobicContact CG-CB 3.93Å; F32-E369 HydrophobicContact CG-CG 4.13Å; F32-E369 HydrophobicContact CZ-CB 4.46Å; W33-E369 PolarHBondContact NE1-OE1 3.45Å; D364-E369 PolarHBondContact N-O 3.32Å; E369-K385 HydrophobicContact CB-CB 4.4Å; E369-K385 HydrophobicContact CB-CD 4.25Å; E369-K385 HydrophobicContact CB-CG 4.49Å; E369-K390 VanDerWaalsContact CD-NZ 3.29Å; E369-K390 IonicContact OE1-NZ 3.36Å; E369-K390 PolarHBondContact OE1-NZ 3.01Å; E369-K390 IonicContact OE2-NZ 3.06Å; E369-K390 PolarHBondContact OE2-NZ 3.41Å
370W93.8Very high90.9Very high0 Ų046.9 Ų46.90%026%0.258CS..BIsolated β-bridgetrans-106.7144.1-179-64.914.4000110.8T358 F359 F362 P363 K390 V395 L399T358-W370 HydrophobicContact CG2-CE3 4.26Å; T358-W370 HydrophobicContact CG2-CH2 3.6Å; T358-W370 HydrophobicContact CG2-CZ3 3.38Å; F359-W370 HydrophobicContact CD1-CZ2 4.35Å; F359-W370 HydrophobicContact CE1-CH2 4.49Å; F359-W370 AromaticContact CE1-CZ2 3.81Å; F359-W370 HydrophobicContact CE1-CZ2 3.81Å; F359-W370 HydrophobicContact CE2-CH2 4.42Å; F359-W370 HydrophobicContact CZ-CH2 4.17Å; F359-W370 AromaticContact CZ-CZ2 3.9Å; F359-W370 HydrophobicContact CZ-CZ2 3.9Å; F362-W370 HydrophobicContact CB-CB 4.14Å; F362-W370 HydrophobicContact CB-CD2 4.21Å; F362-W370 HydrophobicContact CB-CE3 3.99Å; F362-W370 HydrophobicContact CB-CG 4.31Å; F362-W370 CarbonylContact O-C 3.53Å; F362-W370 VanDerWaalsContact O-CA 3.28Å; F362-W370 WeakPolarHBondContact O-CA 3.26Å; P363-W370 HydrophobicContact CG-CD2 4.41Å; P363-W370 HydrophobicContact CG-CG 4.42Å; P363-W370 HydrophobicContact CG-CZ2 4.43Å; W370-K390 WeakPolarHBondContact O-CE 3.42Å; W370-K390 PolarHBondContact O-NZ 3.29Å; W370-K390 VanDerWaalsContact O-NZ 3.07Å; W370-V395 HydrophobicContact CB-CG2 4.37Å; W370-V395 HydrophobicContact CD2-CG1 3.73Å; W370-V395 HydrophobicContact CD2-CG2 4.15Å; W370-V395 HydrophobicContact CE3-CG1 4.1Å; W370-V395 HydrophobicContact CE3-CG2 3.92Å; W370-V395 HydrophobicContact CG-CG1 4.04Å; W370-V395 HydrophobicContact CG-CG2 4.38Å; W370-V395 HydrophobicContact CZ2-CG1 4.32Å; W370-L399 HydrophobicContact CH2-CD2 4.38Å; W370-L399 HydrophobicContact CZ2-CD1 4.37Å; W370-L399 HydrophobicContact CZ2-CD2 3.97Å; W370-L399 HydrophobicContact CZ2-CG 4.46Å
371F94.4Very high90.8Very high14 Ų1445 Ų456%0.06125%0.248CC..  trans-63.2147.1164-63.4-68.1000110.3R51 W325 F362 D364 L374 V380 D383 K385R51-F371 HydrophobicContact CG-CE1 4.34Å; W325-F371 WeakPolarHBondContact CB-O 3.49Å; F362-F371 WeakPolarHBondContact CD1-O 3.43Å; F362-F371 WeakPolarHBondContact O-CD2 3.5Å; F362-F371 PolarHBondContact O-N 3.48Å; D364-F371 HydrophobicContact CB-CD2 4.27Å; D364-F371 HydrophobicContact CB-CE2 3.58Å; D364-F371 HydrophobicContact CB-CZ 3.71Å; D364-F371 WeakPolarHBondContact OD2-CZ 3.25Å; F371-L374 HydrophobicContact CB-CD2 4.29Å; F371-V380 HydrophobicContact CB-CG1 4.47Å; F371-V380 HydrophobicContact CD1-CG1 3.76Å; F371-V380 HydrophobicContact CD1-CG2 4.35Å; F371-V380 HydrophobicContact CD2-CG2 3.66Å; F371-V380 HydrophobicContact CE1-CG1 4.11Å; F371-V380 HydrophobicContact CE2-CG2 3.9Å; F371-V380 HydrophobicContact CG-CG1 4Å; F371-V380 HydrophobicContact CG-CG2 3.91Å; F371-V380 HydrophobicContact CZ-CG2 4.35Å; F371-D383 HydrophobicContact CE1-CB 4.28Å; F371-K385 HydrophobicContact CD1-CD 4.4Å
372G89.9Confident90.7Very high0 Ų045.7 Ų45.70%025%0.253CS..SBendtrans-84.2-47.2175.400000112.6L324 W325L324-G372 CarbonylContact C-O 3.36Å; L324-G372 WeakPolarHBondContact CA-O 3.41Å; W325-G372 PolarHBondContact N-O 3.42Å
373Y93.3Very high90.6Very high28 Ų2850 Ų5011%0.1128%0.276CS..EExtended strand (participates in β ladder)trans-126.4116-158.4-53.4-96000110.3L324 W325 A381 L382 F384L324-Y373 HydrophobicContact CD1-CD1 4.12Å; L324-Y373 HydrophobicContact CD2-CD1 4.31Å; L324-Y373 HydrophobicContact CD2-CE1 4.11Å; L324-Y373 HydrophobicContact CG-CD1 3.93Å; L324-Y373 HydrophobicContact CG-CE1 4.21Å; W325-Y373 HydrophobicContact CH2-CE2 4.47Å; W325-Y373 HydrophobicContact CZ3-CD1 4.39Å; W325-Y373 HydrophobicContact CZ3-CD2 4.47Å; W325-Y373 AromaticContact CZ3-CE1 3.78Å; W325-Y373 HydrophobicContact CZ3-CE1 3.78Å; W325-Y373 AromaticContact CZ3-CE2 3.82Å; W325-Y373 HydrophobicContact CZ3-CE2 3.82Å; W325-Y373 AromaticContact CZ3-CZ 3.47Å; W325-Y373 VanDerWaalsContact CZ3-CZ 3.47Å; Y373-A381 WeakPolarHBondContact O-CB 2.95Å; Y373-A381 PolarHBondContact O-N 3.34Å; Y373-L382 HydrophobicContact CD1-CD1 4.26Å; Y373-L382 HydrophobicContact CD2-CB 4.07Å; Y373-L382 HydrophobicContact CD2-CD1 3.87Å; Y373-L382 HydrophobicContact CG-CB 4.34Å; Y373-L382 HydrophobicContact CG-CD1 3.74Å; Y373-L382 HydrophobicContact CG-CG 4.44Å; Y373-L382 PolarHBondContact O-N 2.89Å; Y373-F384 HydrophobicContact CD2-CE1 4.44Å; Y373-F384 AromaticContact CD2-CE2 3.98Å; Y373-F384 HydrophobicContact CD2-CE2 3.98Å; Y373-F384 AromaticContact CD2-CZ 3.72Å; Y373-F384 HydrophobicContact CD2-CZ 3.72Å; Y373-F384 HydrophobicContact CE2-CD2 4.47Å; Y373-F384 HydrophobicContact CE2-CE1 4.4Å; Y373-F384 AromaticContact CE2-CE2 3.37Å; Y373-F384 HydrophobicContact CE2-CE2 3.37Å; Y373-F384 AromaticContact CE2-CZ 3.3Å; Y373-F384 HydrophobicContact CE2-CZ 3.3Å
374L94.1Very high90.5Very high0 Ų050.3 Ų50.30%028%0.275CS..EExtended strand (participates in β ladder)trans-112153.6175-47.2177.9000110.5M322 K323 H361 F362 F371 K379 V380M322-L374 WeakPolarHBondContact CA-O 3.4Å; M322-L374 WeakPolarHBondContact CB-O 3.49Å; K323-L374 HydrophobicContact CB-CB 4.16Å; K323-L374 PolarHBondContact N-O 3.31Å; K323-L374 WeakPolarHBondContact O-CB 3.26Å; K323-L374 PolarHBondContact O-N 3.07Å; H361-L374 HydrophobicContact CB-CD1 3.68Å; F362-L374 HydrophobicContact CD1-CD1 3.71Å; F362-L374 HydrophobicContact CD1-CD2 4.48Å; F362-L374 HydrophobicContact CD1-CG 3.95Å; F362-L374 HydrophobicContact CD2-CD1 4.4Å; F362-L374 HydrophobicContact CE1-CD1 3.4Å; F362-L374 HydrophobicContact CE1-CG 3.6Å; F362-L374 HydrophobicContact CE2-CD1 4.14Å; F362-L374 HydrophobicContact CG-CD1 4.21Å; F362-L374 HydrophobicContact CZ-CD1 3.63Å; F362-L374 HydrophobicContact CZ-CG 4.25Å; F371-L374 HydrophobicContact CB-CD2 4.29Å; L374-K379 CarbonylContact C-O 3.43Å; L374-K379 WeakPolarHBondContact CA-O 3.44Å; L374-K379 WeakPolarHBondContact CB-O 3.19Å; L374-V380 HydrophobicContact CD2-CB 4.35Å; L374-V380 HydrophobicContact CD2-CG2 3.95Å
375T93.9Very high90.5Very high40 Ų4049.9 Ų49.925%0.24527%0.273CS..  trans-67.9171.2167.772.60000110.3K323 E377 G378 K379 A381K323-T375 WeakPolarHBondContact CG-O 3.42Å; T375-E377 VanDerWaalsContact CB-OE2 3.24Å; T375-E377 WeakPolarHBondContact CB-OE2 3.4Å; T375-E377 PolarHBondContact O-N 3.23Å; T375-E377 PolarHBondContact OG1-N 2.73Å; T375-E377 PolarHBondContact OG1-OE2 3.36Å; T375-G378 PolarHBondContact O-N 3.07Å; T375-K379 HydrophobicContact CG2-CB 4.48Å; T375-K379 PolarHBondContact N-O 2.94Å; T375-K379 PolarHBondContact OG1-N 3.34Å; T375-A381 HydrophobicContact CG2-CB 3.84Å
376Q90.6Very high91Very high50 Ų5044.1 Ų44.123%0.23423%0.232CC..THydrogen-bonded Turntrans-55.6-36.7177.1-174.3176.3-4.300112.4D297 H300 F304 S321 K323 G378D297-Q376 WeakPolarHBondContact OD2-CG 3.36Å; D297-Q376 PolarHBondContact OD2-NE2 3.13Å; H300-Q376 WeakPolarHBondContact CB-O 3.44Å; F304-Q376 HydrophobicContact CE1-CG 4.17Å; S321-Q376 WeakPolarHBondContact O-CA 3.35Å; S321-Q376 WeakPolarHBondContact O-CB 3.3Å; K323-Q376 PolarHBondContact NZ-O 3.1Å; Q376-G378 PolarHBondContact O-N 3.27Å
377E92Very high91.4Very high95 Ų9535.9 Ų35.944%0.44420%0.196SC..THydrogen-bonded Turntrans-77.22.7179-49.774.7-160.600113.5T375T375-E377 VanDerWaalsContact CB-OE2 3.24Å; T375-E377 WeakPolarHBondContact CB-OE2 3.4Å; T375-E377 PolarHBondContact O-N 3.23Å; T375-E377 PolarHBondContact OG1-N 2.73Å; T375-E377 PolarHBondContact OG1-OE2 3.36Å
378G90.2Very high91.9Very high12 Ų1236 Ų3612%0.12420%0.197CC..SBendtrans79.716.4-179.700000114.5T375 Q376T375-G378 PolarHBondContact O-N 3.07Å; Q376-G378 PolarHBondContact O-N 3.27Å
379K92.5Very high92.1Very high145 Ų14540.1 Ų40.163%0.6321%0.208SC*.  trans-87146.5175.1-64.4178.7-177.7171.70110.6L374 T375 A381L374-K379 CarbonylContact C-O 3.43Å; L374-K379 WeakPolarHBondContact CA-O 3.44Å; L374-K379 WeakPolarHBondContact CB-O 3.19Å; T375-K379 HydrophobicContact CG2-CB 4.48Å; T375-K379 PolarHBondContact N-O 2.94Å; T375-K379 PolarHBondContact OG1-N 3.34Å; K379-A381 PolarHBondContact O-N 3.5Å; K379-A381 VanDerWaalsContact O-N 3.09Å
380V93.7Very high92.1Very high67 Ų6740 Ų4041%0.40621%0.207SC..EExtended strand (participates in β ladder)trans-61.4114.9177.3-177.50000110.1F371 L374 L382 D383F371-V380 HydrophobicContact CB-CG1 4.47Å; F371-V380 HydrophobicContact CD1-CG1 3.76Å; F371-V380 HydrophobicContact CD1-CG2 4.35Å; F371-V380 HydrophobicContact CD2-CG2 3.66Å; F371-V380 HydrophobicContact CE1-CG1 4.11Å; F371-V380 HydrophobicContact CE2-CG2 3.9Å; F371-V380 HydrophobicContact CG-CG1 4Å; F371-V380 HydrophobicContact CG-CG2 3.91Å; F371-V380 HydrophobicContact CZ-CG2 4.35Å; L374-V380 HydrophobicContact CD2-CB 4.35Å; L374-V380 HydrophobicContact CD2-CG2 3.95Å; V380-L382 WeakPolarHBondContact CG1-O 3.37Å; V380-D383 HydrophobicContact CG1-CB 4.21Å
381A92.6Very high92.1Very high44 Ų4440.1 Ų40.136%0.36421%0.209SC..EExtended strand (participates in β ladder)trans-89.8-41.1177.500000111.3M322 Y373 T375 K379M322-A381 HydrophobicContact CE-CB 3.69Å; Y373-A381 WeakPolarHBondContact O-CB 2.95Å; Y373-A381 PolarHBondContact O-N 3.34Å; T375-A381 HydrophobicContact CG2-CB 3.84Å; K379-A381 PolarHBondContact O-N 3.5Å; K379-A381 VanDerWaalsContact O-N 3.09Å
382L91.3Very high92.2Very high75 Ų7539.5 Ų39.539%0.39321%0.206SC..EExtended strand (participates in β ladder)trans-129.2125.8175.7-56.3166.9000108.5Y373 V380 F384Y373-L382 HydrophobicContact CD1-CD1 4.26Å; Y373-L382 HydrophobicContact CD2-CB 4.07Å; Y373-L382 HydrophobicContact CD2-CD1 3.87Å; Y373-L382 HydrophobicContact CG-CB 4.34Å; Y373-L382 HydrophobicContact CG-CD1 3.74Å; Y373-L382 HydrophobicContact CG-CG 4.44Å; Y373-L382 PolarHBondContact O-N 2.89Å; V380-L382 WeakPolarHBondContact CG1-O 3.37Å; L382-F384 HydrophobicContact CB-CD1 3.86Å; L382-F384 HydrophobicContact CB-CE1 3.56Å; L382-F384 HydrophobicContact CB-CZ 4.27Å; L382-F384 HydrophobicContact CD1-CE1 3.73Å; L382-F384 HydrophobicContact CD1-CZ 4.05Å; L382-F384 HydrophobicContact CD2-CE1 4.31Å; L382-F384 HydrophobicContact CG-CE1 4.05Å
383D90.9Very high92.5Very high90 Ų9039.7 Ų39.748%0.48121%0.207SC..  trans-93.4-3.9-169.767.8-16.2000114.2R51 F371 V380R51-D383 WeakPolarHBondContact CA-O 3.19Å; R51-D383 WeakPolarHBondContact CB-O 3.49Å; F371-D383 HydrophobicContact CE1-CB 4.28Å; V380-D383 HydrophobicContact CG1-CB 4.21Å
384F91.4Very high92.5Very high34 Ų3439 Ų3915%0.14921%0.205CC..  trans-68.5144.4175.365-103.7000111.8Y56 Y373 L382 G386Y56-F384 HydrophobicContact CE1-CB 3.98Å; Y56-F384 HydrophobicContact CE1-CG 4.5Å; Y373-F384 HydrophobicContact CD2-CE1 4.44Å; Y373-F384 AromaticContact CD2-CE2 3.98Å; Y373-F384 HydrophobicContact CD2-CE2 3.98Å; Y373-F384 AromaticContact CD2-CZ 3.72Å; Y373-F384 HydrophobicContact CD2-CZ 3.72Å; Y373-F384 HydrophobicContact CE2-CD2 4.47Å; Y373-F384 HydrophobicContact CE2-CE1 4.4Å; Y373-F384 AromaticContact CE2-CE2 3.37Å; Y373-F384 HydrophobicContact CE2-CE2 3.37Å; Y373-F384 AromaticContact CE2-CZ 3.3Å; Y373-F384 HydrophobicContact CE2-CZ 3.3Å; L382-F384 HydrophobicContact CB-CD1 3.86Å; L382-F384 HydrophobicContact CB-CE1 3.56Å; L382-F384 HydrophobicContact CB-CZ 4.27Å; L382-F384 HydrophobicContact CD1-CE1 3.73Å; L382-F384 HydrophobicContact CD1-CZ 4.05Å; L382-F384 HydrophobicContact CD2-CE1 4.31Å; L382-F384 HydrophobicContact CG-CE1 4.05Å; F384-G386 WeakPolarHBondContact CD2-O 3.33Å
385K92Very high92.6Very high0 Ų039 Ų390%021%0.205CC..SBendtrans-90.5-23.3-178.5-59.5-59.6175.659.40112.6F32 I49 R51 D364 G368 E369 F371 K390F32-K385 HydrophobicContact CE1-CB 3.94Å; F32-K385 HydrophobicContact CE2-CG 4.31Å; F32-K385 HydrophobicContact CZ-CB 3.65Å; F32-K385 HydrophobicContact CZ-CG 3.84Å; I49-K385 PolarHBondContact O-N 3.42Å; R51-K385 PolarHBondContact O-NZ 3.38Å; D364-K385 WeakPolarHBondContact OD2-CE 3.35Å; D364-K385 IonicContact OD2-NZ 2.8Å; D364-K385 PolarHBondContact OD2-NZ 3.04Å; G368-K385 PolarHBondContact O-NZ 3.02Å; E369-K385 HydrophobicContact CB-CB 4.4Å; E369-K385 HydrophobicContact CB-CD 4.25Å; E369-K385 HydrophobicContact CB-CG 4.49Å; F371-K385 HydrophobicContact CD1-CD 4.4Å; K385-K390 WeakPolarHBondContact O-CD 3.47Å; K385-K390 PolarHBondContact O-NZ 3.1Å
386G91.9Very high92.7Very high0 Ų037 Ų370%019%0.193CC..  trans-146.8161.3170.600000111.1T47 I49 Y56 F384 K390T47-G386 CarbonylContact O-C 3.53Å; T47-G386 WeakPolarHBondContact O-CA 3.36Å; I49-G386 PolarHBondContact N-O 2.75Å; I49-G386 PolarHBondContact O-N 3.02Å; Y56-G386 PolarHBondContact OH-O 3.09Å; F384-G386 WeakPolarHBondContact CD2-O 3.33Å; G386-K390 WeakPolarHBondContact CA-O 3.45Å
387G92.3Very high92.9Very high0 Ų035 Ų350%018%0.183CC..  trans-163.9-150.7-177.200000112.5T47 Y56 L64 F389 K390T47-G387 PolarHBondContact O-N 2.7Å; T47-G387 PolarHBondContact OG1-O 2.83Å; T47-G387 VanDerWaalsContact OG1-O 3.1Å; Y56-G387 VanDerWaalsContact OH-CA 3.32Å; Y56-G387 WeakPolarHBondContact OH-CA 3.24Å; L64-G387 WeakPolarHBondContact CD1-O 3.48Å; G387-F389 VanDerWaalsContact C-N 3.27Å; G387-F389 PolarHBondContact O-N 3.19Å; G387-K390 PolarHBondContact N-O 3.4Å
388P90.4Very high93.1Very high37 Ų3730.5 Ų30.524%0.2416%0.162CC..SBendtrans-66-27.4-179.3-23.534.7000114.3Y61Y61-P388 HydrophobicContact CD1-CB 4.39Å; Y61-P388 HydrophobicContact CE1-CB 3.82Å; Y61-P388 HydrophobicContact CE2-CB 4.03Å; Y61-P388 HydrophobicContact CE2-CG 4.26Å
389F90Very high93.4Very high108 Ų10830 Ų3047%0.47416%0.156SC..SBendtrans-123.7-11.2-175.7-56.9-75000113.7F115 G387F115-F389 HydrophobicContact CZ-CE1 4.06Å; G387-F389 VanDerWaalsContact C-N 3.27Å; G387-F389 PolarHBondContact O-N 3.19Å
390K93.8Very high93.5Very high0 Ų024.7 Ų24.70%013%0.133CC..  trans-107.3123.8176.2-171.5168.3-172.4-60.10110.3W325 E369 W370 K385 G386 G387W325-K390 HydrophobicContact CD2-CD 3.79Å; W325-K390 HydrophobicContact CD2-CG 4.26Å; W325-K390 HydrophobicContact CE3-CD 4.09Å; W325-K390 HydrophobicContact CG-CD 4.37Å; W325-K390 HydrophobicContact CH2-CB 3.49Å; W325-K390 VanDerWaalsContact CH2-CB 3.49Å; W325-K390 HydrophobicContact CH2-CD 4.1Å; W325-K390 HydrophobicContact CH2-CG 3.9Å; W325-K390 HydrophobicContact CZ2-CB 3.44Å; W325-K390 VanDerWaalsContact CZ2-CB 3.44Å; W325-K390 HydrophobicContact CZ2-CD 3.86Å; W325-K390 HydrophobicContact CZ2-CG 3.42Å; W325-K390 VanDerWaalsContact CZ2-CG 3.42Å; W325-K390 HydrophobicContact CZ3-CB 4.27Å; W325-K390 HydrophobicContact CZ3-CD 4.21Å; E369-K390 VanDerWaalsContact CD-NZ 3.29Å; E369-K390 IonicContact OE1-NZ 3.36Å; E369-K390 PolarHBondContact OE1-NZ 3.01Å; E369-K390 IonicContact OE2-NZ 3.06Å; E369-K390 PolarHBondContact OE2-NZ 3.41Å; W370-K390 WeakPolarHBondContact O-CE 3.42Å; W370-K390 PolarHBondContact O-NZ 3.29Å; W370-K390 VanDerWaalsContact O-NZ 3.07Å; K385-K390 WeakPolarHBondContact O-CD 3.47Å; K385-K390 PolarHBondContact O-NZ 3.1Å; G386-K390 WeakPolarHBondContact CA-O 3.45Å; G387-K390 PolarHBondContact N-O 3.4Å
391G94.1Very high93.5Very high3 Ų323 Ų233%0.03112%0.121CC..  trans-149.5-172.817800000111.5W33 F393W33-G391 VanDerWaalsContact CH2-CA 3.5Å; G391-F393 VanDerWaalsContact C-N 3.25Å; G391-F393 PolarHBondContact O-N 2.78Å
392F95.5Very high93.6Very high1 Ų121 Ų210%0.00410%0.104CC..SBendtrans-70.776176.4-170.2-113.7000111.9V29 V30 W33 Q68 M71 Y72 L75 P396V29-F392 HydrophobicContact CG1-CD2 4.33Å; V29-F392 HydrophobicContact CG1-CE2 4.11Å; V30-F392 HydrophobicContact CG2-CE2 4.13Å; V30-F392 HydrophobicContact CG2-CZ 3.9Å; W33-F392 HydrophobicContact CB-CB 4.32Å; W33-F392 HydrophobicContact CB-CD2 3.63Å; W33-F392 HydrophobicContact CB-CE2 4.09Å; W33-F392 HydrophobicContact CB-CG 4.03Å; W33-F392 AromaticContact CD1-CD2 3.17Å; W33-F392 AromaticContact CD1-CE2 3.87Å; W33-F392 HydrophobicContact CD2-CB 3.62Å; W33-F392 HydrophobicContact CD2-CD2 4.02Å; W33-F392 HydrophobicContact CD2-CG 4.2Å; W33-F392 HydrophobicContact CE3-CB 3.89Å; W33-F392 HydrophobicContact CG-CB 3.8Å; W33-F392 AromaticContact CG-CD2 3.3Å; W33-F392 HydrophobicContact CG-CD2 3.3Å; W33-F392 HydrophobicContact CG-CE2 4.11Å; W33-F392 AromaticContact CG-CG 3.82Å; W33-F392 HydrophobicContact CG-CG 3.82Å; W33-F392 AromaticContact NE1-CD2 3.75Å; Q68-F392 HydrophobicContact CB-CB 4.18Å; Q68-F392 HydrophobicContact CG-CB 3.9Å; Q68-F392 HydrophobicContact CG-CD1 3.93Å; Q68-F392 HydrophobicContact CG-CG 4.34Å; M71-F392 HydrophobicContact CB-CD1 3.64Å; M71-F392 HydrophobicContact CB-CE1 3.6Å; M71-F392 HydrophobicContact CG-CD1 3.63Å; M71-F392 HydrophobicContact CG-CE1 3.24Å; M71-F392 HydrophobicContact CG-CG 4.47Å; M71-F392 HydrophobicContact CG-CZ 3.83Å; Y72-F392 AromaticContact CD1-CD1 3.91Å; Y72-F392 HydrophobicContact CD1-CD1 3.91Å; Y72-F392 AromaticContact CD1-CE1 3.24Å; Y72-F392 HydrophobicContact CD1-CE1 3.24Å; Y72-F392 AromaticContact CD1-CZ 3.96Å; Y72-F392 HydrophobicContact CD1-CZ 3.96Å; Y72-F392 AromaticContact CE1-CD1 3.67Å; Y72-F392 HydrophobicContact CE1-CD1 3.67Å; Y72-F392 AromaticContact CE1-CE1 3.21Å; Y72-F392 HydrophobicContact CE1-CE1 3.21Å; Y72-F392 HydrophobicContact CE1-CG 4.49Å; Y72-F392 AromaticContact CE1-CZ 3.68Å; Y72-F392 HydrophobicContact CE1-CZ 3.68Å; Y72-F392 HydrophobicContact CG-CE1 4.24Å; L75-F392 HydrophobicContact CD1-CE1 4.22Å; L75-F392 HydrophobicContact CD1-CZ 3.78Å; F392-P396 HydrophobicContact CD1-CG 4.4Å; F392-P396 HydrophobicContact CD2-CB 4.07Å; F392-P396 HydrophobicContact CD2-CG 3.55Å; F392-P396 HydrophobicContact CE1-CG 4.41Å; F392-P396 HydrophobicContact CE2-CB 3.58Å; F392-P396 HydrophobicContact CE2-CG 3.62Å; F392-P396 HydrophobicContact CG-CG 4.01Å; F392-P396 HydrophobicContact CZ-CB 3.85Å; F392-P396 HydrophobicContact CZ-CG 4.05Å
393F95.3Very high93.8Very high4 Ų417.7 Ų17.72%0.0189%0.087CC..SBendtrans-148.5-81.6-178-166.9-114000113.8R67 W70 F135 M138 G391 V395 P396 R397R67-F393 HydrophobicContact CB-CB 3.77Å; R67-F393 HydrophobicContact CB-CD1 4.49Å; R67-F393 HydrophobicContact CB-CD2 3.41Å; R67-F393 VanDerWaalsContact CB-CD2 3.41Å; R67-F393 HydrophobicContact CB-CE2 4.08Å; R67-F393 HydrophobicContact CB-CG 3.63Å; R67-F393 HydrophobicContact CG-CB 4.11Å; R67-F393 HydrophobicContact CG-CD1 3.94Å; R67-F393 HydrophobicContact CG-CD2 3.5Å; R67-F393 VanDerWaalsContact CG-CD2 3.5Å; R67-F393 HydrophobicContact CG-CE1 4.21Å; R67-F393 HydrophobicContact CG-CE2 3.78Å; R67-F393 HydrophobicContact CG-CG 3.56Å; R67-F393 HydrophobicContact CG-CZ 4.13Å; W70-F393 HydrophobicContact CD2-CE2 4.15Å; W70-F393 AromaticContact CE3-CD2 3.88Å; W70-F393 HydrophobicContact CE3-CD2 3.88Å; W70-F393 AromaticContact CE3-CE2 3.48Å; W70-F393 HydrophobicContact CE3-CE2 3.48Å; W70-F393 VanDerWaalsContact CE3-CE2 3.48Å; W70-F393 HydrophobicContact CZ3-CD2 4.14Å; W70-F393 AromaticContact CZ3-CE2 3.71Å; W70-F393 HydrophobicContact CZ3-CE2 3.71Å; F135-F393 HydrophobicContact CE1-CE1 4.47Å; F135-F393 HydrophobicContact CE1-CZ 4.32Å; M138-F393 HydrophobicContact CE-CE2 4.39Å; M138-F393 HydrophobicContact CE-CZ 4.34Å; G391-F393 VanDerWaalsContact C-N 3.25Å; G391-F393 PolarHBondContact O-N 2.78Å; F393-V395 PolarHBondContact O-N 3.08Å; F393-P396 VanDerWaalsContact O-CD 3.25Å; F393-P396 WeakPolarHBondContact O-CD 3.35Å; F393-P396 VanDerWaalsContact O-CG 3.3Å; F393-P396 WeakPolarHBondContact O-CG 3.33Å; F393-R397 WeakPolarHBondContact O-CB 3.24Å; F393-R397 PolarHBondContact O-N 3.47Å
394H94.8Very high93.8Very high13 Ų1315.3 Ų15.36%0.068%0.077CC..Hα-helixtrans-58.3-46.1-171.5-72.7-79000112.5R67 E262 W326 E330 R397 C398R67-H394 PolarHBondContact NH1-NE2 3.49Å; E262-H394 IonicContact OE1-CE1 3.96Å; W326-H394 HydrophobicContact CB-CB 3.94Å; E330-H394 IonicContact OE1-CE1 3.9Å; E330-H394 IonicContact OE1-CG 2.74Å; E330-H394 IonicContact OE1-ND1 3.12Å; E330-H394 PolarHBondContact OE1-ND1 3.17Å; H394-R397 PolarHBondContact ND1-NH2 3.1Å; H394-C398 WeakPolarHBondContact O-CB 3.37Å; H394-C398 PolarHBondContact O-N 3.3Å
395V95.4Very high93.9Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-62.4-60.9178.6-178.70000111.6V29 W370 F393 R397 C398 L399V29-V395 HydrophobicContact CG1-CG1 4.17Å; V29-V395 HydrophobicContact CG2-CG1 3.88Å; W370-V395 HydrophobicContact CB-CG2 4.37Å; W370-V395 HydrophobicContact CD2-CG1 3.73Å; W370-V395 HydrophobicContact CD2-CG2 4.15Å; W370-V395 HydrophobicContact CE3-CG1 4.1Å; W370-V395 HydrophobicContact CE3-CG2 3.92Å; W370-V395 HydrophobicContact CG-CG1 4.04Å; W370-V395 HydrophobicContact CG-CG2 4.38Å; W370-V395 HydrophobicContact CZ2-CG1 4.32Å; F393-V395 PolarHBondContact O-N 3.08Å; V395-R397 VanDerWaalsContact C-N 3.31Å; V395-R397 PolarHBondContact O-N 3.11Å; V395-C398 PolarHBondContact O-N 2.86Å; V395-L399 HydrophobicContact CG1-CD1 3.81Å; V395-L399 HydrophobicContact CG1-CG 4.49Å; V395-L399 VanDerWaalsContact O-CG 3.3Å; V395-L399 WeakPolarHBondContact O-CG 3.49Å; V395-L399 PolarHBondContact O-N 2.89Å
396P95.8Very high93.9Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-63.9-33.6-178.927.4-38000112.9L26 V29 M71 F392 F393 Y400L26-P396 HydrophobicContact CD1-CB 3.93Å; V29-P396 HydrophobicContact CG1-CB 4.29Å; M71-P396 HydrophobicContact CE-CB 4.2Å; M71-P396 HydrophobicContact CG-CB 3.93Å; M71-P396 HydrophobicContact CG-CG 3.73Å; M71-P396 HydrophobicContact SD-CB 3.94Å; M71-P396 HydrophobicContact SD-CG 3.89Å; F392-P396 HydrophobicContact CD1-CG 4.4Å; F392-P396 HydrophobicContact CD2-CB 4.07Å; F392-P396 HydrophobicContact CD2-CG 3.55Å; F392-P396 HydrophobicContact CE1-CG 4.41Å; F392-P396 HydrophobicContact CE2-CB 3.58Å; F392-P396 HydrophobicContact CE2-CG 3.62Å; F392-P396 HydrophobicContact CG-CG 4.01Å; F392-P396 HydrophobicContact CZ-CB 3.85Å; F392-P396 HydrophobicContact CZ-CG 4.05Å; F393-P396 VanDerWaalsContact O-CD 3.25Å; F393-P396 WeakPolarHBondContact O-CD 3.35Å; F393-P396 VanDerWaalsContact O-CG 3.3Å; F393-P396 WeakPolarHBondContact O-CG 3.33Å; P396-Y400 WeakPolarHBondContact O-CB 3.18Å; P396-Y400 PolarHBondContact O-N 2.99Å
397R96Very high93.8Very high7 Ų716.4 Ų16.43%0.0268%0.084CC..Hα-helixtrans-63.4-50.4175.6-179.5-177.873.8175.6-1.1111W70 M71 E262 E330 F393 H394 V395 Y400 M401W70-R397 HydrophobicContact CH2-CG 4.02Å; W70-R397 HydrophobicContact CZ3-CB 4.28Å; W70-R397 HydrophobicContact CZ3-CG 4.16Å; M71-R397 HydrophobicContact SD-CB 3.94Å; M71-R397 PolarHBondContact SD-N 3.43Å; E262-R397 IonicContact OE1-CZ 3.07Å; E262-R397 IonicContact OE1-NH1 2.97Å; E262-R397 PolarHBondContact OE1-NH1 3.02Å; E262-R397 IonicContact OE1-NH2 2.77Å; E262-R397 PolarHBondContact OE1-NH2 3.34Å; E330-R397 IonicContact OE1-CZ 3.53Å; E330-R397 IonicContact OE1-NE 3.65Å; E330-R397 IonicContact OE1-NH2 3.34Å; E330-R397 PolarHBondContact OE1-NH2 3.03Å; E330-R397 IonicContact OE2-CZ 2.99Å; E330-R397 IonicContact OE2-NH2 3.49Å; E330-R397 PolarHBondContact OE2-NH2 3.33Å; F393-R397 WeakPolarHBondContact O-CB 3.24Å; F393-R397 PolarHBondContact O-N 3.47Å; H394-R397 PolarHBondContact ND1-NH2 3.1Å; V395-R397 VanDerWaalsContact C-N 3.31Å; V395-R397 PolarHBondContact O-N 3.11Å; R397-Y400 PolarHBondContact O-N 3.06Å; R397-M401 HydrophobicContact CG-CG 4.31Å; R397-M401 HydrophobicContact CG-SD 3.74Å; R397-M401 WeakPolarHBondContact O-CB 3.48Å; R397-M401 VanDerWaalsContact O-CG 3.26Å; R397-M401 WeakPolarHBondContact O-CG 3.26Å; R397-M401 PolarHBondContact O-N 2.97Å
398C95.4Very high93.6Very high0 Ų020.6 Ų20.60%011%0.106CC..Hα-helixtrans-56.8-51.9177.6167.70000110.7S329 V333 H394 V395 Y400 M401 C402S329-C398 PolarHBondContact O-SG 3.24Å; V333-C398 HydrophobicContact CG2-CB 4.03Å; H394-C398 WeakPolarHBondContact O-CB 3.37Å; H394-C398 PolarHBondContact O-N 3.3Å; V395-C398 PolarHBondContact O-N 2.86Å; C398-Y400 PolarHBondContact O-N 3.01Å; C398-M401 PolarHBondContact O-N 3.48Å; C398-C402 VanDerWaalsContact O-CB 3.32Å; C398-C402 WeakPolarHBondContact O-CB 3.4Å; C398-C402 PolarHBondContact O-N 2.88Å; C398-C402 PolarHBondContact O-SG 3.49Å
399L95.6Very high93.5Very high1 Ų119.7 Ų19.71%0.00510%0.1CC..Hα-helixtrans-62.1-43.2-178.9-64.1170.3000111.9I22 Q25 L26 V29 F359 W370 V395 E403I22-L399 HydrophobicContact CB-CD2 4.36Å; I22-L399 HydrophobicContact CG1-CD2 4.28Å; I22-L399 HydrophobicContact CG2-CB 4.08Å; I22-L399 HydrophobicContact CG2-CD2 3.86Å; I22-L399 VanDerWaalsContact CG2-O 3.23Å; I22-L399 WeakPolarHBondContact CG2-O 3.23Å; Q25-L399 HydrophobicContact CB-CD1 4.15Å; Q25-L399 HydrophobicContact CB-CD2 4.32Å; L26-L399 HydrophobicContact CB-CB 3.94Å; L26-L399 HydrophobicContact CB-CD1 4.33Å; L26-L399 HydrophobicContact CD1-CB 4.11Å; L26-L399 HydrophobicContact CG-CB 4.42Å; V29-L399 HydrophobicContact CG2-CD1 4.19Å; F359-L399 HydrophobicContact CE1-CD2 4.15Å; F359-L399 HydrophobicContact CZ-CD2 3.71Å; W370-L399 HydrophobicContact CH2-CD2 4.38Å; W370-L399 HydrophobicContact CZ2-CD1 4.37Å; W370-L399 HydrophobicContact CZ2-CD2 3.97Å; W370-L399 HydrophobicContact CZ2-CG 4.46Å; V395-L399 HydrophobicContact CG1-CD1 3.81Å; V395-L399 HydrophobicContact CG1-CG 4.49Å; V395-L399 VanDerWaalsContact O-CG 3.3Å; V395-L399 WeakPolarHBondContact O-CG 3.49Å; V395-L399 PolarHBondContact O-N 2.89Å; L399-E403 VanDerWaalsContact O-CB 3.28Å; L399-E403 WeakPolarHBondContact O-CB 3.38Å; L399-E403 PolarHBondContact O-N 3.45Å
400Y95Very high93.3Very high34 Ų3416 Ų1613%0.1339%0.085CC..Hα-helixtrans-60.3-49.5175160.7-113.7000112.2M71 R74 L75 S78 V79 P396 R397 C398 E403 S404M71-Y400 HydrophobicContact CE-CD1 4.35Å; M71-Y400 HydrophobicContact CE-CG 4.41Å; R74-Y400 HydrophobicContact CG-CE1 4.01Å; L75-Y400 HydrophobicContact CD2-CD2 4.23Å; L75-Y400 HydrophobicContact CD2-CG 4.18Å; S78-Y400 WeakPolarHBondContact CB-OH 3.36Å; S78-Y400 PolarHBondContact OG-OH 3.09Å; S78-Y400 VanDerWaalsContact OG-OH 3.11Å; V79-Y400 HydrophobicContact CG2-CD2 3.56Å; V79-Y400 HydrophobicContact CG2-CE2 3.59Å; P396-Y400 WeakPolarHBondContact O-CB 3.18Å; P396-Y400 PolarHBondContact O-N 2.99Å; R397-Y400 PolarHBondContact O-N 3.06Å; C398-Y400 PolarHBondContact O-N 3.01Å; Y400-E403 PolarHBondContact O-N 3.34Å; Y400-S404 WeakPolarHBondContact CE2-OG 3.16Å; Y400-S404 PolarHBondContact O-N 2.85Å; Y400-S404 PolarHBondContact O-OG 2.79Å
401M94.8Very high92.6Very high32 Ų3218.7 Ų18.716%0.15811%0.112CC..Hα-helixtrans-65.1-43-179.7-72-179.571.600111.4W265 V333 R397 C398 S404 L405W265-M401 HydrophobicContact CE3-CE 4Å; W265-M401 HydrophobicContact CH2-CE 4.09Å; W265-M401 HydrophobicContact CH2-SD 4.22Å; W265-M401 HydrophobicContact CZ3-CE 3.69Å; W265-M401 HydrophobicContact CZ3-SD 4.42Å; V333-M401 HydrophobicContact CG1-CB 4.4Å; V333-M401 HydrophobicContact CG1-CE 3.53Å; V333-M401 HydrophobicContact CG1-SD 4.11Å; V333-M401 HydrophobicContact CG2-CB 4.19Å; R397-M401 HydrophobicContact CG-CG 4.31Å; R397-M401 HydrophobicContact CG-SD 3.74Å; R397-M401 WeakPolarHBondContact O-CB 3.48Å; R397-M401 VanDerWaalsContact O-CG 3.26Å; R397-M401 WeakPolarHBondContact O-CG 3.26Å; R397-M401 PolarHBondContact O-N 2.97Å; C398-M401 PolarHBondContact O-N 3.48Å; M401-S404 PolarHBondContact O-N 2.84Å; M401-L405 WeakPolarHBondContact O-CB 3.46Å; M401-L405 VanDerWaalsContact O-CG 3.27Å; M401-L405 WeakPolarHBondContact O-CG 3.07Å; M401-L405 PolarHBondContact O-N 3.47Å
402C94.6Very high91Very high1 Ų122.4 Ų22.41%0.00713%0.127CC..Hα-helixtrans-65.2-39.9177-70.50000112I22 L336 C398 L405 L406I22-C402 HydrophobicContact CD1-CB 4.03Å; I22-C402 HydrophobicContact CG2-CB 4.37Å; L336-C402 HydrophobicContact CD2-CB 3.81Å; L336-C402 WeakPolarHBondContact CD2-O 3.33Å; C398-C402 VanDerWaalsContact O-CB 3.32Å; C398-C402 WeakPolarHBondContact O-CB 3.4Å; C398-C402 PolarHBondContact O-N 2.88Å; C398-C402 PolarHBondContact O-SG 3.49Å; C402-L405 PolarHBondContact O-N 2.96Å; C402-L406 WeakPolarHBondContact O-CB 3.43Å; C402-L406 WeakPolarHBondContact O-CD1 3.37Å; C402-L406 WeakPolarHBondContact O-CG 3.48Å; C402-L406 PolarHBondContact O-N 2.8Å
403E94.3Very high89Confident7 Ų729.6 Ų29.63%0.03316%0.161CC..Hα-helixtrans-59.7-49.8173.8-178.8178-177.500111.4I22 R23 R81 L399 Y400 L405 L406 D407I22-E403 HydrophobicContact CG2-CB 4.18Å; R23-E403 WeakPolarHBondContact CD-OE1 3.36Å; R23-E403 WeakPolarHBondContact CG-OE1 3.4Å; R23-E403 IonicContact NE-OE1 3.97Å; R81-E403 IonicContact CZ-OE1 2.78Å; R81-E403 IonicContact CZ-OE2 2.66Å; R81-E403 IonicContact NH1-OE1 3.87Å; R81-E403 PolarHBondContact NH1-OE1 2.9Å; R81-E403 IonicContact NH1-OE2 3.44Å; R81-E403 PolarHBondContact NH1-OE2 3.21Å; R81-E403 IonicContact NH2-OE1 2.74Å; R81-E403 PolarHBondContact NH2-OE1 3.38Å; R81-E403 IonicContact NH2-OE2 3.47Å; R81-E403 PolarHBondContact NH2-OE2 2.74Å; L399-E403 VanDerWaalsContact O-CB 3.28Å; L399-E403 WeakPolarHBondContact O-CB 3.38Å; L399-E403 PolarHBondContact O-N 3.45Å; Y400-E403 PolarHBondContact O-N 3.34Å; E403-L405 PolarHBondContact O-N 2.91Å; E403-L406 PolarHBondContact O-N 3.38Å; E403-D407 PolarHBondContact O-N 2.73Å
404S92.6Very high86.2Confident40 Ų4036.2 Ų36.228%0.2823%0.23SC..Hα-helixtrans-61.9-43.3179.3-62.30000112.2Y400 M401 L406 D407 D408Y400-S404 WeakPolarHBondContact CE2-OG 3.16Å; Y400-S404 PolarHBondContact O-N 2.85Å; Y400-S404 PolarHBondContact O-OG 2.79Å; M401-S404 PolarHBondContact O-N 2.84Å; S404-L406 PolarHBondContact O-N 3.15Å; S404-D407 WeakPolarHBondContact O-CB 3.16Å; S404-D407 PolarHBondContact O-N 3.23Å; S404-D408 PolarHBondContact O-N 3.16Å
405L92.3Very high85.8Confident27 Ų2737.4 Ų37.414%0.14124%0.239CC..Hα-helixtrans-63.7-40.2176-73.3169.3000111.8L336 M337 M401 C402 E403 D408 L409L336-L405 HydrophobicContact CB-CD1 4.26Å; L336-L405 HydrophobicContact CD2-CB 3.63Å; L336-L405 HydrophobicContact CD2-CD1 4.06Å; L336-L405 HydrophobicContact CG-CB 3.92Å; L336-L405 HydrophobicContact CG-CD1 4.12Å; M337-L405 HydrophobicContact CB-CD1 4.12Å; M401-L405 WeakPolarHBondContact O-CB 3.46Å; M401-L405 VanDerWaalsContact O-CG 3.27Å; M401-L405 WeakPolarHBondContact O-CG 3.07Å; M401-L405 PolarHBondContact O-N 3.47Å; C402-L405 PolarHBondContact O-N 2.96Å; E403-L405 PolarHBondContact O-N 2.91Å; L405-D408 PolarHBondContact O-N 3.12Å; L405-L409 WeakPolarHBondContact O-CB 3.26Å; L405-L409 WeakPolarHBondContact O-CG 3.29Å; L405-L409 PolarHBondContact O-N 2.81Å
406L92Very high85.3Confident0 Ų039.4 Ų39.40%025%0.251CS..Hα-helixtrans-67.6-37.5176.3-72.5166.5000112.1L15 R19 I22 L336 C402 E403 S404 L409 L410L15-L406 HydrophobicContact CB-CD2 4.25Å; L15-L406 HydrophobicContact CD2-CD2 3.67Å; R19-L406 HydrophobicContact CB-CB 4.07Å; R19-L406 HydrophobicContact CB-CD1 3.88Å; R19-L406 HydrophobicContact CG-CB 4.07Å; R19-L406 HydrophobicContact CG-CD1 4.48Å; I22-L406 HydrophobicContact CD1-CD1 3.67Å; L336-L406 HydrophobicContact CD1-CD2 3.93Å; L336-L406 HydrophobicContact CD1-CG 4.39Å; L336-L406 HydrophobicContact CD2-CD1 4.49Å; L336-L406 HydrophobicContact CD2-CD2 4.35Å; L336-L406 HydrophobicContact CD2-CG 3.92Å; C402-L406 WeakPolarHBondContact O-CB 3.43Å; C402-L406 WeakPolarHBondContact O-CD1 3.37Å; C402-L406 WeakPolarHBondContact O-CG 3.48Å; C402-L406 PolarHBondContact O-N 2.8Å; E403-L406 PolarHBondContact O-N 3.38Å; S404-L406 PolarHBondContact O-N 3.15Å; L406-L409 HydrophobicContact CD2-CD1 4.24Å; L406-L409 PolarHBondContact O-N 3.25Å; L406-L410 WeakPolarHBondContact O-CB 3.4Å; L406-L410 VanDerWaalsContact O-CG 3.32Å; L406-L410 WeakPolarHBondContact O-CG 3.44Å; L406-L410 PolarHBondContact O-N 3.3Å
407D89.7Confident84.7Confident29 Ų2941.6 Ų41.616%0.15527%0.265CS..Hα-helixtrans-58.3-47.6172.7-86.4-39.6000111.4R19 E403 S404 L410 G411 K412R19-D407 IonicContact CZ-OD1 3.2Å; R19-D407 IonicContact NE-OD1 3.37Å; R19-D407 PolarHBondContact NE-OD1 2.71Å; R19-D407 IonicContact NE-OD2 3.82Å; R19-D407 IonicContact NH2-OD1 4Å; R19-D407 PolarHBondContact NH2-OD1 3.02Å; R19-D407 IonicContact NH2-OD2 2.71Å; R19-D407 PolarHBondContact NH2-OD2 3.26Å; E403-D407 PolarHBondContact O-N 2.73Å; S404-D407 WeakPolarHBondContact O-CB 3.16Å; S404-D407 PolarHBondContact O-N 3.23Å; D407-L410 PolarHBondContact O-N 3.34Å; D407-G411 PolarHBondContact O-N 2.91Å; D407-K412 PolarHBondContact O-N 3.38Å
408D88.4Confident84.1Confident88 Ų8843.6 Ų43.647%0.47128%0.279SS..Hα-helixtrans-64.4-41.9176.8-70.7-22.7000112.2S404 L405 L410 G411 H413S404-D408 PolarHBondContact O-N 3.16Å; L405-D408 PolarHBondContact O-N 3.12Å; D408-L410 VanDerWaalsContact C-N 3.32Å; D408-L410 PolarHBondContact O-N 2.88Å; D408-G411 PolarHBondContact O-N 3.26Å; D408-H413 IonicContact OD1-CE1 3.37Å; D408-H413 PolarHBondContact OD1-CE1 2.58Å; D408-H413 IonicContact OD1-ND1 3.84Å
409L87.6Confident83.3Confident19 Ų1946.3 Ų46.310%0.09930%0.297CS..Hα-helixtrans-63.6-36.9178.5-73.3169.5000112.6L336 Y339 L405 L406L336-L409 HydrophobicContact CD1-CD1 3.55Å; L336-L409 HydrophobicContact CG-CD1 4.26Å; Y339-L409 HydrophobicContact CD1-CD1 3.92Å; Y339-L409 HydrophobicContact CD1-CD2 3.95Å; Y339-L409 HydrophobicContact CE1-CD1 4.11Å; Y339-L409 HydrophobicContact CE1-CD2 3.85Å; L405-L409 WeakPolarHBondContact O-CB 3.26Å; L405-L409 WeakPolarHBondContact O-CG 3.29Å; L405-L409 PolarHBondContact O-N 2.81Å; L406-L409 HydrophobicContact CD2-CD1 4.24Å; L406-L409 PolarHBondContact O-N 3.25Å
410L86.1Confident82.5Confident31 Ų3149.3 Ų49.316%0.16232%0.316CS..Hα-helixtrans-91.2-1.4-178-66.6166.5000112.9N12 L15 E16 L406 D407 D408 K412N12-L410 HydrophobicContact CB-CD2 4.15Å; L15-L410 HydrophobicContact CB-CD1 4.47Å; L15-L410 HydrophobicContact CB-CD2 4.2Å; E16-L410 HydrophobicContact CB-CD1 4.43Å; L406-L410 WeakPolarHBondContact O-CB 3.4Å; L406-L410 VanDerWaalsContact O-CG 3.32Å; L406-L410 WeakPolarHBondContact O-CG 3.44Å; L406-L410 PolarHBondContact O-N 3.3Å; D407-L410 PolarHBondContact O-N 3.34Å; D408-L410 VanDerWaalsContact C-N 3.32Å; D408-L410 PolarHBondContact O-N 2.88Å; L410-K412 HydrophobicContact CB-CD 4.46Å; L410-K412 HydrophobicContact CB-CG 4.18Å; L410-K412 PolarHBondContact O-N 2.95Å
411G78.8Confident81.6Confident55 Ų5550.4 Ų50.457%0.56733%0.329SS*.THydrogen-bonded Turntrans66.525.9-178.600000113.4D407 D408 H413D407-G411 PolarHBondContact O-N 2.91Å; D408-G411 PolarHBondContact O-N 3.26Å; G411-H413 PolarHBondContact O-N 3.02Å
412K61.8Low80.6Confident82 Ų8251.8 Ų51.836%0.35734%0.343SS..  trans-93.674.1179.4-69-170.7172.1-168.40109.6E16 D407 L410 G414E16-K412 IonicContact OE1-NZ 2.64Å; E16-K412 PolarHBondContact OE1-NZ 2.91Å; E16-K412 WeakPolarHBondContact OE2-CE 3.49Å; E16-K412 IonicContact OE2-NZ 2.7Å; E16-K412 PolarHBondContact OE2-NZ 3.19Å; D407-K412 PolarHBondContact O-N 3.38Å; L410-K412 HydrophobicContact CB-CD 4.46Å; L410-K412 HydrophobicContact CB-CG 4.18Å; L410-K412 PolarHBondContact O-N 2.95Å; K412-G414 PolarHBondContact O-N 3.41Å
413H52.4Low79.5Confident151 Ų15156.1 Ų56.170%0.69937%0.371SS*.  trans-77.7105.4165.2-59.5-53.7000108D408 G411D408-H413 IonicContact OD1-CE1 3.37Å; D408-H413 PolarHBondContact OD1-CE1 2.58Å; D408-H413 IonicContact OD1-ND1 3.84Å; G411-H413 PolarHBondContact O-N 3.02Å
414G37.8Very low78.1Confident144 Ų14460.5 Ų60.5100%1.48540%0.401SS*.  trans-80.40170.300000111.4K412K412-G414 PolarHBondContact O-N 3.41Å

Retrieved 414 of 414 residues in 943.1 ms (Link to these results)

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