A0A077YW39_TRITR Loading...

TPR 11 and TPR 8 and TPR 9 domain containing prot ein

Involved in endocytosis.

AlphaFold DB , UniProt , Accession A0A077YW39, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 870 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
1M38.3Very low63.5Low196 Ų196117.1 Ų117.197%0.96656%0.561SS**  0-47.40-71.6-63.6-93.600112.9R5M1-R5 PolarHBondContact O-N 3.08Å; M1-R5 VanDerWaalsContact O-N 3.09Å
2S51.2Low65.1Low102 Ų102113.3 Ų113.371%0.71354%0.542SS*.Hα-helixtrans-61.5-44.3177.952.90000114.3R5 G6S2-R5 PolarHBondContact O-N 3.44Å; S2-G6 PolarHBondContact O-N 3.35Å
3K51.5Low66.6Low175 Ų175104.8 Ų104.876%0.76150%0.501SS*.Hα-helixtrans-60.7-47.4176.8-71.5-170.3175.7-174.10113.4R5 G6 E7K3-R5 VanDerWaalsContact C-N 3.32Å; K3-R5 PolarHBondContact O-N 2.97Å; K3-G6 PolarHBondContact O-N 3.44Å; K3-G6 VanDerWaalsContact O-N 3.15Å; K3-E7 PolarHBondContact O-N 3.37Å
4L52.2Low67.8Low101 Ų101101.2 Ų101.253%0.52948%0.484SS..Hα-helixtrans-63-34.6176.1-79.1156.4000113R8L4-R8 WeakPolarHBondContact O-CG 3.27Å; L4-R8 PolarHBondContact O-N 2.89Å
5R59.9Low68.8Low191 Ų191103.5 Ų103.572%0.72149%0.491SS*.Hα-helixtrans-70-38.3174.2-162177.1-174-172.71.1110.9M1 S2 K3 L9M1-R5 PolarHBondContact O-N 3.08Å; M1-R5 VanDerWaalsContact O-N 3.09Å; S2-R5 PolarHBondContact O-N 3.44Å; K3-R5 VanDerWaalsContact C-N 3.32Å; K3-R5 PolarHBondContact O-N 2.97Å; R5-L9 HydrophobicContact CG-CD1 4.42Å; R5-L9 WeakPolarHBondContact O-CD1 3.43Å; R5-L9 VanDerWaalsContact O-CG 3.27Å; R5-L9 WeakPolarHBondContact O-CG 3.39Å; R5-L9 PolarHBondContact O-N 3.35Å
6G65.6Low69.8Low14 Ų1497.4 Ų97.414%0.14446%0.463CS..Hα-helixtrans-62.9-47.1173.700000113S2 K3 R8 L9 L10S2-G6 PolarHBondContact O-N 3.35Å; K3-G6 PolarHBondContact O-N 3.44Å; K3-G6 VanDerWaalsContact O-N 3.15Å; G6-R8 PolarHBondContact O-N 3.09Å; G6-L9 PolarHBondContact O-N 3.07Å; G6-L10 WeakPolarHBondContact O-CG 3.22Å; G6-L10 PolarHBondContact O-N 3.27Å
7E69.3Low70.8Confident113 Ų11392.2 Ų92.253%0.52844%0.437SS..Hα-helixtrans-62.5-42.2177.8-75.4173-178.700112.9K3 L9 L10 N11K3-E7 PolarHBondContact O-N 3.37Å; E7-L9 VanDerWaalsContact C-N 3.34Å; E7-L9 PolarHBondContact O-N 3.03Å; E7-L10 PolarHBondContact O-N 3.21Å; E7-N11 VanDerWaalsContact O-CG 3.26Å; E7-N11 PolarHBondContact O-N 3.04Å
8R74.4Confident71.4Confident192 Ų19290.8 Ų90.873%0.72543%0.432SS*.Hα-helixtrans-62.3-41.5175.6-74.7-178.8-177.31800.6112.4L4 G6 N11 E12L4-R8 WeakPolarHBondContact O-CG 3.27Å; L4-R8 PolarHBondContact O-N 2.89Å; G6-R8 PolarHBondContact O-N 3.09Å; R8-N11 PolarHBondContact O-N 2.59Å; R8-E12 PolarHBondContact O-N 3.02Å
9L76.2Confident71.7Confident41 Ų4191.2 Ų91.222%0.21544%0.437CS..Hα-helixtrans-67.2-40.8176.7-71.9168.1000111.5R5 G6 E7 N11 E12 V13 V28 L34R5-L9 HydrophobicContact CG-CD1 4.42Å; R5-L9 WeakPolarHBondContact O-CD1 3.43Å; R5-L9 VanDerWaalsContact O-CG 3.27Å; R5-L9 WeakPolarHBondContact O-CG 3.39Å; R5-L9 PolarHBondContact O-N 3.35Å; G6-L9 PolarHBondContact O-N 3.07Å; E7-L9 VanDerWaalsContact C-N 3.34Å; E7-L9 PolarHBondContact O-N 3.03Å; L9-N11 PolarHBondContact O-N 3.28Å; L9-E12 PolarHBondContact O-N 3.14Å; L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 3Å; L9-V28 HydrophobicContact CD2-CG1 4.21Å; L9-L34 HydrophobicContact CB-CD1 4.48Å
10L78.1Confident72.1Confident48 Ų4887.8 Ų87.825%0.25143%0.427SS..Hα-helixtrans-61.2-42.7174.4-75178.3000112.1G6 E7 E12 V13 E14 L40 F47G6-L10 WeakPolarHBondContact O-CG 3.22Å; G6-L10 PolarHBondContact O-N 3.27Å; E7-L10 PolarHBondContact O-N 3.21Å; L10-E12 VanDerWaalsContact C-N 3.32Å; L10-E12 PolarHBondContact O-N 3.22Å; L10-V13 PolarHBondContact O-N 3.16Å; L10-E14 PolarHBondContact O-N 3.39Å; L10-L40 HydrophobicContact CD1-CD2 3.74Å; L10-L40 HydrophobicContact CD2-CD2 4.18Å; L10-L40 HydrophobicContact CG-CD2 4.19Å; L10-F47 HydrophobicContact CD2-CE2 3.72Å; L10-F47 HydrophobicContact CD2-CZ 4.11Å
11N81.4Confident72.7Confident115 Ų11587.2 Ų87.262%0.61543%0.426SS*.Hα-helixtrans-66-35.5176.6-68.9-11.2000112.1E7 R8 L9 K15E7-N11 VanDerWaalsContact O-CG 3.26Å; E7-N11 PolarHBondContact O-N 3.04Å; R8-N11 PolarHBondContact O-N 2.59Å; L9-N11 PolarHBondContact O-N 3.28Å; N11-K15 WeakPolarHBondContact O-CB 3.48Å; N11-K15 PolarHBondContact O-N 3.08Å
12E83.3Confident75.1Confident71 Ų7178.5 Ų78.533%0.33238%0.382SS..Hα-helixtrans-67-42174-175.2170.4-169.800111.5R8 L9 L10 K15 C16 R24 V28R8-E12 PolarHBondContact O-N 3.02Å; L9-E12 PolarHBondContact O-N 3.14Å; L10-E12 VanDerWaalsContact C-N 3.32Å; L10-E12 PolarHBondContact O-N 3.22Å; E12-K15 PolarHBondContact O-N 3.48Å; E12-C16 PolarHBondContact O-N 3.34Å; E12-C16 PolarHBondContact O-SG 2.91Å; E12-R24 IonicContact OE1-CZ 3.58Å; E12-R24 IonicContact OE1-NE 3.83Å; E12-R24 IonicContact OE1-NH2 2.91Å; E12-R24 PolarHBondContact OE1-NH2 3.45Å; E12-V28 HydrophobicContact CG-CG2 4.41Å
13V84.6Confident76.8Confident3 Ų381.6 Ų81.62%0.01838%0.378CS..Hα-helixtrans-61.4-47.4173.8170.80000110.7L9 L10 K15 C16 R17 V25 V28 V29 F47L9-V13 WeakPolarHBondContact O-CG2 3.49Å; L9-V13 PolarHBondContact O-N 3Å; L10-V13 PolarHBondContact O-N 3.16Å; V13-K15 VanDerWaalsContact C-N 3.32Å; V13-K15 PolarHBondContact O-N 2.59Å; V13-C16 PolarHBondContact O-N 3.33Å; V13-C16 VanDerWaalsContact O-N 3.14Å; V13-R17 HydrophobicContact CG1-CG 4.24Å; V13-R17 VanDerWaalsContact O-CG 3.24Å; V13-R17 WeakPolarHBondContact O-CG 3.41Å; V13-R17 PolarHBondContact O-N 2.91Å; V13-V25 HydrophobicContact CG1-CG1 4.22Å; V13-V28 HydrophobicContact CG2-CB 4.13Å; V13-V28 HydrophobicContact CG2-CG1 3.55Å; V13-V29 HydrophobicContact CG1-CG2 4.31Å; V13-V29 HydrophobicContact CG2-CG2 3.82Å; V13-F47 HydrophobicContact CG1-CB 4.49Å; V13-F47 HydrophobicContact CG1-CD1 4Å; V13-F47 HydrophobicContact CG1-CD2 3.83Å; V13-F47 HydrophobicContact CG1-CE1 4.12Å; V13-F47 HydrophobicContact CG1-CE2 3.96Å; V13-F47 HydrophobicContact CG1-CG 3.85Å; V13-F47 HydrophobicContact CG1-CZ 4.1Å
14E82.9Confident78.5Confident55 Ų5578.9 Ų78.926%0.25736%0.364SS..Hα-helixtrans-60.2-43.3179.7-161.160.5-151.500111.8L10 C16 R17 I18L10-E14 PolarHBondContact O-N 3.39Å; E14-C16 PolarHBondContact O-N 2.84Å; E14-R17 WeakPolarHBondContact O-CB 3.3Å; E14-R17 PolarHBondContact O-N 2.69Å; E14-R17 IonicContact OE1-CZ 3.17Å; E14-R17 IonicContact OE1-NH1 2.89Å; E14-R17 PolarHBondContact OE1-NH1 3.21Å; E14-R17 IonicContact OE2-CZ 2.73Å; E14-R17 IonicContact OE2-NH1 3.02Å; E14-R17 PolarHBondContact OE2-NH1 3.42Å; E14-I18 HydrophobicContact CG-CD1 4.29Å; E14-I18 WeakPolarHBondContact O-CG1 3.43Å; E14-I18 PolarHBondContact O-N 3.17Å
15K83.7Confident80Confident135 Ų13574.1 Ų74.159%0.58734%0.339SS*.Hα-helixtrans-60.4-46.2174.5-173.1178.8178-178.40111.7N11 E12 V13 R17 I18 D19N11-K15 WeakPolarHBondContact O-CB 3.48Å; N11-K15 PolarHBondContact O-N 3.08Å; E12-K15 PolarHBondContact O-N 3.48Å; V13-K15 VanDerWaalsContact C-N 3.32Å; V13-K15 PolarHBondContact O-N 2.59Å; K15-R17 VanDerWaalsContact C-N 3.27Å; K15-R17 PolarHBondContact O-N 3.39Å; K15-I18 PolarHBondContact O-N 3.04Å; K15-D19 WeakPolarHBondContact O-CB 3.49Å; K15-D19 VanDerWaalsContact O-CG 3.23Å; K15-D19 PolarHBondContact O-N 3.47Å
16C84.5Confident81.3Confident6 Ų666.2 Ų66.24%0.04131%0.311CS..Hα-helixtrans-63.9-32.3178.1-64.10000112.6E12 V13 E14 G20 N21 R24 V25E12-C16 PolarHBondContact O-N 3.34Å; E12-C16 PolarHBondContact O-SG 2.91Å; V13-C16 PolarHBondContact O-N 3.33Å; V13-C16 VanDerWaalsContact O-N 3.14Å; E14-C16 PolarHBondContact O-N 2.84Å; C16-G20 PolarHBondContact O-N 3.21Å; C16-G20 VanDerWaalsContact O-N 3.13Å; C16-N21 PolarHBondContact O-N 2.97Å; C16-R24 VanDerWaalsContact SG-CD 3.52Å; C16-V25 HydrophobicContact CB-CG2 3.56Å
17R86.6Confident82.2Confident9 Ų970.8 Ų70.83%0.03433%0.332CS..Hα-helixtrans-70.1-41.8175.1-67.9166.873.6-142.52.1111.8V13 E14 K15 D19 G20 W22 V25 E50 E98 R136V13-R17 HydrophobicContact CG1-CG 4.24Å; V13-R17 VanDerWaalsContact O-CG 3.24Å; V13-R17 WeakPolarHBondContact O-CG 3.41Å; V13-R17 PolarHBondContact O-N 2.91Å; E14-R17 WeakPolarHBondContact O-CB 3.3Å; E14-R17 PolarHBondContact O-N 2.69Å; E14-R17 IonicContact OE1-CZ 3.17Å; E14-R17 IonicContact OE1-NH1 2.89Å; E14-R17 PolarHBondContact OE1-NH1 3.21Å; E14-R17 IonicContact OE2-CZ 2.73Å; E14-R17 IonicContact OE2-NH1 3.02Å; E14-R17 PolarHBondContact OE2-NH1 3.42Å; K15-R17 VanDerWaalsContact C-N 3.27Å; K15-R17 PolarHBondContact O-N 3.39Å; R17-D19 VanDerWaalsContact C-N 3.34Å; R17-G20 PolarHBondContact O-N 3.33Å; R17-W22 HydrophobicContact CB-CZ3 4.29Å; R17-W22 HydrophobicContact CG-CZ3 4.21Å; R17-V25 HydrophobicContact CG-CG1 4.46Å; R17-V25 HydrophobicContact CG-CG2 3.84Å; R17-E50 IonicContact CZ-OE2 2.83Å; R17-E50 IonicContact NE-OE2 2.75Å; R17-E50 PolarHBondContact NE-OE2 3.49Å; R17-E50 IonicContact NH2-OE1 2.63Å; R17-E50 IonicContact NH2-OE2 2.7Å; R17-E50 PolarHBondContact NH2-OE2 3.26Å; R17-E98 IonicContact NH2-OE2 3.86Å; R17-R136 VanDerWaalsContact NH2-NH1 3.15Å
18I81Confident82.8Confident67 Ų6766 Ų6634%0.34431%0.31SS..Hα-helixtrans-64.3-42174.8-66.6165.9000110.5E14 K15 G20 R136E14-I18 HydrophobicContact CG-CD1 4.29Å; E14-I18 WeakPolarHBondContact O-CG1 3.43Å; E14-I18 PolarHBondContact O-N 3.17Å; K15-I18 PolarHBondContact O-N 3.04Å; I18-G20 PolarHBondContact O-N 3.32Å; I18-R136 HydrophobicContact CG1-CB 4.42Å
19D78Confident83.2Confident98 Ų9857.2 Ų57.252%0.52428%0.278SS..THydrogen-bonded Turntrans-73.4-6.7177.6-65.1-16.8000112.9K15 R17 N21K15-D19 WeakPolarHBondContact O-CB 3.49Å; K15-D19 VanDerWaalsContact O-CG 3.23Å; K15-D19 PolarHBondContact O-N 3.47Å; R17-D19 VanDerWaalsContact C-N 3.34Å; D19-N21 VanDerWaalsContact C-N 3.26Å; D19-N21 PolarHBondContact O-N 2.92Å
20G79.8Confident83.4Confident23 Ų2359.9 Ų59.924%0.23730%0.296CS..THydrogen-bonded Turntrans68.117.2-177.500000114.9C16 R17 I18 W22C16-G20 PolarHBondContact O-N 3.21Å; C16-G20 VanDerWaalsContact O-N 3.13Å; R17-G20 PolarHBondContact O-N 3.33Å; I18-G20 PolarHBondContact O-N 3.32Å; G20-W22 VanDerWaalsContact C-N 3.33Å; G20-W22 PolarHBondContact O-N 3.1Å; G20-W22 PolarHBondContact O-NE1 3.01Å
21N85Confident83.1Confident76 Ų7662.2 Ų62.241%0.40632%0.316SS..  trans-86.372.3-179.1-167.1-19.3000111.5C16 D19 R23 R24 V25C16-N21 PolarHBondContact O-N 2.97Å; D19-N21 VanDerWaalsContact C-N 3.26Å; D19-N21 PolarHBondContact O-N 2.92Å; N21-R23 VanDerWaalsContact C-N 3.31Å; N21-R23 PolarHBondContact O-N 2.81Å; N21-R24 HydrophobicContact CB-CB 4.23Å; N21-R24 PolarHBondContact O-N 3.29Å; N21-R24 VanDerWaalsContact O-N 3.14Å; N21-R24 WeakPolarHBondContact OD1-CB 3.41Å; N21-R24 PolarHBondContact OD1-N 3.33Å; N21-V25 PolarHBondContact O-N 3.41Å
22W88.5Confident82.3Confident13 Ų1357.4 Ų57.45%0.04929%0.291CS..Hα-helixtrans-63.7-31.9-172.4-51.4112.1000114.1R17 G20 V25 L26 E50 A51 E54 L55 E58R17-W22 HydrophobicContact CB-CZ3 4.29Å; R17-W22 HydrophobicContact CG-CZ3 4.21Å; G20-W22 VanDerWaalsContact C-N 3.33Å; G20-W22 PolarHBondContact O-N 3.1Å; G20-W22 PolarHBondContact O-NE1 3.01Å; W22-V25 HydrophobicContact CE3-CG2 4.47Å; W22-V25 WeakPolarHBondContact O-CB 3.36Å; W22-V25 PolarHBondContact O-N 2.78Å; W22-L26 PolarHBondContact O-N 2.82Å; W22-E50 HydrophobicContact CH2-CG 4.16Å; W22-E50 HydrophobicContact CZ3-CG 3.75Å; W22-A51 HydrophobicContact CB-CB 4.33Å; W22-A51 HydrophobicContact CE3-CB 4.33Å; W22-E54 HydrophobicContact CD2-CB 3.57Å; W22-E54 HydrophobicContact CD2-CG 4.06Å; W22-E54 HydrophobicContact CE3-CB 4.25Å; W22-E54 HydrophobicContact CE3-CG 4.34Å; W22-E54 HydrophobicContact CG-CB 3.82Å; W22-E54 HydrophobicContact CH2-CB 4.43Å; W22-E54 HydrophobicContact CH2-CG 3.86Å; W22-E54 HydrophobicContact CZ2-CB 3.81Å; W22-E54 HydrophobicContact CZ2-CG 3.54Å; W22-E54 HydrophobicContact CZ3-CG 4.25Å; W22-L55 HydrophobicContact CB-CD1 4.24Å; W22-L55 HydrophobicContact CB-CD2 3.82Å; W22-L55 HydrophobicContact CB-CG 3.64Å; W22-L55 HydrophobicContact CG-CG 4.48Å; W22-E58 PolarHBondContact NE1-OE1 3.44Å
23R87.3Confident81Confident167 Ų16760 Ų6063%0.6332%0.317SS*.Hα-helixtrans-62.3-45.7174.3-64.3-173.5179.5163.6-0.2110.9N21 V25 L26 D27 L55N21-R23 VanDerWaalsContact C-N 3.31Å; N21-R23 PolarHBondContact O-N 2.81Å; R23-V25 VanDerWaalsContact C-N 3.32Å; R23-V25 PolarHBondContact O-N 3.19Å; R23-L26 WeakPolarHBondContact O-CB 3.45Å; R23-L26 PolarHBondContact O-N 3.5Å; R23-D27 PolarHBondContact O-N 2.95Å; R23-L55 HydrophobicContact CG-CD2 3.77Å
24R85.4Confident79.5Confident119 Ų11960.9 Ų60.945%0.44932%0.322SS..Hα-helixtrans-65.5-34.7176.2-172.2171.7176.9157.71.1112.3E12 C16 N21 L26 D27 V28E12-R24 IonicContact OE1-CZ 3.58Å; E12-R24 IonicContact OE1-NE 3.83Å; E12-R24 IonicContact OE1-NH2 2.91Å; E12-R24 PolarHBondContact OE1-NH2 3.45Å; C16-R24 VanDerWaalsContact SG-CD 3.52Å; N21-R24 HydrophobicContact CB-CB 4.23Å; N21-R24 PolarHBondContact O-N 3.29Å; N21-R24 VanDerWaalsContact O-N 3.14Å; N21-R24 WeakPolarHBondContact OD1-CB 3.41Å; N21-R24 PolarHBondContact OD1-N 3.33Å; R24-L26 VanDerWaalsContact C-N 3.35Å; R24-D27 PolarHBondContact O-N 2.86Å; R24-V28 HydrophobicContact CG-CG2 4.13Å; R24-V28 WeakPolarHBondContact O-CB 3.23Å; R24-V28 VanDerWaalsContact O-CG2 3.23Å; R24-V28 WeakPolarHBondContact O-CG2 3.45Å; R24-V28 PolarHBondContact O-N 3.36Å
25V85.4Confident78Confident1 Ų160.2 Ų60.21%0.00633%0.33CS..Hα-helixtrans-58.4-47.9171.9174.40000110.5V13 C16 R17 N21 W22 R23 D27 V28 V29 F47 A51V13-V25 HydrophobicContact CG1-CG1 4.22Å; C16-V25 HydrophobicContact CB-CG2 3.56Å; R17-V25 HydrophobicContact CG-CG1 4.46Å; R17-V25 HydrophobicContact CG-CG2 3.84Å; N21-V25 PolarHBondContact O-N 3.41Å; W22-V25 HydrophobicContact CE3-CG2 4.47Å; W22-V25 WeakPolarHBondContact O-CB 3.36Å; W22-V25 PolarHBondContact O-N 2.78Å; R23-V25 VanDerWaalsContact C-N 3.32Å; R23-V25 PolarHBondContact O-N 3.19Å; V25-D27 VanDerWaalsContact C-N 3.32Å; V25-D27 PolarHBondContact O-N 2.89Å; V25-V28 PolarHBondContact O-N 3.18Å; V25-V29 HydrophobicContact CG1-CG2 4.23Å; V25-V29 WeakPolarHBondContact O-CB 3.42Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 2.83Å; V25-F47 HydrophobicContact CG1-CB 4.36Å; V25-A51 HydrophobicContact CB-CB 4.33Å; V25-A51 HydrophobicContact CG1-CB 4.05Å
26L86Confident76.4Confident25 Ų2562.9 Ų62.913%0.13134%0.342CS..Hα-helixtrans-60.7-41.6177.2-68.1178.7000112.1W22 R23 R24 T30 F48 A51 Y52 L55W22-L26 PolarHBondContact O-N 2.82Å; R23-L26 WeakPolarHBondContact O-CB 3.45Å; R23-L26 PolarHBondContact O-N 3.5Å; R24-L26 VanDerWaalsContact C-N 3.35Å; L26-T30 WeakPolarHBondContact O-CB 3.45Å; L26-T30 PolarHBondContact O-N 3Å; L26-T30 PolarHBondContact O-OG1 3.38Å; L26-F48 HydrophobicContact CD2-CD1 3.58Å; L26-F48 HydrophobicContact CD2-CE1 4.01Å; L26-A51 HydrophobicContact CD2-CB 3.72Å; L26-A51 HydrophobicContact CG-CB 3.89Å; L26-Y52 HydrophobicContact CD1-CD1 4.17Å; L26-Y52 HydrophobicContact CD1-CE1 3.87Å; L26-Y52 HydrophobicContact CD2-CD1 4.38Å; L26-Y52 HydrophobicContact CD2-CE1 4.04Å; L26-Y52 HydrophobicContact CD2-CE2 4.24Å; L26-L55 HydrophobicContact CD1-CD1 3.48Å; L26-L55 VanDerWaalsContact CD1-CD1 3.48Å; L26-L55 HydrophobicContact CG-CD1 4.44Å
27D85.6Confident75.1Confident110 Ų11066.3 Ų66.359%0.58838%0.378SS*.Hα-helixtrans-65.9-45.7179.8-68-24.7000112.2R23 R24 V25 S31R23-D27 PolarHBondContact O-N 2.95Å; R24-D27 PolarHBondContact O-N 2.86Å; V25-D27 VanDerWaalsContact C-N 3.32Å; V25-D27 PolarHBondContact O-N 2.89Å; D27-S31 WeakPolarHBondContact O-CB 3.4Å; D27-S31 PolarHBondContact O-N 3.38Å; D27-S31 PolarHBondContact O-OG 3.04Å
28V82Confident73.8Confident12 Ų1268.2 Ų68.27%0.07339%0.393CS..Hα-helixtrans-66.9-43.8-179.6176.20000110.7L9 E12 V13 R24 V25 S31 S32L9-V28 HydrophobicContact CD2-CG1 4.21Å; E12-V28 HydrophobicContact CG-CG2 4.41Å; V13-V28 HydrophobicContact CG2-CB 4.13Å; V13-V28 HydrophobicContact CG2-CG1 3.55Å; R24-V28 HydrophobicContact CG-CG2 4.13Å; R24-V28 WeakPolarHBondContact O-CB 3.23Å; R24-V28 VanDerWaalsContact O-CG2 3.23Å; R24-V28 WeakPolarHBondContact O-CG2 3.45Å; R24-V28 PolarHBondContact O-N 3.36Å; V25-V28 PolarHBondContact O-N 3.18Å; V28-S31 PolarHBondContact O-OG 2.93Å; V28-S32 VanDerWaalsContact O-CB 3.3Å; V28-S32 WeakPolarHBondContact O-CB 3.4Å; V28-S32 PolarHBondContact O-N 3.01Å; V28-S32 VanDerWaalsContact O-N 3.12Å; V28-S32 PolarHBondContact O-OG 2.95Å
29V81.3Confident73Confident8 Ų868.5 Ų68.55%0.04841%0.412CS..Hα-helixtrans-69-38.3179.4-179.20000111V13 V25 S32 C44 F47 F48V13-V29 HydrophobicContact CG1-CG2 4.31Å; V13-V29 HydrophobicContact CG2-CG2 3.82Å; V25-V29 HydrophobicContact CG1-CG2 4.23Å; V25-V29 WeakPolarHBondContact O-CB 3.42Å; V25-V29 WeakPolarHBondContact O-CG2 3.38Å; V25-V29 PolarHBondContact O-N 2.83Å; V29-S32 PolarHBondContact O-OG 3.42Å; V29-C44 HydrophobicContact CG1-CB 4.32Å; V29-F47 HydrophobicContact CG2-CB 4.02Å; V29-F47 HydrophobicContact CG2-CD2 4.17Å; V29-F47 HydrophobicContact CG2-CG 4.49Å; V29-F48 HydrophobicContact CB-CE1 4.37Å; V29-F48 HydrophobicContact CB-CE2 4.48Å; V29-F48 HydrophobicContact CB-CZ 4.11Å; V29-F48 HydrophobicContact CG1-CD2 3.97Å; V29-F48 HydrophobicContact CG1-CE1 4.11Å; V29-F48 HydrophobicContact CG1-CE2 3.42Å; V29-F48 VanDerWaalsContact CG1-CE2 3.42Å; V29-F48 HydrophobicContact CG1-CZ 3.49Å; V29-F48 VanDerWaalsContact CG1-CZ 3.49Å
30T80.6Confident72.6Confident96 Ų9666.3 Ų66.359%0.58940%0.4SS*.Hα-helixtrans-72.7-40.3179.1-54.50000112.8L26 S32L26-T30 WeakPolarHBondContact O-CB 3.45Å; L26-T30 PolarHBondContact O-N 3Å; L26-T30 PolarHBondContact O-OG1 3.38Å; T30-S32 VanDerWaalsContact C-N 3.29Å; T30-S32 PolarHBondContact O-N 2.92Å
31S73.2Confident72.4Confident97 Ų9769.2 Ų69.268%0.67841%0.408SS*.Hα-helixtrans-71.2-25.817960.50000112.9D27 V28D27-S31 WeakPolarHBondContact O-CB 3.4Å; D27-S31 PolarHBondContact O-N 3.38Å; D27-S31 PolarHBondContact O-OG 3.04Å; V28-S31 PolarHBondContact O-OG 2.93Å
32S63.2Low72Confident14 Ų1466.7 Ų66.710%0.09840%0.396CS..SBendtrans-74.8125171.471.60000110.4V28 V29 T30 L34V28-S32 VanDerWaalsContact O-CB 3.3Å; V28-S32 WeakPolarHBondContact O-CB 3.4Å; V28-S32 PolarHBondContact O-N 3.01Å; V28-S32 VanDerWaalsContact O-N 3.12Å; V28-S32 PolarHBondContact O-OG 2.95Å; V29-S32 PolarHBondContact O-OG 3.42Å; T30-S32 VanDerWaalsContact C-N 3.29Å; T30-S32 PolarHBondContact O-N 2.92Å; S32-L34 PolarHBondContact O-N 3.23Å; S32-L34 WeakPolarHBondContact OG-CB 3.46Å; S32-L34 VanDerWaalsContact OG-CD1 3.27Å; S32-L34 WeakPolarHBondContact OG-CD1 3.44Å
33S56.4Low71.7Confident125 Ų12567.6 Ų67.687%0.87440%0.404SS*.  trans-70.439.4167.7-173.60000111.8G35S33-G35 PolarHBondContact O-N 3.43Å
34L54.2Low71.5Confident22 Ų2260.2 Ų60.212%0.11538%0.378CS..  trans-72.95.5174.6-86.8164.7000112.5L9 S32 S38 L40L9-L34 HydrophobicContact CB-CD1 4.48Å; S32-L34 PolarHBondContact O-N 3.23Å; S32-L34 WeakPolarHBondContact OG-CB 3.46Å; S32-L34 VanDerWaalsContact OG-CD1 3.27Å; S32-L34 WeakPolarHBondContact OG-CD1 3.44Å; L34-S38 WeakPolarHBondContact O-CB 3.36Å; L34-S38 PolarHBondContact O-OG 3.06Å; L34-L40 HydrophobicContact CD2-CB 3.98Å; L34-L40 HydrophobicContact CD2-CD2 3.69Å; L34-L40 HydrophobicContact CD2-CG 4.38Å
35G50.4Low71.5Confident42 Ų4256 Ų5643%0.43336%0.364SS..SBendtrans-65.9-167.4178.200000116.1S33 G37 S38S33-G35 PolarHBondContact O-N 3.43Å; G35-G37 PolarHBondContact O-N 3.26Å; G35-S38 WeakPolarHBondContact O-CB 3.41Å; G35-S38 PolarHBondContact O-N 3.45Å; G35-S38 VanDerWaalsContact O-N 3.15Å; G35-S38 PolarHBondContact O-OG 3.14Å
36K51.1Low71.7Confident190 Ų19056.1 Ų56.183%0.82637%0.365SS*.THydrogen-bonded Turntrans-40.2117.3-172.9-70.7-176.3175.2-175.70112.6
37G55.3Low71.9Confident78 Ų7855.7 Ų55.780%0.80436%0.362SS*.THydrogen-bonded Turntrans105.9-7.6178.700000116G35 G39G35-G37 PolarHBondContact O-N 3.26Å; G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 2.91Å
38S60.7Low72.1Confident49 Ų4952 Ų5234%0.34334%0.341SS..SBendtrans-76.5-14.8178.170.10000114.7L34 G35 L40L34-S38 WeakPolarHBondContact O-CB 3.36Å; L34-S38 PolarHBondContact O-OG 3.06Å; G35-S38 WeakPolarHBondContact O-CB 3.41Å; G35-S38 PolarHBondContact O-N 3.45Å; G35-S38 VanDerWaalsContact O-N 3.15Å; G35-S38 PolarHBondContact O-OG 3.14Å; S38-L40 WeakPolarHBondContact O-CD1 3.48Å; S38-L40 PolarHBondContact O-N 3.49Å; S38-L40 PolarHBondContact OG-N 3.27Å; S38-L40 VanDerWaalsContact OG-N 3.08Å
39G63.9Low72.5Confident73 Ų7351.4 Ų51.475%0.75334%0.337SS*.SBendtrans74.8-2.9-168.400000114.4G37G37-G39 VanDerWaalsContact C-N 3.33Å; G37-G39 PolarHBondContact O-N 2.91Å
40L69.4Low73.1Confident52 Ų5251.2 Ų51.227%0.27234%0.336SS..  trans-107.119.4179.2-8176.5000112.6L10 L34 S38 S42 S43 C44L10-L40 HydrophobicContact CD1-CD2 3.74Å; L10-L40 HydrophobicContact CD2-CD2 4.18Å; L10-L40 HydrophobicContact CG-CD2 4.19Å; L34-L40 HydrophobicContact CD2-CB 3.98Å; L34-L40 HydrophobicContact CD2-CD2 3.69Å; L34-L40 HydrophobicContact CD2-CG 4.38Å; S38-L40 WeakPolarHBondContact O-CD1 3.48Å; S38-L40 PolarHBondContact O-N 3.49Å; S38-L40 PolarHBondContact OG-N 3.27Å; S38-L40 VanDerWaalsContact OG-N 3.08Å; L40-S42 VanDerWaalsContact C-N 3.31Å; L40-S42 PolarHBondContact O-N 3.28Å; L40-S43 PolarHBondContact O-N 3Å; L40-C44 PolarHBondContact O-N 2.87Å; L40-C44 PolarHBondContact O-SG 3.36Å
41E74.8Confident73.6Confident85 Ų8546.7 Ų46.740%0.39731%0.308SS..Hα-helixtrans-62.4-37.1-175.9-172167-174.500112.5C44 N45E41-C44 PolarHBondContact O-N 3.37Å; E41-N45 WeakPolarHBondContact O-CB 3.49Å; E41-N45 PolarHBondContact O-N 3.31Å; E41-N45 PolarHBondContact O-ND2 3.47Å
42S78.5Confident74.5Confident22 Ų2245.6 Ų45.615%0.15429%0.29CS..Hα-helixtrans-64.2-44175.858.50000112.3L40 N45 F46 S88L40-S42 VanDerWaalsContact C-N 3.31Å; L40-S42 PolarHBondContact O-N 3.28Å; S42-N45 PolarHBondContact O-N 3Å; S42-F46 WeakPolarHBondContact O-CB 3.47Å; S42-F46 PolarHBondContact O-N 3.5Å; S42-S88 VanDerWaalsContact CB-OG 3.25Å; S42-S88 WeakPolarHBondContact CB-OG 3.43Å
43S80.7Confident75.8Confident33 Ų3345 Ų4523%0.23129%0.285CS..Hα-helixtrans-65.2-39.5175.5-59.10000112.3L40 F46 F47L40-S43 PolarHBondContact O-N 3Å; S43-F46 WeakPolarHBondContact O-CB 3.22Å; S43-F46 PolarHBondContact O-N 3.1Å; S43-F47 WeakPolarHBondContact O-CD2 3.1Å; S43-F47 WeakPolarHBondContact O-CG 3.38Å; S43-F47 PolarHBondContact O-N 3.26Å
44C82.9Confident77.4Confident12 Ų1239.5 Ų39.58%0.08125%0.246CC..Hα-helixtrans-64.6-45.6176.4-63.70000111.8V29 L40 E41 F46 F47 F48V29-C44 HydrophobicContact CG1-CB 4.32Å; L40-C44 PolarHBondContact O-N 2.87Å; L40-C44 PolarHBondContact O-SG 3.36Å; E41-C44 PolarHBondContact O-N 3.37Å; C44-F46 VanDerWaalsContact C-N 3.27Å; C44-F46 PolarHBondContact O-N 3Å; C44-F47 PolarHBondContact O-N 3.39Å; C44-F48 WeakPolarHBondContact O-CD2 3.44Å; C44-F48 PolarHBondContact O-N 3.47Å
45N87Confident79Confident29 Ų2939.4 Ų39.416%0.15525%0.245CC..Hα-helixtrans-59.1-40.9174.5-81.7-33.6000111.5E41 S42 G49 H81 A84 V85E41-N45 WeakPolarHBondContact O-CB 3.49Å; E41-N45 PolarHBondContact O-N 3.31Å; E41-N45 PolarHBondContact O-ND2 3.47Å; S42-N45 PolarHBondContact O-N 3Å; N45-G49 PolarHBondContact O-N 2.92Å; N45-H81 WeakPolarHBondContact O-CB 3.42Å; N45-H81 PolarHBondContact OD1-ND1 3.46Å; N45-A84 HydrophobicContact CB-CB 4.44Å; N45-V85 HydrophobicContact CB-CG2 4.14Å
46F89.3Confident80.8Confident4 Ų438 Ų382%0.01823%0.227CC..Hα-helixtrans-60.6-49.4175.5177.1-112.4000112.5S42 S43 C44 G49 E50 L82 V85 V95 E98 A99 L102S42-F46 WeakPolarHBondContact O-CB 3.47Å; S42-F46 PolarHBondContact O-N 3.5Å; S43-F46 WeakPolarHBondContact O-CB 3.22Å; S43-F46 PolarHBondContact O-N 3.1Å; C44-F46 VanDerWaalsContact C-N 3.27Å; C44-F46 PolarHBondContact O-N 3Å; F46-G49 PolarHBondContact O-N 3.33Å; F46-E50 PolarHBondContact O-N 3.2Å; F46-L82 HydrophobicContact CD2-CD2 4.45Å; F46-V85 HydrophobicContact CB-CG2 3.81Å; F46-V95 HydrophobicContact CB-CG1 4.26Å; F46-V95 HydrophobicContact CD1-CG1 4.18Å; F46-V95 HydrophobicContact CD2-CG1 4.01Å; F46-V95 HydrophobicContact CE2-CG1 4.4Å; F46-V95 HydrophobicContact CG-CG1 3.9Å; F46-E98 HydrophobicContact CE2-CB 3.91Å; F46-E98 HydrophobicContact CZ-CB 3.67Å; F46-E98 VanDerWaalsContact CZ-OE2 3.29Å; F46-E98 WeakPolarHBondContact CZ-OE2 3.39Å; F46-A99 HydrophobicContact CD2-CB 4Å; F46-A99 HydrophobicContact CE2-CB 4.06Å; F46-L102 HydrophobicContact CE2-CD1 3.77Å; F46-L102 HydrophobicContact CZ-CD1 4.19Å
47F89.7Confident82.4Confident17 Ų1729.6 Ų29.68%0.07519%0.191CC..Hα-helixtrans-64.6-41179-57.7-40000113.3L10 V13 V25 V29 S43 C44 A51L10-F47 HydrophobicContact CD2-CE2 3.72Å; L10-F47 HydrophobicContact CD2-CZ 4.11Å; V13-F47 HydrophobicContact CG1-CB 4.49Å; V13-F47 HydrophobicContact CG1-CD1 4Å; V13-F47 HydrophobicContact CG1-CD2 3.83Å; V13-F47 HydrophobicContact CG1-CE1 4.12Å; V13-F47 HydrophobicContact CG1-CE2 3.96Å; V13-F47 HydrophobicContact CG1-CG 3.85Å; V13-F47 HydrophobicContact CG1-CZ 4.1Å; V25-F47 HydrophobicContact CG1-CB 4.36Å; V29-F47 HydrophobicContact CG2-CB 4.02Å; V29-F47 HydrophobicContact CG2-CD2 4.17Å; V29-F47 HydrophobicContact CG2-CG 4.49Å; S43-F47 WeakPolarHBondContact O-CD2 3.1Å; S43-F47 WeakPolarHBondContact O-CG 3.38Å; S43-F47 PolarHBondContact O-N 3.26Å; C44-F47 PolarHBondContact O-N 3.39Å; F47-A51 WeakPolarHBondContact O-CB 3.28Å; F47-A51 PolarHBondContact O-N 3.44Å
48F89.9Confident83.7Confident32 Ų3230.4 Ų30.414%0.1417%0.174CC..Hα-helixtrans-61.7-45.2173.6-81-58.5000111.4L26 V29 C44 E50 A51 Y52 H81L26-F48 HydrophobicContact CD2-CD1 3.58Å; L26-F48 HydrophobicContact CD2-CE1 4.01Å; V29-F48 HydrophobicContact CB-CE1 4.37Å; V29-F48 HydrophobicContact CB-CE2 4.48Å; V29-F48 HydrophobicContact CB-CZ 4.11Å; V29-F48 HydrophobicContact CG1-CD2 3.97Å; V29-F48 HydrophobicContact CG1-CE1 4.11Å; V29-F48 HydrophobicContact CG1-CE2 3.42Å; V29-F48 VanDerWaalsContact CG1-CE2 3.42Å; V29-F48 HydrophobicContact CG1-CZ 3.49Å; V29-F48 VanDerWaalsContact CG1-CZ 3.49Å; C44-F48 WeakPolarHBondContact O-CD2 3.44Å; C44-F48 PolarHBondContact O-N 3.47Å; F48-E50 PolarHBondContact O-N 3.32Å; F48-A51 PolarHBondContact O-N 2.87Å; F48-Y52 HydrophobicContact CB-CD2 4.32Å; F48-Y52 HydrophobicContact CB-CE2 4.14Å; F48-Y52 AromaticContact CD1-CE2 3.95Å; F48-Y52 HydrophobicContact CD1-CE2 3.95Å; F48-Y52 HydrophobicContact CG-CE2 4.42Å; F48-Y52 WeakPolarHBondContact O-CB 3.47Å; F48-Y52 WeakPolarHBondContact O-CD2 3.44Å; F48-Y52 PolarHBondContact O-N 3.07Å; F48-H81 HydrophobicContact CB-CB 4.22Å
49G90.6Very high84.7Confident0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-58.4-46.5179.400000112.8N45 F46 L53N45-G49 PolarHBondContact O-N 2.92Å; F46-G49 PolarHBondContact O-N 3.33Å; G49-L53 WeakPolarHBondContact O-CB 3.13Å; G49-L53 PolarHBondContact O-N 3.31Å
50E93.3Very high85.3Confident4 Ų434.4 Ų34.42%0.01917%0.168CC..Hα-helixtrans-65.5-52176.5-173.6175.9-152.100112.3R17 W22 F46 F48 Y52 L53 E54 L102 R136R17-E50 IonicContact CZ-OE2 2.83Å; R17-E50 IonicContact NE-OE2 2.75Å; R17-E50 PolarHBondContact NE-OE2 3.49Å; R17-E50 IonicContact NH2-OE1 2.63Å; R17-E50 IonicContact NH2-OE2 2.7Å; R17-E50 PolarHBondContact NH2-OE2 3.26Å; W22-E50 HydrophobicContact CH2-CG 4.16Å; W22-E50 HydrophobicContact CZ3-CG 3.75Å; F46-E50 PolarHBondContact O-N 3.2Å; F48-E50 PolarHBondContact O-N 3.32Å; E50-Y52 VanDerWaalsContact C-N 3.34Å; E50-Y52 PolarHBondContact O-N 3.17Å; E50-L53 WeakPolarHBondContact O-CB 3.25Å; E50-L53 PolarHBondContact O-N 3.27Å; E50-E54 HydrophobicContact CG-CG 4.24Å; E50-E54 WeakPolarHBondContact O-CG 3.03Å; E50-E54 PolarHBondContact O-N 3Å; E50-L102 HydrophobicContact CB-CD1 3.7Å; E50-L102 HydrophobicContact CG-CD1 3.76Å; E50-L102 HydrophobicContact CG-CD2 4.11Å; E50-R136 IonicContact OE1-CZ 3.86Å; E50-R136 IonicContact OE1-NE 3.34Å; E50-R136 PolarHBondContact OE1-NE 3.19Å; E50-R136 IonicContact OE1-NH2 3.88Å; E50-R136 PolarHBondContact OE1-NH2 3.2Å; E50-R136 IonicContact OE2-CZ 3.07Å; E50-R136 IonicContact OE2-NE 3.6Å; E50-R136 IonicContact OE2-NH2 3.28Å
51A90.9Very high85.3Confident0 Ų037.3 Ų37.30%018%0.178CC..Hα-helixtrans-62-40.3-175.600000112.5W22 V25 L26 F47 F48 L53 L55W22-A51 HydrophobicContact CB-CB 4.33Å; W22-A51 HydrophobicContact CE3-CB 4.33Å; V25-A51 HydrophobicContact CB-CB 4.33Å; V25-A51 HydrophobicContact CG1-CB 4.05Å; L26-A51 HydrophobicContact CD2-CB 3.72Å; L26-A51 HydrophobicContact CG-CB 3.89Å; F47-A51 WeakPolarHBondContact O-CB 3.28Å; F47-A51 PolarHBondContact O-N 3.44Å; F48-A51 PolarHBondContact O-N 2.87Å; A51-L53 VanDerWaalsContact C-N 3.33Å; A51-L53 PolarHBondContact O-N 2.59Å; A51-L55 WeakPolarHBondContact O-CB 3.45Å; A51-L55 WeakPolarHBondContact O-CD1 3.44Å; A51-L55 VanDerWaalsContact O-CG 3.23Å; A51-L55 WeakPolarHBondContact O-CG 3.43Å; A51-L55 PolarHBondContact O-N 3.45Å; A51-L55 VanDerWaalsContact O-N 3.08Å
52Y91.9Very high84.8Confident75 Ų7540.2 Ų40.229%0.29420%0.197SC..Hα-helixtrans-66.4-33.9174.6-73.2-52.7000112.9L26 F48 E50 Y56 K77 H81L26-Y52 HydrophobicContact CD1-CD1 4.17Å; L26-Y52 HydrophobicContact CD1-CE1 3.87Å; L26-Y52 HydrophobicContact CD2-CD1 4.38Å; L26-Y52 HydrophobicContact CD2-CE1 4.04Å; L26-Y52 HydrophobicContact CD2-CE2 4.24Å; F48-Y52 HydrophobicContact CB-CD2 4.32Å; F48-Y52 HydrophobicContact CB-CE2 4.14Å; F48-Y52 AromaticContact CD1-CE2 3.95Å; F48-Y52 HydrophobicContact CD1-CE2 3.95Å; F48-Y52 HydrophobicContact CG-CE2 4.42Å; F48-Y52 WeakPolarHBondContact O-CB 3.47Å; F48-Y52 WeakPolarHBondContact O-CD2 3.44Å; F48-Y52 PolarHBondContact O-N 3.07Å; E50-Y52 VanDerWaalsContact C-N 3.34Å; E50-Y52 PolarHBondContact O-N 3.17Å; Y52-Y56 WeakPolarHBondContact O-CB 3.38Å; Y52-Y56 PolarHBondContact O-N 3.03Å; Y52-K77 HydrophobicContact CD2-CB 4.4Å; Y52-H81 AromaticContact CE2-CD2 3.92Å
53L90.9Very high84.1Confident0 Ų040.3 Ų40.30%020%0.195CC..Hα-helixtrans-70.1-47.7177.2176.362.7000111.2G49 E50 A51 Y56 V57 L75 A78 L102 K105 L106G49-L53 WeakPolarHBondContact O-CB 3.13Å; G49-L53 PolarHBondContact O-N 3.31Å; E50-L53 WeakPolarHBondContact O-CB 3.25Å; E50-L53 PolarHBondContact O-N 3.27Å; A51-L53 VanDerWaalsContact C-N 3.33Å; A51-L53 PolarHBondContact O-N 2.59Å; L53-Y56 WeakPolarHBondContact O-CB 3.27Å; L53-Y56 PolarHBondContact O-N 3.5Å; L53-V57 WeakPolarHBondContact O-CG2 3.5Å; L53-V57 PolarHBondContact O-N 3.44Å; L53-V57 VanDerWaalsContact O-N 3.1Å; L53-L75 HydrophobicContact CD1-CD2 3.74Å; L53-A78 HydrophobicContact CB-CB 4.26Å; L53-L102 HydrophobicContact CD2-CB 4.16Å; L53-L102 HydrophobicContact CD2-CD2 4.17Å; L53-L102 VanDerWaalsContact CD2-O 3.27Å; L53-L102 WeakPolarHBondContact CD2-O 3.49Å; L53-K105 HydrophobicContact CD2-CB 4.22Å; L53-K105 HydrophobicContact CD2-CD 4.25Å; L53-K105 HydrophobicContact CD2-CG 4.14Å; L53-L106 HydrophobicContact CD1-CB 3.97Å; L53-L106 HydrophobicContact CD1-CG 4.32Å; L53-L106 HydrophobicContact CD2-CB 4.31Å
54E90.4Very high83.1Confident10 Ų1040.9 Ų40.95%0.04720%0.195CC..Hα-helixtrans-70.6-37.6-176.2-63-64.2160.100112.4W22 E50 Y56 V57 E58 K105W22-E54 HydrophobicContact CD2-CB 3.57Å; W22-E54 HydrophobicContact CD2-CG 4.06Å; W22-E54 HydrophobicContact CE3-CB 4.25Å; W22-E54 HydrophobicContact CE3-CG 4.34Å; W22-E54 HydrophobicContact CG-CB 3.82Å; W22-E54 HydrophobicContact CH2-CB 4.43Å; W22-E54 HydrophobicContact CH2-CG 3.86Å; W22-E54 HydrophobicContact CZ2-CB 3.81Å; W22-E54 HydrophobicContact CZ2-CG 3.54Å; W22-E54 HydrophobicContact CZ3-CG 4.25Å; E50-E54 HydrophobicContact CG-CG 4.24Å; E50-E54 WeakPolarHBondContact O-CG 3.03Å; E50-E54 PolarHBondContact O-N 3Å; E54-Y56 VanDerWaalsContact C-N 3.27Å; E54-Y56 PolarHBondContact O-N 3.18Å; E54-V57 PolarHBondContact O-N 2.97Å; E54-V57 VanDerWaalsContact O-N 3.13Å; E54-E58 WeakPolarHBondContact O-CG 3.35Å; E54-E58 PolarHBondContact O-N 3.43Å; E54-K105 IonicContact OE1-NZ 2.89Å; E54-K105 PolarHBondContact OE1-NZ 3.21Å; E54-K105 IonicContact OE2-NZ 3.58Å; E54-K105 PolarHBondContact OE2-NZ 3.34Å
55L88.4Confident81.6Confident21 Ų2147 Ų4711%0.1123%0.232CC..Hα-helixtrans-57.9-41.4171-75.7170.4000112W22 R23 L26 A51 V57 E58 E59W22-L55 HydrophobicContact CB-CD1 4.24Å; W22-L55 HydrophobicContact CB-CD2 3.82Å; W22-L55 HydrophobicContact CB-CG 3.64Å; W22-L55 HydrophobicContact CG-CG 4.48Å; R23-L55 HydrophobicContact CG-CD2 3.77Å; L26-L55 HydrophobicContact CD1-CD1 3.48Å; L26-L55 VanDerWaalsContact CD1-CD1 3.48Å; L26-L55 HydrophobicContact CG-CD1 4.44Å; A51-L55 WeakPolarHBondContact O-CB 3.45Å; A51-L55 WeakPolarHBondContact O-CD1 3.44Å; A51-L55 VanDerWaalsContact O-CG 3.23Å; A51-L55 WeakPolarHBondContact O-CG 3.43Å; A51-L55 PolarHBondContact O-N 3.45Å; A51-L55 VanDerWaalsContact O-N 3.08Å; L55-V57 VanDerWaalsContact C-N 3.34Å; L55-V57 PolarHBondContact O-N 2.76Å; L55-E58 PolarHBondContact O-N 3.16Å; L55-E59 WeakPolarHBondContact O-CG 3.25Å; L55-E59 PolarHBondContact O-N 2.91Å
56Y86.9Confident80Confident12 Ų1247.7 Ų47.75%0.04725%0.246CC..Hα-helixtrans-62.7-41.3176.5178.7-90.7000111.8Y52 L53 E54 E59 H60 I63 H71 P74 L75Y52-Y56 WeakPolarHBondContact O-CB 3.38Å; Y52-Y56 PolarHBondContact O-N 3.03Å; L53-Y56 WeakPolarHBondContact O-CB 3.27Å; L53-Y56 PolarHBondContact O-N 3.5Å; E54-Y56 VanDerWaalsContact C-N 3.27Å; E54-Y56 PolarHBondContact O-N 3.18Å; Y56-E59 PolarHBondContact O-N 3.31Å; Y56-H60 AromaticContact CD2-CD2 3.54Å; Y56-H60 AromaticContact CD2-NE2 3.93Å; Y56-H60 AromaticContact CE2-CD2 3.2Å; Y56-H60 WeakPolarHBondContact CE2-CD2 3.41Å; Y56-H60 AromaticContact CE2-NE2 3.38Å; Y56-H60 WeakPolarHBondContact CE2-NE2 3.29Å; Y56-H60 AromaticContact CZ-CD2 3.47Å; Y56-H60 VanDerWaalsContact CZ-CD2 3.47Å; Y56-H60 AromaticContact CZ-NE2 3.94Å; Y56-H60 WeakPolarHBondContact O-CB 3.38Å; Y56-H60 PolarHBondContact O-CD2 3.49Å; Y56-H60 PolarHBondContact O-N 2.92Å; Y56-H60 VanDerWaalsContact O-N 3.14Å; Y56-I63 HydrophobicContact CE1-CD1 3.91Å; Y56-I63 WeakPolarHBondContact OH-CD1 3.31Å; Y56-H71 WeakPolarHBondContact OH-CB 3.35Å; Y56-H71 PolarHBondContact OH-CD2 3.13Å; Y56-H71 PolarHBondContact OH-ND1 2.84Å; Y56-P74 HydrophobicContact CD2-CB 3.94Å; Y56-P74 HydrophobicContact CD2-CG 4.32Å; Y56-P74 HydrophobicContact CE2-CB 3.61Å; Y56-P74 HydrophobicContact CE2-CG 3.53Å; Y56-L75 HydrophobicContact CD1-CD1 4.12Å; Y56-L75 HydrophobicContact CD1-CD2 3.62Å; Y56-L75 HydrophobicContact CD1-CG 3.99Å; Y56-L75 HydrophobicContact CD2-CD2 4.27Å; Y56-L75 HydrophobicContact CD2-CG 4.44Å; Y56-L75 HydrophobicContact CE1-CD1 3.98Å; Y56-L75 HydrophobicContact CE1-CD2 4.28Å; Y56-L75 HydrophobicContact CE1-CG 4.15Å; Y56-L75 HydrophobicContact CG-CD2 3.63Å; Y56-L75 HydrophobicContact CG-CG 4.16Å
57V85.1Confident78.1Confident13 Ų1353.6 Ų53.68%0.07928%0.284CS..Hα-helixtrans-68.3-36.6178.31760000111.8L53 E54 L55 F109 I226L53-V57 WeakPolarHBondContact O-CG2 3.5Å; L53-V57 PolarHBondContact O-N 3.44Å; L53-V57 VanDerWaalsContact O-N 3.1Å; E54-V57 PolarHBondContact O-N 2.97Å; E54-V57 VanDerWaalsContact O-N 3.13Å; L55-V57 VanDerWaalsContact C-N 3.34Å; L55-V57 PolarHBondContact O-N 2.76Å; V57-F109 HydrophobicContact CB-CZ 4.45Å; V57-F109 HydrophobicContact CG1-CE2 4.41Å; V57-F109 HydrophobicContact CG1-CZ 3.99Å; V57-F109 HydrophobicContact CG2-CD2 3.92Å; V57-F109 HydrophobicContact CG2-CE1 4.39Å; V57-F109 HydrophobicContact CG2-CE2 3.38Å; V57-F109 HydrophobicContact CG2-CZ 3.65Å; V57-I226 HydrophobicContact CG1-CG2 4.27Å
58E81.8Confident76.4Confident96 Ų9654.2 Ų54.245%0.44929%0.289SS..Hα-helixtrans-67.1-38176.2-75178.1176.700113W22 E54 L55W22-E58 PolarHBondContact NE1-OE1 3.44Å; E54-E58 WeakPolarHBondContact O-CG 3.35Å; E54-E58 PolarHBondContact O-N 3.43Å; L55-E58 PolarHBondContact O-N 3.16Å
59E81.7Confident74.8Confident130 Ų13060.1 Ų60.161%0.60732%0.318SS*.Hα-helixtrans-73.9-27.4178.3-73.3177.2178.300112.7L55 Y56L55-E59 WeakPolarHBondContact O-CG 3.25Å; L55-E59 PolarHBondContact O-N 2.91Å; Y56-E59 PolarHBondContact O-N 3.31Å
60H77.8Confident73.3Confident75 Ų7571.1 Ų71.135%0.34736%0.359SS..  trans-12065.4-173.5-67.3-76.7000113.9Y56 D62 I63Y56-H60 AromaticContact CD2-CD2 3.54Å; Y56-H60 AromaticContact CD2-NE2 3.93Å; Y56-H60 AromaticContact CE2-CD2 3.2Å; Y56-H60 WeakPolarHBondContact CE2-CD2 3.41Å; Y56-H60 AromaticContact CE2-NE2 3.38Å; Y56-H60 WeakPolarHBondContact CE2-NE2 3.29Å; Y56-H60 AromaticContact CZ-CD2 3.47Å; Y56-H60 VanDerWaalsContact CZ-CD2 3.47Å; Y56-H60 AromaticContact CZ-NE2 3.94Å; Y56-H60 WeakPolarHBondContact O-CB 3.38Å; Y56-H60 PolarHBondContact O-CD2 3.49Å; Y56-H60 PolarHBondContact O-N 2.92Å; Y56-H60 VanDerWaalsContact O-N 3.14Å; H60-D62 VanDerWaalsContact C-N 3.33Å; H60-D62 PolarHBondContact O-N 3.25Å; H60-I63 HydrophobicContact CB-CD1 3.26Å; H60-I63 HydrophobicContact CB-CG1 3.8Å
61K69.8Low72.1Confident114 Ų11472.9 Ų72.950%0.49637%0.367SS..G310 helixtrans-64-33.8177.3-66.5179-1741750112.7I63 I226K61-I63 VanDerWaalsContact C-N 3.26Å; K61-I63 PolarHBondContact O-N 2.95Å; K61-I63 VanDerWaalsContact O-N 3.11Å; K61-I226 HydrophobicContact CB-CD1 3.7Å; K61-I226 HydrophobicContact CG-CD1 4.32Å; K61-I226 WeakPolarHBondContact O-CD1 3.17Å
62D64.1Low71.3Confident146 Ų14676.2 Ų76.278%0.78138%0.383SS*.G310 helixtrans-77.9-3-170.5-53.7-34.9000115.4H60 L64H60-D62 VanDerWaalsContact C-N 3.33Å; H60-D62 PolarHBondContact O-N 3.25Å; D62-L64 VanDerWaalsContact C-N 3.3Å; D62-L64 PolarHBondContact O-N 3.06Å
63I62.4Low70.7Confident23 Ų2381 Ų8112%0.11841%0.408CS..G310 helixtrans-64-28.5-170.3-69.2177.3000113.7Y56 H60 K61 V65 V68 F109Y56-I63 HydrophobicContact CE1-CD1 3.91Å; Y56-I63 WeakPolarHBondContact OH-CD1 3.31Å; H60-I63 HydrophobicContact CB-CD1 3.26Å; H60-I63 HydrophobicContact CB-CG1 3.8Å; K61-I63 VanDerWaalsContact C-N 3.26Å; K61-I63 PolarHBondContact O-N 2.95Å; K61-I63 VanDerWaalsContact O-N 3.11Å; I63-V65 PolarHBondContact O-N 3.42Å; I63-V65 VanDerWaalsContact O-N 3.11Å; I63-V68 HydrophobicContact CG2-CG1 4.45Å; I63-V68 HydrophobicContact CG2-CG2 4.38Å; I63-F109 HydrophobicContact CG2-CD1 4.14Å; I63-F109 HydrophobicContact CG2-CE1 4.49Å
64L61.5Low70.2Confident46 Ų4684.3 Ų84.324%0.24143%0.43CS..G310 helixtrans-72.6-4.2-171.8-65.9175.3000114.6D62 F108 I226 L227 T230D62-L64 VanDerWaalsContact C-N 3.3Å; D62-L64 PolarHBondContact O-N 3.06Å; L64-F108 HydrophobicContact CD2-CE1 3.63Å; L64-F108 HydrophobicContact CD2-CZ 3.94Å; L64-I226 HydrophobicContact CD1-CG1 4.03Å; L64-I226 HydrophobicContact CD1-CG2 4.14Å; L64-L227 HydrophobicContact CD1-CD2 4.05Å; L64-L227 HydrophobicContact CD2-CD2 4.03Å; L64-T230 HydrophobicContact CD1-CG2 4.16Å; L64-T230 VanDerWaalsContact CD1-OG1 3.29Å; L64-T230 WeakPolarHBondContact CD1-OG1 3.42Å
65V50.2Low70.1Confident141 Ų14184 Ų8486%0.85543%0.428SS*.G310 helixtrans-94.61.1-172.3-173.60000113.8I63I63-V65 PolarHBondContact O-N 3.42Å; I63-V65 VanDerWaalsContact O-N 3.11Å
66G53.3Low70.1Confident43 Ų4389.7 Ų89.744%0.44345%0.449SS..SBendtrans-156.4176.6-176.200000115.3V68G66-V68 PolarHBondContact O-N 2.87Å
67P50.4Low70.3Confident127 Ų12795.4 Ų95.483%0.82547%0.474SS*.SBendtrans-60.8109172.526.2-31.3000108.1E69P67-E69 PolarHBondContact O-N 3.28Å
68V54.3Low70.6Confident30 Ų3094.9 Ų94.918%0.18247%0.471CS..  trans-45.1104.4-179.7-177.20000109.4I63 G66 F109I63-V68 HydrophobicContact CG2-CG1 4.45Å; I63-V68 HydrophobicContact CG2-CG2 4.38Å; G66-V68 PolarHBondContact O-N 2.87Å; V68-F109 WeakPolarHBondContact CG1-O 3.25Å
69E56.1Low71.1Confident157 Ų15792 Ų9273%0.73446%0.457SS*.  trans-58.4144.8168.5-70.2-167.8159.100107.5P67 H71P67-E69 PolarHBondContact O-N 3.28Å; E69-H71 VanDerWaalsContact C-N 3.32Å; E69-H71 PolarHBondContact O-CD2 3.43Å; E69-H71 VanDerWaalsContact O-CG 3.25Å; E69-H71 PolarHBondContact O-N 2.88Å; E69-H71 PolarHBondContact O-NE2 3.09Å
70R58.6Low71.6Confident231 Ų23191.9 Ų91.987%0.87246%0.455SS*.  trans-6586.7-166.3-66.8179.6179.8176.70.1112E72R70-E72 PolarHBondContact O-N 3.4Å
71H67Low72.2Confident40 Ų4090.4 Ų90.419%0.18545%0.448CS..THydrogen-bonded Turntrans-79.128177.3-59.6-66.7000113.3Y56 E69 Q73 P74Y56-H71 WeakPolarHBondContact OH-CB 3.35Å; Y56-H71 PolarHBondContact OH-CD2 3.13Å; Y56-H71 PolarHBondContact OH-ND1 2.84Å; E69-H71 VanDerWaalsContact C-N 3.32Å; E69-H71 PolarHBondContact O-CD2 3.43Å; E69-H71 VanDerWaalsContact O-CG 3.25Å; E69-H71 PolarHBondContact O-N 2.88Å; E69-H71 PolarHBondContact O-NE2 3.09Å; H71-Q73 VanDerWaalsContact C-N 3.31Å; H71-Q73 PolarHBondContact O-N 3.45Å; H71-P74 HydrophobicContact CB-CG 4.08Å; H71-P74 VanDerWaalsContact O-CD 3.25Å; H71-P74 WeakPolarHBondContact O-CD 3.41Å; H71-P74 VanDerWaalsContact O-CG 3.3Å; H71-P74 WeakPolarHBondContact O-CG 3.34Å
72E73.9Confident73.3Confident70 Ų7085 Ų8533%0.32742%0.424SS..THydrogen-bonded Turntrans-69.4-29.8-178.2-175.6160.7-151.700112.3R70 Y76 K79 K112R70-E72 PolarHBondContact O-N 3.4Å; E72-Y76 PolarHBondContact O-N 3.33Å; E72-K79 IonicContact OE1-NZ 2.85Å; E72-K79 PolarHBondContact OE1-NZ 3.38Å; E72-K112 IonicContact OE1-NZ 2.73Å; E72-K112 PolarHBondContact OE1-NZ 2.86Å; E72-K112 WeakPolarHBondContact OE2-CE 3.41Å; E72-K112 IonicContact OE2-NZ 2.66Å; E72-K112 PolarHBondContact OE2-NZ 3.09Å
73Q79.6Confident74.6Confident175 Ų17582.3 Ų82.382%0.81841%0.408SS*.THydrogen-bonded Turntrans-66.8-52.4178.2-67.8-158.8-3.900114.2H71 L75 Y76H71-Q73 VanDerWaalsContact C-N 3.31Å; H71-Q73 PolarHBondContact O-N 3.45Å; Q73-L75 VanDerWaalsContact C-N 3.3Å; Q73-L75 PolarHBondContact O-N 2.88Å; Q73-Y76 VanDerWaalsContact O-CB 3.3Å; Q73-Y76 WeakPolarHBondContact O-CB 3.16Å; Q73-Y76 PolarHBondContact O-N 3.35Å
74P81.6Confident75.8Confident71 Ų7182.4 Ų82.446%0.46141%0.412SS..THydrogen-bonded Turntrans-63.4-36.5179.423-33.7000112.5Y56 H71 Y76Y56-P74 HydrophobicContact CD2-CB 3.94Å; Y56-P74 HydrophobicContact CD2-CG 4.32Å; Y56-P74 HydrophobicContact CE2-CB 3.61Å; Y56-P74 HydrophobicContact CE2-CG 3.53Å; H71-P74 HydrophobicContact CB-CG 4.08Å; H71-P74 VanDerWaalsContact O-CD 3.25Å; H71-P74 WeakPolarHBondContact O-CD 3.41Å; H71-P74 VanDerWaalsContact O-CG 3.3Å; H71-P74 WeakPolarHBondContact O-CG 3.34Å; P74-Y76 VanDerWaalsContact C-N 3.28Å; P74-Y76 PolarHBondContact O-N 3.22Å
75L87.7Confident77Confident2 Ų280.2 Ų80.21%0.0140%0.401CS..THydrogen-bonded Turntrans-80.9-2.5-179.7-70.4171.6000114.2L53 Y56 Q73 K77 A78 K79 L106 F109L53-L75 HydrophobicContact CD1-CD2 3.74Å; Y56-L75 HydrophobicContact CD1-CD1 4.12Å; Y56-L75 HydrophobicContact CD1-CD2 3.62Å; Y56-L75 HydrophobicContact CD1-CG 3.99Å; Y56-L75 HydrophobicContact CD2-CD2 4.27Å; Y56-L75 HydrophobicContact CD2-CG 4.44Å; Y56-L75 HydrophobicContact CE1-CD1 3.98Å; Y56-L75 HydrophobicContact CE1-CD2 4.28Å; Y56-L75 HydrophobicContact CE1-CG 4.15Å; Y56-L75 HydrophobicContact CG-CD2 3.63Å; Y56-L75 HydrophobicContact CG-CG 4.16Å; Q73-L75 VanDerWaalsContact C-N 3.3Å; Q73-L75 PolarHBondContact O-N 2.88Å; L75-K77 VanDerWaalsContact C-N 3.29Å; L75-K77 PolarHBondContact O-N 3.01Å; L75-A78 PolarHBondContact O-N 3.3Å; L75-K79 WeakPolarHBondContact O-CB 3.26Å; L75-K79 PolarHBondContact O-N 2.78Å; L75-L106 HydrophobicContact CB-CD1 4.33Å; L75-L106 HydrophobicContact CB-CD2 4.39Å; L75-L106 HydrophobicContact CB-CG 4.14Å; L75-L106 HydrophobicContact CD1-CG 4.32Å; L75-L106 HydrophobicContact CD2-CG 4.49Å; L75-F109 HydrophobicContact CD1-CB 3.75Å
76Y89Confident78.7Confident142 Ų14277.4 Ų77.456%0.55738%0.377SS*.Hα-helixtrans-58-40.2-179.7178.5-99.5000112.6E72 Q73 P74 K79 K80E72-Y76 PolarHBondContact O-N 3.33Å; Q73-Y76 VanDerWaalsContact O-CB 3.3Å; Q73-Y76 WeakPolarHBondContact O-CB 3.16Å; Q73-Y76 PolarHBondContact O-N 3.35Å; P74-Y76 VanDerWaalsContact C-N 3.28Å; P74-Y76 PolarHBondContact O-N 3.22Å; Y76-K79 PolarHBondContact O-N 2.91Å; Y76-K80 HydrophobicContact CE1-CD 4.44Å; Y76-K80 WeakPolarHBondContact O-CB 3.36Å; Y76-K80 PolarHBondContact O-N 2.94Å
77K89.8Confident80.2Confident132 Ų13281.8 Ų81.857%0.57439%0.391SS*.Hα-helixtrans-62.4-49.5178-69.9-178.2-178.6175.40111.3Y52 L75 K79 K80 H81Y52-K77 HydrophobicContact CD2-CB 4.4Å; L75-K77 VanDerWaalsContact C-N 3.29Å; L75-K77 PolarHBondContact O-N 3.01Å; K77-K79 VanDerWaalsContact C-N 3.35Å; K77-K79 PolarHBondContact O-N 3.3Å; K77-K80 PolarHBondContact O-N 3.46Å; K77-H81 PolarHBondContact O-CD2 3.18Å; K77-H81 PolarHBondContact O-N 3.39Å; K77-H81 VanDerWaalsContact O-N 3.16Å
78A91.7Very high81.5Confident1 Ų177.5 Ų77.51%0.00836%0.364CS..Hα-helixtrans-59.1-46.6176.900000111.2L53 L75 K80 H81 L82 L106L53-A78 HydrophobicContact CB-CB 4.26Å; L75-A78 PolarHBondContact O-N 3.3Å; A78-K80 PolarHBondContact O-N 3.03Å; A78-H81 PolarHBondContact O-N 2.68Å; A78-L82 WeakPolarHBondContact O-CG 3.41Å; A78-L82 PolarHBondContact O-N 3.17Å; A78-L106 HydrophobicContact CB-CD1 3.68Å
79K92.2Very high82.2Confident35 Ų3584 Ų8415%0.15240%0.397CS..Hα-helixtrans-59.4-47.1178.8-174.3178.8179.9-178.90112.1E72 L75 Y76 K77 H81 L82 M83 L103 L106 Y107E72-K79 IonicContact OE1-NZ 2.85Å; E72-K79 PolarHBondContact OE1-NZ 3.38Å; L75-K79 WeakPolarHBondContact O-CB 3.26Å; L75-K79 PolarHBondContact O-N 2.78Å; Y76-K79 PolarHBondContact O-N 2.91Å; K77-K79 VanDerWaalsContact C-N 3.35Å; K77-K79 PolarHBondContact O-N 3.3Å; K79-H81 VanDerWaalsContact C-N 3.33Å; K79-H81 PolarHBondContact O-N 3.39Å; K79-L82 PolarHBondContact O-N 3.16Å; K79-M83 HydrophobicContact CD-SD 4.49Å; K79-M83 HydrophobicContact CG-CG 4.34Å; K79-M83 HydrophobicContact CG-SD 3.93Å; K79-M83 WeakPolarHBondContact O-CB 3.41Å; K79-M83 VanDerWaalsContact O-CG 3.28Å; K79-M83 WeakPolarHBondContact O-CG 3.45Å; K79-M83 PolarHBondContact O-N 3.02Å; K79-L103 HydrophobicContact CG-CD1 4.46Å; K79-L106 HydrophobicContact CB-CD1 3.78Å; K79-L106 HydrophobicContact CB-CD2 4Å; K79-L106 HydrophobicContact CD-CD2 4.31Å; K79-L106 HydrophobicContact CG-CD2 4.24Å; K79-L106 VanDerWaalsContact N-CD1 3.33Å; K79-Y107 WeakPolarHBondContact CE-OH 3.42Å
80K92Very high83Confident129 Ų12983.7 Ų83.756%0.56140%0.401SS*.Hα-helixtrans-57.9-46178.7-178.9-177.8177-177.70111.4Y76 K77 A78 A84Y76-K80 HydrophobicContact CE1-CD 4.44Å; Y76-K80 WeakPolarHBondContact O-CB 3.36Å; Y76-K80 PolarHBondContact O-N 2.94Å; K77-K80 PolarHBondContact O-N 3.46Å; A78-K80 PolarHBondContact O-N 3.03Å; K80-A84 WeakPolarHBondContact O-CB 3.4Å; K80-A84 PolarHBondContact O-N 3.15Å; K80-A84 VanDerWaalsContact O-N 3.1Å
81H91.2Very high83.8Confident43 Ų4374.4 Ų74.420%0.19937%0.37CS..Hα-helixtrans-68-45.5179.6-79.8-66.6000112.4N45 F48 Y52 K77 A78 K79 M83 A84 V85N45-H81 WeakPolarHBondContact O-CB 3.42Å; N45-H81 PolarHBondContact OD1-ND1 3.46Å; F48-H81 HydrophobicContact CB-CB 4.22Å; Y52-H81 AromaticContact CE2-CD2 3.92Å; K77-H81 PolarHBondContact O-CD2 3.18Å; K77-H81 PolarHBondContact O-N 3.39Å; K77-H81 VanDerWaalsContact O-N 3.16Å; A78-H81 PolarHBondContact O-N 2.68Å; K79-H81 VanDerWaalsContact C-N 3.33Å; K79-H81 PolarHBondContact O-N 3.39Å; H81-M83 PolarHBondContact O-N 2.87Å; H81-A84 PolarHBondContact O-N 2.87Å; H81-V85 PolarHBondContact O-N 3.22Å
82L92.2Very high84.4Confident0 Ų079.9 Ų79.90%039%0.393CS..Hα-helixtrans-63.3-38.9176.9-71174.3000112.5F46 A78 K79 V85 L102 L103 L106F46-L82 HydrophobicContact CD2-CD2 4.45Å; A78-L82 WeakPolarHBondContact O-CG 3.41Å; A78-L82 PolarHBondContact O-N 3.17Å; K79-L82 PolarHBondContact O-N 3.16Å; L82-V85 WeakPolarHBondContact O-CB 3.21Å; L82-V85 PolarHBondContact O-N 2.76Å; L82-L102 HydrophobicContact CD1-CB 3.97Å; L82-L102 HydrophobicContact CD2-CB 4.13Å; L82-L102 HydrophobicContact CD2-CD1 4.18Å; L82-L103 HydrophobicContact CB-CD1 4.41Å; L82-L106 HydrophobicContact CD1-CD1 4.21Å
83M91.1Very high84.8Confident91 Ų9185 Ų8545%0.44842%0.417SS..Hα-helixtrans-67.2-38.6176.4-72.3-174.971.500112.1K79 H81 V85 F86K79-M83 HydrophobicContact CD-SD 4.49Å; K79-M83 HydrophobicContact CG-CG 4.34Å; K79-M83 HydrophobicContact CG-SD 3.93Å; K79-M83 WeakPolarHBondContact O-CB 3.41Å; K79-M83 VanDerWaalsContact O-CG 3.28Å; K79-M83 WeakPolarHBondContact O-CG 3.45Å; K79-M83 PolarHBondContact O-N 3.02Å; H81-M83 PolarHBondContact O-N 2.87Å; M83-V85 PolarHBondContact O-N 3.43Å; M83-V85 VanDerWaalsContact O-N 3.15Å; M83-F86 PolarHBondContact O-N 3.29Å; M83-F86 VanDerWaalsContact O-N 3.09Å
84A88.6Confident84.9Confident25 Ų2582.1 Ų82.121%0.20740%0.403CS..Hα-helixtrans-64.3-16.4178.100000113.9N45 K80 H81 F86 D87N45-A84 HydrophobicContact CB-CB 4.44Å; K80-A84 WeakPolarHBondContact O-CB 3.4Å; K80-A84 PolarHBondContact O-N 3.15Å; K80-A84 VanDerWaalsContact O-N 3.1Å; H81-A84 PolarHBondContact O-N 2.87Å; A84-F86 VanDerWaalsContact C-N 3.3Å; A84-D87 PolarHBondContact O-N 3.47Å
85V86.9Confident85Confident0 Ų080.1 Ų80.10%039%0.39CS..Hα-helixtrans-61.9-41.6172.2-179.30000110.3N45 F46 H81 L82 M83 D87 S88 V91 V95 A99N45-V85 HydrophobicContact CB-CG2 4.14Å; F46-V85 HydrophobicContact CB-CG2 3.81Å; H81-V85 PolarHBondContact O-N 3.22Å; L82-V85 WeakPolarHBondContact O-CB 3.21Å; L82-V85 PolarHBondContact O-N 2.76Å; M83-V85 PolarHBondContact O-N 3.43Å; M83-V85 VanDerWaalsContact O-N 3.15Å; V85-D87 VanDerWaalsContact C-N 3.31Å; V85-D87 PolarHBondContact O-N 3.28Å; V85-S88 PolarHBondContact O-N 3.01Å; V85-S88 PolarHBondContact O-OG 3.48Å; V85-V91 HydrophobicContact CG1-CG1 4.14Å; V85-V91 HydrophobicContact CG1-CG2 4.34Å; V85-V91 WeakPolarHBondContact O-CG2 3.4Å; V85-V95 HydrophobicContact CG1-CG1 4.04Å; V85-A99 HydrophobicContact CG1-CB 4.4Å
86F86.1Confident85Confident81 Ų8181.2 Ų81.236%0.35540%0.399SS..THydrogen-bonded Turntrans-76.2-14.6-176.7-60.7-73.4000114.2M83 A84 S88 A96 A99 N100M83-F86 PolarHBondContact O-N 3.29Å; M83-F86 VanDerWaalsContact O-N 3.09Å; A84-F86 VanDerWaalsContact C-N 3.3Å; F86-S88 PolarHBondContact O-N 2.89Å; F86-A96 HydrophobicContact CE1-CB 4.26Å; F86-A99 HydrophobicContact CE2-CB 4.23Å; F86-A99 HydrophobicContact CZ-CB 3.87Å; F86-N100 WeakPolarHBondContact CE1-ND2 3.31Å; F86-N100 WeakPolarHBondContact CZ-ND2 3.38Å
87D83.7Confident84.9Confident136 Ų13676.7 Ų76.773%0.72738%0.384SS*.THydrogen-bonded Turntrans-75.9-13.2176.9-65.1-26.8000112.4A84 V85A84-D87 PolarHBondContact O-N 3.47Å; V85-D87 VanDerWaalsContact C-N 3.31Å; V85-D87 PolarHBondContact O-N 3.28Å
88S77.6Confident84.9Confident37 Ų3772.2 Ų72.226%0.25937%0.365SS..SBendtrans-87.4138.9178.968.50000112S42 V85 F86 D90 V91S42-S88 VanDerWaalsContact CB-OG 3.25Å; S42-S88 WeakPolarHBondContact CB-OG 3.43Å; V85-S88 PolarHBondContact O-N 3.01Å; V85-S88 PolarHBondContact O-OG 3.48Å; F86-S88 PolarHBondContact O-N 2.89Å; S88-D90 VanDerWaalsContact C-N 3.31Å; S88-D90 PolarHBondContact O-N 3.26Å; S88-V91 WeakPolarHBondContact O-CG2 3.45Å; S88-V91 WeakPolarHBondContact OG-CG2 3.48Å
89N70.2Confident84.9Confident166 Ų16672.1 Ų72.189%0.88837%0.365SS*.THydrogen-bonded Turntrans-74.7-18.8-178.9-71.7-19.8000113.7
90D72.5Confident85Confident151 Ų15171.1 Ų71.181%0.80736%0.361SS*.THydrogen-bonded Turntrans-107.938.9-173.1-77.4-27.8000113.3S88 K92S88-D90 VanDerWaalsContact C-N 3.31Å; S88-D90 PolarHBondContact O-N 3.26Å; D90-K92 PolarHBondContact O-N 3.35Å
91V74.3Confident85Confident36 Ų3665.2 Ų65.222%0.21834%0.336CS..  trans-76.8119.4177-170.90000110.4V85 S88 V95 A96V85-V91 HydrophobicContact CG1-CG1 4.14Å; V85-V91 HydrophobicContact CG1-CG2 4.34Å; V85-V91 WeakPolarHBondContact O-CG2 3.4Å; S88-V91 WeakPolarHBondContact O-CG2 3.45Å; S88-V91 WeakPolarHBondContact OG-CG2 3.48Å; V91-V95 HydrophobicContact CG1-CB 4.25Å; V91-V95 HydrophobicContact CG1-CG1 4.37Å; V91-A96 HydrophobicContact CG1-CB 3.76Å
92K80.2Confident85.1Confident155 Ų15563.2 Ų63.267%0.67433%0.326SS*.  trans-60.1137.6168.6-65.4-178.5-179.6178.90109.8D90 E94 V95 A96D90-K92 PolarHBondContact O-N 3.35Å; K92-E94 PolarHBondContact O-N 3.47Å; K92-E94 VanDerWaalsContact O-N 3.13Å; K92-V95 HydrophobicContact CB-CG2 4.23Å; K92-V95 PolarHBondContact O-N 3.13Å; K92-A96 PolarHBondContact O-N 3.44Å
93Q82.2Confident85.2Confident178 Ų17863.7 Ų63.783%0.83233%0.329SS*.Hα-helixtrans-53.6-37.2-179.2-69.7-178.7-10.300113.1A96 L97Q93-A96 PolarHBondContact O-N 2.9Å; Q93-L97 WeakPolarHBondContact O-CB 3.42Å; Q93-L97 PolarHBondContact O-N 3.33Å
94E81.1Confident85.3Confident114 Ų11459.3 Ų59.353%0.53331%0.307SS..Hα-helixtrans-62.8-43.6176.6-60.3-178.517700112.5K92 L97 E98 K133K92-E94 PolarHBondContact O-N 3.47Å; K92-E94 VanDerWaalsContact O-N 3.13Å; E94-L97 WeakPolarHBondContact O-CB 3.4Å; E94-L97 PolarHBondContact O-N 3.1Å; E94-E98 PolarHBondContact O-N 3.06Å; E94-K133 IonicContact OE1-NZ 3.15Å; E94-K133 PolarHBondContact OE1-NZ 3.49Å; E94-K133 IonicContact OE2-NZ 3.03Å; E94-K133 PolarHBondContact OE2-NZ 2.91Å
95V84.8Confident85.4Confident29 Ų2958.2 Ų58.218%0.17630%0.298CS..Hα-helixtrans-69.6-38.4178.5178.40000110.7F46 V85 V91 K92 L97 E98 A99F46-V95 HydrophobicContact CB-CG1 4.26Å; F46-V95 HydrophobicContact CD1-CG1 4.18Å; F46-V95 HydrophobicContact CD2-CG1 4.01Å; F46-V95 HydrophobicContact CE2-CG1 4.4Å; F46-V95 HydrophobicContact CG-CG1 3.9Å; V85-V95 HydrophobicContact CG1-CG1 4.04Å; V91-V95 HydrophobicContact CG1-CB 4.25Å; V91-V95 HydrophobicContact CG1-CG1 4.37Å; K92-V95 HydrophobicContact CB-CG2 4.23Å; K92-V95 PolarHBondContact O-N 3.13Å; V95-L97 VanDerWaalsContact C-N 3.3Å; V95-L97 PolarHBondContact O-N 3.37Å; V95-E98 PolarHBondContact O-N 3.43Å; V95-A99 WeakPolarHBondContact O-CB 3.33Å; V95-A99 PolarHBondContact O-N 3.5Å
96A86.7Confident85.7Confident24 Ų2458.2 Ų58.220%0.19830%0.298CS..Hα-helixtrans-62.7-38.4174.600000112.1F86 V91 K92 Q93 N100F86-A96 HydrophobicContact CE1-CB 4.26Å; V91-A96 HydrophobicContact CG1-CB 3.76Å; K92-A96 PolarHBondContact O-N 3.44Å; Q93-A96 PolarHBondContact O-N 2.9Å; A96-N100 PolarHBondContact O-N 3.01Å; A96-N100 VanDerWaalsContact O-N 3.16Å; A96-N100 PolarHBondContact O-ND2 3.15Å
97L88.4Confident85.9Confident47 Ų4755.6 Ų55.625%0.24629%0.286CS..Hα-helixtrans-63.6-57175.4-179.1166.7000110.3Q93 E94 V95 A99 N100 L101 L128Q93-L97 WeakPolarHBondContact O-CB 3.42Å; Q93-L97 PolarHBondContact O-N 3.33Å; E94-L97 WeakPolarHBondContact O-CB 3.4Å; E94-L97 PolarHBondContact O-N 3.1Å; V95-L97 VanDerWaalsContact C-N 3.3Å; V95-L97 PolarHBondContact O-N 3.37Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 3.41Å; L97-N100 PolarHBondContact O-N 3.07Å; L97-N100 VanDerWaalsContact O-N 3.12Å; L97-L101 HydrophobicContact CD2-CD1 3.72Å; L97-L101 HydrophobicContact CD2-CG 4.15Å; L97-L101 WeakPolarHBondContact O-CG 3.35Å; L97-L101 PolarHBondContact O-N 2.79Å; L97-L101 VanDerWaalsContact O-N 3.11Å; L97-L128 HydrophobicContact CD1-CD2 3.43Å; L97-L128 VanDerWaalsContact CD1-CD2 3.43Å; L97-L128 HydrophobicContact CD2-CD2 4.48Å; L97-L128 HydrophobicContact CG-CD2 4.26Å
98E89.9Confident86.2Confident38 Ų3849.5 Ų49.518%0.17825%0.253CS..Hα-helixtrans-59.9-40.4-179.7-69.4-169.4-175.300112.1R17 F46 E94 V95 N100 L101 L102 R136 L140R17-E98 IonicContact NH2-OE2 3.86Å; F46-E98 HydrophobicContact CE2-CB 3.91Å; F46-E98 HydrophobicContact CZ-CB 3.67Å; F46-E98 VanDerWaalsContact CZ-OE2 3.29Å; F46-E98 WeakPolarHBondContact CZ-OE2 3.39Å; E94-E98 PolarHBondContact O-N 3.06Å; V95-E98 PolarHBondContact O-N 3.43Å; E98-N100 VanDerWaalsContact C-N 3.3Å; E98-N100 PolarHBondContact O-N 2.99Å; E98-L101 PolarHBondContact O-N 2.74Å; E98-L101 VanDerWaalsContact O-N 3.11Å; E98-L102 WeakPolarHBondContact O-CG 3.02Å; E98-L102 PolarHBondContact O-N 3.24Å; E98-R136 IonicContact OE1-NH1 3.98Å; E98-R136 PolarHBondContact OE1-NH1 3.44Å; E98-R136 IonicContact OE2-CZ 2.74Å; E98-R136 VanDerWaalsContact OE2-CZ 3.3Å; E98-R136 IonicContact OE2-NH1 3.12Å; E98-R136 PolarHBondContact OE2-NH1 3.47Å; E98-R136 IonicContact OE2-NH2 2.8Å; E98-R136 PolarHBondContact OE2-NH2 2.85Å; E98-L140 HydrophobicContact CB-CD2 4.12Å; E98-L140 HydrophobicContact CG-CD2 4.02Å
99A91.1Very high86.7Confident0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-61.6-37.5177.400000112.2F46 V85 F86 V95 L97 L103F46-A99 HydrophobicContact CD2-CB 4Å; F46-A99 HydrophobicContact CE2-CB 4.06Å; V85-A99 HydrophobicContact CG1-CB 4.4Å; F86-A99 HydrophobicContact CE2-CB 4.23Å; F86-A99 HydrophobicContact CZ-CB 3.87Å; V95-A99 WeakPolarHBondContact O-CB 3.33Å; V95-A99 PolarHBondContact O-N 3.5Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 3.41Å; A99-L103 WeakPolarHBondContact O-CB 3.47Å; A99-L103 PolarHBondContact O-N 3.48Å
100N93.2Very high87.5Confident13 Ų1340.4 Ų40.47%0.0720%0.201CC..Hα-helixtrans-69.2-35.1174.1-80.8-65.2000112.4F86 A96 L97 E98 L103 S104 A123F86-N100 WeakPolarHBondContact CE1-ND2 3.31Å; F86-N100 WeakPolarHBondContact CZ-ND2 3.38Å; A96-N100 PolarHBondContact O-N 3.01Å; A96-N100 VanDerWaalsContact O-N 3.16Å; A96-N100 PolarHBondContact O-ND2 3.15Å; L97-N100 PolarHBondContact O-N 3.07Å; L97-N100 VanDerWaalsContact O-N 3.12Å; E98-N100 VanDerWaalsContact C-N 3.3Å; E98-N100 PolarHBondContact O-N 2.99Å; N100-L103 PolarHBondContact O-N 3.46Å; N100-S104 PolarHBondContact O-N 2.95Å; N100-A123 HydrophobicContact CB-CB 3.78Å
101L92.8Very high88.1Confident6 Ų634.4 Ų34.43%0.03118%0.176CC..Hα-helixtrans-68.7-40.6175.3-59.9-173.3000112L97 E98 S104 K105 F120 A123 L125 L140 A144L97-L101 HydrophobicContact CD2-CD1 3.72Å; L97-L101 HydrophobicContact CD2-CG 4.15Å; L97-L101 WeakPolarHBondContact O-CG 3.35Å; L97-L101 PolarHBondContact O-N 2.79Å; L97-L101 VanDerWaalsContact O-N 3.11Å; E98-L101 PolarHBondContact O-N 2.74Å; E98-L101 VanDerWaalsContact O-N 3.11Å; L101-S104 PolarHBondContact O-N 3.14Å; L101-S104 PolarHBondContact O-OG 3.27Å; L101-K105 PolarHBondContact O-N 2.94Å; L101-K105 VanDerWaalsContact O-N 3.08Å; L101-F120 HydrophobicContact CD2-CD1 3.98Å; L101-F120 HydrophobicContact CD2-CE1 4.2Å; L101-A123 HydrophobicContact CD2-CB 3.79Å; L101-L125 HydrophobicContact CD2-CD1 3.66Å; L101-L140 HydrophobicContact CB-CD1 4.28Å; L101-L140 HydrophobicContact CB-CD2 4.35Å; L101-L140 HydrophobicContact CB-CG 4.23Å; L101-L140 HydrophobicContact CD1-CD2 4.33Å; L101-L140 HydrophobicContact CD1-CG 4.16Å; L101-A144 HydrophobicContact CD1-CB 4.25Å; L101-A144 HydrophobicContact CD2-CB 3.91Å; L101-A144 HydrophobicContact CG-CB 4.44Å
102L93.8Very high88.8Confident0 Ų035.7 Ų35.70%018%0.178CC..Hα-helixtrans-67.9-38.3174.1-67.8172.4000111.4F46 E50 L53 L82 E98 K105 L106 L140F46-L102 HydrophobicContact CE2-CD1 3.77Å; F46-L102 HydrophobicContact CZ-CD1 4.19Å; E50-L102 HydrophobicContact CB-CD1 3.7Å; E50-L102 HydrophobicContact CG-CD1 3.76Å; E50-L102 HydrophobicContact CG-CD2 4.11Å; L53-L102 HydrophobicContact CD2-CB 4.16Å; L53-L102 HydrophobicContact CD2-CD2 4.17Å; L53-L102 VanDerWaalsContact CD2-O 3.27Å; L53-L102 WeakPolarHBondContact CD2-O 3.49Å; L82-L102 HydrophobicContact CD1-CB 3.97Å; L82-L102 HydrophobicContact CD2-CB 4.13Å; L82-L102 HydrophobicContact CD2-CD1 4.18Å; E98-L102 WeakPolarHBondContact O-CG 3.02Å; E98-L102 PolarHBondContact O-N 3.24Å; L102-K105 WeakPolarHBondContact O-CB 3.45Å; L102-K105 PolarHBondContact O-N 3.38Å; L102-L106 WeakPolarHBondContact O-CB 3.46Å; L102-L106 PolarHBondContact O-N 3.07Å; L102-L140 HydrophobicContact CD2-CD1 3.7Å; L102-L140 HydrophobicContact CG-CD1 4.27Å
103L93.6Very high89.2Confident10 Ų1030.5 Ų30.55%0.05216%0.155CC..Hα-helixtrans-66.6-36.8176.8-171.866.2000111.9K79 L82 A99 N100 L106 Y107K79-L103 HydrophobicContact CG-CD1 4.46Å; L82-L103 HydrophobicContact CB-CD1 4.41Å; A99-L103 WeakPolarHBondContact O-CB 3.47Å; A99-L103 PolarHBondContact O-N 3.48Å; N100-L103 PolarHBondContact O-N 3.46Å; L103-L106 WeakPolarHBondContact O-CB 3.28Å; L103-L106 PolarHBondContact O-N 3.28Å; L103-Y107 HydrophobicContact CD1-CD2 4.35Å; L103-Y107 HydrophobicContact CD1-CE2 3.81Å; L103-Y107 HydrophobicContact CD2-CE2 3.77Å; L103-Y107 HydrophobicContact CG-CD2 3.86Å; L103-Y107 HydrophobicContact CG-CE2 3.45Å; L103-Y107 VanDerWaalsContact CG-CE2 3.45Å; L103-Y107 WeakPolarHBondContact O-CD2 3.43Å; L103-Y107 PolarHBondContact O-N 2.85Å
104S92.8Very high89.6Confident0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-66.4-39.6173.468.40000111.8N100 L101 Y107 F108 A116 F120N100-S104 PolarHBondContact O-N 2.95Å; L101-S104 PolarHBondContact O-N 3.14Å; L101-S104 PolarHBondContact O-OG 3.27Å; S104-Y107 PolarHBondContact O-N 3.3Å; S104-F108 WeakPolarHBondContact O-CB 3.5Å; S104-F108 PolarHBondContact O-N 3.38Å; S104-A116 WeakPolarHBondContact CB-O 3.29Å; S104-A116 WeakPolarHBondContact O-CB 3.37Å; S104-F120 WeakPolarHBondContact OG-CE1 3.41Å; S104-F120 WeakPolarHBondContact OG-CZ 3.4Å
105K92.4Very high90.1Very high2 Ų224.3 Ų24.31%0.00913%0.131CC..Hα-helixtrans-59.5-45.5171.5-180171.9175.1-179.10111.7L53 E54 L101 L102 Y107 F108 F109 E143 I147 L227L53-K105 HydrophobicContact CD2-CB 4.22Å; L53-K105 HydrophobicContact CD2-CD 4.25Å; L53-K105 HydrophobicContact CD2-CG 4.14Å; E54-K105 IonicContact OE1-NZ 2.89Å; E54-K105 PolarHBondContact OE1-NZ 3.21Å; E54-K105 IonicContact OE2-NZ 3.58Å; E54-K105 PolarHBondContact OE2-NZ 3.34Å; L101-K105 PolarHBondContact O-N 2.94Å; L101-K105 VanDerWaalsContact O-N 3.08Å; L102-K105 WeakPolarHBondContact O-CB 3.45Å; L102-K105 PolarHBondContact O-N 3.38Å; K105-Y107 PolarHBondContact O-N 2.87Å; K105-F108 WeakPolarHBondContact O-CB 3.32Å; K105-F108 PolarHBondContact O-N 2.92Å; K105-F109 HydrophobicContact CG-CD2 4.12Å; K105-F109 HydrophobicContact CG-CE2 3.86Å; K105-F109 VanDerWaalsContact O-CD2 3.23Å; K105-F109 WeakPolarHBondContact O-CD2 3.49Å; K105-F109 PolarHBondContact O-N 3.25Å; K105-F109 VanDerWaalsContact O-N 3.17Å; K105-E143 WeakPolarHBondContact CE-OE2 3.41Å; K105-E143 IonicContact NZ-OE1 3.68Å; K105-E143 IonicContact NZ-OE2 3.02Å; K105-E143 PolarHBondContact NZ-OE2 2.69Å; K105-I147 HydrophobicContact CB-CD1 3.59Å; K105-I147 HydrophobicContact CD-CD1 4.25Å; K105-I147 HydrophobicContact CG-CD1 3.63Å; K105-L227 HydrophobicContact CD-CD1 4.22Å; K105-L227 HydrophobicContact CG-CD1 4.45Å
106L91.6Very high90.5Very high0 Ų022.9 Ų22.90%012%0.123CC..Hα-helixtrans-59.1-45.7174.3-173.2153.5000112.2L53 L75 A78 K79 L82 L102 L103 F108 F109 C110L53-L106 HydrophobicContact CD1-CB 3.97Å; L53-L106 HydrophobicContact CD1-CG 4.32Å; L53-L106 HydrophobicContact CD2-CB 4.31Å; L75-L106 HydrophobicContact CB-CD1 4.33Å; L75-L106 HydrophobicContact CB-CD2 4.39Å; L75-L106 HydrophobicContact CB-CG 4.14Å; L75-L106 HydrophobicContact CD1-CG 4.32Å; L75-L106 HydrophobicContact CD2-CG 4.49Å; A78-L106 HydrophobicContact CB-CD1 3.68Å; K79-L106 HydrophobicContact CB-CD1 3.78Å; K79-L106 HydrophobicContact CB-CD2 4Å; K79-L106 HydrophobicContact CD-CD2 4.31Å; K79-L106 HydrophobicContact CG-CD2 4.24Å; K79-L106 VanDerWaalsContact N-CD1 3.33Å; L82-L106 HydrophobicContact CD1-CD1 4.21Å; L102-L106 WeakPolarHBondContact O-CB 3.46Å; L102-L106 PolarHBondContact O-N 3.07Å; L103-L106 WeakPolarHBondContact O-CB 3.28Å; L103-L106 PolarHBondContact O-N 3.28Å; L106-F108 VanDerWaalsContact C-N 3.32Å; L106-F108 PolarHBondContact O-N 3.05Å; L106-F109 PolarHBondContact O-N 3.22Å; L106-C110 PolarHBondContact O-N 3.18Å; L106-C110 PolarHBondContact O-SG 3.03Å
107Y91.6Very high90.7Very high25 Ų2523.3 Ų23.310%0.09812%0.121CC..Hα-helixtrans-66.3-34.4179.4-78.1-49.6000112.9K79 L103 S104 K105 C110 G111 K112 D115K79-Y107 WeakPolarHBondContact CE-OH 3.42Å; L103-Y107 HydrophobicContact CD1-CD2 4.35Å; L103-Y107 HydrophobicContact CD1-CE2 3.81Å; L103-Y107 HydrophobicContact CD2-CE2 3.77Å; L103-Y107 HydrophobicContact CG-CD2 3.86Å; L103-Y107 HydrophobicContact CG-CE2 3.45Å; L103-Y107 VanDerWaalsContact CG-CE2 3.45Å; L103-Y107 WeakPolarHBondContact O-CD2 3.43Å; L103-Y107 PolarHBondContact O-N 2.85Å; S104-Y107 PolarHBondContact O-N 3.3Å; K105-Y107 PolarHBondContact O-N 2.87Å; Y107-C110 CarbonylContact O-C 3.56Å; Y107-C110 WeakPolarHBondContact O-CB 2.86Å; Y107-C110 PolarHBondContact O-N 3.28Å; Y107-C110 VanDerWaalsContact O-N 3.17Å; Y107-G111 PolarHBondContact O-N 3.48Å; Y107-K112 HydrophobicContact CD1-CB 4.09Å; Y107-K112 HydrophobicContact CD1-CD 4.19Å; Y107-K112 HydrophobicContact CE1-CD 4.45Å; Y107-K112 PolarHBondContact O-N 3.15Å; Y107-D115 HydrophobicContact CD1-CB 3.91Å; Y107-D115 HydrophobicContact CD2-CB 3.77Å; Y107-D115 HydrophobicContact CE1-CB 4.2Å; Y107-D115 HydrophobicContact CE2-CB 4.04Å; Y107-D115 HydrophobicContact CG-CB 3.72Å
108F89.4Confident90.9Very high8 Ų823.7 Ų23.74%0.03513%0.126CC..Hα-helixtrans-60-49172.7175-103.2000111.7L64 S104 K105 L106 C110 G111 Y113 I147 F150 I154 L227L64-F108 HydrophobicContact CD2-CE1 3.63Å; L64-F108 HydrophobicContact CD2-CZ 3.94Å; S104-F108 WeakPolarHBondContact O-CB 3.5Å; S104-F108 PolarHBondContact O-N 3.38Å; K105-F108 WeakPolarHBondContact O-CB 3.32Å; K105-F108 PolarHBondContact O-N 2.92Å; L106-F108 VanDerWaalsContact C-N 3.32Å; L106-F108 PolarHBondContact O-N 3.05Å; F108-C110 PolarHBondContact O-N 3.06Å; F108-G111 PolarHBondContact O-N 3.43Å; F108-Y113 AromaticContact CD2-CD1 4Å; F108-Y113 HydrophobicContact CD2-CD1 4Å; F108-Y113 AromaticContact CD2-CE1 3.95Å; F108-Y113 HydrophobicContact CD2-CE1 3.95Å; F108-Y113 HydrophobicContact CE2-CD1 4.45Å; F108-Y113 HydrophobicContact CE2-CE1 4.11Å; F108-I147 HydrophobicContact CB-CG2 3.51Å; F108-I147 HydrophobicContact CD1-CD1 4.49Å; F108-I147 HydrophobicContact CD1-CG1 4.23Å; F108-I147 HydrophobicContact CD1-CG2 4.27Å; F108-I147 HydrophobicContact CD2-CG2 3.82Å; F108-I147 HydrophobicContact CG-CG1 4.4Å; F108-I147 HydrophobicContact CG-CG2 3.6Å; F108-F150 HydrophobicContact CE1-CD2 4.38Å; F108-F150 HydrophobicContact CE2-CB 3.59Å; F108-F150 HydrophobicContact CE2-CD2 4.29Å; F108-F150 HydrophobicContact CE2-CG 4.4Å; F108-F150 HydrophobicContact CZ-CB 3.87Å; F108-F150 AromaticContact CZ-CD2 3.79Å; F108-F150 HydrophobicContact CZ-CD2 3.79Å; F108-F150 HydrophobicContact CZ-CG 4.21Å; F108-I154 HydrophobicContact CE2-CD1 4.35Å; F108-L227 HydrophobicContact CD1-CD2 4.44Å; F108-L227 HydrophobicContact CE1-CD2 3.9Å
109F87.5Confident91Very high3 Ų322 Ų221%0.01312%0.118CC..Hα-helixtrans-68.5-16.6174.4-73.7-71.7000114.1V57 I63 V68 L75 K105 L106 G111 L227V57-F109 HydrophobicContact CB-CZ 4.45Å; V57-F109 HydrophobicContact CG1-CE2 4.41Å; V57-F109 HydrophobicContact CG1-CZ 3.99Å; V57-F109 HydrophobicContact CG2-CD2 3.92Å; V57-F109 HydrophobicContact CG2-CE1 4.39Å; V57-F109 HydrophobicContact CG2-CE2 3.38Å; V57-F109 HydrophobicContact CG2-CZ 3.65Å; I63-F109 HydrophobicContact CG2-CD1 4.14Å; I63-F109 HydrophobicContact CG2-CE1 4.49Å; V68-F109 WeakPolarHBondContact CG1-O 3.25Å; L75-F109 HydrophobicContact CD1-CB 3.75Å; K105-F109 HydrophobicContact CG-CD2 4.12Å; K105-F109 HydrophobicContact CG-CE2 3.86Å; K105-F109 VanDerWaalsContact O-CD2 3.23Å; K105-F109 WeakPolarHBondContact O-CD2 3.49Å; K105-F109 PolarHBondContact O-N 3.25Å; K105-F109 VanDerWaalsContact O-N 3.17Å; L106-F109 PolarHBondContact O-N 3.22Å; F109-G111 VanDerWaalsContact C-N 3.33Å; F109-L227 HydrophobicContact CE2-CD1 4.24Å; F109-L227 HydrophobicContact CZ-CD1 4.29Å; F109-L227 HydrophobicContact CZ-CD2 4.1Å; F109-L227 HydrophobicContact CZ-CG 4.31Å
110C87.5Confident91Very high9 Ų922.2 Ų22.26%0.06112%0.119CC..THydrogen-bonded Turntrans-83.5-5.5168.8-67.30000113.4L106 Y107 F108 K112L106-C110 PolarHBondContact O-N 3.18Å; L106-C110 PolarHBondContact O-SG 3.03Å; Y107-C110 CarbonylContact O-C 3.56Å; Y107-C110 WeakPolarHBondContact O-CB 2.86Å; Y107-C110 PolarHBondContact O-N 3.28Å; Y107-C110 VanDerWaalsContact O-N 3.17Å; F108-C110 PolarHBondContact O-N 3.06Å; C110-K112 VanDerWaalsContact C-N 3.27Å; C110-K112 HydrophobicContact CB-CG 4.24Å; C110-K112 PolarHBondContact O-N 3.12Å
111G85.3Confident90.9Very high26 Ų2626.8 Ų26.827%0.26815%0.148SC..THydrogen-bonded Turntrans72.813.9-172.200000114.6Y107 F108 F109 Y113Y107-G111 PolarHBondContact O-N 3.48Å; F108-G111 PolarHBondContact O-N 3.43Å; F109-G111 VanDerWaalsContact C-N 3.33Å; G111-Y113 PolarHBondContact O-N 3.14Å
112K88.7Confident90.7Very high63 Ų6333.2 Ų33.227%0.27418%0.175SC..  trans-9670.6-179.8-63.9-172.6-178.4-177.90110.6E72 Y107 C110 D114 D115 A116E72-K112 IonicContact OE1-NZ 2.73Å; E72-K112 PolarHBondContact OE1-NZ 2.86Å; E72-K112 WeakPolarHBondContact OE2-CE 3.41Å; E72-K112 IonicContact OE2-NZ 2.66Å; E72-K112 PolarHBondContact OE2-NZ 3.09Å; Y107-K112 HydrophobicContact CD1-CB 4.09Å; Y107-K112 HydrophobicContact CD1-CD 4.19Å; Y107-K112 HydrophobicContact CE1-CD 4.45Å; Y107-K112 PolarHBondContact O-N 3.15Å; C110-K112 VanDerWaalsContact C-N 3.27Å; C110-K112 HydrophobicContact CB-CG 4.24Å; C110-K112 PolarHBondContact O-N 3.12Å; K112-D114 VanDerWaalsContact C-N 3.35Å; K112-D114 PolarHBondContact O-N 2.7Å; K112-D115 HydrophobicContact CB-CB 4.08Å; K112-D115 WeakPolarHBondContact CD-OD2 3.45Å; K112-D115 PolarHBondContact O-N 2.66Å; K112-A116 PolarHBondContact O-N 3.23Å
113Y89.8Confident90.4Very high45 Ų4533.6 Ų33.618%0.17618%0.178CC..Hα-helixtrans-63.9-35.2-172.2-49.8-57.9000113.9F108 G111 A116 L117 I154 M155F108-Y113 AromaticContact CD2-CD1 4Å; F108-Y113 HydrophobicContact CD2-CD1 4Å; F108-Y113 AromaticContact CD2-CE1 3.95Å; F108-Y113 HydrophobicContact CD2-CE1 3.95Å; F108-Y113 HydrophobicContact CE2-CD1 4.45Å; F108-Y113 HydrophobicContact CE2-CE1 4.11Å; G111-Y113 PolarHBondContact O-N 3.14Å; Y113-A116 WeakPolarHBondContact O-CB 2.98Å; Y113-A116 PolarHBondContact O-N 2.89Å; Y113-L117 WeakPolarHBondContact O-CG 3.47Å; Y113-L117 PolarHBondContact O-N 3.35Å; Y113-I154 HydrophobicContact CD2-CG2 4.05Å; Y113-I154 HydrophobicContact CE1-CD1 3.93Å; Y113-I154 HydrophobicContact CE2-CG2 3.63Å; Y113-M155 VanDerWaalsContact CB-SD 3.59Å; Y113-M155 HydrophobicContact CD2-CG 4.5Å
114D90.7Very high90Very high100 Ų10039.4 Ų39.454%0.53520%0.203SC..Hα-helixtrans-66-47177.3-163.667.4000111K112 A116 L117 T118 M155K112-D114 VanDerWaalsContact C-N 3.35Å; K112-D114 PolarHBondContact O-N 2.7Å; D114-A116 VanDerWaalsContact C-N 3.27Å; D114-A116 PolarHBondContact O-N 3.33Å; D114-L117 PolarHBondContact O-N 3.03Å; D114-L117 VanDerWaalsContact O-N 3.07Å; D114-T118 WeakPolarHBondContact O-CG2 2.97Å; D114-T118 PolarHBondContact O-N 3.41Å; D114-M155 HydrophobicContact CB-CE 4.34Å
115D91.2Very high89.7Confident62 Ų6239.4 Ų39.433%0.33220%0.203SC..Hα-helixtrans-58.7-40.3175.1-67.5-31.5000111.3Y107 K112 L117 T118 C119Y107-D115 HydrophobicContact CD1-CB 3.91Å; Y107-D115 HydrophobicContact CD2-CB 3.77Å; Y107-D115 HydrophobicContact CE1-CB 4.2Å; Y107-D115 HydrophobicContact CE2-CB 4.04Å; Y107-D115 HydrophobicContact CG-CB 3.72Å; K112-D115 HydrophobicContact CB-CB 4.08Å; K112-D115 WeakPolarHBondContact CD-OD2 3.45Å; K112-D115 PolarHBondContact O-N 2.66Å; D115-L117 PolarHBondContact O-N 3.27Å; D115-T118 PolarHBondContact O-N 3.44Å; D115-T118 PolarHBondContact O-OG1 3.33Å; D115-C119 PolarHBondContact O-N 3.12Å; D115-C119 PolarHBondContact O-SG 3.11Å
116A91.8Very high89.2Confident0 Ų044.9 Ų44.90%023%0.233CC..Hα-helixtrans-60.6-44.6174.600000112.2S104 K112 Y113 D114 C119 F120S104-A116 WeakPolarHBondContact CB-O 3.29Å; S104-A116 WeakPolarHBondContact O-CB 3.37Å; K112-A116 PolarHBondContact O-N 3.23Å; Y113-A116 WeakPolarHBondContact O-CB 2.98Å; Y113-A116 PolarHBondContact O-N 2.89Å; D114-A116 VanDerWaalsContact C-N 3.27Å; D114-A116 PolarHBondContact O-N 3.33Å; A116-C119 WeakPolarHBondContact O-CB 3.35Å; A116-C119 PolarHBondContact O-N 3.44Å; A116-F120 VanDerWaalsContact O-CD2 3.23Å; A116-F120 WeakPolarHBondContact O-CD2 3.25Å; A116-F120 PolarHBondContact O-N 3.25Å; A116-F120 VanDerWaalsContact O-N 3.15Å
117L91.7Very high88.6Confident33 Ų3351.6 Ų51.617%0.17326%0.264CS..Hα-helixtrans-65.6-36.8176.9-69175.6000112.9Y113 D114 D115 C119 F120 T121 K148 C151 L152 M155Y113-L117 WeakPolarHBondContact O-CG 3.47Å; Y113-L117 PolarHBondContact O-N 3.35Å; D114-L117 PolarHBondContact O-N 3.03Å; D114-L117 VanDerWaalsContact O-N 3.07Å; D115-L117 PolarHBondContact O-N 3.27Å; L117-C119 VanDerWaalsContact C-N 3.31Å; L117-C119 PolarHBondContact O-N 3.12Å; L117-F120 HydrophobicContact CD2-CD2 4.27Å; L117-F120 PolarHBondContact O-N 2.91Å; L117-T121 PolarHBondContact O-N 3.26Å; L117-T121 PolarHBondContact O-OG1 3.07Å; L117-T121 VanDerWaalsContact O-OG1 3.08Å; L117-K148 HydrophobicContact CD2-CG 4.16Å; L117-C151 HydrophobicContact CD1-CB 4.46Å; L117-C151 HydrophobicContact CD2-CB 4.05Å; L117-C151 HydrophobicContact CG-CB 4.13Å; L117-L152 HydrophobicContact CD1-CD2 4.28Å; L117-L152 HydrophobicContact CD2-CD2 4.36Å; L117-L152 HydrophobicContact CD2-CG 4.35Å; L117-M155 HydrophobicContact CD1-CE 4.48Å; L117-M155 HydrophobicContact CD1-SD 3.68Å
118T92.8Very high87.7Confident55 Ų5551.9 Ų51.934%0.33727%0.267SS..Hα-helixtrans-64.2-3817468.90000111.6D114 D115 T121 K122D114-T118 WeakPolarHBondContact O-CG2 2.97Å; D114-T118 PolarHBondContact O-N 3.41Å; D115-T118 PolarHBondContact O-N 3.44Å; D115-T118 PolarHBondContact O-OG1 3.33Å; T118-T121 WeakPolarHBondContact O-CB 3.16Å; T118-T121 PolarHBondContact O-N 3.29Å; T118-K122 WeakPolarHBondContact O-CG 3.32Å; T118-K122 PolarHBondContact O-N 3.29Å
119C91.2Very high86.5Confident2 Ų259.4 Ų59.41%0.01431%0.308CS..Hα-helixtrans-64.8-39.5176.9-66.80000112D115 A116 L117 T121 K122 A123D115-C119 PolarHBondContact O-N 3.12Å; D115-C119 PolarHBondContact O-SG 3.11Å; A116-C119 WeakPolarHBondContact O-CB 3.35Å; A116-C119 PolarHBondContact O-N 3.44Å; L117-C119 VanDerWaalsContact C-N 3.31Å; L117-C119 PolarHBondContact O-N 3.12Å; C119-T121 VanDerWaalsContact C-N 3.27Å; C119-T121 PolarHBondContact O-N 3.43Å; C119-K122 PolarHBondContact O-N 3.4Å; C119-A123 WeakPolarHBondContact O-CB 3.17Å; C119-A123 PolarHBondContact O-N 3.14Å
120F91.8Very high85.3Confident4 Ų463 Ų632%0.01833%0.33CS..Hα-helixtrans-63.1-34.1173-66.8-51.4000113.2L101 S104 A116 L117 A123 K124 L125 A144 I147 K148L101-F120 HydrophobicContact CD2-CD1 3.98Å; L101-F120 HydrophobicContact CD2-CE1 4.2Å; S104-F120 WeakPolarHBondContact OG-CE1 3.41Å; S104-F120 WeakPolarHBondContact OG-CZ 3.4Å; A116-F120 VanDerWaalsContact O-CD2 3.23Å; A116-F120 WeakPolarHBondContact O-CD2 3.25Å; A116-F120 PolarHBondContact O-N 3.25Å; A116-F120 VanDerWaalsContact O-N 3.15Å; L117-F120 HydrophobicContact CD2-CD2 4.27Å; L117-F120 PolarHBondContact O-N 2.91Å; F120-A123 PolarHBondContact O-N 3.37Å; F120-K124 PolarHBondContact O-N 3.43Å; F120-K124 VanDerWaalsContact O-N 3.16Å; F120-L125 HydrophobicContact CB-CB 4.35Å; F120-L125 HydrophobicContact CB-CD2 4.46Å; F120-L125 HydrophobicContact CD1-CD2 3.9Å; F120-L125 HydrophobicContact CE1-CD2 4.42Å; F120-L125 HydrophobicContact CG-CD2 4.26Å; F120-L125 PolarHBondContact O-N 3.23Å; F120-L125 VanDerWaalsContact O-N 3.13Å; F120-A144 HydrophobicContact CD1-CB 4.48Å; F120-A144 HydrophobicContact CE1-CB 3.71Å; F120-A144 WeakPolarHBondContact CE1-O 3.21Å; F120-A144 WeakPolarHBondContact CZ-O 3.27Å; F120-I147 HydrophobicContact CE2-CG2 4.07Å; F120-I147 HydrophobicContact CZ-CB 4.03Å; F120-I147 HydrophobicContact CZ-CG2 3.85Å; F120-K148 HydrophobicContact CD2-CB 3.88Å; F120-K148 HydrophobicContact CD2-CD 4.5Å; F120-K148 HydrophobicContact CD2-CG 4.18Å; F120-K148 HydrophobicContact CE2-CB 3.69Å; F120-K148 HydrophobicContact CE2-CG 4.45Å; F120-K148 HydrophobicContact CZ-CB 4.19Å
121T90.3Very high84.3Confident110 Ų11071.2 Ų71.268%0.67537%0.367SS*.Hα-helixtrans-70.2-40.5176.9-55.30000110.8L117 T118 C119 K124L117-T121 PolarHBondContact O-N 3.26Å; L117-T121 PolarHBondContact O-OG1 3.07Å; L117-T121 VanDerWaalsContact O-OG1 3.08Å; T118-T121 WeakPolarHBondContact O-CB 3.16Å; T118-T121 PolarHBondContact O-N 3.29Å; C119-T121 VanDerWaalsContact C-N 3.27Å; C119-T121 PolarHBondContact O-N 3.43Å; T121-K124 PolarHBondContact O-N 3.3Å; T121-K124 VanDerWaalsContact O-N 3.15Å
122K88.8Confident83.9Confident141 Ų14173.2 Ų73.261%0.61337%0.367SS*.Hα-helixtrans-63.4-40.3172.6-70.6174.9-178.61750112.2T118 C119 K124T118-K122 WeakPolarHBondContact O-CG 3.32Å; T118-K122 PolarHBondContact O-N 3.29Å; C119-K122 PolarHBondContact O-N 3.4Å; K122-K124 PolarHBondContact O-N 2.88Å
123A87.3Confident83.2Confident8 Ų876.6 Ų76.67%0.06638%0.382CS..THydrogen-bonded Turntrans-69.2-11.5175.300000113.4N100 L101 C119 F120 L125N100-A123 HydrophobicContact CB-CB 3.78Å; L101-A123 HydrophobicContact CD2-CB 3.79Å; C119-A123 WeakPolarHBondContact O-CB 3.17Å; C119-A123 PolarHBondContact O-N 3.14Å; F120-A123 PolarHBondContact O-N 3.37Å; A123-L125 PolarHBondContact O-N 3.27Å
124K86.2Confident82.8Confident131 Ų13178.1 Ų78.157%0.5739%0.393SS*.THydrogen-bonded Turntrans50.344.2-171.3-61.3177.2172.1-173.70112.1F120 T121 K122 D126 Q127F120-K124 PolarHBondContact O-N 3.43Å; F120-K124 VanDerWaalsContact O-N 3.16Å; T121-K124 PolarHBondContact O-N 3.3Å; T121-K124 VanDerWaalsContact O-N 3.15Å; K122-K124 PolarHBondContact O-N 2.88Å; K124-D126 PolarHBondContact O-N 3.12Å; K124-D126 VanDerWaalsContact O-N 3.1Å; K124-Q127 HydrophobicContact CB-CB 4.36Å; K124-Q127 PolarHBondContact O-N 3.14Å
125L85.3Confident82.5Confident1 Ų176 Ų761%0.00538%0.381CS..G310 helixtrans-50.5-40.6-175.2-173.779.5000112.7L101 F120 A123 Q127 L128 A144 Y145 K148L101-L125 HydrophobicContact CD2-CD1 3.66Å; F120-L125 HydrophobicContact CB-CB 4.35Å; F120-L125 HydrophobicContact CB-CD2 4.46Å; F120-L125 HydrophobicContact CD1-CD2 3.9Å; F120-L125 HydrophobicContact CE1-CD2 4.42Å; F120-L125 HydrophobicContact CG-CD2 4.26Å; F120-L125 PolarHBondContact O-N 3.23Å; F120-L125 VanDerWaalsContact O-N 3.13Å; A123-L125 PolarHBondContact O-N 3.27Å; L125-Q127 PolarHBondContact O-N 3.45Å; L125-L128 HydrophobicContact CD1-CD1 3.61Å; L125-L128 HydrophobicContact CG-CD1 4.29Å; L125-L128 WeakPolarHBondContact O-CB 3.23Å; L125-L128 WeakPolarHBondContact O-CD1 3.47Å; L125-L128 VanDerWaalsContact O-CG 3.24Å; L125-L128 WeakPolarHBondContact O-CG 3.38Å; L125-L128 PolarHBondContact O-N 2.82Å; L125-A144 HydrophobicContact CD1-CB 3.86Å; L125-Y145 HydrophobicContact CD1-CD2 4.35Å; L125-Y145 HydrophobicContact CD1-CE2 4.08Å; L125-Y145 HydrophobicContact CD2-CD1 3.75Å; L125-Y145 HydrophobicContact CD2-CD2 4.29Å; L125-Y145 HydrophobicContact CD2-CE1 3.73Å; L125-Y145 HydrophobicContact CD2-CE2 4.27Å; L125-Y145 HydrophobicContact CD2-CG 4.04Å; L125-Y145 HydrophobicContact CG-CD1 4.4Å; L125-Y145 HydrophobicContact CG-CD2 4.4Å; L125-Y145 HydrophobicContact CG-CE1 3.97Å; L125-Y145 HydrophobicContact CG-CE2 3.97Å; L125-Y145 PolarHBondContact O-OH 2.87Å; L125-K148 HydrophobicContact CD2-CD 3.75Å
126D81.8Confident82.3Confident117 Ų11774.1 Ų74.163%0.62637%0.37SS*.G310 helixtrans-71.4-9.4-177.9-62.9-38000114.3K124 K148K124-D126 PolarHBondContact O-N 3.12Å; K124-D126 VanDerWaalsContact O-N 3.1Å; D126-K148 IonicContact OD1-NZ 3.31Å; D126-K148 PolarHBondContact OD1-NZ 3.11Å; D126-K148 IonicContact OD2-NZ 2.82Å; D126-K148 PolarHBondContact OD2-NZ 3.39Å
127Q80.6Confident82.1Confident140 Ų14075.2 Ų75.265%0.65438%0.379SS*.G310 helixtrans-107.414.7179.7-60.8178.3-6.900112.3K124 L125 D129K124-Q127 HydrophobicContact CB-CB 4.36Å; K124-Q127 PolarHBondContact O-N 3.14Å; L125-Q127 PolarHBondContact O-N 3.45Å; Q127-D129 PolarHBondContact O-N 2.9Å
128L72.2Confident82Confident32 Ų3274.4 Ų74.417%0.16837%0.374CS..  trans-76.392.6179-66.2176.2000110.9L97 L125 V130L97-L128 HydrophobicContact CD1-CD2 3.43Å; L97-L128 VanDerWaalsContact CD1-CD2 3.43Å; L97-L128 HydrophobicContact CD2-CD2 4.48Å; L97-L128 HydrophobicContact CG-CD2 4.26Å; L125-L128 HydrophobicContact CD1-CD1 3.61Å; L125-L128 HydrophobicContact CG-CD1 4.29Å; L125-L128 WeakPolarHBondContact O-CB 3.23Å; L125-L128 WeakPolarHBondContact O-CD1 3.47Å; L125-L128 VanDerWaalsContact O-CG 3.24Å; L125-L128 WeakPolarHBondContact O-CG 3.38Å; L125-L128 PolarHBondContact O-N 2.82Å; L128-V130 HydrophobicContact CD2-CG2 4.42Å
129D64.9Low81.9Confident166 Ų16674.4 Ų74.489%0.88837%0.368SS*.  trans-88.319.7167.4-85.9-18.8000112.4Q127Q127-D129 PolarHBondContact O-N 2.9Å
130V61.2Low81.8Confident79 Ų7974.8 Ų74.848%0.47937%0.37SS..  trans-84.8124.1-167-175.70000111L128 Y132L128-V130 HydrophobicContact CD2-CG2 4.42Å; V130-Y132 PolarHBondContact O-N 3.32Å
131E67.1Low81.8Confident180 Ų18074.8 Ų74.884%0.84137%0.371SS*.  trans-58.3115.3159.7-70.3-178.9170.800108.7K133E131-K133 PolarHBondContact O-N 3.3Å; E131-K133 VanDerWaalsContact O-N 3.16Å
132Y76.6Confident81.9Confident69 Ų6969.5 Ų69.527%0.27134%0.339SS..  trans-66.1116.3-178.7-57-76.8000109.8V130 D134 L138 A141 L183V130-Y132 PolarHBondContact O-N 3.32Å; Y132-D134 VanDerWaalsContact C-N 3.34Å; Y132-D134 PolarHBondContact O-N 3.19Å; Y132-L138 HydrophobicContact CD2-CB 4.5Å; Y132-L138 HydrophobicContact CD2-CD1 3.44Å; Y132-L138 VanDerWaalsContact CD2-CD1 3.44Å; Y132-L138 HydrophobicContact CE2-CD1 3.76Å; Y132-L138 HydrophobicContact CG-CB 4.09Å; Y132-L138 HydrophobicContact CG-CD1 3.88Å; Y132-A141 HydrophobicContact CD1-CB 4.11Å; Y132-A141 HydrophobicContact CE1-CB 3.28Å; Y132-L183 HydrophobicContact CD2-CD2 4.49Å; Y132-L183 HydrophobicContact CE2-CD2 3.46Å; Y132-L183 VanDerWaalsContact CE2-CD2 3.46Å; Y132-L183 WeakPolarHBondContact OH-CD2 3.48Å
133K73.9Confident82.1Confident133 Ų13363 Ų6358%0.57831%0.311SS*.SBendtrans-62.4-39-173.9-63.6-179-175.2174.90113E94 E131E94-K133 IonicContact OE1-NZ 3.15Å; E94-K133 PolarHBondContact OE1-NZ 3.49Å; E94-K133 IonicContact OE2-NZ 3.03Å; E94-K133 PolarHBondContact OE2-NZ 2.91Å; E131-K133 PolarHBondContact O-N 3.3Å; E131-K133 VanDerWaalsContact O-N 3.16Å
134D81.8Confident82.4Confident78 Ų7862.8 Ų62.842%0.41731%0.308SS..SBendtrans-142.3161.5-174.8-59.8-54.8000111.5Y132 R136 A137 L138Y132-D134 VanDerWaalsContact C-N 3.34Å; Y132-D134 PolarHBondContact O-N 3.19Å; D134-R136 PolarHBondContact O-N 3.42Å; D134-R136 VanDerWaalsContact O-N 3.16Å; D134-A137 PolarHBondContact O-N 3.49Å; D134-L138 PolarHBondContact O-N 2.98Å
135L83.8Confident82.7Confident55 Ų5557.2 Ų57.229%0.28828%0.284SS..Hα-helixtrans-51.8-36.7176.8-76.9172.8000113.4L138 R139 Y187 E190 A194L135-L138 PolarHBondContact O-N 3.37Å; L135-R139 WeakPolarHBondContact O-CB 3.08Å; L135-R139 PolarHBondContact O-N 3.16Å; L135-Y187 HydrophobicContact CB-CE2 4.38Å; L135-Y187 HydrophobicContact CD2-CD2 4.23Å; L135-Y187 HydrophobicContact CD2-CE2 4.38Å; L135-E190 HydrophobicContact CD2-CB 3.41Å; L135-E190 VanDerWaalsContact CD2-CB 3.41Å; L135-A194 HydrophobicContact CD1-CB 4.46Å
136R88Confident83.1Confident23 Ų2357.2 Ų57.29%0.08728%0.284CS..Hα-helixtrans-63.4-45.9177.2179.1-174.2154.2-81.4-21.1112R17 I18 E50 E98 D134 L138 R139 L140R17-R136 VanDerWaalsContact NH2-NH1 3.15Å; I18-R136 HydrophobicContact CG1-CB 4.42Å; E50-R136 IonicContact OE1-CZ 3.86Å; E50-R136 IonicContact OE1-NE 3.34Å; E50-R136 PolarHBondContact OE1-NE 3.19Å; E50-R136 IonicContact OE1-NH2 3.88Å; E50-R136 PolarHBondContact OE1-NH2 3.2Å; E50-R136 IonicContact OE2-CZ 3.07Å; E50-R136 IonicContact OE2-NE 3.6Å; E50-R136 IonicContact OE2-NH2 3.28Å; E98-R136 IonicContact OE1-NH1 3.98Å; E98-R136 PolarHBondContact OE1-NH1 3.44Å; E98-R136 IonicContact OE2-CZ 2.74Å; E98-R136 VanDerWaalsContact OE2-CZ 3.3Å; E98-R136 IonicContact OE2-NH1 3.12Å; E98-R136 PolarHBondContact OE2-NH1 3.47Å; E98-R136 IonicContact OE2-NH2 2.8Å; E98-R136 PolarHBondContact OE2-NH2 2.85Å; D134-R136 PolarHBondContact O-N 3.42Å; D134-R136 VanDerWaalsContact O-N 3.16Å; R136-L138 VanDerWaalsContact C-N 3.3Å; R136-L138 PolarHBondContact O-N 3.42Å; R136-R139 PolarHBondContact O-N 2.83Å; R136-L140 WeakPolarHBondContact O-CB 3.39Å; R136-L140 PolarHBondContact O-N 3.43Å
137A87.3Confident83.6Confident23 Ų2351.7 Ų51.719%0.1925%0.254CS..Hα-helixtrans-65-38.7-179.700000111D134 L140 A141D134-A137 PolarHBondContact O-N 3.49Å; A137-L140 PolarHBondContact O-N 3.01Å; A137-A141 WeakPolarHBondContact O-CB 3.19Å; A137-A141 PolarHBondContact O-N 3.43Å
138L89.1Confident84.2Confident15 Ų1546.2 Ų46.28%0.07923%0.228CC..Hα-helixtrans-63.1-46.1174.2-17961.1000111.7Y132 D134 L135 R136 A141 A142 L183 Y187 E190Y132-L138 HydrophobicContact CD2-CB 4.5Å; Y132-L138 HydrophobicContact CD2-CD1 3.44Å; Y132-L138 VanDerWaalsContact CD2-CD1 3.44Å; Y132-L138 HydrophobicContact CE2-CD1 3.76Å; Y132-L138 HydrophobicContact CG-CB 4.09Å; Y132-L138 HydrophobicContact CG-CD1 3.88Å; D134-L138 PolarHBondContact O-N 2.98Å; L135-L138 PolarHBondContact O-N 3.37Å; R136-L138 VanDerWaalsContact C-N 3.3Å; R136-L138 PolarHBondContact O-N 3.42Å; L138-A141 PolarHBondContact O-N 3.28Å; L138-A142 WeakPolarHBondContact O-CB 3.48Å; L138-A142 PolarHBondContact O-N 3.26Å; L138-L183 HydrophobicContact CD1-CD2 3.94Å; L138-Y187 HydrophobicContact CD2-CD2 4.5Å; L138-E190 HydrophobicContact CD2-CG 4.48Å
139R90.1Very high85.1Confident55 Ų5544.7 Ų44.721%0.20822%0.22CC..Hα-helixtrans-60.1-48.7174.7-178.8178.7168.5175.3-5.1112.3L135 R136 A141 A142 E143 Y187 N223 L228L135-R139 WeakPolarHBondContact O-CB 3.08Å; L135-R139 PolarHBondContact O-N 3.16Å; R136-R139 PolarHBondContact O-N 2.83Å; R139-A141 VanDerWaalsContact C-N 3.29Å; R139-A141 PolarHBondContact O-N 2.66Å; R139-A142 WeakPolarHBondContact O-CB 3.5Å; R139-A142 PolarHBondContact O-N 3.17Å; R139-E143 HydrophobicContact CG-CG 4.4Å; R139-E143 IonicContact CZ-OE1 3.45Å; R139-E143 IonicContact NE-OE1 2.8Å; R139-E143 PolarHBondContact NE-OE1 3.13Å; R139-E143 IonicContact NH2-OE1 3.88Å; R139-E143 PolarHBondContact NH2-OE1 3.39Å; R139-E143 WeakPolarHBondContact O-CG 3.48Å; R139-E143 PolarHBondContact O-N 3.18Å; R139-Y187 HydrophobicContact CB-CD2 3.92Å; R139-Y187 HydrophobicContact CB-CE2 3.68Å; R139-Y187 HydrophobicContact CG-CE2 4.31Å; R139-N223 PolarHBondContact NH1-O 3.41Å; R139-L228 HydrophobicContact CG-CD1 4.23Å
140L90.6Very high86.4Confident10 Ų1037.1 Ų37.15%0.05218%0.179CC..Hα-helixtrans-61-39.4-179.4-179.462.2000111.5E98 L101 L102 R136 A137 A144E98-L140 HydrophobicContact CB-CD2 4.12Å; E98-L140 HydrophobicContact CG-CD2 4.02Å; L101-L140 HydrophobicContact CB-CD1 4.28Å; L101-L140 HydrophobicContact CB-CD2 4.35Å; L101-L140 HydrophobicContact CB-CG 4.23Å; L101-L140 HydrophobicContact CD1-CD2 4.33Å; L101-L140 HydrophobicContact CD1-CG 4.16Å; L102-L140 HydrophobicContact CD2-CD1 3.7Å; L102-L140 HydrophobicContact CG-CD1 4.27Å; R136-L140 WeakPolarHBondContact O-CB 3.39Å; R136-L140 PolarHBondContact O-N 3.43Å; A137-L140 PolarHBondContact O-N 3.01Å; L140-A144 VanDerWaalsContact O-CB 3.26Å; L140-A144 WeakPolarHBondContact O-CB 3.48Å; L140-A144 PolarHBondContact O-N 2.92Å
141A90.8Very high87.8Confident4 Ų433.3 Ų33.33%0.03316%0.157CC..Hα-helixtrans-67.2-42.917500000112.3Y132 A137 L138 R139 E143 A144 Y145 L183Y132-A141 HydrophobicContact CD1-CB 4.11Å; Y132-A141 HydrophobicContact CE1-CB 3.28Å; A137-A141 WeakPolarHBondContact O-CB 3.19Å; A137-A141 PolarHBondContact O-N 3.43Å; L138-A141 PolarHBondContact O-N 3.28Å; R139-A141 VanDerWaalsContact C-N 3.29Å; R139-A141 PolarHBondContact O-N 2.66Å; A141-E143 PolarHBondContact O-N 3.26Å; A141-A144 WeakPolarHBondContact O-CB 3.01Å; A141-A144 PolarHBondContact O-N 2.87Å; A141-Y145 WeakPolarHBondContact O-CD2 3.27Å; A141-Y145 PolarHBondContact O-N 3.29Å; A141-Y145 VanDerWaalsContact O-N 3.08Å; A141-L183 HydrophobicContact CB-CD1 4.27Å
142A91.9Very high88.8Confident0 Ų026.7 Ų26.70%013%0.127CC..Hα-helixtrans-58.6-48.1174.700000111.3L138 R139 A144 Y145 A146 S180 L183 L228L138-A142 WeakPolarHBondContact O-CB 3.48Å; L138-A142 PolarHBondContact O-N 3.26Å; R139-A142 WeakPolarHBondContact O-CB 3.5Å; R139-A142 PolarHBondContact O-N 3.17Å; A142-A144 PolarHBondContact O-N 2.83Å; A142-Y145 PolarHBondContact O-N 3.4Å; A142-A146 PolarHBondContact O-N 3.24Å; A142-S180 PolarHBondContact O-OG 3.49Å; A142-L183 HydrophobicContact CB-CB 3.78Å; A142-L228 HydrophobicContact CB-CD1 4.33Å; A142-L228 HydrophobicContact CB-CD2 3.92Å
143E93.2Very high89.3Confident5 Ų525.3 Ų25.32%0.02312%0.122CC..Hα-helixtrans-63.1-39.7176.9-72.1-178-176.400111.8K105 R139 A141 Y145 A146 I147 L227 L228K105-E143 WeakPolarHBondContact CE-OE2 3.41Å; K105-E143 IonicContact NZ-OE1 3.68Å; K105-E143 IonicContact NZ-OE2 3.02Å; K105-E143 PolarHBondContact NZ-OE2 2.69Å; R139-E143 HydrophobicContact CG-CG 4.4Å; R139-E143 IonicContact CZ-OE1 3.45Å; R139-E143 IonicContact NE-OE1 2.8Å; R139-E143 PolarHBondContact NE-OE1 3.13Å; R139-E143 IonicContact NH2-OE1 3.88Å; R139-E143 PolarHBondContact NH2-OE1 3.39Å; R139-E143 WeakPolarHBondContact O-CG 3.48Å; R139-E143 PolarHBondContact O-N 3.18Å; A141-E143 PolarHBondContact O-N 3.26Å; E143-Y145 PolarHBondContact O-N 3.36Å; E143-A146 WeakPolarHBondContact O-CB 3.32Å; E143-A146 PolarHBondContact O-N 3.31Å; E143-I147 WeakPolarHBondContact O-CB 3.45Å; E143-I147 VanDerWaalsContact O-CG1 3.24Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 2.97Å; E143-L227 HydrophobicContact CB-CD1 4.42Å; E143-L227 HydrophobicContact CG-CB 4.38Å; E143-L227 HydrophobicContact CG-CD1 4.32Å; E143-L228 HydrophobicContact CB-CD2 4.4Å; E143-L228 HydrophobicContact CG-CD1 4.33Å; E143-L228 HydrophobicContact CG-CD2 3.7Å; E143-L228 HydrophobicContact CG-CG 3.89Å
144A93.3Very high89.9Confident2 Ų223.3 Ų23.32%0.01712%0.117CC..Hα-helixtrans-60-47.4176.800000112.2L101 F120 L125 L140 A141 A142 A146 K148L101-A144 HydrophobicContact CD1-CB 4.25Å; L101-A144 HydrophobicContact CD2-CB 3.91Å; L101-A144 HydrophobicContact CG-CB 4.44Å; F120-A144 HydrophobicContact CD1-CB 4.48Å; F120-A144 HydrophobicContact CE1-CB 3.71Å; F120-A144 WeakPolarHBondContact CE1-O 3.21Å; F120-A144 WeakPolarHBondContact CZ-O 3.27Å; L125-A144 HydrophobicContact CD1-CB 3.86Å; L140-A144 VanDerWaalsContact O-CB 3.26Å; L140-A144 WeakPolarHBondContact O-CB 3.48Å; L140-A144 PolarHBondContact O-N 2.92Å; A141-A144 WeakPolarHBondContact O-CB 3.01Å; A141-A144 PolarHBondContact O-N 2.87Å; A142-A144 PolarHBondContact O-N 2.83Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A144-K148 WeakPolarHBondContact O-CB 3.46Å; A144-K148 PolarHBondContact O-N 2.96Å
145Y94.2Very high90Very high15 Ų1523.7 Ų23.76%0.05912%0.118CC..Hα-helixtrans-66.6-34.2174.6-80.4-76000112.3L125 A141 A142 E143 K148 G149 K179 L183L125-Y145 HydrophobicContact CD1-CD2 4.35Å; L125-Y145 HydrophobicContact CD1-CE2 4.08Å; L125-Y145 HydrophobicContact CD2-CD1 3.75Å; L125-Y145 HydrophobicContact CD2-CD2 4.29Å; L125-Y145 HydrophobicContact CD2-CE1 3.73Å; L125-Y145 HydrophobicContact CD2-CE2 4.27Å; L125-Y145 HydrophobicContact CD2-CG 4.04Å; L125-Y145 HydrophobicContact CG-CD1 4.4Å; L125-Y145 HydrophobicContact CG-CD2 4.4Å; L125-Y145 HydrophobicContact CG-CE1 3.97Å; L125-Y145 HydrophobicContact CG-CE2 3.97Å; L125-Y145 PolarHBondContact O-OH 2.87Å; A141-Y145 WeakPolarHBondContact O-CD2 3.27Å; A141-Y145 PolarHBondContact O-N 3.29Å; A141-Y145 VanDerWaalsContact O-N 3.08Å; A142-Y145 PolarHBondContact O-N 3.4Å; E143-Y145 PolarHBondContact O-N 3.36Å; Y145-K148 PolarHBondContact O-N 3.34Å; Y145-G149 PolarHBondContact O-N 2.82Å; Y145-K179 HydrophobicContact CD1-CB 4.1Å; Y145-K179 HydrophobicContact CD1-CG 4.17Å; Y145-K179 HydrophobicContact CD2-CG 4.03Å; Y145-K179 HydrophobicContact CE1-CB 4.23Å; Y145-K179 HydrophobicContact CE1-CG 3.97Å; Y145-K179 HydrophobicContact CE2-CG 3.82Å; Y145-K179 HydrophobicContact CG-CB 4.3Å; Y145-K179 HydrophobicContact CG-CG 4.2Å; Y145-L183 HydrophobicContact CD2-CD1 3.65Å; Y145-L183 HydrophobicContact CE2-CD1 3.97Å
146A92.6Very high89.8Confident0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-61.5-51.1176.200000111A142 E143 A144 K148 G149 F150 S180 L231A142-A146 PolarHBondContact O-N 3.24Å; E143-A146 WeakPolarHBondContact O-CB 3.32Å; E143-A146 PolarHBondContact O-N 3.31Å; A144-A146 VanDerWaalsContact C-N 3.32Å; A146-K148 PolarHBondContact O-N 3.32Å; A146-G149 CarbonylContact O-C 3.57Å; A146-G149 WeakPolarHBondContact O-CA 3.41Å; A146-G149 PolarHBondContact O-N 2.95Å; A146-G149 VanDerWaalsContact O-N 3.09Å; A146-F150 HydrophobicContact CB-CE2 4.11Å; A146-F150 HydrophobicContact CB-CZ 4.44Å; A146-F150 WeakPolarHBondContact O-CD2 3.49Å; A146-F150 WeakPolarHBondContact O-CG 3.31Å; A146-F150 PolarHBondContact O-N 3Å; A146-S180 WeakPolarHBondContact CA-OG 3.12Å; A146-S180 VanDerWaalsContact CB-OG 3.32Å; A146-S180 WeakPolarHBondContact CB-OG 3.44Å; A146-S180 PolarHBondContact N-OG 3.27Å; A146-S180 VanDerWaalsContact N-OG 3.07Å; A146-L231 HydrophobicContact CB-CB 4.21Å; A146-L231 HydrophobicContact CB-CD1 3.82Å; A146-L231 HydrophobicContact CB-CD2 4.13Å; A146-L231 HydrophobicContact CB-CG 4.26Å
147I93.1Very high88.9Confident1 Ų125.5 Ų25.51%0.00513%0.13CC..Hα-helixtrans-62.6-42.5178.5-67.3172.8000111K105 F108 F120 E143 G149 F150 C151 L227K105-I147 HydrophobicContact CB-CD1 3.59Å; K105-I147 HydrophobicContact CD-CD1 4.25Å; K105-I147 HydrophobicContact CG-CD1 3.63Å; F108-I147 HydrophobicContact CB-CG2 3.51Å; F108-I147 HydrophobicContact CD1-CD1 4.49Å; F108-I147 HydrophobicContact CD1-CG1 4.23Å; F108-I147 HydrophobicContact CD1-CG2 4.27Å; F108-I147 HydrophobicContact CD2-CG2 3.82Å; F108-I147 HydrophobicContact CG-CG1 4.4Å; F108-I147 HydrophobicContact CG-CG2 3.6Å; F120-I147 HydrophobicContact CE2-CG2 4.07Å; F120-I147 HydrophobicContact CZ-CB 4.03Å; F120-I147 HydrophobicContact CZ-CG2 3.85Å; E143-I147 WeakPolarHBondContact O-CB 3.45Å; E143-I147 VanDerWaalsContact O-CG1 3.24Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 2.97Å; I147-G149 VanDerWaalsContact C-N 3.26Å; I147-G149 PolarHBondContact O-N 2.91Å; I147-F150 PolarHBondContact O-N 2.72Å; I147-C151 WeakPolarHBondContact O-CB 3.4Å; I147-C151 PolarHBondContact O-N 3.35Å; I147-C151 PolarHBondContact O-SG 2.71Å; I147-C151 VanDerWaalsContact O-SG 3.33Å; I147-L227 HydrophobicContact CD1-CD1 3.83Å; I147-L227 HydrophobicContact CG1-CD1 4.16Å; I147-L227 HydrophobicContact CG1-CD2 4.22Å
148K93.1Very high87.9Confident25 Ų2536.7 Ų36.711%0.10917%0.167CC..Hα-helixtrans-55.7-45.1172.8-178.4175178.1173.10110.8L117 F120 L125 D126 A144 Y145 A146 L152 A176L117-K148 HydrophobicContact CD2-CG 4.16Å; F120-K148 HydrophobicContact CD2-CB 3.88Å; F120-K148 HydrophobicContact CD2-CD 4.5Å; F120-K148 HydrophobicContact CD2-CG 4.18Å; F120-K148 HydrophobicContact CE2-CB 3.69Å; F120-K148 HydrophobicContact CE2-CG 4.45Å; F120-K148 HydrophobicContact CZ-CB 4.19Å; L125-K148 HydrophobicContact CD2-CD 3.75Å; D126-K148 IonicContact OD1-NZ 3.31Å; D126-K148 PolarHBondContact OD1-NZ 3.11Å; D126-K148 IonicContact OD2-NZ 2.82Å; D126-K148 PolarHBondContact OD2-NZ 3.39Å; A144-K148 WeakPolarHBondContact O-CB 3.46Å; A144-K148 PolarHBondContact O-N 2.96Å; Y145-K148 PolarHBondContact O-N 3.34Å; A146-K148 PolarHBondContact O-N 3.32Å; K148-L152 HydrophobicContact CG-CD1 4.21Å; K148-L152 WeakPolarHBondContact O-CB 3.4Å; K148-L152 WeakPolarHBondContact O-CG 2.94Å; K148-L152 PolarHBondContact O-N 2.92Å; K148-A176 HydrophobicContact CD-CB 4.46Å; K148-A176 HydrophobicContact CG-CB 4.31Å
149G91.2Very high87Confident0 Ų044.8 Ų44.80%020%0.202CC..Hα-helixtrans-61.5-48.9174.600000113Y145 A146 I147 C151 L152 E153 L173 Y177Y145-G149 PolarHBondContact O-N 2.82Å; A146-G149 CarbonylContact O-C 3.57Å; A146-G149 WeakPolarHBondContact O-CA 3.41Å; A146-G149 PolarHBondContact O-N 2.95Å; A146-G149 VanDerWaalsContact O-N 3.09Å; I147-G149 VanDerWaalsContact C-N 3.26Å; I147-G149 PolarHBondContact O-N 2.91Å; G149-C151 PolarHBondContact O-N 3.42Å; G149-L152 PolarHBondContact O-N 3.32Å; G149-L152 VanDerWaalsContact O-N 3.13Å; G149-E153 PolarHBondContact O-N 3.42Å; G149-L173 WeakPolarHBondContact O-CD1 3.29Å; G149-Y177 VanDerWaalsContact C-CE1 3.43Å; G149-Y177 PolarHBondContact O-OH 3.34Å
150F90.8Very high85.9Confident7 Ų744.8 Ų44.83%0.03120%0.204CC..Hα-helixtrans-58.8-46.3177.3-60.4-37.5000112.7F108 A146 I147 L152 E153 I154 Y177 L227 T230 L231F108-F150 HydrophobicContact CE1-CD2 4.38Å; F108-F150 HydrophobicContact CE2-CB 3.59Å; F108-F150 HydrophobicContact CE2-CD2 4.29Å; F108-F150 HydrophobicContact CE2-CG 4.4Å; F108-F150 HydrophobicContact CZ-CB 3.87Å; F108-F150 AromaticContact CZ-CD2 3.79Å; F108-F150 HydrophobicContact CZ-CD2 3.79Å; F108-F150 HydrophobicContact CZ-CG 4.21Å; A146-F150 HydrophobicContact CB-CE2 4.11Å; A146-F150 HydrophobicContact CB-CZ 4.44Å; A146-F150 WeakPolarHBondContact O-CD2 3.49Å; A146-F150 WeakPolarHBondContact O-CG 3.31Å; A146-F150 PolarHBondContact O-N 3Å; I147-F150 PolarHBondContact O-N 2.72Å; F150-L152 VanDerWaalsContact C-N 3.3Å; F150-L152 PolarHBondContact O-N 3.4Å; F150-E153 PolarHBondContact O-N 2.95Å; F150-I154 WeakPolarHBondContact O-CB 3.3Å; F150-I154 VanDerWaalsContact O-CG1 3.28Å; F150-I154 WeakPolarHBondContact O-CG1 3.23Å; F150-I154 PolarHBondContact O-N 3.5Å; F150-Y177 HydrophobicContact CD1-CE1 4.12Å; F150-Y177 HydrophobicContact CE1-CE1 4.35Å; F150-L227 HydrophobicContact CD2-CD2 4.49Å; F150-L227 HydrophobicContact CE2-CD2 4.1Å; F150-T230 HydrophobicContact CZ-CG2 4.22Å; F150-L231 HydrophobicContact CE1-CD1 4.43Å; F150-L231 HydrophobicContact CZ-CB 3.93Å; F150-L231 HydrophobicContact CZ-CD1 4.39Å
151C90.7Very high84.4Confident0 Ų049.8 Ų49.80%024%0.239CC..Hα-helixtrans-57-45.2174.3-710000111.3L117 I147 G149 M155L117-C151 HydrophobicContact CD1-CB 4.46Å; L117-C151 HydrophobicContact CD2-CB 4.05Å; L117-C151 HydrophobicContact CG-CB 4.13Å; I147-C151 WeakPolarHBondContact O-CB 3.4Å; I147-C151 PolarHBondContact O-N 3.35Å; I147-C151 PolarHBondContact O-SG 2.71Å; I147-C151 VanDerWaalsContact O-SG 3.33Å; G149-C151 PolarHBondContact O-N 3.42Å; C151-M155 VanDerWaalsContact O-CB 3.27Å; C151-M155 WeakPolarHBondContact O-CB 3.38Å; C151-M155 WeakPolarHBondContact O-CG 3.47Å; C151-M155 PolarHBondContact O-N 2.85Å
152L89.6Confident83.5Confident41 Ų4151.8 Ų51.822%0.21525%0.253CS..Hα-helixtrans-66.7-35.3179.8-72.1174.4000112.8L117 K148 G149 F150 Q156 K172 L173L117-L152 HydrophobicContact CD1-CD2 4.28Å; L117-L152 HydrophobicContact CD2-CD2 4.36Å; L117-L152 HydrophobicContact CD2-CG 4.35Å; K148-L152 HydrophobicContact CG-CD1 4.21Å; K148-L152 WeakPolarHBondContact O-CB 3.4Å; K148-L152 WeakPolarHBondContact O-CG 2.94Å; K148-L152 PolarHBondContact O-N 2.92Å; G149-L152 PolarHBondContact O-N 3.32Å; G149-L152 VanDerWaalsContact O-N 3.13Å; F150-L152 VanDerWaalsContact C-N 3.3Å; F150-L152 PolarHBondContact O-N 3.4Å; L152-Q156 WeakPolarHBondContact O-CG 3.37Å; L152-K172 HydrophobicContact CD1-CB 4.36Å; L152-L173 HydrophobicContact CB-CD1 3.86Å
153E86.6Confident82.5Confident39 Ų3960.6 Ų60.618%0.18229%0.291CS..Hα-helixtrans-69.7-48.2174.7-171.3173.717400111.4G149 F150 M155 Q156 L173 Y177 Q234 R241G149-E153 PolarHBondContact O-N 3.42Å; F150-E153 PolarHBondContact O-N 2.95Å; E153-M155 VanDerWaalsContact C-N 3.32Å; E153-M155 PolarHBondContact O-N 2.89Å; E153-Q156 WeakPolarHBondContact O-CB 3.49Å; E153-Q156 WeakPolarHBondContact O-CG 3.49Å; E153-Q156 PolarHBondContact O-N 3.41Å; E153-Q156 VanDerWaalsContact O-N 3.16Å; E153-L173 HydrophobicContact CB-CD1 4.13Å; E153-L173 HydrophobicContact CB-CD2 4.38Å; E153-Y177 WeakPolarHBondContact CB-OH 3.13Å; E153-Y177 PolarHBondContact OE2-OH 3.25Å; E153-Q234 PolarHBondContact OE2-NE2 3.49Å; E153-R241 IonicContact OE1-NH1 3.14Å; E153-R241 PolarHBondContact OE1-NH1 2.97Å
154I85.7Confident81.3Confident91 Ų9170.1 Ų70.147%0.46733%0.329SS..Hα-helixtrans-63.1-38.8-179.1-65.8166.6000111.4F108 Y113 F150 Q156F108-I154 HydrophobicContact CE2-CD1 4.35Å; Y113-I154 HydrophobicContact CD2-CG2 4.05Å; Y113-I154 HydrophobicContact CE1-CD1 3.93Å; Y113-I154 HydrophobicContact CE2-CG2 3.63Å; F150-I154 WeakPolarHBondContact O-CB 3.3Å; F150-I154 VanDerWaalsContact O-CG1 3.28Å; F150-I154 WeakPolarHBondContact O-CG1 3.23Å; F150-I154 PolarHBondContact O-N 3.5Å; I154-Q156 PolarHBondContact O-N 2.91Å
155M85.2Confident80.2Confident87 Ų8775.1 Ų75.143%0.42935%0.352SS..THydrogen-bonded Turntrans-79.30.6179.9-6617975.900113.7Y113 D114 L117 C151 E153Y113-M155 VanDerWaalsContact CB-SD 3.59Å; Y113-M155 HydrophobicContact CD2-CG 4.5Å; D114-M155 HydrophobicContact CB-CE 4.34Å; L117-M155 HydrophobicContact CD1-CE 4.48Å; L117-M155 HydrophobicContact CD1-SD 3.68Å; C151-M155 VanDerWaalsContact O-CB 3.27Å; C151-M155 WeakPolarHBondContact O-CB 3.38Å; C151-M155 WeakPolarHBondContact O-CG 3.47Å; C151-M155 PolarHBondContact O-N 2.85Å; E153-M155 VanDerWaalsContact C-N 3.32Å; E153-M155 PolarHBondContact O-N 2.89Å
156Q78.4Confident79.2Confident61 Ų6179.2 Ų79.229%0.28537%0.37SS..SBendtrans-64.3135.2176.3-67.6-159.18.900111.3L152 E153 I154 F160 L173L152-Q156 WeakPolarHBondContact O-CG 3.37Å; E153-Q156 WeakPolarHBondContact O-CB 3.49Å; E153-Q156 WeakPolarHBondContact O-CG 3.49Å; E153-Q156 PolarHBondContact O-N 3.41Å; E153-Q156 VanDerWaalsContact O-N 3.16Å; I154-Q156 PolarHBondContact O-N 2.91Å; Q156-F160 HydrophobicContact CB-CZ 4.49Å; Q156-L173 VanDerWaalsContact NE2-CD2 3.29Å
157P70.3Confident78.4Confident54 Ų5482.7 Ų82.735%0.35139%0.391SS..  trans-67.8136.3174.128.7-33.4000110.2K159 F160P157-K159 PolarHBondContact O-N 3.22Å; P157-F160 HydrophobicContact CG-CD1 4.08Å; P157-F160 HydrophobicContact CG-CE1 3.93Å; P157-F160 HydrophobicContact CG-CZ 4.24Å
158R66.2Low77.9Confident258 Ų25885.4 Ų85.497%0.97441%0.409SS*.SBendtrans-55-27.3177.3-71.3-173.2177.3-178.5-0.8113.6
159K68.3Low77.3Confident186 Ų18689.6 Ų89.681%0.80943%0.427SS*.SBendtrans-132.9126.7174.3-66.5-175.6179.7-178.90109.3P157P157-K159 PolarHBondContact O-N 3.22Å
160F67.6Low76.9Confident55 Ų5591.8 Ų91.824%0.24144%0.439CS..  trans-83.1133.7170.4-71.5-88.4000109.7Q156 P157 K166 K169Q156-F160 HydrophobicContact CB-CZ 4.49Å; P157-F160 HydrophobicContact CG-CD1 4.08Å; P157-F160 HydrophobicContact CG-CE1 3.93Å; P157-F160 HydrophobicContact CG-CZ 4.24Å; F160-K166 HydrophobicContact CB-CB 4.25Å; F160-K166 HydrophobicContact CD1-CB 3.71Å; F160-K166 HydrophobicContact CD1-CG 3.94Å; F160-K166 HydrophobicContact CD2-CB 4.37Å; F160-K166 HydrophobicContact CD2-CD 3.86Å; F160-K166 HydrophobicContact CD2-CG 3.85Å; F160-K166 HydrophobicContact CE1-CB 4.12Å; F160-K166 HydrophobicContact CE1-CG 4.01Å; F160-K166 HydrophobicContact CE2-CD 4.22Å; F160-K166 HydrophobicContact CE2-CG 3.93Å; F160-K166 HydrophobicContact CG-CB 3.85Å; F160-K166 HydrophobicContact CG-CD 4.13Å; F160-K166 HydrophobicContact CG-CG 3.85Å; F160-K166 HydrophobicContact CZ-CG 4.01Å; F160-K169 HydrophobicContact CE1-CD 4.3Å
161S59.9Low76.7Confident114 Ų11496.9 Ų96.980%0.79746%0.462SS*.SBendtrans-70.7-31.1178.7-175.90000112.6
162S71Confident76.5Confident46 Ų46103.5 Ų103.532%0.32249%0.491SS..  trans-150.7157176.972.40000112.3Y164 Q165 K166S162-Y164 PolarHBondContact O-N 2.76Å; S162-Q165 PolarHBondContact O-N 3.19Å; S162-Q165 PolarHBondContact OG-N 3.38Å; S162-K166 PolarHBondContact O-N 3.48Å
163K70.6Confident76.5Confident185 Ų185101.9 Ų101.980%0.80448%0.483SS*.Hα-helixtrans-57.9-37.4172.5-75.1-174179.1-179.90111.9Q165 K166 T167K163-Q165 VanDerWaalsContact C-N 3.33Å; K163-Q165 PolarHBondContact O-N 3.06Å; K163-K166 WeakPolarHBondContact O-CB 3.49Å; K163-K166 PolarHBondContact O-N 2.92Å; K163-K166 VanDerWaalsContact O-N 3.08Å; K163-T167 PolarHBondContact O-N 3.47Å; K163-T167 PolarHBondContact O-OG1 3.46Å
164Y68.6Low76.5Confident206 Ų206101.9 Ų101.981%0.80849%0.486SS*.Hα-helixtrans-64.5-31.1-179.2-69.4-78000114.2S162 P168S162-Y164 PolarHBondContact O-N 2.76Å; Y164-P168 WeakPolarHBondContact O-CD 3.46Å
165Q69.6Low76.7Confident107 Ų107102.7 Ų102.750%0.549%0.491SS..Hα-helixtrans-80.4-21.6174.2-72.6-177.7-800112.7S162 K163S162-Q165 PolarHBondContact O-N 3.19Å; S162-Q165 PolarHBondContact OG-N 3.38Å; K163-Q165 VanDerWaalsContact C-N 3.33Å; K163-Q165 PolarHBondContact O-N 3.06Å
166K73.8Confident77Confident100 Ų10098.7 Ų98.744%0.43547%0.472SS..Hα-helixtrans-77.9-46.5-176.1-171.7177.9179.9-175.20111.9F160 S162 K163 K169 L170F160-K166 HydrophobicContact CB-CB 4.25Å; F160-K166 HydrophobicContact CD1-CB 3.71Å; F160-K166 HydrophobicContact CD1-CG 3.94Å; F160-K166 HydrophobicContact CD2-CB 4.37Å; F160-K166 HydrophobicContact CD2-CD 3.86Å; F160-K166 HydrophobicContact CD2-CG 3.85Å; F160-K166 HydrophobicContact CE1-CB 4.12Å; F160-K166 HydrophobicContact CE1-CG 4.01Å; F160-K166 HydrophobicContact CE2-CD 4.22Å; F160-K166 HydrophobicContact CE2-CG 3.93Å; F160-K166 HydrophobicContact CG-CB 3.85Å; F160-K166 HydrophobicContact CG-CD 4.13Å; F160-K166 HydrophobicContact CG-CG 3.85Å; F160-K166 HydrophobicContact CZ-CG 4.01Å; S162-K166 PolarHBondContact O-N 3.48Å; K163-K166 WeakPolarHBondContact O-CB 3.49Å; K163-K166 PolarHBondContact O-N 2.92Å; K163-K166 VanDerWaalsContact O-N 3.08Å; K166-K169 PolarHBondContact O-N 3.01Å; K166-L170 WeakPolarHBondContact O-CB 3.35Å; K166-L170 PolarHBondContact O-N 2.74Å
167T77Confident77.6Confident74 Ų7495.9 Ų95.945%0.45446%0.458SS..Hα-helixtrans-55.7-55.7-176.221.20000114.6K163 K169 L170 E171K163-T167 PolarHBondContact O-N 3.47Å; K163-T167 PolarHBondContact O-OG1 3.46Å; T167-K169 VanDerWaalsContact C-N 3.29Å; T167-K169 PolarHBondContact O-N 2.85Å; T167-L170 PolarHBondContact O-N 2.88Å; T167-L170 VanDerWaalsContact O-N 3.16Å; T167-E171 WeakPolarHBondContact O-CG 3.01Å; T167-E171 PolarHBondContact O-N 2.7Å
168P82Confident78.6Confident58 Ų5895.4 Ų95.438%0.37745%0.452SS..Hα-helixtrans-68.5-28.2-175.527.2-35.8000113Y164 K172Y164-P168 WeakPolarHBondContact O-CD 3.46Å; P168-K172 WeakPolarHBondContact O-CG 3.38Å; P168-K172 PolarHBondContact O-N 3.49Å
169K81.1Confident79.8Confident113 Ų11387 Ų8749%0.49142%0.423SS..Hα-helixtrans-72.4-40174.8-72.1-172.8175.7-1720111.3F160 K166 T167 L173F160-K169 HydrophobicContact CE1-CD 4.3Å; K166-K169 PolarHBondContact O-N 3.01Å; T167-K169 VanDerWaalsContact C-N 3.29Å; T167-K169 PolarHBondContact O-N 2.85Å; K169-L173 PolarHBondContact O-N 3.2Å; K169-L173 VanDerWaalsContact O-N 3.15Å
170L82Confident80.9Confident46 Ų4678.1 Ų78.124%0.24138%0.384CS..Hα-helixtrans-67.3-41.6175.6-172.262.9000111.2K166 T167 K172 L173 T174K166-L170 WeakPolarHBondContact O-CB 3.35Å; K166-L170 PolarHBondContact O-N 2.74Å; T167-L170 PolarHBondContact O-N 2.88Å; T167-L170 VanDerWaalsContact O-N 3.16Å; L170-K172 PolarHBondContact O-N 2.96Å; L170-L173 HydrophobicContact CD1-CD2 4.37Å; L170-L173 WeakPolarHBondContact O-CB 3.47Å; L170-L173 PolarHBondContact O-N 3.07Å; L170-T174 WeakPolarHBondContact O-CB 3.35Å; L170-T174 PolarHBondContact O-N 3.44Å; L170-T174 PolarHBondContact O-OG1 3.39Å
171E86.3Confident82Confident113 Ų11375.7 Ų75.753%0.52837%0.374SS..Hα-helixtrans-59.3-44.2175.1-74.9167.3-167.200112.3T167 L173 T174 N175T167-E171 WeakPolarHBondContact O-CG 3.01Å; T167-E171 PolarHBondContact O-N 2.7Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.82Å; E171-T174 PolarHBondContact O-N 3.4Å; E171-N175 WeakPolarHBondContact O-CB 3.33Å; E171-N175 PolarHBondContact O-N 2.84Å; E171-N175 PolarHBondContact O-ND2 3.48Å; E171-N175 PolarHBondContact O-OD1 3.03Å
172K87.3Confident83.5Confident139 Ų13974.5 Ų74.560%0.60436%0.355SS*.Hα-helixtrans-62.1-39.8175.4-75.2-179.7-179.4-172.50112.5L152 P168 L170 A176L152-K172 HydrophobicContact CD1-CB 4.36Å; P168-K172 WeakPolarHBondContact O-CG 3.38Å; P168-K172 PolarHBondContact O-N 3.49Å; L170-K172 PolarHBondContact O-N 2.96Å; K172-A176 WeakPolarHBondContact O-CB 3.3Å; K172-A176 PolarHBondContact O-N 3.36Å; K172-A176 VanDerWaalsContact O-N 3.1Å
173L88.4Confident84.4Confident7 Ų772.8 Ų72.84%0.03734%0.342CS..Hα-helixtrans-63.7-52174.8177.166.8000110.6G149 L152 E153 Q156 K169 L170 E171 N175 A176 Y177G149-L173 WeakPolarHBondContact O-CD1 3.29Å; L152-L173 HydrophobicContact CB-CD1 3.86Å; E153-L173 HydrophobicContact CB-CD1 4.13Å; E153-L173 HydrophobicContact CB-CD2 4.38Å; Q156-L173 VanDerWaalsContact NE2-CD2 3.29Å; K169-L173 PolarHBondContact O-N 3.2Å; K169-L173 VanDerWaalsContact O-N 3.15Å; L170-L173 HydrophobicContact CD1-CD2 4.37Å; L170-L173 WeakPolarHBondContact O-CB 3.47Å; L170-L173 PolarHBondContact O-N 3.07Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.82Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.15Å; L173-A176 PolarHBondContact O-N 3.2Å; L173-Y177 HydrophobicContact CD1-CD2 3.87Å; L173-Y177 HydrophobicContact CD1-CE1 4.29Å; L173-Y177 HydrophobicContact CD1-CE2 3.41Å; L173-Y177 VanDerWaalsContact CD1-CE2 3.41Å; L173-Y177 HydrophobicContact CD1-CG 4.45Å; L173-Y177 HydrophobicContact CD2-CE2 4.12Å; L173-Y177 HydrophobicContact CG-CD2 3.91Å; L173-Y177 HydrophobicContact CG-CE2 3.76Å; L173-Y177 PolarHBondContact O-N 3.38Å
174T87.3Confident85.4Confident40 Ų4064 Ų6425%0.24530%0.304CS..Hα-helixtrans-56.8-46.1178.8-60.50000111.1L170 E171 A176 Y177 M178 F239L170-T174 WeakPolarHBondContact O-CB 3.35Å; L170-T174 PolarHBondContact O-N 3.44Å; L170-T174 PolarHBondContact O-OG1 3.39Å; E171-T174 PolarHBondContact O-N 3.4Å; T174-A176 PolarHBondContact O-N 3.3Å; T174-Y177 PolarHBondContact O-N 2.75Å; T174-M178 HydrophobicContact CG2-CG 4.08Å; T174-M178 WeakPolarHBondContact O-CB 3.45Å; T174-M178 VanDerWaalsContact O-CG 3.24Å; T174-M178 WeakPolarHBondContact O-CG 3.25Å; T174-M178 PolarHBondContact O-N 3.32Å; T174-F239 HydrophobicContact CG2-CE1 4.1Å; T174-F239 HydrophobicContact CG2-CZ 3.72Å
175N90.2Very high86.3Confident108 Ų10854.6 Ų54.658%0.57827%0.268SS*.Hα-helixtrans-63.5-41.4178.7-69.9-11.6000112.2E171 L173 K179E171-N175 WeakPolarHBondContact O-CB 3.33Å; E171-N175 PolarHBondContact O-N 2.84Å; E171-N175 PolarHBondContact O-ND2 3.48Å; E171-N175 PolarHBondContact O-OD1 3.03Å; L173-N175 VanDerWaalsContact C-N 3.33Å; L173-N175 PolarHBondContact O-N 3.15Å; N175-K179 VanDerWaalsContact O-CB 3.26Å; N175-K179 WeakPolarHBondContact O-CB 3.45Å; N175-K179 PolarHBondContact O-N 3.45Å
176A90.4Very high87.2Confident3 Ų351.9 Ų51.93%0.02526%0.261CS..Hα-helixtrans-63.8-44.5176.400000111.6K148 K172 L173 T174 S180K148-A176 HydrophobicContact CD-CB 4.46Å; K148-A176 HydrophobicContact CG-CB 4.31Å; K172-A176 WeakPolarHBondContact O-CB 3.3Å; K172-A176 PolarHBondContact O-N 3.36Å; K172-A176 VanDerWaalsContact O-N 3.1Å; L173-A176 PolarHBondContact O-N 3.2Å; T174-A176 PolarHBondContact O-N 3.3Å; A176-S180 VanDerWaalsContact O-CB 3.25Å; A176-S180 WeakPolarHBondContact O-CB 3.38Å; A176-S180 PolarHBondContact O-N 2.87Å
177Y92.1Very high87.8Confident1 Ų147.7 Ų47.70%0.00424%0.242CC..Hα-helixtrans-67.2-44.9177.1-77-21.8000113.7G149 F150 E153 L173 T174 K179 S180 T181 L231 V235G149-Y177 VanDerWaalsContact C-CE1 3.43Å; G149-Y177 PolarHBondContact O-OH 3.34Å; F150-Y177 HydrophobicContact CD1-CE1 4.12Å; F150-Y177 HydrophobicContact CE1-CE1 4.35Å; E153-Y177 WeakPolarHBondContact CB-OH 3.13Å; E153-Y177 PolarHBondContact OE2-OH 3.25Å; L173-Y177 HydrophobicContact CD1-CD2 3.87Å; L173-Y177 HydrophobicContact CD1-CE1 4.29Å; L173-Y177 HydrophobicContact CD1-CE2 3.41Å; L173-Y177 VanDerWaalsContact CD1-CE2 3.41Å; L173-Y177 HydrophobicContact CD1-CG 4.45Å; L173-Y177 HydrophobicContact CD2-CE2 4.12Å; L173-Y177 HydrophobicContact CG-CD2 3.91Å; L173-Y177 HydrophobicContact CG-CE2 3.76Å; L173-Y177 PolarHBondContact O-N 3.38Å; T174-Y177 PolarHBondContact O-N 2.75Å; Y177-K179 VanDerWaalsContact C-N 3.35Å; Y177-K179 PolarHBondContact O-N 3.1Å; Y177-S180 PolarHBondContact O-N 2.96Å; Y177-T181 WeakPolarHBondContact O-CG2 3.46Å; Y177-T181 PolarHBondContact O-N 2.98Å; Y177-T181 PolarHBondContact O-OG1 3.44Å; Y177-L231 HydrophobicContact CD1-CD1 3.7Å; Y177-L231 HydrophobicContact CE1-CD1 4.03Å; Y177-V235 HydrophobicContact CD1-CG2 3.79Å; Y177-V235 HydrophobicContact CD2-CG2 4.05Å; Y177-V235 HydrophobicContact CE1-CG2 4.41Å; Y177-V235 HydrophobicContact CG-CG2 3.6Å
178M90.8Very high88.2Confident44 Ų4444.1 Ų44.122%0.21722%0.221CC..Hα-helixtrans-61.9-44176.1-70.5-54.4-56.900111.1T174 S180 T181 E182 F239 L251T174-M178 HydrophobicContact CG2-CG 4.08Å; T174-M178 WeakPolarHBondContact O-CB 3.45Å; T174-M178 VanDerWaalsContact O-CG 3.24Å; T174-M178 WeakPolarHBondContact O-CG 3.25Å; T174-M178 PolarHBondContact O-N 3.32Å; M178-S180 PolarHBondContact O-N 2.74Å; M178-T181 WeakPolarHBondContact CA-OG1 3.41Å; M178-T181 PolarHBondContact O-N 3.39Å; M178-T181 PolarHBondContact O-OG1 3Å; M178-E182 WeakPolarHBondContact O-CG 3.49Å; M178-E182 PolarHBondContact O-N 3.03Å; M178-F239 HydrophobicContact SD-CE2 4.22Å; M178-F239 HydrophobicContact SD-CZ 4.07Å; M178-L251 HydrophobicContact CE-CD2 3.62Å; M178-L251 HydrophobicContact SD-CD1 4.23Å; M178-L251 HydrophobicContact SD-CD2 3.69Å
179K90.8Very high88.4Confident82 Ų8245.3 Ų45.336%0.35722%0.221SC..Hα-helixtrans-65.8-40.4177.7-166.759.2174.9177.40112.3Y145 N175 Y177 E182 L183Y145-K179 HydrophobicContact CD1-CB 4.1Å; Y145-K179 HydrophobicContact CD1-CG 4.17Å; Y145-K179 HydrophobicContact CD2-CG 4.03Å; Y145-K179 HydrophobicContact CE1-CB 4.23Å; Y145-K179 HydrophobicContact CE1-CG 3.97Å; Y145-K179 HydrophobicContact CE2-CG 3.82Å; Y145-K179 HydrophobicContact CG-CB 4.3Å; Y145-K179 HydrophobicContact CG-CG 4.2Å; N175-K179 VanDerWaalsContact O-CB 3.26Å; N175-K179 WeakPolarHBondContact O-CB 3.45Å; N175-K179 PolarHBondContact O-N 3.45Å; Y177-K179 VanDerWaalsContact C-N 3.35Å; Y177-K179 PolarHBondContact O-N 3.1Å; K179-E182 IonicContact NZ-OE2 3.41Å; K179-L183 HydrophobicContact CG-CD1 4.27Å; K179-L183 VanDerWaalsContact O-CG 3.24Å; K179-L183 WeakPolarHBondContact O-CG 3.4Å; K179-L183 PolarHBondContact O-N 3.26Å; K179-L183 VanDerWaalsContact O-N 3.09Å
180S92.2Very high88.5Confident0 Ų043.7 Ų43.70%022%0.215CC..Hα-helixtrans-64.4-43.2176.8-169.70000112.1A142 A146 A176 Y177 M178 L183 T184 L231A142-S180 PolarHBondContact O-OG 3.49Å; A146-S180 WeakPolarHBondContact CA-OG 3.12Å; A146-S180 VanDerWaalsContact CB-OG 3.32Å; A146-S180 WeakPolarHBondContact CB-OG 3.44Å; A146-S180 PolarHBondContact N-OG 3.27Å; A146-S180 VanDerWaalsContact N-OG 3.07Å; A176-S180 VanDerWaalsContact O-CB 3.25Å; A176-S180 WeakPolarHBondContact O-CB 3.38Å; A176-S180 PolarHBondContact O-N 2.87Å; Y177-S180 PolarHBondContact O-N 2.96Å; M178-S180 PolarHBondContact O-N 2.74Å; S180-L183 PolarHBondContact O-N 3.4Å; S180-T184 WeakPolarHBondContact O-CB 3.46Å; S180-T184 PolarHBondContact O-N 2.9Å; S180-T184 PolarHBondContact O-OG1 3.46Å; S180-L231 WeakPolarHBondContact OG-CD2 3.35Å
181T91.1Very high88.4Confident4 Ų441.6 Ų41.63%0.02521%0.205CC..Hα-helixtrans-63.5-48176.6500000111.3Y177 M178 L183 T184 L185 L231 L232 V235Y177-T181 WeakPolarHBondContact O-CG2 3.46Å; Y177-T181 PolarHBondContact O-N 2.98Å; Y177-T181 PolarHBondContact O-OG1 3.44Å; M178-T181 WeakPolarHBondContact CA-OG1 3.41Å; M178-T181 PolarHBondContact O-N 3.39Å; M178-T181 PolarHBondContact O-OG1 3Å; T181-L183 VanDerWaalsContact C-N 3.32Å; T181-L183 PolarHBondContact O-N 3.38Å; T181-T184 PolarHBondContact O-N 2.9Å; T181-T184 VanDerWaalsContact O-N 3.17Å; T181-L185 WeakPolarHBondContact O-CB 3.19Å; T181-L185 WeakPolarHBondContact O-CG 3.4Å; T181-L185 PolarHBondContact O-N 3.43Å; T181-L231 HydrophobicContact CG2-CD2 4.23Å; T181-L231 HydrophobicContact CG2-CG 4.42Å; T181-L232 HydrophobicContact CG2-CD2 4.22Å; T181-V235 HydrophobicContact CG2-CB 4.04Å; T181-V235 HydrophobicContact CG2-CG1 3.97Å; T181-V235 HydrophobicContact CG2-CG2 3.9Å
182E90.6Very high88Confident88 Ų8839.9 Ų39.941%0.41120%0.197SC..Hα-helixtrans-53.3-46.5174.4-74.5172.8-174.100113M178 K179 S186M178-E182 WeakPolarHBondContact O-CG 3.49Å; M178-E182 PolarHBondContact O-N 3.03Å; K179-E182 IonicContact NZ-OE2 3.41Å; E182-S186 WeakPolarHBondContact O-CB 3.44Å; E182-S186 PolarHBondContact O-N 3.46Å; E182-S186 PolarHBondContact O-OG 3.28Å
183L90.5Very high87.6Confident10 Ų1039.3 Ų39.35%0.05219%0.194CC..Hα-helixtrans-69-38.5179.2-67.2174.5000112.2Y132 L138 A141 A142 Y145 K179 S180 T181 S186 Y187Y132-L183 HydrophobicContact CD2-CD2 4.49Å; Y132-L183 HydrophobicContact CE2-CD2 3.46Å; Y132-L183 VanDerWaalsContact CE2-CD2 3.46Å; Y132-L183 WeakPolarHBondContact OH-CD2 3.48Å; L138-L183 HydrophobicContact CD1-CD2 3.94Å; A141-L183 HydrophobicContact CB-CD1 4.27Å; A142-L183 HydrophobicContact CB-CB 3.78Å; Y145-L183 HydrophobicContact CD2-CD1 3.65Å; Y145-L183 HydrophobicContact CE2-CD1 3.97Å; K179-L183 HydrophobicContact CG-CD1 4.27Å; K179-L183 VanDerWaalsContact O-CG 3.24Å; K179-L183 WeakPolarHBondContact O-CG 3.4Å; K179-L183 PolarHBondContact O-N 3.26Å; K179-L183 VanDerWaalsContact O-N 3.09Å; S180-L183 PolarHBondContact O-N 3.4Å; T181-L183 VanDerWaalsContact C-N 3.32Å; T181-L183 PolarHBondContact O-N 3.38Å; L183-S186 PolarHBondContact O-N 3.37Å; L183-Y187 WeakPolarHBondContact O-CB 3.28Å; L183-Y187 PolarHBondContact O-N 3.4Å
184T90.7Very high86.8Confident0 Ų042.4 Ų42.40%022%0.221CC..Hα-helixtrans-63.7-43.9176.5-57.50000111S180 T181 Y187 L188 M224 L228 L232S180-T184 WeakPolarHBondContact O-CB 3.46Å; S180-T184 PolarHBondContact O-N 2.9Å; S180-T184 PolarHBondContact O-OG1 3.46Å; T181-T184 PolarHBondContact O-N 2.9Å; T181-T184 VanDerWaalsContact O-N 3.17Å; T184-Y187 WeakPolarHBondContact O-CB 3.42Å; T184-Y187 PolarHBondContact O-N 2.98Å; T184-L188 WeakPolarHBondContact O-CG 3.38Å; T184-L188 PolarHBondContact O-N 3.16Å; T184-M224 HydrophobicContact CG2-SD 4.23Å; T184-L228 HydrophobicContact CG2-CB 3.97Å; T184-L228 HydrophobicContact CG2-CD1 4.16Å; T184-L228 HydrophobicContact CG2-CG 4.44Å; T184-L232 HydrophobicContact CG2-CD1 3.91Å; T184-L232 HydrophobicContact CG2-CD2 4.13Å; T184-L232 HydrophobicContact CG2-CG 4.06Å
185L88.4Confident85.9Confident10 Ų1042.4 Ų42.45%0.05222%0.219CC..Hα-helixtrans-65.4-41.7177.5-65.7174.3000111.3T181 Y187 L188 Q189 L232 I255 I258 V259T181-L185 WeakPolarHBondContact O-CB 3.19Å; T181-L185 WeakPolarHBondContact O-CG 3.4Å; T181-L185 PolarHBondContact O-N 3.43Å; L185-Y187 VanDerWaalsContact C-N 3.32Å; L185-Y187 PolarHBondContact O-N 2.87Å; L185-L188 PolarHBondContact O-N 3.27Å; L185-Q189 WeakPolarHBondContact O-CG 2.97Å; L185-Q189 PolarHBondContact O-N 3.11Å; L185-Q189 VanDerWaalsContact O-N 3.08Å; L185-L232 HydrophobicContact CD2-CD2 4.5Å; L185-I255 HydrophobicContact CD1-CG1 4.34Å; L185-I255 HydrophobicContact CD2-CG2 4.27Å; L185-I258 HydrophobicContact CB-CD1 4.12Å; L185-I258 HydrophobicContact CB-CG2 4.03Å; L185-I258 HydrophobicContact CD1-CD1 3.93Å; L185-I258 HydrophobicContact CD2-CB 3.86Å; L185-I258 HydrophobicContact CD2-CD1 4.12Å; L185-I258 HydrophobicContact CD2-CG2 3.67Å; L185-I258 HydrophobicContact CG-CD1 4.27Å; L185-I258 HydrophobicContact CG-CG2 4.41Å; L185-V259 HydrophobicContact CD2-CG2 4.3Å
186S88Confident84.4Confident50 Ų5040.9 Ų40.935%0.3522%0.217SC..Hα-helixtrans-62.1-41.1173.8-55.50000111.5E182 L183 Q189 E190E182-S186 WeakPolarHBondContact O-CB 3.44Å; E182-S186 PolarHBondContact O-N 3.46Å; E182-S186 PolarHBondContact O-OG 3.28Å; L183-S186 PolarHBondContact O-N 3.37Å; S186-Q189 PolarHBondContact O-N 2.95Å; S186-E190 WeakPolarHBondContact O-CG 3.28Å; S186-E190 PolarHBondContact O-N 3.23Å
187Y87.6Confident82.3Confident11 Ų1146.3 Ų46.34%0.04325%0.252CS..Hα-helixtrans-60.6-46.1176170.5-104.8000112.1L135 L138 R139 L183 T184 L185 Q189 E190 C191 L228L135-Y187 HydrophobicContact CB-CE2 4.38Å; L135-Y187 HydrophobicContact CD2-CD2 4.23Å; L135-Y187 HydrophobicContact CD2-CE2 4.38Å; L138-Y187 HydrophobicContact CD2-CD2 4.5Å; R139-Y187 HydrophobicContact CB-CD2 3.92Å; R139-Y187 HydrophobicContact CB-CE2 3.68Å; R139-Y187 HydrophobicContact CG-CE2 4.31Å; L183-Y187 WeakPolarHBondContact O-CB 3.28Å; L183-Y187 PolarHBondContact O-N 3.4Å; T184-Y187 WeakPolarHBondContact O-CB 3.42Å; T184-Y187 PolarHBondContact O-N 2.98Å; L185-Y187 VanDerWaalsContact C-N 3.32Å; L185-Y187 PolarHBondContact O-N 2.87Å; Y187-Q189 PolarHBondContact O-N 3.35Å; Y187-E190 PolarHBondContact O-N 3.38Å; Y187-C191 WeakPolarHBondContact CE2-SG 3.2Å; Y187-C191 WeakPolarHBondContact O-CB 3.16Å; Y187-C191 PolarHBondContact O-N 2.93Å; Y187-C191 PolarHBondContact O-SG 3.27Å; Y187-L228 HydrophobicContact CD1-CD1 4.28Å
188L85.4Confident79.5Confident0 Ų057.7 Ų57.70%030%0.295CS..Hα-helixtrans-61-44.3177.3-72.9175.8000112T184 L185 E190 C191 E192 M224 L232 V259 I263T184-L188 WeakPolarHBondContact O-CG 3.38Å; T184-L188 PolarHBondContact O-N 3.16Å; L185-L188 PolarHBondContact O-N 3.27Å; L188-E190 PolarHBondContact O-N 3Å; L188-C191 PolarHBondContact O-N 3.09Å; L188-E192 PolarHBondContact O-N 2.95Å; L188-M224 HydrophobicContact CD1-SD 3.78Å; L188-M224 HydrophobicContact CD2-CB 4.41Å; L188-M224 HydrophobicContact CD2-CG 4.31Å; L188-M224 HydrophobicContact CD2-SD 3.73Å; L188-M224 HydrophobicContact CG-SD 4.07Å; L188-L232 HydrophobicContact CD1-CD1 4.43Å; L188-V259 HydrophobicContact CD1-CG2 4.16Å; L188-I263 HydrophobicContact CD2-CB 4.25Å; L188-I263 HydrophobicContact CD2-CG2 3.99Å
189Q85.4Confident77.1Confident82 Ų8262.1 Ų62.138%0.38332%0.315SS..Hα-helixtrans-62.3-41.6177.6-71.6175.4-13.800112.5L185 S186 Y187 E192 K193 I258L185-Q189 WeakPolarHBondContact O-CG 2.97Å; L185-Q189 PolarHBondContact O-N 3.11Å; L185-Q189 VanDerWaalsContact O-N 3.08Å; S186-Q189 PolarHBondContact O-N 2.95Å; Y187-Q189 PolarHBondContact O-N 3.35Å; Q189-E192 PolarHBondContact O-N 2.94Å; Q189-K193 WeakPolarHBondContact O-CG 3.47Å; Q189-K193 PolarHBondContact O-N 3.44Å; Q189-K193 VanDerWaalsContact O-N 3.09Å; Q189-I258 HydrophobicContact CG-CG2 3.93Å
190E83.2Confident74.3Confident80 Ų8064.6 Ų64.637%0.37433%0.331SS..Hα-helixtrans-70.6-35176.8-68.5-58.9141.100112.3L135 L138 S186 Y187 L188 E192 K193 A194L135-E190 HydrophobicContact CD2-CB 3.41Å; L135-E190 VanDerWaalsContact CD2-CB 3.41Å; L138-E190 HydrophobicContact CD2-CG 4.48Å; S186-E190 WeakPolarHBondContact O-CG 3.28Å; S186-E190 PolarHBondContact O-N 3.23Å; Y187-E190 PolarHBondContact O-N 3.38Å; L188-E190 PolarHBondContact O-N 3Å; E190-E192 VanDerWaalsContact C-N 3.35Å; E190-K193 PolarHBondContact O-N 2.89Å; E190-K193 IonicContact OE1-NZ 3.66Å; E190-K193 PolarHBondContact OE1-NZ 3.46Å; E190-K193 IonicContact OE2-NZ 3.95Å; E190-A194 PolarHBondContact O-N 3.48Å; E190-A194 VanDerWaalsContact O-N 3.11Å
191C80.7Confident71.2Confident2 Ų268.8 Ų68.81%0.01436%0.361CS..Hα-helixtrans-62.5-42.5172.6-69.70000111.7Y187 L188 A194 I195 P222 I263Y187-C191 WeakPolarHBondContact CE2-SG 3.2Å; Y187-C191 WeakPolarHBondContact O-CB 3.16Å; Y187-C191 PolarHBondContact O-N 2.93Å; Y187-C191 PolarHBondContact O-SG 3.27Å; L188-C191 PolarHBondContact O-N 3.09Å; C191-A194 WeakPolarHBondContact O-CB 3.06Å; C191-A194 PolarHBondContact O-N 3.09Å; C191-I195 VanDerWaalsContact O-CG1 3.31Å; C191-I195 WeakPolarHBondContact O-CG1 3.37Å; C191-I195 PolarHBondContact O-N 3.5Å; C191-I195 VanDerWaalsContact O-N 3.17Å; C191-P222 HydrophobicContact CB-CG 4.36Å; C191-I263 HydrophobicContact CB-CD1 3.46Å; C191-I263 VanDerWaalsContact CB-CD1 3.46Å
192E77Confident68.5Low77 Ų7776.3 Ų76.336%0.3640%0.4SS..Hα-helixtrans-63.7-44.1177.7-171.2-177.7-178.500111.9L188 Q189 E190 A194 I195 S196L188-E192 PolarHBondContact O-N 2.95Å; Q189-E192 PolarHBondContact O-N 2.94Å; E190-E192 VanDerWaalsContact C-N 3.35Å; E192-A194 PolarHBondContact O-N 3.22Å; E192-I195 PolarHBondContact O-N 3.34Å; E192-S196 PolarHBondContact O-N 3.45Å
193K78.5Confident65.5Low126 Ų12678.5 Ų78.555%0.54842%0.419SS..Hα-helixtrans-54.8-41.4173-72.4173.7-170.21710111.5Q189 E190 I195 S196Q189-K193 WeakPolarHBondContact O-CG 3.47Å; Q189-K193 PolarHBondContact O-N 3.44Å; Q189-K193 VanDerWaalsContact O-N 3.09Å; E190-K193 PolarHBondContact O-N 2.89Å; E190-K193 IonicContact OE1-NZ 3.66Å; E190-K193 PolarHBondContact OE1-NZ 3.46Å; E190-K193 IonicContact OE2-NZ 3.95Å; K193-I195 VanDerWaalsContact C-N 3.31Å; K193-I195 PolarHBondContact O-N 3.23Å; K193-S196 PolarHBondContact O-N 3.17Å; K193-S196 PolarHBondContact O-OG 3.38Å
194A71.4Confident62.5Low73 Ų7381.6 Ų81.660%0.60344%0.442SS*.Hα-helixtrans-68.5-24.917900000113.9L135 E190 C191 E192L135-A194 HydrophobicContact CD1-CB 4.46Å; E190-A194 PolarHBondContact O-N 3.48Å; E190-A194 VanDerWaalsContact O-N 3.11Å; C191-A194 WeakPolarHBondContact O-CB 3.06Å; C191-A194 PolarHBondContact O-N 3.09Å; E192-A194 PolarHBondContact O-N 3.22Å
195I69.8Low59.5Low39 Ų3988 Ų8820%0.248%0.483CS..Hα-helixtrans-79.4-19.3-179.3-69.5165000112.4C191 E192 K193 M221 P222 I263C191-I195 VanDerWaalsContact O-CG1 3.31Å; C191-I195 WeakPolarHBondContact O-CG1 3.37Å; C191-I195 PolarHBondContact O-N 3.5Å; C191-I195 VanDerWaalsContact O-N 3.17Å; E192-I195 PolarHBondContact O-N 3.34Å; K193-I195 VanDerWaalsContact C-N 3.31Å; K193-I195 PolarHBondContact O-N 3.23Å; I195-M221 HydrophobicContact CD1-CE 4.3Å; I195-M221 HydrophobicContact CD1-SD 3.95Å; I195-M221 HydrophobicContact CG1-CE 4.1Å; I195-M221 HydrophobicContact CG1-SD 4.4Å; I195-M221 HydrophobicContact CG2-CE 4.12Å; I195-P222 HydrophobicContact CD1-CG 4.37Å; I195-I263 HydrophobicContact CD1-CD1 3.82Å; I195-I263 HydrophobicContact CD1-CG1 4.2Å
196S57.3Low56.8Low76 Ų7695 Ų9553%0.53152%0.52SS..THydrogen-bonded Turntrans-99.6150.7-174.5740000114.9E192 K193E192-S196 PolarHBondContact O-N 3.45Å; K193-S196 PolarHBondContact O-N 3.17Å; K193-S196 PolarHBondContact O-OG 3.38Å
197P46.1Very low54Low117 Ų11798.3 Ų98.376%0.7654%0.54SS*.THydrogen-bonded Turncis-124.491.5-22.435.7-16.5000111.1
198R35.1Very low51.2Low241 Ų241102.5 Ų102.591%0.90958%0.577SS**SBendtrans-126.9-0.4166-105.8-177179.2157.81.1115
199Q38.6Very low48.5Very low136 Ų136107.3 Ų107.364%0.63662%0.617SS**SBendtrans-125.2-6.8-175.5-73.2-177-28.600115.3
200L32.5Very low45.8Very low135 Ų135108.3 Ų108.371%0.70763%0.633SS**  trans-101.710.4-177.1-82.1155.2000114.9L202L200-L202 VanDerWaalsContact C-N 3.3Å; L200-L202 PolarHBondContact O-N 3.49Å
201S28.1Very low43.5Very low88 Ų88109.7 Ų109.762%0.61565%0.652SS**  trans-79.876.5170.455.90000110.9T203S201-T203 PolarHBondContact O-N 3.42Å
202L34.4Very low41Very low161 Ų161117.6 Ų117.684%0.84369%0.694SS**  trans-78.613.8169.8-91.8153.7000113.3L200L200-L202 VanDerWaalsContact C-N 3.3Å; L200-L202 PolarHBondContact O-N 3.49Å
203T26.5Very low38.7Very low134 Ų134117.8 Ų117.882%0.82271%0.709SS**SBendtrans-12251.5-178.7550000112.5S201S201-T203 PolarHBondContact O-N 3.42Å
204S28Very low36.3Very low76 Ų76115.8 Ų115.853%0.53172%0.716SS.*SBendtrans-154.8127.3152.157.40000110L206S204-L206 PolarHBondContact O-N 3.44Å; S204-L206 VanDerWaalsContact O-N 3.14Å
205P28.5Very low34Very low134 Ų134114.8 Ų114.887%0.8771%0.712SS**  trans-70.8111-179.329.2-32.2000108.9
206L31.1Very low32.1Very low158 Ų158117.6 Ų117.683%0.82773%0.733SS**PPolyproline II helixtrans-73.9142.5176.1-81.6156000110.7S204S204-L206 PolarHBondContact O-N 3.44Å; S204-L206 VanDerWaalsContact O-N 3.14Å
207P28.9Very low30.5Very low118 Ų118117.9 Ų117.977%0.76673%0.734SS**PPolyproline II helixtrans-73.7152.6-174.4-4.321000112.1
208A28.9Very low29.8Very low99 Ų99120.8 Ų120.882%0.81874%0.735SS**SBendtrans-49.8134-177.800000114.8
209A28.9Very low29.5Very low101 Ų101114.8 Ų114.884%0.83573%0.73SS**  trans54.985.4145.300000117.7
210S28.2Very low29.2Very low104 Ų104112.8 Ų112.873%0.72773%0.73SS**  trans-111.7105.9139.6580000108.9N212S210-N212 PolarHBondContact O-N 3.18Å
211S36.3Very low29.9Very low109 Ų109110.5 Ų110.576%0.76272%0.717SS**THydrogen-bonded Turntrans-61.896171.452.10000108.9
212N28.1Very low31.2Very low167 Ų167108.6 Ų108.689%0.89370%0.702SS**THydrogen-bonded Turntrans1593.7155.9-81.4-11.3000113.6S210 A214S210-N212 PolarHBondContact O-N 3.18Å; N212-A214 PolarHBondContact O-N 3.25Å
213A27.8Very low32.9Very low82 Ų82105 Ų10568%0.67868%0.684SS**  trans-78.3106.6163.800000108.3G215A213-G215 PolarHBondContact O-N 3.04Å; A213-G215 VanDerWaalsContact O-N 3.1Å
214A27.1Very low35.4Very low84 Ų8498.6 Ų98.669%0.69465%0.645SS**  trans-45121.516300000107.8N212N212-A214 PolarHBondContact O-N 3.25Å
215G25Very low38Very low51 Ų5195.3 Ų95.353%0.52662%0.622SS.*  trans-50.7156170.200000109.6A213 C217A213-G215 PolarHBondContact O-N 3.04Å; A213-G215 VanDerWaalsContact O-N 3.1Å; G215-C217 PolarHBondContact O-N 2.98Å
216P29.1Very low40.7Very low99 Ų9990.8 Ų90.864%0.64359%0.591SS**  trans-50.7110.1-174.620.6-30.7000109.7F218P216-F218 HydrophobicContact CG-CE2 4.49Å; P216-F218 WeakPolarHBondContact O-CD2 3.25Å; P216-F218 PolarHBondContact O-N 3.42Å
217C23.2Very low43.4Very low82 Ų8283.3 Ų83.355%0.55455%0.551SS**  trans-68.797.3-179.8-76.40000108.3G215 S219G215-C217 PolarHBondContact O-N 2.98Å; C217-S219 PolarHBondContact O-N 3.43Å
218F30.8Very low46.4Very low178 Ų17877.7 Ų77.778%0.78152%0.515SS*.G310 helixtrans-59.2-8169.2-80.9-88.4000113.5P216 C220P216-F218 HydrophobicContact CG-CE2 4.49Å; P216-F218 WeakPolarHBondContact O-CD2 3.25Å; P216-F218 PolarHBondContact O-N 3.42Å; F218-C220 PolarHBondContact O-N 3.39Å
219S30.2Very low49.2Very low114 Ų11474.3 Ų74.380%0.79748%0.482SS*.G310 helixtrans-75.96.7-178.768.70000115.4C217C217-S219 PolarHBondContact O-N 3.43Å
220C31.6Very low52.1Low95 Ų9571 Ų7164%0.64245%0.451SS*.G310 helixtrans-12524.6-174.6-159.90000113.6F218F218-C220 PolarHBondContact O-N 3.39Å
221M47.1Very low55.2Low86 Ų8666 Ų6642%0.42442%0.417SS..SBendtrans-82131.4168.6-74.3-77.4108.900109.5I195 N223I195-M221 HydrophobicContact CD1-CE 4.3Å; I195-M221 HydrophobicContact CD1-SD 3.95Å; I195-M221 HydrophobicContact CG1-CE 4.1Å; I195-M221 HydrophobicContact CG1-SD 4.4Å; I195-M221 HydrophobicContact CG2-CE 4.12Å; M221-N223 PolarHBondContact O-N 2.93Å
222P55.6Low57.8Low49 Ų4960.8 Ų60.832%0.31838%0.38SS..PPolyproline II helixtrans-65.4116.9177.525.8-32.7000110C191 I195 I263C191-P222 HydrophobicContact CB-CG 4.36Å; I195-P222 HydrophobicContact CD1-CG 4.37Å; P222-I263 HydrophobicContact CG-CD1 3.83Å; P222-I263 HydrophobicContact CG-CG1 4.46Å; P222-I263 VanDerWaalsContact O-CG2 3.25Å; P222-I263 WeakPolarHBondContact O-CG2 3.49Å
223N70.2Confident60.7Low84 Ų8455.6 Ų55.645%0.44935%0.348SS..PPolyproline II helixtrans-72.5129.2171.4-175.2-14.3000109.1R139 M221 G225R139-N223 PolarHBondContact NH1-O 3.41Å; M221-N223 PolarHBondContact O-N 2.93Å; N223-G225 PolarHBondContact O-N 3.48Å; N223-G225 VanDerWaalsContact O-N 3.09Å; N223-G225 PolarHBondContact OD1-N 3.48Å
224M78.7Confident63.6Low1 Ų153.9 Ų53.91%0.00533%0.326CS..  trans-55-27.7177175.7158.363.100112.3T184 L188 L228 E229 L232 I263 V267T184-M224 HydrophobicContact CG2-SD 4.23Å; L188-M224 HydrophobicContact CD1-SD 3.78Å; L188-M224 HydrophobicContact CD2-CB 4.41Å; L188-M224 HydrophobicContact CD2-CG 4.31Å; L188-M224 HydrophobicContact CD2-SD 3.73Å; L188-M224 HydrophobicContact CG-SD 4.07Å; M224-L228 HydrophobicContact CG-CB 3.69Å; M224-L228 HydrophobicContact CG-CD1 4.43Å; M224-L228 WeakPolarHBondContact O-CD1 3.31Å; M224-L228 HydrophobicContact SD-CB 4.38Å; M224-E229 HydrophobicContact CB-CG 4.48Å; M224-E229 HydrophobicContact CE-CB 4.24Å; M224-E229 HydrophobicContact CE-CG 3.42Å; M224-E229 VanDerWaalsContact CE-CG 3.42Å; M224-E229 HydrophobicContact CG-CG 4.41Å; M224-L232 HydrophobicContact CE-CD1 3.98Å; M224-L232 HydrophobicContact SD-CD1 3.76Å; M224-I263 HydrophobicContact CB-CG2 3.83Å; M224-V267 HydrophobicContact CE-CB 4.07Å; M224-V267 HydrophobicContact CE-CG2 3.43Å; M224-V267 VanDerWaalsContact CE-CG2 3.43Å
225G83.5Confident66.7Low6 Ų650 Ų506%0.06229%0.294CS..  trans85.9144.6178.600000111.6N223 L227 L228 E229N223-G225 PolarHBondContact O-N 3.48Å; N223-G225 VanDerWaalsContact O-N 3.09Å; N223-G225 PolarHBondContact OD1-N 3.48Å; G225-L227 VanDerWaalsContact C-N 3.32Å; G225-L227 PolarHBondContact O-N 3.4Å; G225-L228 PolarHBondContact O-N 3.07Å; G225-E229 PolarHBondContact O-N 3.09Å; G225-E229 VanDerWaalsContact O-N 3.08Å
226I84.7Confident69.9Low39 Ų3947.5 Ų47.520%0.227%0.269CS..Hα-helixtrans-66.7-30.5-165.4-163.3163.5000114.6V57 K61 L64 T230V57-I226 HydrophobicContact CG1-CG2 4.27Å; K61-I226 HydrophobicContact CB-CD1 3.7Å; K61-I226 HydrophobicContact CG-CD1 4.32Å; K61-I226 WeakPolarHBondContact O-CD1 3.17Å; L64-I226 HydrophobicContact CD1-CG1 4.03Å; L64-I226 HydrophobicContact CD1-CG2 4.14Å; I226-T230 VanDerWaalsContact O-CB 3.25Å; I226-T230 WeakPolarHBondContact O-CB 3.42Å; I226-T230 PolarHBondContact O-N 3.06Å; I226-T230 PolarHBondContact O-OG1 3.27Å
227L88.7Confident72.8Confident1 Ų145.5 Ų45.51%0.00525%0.252CS..Hα-helixtrans-64.9-42.4177.2-71169.2000111.4L64 K105 F108 F109 E143 I147 F150 G225 L231L64-L227 HydrophobicContact CD1-CD2 4.05Å; L64-L227 HydrophobicContact CD2-CD2 4.03Å; K105-L227 HydrophobicContact CD-CD1 4.22Å; K105-L227 HydrophobicContact CG-CD1 4.45Å; F108-L227 HydrophobicContact CD1-CD2 4.44Å; F108-L227 HydrophobicContact CE1-CD2 3.9Å; F109-L227 HydrophobicContact CE2-CD1 4.24Å; F109-L227 HydrophobicContact CZ-CD1 4.29Å; F109-L227 HydrophobicContact CZ-CD2 4.1Å; F109-L227 HydrophobicContact CZ-CG 4.31Å; E143-L227 HydrophobicContact CB-CD1 4.42Å; E143-L227 HydrophobicContact CG-CB 4.38Å; E143-L227 HydrophobicContact CG-CD1 4.32Å; I147-L227 HydrophobicContact CD1-CD1 3.83Å; I147-L227 HydrophobicContact CG1-CD1 4.16Å; I147-L227 HydrophobicContact CG1-CD2 4.22Å; F150-L227 HydrophobicContact CD2-CD2 4.49Å; F150-L227 HydrophobicContact CE2-CD2 4.1Å; G225-L227 VanDerWaalsContact C-N 3.32Å; G225-L227 PolarHBondContact O-N 3.4Å; L227-L231 VanDerWaalsContact O-CB 3.28Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 PolarHBondContact O-N 3.04Å
228L90.4Very high75.9Confident0 Ų042.4 Ų42.40%023%0.231CC..Hα-helixtrans-74.4-38.9-179.9-59.3-170.4000111.2R139 A142 E143 T184 Y187 M224 G225 T230 L231 L232R139-L228 HydrophobicContact CG-CD1 4.23Å; A142-L228 HydrophobicContact CB-CD1 4.33Å; A142-L228 HydrophobicContact CB-CD2 3.92Å; E143-L228 HydrophobicContact CB-CD2 4.4Å; E143-L228 HydrophobicContact CG-CD1 4.33Å; E143-L228 HydrophobicContact CG-CD2 3.7Å; E143-L228 HydrophobicContact CG-CG 3.89Å; T184-L228 HydrophobicContact CG2-CB 3.97Å; T184-L228 HydrophobicContact CG2-CD1 4.16Å; T184-L228 HydrophobicContact CG2-CG 4.44Å; Y187-L228 HydrophobicContact CD1-CD1 4.28Å; M224-L228 HydrophobicContact CG-CB 3.69Å; M224-L228 HydrophobicContact CG-CD1 4.43Å; M224-L228 WeakPolarHBondContact O-CD1 3.31Å; M224-L228 HydrophobicContact SD-CB 4.38Å; G225-L228 PolarHBondContact O-N 3.07Å; L228-T230 PolarHBondContact O-N 3.19Å; L228-L231 WeakPolarHBondContact O-CB 3.24Å; L228-L231 PolarHBondContact O-N 3.07Å; L228-L232 WeakPolarHBondContact O-CG 3.43Å; L228-L232 PolarHBondContact O-N 3.18Å
229E88.7Confident78.7Confident29 Ų2934.5 Ų34.514%0.13620%0.197CC..Hα-helixtrans-57.5-49170.2-73.7-171.5-152.300112.2M224 G225 L231 L232 R233 V267M224-E229 HydrophobicContact CB-CG 4.48Å; M224-E229 HydrophobicContact CE-CB 4.24Å; M224-E229 HydrophobicContact CE-CG 3.42Å; M224-E229 VanDerWaalsContact CE-CG 3.42Å; M224-E229 HydrophobicContact CG-CG 4.41Å; G225-E229 PolarHBondContact O-N 3.09Å; G225-E229 VanDerWaalsContact O-N 3.08Å; E229-L231 VanDerWaalsContact C-N 3.32Å; E229-L231 PolarHBondContact O-N 2.88Å; E229-L232 PolarHBondContact O-N 3.43Å; E229-R233 WeakPolarHBondContact O-CG 3.39Å; E229-R233 PolarHBondContact O-N 2.86Å; E229-R233 IonicContact OE2-CZ 3.73Å; E229-R233 IonicContact OE2-NH2 3.73Å; E229-R233 PolarHBondContact OE2-NH2 3.05Å; E229-V267 HydrophobicContact CB-CG2 3.84Å; E229-V267 HydrophobicContact CG-CG2 3.64Å
230T89.2Confident81.5Confident30 Ų3031 Ų3118%0.18417%0.17CC..Hα-helixtrans-64.5-40.5-179.4-570000110.8L64 F150 I226 L228 R233 Q234L64-T230 HydrophobicContact CD1-CG2 4.16Å; L64-T230 VanDerWaalsContact CD1-OG1 3.29Å; L64-T230 WeakPolarHBondContact CD1-OG1 3.42Å; F150-T230 HydrophobicContact CZ-CG2 4.22Å; I226-T230 VanDerWaalsContact O-CB 3.25Å; I226-T230 WeakPolarHBondContact O-CB 3.42Å; I226-T230 PolarHBondContact O-N 3.06Å; I226-T230 PolarHBondContact O-OG1 3.27Å; L228-T230 PolarHBondContact O-N 3.19Å; T230-R233 PolarHBondContact O-N 3.01Å; T230-Q234 WeakPolarHBondContact O-CB 3.27Å; T230-Q234 PolarHBondContact O-N 2.61Å
231L92.3Very high84.1Confident0 Ų034.9 Ų34.90%017%0.172CC..Hα-helixtrans-57.4-55.1175.2174.483.7000111.1A146 F150 Y177 S180 T181 L227 L228 E229 R233 Q234 V235A146-L231 HydrophobicContact CB-CB 4.21Å; A146-L231 HydrophobicContact CB-CD1 3.82Å; A146-L231 HydrophobicContact CB-CD2 4.13Å; A146-L231 HydrophobicContact CB-CG 4.26Å; F150-L231 HydrophobicContact CE1-CD1 4.43Å; F150-L231 HydrophobicContact CZ-CB 3.93Å; F150-L231 HydrophobicContact CZ-CD1 4.39Å; Y177-L231 HydrophobicContact CD1-CD1 3.7Å; Y177-L231 HydrophobicContact CE1-CD1 4.03Å; S180-L231 WeakPolarHBondContact OG-CD2 3.35Å; T181-L231 HydrophobicContact CG2-CD2 4.23Å; T181-L231 HydrophobicContact CG2-CG 4.42Å; L227-L231 VanDerWaalsContact O-CB 3.28Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 PolarHBondContact O-N 3.04Å; L228-L231 WeakPolarHBondContact O-CB 3.24Å; L228-L231 PolarHBondContact O-N 3.07Å; E229-L231 VanDerWaalsContact C-N 3.32Å; E229-L231 PolarHBondContact O-N 2.88Å; L231-R233 PolarHBondContact O-N 3.5Å; L231-Q234 PolarHBondContact O-N 3.18Å; L231-V235 HydrophobicContact CD1-CG2 3.52Å; L231-V235 HydrophobicContact CG-CG2 3.87Å; L231-V235 WeakPolarHBondContact O-CG2 3.1Å; L231-V235 PolarHBondContact O-N 2.72Å
232L91.2Very high85.9Confident0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-59.1-34.6-176-70.2179.1000111.8T181 T184 L185 L188 M224 L228 E229 P236 I255 V259 V267 L271T181-L232 HydrophobicContact CG2-CD2 4.22Å; T184-L232 HydrophobicContact CG2-CD1 3.91Å; T184-L232 HydrophobicContact CG2-CD2 4.13Å; T184-L232 HydrophobicContact CG2-CG 4.06Å; L185-L232 HydrophobicContact CD2-CD2 4.5Å; L188-L232 HydrophobicContact CD1-CD1 4.43Å; M224-L232 HydrophobicContact CE-CD1 3.98Å; M224-L232 HydrophobicContact SD-CD1 3.76Å; L228-L232 WeakPolarHBondContact O-CG 3.43Å; L228-L232 PolarHBondContact O-N 3.18Å; E229-L232 PolarHBondContact O-N 3.43Å; L232-P236 WeakPolarHBondContact O-CD 3.12Å; L232-I255 HydrophobicContact CD2-CD1 4.44Å; L232-I255 HydrophobicContact CD2-CG2 4.25Å; L232-V259 HydrophobicContact CD1-CG2 4.06Å; L232-V267 HydrophobicContact CB-CG1 3.86Å; L232-V267 HydrophobicContact CD1-CG1 4.18Å; L232-L271 WeakPolarHBondContact O-CD2 3.03Å
233R90.2Very high87.3Confident58 Ų5833 Ų3322%0.21918%0.176CC..Hα-helixtrans-72.5-38.3173.7-64.6174.3-170.7162.716.2112.9E229 T230 L231 L237 V267 V270E229-R233 WeakPolarHBondContact O-CG 3.39Å; E229-R233 PolarHBondContact O-N 2.86Å; E229-R233 IonicContact OE2-CZ 3.73Å; E229-R233 IonicContact OE2-NH2 3.73Å; E229-R233 PolarHBondContact OE2-NH2 3.05Å; T230-R233 PolarHBondContact O-N 3.01Å; L231-R233 PolarHBondContact O-N 3.5Å; R233-L237 WeakPolarHBondContact O-CD1 3.39Å; R233-L237 WeakPolarHBondContact O-CG 3.33Å; R233-V267 HydrophobicContact CG-CG1 4.41Å; R233-V270 HydrophobicContact CG-CG1 4.09Å
234Q89.2Confident88.2Confident46 Ų4633 Ų3322%0.21517%0.173CC..Hα-helixtrans-83.9-34.6-172-176.2168.6-7.800113.6E153 T230 L231 L237 S238E153-Q234 PolarHBondContact OE2-NE2 3.49Å; T230-Q234 WeakPolarHBondContact O-CB 3.27Å; T230-Q234 PolarHBondContact O-N 2.61Å; L231-Q234 PolarHBondContact O-N 3.18Å; Q234-L237 WeakPolarHBondContact O-CB 3.15Å; Q234-L237 PolarHBondContact O-N 3.08Å; Q234-S238 PolarHBondContact O-N 3.26Å
235V91.4Very high88.8Confident1 Ų134.1 Ų34.11%0.00618%0.179CC..Hα-helixtrans-59-53.7-174.5170.50000111.7Y177 T181 L231 L237 S238 F239Y177-V235 HydrophobicContact CD1-CG2 3.79Å; Y177-V235 HydrophobicContact CD2-CG2 4.05Å; Y177-V235 HydrophobicContact CE1-CG2 4.41Å; Y177-V235 HydrophobicContact CG-CG2 3.6Å; T181-V235 HydrophobicContact CG2-CB 4.04Å; T181-V235 HydrophobicContact CG2-CG1 3.97Å; T181-V235 HydrophobicContact CG2-CG2 3.9Å; L231-V235 HydrophobicContact CD1-CG2 3.52Å; L231-V235 HydrophobicContact CG-CG2 3.87Å; L231-V235 WeakPolarHBondContact O-CG2 3.1Å; L231-V235 PolarHBondContact O-N 2.72Å; V235-L237 VanDerWaalsContact C-N 3.3Å; V235-L237 PolarHBondContact O-N 3.13Å; V235-S238 WeakPolarHBondContact O-CB 2.97Å; V235-S238 PolarHBondContact O-N 3.13Å; V235-S238 VanDerWaalsContact O-N 3.1Å; V235-S238 PolarHBondContact O-OG 3Å; V235-F239 HydrophobicContact CG1-CD2 4.28Å; V235-F239 HydrophobicContact CG1-CE2 3.95Å; V235-F239 WeakPolarHBondContact O-CD2 3.23Å; V235-F239 PolarHBondContact O-N 3.33Å
236P92.1Very high89.2Confident0 Ų036.6 Ų36.60%019%0.19CC..Hα-helixtrans-59.6-39.2177.1-25.436.7000113L232 S238 F239 V240 Y252 I255L232-P236 WeakPolarHBondContact O-CD 3.12Å; P236-S238 VanDerWaalsContact C-N 3.31Å; P236-S238 PolarHBondContact O-N 2.72Å; P236-F239 WeakPolarHBondContact O-CB 3.19Å; P236-F239 PolarHBondContact O-N 3.17Å; P236-F239 VanDerWaalsContact O-N 3.16Å; P236-V240 WeakPolarHBondContact O-CG2 3.38Å; P236-V240 PolarHBondContact O-N 3.1Å; P236-Y252 HydrophobicContact CB-CD1 3.94Å; P236-Y252 HydrophobicContact CB-CD2 3.8Å; P236-Y252 HydrophobicContact CB-CE1 3.53Å; P236-Y252 HydrophobicContact CB-CE2 3.38Å; P236-Y252 HydrophobicContact CB-CG 4.06Å; P236-Y252 HydrophobicContact CG-CD1 3.98Å; P236-Y252 HydrophobicContact CG-CE1 3.8Å; P236-Y252 HydrophobicContact CG-CE2 4.42Å; P236-Y252 HydrophobicContact CG-CG 4.36Å; P236-I255 HydrophobicContact CG-CD1 4.07Å
237L90.5Very high89.4Confident56 Ų5639.6 Ų39.629%0.29320%0.203SC..Hα-helixtrans-62.4-35.1176.2-68.8176.4000112.8R233 Q234 V235 F239 V240 R241R233-L237 WeakPolarHBondContact O-CD1 3.39Å; R233-L237 WeakPolarHBondContact O-CG 3.33Å; Q234-L237 WeakPolarHBondContact O-CB 3.15Å; Q234-L237 PolarHBondContact O-N 3.08Å; V235-L237 VanDerWaalsContact C-N 3.3Å; V235-L237 PolarHBondContact O-N 3.13Å; L237-F239 VanDerWaalsContact C-N 3.31Å; L237-F239 PolarHBondContact O-N 2.97Å; L237-V240 WeakPolarHBondContact O-CB 3.24Å; L237-V240 PolarHBondContact O-N 3.03Å; L237-R241 WeakPolarHBondContact O-CG 3.11Å; L237-R241 PolarHBondContact O-N 2.98Å
238S88.7Confident89.5Confident18 Ų1839.5 Ų39.513%0.12620%0.203CC..Hα-helixtrans-62.3-39.5174.980.30000111.6Q234 V235 P236 R241 S242Q234-S238 PolarHBondContact O-N 3.26Å; V235-S238 WeakPolarHBondContact O-CB 2.97Å; V235-S238 PolarHBondContact O-N 3.13Å; V235-S238 VanDerWaalsContact O-N 3.1Å; V235-S238 PolarHBondContact O-OG 3Å; P236-S238 VanDerWaalsContact C-N 3.31Å; P236-S238 PolarHBondContact O-N 2.72Å; S238-R241 PolarHBondContact O-N 3.26Å; S238-S242 WeakPolarHBondContact O-CB 3.43Å; S238-S242 PolarHBondContact O-N 3.42Å
239F88.8Confident89.6Confident12 Ų1240 Ų405%0.05321%0.206CC..Hα-helixtrans-65.8-40.8173.8-77.3-86.2000111.6T174 M178 V235 P236 L237 S242 G243 H244 Q247 A248 L251T174-F239 HydrophobicContact CG2-CE1 4.1Å; T174-F239 HydrophobicContact CG2-CZ 3.72Å; M178-F239 HydrophobicContact SD-CE2 4.22Å; M178-F239 HydrophobicContact SD-CZ 4.07Å; V235-F239 HydrophobicContact CG1-CD2 4.28Å; V235-F239 HydrophobicContact CG1-CE2 3.95Å; V235-F239 WeakPolarHBondContact O-CD2 3.23Å; V235-F239 PolarHBondContact O-N 3.33Å; P236-F239 WeakPolarHBondContact O-CB 3.19Å; P236-F239 PolarHBondContact O-N 3.17Å; P236-F239 VanDerWaalsContact O-N 3.16Å; L237-F239 VanDerWaalsContact C-N 3.31Å; L237-F239 PolarHBondContact O-N 2.97Å; F239-S242 WeakPolarHBondContact CA-OG 3.37Å; F239-S242 PolarHBondContact O-N 2.83Å; F239-S242 PolarHBondContact O-OG 2.99Å; F239-G243 PolarHBondContact O-N 3.27Å; F239-G243 VanDerWaalsContact O-N 3.16Å; F239-H244 HydrophobicContact CD1-CB 4.16Å; F239-H244 PolarHBondContact O-N 2.82Å; F239-Q247 HydrophobicContact CD1-CB 4.19Å; F239-A248 HydrophobicContact CB-CB 3.82Å; F239-L251 HydrophobicContact CD1-CD1 4.4Å; F239-L251 HydrophobicContact CD2-CD1 3.35Å; F239-L251 HydrophobicContact CE1-CD1 4.29Å; F239-L251 HydrophobicContact CE2-CD1 3.22Å; F239-L251 HydrophobicContact CG-CD1 3.96Å; F239-L251 HydrophobicContact CZ-CD1 3.71Å
240V88.5Confident89.7Confident40 Ų4041.6 Ų41.624%0.24222%0.216CC..Hα-helixtrans-59.2-48.6173.4177.80000111.2P236 L237 S242 G243 L245 A248 L278P236-V240 WeakPolarHBondContact O-CG2 3.38Å; P236-V240 PolarHBondContact O-N 3.1Å; L237-V240 WeakPolarHBondContact O-CB 3.24Å; L237-V240 PolarHBondContact O-N 3.03Å; V240-S242 PolarHBondContact O-N 3.33Å; V240-G243 PolarHBondContact O-N 2.86Å; V240-L245 HydrophobicContact CG1-CD2 4.11Å; V240-A248 HydrophobicContact CG2-CB 3.65Å; V240-L278 HydrophobicContact CB-CD1 4.45Å; V240-L278 HydrophobicContact CG1-CD1 3.84Å; V240-L278 HydrophobicContact CG2-CD1 3.68Å; V240-L278 HydrophobicContact CG2-CD2 3.79Å; V240-L278 HydrophobicContact CG2-CG 4.4Å
241R86.6Confident89.8Confident177 Ų17741 Ų4167%0.66821%0.211SC*.Hα-helixtrans-60.4-32.1176.8-70.3174.3-173.41672.2112.7E153 L237 S238 G243E153-R241 IonicContact OE1-NH1 3.14Å; E153-R241 PolarHBondContact OE1-NH1 2.97Å; L237-R241 WeakPolarHBondContact O-CG 3.11Å; L237-R241 PolarHBondContact O-N 2.98Å; S238-R241 PolarHBondContact O-N 3.26Å; R241-G243 VanDerWaalsContact C-N 3.29Å
242S85.1Confident89.8Confident47 Ų4741 Ų4133%0.32921%0.211SC..Hα-helixtrans-78.8-9.4176.778.70000114.1S238 F239 V240 H244S238-S242 WeakPolarHBondContact O-CB 3.43Å; S238-S242 PolarHBondContact O-N 3.42Å; F239-S242 WeakPolarHBondContact CA-OG 3.37Å; F239-S242 PolarHBondContact O-N 2.83Å; F239-S242 PolarHBondContact O-OG 2.99Å; V240-S242 PolarHBondContact O-N 3.33Å; S242-H244 PolarHBondContact OG-ND1 3.05Å
243G85.3Confident89.7Confident48 Ų4842.8 Ų42.850%0.49522%0.218SC..THydrogen-bonded Turntrans87.81.8-178.900000115.3F239 V240 R241 L245F239-G243 PolarHBondContact O-N 3.27Å; F239-G243 VanDerWaalsContact O-N 3.16Å; V240-G243 PolarHBondContact O-N 2.86Å; R241-G243 VanDerWaalsContact C-N 3.29Å; G243-L245 VanDerWaalsContact C-N 3.28Å; G243-L245 PolarHBondContact O-N 3.01Å
244H89.1Confident89.6Confident85 Ų8545.1 Ų45.139%0.39423%0.231SC..  trans-85.865.6180-62.789.5000111.1F239 S242 D246 Q247 A248F239-H244 HydrophobicContact CD1-CB 4.16Å; F239-H244 PolarHBondContact O-N 2.82Å; S242-H244 PolarHBondContact OG-ND1 3.05Å; H244-D246 PolarHBondContact O-N 3.29Å; H244-Q247 HydrophobicContact CB-CB 4.28Å; H244-Q247 PolarHBondContact O-N 3.34Å; H244-A248 PolarHBondContact O-N 3.46Å
245L91.4Very high89.5Confident24 Ų2443.1 Ų43.113%0.12622%0.222CC..Hα-helixtrans-62.1-41.7-172.4-55.5-178.5000113.5V240 G243 Q247 A248 V249 L278 A282V240-L245 HydrophobicContact CG1-CD2 4.11Å; G243-L245 VanDerWaalsContact C-N 3.28Å; G243-L245 PolarHBondContact O-N 3.01Å; L245-Q247 VanDerWaalsContact C-N 3.33Å; L245-Q247 PolarHBondContact O-N 3.41Å; L245-A248 WeakPolarHBondContact O-CB 3.29Å; L245-A248 PolarHBondContact O-N 2.89Å; L245-V249 WeakPolarHBondContact O-CG2 3.42Å; L245-V249 PolarHBondContact O-N 2.82Å; L245-L278 HydrophobicContact CD2-CD1 4.2Å; L245-A282 HydrophobicContact CD1-CB 3.9Å; L245-A282 HydrophobicContact CD2-CB 4.36Å
246D90.8Very high89.4Confident57 Ų5744 Ų4431%0.30523%0.226SC..Hα-helixtrans-65.2-39.7-177.7-53.3-48000111.4H244 V249 D250 R287H244-D246 PolarHBondContact O-N 3.29Å; D246-V249 PolarHBondContact O-N 3.26Å; D246-D250 WeakPolarHBondContact O-CB 3.46Å; D246-D250 PolarHBondContact O-N 3.25Å; D246-R287 VanDerWaalsContact CG-NH2 3.33Å; D246-R287 IonicContact OD1-CZ 3.31Å; D246-R287 IonicContact OD1-NE 3.76Å; D246-R287 PolarHBondContact OD1-NE 3.36Å; D246-R287 IonicContact OD1-NH2 3.13Å; D246-R287 PolarHBondContact OD1-NH2 3.19Å; D246-R287 IonicContact OD2-CZ 3.85Å; D246-R287 IonicContact OD2-NE 2.69Å; D246-R287 PolarHBondContact OD2-NE 3.08Å; D246-R287 IonicContact OD2-NH2 3.66Å; D246-R287 PolarHBondContact OD2-NH2 2.64Å
247Q89.1Confident88.9Confident102 Ų10247.8 Ų47.848%0.47725%0.251SS..Hα-helixtrans-67-40.6175-67.6177.4-800110.8F239 H244 L245 V249 D250 L251F239-Q247 HydrophobicContact CD1-CB 4.19Å; H244-Q247 HydrophobicContact CB-CB 4.28Å; H244-Q247 PolarHBondContact O-N 3.34Å; L245-Q247 VanDerWaalsContact C-N 3.33Å; L245-Q247 PolarHBondContact O-N 3.41Å; Q247-V249 PolarHBondContact O-N 2.94Å; Q247-D250 PolarHBondContact O-N 3.14Å; Q247-L251 WeakPolarHBondContact O-CB 3.41Å; Q247-L251 WeakPolarHBondContact O-CD1 3.43Å; Q247-L251 WeakPolarHBondContact O-CG 3.46Å; Q247-L251 PolarHBondContact O-N 3.26Å
248A92Very high88.4Confident0 Ų046.9 Ų46.90%025%0.246CC..Hα-helixtrans-60-46.1175.900000111.9F239 V240 H244 L245 L251 Y252 L278F239-A248 HydrophobicContact CB-CB 3.82Å; V240-A248 HydrophobicContact CG2-CB 3.65Å; H244-A248 PolarHBondContact O-N 3.46Å; L245-A248 WeakPolarHBondContact O-CB 3.29Å; L245-A248 PolarHBondContact O-N 2.89Å; A248-L251 PolarHBondContact O-N 3.49Å; A248-Y252 WeakPolarHBondContact O-CD2 3.47Å; A248-Y252 PolarHBondContact O-N 3.38Å; A248-L278 HydrophobicContact CB-CD2 4.25Å
249V92.3Very high88Confident11 Ų1146 Ų467%0.06724%0.24CC..Hα-helixtrans-62.9-47.2177.5171.70000111.2L245 D246 Q247 L251 Y252 R253 L275 L278 L279 V283L245-V249 WeakPolarHBondContact O-CG2 3.42Å; L245-V249 PolarHBondContact O-N 2.82Å; D246-V249 PolarHBondContact O-N 3.26Å; Q247-V249 PolarHBondContact O-N 2.94Å; V249-L251 VanDerWaalsContact C-N 3.27Å; V249-L251 PolarHBondContact O-N 3.24Å; V249-Y252 PolarHBondContact O-N 2.84Å; V249-R253 WeakPolarHBondContact O-CG 3.39Å; V249-R253 PolarHBondContact O-N 2.92Å; V249-L275 HydrophobicContact CB-CD1 4.49Å; V249-L275 HydrophobicContact CG1-CD1 4.26Å; V249-L275 HydrophobicContact CG2-CD1 4.22Å; V249-L278 HydrophobicContact CG2-CD2 3.77Å; V249-L279 HydrophobicContact CG2-CD2 4.48Å; V249-V283 HydrophobicContact CG2-CG2 4.16Å
250D90.4Very high87.1Confident62 Ų6248 Ų4833%0.33225%0.252SS..Hα-helixtrans-61.3-37.1177.3-79.9-6000111.2D246 Q247 R253 Q254 K292D246-D250 WeakPolarHBondContact O-CB 3.46Å; D246-D250 PolarHBondContact O-N 3.25Å; Q247-D250 PolarHBondContact O-N 3.14Å; D250-R253 PolarHBondContact O-N 3.13Å; D250-Q254 WeakPolarHBondContact O-CB 3.43Å; D250-Q254 PolarHBondContact O-N 2.9Å; D250-K292 IonicContact OD2-NZ 2.73Å; D250-K292 PolarHBondContact OD2-NZ 2.92Å
251L90.1Very high86.3Confident16 Ų1646.4 Ų46.48%0.08424%0.242CC..Hα-helixtrans-67.7-44.4175.5-73169.4000112.9M178 F239 Q247 A248 V249 R253 Q254 I255M178-L251 HydrophobicContact CE-CD2 3.62Å; M178-L251 HydrophobicContact SD-CD1 4.23Å; M178-L251 HydrophobicContact SD-CD2 3.69Å; F239-L251 HydrophobicContact CD1-CD1 4.4Å; F239-L251 HydrophobicContact CD2-CD1 3.35Å; F239-L251 HydrophobicContact CE1-CD1 4.29Å; F239-L251 HydrophobicContact CE2-CD1 3.22Å; F239-L251 HydrophobicContact CG-CD1 3.96Å; F239-L251 HydrophobicContact CZ-CD1 3.71Å; Q247-L251 WeakPolarHBondContact O-CB 3.41Å; Q247-L251 WeakPolarHBondContact O-CD1 3.43Å; Q247-L251 WeakPolarHBondContact O-CG 3.46Å; Q247-L251 PolarHBondContact O-N 3.26Å; A248-L251 PolarHBondContact O-N 3.49Å; V249-L251 VanDerWaalsContact C-N 3.27Å; V249-L251 PolarHBondContact O-N 3.24Å; L251-R253 VanDerWaalsContact C-N 3.28Å; L251-R253 PolarHBondContact O-N 3.18Å; L251-Q254 PolarHBondContact O-N 2.99Å; L251-I255 VanDerWaalsContact O-CG1 3.26Å; L251-I255 WeakPolarHBondContact O-CG1 3.49Å; L251-I255 PolarHBondContact O-N 3.2Å
252Y92.7Very high85.5Confident1 Ų141.8 Ų41.80%0.00423%0.234CC..Hα-helixtrans-56.7-46.2173.4-80-69.3000110.8P236 A248 V249 Q254 I255 L256 L271 Q274 L275 L278P236-Y252 HydrophobicContact CB-CD1 3.94Å; P236-Y252 HydrophobicContact CB-CD2 3.8Å; P236-Y252 HydrophobicContact CB-CE1 3.53Å; P236-Y252 HydrophobicContact CB-CE2 3.38Å; P236-Y252 HydrophobicContact CB-CG 4.06Å; P236-Y252 HydrophobicContact CG-CD1 3.98Å; P236-Y252 HydrophobicContact CG-CE1 3.8Å; P236-Y252 HydrophobicContact CG-CE2 4.42Å; P236-Y252 HydrophobicContact CG-CG 4.36Å; A248-Y252 WeakPolarHBondContact O-CD2 3.47Å; A248-Y252 PolarHBondContact O-N 3.38Å; V249-Y252 PolarHBondContact O-N 2.84Å; Y252-Q254 VanDerWaalsContact C-N 3.3Å; Y252-Q254 PolarHBondContact O-N 3.02Å; Y252-I255 PolarHBondContact O-N 3.4Å; Y252-L256 WeakPolarHBondContact O-CB 3.32Å; Y252-L256 VanDerWaalsContact O-CG 3.29Å; Y252-L256 WeakPolarHBondContact O-CG 3.23Å; Y252-L256 PolarHBondContact O-N 3Å; Y252-L271 HydrophobicContact CD1-CB 4.26Å; Y252-L271 HydrophobicContact CD1-CD2 3.88Å; Y252-L271 HydrophobicContact CE1-CB 4.47Å; Y252-L271 HydrophobicContact CE1-CD2 3.62Å; Y252-Q274 HydrophobicContact CE1-CB 3.94Å; Y252-Q274 WeakPolarHBondContact OH-CB 3.46Å; Y252-Q274 PolarHBondContact OH-OE1 2.9Å; Y252-L275 HydrophobicContact CD1-CB 4.36Å; Y252-L275 HydrophobicContact CD2-CB 4.35Å; Y252-L275 HydrophobicContact CD2-CD1 3.88Å; Y252-L275 HydrophobicContact CG-CB 4.11Å; Y252-L275 HydrophobicContact CG-CD1 4.13Å; Y252-L278 HydrophobicContact CD2-CD2 4.29Å; Y252-L278 HydrophobicContact CE2-CD2 3.96Å
253R90.4Very high85Confident38 Ų3840.8 Ų40.814%0.14322%0.224CC..Hα-helixtrans-64.7-31.3178.8-70.4170.3175.2173.3-5.5113.1V249 D250 L251 P257 L275 K289 E333V249-R253 WeakPolarHBondContact O-CG 3.39Å; V249-R253 PolarHBondContact O-N 2.92Å; D250-R253 PolarHBondContact O-N 3.13Å; L251-R253 VanDerWaalsContact C-N 3.28Å; L251-R253 PolarHBondContact O-N 3.18Å; R253-P257 WeakPolarHBondContact O-CD 3.41Å; R253-L275 HydrophobicContact CG-CD2 4.43Å; R253-K289 PolarHBondContact NH1-O 2.78Å; R253-K289 PolarHBondContact NH2-O 3.45Å; R253-E333 IonicContact CZ-OE1 2.67Å; R253-E333 IonicContact CZ-OE2 3.78Å; R253-E333 IonicContact NE-OE1 3.54Å; R253-E333 PolarHBondContact NE-OE1 3.36Å; R253-E333 IonicContact NE-OE2 3.16Å; R253-E333 VanDerWaalsContact NH2-CD 3.34Å; R253-E333 IonicContact NH2-OE1 2.79Å; R253-E333 PolarHBondContact NH2-OE1 3.49Å; R253-E333 VanDerWaalsContact NH2-OE1 3.13Å; R253-E333 IonicContact NH2-OE2 2.78Å; R253-E333 PolarHBondContact NH2-OE2 2.88Å
254Q86.6Confident84.8Confident106 Ų10638.5 Ų38.550%0.49520%0.2SC..Hα-helixtrans-72.8-36.8174.6-175.1-179.6-1.400112.2D250 L251 Y252D250-Q254 WeakPolarHBondContact O-CB 3.43Å; D250-Q254 PolarHBondContact O-N 2.9Å; L251-Q254 PolarHBondContact O-N 2.99Å; Y252-Q254 VanDerWaalsContact C-N 3.3Å; Y252-Q254 PolarHBondContact O-N 3.02Å
255I88.9Confident84.4Confident4 Ų437.9 Ų37.92%0.02120%0.195CC..Hα-helixtrans-77.4-44.3-176.7-67.6166.1000111.2L185 L232 P236 L251 Y252 I258 V259 L271L185-I255 HydrophobicContact CD1-CG1 4.34Å; L185-I255 HydrophobicContact CD2-CG2 4.27Å; L232-I255 HydrophobicContact CD2-CD1 4.44Å; L232-I255 HydrophobicContact CD2-CG2 4.25Å; P236-I255 HydrophobicContact CG-CD1 4.07Å; L251-I255 VanDerWaalsContact O-CG1 3.26Å; L251-I255 WeakPolarHBondContact O-CG1 3.49Å; L251-I255 PolarHBondContact O-N 3.2Å; Y252-I255 PolarHBondContact O-N 3.4Å; I255-I258 PolarHBondContact O-N 3.02Å; I255-I258 VanDerWaalsContact O-N 3.09Å; I255-V259 HydrophobicContact CG2-CG2 3.47Å; I255-V259 VanDerWaalsContact CG2-CG2 3.47Å; I255-V259 WeakPolarHBondContact O-CG2 3.46Å; I255-V259 PolarHBondContact O-N 3.34Å; I255-V259 VanDerWaalsContact O-N 3.15Å; I255-L271 HydrophobicContact CB-CD1 4.42Å; I255-L271 HydrophobicContact CG2-CD1 3.46Å; I255-L271 VanDerWaalsContact CG2-CD1 3.46Å
256L88.2Confident83.8Confident20 Ų2042 Ų4211%0.10521%0.208CC..Hα-helixtrans-52.3-47.9-170.9-80.1170.1000115Y252 I258 V259 D260 Q268 L271 L275 L337Y252-L256 WeakPolarHBondContact O-CB 3.32Å; Y252-L256 VanDerWaalsContact O-CG 3.29Å; Y252-L256 WeakPolarHBondContact O-CG 3.23Å; Y252-L256 PolarHBondContact O-N 3Å; L256-I258 PolarHBondContact O-N 3.46Å; L256-V259 PolarHBondContact O-N 3.12Å; L256-D260 PolarHBondContact O-N 3.39Å; L256-Q268 HydrophobicContact CD2-CG 4.13Å; L256-L271 HydrophobicContact CD2-CB 3.76Å; L256-L275 HydrophobicContact CD1-CD2 3.9Å; L256-L337 HydrophobicContact CD1-CD2 3.92Å
257P82.3Confident83.5Confident80 Ų8039.3 Ų39.352%0.51919%0.194SC..Hα-helixtrans-64.5-26-178.7-22.434000113.9R253R253-P257 WeakPolarHBondContact O-CD 3.41Å
258I80Confident83.5Confident37 Ų3735.2 Ų35.219%0.1918%0.175CC..Hα-helixtrans-87.3-30.1-176.9-60.8167.4000110.7L185 Q189 I255 L256 D260L185-I258 HydrophobicContact CB-CD1 4.12Å; L185-I258 HydrophobicContact CB-CG2 4.03Å; L185-I258 HydrophobicContact CD1-CD1 3.93Å; L185-I258 HydrophobicContact CD2-CB 3.86Å; L185-I258 HydrophobicContact CD2-CD1 4.12Å; L185-I258 HydrophobicContact CD2-CG2 3.67Å; L185-I258 HydrophobicContact CG-CD1 4.27Å; L185-I258 HydrophobicContact CG-CG2 4.41Å; Q189-I258 HydrophobicContact CG-CG2 3.93Å; I255-I258 PolarHBondContact O-N 3.02Å; I255-I258 VanDerWaalsContact O-N 3.09Å; L256-I258 PolarHBondContact O-N 3.46Å; I258-D260 VanDerWaalsContact C-N 3.26Å; I258-D260 PolarHBondContact O-N 2.98Å
259V79.3Confident83.2Confident0 Ų035.4 Ų35.40%018%0.176CC..Hα-helixtrans-79.9-8.9-180-177.70000112.2L185 L188 L232 I255 L256 S261 G264 V267 Q268L185-V259 HydrophobicContact CD2-CG2 4.3Å; L188-V259 HydrophobicContact CD1-CG2 4.16Å; L232-V259 HydrophobicContact CD1-CG2 4.06Å; I255-V259 HydrophobicContact CG2-CG2 3.47Å; I255-V259 VanDerWaalsContact CG2-CG2 3.47Å; I255-V259 WeakPolarHBondContact O-CG2 3.46Å; I255-V259 PolarHBondContact O-N 3.34Å; I255-V259 VanDerWaalsContact O-N 3.15Å; L256-V259 PolarHBondContact O-N 3.12Å; V259-S261 PolarHBondContact O-N 3.49Å; V259-G264 WeakPolarHBondContact CG1-O 3.37Å; V259-G264 CarbonylContact O-C 3.26Å; V259-G264 VanDerWaalsContact O-C 3.26Å; V259-G264 VanDerWaalsContact O-CA 3.23Å; V259-G264 WeakPolarHBondContact O-CA 3.12Å; V259-V267 HydrophobicContact CG1-CB 3.92Å; V259-V267 HydrophobicContact CG1-CG1 4.05Å; V259-Q268 HydrophobicContact CG1-CB 3.95Å
260D69.8Low82.9Confident54 Ų5436.8 Ų36.829%0.28918%0.184SC..THydrogen-bonded Turntrans-60.7-12.9174.2-16638.3000114.6L256 I258 Q268 L304L256-D260 PolarHBondContact O-N 3.39Å; I258-D260 VanDerWaalsContact C-N 3.26Å; I258-D260 PolarHBondContact O-N 2.98Å; D260-Q268 PolarHBondContact OD1-NE2 3.31Å; D260-Q268 PolarHBondContact OD1-OE1 2.83Å; D260-L304 WeakPolarHBondContact OD2-CD2 3.41Å
261S71.3Confident82.9Confident6 Ų633.8 Ų33.84%0.04217%0.169CC..SBendtrans-52.8152.4170.467.30000112.1V259 I263 G264V259-S261 PolarHBondContact O-N 3.49Å; S261-I263 PolarHBondContact O-N 3.33Å; S261-G264 PolarHBondContact O-N 2.94Å
262T69.7Low83Confident80 Ų8033.1 Ų33.149%0.49117%0.165SC..THydrogen-bonded Turntrans-53-25.9178.948.60000113.8
263I75.7Confident82.7Confident25 Ų2533.9 Ų33.913%0.12817%0.17CC..THydrogen-bonded Turntrans-79.4-30.6-179.7-55.7163.3000111.7L188 C191 I195 P222 M224 S261L188-I263 HydrophobicContact CD2-CB 4.25Å; L188-I263 HydrophobicContact CD2-CG2 3.99Å; C191-I263 HydrophobicContact CB-CD1 3.46Å; C191-I263 VanDerWaalsContact CB-CD1 3.46Å; I195-I263 HydrophobicContact CD1-CD1 3.82Å; I195-I263 HydrophobicContact CD1-CG1 4.2Å; P222-I263 HydrophobicContact CG-CD1 3.83Å; P222-I263 HydrophobicContact CG-CG1 4.46Å; P222-I263 VanDerWaalsContact O-CG2 3.25Å; P222-I263 WeakPolarHBondContact O-CG2 3.49Å; M224-I263 HydrophobicContact CB-CG2 3.83Å; S261-I263 PolarHBondContact O-N 3.33Å
264G80.1Confident82.8Confident0 Ų033.9 Ų33.90%017%0.172CC..THydrogen-bonded Turntrans-96.8-8.8-169.100000115.9V259 S261 R266 V267 Q268V259-G264 WeakPolarHBondContact CG1-O 3.37Å; V259-G264 CarbonylContact O-C 3.26Å; V259-G264 VanDerWaalsContact O-C 3.26Å; V259-G264 VanDerWaalsContact O-CA 3.23Å; V259-G264 WeakPolarHBondContact O-CA 3.12Å; S261-G264 PolarHBondContact O-N 2.94Å; G264-R266 VanDerWaalsContact C-N 3.35Å; G264-R266 PolarHBondContact O-N 2.87Å; G264-R266 VanDerWaalsContact O-N 3.12Å; G264-V267 WeakPolarHBondContact O-CA 3.43Å; G264-V267 WeakPolarHBondContact O-CB 3.41Å; G264-V267 PolarHBondContact O-N 2.85Å; G264-Q268 PolarHBondContact O-N 3.47Å
265R81.8Confident83.1Confident72 Ų7228.9 Ų28.927%0.27215%0.149SC..Hα-helixtrans-48.1-45.1-170.8-69.2-175.7179.7-179.2-2.1115.5V267 Q268 Q269 I344 H347R265-V267 VanDerWaalsContact C-N 3.28Å; R265-V267 PolarHBondContact O-N 3.17Å; R265-Q268 WeakPolarHBondContact O-CB 3.47Å; R265-Q268 PolarHBondContact O-N 3.38Å; R265-Q268 VanDerWaalsContact O-N 3.14Å; R265-Q269 PolarHBondContact O-N 3.06Å; R265-I344 HydrophobicContact CB-CG2 4.13Å; R265-H347 PolarHBondContact NH1-CE1 2.83Å; R265-H347 PolarHBondContact NH1-ND1 3.29Å; R265-H347 VanDerWaalsContact NH1-ND1 3.12Å; R265-H347 PolarHBondContact NH1-NE2 2.98Å
266R78.7Confident83.1Confident110 Ų11028.7 Ų28.742%0.41515%0.148SC..Hα-helixtrans-60.8-37.6177.6-171.2178-176.5168.73.5112.3G264 V270 E359G264-R266 VanDerWaalsContact C-N 3.35Å; G264-R266 PolarHBondContact O-N 2.87Å; G264-R266 VanDerWaalsContact O-N 3.12Å; R266-V270 WeakPolarHBondContact O-CG2 3.42Å; R266-V270 PolarHBondContact O-N 3.07Å; R266-E359 IonicContact NH2-OE1 3.73Å; R266-E359 PolarHBondContact NH2-OE1 2.97Å
267V85.3Confident83.2Confident2 Ų230.8 Ų30.81%0.01216%0.157CC..Hα-helixtrans-73.3-42.1174.9174.80000110.6M224 E229 L232 R233 V259 G264 R265 Q269 V270 L271M224-V267 HydrophobicContact CE-CB 4.07Å; M224-V267 HydrophobicContact CE-CG2 3.43Å; M224-V267 VanDerWaalsContact CE-CG2 3.43Å; E229-V267 HydrophobicContact CB-CG2 3.84Å; E229-V267 HydrophobicContact CG-CG2 3.64Å; L232-V267 HydrophobicContact CB-CG1 3.86Å; L232-V267 HydrophobicContact CD1-CG1 4.18Å; R233-V267 HydrophobicContact CG-CG1 4.41Å; V259-V267 HydrophobicContact CG1-CB 3.92Å; V259-V267 HydrophobicContact CG1-CG1 4.05Å; G264-V267 WeakPolarHBondContact O-CA 3.43Å; G264-V267 WeakPolarHBondContact O-CB 3.41Å; G264-V267 PolarHBondContact O-N 2.85Å; R265-V267 VanDerWaalsContact C-N 3.28Å; R265-V267 PolarHBondContact O-N 3.17Å; V267-Q269 VanDerWaalsContact C-N 3.32Å; V267-Q269 PolarHBondContact O-N 3.38Å; V267-V270 PolarHBondContact O-N 2.78Å; V267-L271 HydrophobicContact CG1-CD1 3.67Å; V267-L271 HydrophobicContact CG1-CG 3.9Å; V267-L271 WeakPolarHBondContact O-CB 3.29Å; V267-L271 VanDerWaalsContact O-CG 3.24Å; V267-L271 WeakPolarHBondContact O-CG 3.33Å; V267-L271 PolarHBondContact O-N 2.97Å
268Q88.1Confident83.7Confident15 Ų1527.7 Ų27.77%0.0714%0.136CC..Hα-helixtrans-53.5-49.1176.3-170.9-174.11700111.5L256 V259 D260 G264 R265 V270 L271 C272 I344L256-Q268 HydrophobicContact CD2-CG 4.13Å; V259-Q268 HydrophobicContact CG1-CB 3.95Å; D260-Q268 PolarHBondContact OD1-NE2 3.31Å; D260-Q268 PolarHBondContact OD1-OE1 2.83Å; G264-Q268 PolarHBondContact O-N 3.47Å; R265-Q268 WeakPolarHBondContact O-CB 3.47Å; R265-Q268 PolarHBondContact O-N 3.38Å; R265-Q268 VanDerWaalsContact O-N 3.14Å; Q268-V270 PolarHBondContact O-N 3.33Å; Q268-L271 PolarHBondContact O-N 3.29Å; Q268-C272 PolarHBondContact O-N 2.92Å; Q268-C272 PolarHBondContact O-SG 3.35Å; Q268-C272 VanDerWaalsContact O-SG 3.39Å; Q268-I344 HydrophobicContact CB-CD1 4.06Å; Q268-I344 HydrophobicContact CG-CD1 3.81Å
269Q85.8Confident84.2Confident5 Ų526 Ų262%0.02313%0.127CC..Hα-helixtrans-54.6-50.9177.4-174.2-152.2-11.800111.6R265 V267 L271 C272 C273 I344 V345R265-Q269 PolarHBondContact O-N 3.06Å; V267-Q269 VanDerWaalsContact C-N 3.32Å; V267-Q269 PolarHBondContact O-N 3.38Å; Q269-L271 PolarHBondContact O-N 3.21Å; Q269-C272 WeakPolarHBondContact O-CB 3.04Å; Q269-C272 PolarHBondContact O-N 3.47Å; Q269-C273 PolarHBondContact O-N 3.47Å; Q269-C273 VanDerWaalsContact O-N 3.16Å; Q269-C273 PolarHBondContact O-SG 3.22Å; Q269-C273 VanDerWaalsContact O-SG 3.39Å; Q269-I344 HydrophobicContact CB-CB 4.41Å; Q269-I344 HydrophobicContact CB-CD1 4.25Å; Q269-I344 HydrophobicContact CB-CG2 4.05Å; Q269-V345 HydrophobicContact CG-CG2 4.01Å
270V86.1Confident84.6Confident39 Ų3927.8 Ų27.824%0.23614%0.139CC..Hα-helixtrans-63.9-41.2180174.70000111.4R233 R266 V267 Q268 C273 Q274R233-V270 HydrophobicContact CG-CG1 4.09Å; R266-V270 WeakPolarHBondContact O-CG2 3.42Å; R266-V270 PolarHBondContact O-N 3.07Å; V267-V270 PolarHBondContact O-N 2.78Å; Q268-V270 PolarHBondContact O-N 3.33Å; V270-C273 PolarHBondContact O-N 3.35Å; V270-Q274 HydrophobicContact CG1-CG 4.27Å; V270-Q274 WeakPolarHBondContact O-CB 3.12Å; V270-Q274 VanDerWaalsContact O-CG 3.28Å; V270-Q274 WeakPolarHBondContact O-CG 3.44Å; V270-Q274 PolarHBondContact O-N 3.39Å
271L90.7Very high85.5Confident0 Ų034.3 Ų34.30%016%0.16CC..Hα-helixtrans-65.8-38.7178.5-67.7178.4000111.9L232 Y252 I255 L256 V267 Q268 Q269 Q274 L275L232-L271 WeakPolarHBondContact O-CD2 3.03Å; Y252-L271 HydrophobicContact CD1-CB 4.26Å; Y252-L271 HydrophobicContact CD1-CD2 3.88Å; Y252-L271 HydrophobicContact CE1-CB 4.47Å; Y252-L271 HydrophobicContact CE1-CD2 3.62Å; I255-L271 HydrophobicContact CB-CD1 4.42Å; I255-L271 HydrophobicContact CG2-CD1 3.46Å; I255-L271 VanDerWaalsContact CG2-CD1 3.46Å; L256-L271 HydrophobicContact CD2-CB 3.76Å; V267-L271 HydrophobicContact CG1-CD1 3.67Å; V267-L271 HydrophobicContact CG1-CG 3.9Å; V267-L271 WeakPolarHBondContact O-CB 3.29Å; V267-L271 VanDerWaalsContact O-CG 3.24Å; V267-L271 WeakPolarHBondContact O-CG 3.33Å; V267-L271 PolarHBondContact O-N 2.97Å; Q268-L271 PolarHBondContact O-N 3.29Å; Q269-L271 PolarHBondContact O-N 3.21Å; L271-Q274 PolarHBondContact O-N 2.51Å; L271-L275 WeakPolarHBondContact O-CB 3.38Å; L271-L275 PolarHBondContact O-N 3.39Å
272C91Very high86.3Confident1 Ų135.9 Ų35.91%0.00717%0.173CC..Hα-helixtrans-58.6-49.4173.4-76.40000111.3Q268 Q269 L275 A276 L337Q268-C272 PolarHBondContact O-N 2.92Å; Q268-C272 PolarHBondContact O-SG 3.35Å; Q268-C272 VanDerWaalsContact O-SG 3.39Å; Q269-C272 WeakPolarHBondContact O-CB 3.04Å; Q269-C272 PolarHBondContact O-N 3.47Å; C272-L275 PolarHBondContact O-N 3.43Å; C272-A276 WeakPolarHBondContact O-CB 3.46Å; C272-A276 PolarHBondContact O-N 2.94Å; C272-L337 HydrophobicContact CB-CB 4.48Å; C272-L337 HydrophobicContact CB-CD2 4.38Å
273C87.9Confident87.2Confident17 Ų1732.4 Ų32.412%0.11515%0.152CC..Hα-helixtrans-60-48.1176.4-64.20000111.7Q269 V270 L275 A276 E277Q269-C273 PolarHBondContact O-N 3.47Å; Q269-C273 VanDerWaalsContact O-N 3.16Å; Q269-C273 PolarHBondContact O-SG 3.22Å; Q269-C273 VanDerWaalsContact O-SG 3.39Å; V270-C273 PolarHBondContact O-N 3.35Å; C273-L275 VanDerWaalsContact C-N 3.35Å; C273-L275 PolarHBondContact O-N 3.5Å; C273-A276 PolarHBondContact O-N 2.97Å; C273-E277 WeakPolarHBondContact O-CB 3.4Å; C273-E277 WeakPolarHBondContact O-CG 3.3Å; C273-E277 PolarHBondContact O-N 3.33Å
274Q90.7Very high87.9Confident39 Ų3934.8 Ų34.818%0.18217%0.167CC..Hα-helixtrans-62.5-40.3-179.6-73.6176.6-7.800112.6Y252 V270 L271 L278Y252-Q274 HydrophobicContact CE1-CB 3.94Å; Y252-Q274 WeakPolarHBondContact OH-CB 3.46Å; Y252-Q274 PolarHBondContact OH-OE1 2.9Å; V270-Q274 HydrophobicContact CG1-CG 4.27Å; V270-Q274 WeakPolarHBondContact O-CB 3.12Å; V270-Q274 VanDerWaalsContact O-CG 3.28Å; V270-Q274 WeakPolarHBondContact O-CG 3.44Å; V270-Q274 PolarHBondContact O-N 3.39Å; L271-Q274 PolarHBondContact O-N 2.51Å; Q274-L278 WeakPolarHBondContact O-CB 3.35Å; Q274-L278 PolarHBondContact O-N 3.03Å
275L92.6Very high88.1Confident1 Ų139.1 Ų39.11%0.00519%0.191CC..Hα-helixtrans-67.4-44.9175.718059.1000110.9V249 Y252 R253 L256 L271 C272 C273 E277 L278 L279 L337V249-L275 HydrophobicContact CB-CD1 4.49Å; V249-L275 HydrophobicContact CG1-CD1 4.26Å; V249-L275 HydrophobicContact CG2-CD1 4.22Å; Y252-L275 HydrophobicContact CD1-CB 4.36Å; Y252-L275 HydrophobicContact CD2-CB 4.35Å; Y252-L275 HydrophobicContact CD2-CD1 3.88Å; Y252-L275 HydrophobicContact CG-CB 4.11Å; Y252-L275 HydrophobicContact CG-CD1 4.13Å; R253-L275 HydrophobicContact CG-CD2 4.43Å; L256-L275 HydrophobicContact CD1-CD2 3.9Å; L271-L275 WeakPolarHBondContact O-CB 3.38Å; L271-L275 PolarHBondContact O-N 3.39Å; C272-L275 PolarHBondContact O-N 3.43Å; C273-L275 VanDerWaalsContact C-N 3.35Å; C273-L275 PolarHBondContact O-N 3.5Å; L275-E277 VanDerWaalsContact C-N 3.32Å; L275-E277 PolarHBondContact O-N 3.18Å; L275-L278 PolarHBondContact O-N 3.48Å; L275-L279 HydrophobicContact CD1-CD1 4.38Å; L275-L279 HydrophobicContact CD1-CG 4.16Å; L275-L279 HydrophobicContact CG-CD1 4.18Å; L275-L279 HydrophobicContact CG-CG 4.41Å; L275-L279 WeakPolarHBondContact O-CB 3.43Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.36Å; L275-L279 PolarHBondContact O-N 2.74Å; L275-L337 HydrophobicContact CB-CD1 3.99Å; L275-L337 HydrophobicContact CD2-CD1 3.58Å; L275-L337 HydrophobicContact CD2-CD2 3.99Å; L275-L337 HydrophobicContact CD2-CG 4.44Å; L275-L337 HydrophobicContact CG-CD1 3.57Å
276A90.9Very high88.4Confident0 Ų042.2 Ų42.20%022%0.218CC..Hα-helixtrans-59.2-43.3176.600000111.7C272 C273 L279 C280 L337 L370C272-A276 WeakPolarHBondContact O-CB 3.46Å; C272-A276 PolarHBondContact O-N 2.94Å; C273-A276 PolarHBondContact O-N 2.97Å; A276-L279 PolarHBondContact O-N 3.45Å; A276-C280 WeakPolarHBondContact O-CB 3.46Å; A276-C280 PolarHBondContact O-N 3.47Å; A276-L337 HydrophobicContact CB-CB 4.19Å; A276-L337 HydrophobicContact CB-CD1 4.35Å; A276-L370 HydrophobicContact CB-CD2 3.85Å
277E89.8Confident88.9Confident64 Ų6441.2 Ų41.230%0.29921%0.214SC..Hα-helixtrans-64-41.1175.2-75.2-171.4-16600112.8C273 L275 C280 R281 L370C273-E277 WeakPolarHBondContact O-CB 3.4Å; C273-E277 WeakPolarHBondContact O-CG 3.3Å; C273-E277 PolarHBondContact O-N 3.33Å; L275-E277 VanDerWaalsContact C-N 3.32Å; L275-E277 PolarHBondContact O-N 3.18Å; E277-C280 PolarHBondContact O-N 3.43Å; E277-R281 WeakPolarHBondContact O-CB 3.47Å; E277-R281 PolarHBondContact O-N 3.04Å; E277-R281 IonicContact OE2-CZ 2.69Å; E277-R281 IonicContact OE2-NH1 2.76Å; E277-R281 PolarHBondContact OE2-NH1 2.89Å; E277-L370 HydrophobicContact CG-CD2 4.37Å
278L91.8Very high89.2Confident15 Ų1542.7 Ų42.78%0.07922%0.22CC..Hα-helixtrans-63.5-44.9176.9-178.765.8000111.2V240 L245 A248 V249 Y252 Q274 L275 C280 R281 A282 V283V240-L278 HydrophobicContact CB-CD1 4.45Å; V240-L278 HydrophobicContact CG1-CD1 3.84Å; V240-L278 HydrophobicContact CG2-CD1 3.68Å; V240-L278 HydrophobicContact CG2-CD2 3.79Å; V240-L278 HydrophobicContact CG2-CG 4.4Å; L245-L278 HydrophobicContact CD2-CD1 4.2Å; A248-L278 HydrophobicContact CB-CD2 4.25Å; V249-L278 HydrophobicContact CG2-CD2 3.77Å; Y252-L278 HydrophobicContact CD2-CD2 4.29Å; Y252-L278 HydrophobicContact CE2-CD2 3.96Å; Q274-L278 WeakPolarHBondContact O-CB 3.35Å; Q274-L278 PolarHBondContact O-N 3.03Å; L275-L278 PolarHBondContact O-N 3.48Å; L278-C280 VanDerWaalsContact C-N 3.29Å; L278-C280 PolarHBondContact O-N 2.93Å; L278-R281 PolarHBondContact O-N 3.31Å; L278-A282 HydrophobicContact CD1-CB 3.88Å; L278-A282 PolarHBondContact O-N 3.03Å; L278-V283 PolarHBondContact O-N 3.31Å
279L91.5Very high89.3Confident0 Ų047.9 Ų47.90%024%0.242CC..Hα-helixtrans-61.2-39.5176.3-70.5176000111.3V249 L275 A276 V283 Y288 R330 E333 M334 L337V249-L279 HydrophobicContact CG2-CD2 4.48Å; L275-L279 HydrophobicContact CD1-CD1 4.38Å; L275-L279 HydrophobicContact CD1-CG 4.16Å; L275-L279 HydrophobicContact CG-CD1 4.18Å; L275-L279 HydrophobicContact CG-CG 4.41Å; L275-L279 WeakPolarHBondContact O-CB 3.43Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.36Å; L275-L279 PolarHBondContact O-N 2.74Å; A276-L279 PolarHBondContact O-N 3.45Å; L279-V283 HydrophobicContact CD2-CB 4.2Å; L279-V283 HydrophobicContact CD2-CG1 4.32Å; L279-V283 HydrophobicContact CD2-CG2 4.15Å; L279-V283 VanDerWaalsContact O-O 3.1Å; L279-Y288 HydrophobicContact CD2-CD2 4.14Å; L279-Y288 HydrophobicContact CD2-CE2 4.14Å; L279-R330 HydrophobicContact CB-CG 4.36Å; L279-R330 PolarHBondContact O-NH1 3.33Å; L279-E333 HydrophobicContact CD1-CB 4.19Å; L279-E333 HydrophobicContact CD1-CG 3.81Å; L279-M334 HydrophobicContact CB-CG 3.63Å; L279-M334 HydrophobicContact CB-SD 4.09Å; L279-M334 HydrophobicContact CD1-CG 4.06Å; L279-L337 HydrophobicContact CD1-CD1 3.9Å
280C87.8Confident89.3Confident38 Ų3852.3 Ų52.326%0.25727%0.265SS..Hα-helixtrans-67.4-49177.1-171.30000113.2A276 E277 L278 M334 L370A276-C280 WeakPolarHBondContact O-CB 3.46Å; A276-C280 PolarHBondContact O-N 3.47Å; E277-C280 PolarHBondContact O-N 3.43Å; L278-C280 VanDerWaalsContact C-N 3.29Å; L278-C280 PolarHBondContact O-N 2.93Å; C280-M334 HydrophobicContact CB-CE 3.54Å; C280-M334 HydrophobicContact CB-SD 4.39Å; C280-L370 HydrophobicContact CB-CD1 3.49Å; C280-L370 VanDerWaalsContact CB-CD1 3.49Å; C280-L370 HydrophobicContact CB-CD2 4.49Å; C280-L370 WeakPolarHBondContact SG-CD1 3.37Å
281R87.9Confident89.1Confident192 Ų19252.1 Ų52.173%0.72527%0.265SS*.Hα-helixtrans-89.2-33.5-166.5-68.3-173177.2114.6-1.9114.1E277 L278E277-R281 WeakPolarHBondContact O-CB 3.47Å; E277-R281 PolarHBondContact O-N 3.04Å; E277-R281 IonicContact OE2-CZ 2.69Å; E277-R281 IonicContact OE2-NH1 2.76Å; E277-R281 PolarHBondContact OE2-NH1 2.89Å; L278-R281 PolarHBondContact O-N 3.31Å
282A87.6Confident88.5Confident39 Ų3959.5 Ų59.532%0.32230%0.297SS..THydrogen-bonded Turntrans-121.5-23.3-165.700000114.7L245 L278L245-A282 HydrophobicContact CD1-CB 3.9Å; L245-A282 HydrophobicContact CD2-CB 4.36Å; L278-A282 HydrophobicContact CD1-CB 3.88Å; L278-A282 PolarHBondContact O-N 3.03Å
283V90Very high87.3Confident6 Ų664.3 Ų64.34%0.03632%0.322CS..  trans-100.8113.6-177-176.60000109.8V249 L278 L279 Y288 R330V249-V283 HydrophobicContact CG2-CG2 4.16Å; L278-V283 PolarHBondContact O-N 3.31Å; L279-V283 HydrophobicContact CD2-CB 4.2Å; L279-V283 HydrophobicContact CD2-CG1 4.32Å; L279-V283 HydrophobicContact CD2-CG2 4.15Å; L279-V283 VanDerWaalsContact O-O 3.1Å; V283-Y288 HydrophobicContact CG1-CD2 4.33Å; V283-R330 WeakPolarHBondContact O-CD 3.25Å; V283-R330 PolarHBondContact O-NH1 2.66Å
284T89Confident85.7Confident75 Ų7565.9 Ų65.946%0.4633%0.333SS..  trans-79.6159.6173.856.50000111.7T286 R287 Y288T284-T286 PolarHBondContact O-N 3.34Å; T284-T286 PolarHBondContact OG1-OG1 3.21Å; T284-R287 PolarHBondContact O-N 2.88Å; T284-Y288 PolarHBondContact O-N 2.95Å
285D84.9Confident83.5Confident91 Ų9172.9 Ų72.949%0.48737%0.365SS..THydrogen-bonded Turntrans-58.2-31.3177.5-63.4-42.5000112.8R330D285-R330 IonicContact OD1-CZ 3.9Å; D285-R330 IonicContact OD1-NE 3.3Å; D285-R330 PolarHBondContact OD1-NE 2.75Å; D285-R330 IonicContact OD1-NH2 3.12Å; D285-R330 PolarHBondContact OD1-NH2 3.08Å; D285-R330 IonicContact OD2-CZ 2.64Å; D285-R330 IonicContact OD2-NH2 3.05Å; D285-R330 PolarHBondContact OD2-NH2 2.98Å
286T87.9Confident81.2Confident138 Ų13876.1 Ų76.185%0.84739%0.393SS*.THydrogen-bonded Turntrans-71.6-27.3175.852.10000114T284T284-T286 PolarHBondContact O-N 3.34Å; T284-T286 PolarHBondContact OG1-OG1 3.21Å
287R89.8Confident78.9Confident89 Ų8979.6 Ų79.634%0.33641%0.411SS..THydrogen-bonded Turntrans-91.9-26.2178.9-174173.1-174.2155.67.2111.8D246 T284 K289D246-R287 VanDerWaalsContact CG-NH2 3.33Å; D246-R287 IonicContact OD1-CZ 3.31Å; D246-R287 IonicContact OD1-NE 3.76Å; D246-R287 PolarHBondContact OD1-NE 3.36Å; D246-R287 IonicContact OD1-NH2 3.13Å; D246-R287 PolarHBondContact OD1-NH2 3.19Å; D246-R287 IonicContact OD2-CZ 3.85Å; D246-R287 IonicContact OD2-NE 2.69Å; D246-R287 PolarHBondContact OD2-NE 3.08Å; D246-R287 IonicContact OD2-NH2 3.66Å; D246-R287 PolarHBondContact OD2-NH2 2.64Å; T284-R287 PolarHBondContact O-N 2.88Å; R287-K289 PolarHBondContact O-N 3.03Å
288Y91.7Very high76.4Confident32 Ų3278.6 Ų78.613%0.12541%0.409CS..  trans-55.6131.4-178.1-179.5-100.9000111.7L279 V283 T284 N329 R330 E333L279-Y288 HydrophobicContact CD2-CD2 4.14Å; L279-Y288 HydrophobicContact CD2-CE2 4.14Å; V283-Y288 HydrophobicContact CG1-CD2 4.33Å; T284-Y288 PolarHBondContact O-N 2.95Å; Y288-N329 PolarHBondContact OH-O 2.63Å; Y288-R330 HydrophobicContact CD1-CB 4.1Å; Y288-R330 HydrophobicContact CD2-CB 3.62Å; Y288-R330 HydrophobicContact CD2-CG 3.87Å; Y288-R330 HydrophobicContact CE1-CB 4.37Å; Y288-R330 HydrophobicContact CE2-CB 3.91Å; Y288-R330 HydrophobicContact CE2-CG 4.24Å; Y288-R330 HydrophobicContact CG-CB 3.72Å; Y288-R330 HydrophobicContact CG-CG 4.35Å; Y288-E333 WeakPolarHBondContact CE2-OE2 3.43Å; Y288-E333 PolarHBondContact OH-OE2 3.41Å
289K89.4Confident73.6Confident125 Ų12584.3 Ų84.354%0.54344%0.439SS..  trans-121.7133.3175.5-66.7175.6-173.8169.40108.8R253 R287R253-K289 PolarHBondContact NH1-O 2.78Å; R253-K289 PolarHBondContact NH2-O 3.45Å; R287-K289 PolarHBondContact O-N 3.03Å
290L85.7Confident70.9Confident98 Ų9887.9 Ų87.951%0.51347%0.468SS..  trans-54144.9173.6-74.7154.6000110.9K292 P327L290-K292 PolarHBondContact O-N 3Å; L290-P327 WeakPolarHBondContact CD2-O 3.39Å
291P83.3Confident68.4Low34 Ų3487.5 Ų87.522%0.22147%0.466CS..  trans-54.9131.5171.9-25.335.4000111.2I293 P327P291-I293 PolarHBondContact O-N 3.44Å; P291-P327 HydrophobicContact CG-CG 4.46Å
292K76.7Confident65.6Low156 Ų15681.9 Ų81.968%0.67846%0.456SS*.  trans-80113.4176.2-63.5169.8-171.6150.60108D250 L290 S294D250-K292 IonicContact OD2-NZ 2.73Å; D250-K292 PolarHBondContact OD2-NZ 2.92Å; L290-K292 PolarHBondContact O-N 3Å; K292-S294 PolarHBondContact O-N 3.18Å
293I66.7Low62.8Low102 Ų10286.6 Ų86.652%0.52348%0.475SS..  trans-82.6109.2172.2-50.7166.3000107.1P291 V326P291-I293 PolarHBondContact O-N 3.44Å; I293-V326 HydrophobicContact CD1-CB 4.44Å; I293-V326 HydrophobicContact CD1-CG1 4.34Å; I293-V326 HydrophobicContact CD1-CG2 3.3Å; I293-V326 HydrophobicContact CG1-CG2 4.11Å
294S54.8Low60.3Low50 Ų5090.4 Ų90.435%0.3550%0.495SS..  trans-81.1145.9169.184.30000109.5K292 A296 D297K292-S294 PolarHBondContact O-N 3.18Å; S294-A296 PolarHBondContact O-N 2.95Å; S294-A296 VanDerWaalsContact O-N 3.13Å; S294-D297 WeakPolarHBondContact CB-OD2 3.41Å; S294-D297 PolarHBondContact N-OD2 3.23Å; S294-D297 PolarHBondContact O-N 3.45Å; S294-D297 VanDerWaalsContact O-N 3.15Å; S294-D297 PolarHBondContact OG-N 3.49Å; S294-D297 PolarHBondContact OG-OD1 2.88Å; S294-D297 PolarHBondContact OG-OD2 3.31Å
295Q43.7Very low57.4Low185 Ų18591.4 Ų91.486%0.86451%0.51SS*.THydrogen-bonded Turntrans-60.9-20.8176.1-70.4178.8-6.200112.5T298Q295-T298 PolarHBondContact O-OG1 2.94Å
296A44.1Very low54.8Low70 Ų7091.8 Ų91.858%0.57952%0.516SS*.THydrogen-bonded Turntrans-75.8-29.7177.400000113.2S294 T298 I299S294-A296 PolarHBondContact O-N 2.95Å; S294-A296 VanDerWaalsContact O-N 3.13Å; A296-T298 PolarHBondContact O-N 3.23Å; A296-I299 PolarHBondContact O-N 3.15Å
297D43.9Very low52.1Low72 Ų7290.7 Ų90.739%0.38551%0.514SS..Hα-helixtrans-69.7-19.3179.8-61.4-40.1000113.1S294 I299 A300 S301S294-D297 WeakPolarHBondContact CB-OD2 3.41Å; S294-D297 PolarHBondContact N-OD2 3.23Å; S294-D297 PolarHBondContact O-N 3.45Å; S294-D297 VanDerWaalsContact O-N 3.15Å; S294-D297 PolarHBondContact OG-N 3.49Å; S294-D297 PolarHBondContact OG-OD1 2.88Å; S294-D297 PolarHBondContact OG-OD2 3.31Å; D297-I299 PolarHBondContact O-N 3.42Å; D297-A300 PolarHBondContact O-N 3.07Å; D297-S301 PolarHBondContact O-N 3.1Å; D297-S301 PolarHBondContact O-OG 3.37Å; D297-S301 VanDerWaalsContact O-OG 3.06Å
298T37.4Very low49.2Very low43 Ų4391.2 Ų91.226%0.26453%0.531SS..Hα-helixtrans-60.8-24175.5-22.80000112.7Q295 A296 I324Q295-T298 PolarHBondContact O-OG1 2.94Å; A296-T298 PolarHBondContact O-N 3.23Å; T298-I324 HydrophobicContact CG2-CD1 4.43Å
299I32.9Very low46.5Very low136 Ų13694.3 Ų94.370%0.69755%0.553SS**Hα-helixtrans-83.4-37.4-177.1-58174.7000110.8A296 D297 S302A296-I299 PolarHBondContact O-N 3.15Å; D297-I299 PolarHBondContact O-N 3.42Å; I299-S302 WeakPolarHBondContact O-CB 3.38Å; I299-S302 PolarHBondContact O-OG 3.17Å
300A34Very low44Very low74 Ų7493.6 Ų93.661%0.61256%0.562SS**Hα-helixtrans-74.4-34.3177.300000112.6D297 S302D297-A300 PolarHBondContact O-N 3.07Å; A300-S302 PolarHBondContact O-N 3.49Å; A300-S302 VanDerWaalsContact O-N 3.1Å
301S34.7Very low41.3Very low30 Ų3096.7 Ų96.721%0.2157%0.571CS.*G310 helixtrans-69.9-5.7-179.5-570000114.4D297 L303 L304 P322D297-S301 PolarHBondContact O-N 3.1Å; D297-S301 PolarHBondContact O-OG 3.37Å; D297-S301 VanDerWaalsContact O-OG 3.06Å; S301-L303 PolarHBondContact O-N 3.03Å; S301-L304 PolarHBondContact O-N 3.25Å; S301-P322 VanDerWaalsContact O-CG 3.23Å; S301-P322 WeakPolarHBondContact O-CG 3.39Å
302S28.8Very low38.9Very low75 Ų7598.4 Ų98.452%0.52460%0.595SS.*G310 helixtrans-55.5-14.4176.9-48.40000114.3I299 A300I299-S302 WeakPolarHBondContact O-CB 3.38Å; I299-S302 PolarHBondContact O-OG 3.17Å; A300-S302 PolarHBondContact O-N 3.49Å; A300-S302 VanDerWaalsContact O-N 3.1Å
303L30.4Very low36.7Very low138 Ų13897.9 Ų97.972%0.72360%0.6SS**G310 helixtrans-98.1-8.8-176.7-67.8169.2000114.6S301 A305S301-L303 PolarHBondContact O-N 3.03Å; L303-A305 PolarHBondContact O-N 3.08Å
304L35.9Very low34.8Very low85 Ų85101.4 Ų101.445%0.44562%0.616SS.*  trans-10080.9-176.3-76.4169.2000112.4D260 S301 V306D260-L304 WeakPolarHBondContact OD2-CD2 3.41Å; S301-L304 PolarHBondContact O-N 3.25Å; L304-V306 VanDerWaalsContact C-N 3.33Å; L304-V306 HydrophobicContact CD2-CG2 4.35Å; L304-V306 PolarHBondContact O-N 3.32Å
305A28.2Very low33.6Very low96 Ų96104.3 Ų104.379%0.79363%0.632SS**  trans-82.779.2160.700000109.3L303 S307L303-A305 PolarHBondContact O-N 3.08Å; A305-S307 PolarHBondContact O-N 3.2Å; A305-S307 VanDerWaalsContact O-N 3.1Å
306V31.3Very low32.8Very low99 Ų99103.1 Ų103.160%0.663%0.631SS**  trans-77.793.2170.4-179.10000108.1L304 S308 V309L304-V306 VanDerWaalsContact C-N 3.33Å; L304-V306 HydrophobicContact CD2-CG2 4.35Å; L304-V306 PolarHBondContact O-N 3.32Å; V306-S308 PolarHBondContact O-N 3.35Å; V306-S308 VanDerWaalsContact O-N 3.11Å; V306-V309 HydrophobicContact CG1-CG2 4.25Å
307S30.4Very low32.1Very low116 Ų116106.6 Ų106.681%0.81164%0.635SS**  trans-83.253.3179.172.40000112.5A305A305-S307 PolarHBondContact O-N 3.2Å; A305-S307 VanDerWaalsContact O-N 3.1Å
308S29.9Very low31.5Very low100 Ų100108.3 Ų108.370%0.69965%0.653SS**  trans-179.576.5166.450.20000112.2V306V306-S308 PolarHBondContact O-N 3.35Å; V306-S308 VanDerWaalsContact O-N 3.11Å
309V34.3Very low31.8Very low96 Ų96111.7 Ų111.758%0.58269%0.685SS**  trans-132.7118.6155.7-172.80000107.9V306 F311V306-V309 HydrophobicContact CG1-CG2 4.25Å; V309-F311 PolarHBondContact O-N 3.34Å
310P36.1Very low32.5Very low111 Ų111109.6 Ų109.672%0.72169%0.688SS**  trans-92.553.6-173.136.1-33.8000112.5
311F30.1Very low33Very low162 Ų162113 Ų11371%0.71169%0.689SS**  trans-153.2127.7172.5-71.7-76.7000112.6V309V309-F311 PolarHBondContact O-N 3.34Å
312G32.4Very low33.7Very low70 Ų70113.5 Ų113.572%0.72269%0.692SS**SBendtrans124127.7166.600000115.4M314G312-M314 PolarHBondContact O-N 3.48Å
313D29.6Very low35.2Very low146 Ų146114.9 Ų114.978%0.78171%0.708SS**  trans-56.1118.6-179.5-84.1-36000112.7V315D313-V315 PolarHBondContact O-N 3.49Å
314M27.7Very low37.2Very low175 Ų175111.8 Ų111.886%0.86269%0.691SS**  trans-68.792.2170.8-71.4-177.2-84.700109.7G312 N316G312-M314 PolarHBondContact O-N 3.48Å; M314-N316 PolarHBondContact O-N 3.48Å
315V30.2Very low39.3Very low112 Ų112112.2 Ų112.268%0.67969%0.689SS**  trans-67.5105.6163.7-179.30000107.2D313 Q317D313-V315 PolarHBondContact O-N 3.49Å; V315-Q317 VanDerWaalsContact C-N 3.3Å; V315-Q317 HydrophobicContact CG1-CG 4.26Å; V315-Q317 PolarHBondContact O-N 3.49Å
316N26Very low41.9Very low159 Ų159110.3 Ų110.385%0.8567%0.668SS**  trans-55.687.8173.1-78.7-29.4000110.8M314M314-N316 PolarHBondContact O-N 3.48Å
317Q29.4Very low44.6Very low144 Ų144106.2 Ų106.267%0.67364%0.644SS**  trans-117.2102.3164-78.2-175.516.100109.2V315V315-Q317 VanDerWaalsContact C-N 3.3Å; V315-Q317 HydrophobicContact CG1-CG 4.26Å; V315-Q317 PolarHBondContact O-N 3.49Å
318S31.9Very low47.2Very low108 Ų108104 Ų10476%0.75563%0.632SS**  trans42.282.8152.5-175.40000117.2A320S318-A320 VanDerWaalsContact C-N 3.27Å; S318-A320 PolarHBondContact O-N 2.86Å
319A44Very low50Low114 Ų114102.1 Ų102.194%0.94261%0.614SS**SBendtrans28.710.6142.400000124.2
320A47Very low52.7Low92 Ų9299 Ų9976%0.7659%0.592SS**SBendtrans-15722.7174.200000114.3S318S318-A320 VanDerWaalsContact C-N 3.27Å; S318-A320 PolarHBondContact O-N 2.86Å
321K44.3Very low55.3Low144 Ų14495.6 Ų95.663%0.62657%0.566SS**SBendtrans-114.3117.9171-69.4-176.3179.8-178.70108A323K321-A323 PolarHBondContact O-N 3.1Å
322P49.6Very low58.1Low42 Ų4291.3 Ų91.327%0.27355%0.548SS..  trans-57.1134.1168.423.8-29.3000107.8S301 I324S301-P322 VanDerWaalsContact O-CG 3.23Å; S301-P322 WeakPolarHBondContact O-CG 3.39Å; P322-I324 PolarHBondContact O-N 3.38Å
323A60.4Low61Low103 Ų10388.5 Ų88.585%0.85152%0.516SS*.  trans-63.6110.6178.200000108.2K321 F325K321-A323 PolarHBondContact O-N 3.1Å; A323-F325 PolarHBondContact O-N 3.38Å
324I72.5Confident63.8Low74 Ų7481.7 Ų81.738%0.37948%0.48SS..  trans-82.8117176.8-59.9174000107.2T298 P322 V326T298-I324 HydrophobicContact CG2-CD1 4.43Å; P322-I324 PolarHBondContact O-N 3.38Å; I324-V326 HydrophobicContact CG2-CG2 4.41Å
325F80.4Confident66.8Low93 Ų9376.1 Ų76.141%0.40845%0.449SS..  trans-71.6130.1170.6179.4-92.4000109.7A323 P327 V336A323-F325 PolarHBondContact O-N 3.38Å; F325-P327 HydrophobicContact CD1-CG 4.41Å; F325-P327 HydrophobicContact CE1-CB 4.24Å; F325-P327 HydrophobicContact CE1-CG 3.93Å; F325-V336 HydrophobicContact CD1-CG1 4.48Å; F325-V336 HydrophobicContact CD1-CG2 4.11Å; F325-V336 HydrophobicContact CE1-CB 4.44Å; F325-V336 HydrophobicContact CE1-CG2 3.56Å; F325-V336 HydrophobicContact CZ-CG2 4.1Å
326V83.1Confident69.6Low56 Ų5672.6 Ų72.634%0.33943%0.428SS..  trans-122.2116.2176.7-175.30000106.7I293 I324 A328I293-V326 HydrophobicContact CD1-CB 4.44Å; I293-V326 HydrophobicContact CD1-CG1 4.34Å; I293-V326 HydrophobicContact CD1-CG2 3.3Å; I293-V326 HydrophobicContact CG1-CG2 4.11Å; I324-V326 HydrophobicContact CG2-CG2 4.41Å; V326-A328 PolarHBondContact O-N 3.28Å
327P88.1Confident72.7Confident14 Ų1465.6 Ų65.69%0.09139%0.391CS..  trans-55.5132176.9-22.230.1000110.9L290 P291 F325 N329 E332 E333L290-P327 WeakPolarHBondContact CD2-O 3.39Å; P291-P327 HydrophobicContact CG-CG 4.46Å; F325-P327 HydrophobicContact CD1-CG 4.41Å; F325-P327 HydrophobicContact CE1-CB 4.24Å; F325-P327 HydrophobicContact CE1-CG 3.93Å; P327-N329 VanDerWaalsContact C-N 3.34Å; P327-E332 HydrophobicContact CB-CB 4.09Å; P327-E333 HydrophobicContact CB-CB 3.73Å; P327-E333 HydrophobicContact CG-CB 3.75Å; P327-E333 HydrophobicContact CG-CG 4.05Å
328A85.1Confident75.4Confident68 Ų6859 Ų5956%0.56236%0.36SS*.SBendtrans-77.3-2517700000112.3V326 E332V326-A328 PolarHBondContact O-N 3.28Å; A328-E332 VanDerWaalsContact CB-OE2 3.3Å; A328-E332 WeakPolarHBondContact CB-OE2 3.15Å; A328-E332 PolarHBondContact N-OE2 2.81Å
329N88.8Confident78Confident61 Ų6156 Ų5633%0.32634%0.339SS..SBendtrans-150.1174.4-177.76445.1000111.7Y288 P327 F331 E332 E333Y288-N329 PolarHBondContact OH-O 2.63Å; P327-N329 VanDerWaalsContact C-N 3.34Å; N329-F331 VanDerWaalsContact C-N 3.27Å; N329-F331 PolarHBondContact O-N 2.75Å; N329-F331 WeakPolarHBondContact OD1-CA 3.23Å; N329-F331 WeakPolarHBondContact OD1-CB 3.42Å; N329-F331 PolarHBondContact OD1-N 3.32Å; N329-E332 PolarHBondContact O-N 3.04Å; N329-E332 PolarHBondContact OD1-N 2.92Å; N329-E333 PolarHBondContact O-N 3.02Å
330R90.4Very high80.1Confident31 Ų3153.5 Ų53.512%0.11731%0.309CS..Hα-helixtrans-56.5-40.6178.6-178.8174.957.8134.54.5112.8L279 V283 D285 Y288 E333 M334L279-R330 HydrophobicContact CB-CG 4.36Å; L279-R330 PolarHBondContact O-NH1 3.33Å; V283-R330 WeakPolarHBondContact O-CD 3.25Å; V283-R330 PolarHBondContact O-NH1 2.66Å; D285-R330 IonicContact OD1-CZ 3.9Å; D285-R330 IonicContact OD1-NE 3.3Å; D285-R330 PolarHBondContact OD1-NE 2.75Å; D285-R330 IonicContact OD1-NH2 3.12Å; D285-R330 PolarHBondContact OD1-NH2 3.08Å; D285-R330 IonicContact OD2-CZ 2.64Å; D285-R330 IonicContact OD2-NH2 3.05Å; D285-R330 PolarHBondContact OD2-NH2 2.98Å; Y288-R330 HydrophobicContact CD1-CB 4.1Å; Y288-R330 HydrophobicContact CD2-CB 3.62Å; Y288-R330 HydrophobicContact CD2-CG 3.87Å; Y288-R330 HydrophobicContact CE1-CB 4.37Å; Y288-R330 HydrophobicContact CE2-CB 3.91Å; Y288-R330 HydrophobicContact CE2-CG 4.24Å; Y288-R330 HydrophobicContact CG-CB 3.72Å; Y288-R330 HydrophobicContact CG-CG 4.35Å; R330-E333 PolarHBondContact O-N 3.41Å; R330-M334 HydrophobicContact CG-SD 4.01Å; R330-M334 VanDerWaalsContact O-CG 3.25Å; R330-M334 WeakPolarHBondContact O-CG 3.43Å; R330-M334 PolarHBondContact O-N 2.89Å
331F89.7Confident81.9Confident39 Ų3949.1 Ų49.117%0.17127%0.273CS..Hα-helixtrans-70.4-40.7-175.5-61.2-53.7000112.3N329 E333 M334 Y335 L374 Y377 L378N329-F331 VanDerWaalsContact C-N 3.27Å; N329-F331 PolarHBondContact O-N 2.75Å; N329-F331 WeakPolarHBondContact OD1-CA 3.23Å; N329-F331 WeakPolarHBondContact OD1-CB 3.42Å; N329-F331 PolarHBondContact OD1-N 3.32Å; F331-E333 VanDerWaalsContact C-N 3.33Å; F331-M334 HydrophobicContact CD1-SD 4.31Å; F331-M334 PolarHBondContact O-N 3.28Å; F331-Y335 WeakPolarHBondContact O-CB 3.43Å; F331-Y335 PolarHBondContact O-N 3.23Å; F331-L374 HydrophobicContact CB-CD1 3.88Å; F331-L374 HydrophobicContact CD1-CD1 3.16Å; F331-L374 HydrophobicContact CE1-CD1 3.9Å; F331-L374 HydrophobicContact CG-CD1 3.82Å; F331-Y377 HydrophobicContact CZ-CD1 4.43Å; F331-Y377 HydrophobicContact CZ-CE1 4.1Å; F331-L378 HydrophobicContact CB-CD1 4.17Å; F331-L378 HydrophobicContact CD2-CD2 4.16Å; F331-L378 HydrophobicContact CE2-CD2 4.3Å; F331-L378 HydrophobicContact CG-CD1 4.37Å
332E89.8Confident83.7Confident72 Ų7243.5 Ų43.534%0.33625%0.249SC..Hα-helixtrans-62.8-40.6173-75.7-179.5-163.500111.3P327 A328 N329 Y335 V336P327-E332 HydrophobicContact CB-CB 4.09Å; A328-E332 VanDerWaalsContact CB-OE2 3.3Å; A328-E332 WeakPolarHBondContact CB-OE2 3.15Å; A328-E332 PolarHBondContact N-OE2 2.81Å; N329-E332 PolarHBondContact O-N 3.04Å; N329-E332 PolarHBondContact OD1-N 2.92Å; E332-Y335 PolarHBondContact O-N 3.11Å; E332-V336 WeakPolarHBondContact O-CB 3.45Å; E332-V336 WeakPolarHBondContact O-CG2 3.45Å; E332-V336 PolarHBondContact O-N 3.16Å
333E92.1Very high85.3Confident11 Ų1144 Ų445%0.05126%0.257CS..Hα-helixtrans-64.3-45.8175.9-171.9173.4-176.900110.8R253 L279 Y288 P327 N329 R330 F331 Y335 V336 L337R253-E333 IonicContact CZ-OE1 2.67Å; R253-E333 IonicContact CZ-OE2 3.78Å; R253-E333 IonicContact NE-OE1 3.54Å; R253-E333 PolarHBondContact NE-OE1 3.36Å; R253-E333 IonicContact NE-OE2 3.16Å; R253-E333 VanDerWaalsContact NH2-CD 3.34Å; R253-E333 IonicContact NH2-OE1 2.79Å; R253-E333 PolarHBondContact NH2-OE1 3.49Å; R253-E333 VanDerWaalsContact NH2-OE1 3.13Å; R253-E333 IonicContact NH2-OE2 2.78Å; R253-E333 PolarHBondContact NH2-OE2 2.88Å; L279-E333 HydrophobicContact CD1-CB 4.19Å; L279-E333 HydrophobicContact CD1-CG 3.81Å; Y288-E333 WeakPolarHBondContact CE2-OE2 3.43Å; Y288-E333 PolarHBondContact OH-OE2 3.41Å; P327-E333 HydrophobicContact CB-CB 3.73Å; P327-E333 HydrophobicContact CG-CB 3.75Å; P327-E333 HydrophobicContact CG-CG 4.05Å; N329-E333 PolarHBondContact O-N 3.02Å; R330-E333 PolarHBondContact O-N 3.41Å; F331-E333 VanDerWaalsContact C-N 3.33Å; E333-Y335 VanDerWaalsContact C-N 3.3Å; E333-Y335 PolarHBondContact O-N 3.15Å; E333-V336 PolarHBondContact O-N 2.91Å; E333-L337 HydrophobicContact CG-CD1 3.89Å; E333-L337 HydrophobicContact CG-CG 4.28Å; E333-L337 WeakPolarHBondContact O-CB 3.44Å; E333-L337 WeakPolarHBondContact O-CD1 3.03Å; E333-L337 WeakPolarHBondContact O-CG 2.99Å; E333-L337 PolarHBondContact O-N 3.12Å
334M90.1Very high86.3Confident4 Ų439.9 Ų39.92%0.0222%0.22CC..Hα-helixtrans-57-44.2175.1-71.3169.35800112.1L279 C280 R330 F331 S338 L370 L374L279-M334 HydrophobicContact CB-CG 3.63Å; L279-M334 HydrophobicContact CB-SD 4.09Å; L279-M334 HydrophobicContact CD1-CG 4.06Å; C280-M334 HydrophobicContact CB-CE 3.54Å; C280-M334 HydrophobicContact CB-SD 4.39Å; R330-M334 HydrophobicContact CG-SD 4.01Å; R330-M334 VanDerWaalsContact O-CG 3.25Å; R330-M334 WeakPolarHBondContact O-CG 3.43Å; R330-M334 PolarHBondContact O-N 2.89Å; F331-M334 HydrophobicContact CD1-SD 4.31Å; F331-M334 PolarHBondContact O-N 3.28Å; M334-S338 PolarHBondContact O-N 3.29Å; M334-S338 VanDerWaalsContact O-N 3.12Å; M334-S338 PolarHBondContact O-OG 3.26Å; M334-L370 HydrophobicContact CE-CD1 3.96Å; M334-L370 HydrophobicContact CE-CG 4.41Å; M334-L374 HydrophobicContact CB-CD2 4.05Å; M334-L374 HydrophobicContact CE-CD1 4.28Å; M334-L374 HydrophobicContact CE-CD2 4.36Å
335Y89.9Confident86.5Confident57 Ų5736.6 Ų36.622%0.22420%0.203CC..Hα-helixtrans-66.2-47.3-179.9-177.5-104.3000112F331 E332 E333 S338 C339 V371 L375 L383 V387F331-Y335 WeakPolarHBondContact O-CB 3.43Å; F331-Y335 PolarHBondContact O-N 3.23Å; E332-Y335 PolarHBondContact O-N 3.11Å; E333-Y335 VanDerWaalsContact C-N 3.3Å; E333-Y335 PolarHBondContact O-N 3.15Å; Y335-S338 WeakPolarHBondContact O-CB 3.34Å; Y335-S338 PolarHBondContact O-N 3.01Å; Y335-S338 VanDerWaalsContact O-N 3.16Å; Y335-C339 VanDerWaalsContact CE1-SG 3.53Å; Y335-C339 PolarHBondContact O-N 3.49Å; Y335-C339 PolarHBondContact O-SG 2.9Å; Y335-V371 HydrophobicContact CD2-CG1 4.33Å; Y335-V371 HydrophobicContact CE2-CG1 4.32Å; Y335-L375 HydrophobicContact CD2-CD2 4.38Å; Y335-L375 HydrophobicContact CE2-CD1 4.17Å; Y335-L383 HydrophobicContact CE2-CD2 4.33Å; Y335-V387 HydrophobicContact CE2-CG2 3.98Å; Y335-V387 VanDerWaalsContact OH-CG2 3.31Å; Y335-V387 WeakPolarHBondContact OH-CG2 3.43Å
336V90.2Very high86.3Confident39 Ų3937 Ų3724%0.23621%0.206CC..Hα-helixtrans-65.5-41.4179.41700000111.7F325 E332 E333 S338 C339 I340F325-V336 HydrophobicContact CD1-CG1 4.48Å; F325-V336 HydrophobicContact CD1-CG2 4.11Å; F325-V336 HydrophobicContact CE1-CB 4.44Å; F325-V336 HydrophobicContact CE1-CG2 3.56Å; F325-V336 HydrophobicContact CZ-CG2 4.1Å; E332-V336 WeakPolarHBondContact O-CB 3.45Å; E332-V336 WeakPolarHBondContact O-CG2 3.45Å; E332-V336 PolarHBondContact O-N 3.16Å; E333-V336 PolarHBondContact O-N 2.91Å; V336-S338 PolarHBondContact O-N 3.48Å; V336-C339 PolarHBondContact O-N 3.35Å; V336-I340 HydrophobicContact CG1-CD1 3.84Å; V336-I340 HydrophobicContact CG1-CG1 4.35Å; V336-I340 VanDerWaalsContact O-CG1 3.31Å; V336-I340 WeakPolarHBondContact O-CG1 3.49Å; V336-I340 PolarHBondContact O-N 3.47Å
337L90.7Very high85.9Confident12 Ų1238.5 Ų38.56%0.06321%0.21CC..Hα-helixtrans-57.9-40.1173.6-71.5169000111.4L256 C272 L275 A276 L279 E333 I340 S341L256-L337 HydrophobicContact CD1-CD2 3.92Å; C272-L337 HydrophobicContact CB-CB 4.48Å; C272-L337 HydrophobicContact CB-CD2 4.38Å; L275-L337 HydrophobicContact CB-CD1 3.99Å; L275-L337 HydrophobicContact CD2-CD1 3.58Å; L275-L337 HydrophobicContact CD2-CD2 3.99Å; L275-L337 HydrophobicContact CD2-CG 4.44Å; L275-L337 HydrophobicContact CG-CD1 3.57Å; A276-L337 HydrophobicContact CB-CB 4.19Å; A276-L337 HydrophobicContact CB-CD1 4.35Å; L279-L337 HydrophobicContact CD1-CD1 3.9Å; E333-L337 HydrophobicContact CG-CD1 3.89Å; E333-L337 HydrophobicContact CG-CG 4.28Å; E333-L337 WeakPolarHBondContact O-CB 3.44Å; E333-L337 WeakPolarHBondContact O-CD1 3.03Å; E333-L337 WeakPolarHBondContact O-CG 2.99Å; E333-L337 PolarHBondContact O-N 3.12Å; L337-I340 PolarHBondContact O-N 3.34Å; L337-S341 PolarHBondContact O-N 2.98Å; L337-S341 PolarHBondContact O-OG 2.77Å; L337-S341 VanDerWaalsContact O-OG 3.14Å
338S85.7Confident85Confident4 Ų439.4 Ų39.43%0.02821%0.214CC..Hα-helixtrans-65.6-44.3176.6-52.30000111.8M334 Y335 V336 I340 S341 E342 L367 V371M334-S338 PolarHBondContact O-N 3.29Å; M334-S338 VanDerWaalsContact O-N 3.12Å; M334-S338 PolarHBondContact O-OG 3.26Å; Y335-S338 WeakPolarHBondContact O-CB 3.34Å; Y335-S338 PolarHBondContact O-N 3.01Å; Y335-S338 VanDerWaalsContact O-N 3.16Å; V336-S338 PolarHBondContact O-N 3.48Å; S338-I340 VanDerWaalsContact C-N 3.33Å; S338-I340 PolarHBondContact O-N 3.15Å; S338-S341 WeakPolarHBondContact CA-OG 3.42Å; S338-S341 PolarHBondContact O-N 3.08Å; S338-S341 PolarHBondContact O-OG 3.22Å; S338-E342 PolarHBondContact O-N 3.1Å; S338-L367 WeakPolarHBondContact OG-CD1 3.46Å; S338-V371 VanDerWaalsContact CB-CG2 3.43Å; S338-V371 WeakPolarHBondContact OG-CG2 3.36Å
339C86.4Confident84.1Confident45 Ų4538 Ų3830%0.30420%0.196SC..Hα-helixtrans-61.3-40.8176.3-63.10000112.1Y335 V336 E342 A343Y335-C339 VanDerWaalsContact CE1-SG 3.53Å; Y335-C339 PolarHBondContact O-N 3.49Å; Y335-C339 PolarHBondContact O-SG 2.9Å; V336-C339 PolarHBondContact O-N 3.35Å; C339-E342 PolarHBondContact O-N 3.42Å; C339-A343 WeakPolarHBondContact O-CB 3.28Å; C339-A343 PolarHBondContact O-N 3.25Å
340I87.3Confident83Confident62 Ų6239.1 Ų39.132%0.31821%0.209SC..Hα-helixtrans-63.2-46.6176.9-67.6165.3000110V336 L337 S338 E342 A343 I344V336-I340 HydrophobicContact CG1-CD1 3.84Å; V336-I340 HydrophobicContact CG1-CG1 4.35Å; V336-I340 VanDerWaalsContact O-CG1 3.31Å; V336-I340 WeakPolarHBondContact O-CG1 3.49Å; V336-I340 PolarHBondContact O-N 3.47Å; L337-I340 PolarHBondContact O-N 3.34Å; S338-I340 VanDerWaalsContact C-N 3.33Å; S338-I340 PolarHBondContact O-N 3.15Å; I340-E342 VanDerWaalsContact C-N 3.33Å; I340-E342 PolarHBondContact O-N 3.5Å; I340-A343 PolarHBondContact O-N 2.93Å; I340-I344 HydrophobicContact CG2-CD1 3.85Å; I340-I344 VanDerWaalsContact O-CG1 3.28Å; I340-I344 WeakPolarHBondContact O-CG1 3.39Å; I340-I344 PolarHBondContact O-N 3.44Å
341S85.7Confident81.3Confident0 Ų044.7 Ų44.70%023%0.234CC..Hα-helixtrans-63.2-37.4177.449.50000113L337 S338 V345 L367L337-S341 PolarHBondContact O-N 2.98Å; L337-S341 PolarHBondContact O-OG 2.77Å; L337-S341 VanDerWaalsContact O-OG 3.14Å; S338-S341 WeakPolarHBondContact CA-OG 3.42Å; S338-S341 PolarHBondContact O-N 3.08Å; S338-S341 PolarHBondContact O-OG 3.22Å; S341-V345 WeakPolarHBondContact O-CG2 3.41Å; S341-V345 PolarHBondContact O-N 3.01Å; S341-L367 WeakPolarHBondContact OG-CD2 3.41Å
342E82.6Confident79.8Confident26 Ų2646.5 Ų46.512%0.12125%0.245CC..Hα-helixtrans-65.4-46.4175.8-171.4-179.9171.900111.1S338 C339 I340 I344 V345 E346 T390S338-E342 PolarHBondContact O-N 3.1Å; C339-E342 PolarHBondContact O-N 3.42Å; I340-E342 VanDerWaalsContact C-N 3.33Å; I340-E342 PolarHBondContact O-N 3.5Å; E342-I344 VanDerWaalsContact C-N 3.34Å; E342-I344 PolarHBondContact O-N 3.19Å; E342-V345 PolarHBondContact O-N 3.23Å; E342-V345 VanDerWaalsContact O-N 3.14Å; E342-E346 PolarHBondContact O-N 2.98Å; E342-T390 PolarHBondContact OE1-OG1 2.85Å
343A83.1Confident78.8Confident54 Ų5448.7 Ų48.745%0.44626%0.259SS..Hα-helixtrans-62.9-36.6179.700000113.3C339 I340 E346 H347C339-A343 WeakPolarHBondContact O-CB 3.28Å; C339-A343 PolarHBondContact O-N 3.25Å; I340-A343 PolarHBondContact O-N 2.93Å; A343-E346 PolarHBondContact O-N 3.43Å; A343-H347 PolarHBondContact O-N 3.45Å; A343-H347 VanDerWaalsContact O-N 3.08Å
344I81.5Confident77.7Confident16 Ų1652.9 Ų52.98%0.08229%0.288CS..Hα-helixtrans-63.6-45174.5-67.2163.3000110.2R265 Q268 Q269 I340 E342 H347 D348R265-I344 HydrophobicContact CB-CG2 4.13Å; Q268-I344 HydrophobicContact CB-CD1 4.06Å; Q268-I344 HydrophobicContact CG-CD1 3.81Å; Q269-I344 HydrophobicContact CB-CB 4.41Å; Q269-I344 HydrophobicContact CB-CD1 4.25Å; Q269-I344 HydrophobicContact CB-CG2 4.05Å; I340-I344 HydrophobicContact CG2-CD1 3.85Å; I340-I344 VanDerWaalsContact O-CG1 3.28Å; I340-I344 WeakPolarHBondContact O-CG1 3.39Å; I340-I344 PolarHBondContact O-N 3.44Å; E342-I344 VanDerWaalsContact C-N 3.34Å; E342-I344 PolarHBondContact O-N 3.19Å; I344-H347 PolarHBondContact O-N 3.42Å; I344-D348 PolarHBondContact O-N 3.42Å; I344-D348 VanDerWaalsContact O-N 3.1Å
345V76.8Confident76.6Confident4 Ų459.3 Ų59.32%0.02432%0.322CS..Hα-helixtrans-63.9-44.3177.81780000110.8Q269 S341 E342 H347 D348 M349 M360 L364Q269-V345 HydrophobicContact CG-CG2 4.01Å; S341-V345 WeakPolarHBondContact O-CG2 3.41Å; S341-V345 PolarHBondContact O-N 3.01Å; E342-V345 PolarHBondContact O-N 3.23Å; E342-V345 VanDerWaalsContact O-N 3.14Å; V345-H347 VanDerWaalsContact C-N 3.29Å; V345-H347 PolarHBondContact O-N 2.9Å; V345-D348 PolarHBondContact O-N 2.91Å; V345-D348 VanDerWaalsContact O-N 3.16Å; V345-M349 HydrophobicContact CG1-CG 3.59Å; V345-M349 HydrophobicContact CG1-SD 4.27Å; V345-M349 VanDerWaalsContact O-CB 3.31Å; V345-M349 WeakPolarHBondContact O-CB 3.37Å; V345-M349 WeakPolarHBondContact O-CG 3.08Å; V345-M349 PolarHBondContact O-N 3.3Å; V345-M360 HydrophobicContact CG1-CB 4.19Å; V345-M360 HydrophobicContact CG1-CE 4.5Å; V345-M360 HydrophobicContact CG2-CE 4.07Å; V345-L364 HydrophobicContact CB-CD1 3.99Å; V345-L364 HydrophobicContact CG1-CD1 3.64Å; V345-L364 HydrophobicContact CG1-CG 4.46Å; V345-L364 HydrophobicContact CG2-CD1 4.06Å; V345-L364 HydrophobicContact CG2-CD2 3.98Å; V345-L364 HydrophobicContact CG2-CG 4.11Å
346E74.7Confident75.5Confident101 Ų10160.7 Ų60.747%0.47233%0.331SS..Hα-helixtrans-56.5-43.4178.1-174.1179.617000112.1E342 A343 Y394E342-E346 PolarHBondContact O-N 2.98Å; A343-E346 PolarHBondContact O-N 3.43Å; E346-Y394 HydrophobicContact CG-CE1 4.19Å; E346-Y394 VanDerWaalsContact CG-OH 3.27Å; E346-Y394 WeakPolarHBondContact CG-OH 3.39Å; E346-Y394 PolarHBondContact OE1-OH 3.09Å; E346-Y394 PolarHBondContact OE2-OH 3.19Å
347H75.3Confident74.4Confident88 Ų8863.4 Ų63.441%0.40734%0.339SS..Hα-helixtrans-61.4-48175.5179.9-72.8000111.8R265 A343 I344 V345 S350 F351R265-H347 PolarHBondContact NH1-CE1 2.83Å; R265-H347 PolarHBondContact NH1-ND1 3.29Å; R265-H347 VanDerWaalsContact NH1-ND1 3.12Å; R265-H347 PolarHBondContact NH1-NE2 2.98Å; A343-H347 PolarHBondContact O-N 3.45Å; A343-H347 VanDerWaalsContact O-N 3.08Å; I344-H347 PolarHBondContact O-N 3.42Å; V345-H347 VanDerWaalsContact C-N 3.29Å; V345-H347 PolarHBondContact O-N 2.9Å; H347-S350 PolarHBondContact O-N 3.22Å; H347-S350 PolarHBondContact O-OG 3.41Å; H347-F351 AromaticContact CE1-CE2 3.9Å
348D70Confident73.3Confident33 Ų3368.6 Ų68.618%0.17636%0.363CS..Hα-helixtrans-74.9-28-174.2-68-9.8000112.7I344 V345 S350 F351 M360I344-D348 PolarHBondContact O-N 3.42Å; I344-D348 VanDerWaalsContact O-N 3.1Å; V345-D348 PolarHBondContact O-N 2.91Å; V345-D348 VanDerWaalsContact O-N 3.16Å; D348-S350 PolarHBondContact O-N 3.06Å; D348-F351 PolarHBondContact O-N 3.3Å; D348-M360 HydrophobicContact CB-CE 4.41Å
349M66.5Low72.5Confident38 Ų3873.4 Ų73.419%0.18739%0.385CS..Hα-helixtrans-62.5-24.2176.6-73.1-86.5-83.900113.6V345 F351 K357 M361V345-M349 HydrophobicContact CG1-CG 3.59Å; V345-M349 HydrophobicContact CG1-SD 4.27Å; V345-M349 VanDerWaalsContact O-CB 3.31Å; V345-M349 WeakPolarHBondContact O-CB 3.37Å; V345-M349 WeakPolarHBondContact O-CG 3.08Å; V345-M349 PolarHBondContact O-N 3.3Å; M349-F351 PolarHBondContact O-N 3.2Å; M349-K357 HydrophobicContact CE-CD 3.83Å; M349-K357 HydrophobicContact CE-CG 3.65Å; M349-K357 HydrophobicContact SD-CB 3.96Å; M349-K357 HydrophobicContact SD-CD 4.2Å; M349-K357 HydrophobicContact SD-CG 3.66Å; M349-M361 HydrophobicContact CE-CG 4.48Å; M349-M361 HydrophobicContact CE-SD 4.15Å
350S64.1Low71.7Confident85 Ų8572.4 Ų72.459%0.59438%0.376SS*.THydrogen-bonded Turntrans-69.5-11.9178.466.80000113.9H347 D348H347-S350 PolarHBondContact O-N 3.22Å; H347-S350 PolarHBondContact O-OG 3.41Å; D348-S350 PolarHBondContact O-N 3.06Å
351F55.2Low70.9Confident148 Ų14870.5 Ų70.565%0.64937%0.366SS*.THydrogen-bonded Turntrans-116.8-10.9-171.7-65.1-75.4000115.9H347 D348 M349H347-F351 AromaticContact CE1-CE2 3.9Å; D348-F351 PolarHBondContact O-N 3.3Å; M349-F351 PolarHBondContact O-N 3.2Å
352N58.5Low70.2Confident77 Ų7774.8 Ų74.841%0.41239%0.393SS..  trans-114.5158.7-156.3-68.98.4000116.5E356N352-E356 HydrophobicContact CB-CB 4.28Å; N352-E356 WeakPolarHBondContact CB-OE2 3.34Å; N352-E356 PolarHBondContact ND2-OE2 3.33Å
353D69Low69.7Low118 Ų11876.6 Ų76.663%0.63141%0.405SS*.  trans-59.5151.7175.1-76.7-37.9000112.6D355 E356 K357D353-D355 VanDerWaalsContact C-N 3.26Å; D353-D355 PolarHBondContact O-N 3.03Å; D353-E356 PolarHBondContact O-N 3.23Å; D353-K357 PolarHBondContact O-N 3.06Å; D353-K357 VanDerWaalsContact O-N 3.15Å
354P67.7Low69.4Low100 Ų10074.3 Ų74.365%0.64939%0.386SS*.Hα-helixtrans-60-30.6-176.523.4-34.2000114.2K357 Q358P354-K357 WeakPolarHBondContact O-CB 3.33Å; P354-K357 PolarHBondContact O-N 2.9Å; P354-Q358 PolarHBondContact O-N 3.47Å; P354-Q358 VanDerWaalsContact O-N 3.14Å
355D67.1Low69.5Low138 Ų13878.9 Ų78.974%0.73840%0.402SS*.Hα-helixtrans-69.6-40.1178.7-67.9-28.7000111.8D353 Q358 E359D353-D355 VanDerWaalsContact C-N 3.26Å; D353-D355 PolarHBondContact O-N 3.03Å; D355-Q358 PolarHBondContact O-N 2.99Å; D355-E359 PolarHBondContact O-N 3.43Å; D355-E359 VanDerWaalsContact O-N 3.11Å
356E67.2Low69.9Low86 Ų8681.6 Ų81.640%0.40242%0.419SS..Hα-helixtrans-68.9-37.5175.7-68.5-167.516300111.4N352 D353 Q358 E359 M360N352-E356 HydrophobicContact CB-CB 4.28Å; N352-E356 WeakPolarHBondContact CB-OE2 3.34Å; N352-E356 PolarHBondContact ND2-OE2 3.33Å; D353-E356 PolarHBondContact O-N 3.23Å; E356-Q358 VanDerWaalsContact C-N 3.27Å; E356-Q358 PolarHBondContact O-N 2.91Å; E356-E359 PolarHBondContact O-N 2.68Å; E356-M360 VanDerWaalsContact O-CG 3.26Å; E356-M360 WeakPolarHBondContact O-CG 3.5Å; E356-M360 PolarHBondContact O-N 3.45Å
357K67.3Low70.3Confident97 Ų9777 Ų7742%0.42240%0.398SS..Hα-helixtrans-55.5-44.7171.9170.6166.2-174.1-172.80111.1M349 D353 P354 M360 M361M349-K357 HydrophobicContact CE-CD 3.83Å; M349-K357 HydrophobicContact CE-CG 3.65Å; M349-K357 HydrophobicContact SD-CB 3.96Å; M349-K357 HydrophobicContact SD-CD 4.2Å; M349-K357 HydrophobicContact SD-CG 3.66Å; D353-K357 PolarHBondContact O-N 3.06Å; D353-K357 VanDerWaalsContact O-N 3.15Å; P354-K357 WeakPolarHBondContact O-CB 3.33Å; P354-K357 PolarHBondContact O-N 2.9Å; K357-M360 PolarHBondContact O-N 2.9Å; K357-M361 WeakPolarHBondContact O-CB 3.48Å; K357-M361 VanDerWaalsContact O-CG 3.26Å; K357-M361 WeakPolarHBondContact O-CG 3.24Å; K357-M361 PolarHBondContact O-N 3.31Å
358Q67.6Low70.8Confident121 Ų12173.2 Ų73.257%0.56538%0.38SS*.Hα-helixtrans-66.3-42.2178.7-173.562.115.300112.4P354 D355 E356 M361 V362P354-Q358 PolarHBondContact O-N 3.47Å; P354-Q358 VanDerWaalsContact O-N 3.14Å; D355-Q358 PolarHBondContact O-N 2.99Å; E356-Q358 VanDerWaalsContact C-N 3.27Å; E356-Q358 PolarHBondContact O-N 2.91Å; Q358-M361 PolarHBondContact O-N 2.78Å; Q358-V362 WeakPolarHBondContact O-CG2 3.48Å; Q358-V362 PolarHBondContact O-N 2.85Å; Q358-V362 VanDerWaalsContact O-N 3.07Å
359E68.9Low71.8Confident104 Ų10474.2 Ų74.249%0.48639%0.386SS..Hα-helixtrans-59.2-47.7175.7-169-171.7152.700111.1R266 D355 E356 M361 V362 T363R266-E359 IonicContact NH2-OE1 3.73Å; R266-E359 PolarHBondContact NH2-OE1 2.97Å; D355-E359 PolarHBondContact O-N 3.43Å; D355-E359 VanDerWaalsContact O-N 3.11Å; E356-E359 PolarHBondContact O-N 2.68Å; E359-M361 VanDerWaalsContact C-N 3.34Å; E359-M361 PolarHBondContact O-N 3.45Å; E359-V362 PolarHBondContact O-N 3.16Å; E359-T363 PolarHBondContact O-N 3.33Å
360M70.6Confident72.8Confident24 Ų2473.4 Ų73.412%0.11838%0.382CS..Hα-helixtrans-61.1-42.3178.4-67.3-69.4-104.100111.6V345 D348 E356 K357 V362 T363 L364V345-M360 HydrophobicContact CG1-CB 4.19Å; V345-M360 HydrophobicContact CG1-CE 4.5Å; V345-M360 HydrophobicContact CG2-CE 4.07Å; D348-M360 HydrophobicContact CB-CE 4.41Å; E356-M360 VanDerWaalsContact O-CG 3.26Å; E356-M360 WeakPolarHBondContact O-CG 3.5Å; E356-M360 PolarHBondContact O-N 3.45Å; K357-M360 PolarHBondContact O-N 2.9Å; M360-V362 PolarHBondContact O-N 3.14Å; M360-T363 PolarHBondContact O-N 3.44Å; M360-T363 VanDerWaalsContact O-N 3.13Å; M360-T363 PolarHBondContact O-OG1 2.9Å; M360-L364 PolarHBondContact O-N 2.85Å; M360-L364 VanDerWaalsContact O-N 3.1Å
361M68.9Low74Confident22 Ų2269.7 Ų69.711%0.10836%0.356CS..Hα-helixtrans-63-39.5177.4-74.6-56.7-42.900113.1M349 K357 Q358 E359 T363 L364 R365 S395M349-M361 HydrophobicContact CE-CG 4.48Å; M349-M361 HydrophobicContact CE-SD 4.15Å; K357-M361 WeakPolarHBondContact O-CB 3.48Å; K357-M361 VanDerWaalsContact O-CG 3.26Å; K357-M361 WeakPolarHBondContact O-CG 3.24Å; K357-M361 PolarHBondContact O-N 3.31Å; Q358-M361 PolarHBondContact O-N 2.78Å; E359-M361 VanDerWaalsContact C-N 3.34Å; E359-M361 PolarHBondContact O-N 3.45Å; M361-T363 PolarHBondContact O-N 2.96Å; M361-L364 PolarHBondContact O-N 3.29Å; M361-L364 VanDerWaalsContact O-N 3.17Å; M361-L364 HydrophobicContact SD-CD1 4.31Å; M361-R365 PolarHBondContact O-N 2.56Å; M361-S395 VanDerWaalsContact CE-CB 3.42Å
362V71.3Confident75.7Confident91 Ų9163.7 Ų63.755%0.55233%0.331SS*.Hα-helixtrans-61.4-35.5175.4171.30000111Q358 E359 M360 P366Q358-V362 WeakPolarHBondContact O-CG2 3.48Å; Q358-V362 PolarHBondContact O-N 2.85Å; Q358-V362 VanDerWaalsContact O-N 3.07Å; E359-V362 PolarHBondContact O-N 3.16Å; M360-V362 PolarHBondContact O-N 3.14Å; V362-P366 WeakPolarHBondContact O-CD 3.26Å
363T71.9Confident77.2Confident63 Ų6365.9 Ų65.939%0.38734%0.339SS..Hα-helixtrans-74-26.6176.467.30000114E359 M360 M361 P366E359-T363 PolarHBondContact O-N 3.33Å; M360-T363 PolarHBondContact O-N 3.44Å; M360-T363 VanDerWaalsContact O-N 3.13Å; M360-T363 PolarHBondContact O-OG1 2.9Å; M361-T363 PolarHBondContact O-N 2.96Å; T363-P366 WeakPolarHBondContact O-CD 3.42Å
364L77.6Confident78.1Confident7 Ų760.6 Ų60.64%0.03731%0.311CS..Hα-helixtrans-79.7-26.6178.6-78179.5000113.7V345 M360 M361 L367 H368V345-L364 HydrophobicContact CB-CD1 3.99Å; V345-L364 HydrophobicContact CG1-CD1 3.64Å; V345-L364 HydrophobicContact CG1-CG 4.46Å; V345-L364 HydrophobicContact CG2-CD1 4.06Å; V345-L364 HydrophobicContact CG2-CD2 3.98Å; V345-L364 HydrophobicContact CG2-CG 4.11Å; M360-L364 PolarHBondContact O-N 2.85Å; M360-L364 VanDerWaalsContact O-N 3.1Å; M361-L364 PolarHBondContact O-N 3.29Å; M361-L364 VanDerWaalsContact O-N 3.17Å; M361-L364 HydrophobicContact SD-CD1 4.31Å; L364-L367 HydrophobicContact CD2-CD2 3.92Å; L364-L367 WeakPolarHBondContact O-CA 3.31Å; L364-L367 VanDerWaalsContact O-CB 3.26Å; L364-L367 WeakPolarHBondContact O-CB 3.24Å; L364-L367 PolarHBondContact O-N 3.16Å; L364-H368 PolarHBondContact O-N 2.74Å; L364-H368 PolarHBondContact O-ND1 3.33Å
365R83.5Confident79.2Confident112 Ų11256.1 Ų56.142%0.42328%0.281SS..Hα-helixtrans-57-46.6-178.6-177.5-175.8-68.9175.5-1.4113.6M361 L367 H368 N369 D398M361-R365 PolarHBondContact O-N 2.56Å; R365-L367 PolarHBondContact O-N 3.39Å; R365-H368 PolarHBondContact O-N 2.91Å; R365-N369 PolarHBondContact O-N 3.48Å; R365-N369 PolarHBondContact O-ND2 3.12Å; R365-D398 IonicContact CZ-OD1 2.94Å; R365-D398 IonicContact CZ-OD2 2.66Å; R365-D398 IonicContact NE-OD2 3.92Å; R365-D398 PolarHBondContact NE-OD2 2.87Å; R365-D398 IonicContact NH2-OD1 3.65Å; R365-D398 PolarHBondContact NH2-OD1 3.43Å; R365-D398 VanDerWaalsContact NH2-OD1 3.12Å; R365-D398 IonicContact NH2-OD2 2.69Å; R365-D398 PolarHBondContact NH2-OD2 3.18Å
366P84.9Confident80.4Confident60 Ų6051.3 Ų51.339%0.3926%0.261SS..Hα-helixtrans-57.5-35.2173.3-25.234.6000113.6V362 T363 N369 L370V362-P366 WeakPolarHBondContact O-CD 3.26Å; T363-P366 WeakPolarHBondContact O-CD 3.42Å; P366-N369 WeakPolarHBondContact O-CB 3.37Å; P366-L370 WeakPolarHBondContact O-CB 3.41Å; P366-L370 PolarHBondContact O-N 3.44Å
367L82.5Confident81.4Confident5 Ų555 Ų553%0.02627%0.272CS..Hα-helixtrans-67.6-50.2177.6-173.279.4000111.5S338 S341 L364 R365 N369 L370 V371S338-L367 WeakPolarHBondContact OG-CD1 3.46Å; S341-L367 WeakPolarHBondContact OG-CD2 3.41Å; L364-L367 HydrophobicContact CD2-CD2 3.92Å; L364-L367 WeakPolarHBondContact O-CA 3.31Å; L364-L367 VanDerWaalsContact O-CB 3.26Å; L364-L367 WeakPolarHBondContact O-CB 3.24Å; L364-L367 PolarHBondContact O-N 3.16Å; R365-L367 PolarHBondContact O-N 3.39Å; L367-N369 VanDerWaalsContact C-N 3.25Å; L367-N369 PolarHBondContact O-N 3Å; L367-L370 WeakPolarHBondContact O-CA 3.43Å; L367-L370 WeakPolarHBondContact O-CB 3.36Å; L367-L370 PolarHBondContact O-N 3.41Å; L367-V371 WeakPolarHBondContact O-CG2 3.23Å; L367-V371 PolarHBondContact O-N 3.46Å
368H87.5Confident82.4Confident8 Ų853.6 Ų53.64%0.03727%0.269CS..Hα-helixtrans-60.2-37.4176.3-62.6137.6000111.8L364 R365 L370 V371 T372 L401L364-H368 PolarHBondContact O-N 2.74Å; L364-H368 PolarHBondContact O-ND1 3.33Å; R365-H368 PolarHBondContact O-N 2.91Å; H368-L370 VanDerWaalsContact C-N 3.33Å; H368-L370 PolarHBondContact O-N 2.95Å; H368-V371 PolarHBondContact O-N 3.35Å; H368-T372 VanDerWaalsContact O-CB 3.26Å; H368-T372 WeakPolarHBondContact O-CB 3.3Å; H368-T372 PolarHBondContact O-N 3.46Å; H368-T372 PolarHBondContact O-OG1 2.86Å; H368-L401 HydrophobicContact CB-CD1 4.28Å
369N90.2Very high83.5Confident55 Ų5557.3 Ų57.329%0.29428%0.278SS..Hα-helixtrans-60.9-42.3172.3-70.5-18.3000112.1R365 P366 L367 T372 H373 H400 Q404R365-N369 PolarHBondContact O-N 3.48Å; R365-N369 PolarHBondContact O-ND2 3.12Å; P366-N369 WeakPolarHBondContact O-CB 3.37Å; L367-N369 VanDerWaalsContact C-N 3.25Å; L367-N369 PolarHBondContact O-N 3Å; N369-T372 PolarHBondContact O-N 3.41Å; N369-H373 WeakPolarHBondContact O-CB 3.44Å; N369-H373 PolarHBondContact O-N 3.06Å; N369-H400 PolarHBondContact OD1-NE2 3.33Å; N369-Q404 PolarHBondContact OD1-NE2 3.21Å
370L87.9Confident84.5Confident21 Ų2157.3 Ų57.311%0.1128%0.278CS..Hα-helixtrans-65.6-46.2178.2176.362.2000111.7A276 E277 C280 M334 P366 L367 H368 T372 H373 L374A276-L370 HydrophobicContact CB-CD2 3.85Å; E277-L370 HydrophobicContact CG-CD2 4.37Å; C280-L370 HydrophobicContact CB-CD1 3.49Å; C280-L370 VanDerWaalsContact CB-CD1 3.49Å; C280-L370 HydrophobicContact CB-CD2 4.49Å; C280-L370 WeakPolarHBondContact SG-CD1 3.37Å; M334-L370 HydrophobicContact CE-CD1 3.96Å; M334-L370 HydrophobicContact CE-CG 4.41Å; P366-L370 WeakPolarHBondContact O-CB 3.41Å; P366-L370 PolarHBondContact O-N 3.44Å; L367-L370 WeakPolarHBondContact O-CA 3.43Å; L367-L370 WeakPolarHBondContact O-CB 3.36Å; L367-L370 PolarHBondContact O-N 3.41Å; H368-L370 VanDerWaalsContact C-N 3.33Å; H368-L370 PolarHBondContact O-N 2.95Å; L370-T372 VanDerWaalsContact C-N 3.33Å; L370-T372 PolarHBondContact O-N 3.19Å; L370-H373 PolarHBondContact O-N 3.43Å; L370-L374 WeakPolarHBondContact O-CB 3.11Å; L370-L374 PolarHBondContact O-N 3.44Å
371V88.4Confident85.5Confident6 Ų658.2 Ų58.24%0.03628%0.281CS..Hα-helixtrans-63.2-41.7176.8176.20000110.8Y335 S338 L367 H368 H373 L374 L375 V387Y335-V371 HydrophobicContact CD2-CG1 4.33Å; Y335-V371 HydrophobicContact CE2-CG1 4.32Å; S338-V371 VanDerWaalsContact CB-CG2 3.43Å; S338-V371 WeakPolarHBondContact OG-CG2 3.36Å; L367-V371 WeakPolarHBondContact O-CG2 3.23Å; L367-V371 PolarHBondContact O-N 3.46Å; H368-V371 PolarHBondContact O-N 3.35Å; V371-H373 PolarHBondContact O-N 3.24Å; V371-L374 WeakPolarHBondContact O-CB 3.41Å; V371-L374 PolarHBondContact O-N 3.38Å; V371-L375 HydrophobicContact CG1-CD1 3.73Å; V371-L375 HydrophobicContact CG1-CG 4.11Å; V371-L375 WeakPolarHBondContact O-CB 3.46Å; V371-L375 WeakPolarHBondContact O-CG 3.49Å; V371-L375 PolarHBondContact O-N 3.17Å; V371-V387 HydrophobicContact CG1-CG1 4.08Å
372T91.7Very high86.6Confident22 Ų2263 Ų6314%0.13530%0.298CS..Hα-helixtrans-59.3-47.7175-59.80000111.2H368 N369 L370 L374 A376 L384 Q404H368-T372 VanDerWaalsContact O-CB 3.26Å; H368-T372 WeakPolarHBondContact O-CB 3.3Å; H368-T372 PolarHBondContact O-N 3.46Å; H368-T372 PolarHBondContact O-OG1 2.86Å; N369-T372 PolarHBondContact O-N 3.41Å; L370-T372 VanDerWaalsContact C-N 3.33Å; L370-T372 PolarHBondContact O-N 3.19Å; T372-L374 PolarHBondContact O-N 3.2Å; T372-A376 WeakPolarHBondContact O-CB 3.42Å; T372-A376 PolarHBondContact O-N 3.47Å; T372-L384 HydrophobicContact CG2-CD1 4.26Å; T372-L384 HydrophobicContact CG2-CD2 4.2Å; T372-Q404 HydrophobicContact CG2-CG 4.42Å; T372-Q404 PolarHBondContact OG1-OE1 2.95Å
373H90.1Very high87.6Confident124 Ų12461 Ų6157%0.57428%0.284SS*.Hα-helixtrans-61-44.5176.5-175.472000112N369 L370 V371 Y377N369-H373 WeakPolarHBondContact O-CB 3.44Å; N369-H373 PolarHBondContact O-N 3.06Å; L370-H373 PolarHBondContact O-N 3.43Å; V371-H373 PolarHBondContact O-N 3.24Å; H373-Y377 VanDerWaalsContact O-CB 3.29Å; H373-Y377 WeakPolarHBondContact O-CB 3.38Å; H373-Y377 PolarHBondContact O-N 3.36Å
374L88.2Confident88.6Confident7 Ų758.2 Ų58.24%0.03727%0.267CS..Hα-helixtrans-60.7-54.9179.2173.961.9000112.1F331 M334 L370 V371 T372 Y377 L378F331-L374 HydrophobicContact CB-CD1 3.88Å; F331-L374 HydrophobicContact CD1-CD1 3.16Å; F331-L374 HydrophobicContact CE1-CD1 3.9Å; F331-L374 HydrophobicContact CG-CD1 3.82Å; M334-L374 HydrophobicContact CB-CD2 4.05Å; M334-L374 HydrophobicContact CE-CD1 4.28Å; M334-L374 HydrophobicContact CE-CD2 4.36Å; L370-L374 WeakPolarHBondContact O-CB 3.11Å; L370-L374 PolarHBondContact O-N 3.44Å; V371-L374 WeakPolarHBondContact O-CB 3.41Å; V371-L374 PolarHBondContact O-N 3.38Å; T372-L374 PolarHBondContact O-N 3.2Å; L374-Y377 WeakPolarHBondContact O-CB 3.48Å; L374-Y377 PolarHBondContact O-N 3.36Å; L374-L378 HydrophobicContact CD1-CD1 4.05Å; L374-L378 HydrophobicContact CD1-CG 4.49Å; L374-L378 HydrophobicContact CG-CD1 4.36Å; L374-L378 WeakPolarHBondContact O-CG 3.44Å; L374-L378 PolarHBondContact O-N 2.72Å
375L91Very high89.3Confident5 Ų558 Ų583%0.02627%0.265CS..Hα-helixtrans-71.4-32.8-175.7-64.2-179.2000111.8Y335 V371 L378 R379 Q380 L383 L384 V387Y335-L375 HydrophobicContact CD2-CD2 4.38Å; Y335-L375 HydrophobicContact CE2-CD1 4.17Å; V371-L375 HydrophobicContact CG1-CD1 3.73Å; V371-L375 HydrophobicContact CG1-CG 4.11Å; V371-L375 WeakPolarHBondContact O-CB 3.46Å; V371-L375 WeakPolarHBondContact O-CG 3.49Å; V371-L375 PolarHBondContact O-N 3.17Å; L375-L378 CarbonylContact O-C 3.59Å; L375-L378 PolarHBondContact O-N 2.86Å; L375-R379 PolarHBondContact O-N 3.12Å; L375-Q380 HydrophobicContact CD2-CB 4.27Å; L375-Q380 PolarHBondContact O-N 3.05Å; L375-L383 HydrophobicContact CD1-CD2 4.35Å; L375-L383 HydrophobicContact CD1-CG 4.08Å; L375-L383 HydrophobicContact CD2-CD2 3.88Å; L375-L383 HydrophobicContact CD2-CG 4.46Å; L375-L384 HydrophobicContact CB-CB 3.94Å; L375-L384 HydrophobicContact CB-CD1 4.24Å; L375-L384 HydrophobicContact CB-CG 4.49Å; L375-L384 HydrophobicContact CD1-CB 3.96Å; L375-L384 HydrophobicContact CD1-CD1 4.09Å; L375-V387 HydrophobicContact CD1-CG2 4.46Å
376A90.8Very high89.6Confident38 Ų3856.2 Ų56.231%0.31426%0.264SS..Hα-helixtrans-65.3-41.2171.700000111.8T372 L378 R379 F381T372-A376 WeakPolarHBondContact O-CB 3.42Å; T372-A376 PolarHBondContact O-N 3.47Å; A376-L378 VanDerWaalsContact C-N 3.31Å; A376-L378 PolarHBondContact O-N 3.47Å; A376-R379 PolarHBondContact O-N 2.86Å; A376-F381 HydrophobicContact CB-CE1 4.23Å
377Y87.9Confident89.7Confident163 Ų16354 Ų5464%0.63925%0.25SS*.Hα-helixtrans-60.7-41.3174.4178.8-99000111.8F331 H373 L374 R379F331-Y377 HydrophobicContact CZ-CD1 4.43Å; F331-Y377 HydrophobicContact CZ-CE1 4.1Å; H373-Y377 VanDerWaalsContact O-CB 3.29Å; H373-Y377 WeakPolarHBondContact O-CB 3.38Å; H373-Y377 PolarHBondContact O-N 3.36Å; L374-Y377 WeakPolarHBondContact O-CB 3.48Å; L374-Y377 PolarHBondContact O-N 3.36Å; Y377-R379 PolarHBondContact O-N 3.03Å
378L89.1Confident90Very high67 Ų6753.9 Ų53.935%0.35125%0.249SC..THydrogen-bonded Turntrans-78.5-2.4176-62.2175.7000113.9F331 L374 L375 A376 Q380F331-L378 HydrophobicContact CB-CD1 4.17Å; F331-L378 HydrophobicContact CD2-CD2 4.16Å; F331-L378 HydrophobicContact CE2-CD2 4.3Å; F331-L378 HydrophobicContact CG-CD1 4.37Å; L374-L378 HydrophobicContact CD1-CD1 4.05Å; L374-L378 HydrophobicContact CD1-CG 4.49Å; L374-L378 HydrophobicContact CG-CD1 4.36Å; L374-L378 WeakPolarHBondContact O-CG 3.44Å; L374-L378 PolarHBondContact O-N 2.72Å; L375-L378 CarbonylContact O-C 3.59Å; L375-L378 PolarHBondContact O-N 2.86Å; A376-L378 VanDerWaalsContact C-N 3.31Å; A376-L378 PolarHBondContact O-N 3.47Å; L378-Q380 HydrophobicContact CB-CG 3.97Å; L378-Q380 PolarHBondContact O-N 3.01Å
379R89.9Confident90.2Very high199 Ų19955.5 Ų55.575%0.75126%0.261SS*.THydrogen-bonded Turntrans54.429.2-174.2-57.5-175.5174.4-155.4-2.1114.2L375 A376 Y377 F381L375-R379 PolarHBondContact O-N 3.12Å; A376-R379 PolarHBondContact O-N 2.86Å; Y377-R379 PolarHBondContact O-N 3.03Å; R379-F381 VanDerWaalsContact C-N 3.27Å; R379-F381 HydrophobicContact CB-CE2 3.94Å; R379-F381 HydrophobicContact CB-CZ 4.35Å; R379-F381 HydrophobicContact CG-CE2 4.31Å; R379-F381 HydrophobicContact CG-CZ 4.41Å; R379-F381 PolarHBondContact O-N 3.26Å; R379-F381 VanDerWaalsContact O-N 3.16Å
380Q91Very high89.8Confident105 Ų10555.5 Ų55.549%0.49126%0.263SS..  trans-8960.1177.7-65.4-61.7-34.600110.5L375 L378 R382 L383 L384L375-Q380 HydrophobicContact CD2-CB 4.27Å; L375-Q380 PolarHBondContact O-N 3.05Å; L378-Q380 HydrophobicContact CB-CG 3.97Å; L378-Q380 PolarHBondContact O-N 3.01Å; Q380-R382 PolarHBondContact O-N 3.13Å; Q380-L383 HydrophobicContact CB-CB 4.32Å; Q380-L383 PolarHBondContact O-N 3.08Å; Q380-L384 PolarHBondContact O-N 3.08Å
381F92.1Very high89.7Confident43 Ų4354.5 Ų54.519%0.18926%0.258CS..Hα-helixtrans-65.9-35.8-172.6-58.7-63.4000113.1A376 R379 L383 L384 T385 C411 D412A376-F381 HydrophobicContact CB-CE1 4.23Å; R379-F381 VanDerWaalsContact C-N 3.27Å; R379-F381 HydrophobicContact CB-CE2 3.94Å; R379-F381 HydrophobicContact CB-CZ 4.35Å; R379-F381 HydrophobicContact CG-CE2 4.31Å; R379-F381 HydrophobicContact CG-CZ 4.41Å; R379-F381 PolarHBondContact O-N 3.26Å; R379-F381 VanDerWaalsContact O-N 3.16Å; F381-L383 PolarHBondContact O-N 3.13Å; F381-L384 HydrophobicContact CD1-CD2 4.42Å; F381-L384 WeakPolarHBondContact O-CB 3.47Å; F381-L384 PolarHBondContact O-N 2.9Å; F381-T385 WeakPolarHBondContact O-CG2 3.23Å; F381-T385 PolarHBondContact O-N 3.35Å; F381-C411 HydrophobicContact CB-CB 4.35Å; F381-C411 HydrophobicContact CD1-CB 3.38Å; F381-C411 HydrophobicContact CD2-CB 3.82Å; F381-C411 HydrophobicContact CE1-CB 3.45Å; F381-C411 VanDerWaalsContact CE1-CB 3.45Å; F381-C411 HydrophobicContact CE2-CB 3.88Å; F381-C411 HydrophobicContact CG-CB 3.58Å; F381-C411 HydrophobicContact CZ-CB 3.71Å; F381-D412 HydrophobicContact CB-CB 3.82Å
382R92Very high89.6Confident121 Ų12154.4 Ų54.446%0.45726%0.257SS..Hα-helixtrans-58.9-48.8174-171.472.1-170.194.418.6112.4Q380 L384 T385 D386 D412Q380-R382 PolarHBondContact O-N 3.13Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-L384 PolarHBondContact O-N 3.47Å; R382-T385 PolarHBondContact NH1-OG1 3.09Å; R382-T385 PolarHBondContact O-N 2.74Å; R382-T385 PolarHBondContact O-OG1 2.95Å; R382-D386 IonicContact CZ-OD1 2.78Å; R382-D386 VanDerWaalsContact CZ-OD1 3.31Å; R382-D386 IonicContact CZ-OD2 3.76Å; R382-D386 IonicContact NH1-OD1 3.3Å; R382-D386 PolarHBondContact NH1-OD1 2.7Å; R382-D386 IonicContact NH1-OD2 2.82Å; R382-D386 IonicContact NH2-OD1 3.82Å; R382-D386 PolarHBondContact NH2-OD1 3.48Å; R382-D386 VanDerWaalsContact NH2-OD1 3.13Å; R382-D386 IonicContact NH2-OD2 2.64Å; R382-D386 PolarHBondContact O-N 2.72Å; R382-D412 PolarHBondContact N-OD1 2.91Å
383L91Very high89.2Confident51 Ų5158 Ų5827%0.26728%0.275SS..Hα-helixtrans-62.8-40.5176.2-178.160.4000111.1Y335 L375 Q380 F381 T385 D386 V387Y335-L383 HydrophobicContact CE2-CD2 4.33Å; L375-L383 HydrophobicContact CD1-CD2 4.35Å; L375-L383 HydrophobicContact CD1-CG 4.08Å; L375-L383 HydrophobicContact CD2-CD2 3.88Å; L375-L383 HydrophobicContact CD2-CG 4.46Å; Q380-L383 HydrophobicContact CB-CB 4.32Å; Q380-L383 PolarHBondContact O-N 3.08Å; F381-L383 PolarHBondContact O-N 3.13Å; L383-T385 VanDerWaalsContact C-N 3.33Å; L383-T385 PolarHBondContact O-N 3.46Å; L383-D386 PolarHBondContact O-N 3.01Å; L383-V387 HydrophobicContact CD1-CG2 4.45Å; L383-V387 WeakPolarHBondContact O-CG2 3.42Å; L383-V387 PolarHBondContact O-N 3.29Å
384L92.5Very high88.6Confident4 Ų455.7 Ų55.72%0.02126%0.262CS..Hα-helixtrans-59.6-42.5176.4178.758.9000112.2T372 L375 Q380 F381 R382 D386 V387 L388T372-L384 HydrophobicContact CG2-CD1 4.26Å; T372-L384 HydrophobicContact CG2-CD2 4.2Å; L375-L384 HydrophobicContact CB-CB 3.94Å; L375-L384 HydrophobicContact CB-CD1 4.24Å; L375-L384 HydrophobicContact CB-CG 4.49Å; L375-L384 HydrophobicContact CD1-CB 3.96Å; L375-L384 HydrophobicContact CD1-CD1 4.09Å; Q380-L384 PolarHBondContact O-N 3.08Å; F381-L384 HydrophobicContact CD1-CD2 4.42Å; F381-L384 WeakPolarHBondContact O-CB 3.47Å; F381-L384 PolarHBondContact O-N 2.9Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-L384 PolarHBondContact O-N 3.47Å; L384-D386 VanDerWaalsContact C-N 3.3Å; L384-D386 PolarHBondContact O-N 3.48Å; L384-V387 PolarHBondContact O-N 3.42Å; L384-L388 HydrophobicContact CD1-CD1 3.74Å; L384-L388 HydrophobicContact CD1-CG 3.85Å; L384-L388 HydrophobicContact CG-CD1 3.88Å; L384-L388 HydrophobicContact CG-CG 4.37Å; L384-L388 WeakPolarHBondContact O-CB 3.48Å; L384-L388 WeakPolarHBondContact O-CG 3.36Å; L384-L388 PolarHBondContact O-N 3.25Å
385T92.6Very high88.2Confident1 Ų156.1 Ų56.11%0.00627%0.266CS..Hα-helixtrans-62.3-38.4176.759.70000111.7F381 R382 L383 C389 Y405 S408 F409F381-T385 WeakPolarHBondContact O-CG2 3.23Å; F381-T385 PolarHBondContact O-N 3.35Å; R382-T385 PolarHBondContact NH1-OG1 3.09Å; R382-T385 PolarHBondContact O-N 2.74Å; R382-T385 PolarHBondContact O-OG1 2.95Å; L383-T385 VanDerWaalsContact C-N 3.33Å; L383-T385 PolarHBondContact O-N 3.46Å; T385-C389 WeakPolarHBondContact O-CB 3.21Å; T385-C389 PolarHBondContact O-N 3.23Å; T385-Y405 VanDerWaalsContact O-CE2 3.3Å; T385-Y405 WeakPolarHBondContact O-CE2 3.31Å; T385-S408 VanDerWaalsContact CG2-OG 3.3Å; T385-S408 WeakPolarHBondContact CG2-OG 3.19Å; T385-F409 HydrophobicContact CG2-CD1 3.56Å; T385-F409 HydrophobicContact CG2-CE1 3.71Å; T385-F409 HydrophobicContact CG2-CG 4.19Å; T385-F409 HydrophobicContact CG2-CZ 4.46Å
386D89.8Confident87.8Confident75 Ų7561.9 Ų61.940%0.40129%0.293SS..Hα-helixtrans-70-39.8-179.6-65.1-24.4000111.2R382 L383 L384 C389 T390R382-D386 IonicContact CZ-OD1 2.78Å; R382-D386 VanDerWaalsContact CZ-OD1 3.31Å; R382-D386 IonicContact CZ-OD2 3.76Å; R382-D386 IonicContact NH1-OD1 3.3Å; R382-D386 PolarHBondContact NH1-OD1 2.7Å; R382-D386 IonicContact NH1-OD2 2.82Å; R382-D386 IonicContact NH2-OD1 3.82Å; R382-D386 PolarHBondContact NH2-OD1 3.48Å; R382-D386 VanDerWaalsContact NH2-OD1 3.13Å; R382-D386 IonicContact NH2-OD2 2.64Å; R382-D386 PolarHBondContact O-N 2.72Å; L383-D386 PolarHBondContact O-N 3.01Å; L384-D386 VanDerWaalsContact C-N 3.3Å; L384-D386 PolarHBondContact O-N 3.48Å; D386-C389 WeakPolarHBondContact O-CB 3.43Å; D386-C389 PolarHBondContact O-N 3.32Å; D386-T390 PolarHBondContact O-N 2.62Å
387V87.2Confident87.4Confident15 Ų1568 Ų689%0.09132%0.315CS..Hα-helixtrans-69.6-42.4176.5176.70000112Y335 V371 L375 L383 L384 C389 T390 A391Y335-V387 HydrophobicContact CE2-CG2 3.98Å; Y335-V387 VanDerWaalsContact OH-CG2 3.31Å; Y335-V387 WeakPolarHBondContact OH-CG2 3.43Å; V371-V387 HydrophobicContact CG1-CG1 4.08Å; L375-V387 HydrophobicContact CD1-CG2 4.46Å; L383-V387 HydrophobicContact CD1-CG2 4.45Å; L383-V387 WeakPolarHBondContact O-CG2 3.42Å; L383-V387 PolarHBondContact O-N 3.29Å; L384-V387 PolarHBondContact O-N 3.42Å; V387-C389 PolarHBondContact O-N 2.73Å; V387-T390 PolarHBondContact O-N 2.88Å; V387-T390 PolarHBondContact O-OG1 3.47Å; V387-A391 PolarHBondContact O-N 3.27Å
388L90.1Very high87.4Confident1 Ų161.3 Ų61.31%0.00529%0.29CS..Hα-helixtrans-68.4-27177.4-71.5177.1000112L384 A391 V392 L401 Q404 Y405L384-L388 HydrophobicContact CD1-CD1 3.74Å; L384-L388 HydrophobicContact CD1-CG 3.85Å; L384-L388 HydrophobicContact CG-CD1 3.88Å; L384-L388 HydrophobicContact CG-CG 4.37Å; L384-L388 WeakPolarHBondContact O-CB 3.48Å; L384-L388 WeakPolarHBondContact O-CG 3.36Å; L384-L388 PolarHBondContact O-N 3.25Å; L388-A391 PolarHBondContact O-N 3.13Å; L388-V392 WeakPolarHBondContact O-CB 3.4Å; L388-V392 WeakPolarHBondContact O-CG2 3.45Å; L388-V392 PolarHBondContact O-N 3.27Å; L388-L401 HydrophobicContact CD2-CD1 3.71Å; L388-Q404 HydrophobicContact CD1-CB 4.02Å; L388-Y405 HydrophobicContact CB-CD2 3.62Å; L388-Y405 HydrophobicContact CB-CE2 4.31Å; L388-Y405 HydrophobicContact CB-CG 4.34Å
389C89.9Confident87.5Confident42 Ų4260.3 Ų60.328%0.28429%0.288SS..Hα-helixtrans-61-46.6174.5-1730000111.8T385 D386 V387 V392 N393 Y405T385-C389 WeakPolarHBondContact O-CB 3.21Å; T385-C389 PolarHBondContact O-N 3.23Å; D386-C389 WeakPolarHBondContact O-CB 3.43Å; D386-C389 PolarHBondContact O-N 3.32Å; V387-C389 PolarHBondContact O-N 2.73Å; C389-V392 PolarHBondContact O-N 2.89Å; C389-N393 PolarHBondContact O-N 2.69Å; C389-N393 PolarHBondContact O-ND2 3.4Å; C389-Y405 HydrophobicContact CB-CE2 4.19Å
390T83.7Confident87.5Confident55 Ų5554 Ų5434%0.33727%0.267SS..Hα-helixtrans-61-48.5176.9570000110.2E342 D386 V387 V392 N393 Y394E342-T390 PolarHBondContact OE1-OG1 2.85Å; D386-T390 PolarHBondContact O-N 2.62Å; V387-T390 PolarHBondContact O-N 2.88Å; V387-T390 PolarHBondContact O-OG1 3.47Å; T390-V392 PolarHBondContact O-N 2.83Å; T390-N393 WeakPolarHBondContact O-CB 3.3Å; T390-N393 PolarHBondContact O-N 3.44Å; T390-Y394 WeakPolarHBondContact O-CD2 3.42Å; T390-Y394 WeakPolarHBondContact O-CE2 3.43Å; T390-Y394 PolarHBondContact O-N 3.22Å
391A83.9Confident87.5Confident1 Ų149.2 Ų49.21%0.00825%0.245CC..Hα-helixtrans-56.9-46.3177.800000112.8V387 L388 N393 Y394 S395 L401V387-A391 PolarHBondContact O-N 3.27Å; L388-A391 PolarHBondContact O-N 3.13Å; A391-N393 VanDerWaalsContact C-N 3.32Å; A391-N393 PolarHBondContact O-N 2.96Å; A391-Y394 PolarHBondContact O-N 3.31Å; A391-S395 PolarHBondContact O-N 3.18Å; A391-S395 VanDerWaalsContact O-N 3.14Å; A391-S395 PolarHBondContact O-OG 3.03Å; A391-L401 VanDerWaalsContact C-CD2 3.42Å; A391-L401 HydrophobicContact CB-CD1 4.12Å; A391-L401 HydrophobicContact CB-CD2 3.73Å; A391-L401 HydrophobicContact CB-CG 4.46Å
392V87Confident87.5Confident3 Ų348.7 Ų48.72%0.01824%0.241CC..Hα-helixtrans-65.1-35.7-179.7168.20000111.7L388 C389 T390 Y394 S395 Q396 L401 W402 Y405L388-V392 WeakPolarHBondContact O-CB 3.4Å; L388-V392 WeakPolarHBondContact O-CG2 3.45Å; L388-V392 PolarHBondContact O-N 3.27Å; C389-V392 PolarHBondContact O-N 2.89Å; T390-V392 PolarHBondContact O-N 2.83Å; V392-Y394 PolarHBondContact O-N 3.11Å; V392-S395 CarbonylContact O-C 3.49Å; V392-S395 PolarHBondContact O-N 3.29Å; V392-Q396 WeakPolarHBondContact O-CA 2.97Å; V392-Q396 WeakPolarHBondContact O-CG 3.5Å; V392-Q396 PolarHBondContact O-N 3.34Å; V392-Q396 VanDerWaalsContact O-N 3.15Å; V392-L401 HydrophobicContact CB-CD2 4.26Å; V392-L401 HydrophobicContact CG2-CB 4.44Å; V392-L401 HydrophobicContact CG2-CD2 3.65Å; V392-L401 HydrophobicContact CG2-CG 3.62Å; V392-W402 HydrophobicContact CG1-CD2 3.88Å; V392-W402 HydrophobicContact CG1-CE3 4.14Å; V392-W402 HydrophobicContact CG1-CH2 3.45Å; V392-W402 VanDerWaalsContact CG1-CH2 3.45Å; V392-W402 HydrophobicContact CG1-CZ2 3.14Å; V392-W402 HydrophobicContact CG1-CZ3 3.94Å; V392-Y405 HydrophobicContact CG2-CD1 4.17Å; V392-Y405 HydrophobicContact CG2-CG 4.22Å
393N83.9Confident87.6Confident97 Ų9744.7 Ų44.752%0.51923%0.229SC..Hα-helixtrans-62.5-33.3176.4-70.9-33.1000112.2C389 T390 A391C389-N393 PolarHBondContact O-N 2.69Å; C389-N393 PolarHBondContact O-ND2 3.4Å; T390-N393 WeakPolarHBondContact O-CB 3.3Å; T390-N393 PolarHBondContact O-N 3.44Å; A391-N393 VanDerWaalsContact C-N 3.32Å; A391-N393 PolarHBondContact O-N 2.96Å
394Y77.7Confident87.7Confident76 Ų7643.6 Ų43.630%0.29822%0.222SC..Hα-helixtrans-76.6-37.2176.2-64.1-59.6000113.2E346 T390 A391 V392E346-Y394 HydrophobicContact CG-CE1 4.19Å; E346-Y394 VanDerWaalsContact CG-OH 3.27Å; E346-Y394 WeakPolarHBondContact CG-OH 3.39Å; E346-Y394 PolarHBondContact OE1-OH 3.09Å; E346-Y394 PolarHBondContact OE2-OH 3.19Å; T390-Y394 WeakPolarHBondContact O-CD2 3.42Å; T390-Y394 WeakPolarHBondContact O-CE2 3.43Å; T390-Y394 PolarHBondContact O-N 3.22Å; A391-Y394 PolarHBondContact O-N 3.31Å; V392-Y394 PolarHBondContact O-N 3.11Å
395S78.3Confident87.8Confident17 Ų1744.7 Ų44.712%0.11923%0.226CC..  trans-124.371.4-178.961.30000112.3M361 A391 V392 E397 D398 L401M361-S395 VanDerWaalsContact CE-CB 3.42Å; A391-S395 PolarHBondContact O-N 3.18Å; A391-S395 VanDerWaalsContact O-N 3.14Å; A391-S395 PolarHBondContact O-OG 3.03Å; V392-S395 CarbonylContact O-C 3.49Å; V392-S395 PolarHBondContact O-N 3.29Å; S395-E397 PolarHBondContact O-N 3.2Å; S395-E397 VanDerWaalsContact O-N 3.14Å; S395-D398 PolarHBondContact O-N 3.3Å; S395-L401 VanDerWaalsContact OG-CD2 3.27Å; S395-L401 WeakPolarHBondContact OG-CD2 3.46Å
396Q83.1Confident87.9Confident125 Ų12544.7 Ų44.758%0.58423%0.226SC*.THydrogen-bonded Turntrans-63.2-20.3-178.9-63.6-177.91.500113.2V392 W402 L428V392-Q396 WeakPolarHBondContact O-CA 2.97Å; V392-Q396 WeakPolarHBondContact O-CG 3.5Å; V392-Q396 PolarHBondContact O-N 3.34Å; V392-Q396 VanDerWaalsContact O-N 3.15Å; Q396-W402 PolarHBondContact O-NE1 2.97Å; Q396-L428 VanDerWaalsContact O-CD1 3.3Å; Q396-L428 WeakPolarHBondContact O-CD1 3.46Å
397E83.9Confident88.2Confident168 Ų16844.2 Ų44.279%0.78522%0.223SC*.THydrogen-bonded Turntrans-95-0.7-177.2-60.4-179176.300113.8S395 P399S395-E397 PolarHBondContact O-N 3.2Å; S395-E397 VanDerWaalsContact O-N 3.14Å; E397-P399 WeakPolarHBondContact O-CD 3.48Å
398D87.2Confident88.5Confident21 Ų2143.7 Ų43.711%0.11222%0.22CC..  trans-87.4104.6-177.5-169-9.6000112.2R365 S395 H400 L401 W402R365-D398 IonicContact CZ-OD1 2.94Å; R365-D398 IonicContact CZ-OD2 2.66Å; R365-D398 IonicContact NE-OD2 3.92Å; R365-D398 PolarHBondContact NE-OD2 2.87Å; R365-D398 IonicContact NH2-OD1 3.65Å; R365-D398 PolarHBondContact NH2-OD1 3.43Å; R365-D398 VanDerWaalsContact NH2-OD1 3.12Å; R365-D398 IonicContact NH2-OD2 2.69Å; R365-D398 PolarHBondContact NH2-OD2 3.18Å; S395-D398 PolarHBondContact O-N 3.3Å; D398-H400 VanDerWaalsContact C-N 3.26Å; D398-H400 PolarHBondContact O-N 2.93Å; D398-H400 WeakPolarHBondContact OD1-CB 3.44Å; D398-H400 PolarHBondContact OD1-N 3.36Å; D398-L401 HydrophobicContact CB-CB 4.15Å; D398-L401 PolarHBondContact O-N 2.84Å; D398-W402 VanDerWaalsContact O-CD1 3.24Å; D398-W402 PolarHBondContact O-N 2.99Å
399P89.9Confident88.6Confident46 Ų4643.9 Ų43.930%0.29922%0.221SC..Hα-helixtrans-64.3-30.8-17927.6-35.8000112.6E397 L401 W402 L403 L425 L429E397-P399 WeakPolarHBondContact O-CD 3.48Å; P399-L401 VanDerWaalsContact C-N 3.31Å; P399-L401 PolarHBondContact O-N 3.47Å; P399-W402 PolarHBondContact O-N 3.06Å; P399-L403 PolarHBondContact O-N 2.73Å; P399-L425 HydrophobicContact CB-CD1 3.68Å; P399-L425 WeakPolarHBondContact O-CD1 3.32Å; P399-L429 HydrophobicContact CB-CD2 3.9Å; P399-L429 HydrophobicContact CB-CG 4.48Å; P399-L429 HydrophobicContact CG-CD2 4.41Å
400H90.6Very high88.7Confident68 Ų6843.5 Ų43.532%0.31522%0.218SC..Hα-helixtrans-64.4-40.3-179.317573.6000111.3N369 D398 L403 Q404N369-H400 PolarHBondContact OD1-NE2 3.33Å; D398-H400 VanDerWaalsContact C-N 3.26Å; D398-H400 PolarHBondContact O-N 2.93Å; D398-H400 WeakPolarHBondContact OD1-CB 3.44Å; D398-H400 PolarHBondContact OD1-N 3.36Å; H400-L403 PolarHBondContact O-N 3.3Å; H400-Q404 PolarHBondContact NE2-NE2 3.29Å; H400-Q404 VanDerWaalsContact NE2-NE2 3.11Å; H400-Q404 PolarHBondContact O-N 3.43Å
401L90.3Very high89Confident4 Ų444.1 Ų44.12%0.02122%0.223CC..Hα-helixtrans-71.2-40179.1-167.968.4000111.6H368 L388 A391 V392 S395 D398 P399 L403 Q404 Y405H368-L401 HydrophobicContact CB-CD1 4.28Å; L388-L401 HydrophobicContact CD2-CD1 3.71Å; A391-L401 VanDerWaalsContact C-CD2 3.42Å; A391-L401 HydrophobicContact CB-CD1 4.12Å; A391-L401 HydrophobicContact CB-CD2 3.73Å; A391-L401 HydrophobicContact CB-CG 4.46Å; V392-L401 HydrophobicContact CB-CD2 4.26Å; V392-L401 HydrophobicContact CG2-CB 4.44Å; V392-L401 HydrophobicContact CG2-CD2 3.65Å; V392-L401 HydrophobicContact CG2-CG 3.62Å; S395-L401 VanDerWaalsContact OG-CD2 3.27Å; S395-L401 WeakPolarHBondContact OG-CD2 3.46Å; D398-L401 HydrophobicContact CB-CB 4.15Å; D398-L401 PolarHBondContact O-N 2.84Å; P399-L401 VanDerWaalsContact C-N 3.31Å; P399-L401 PolarHBondContact O-N 3.47Å; L401-L403 VanDerWaalsContact C-N 3.3Å; L401-L403 PolarHBondContact O-N 3.19Å; L401-Q404 PolarHBondContact O-N 3.42Å; L401-Y405 WeakPolarHBondContact O-CB 3.33Å; L401-Y405 PolarHBondContact O-N 3.34Å
402W93.5Very high89.2Confident32 Ų3246 Ų4612%0.12123%0.233CC..Hα-helixtrans-61.5-36.4173.3-80.4107.5000113V392 Q396 D398 P399 Y405 A406 A421 V424 L425 L428V392-W402 HydrophobicContact CG1-CD2 3.88Å; V392-W402 HydrophobicContact CG1-CE3 4.14Å; V392-W402 HydrophobicContact CG1-CH2 3.45Å; V392-W402 VanDerWaalsContact CG1-CH2 3.45Å; V392-W402 HydrophobicContact CG1-CZ2 3.14Å; V392-W402 HydrophobicContact CG1-CZ3 3.94Å; Q396-W402 PolarHBondContact O-NE1 2.97Å; D398-W402 VanDerWaalsContact O-CD1 3.24Å; D398-W402 PolarHBondContact O-N 2.99Å; P399-W402 PolarHBondContact O-N 3.06Å; W402-Y405 AromaticContact CE3-CD1 3.94Å; W402-Y405 HydrophobicContact CE3-CD1 3.94Å; W402-Y405 AromaticContact CZ3-CD1 3.85Å; W402-Y405 HydrophobicContact CZ3-CD1 3.85Å; W402-Y405 HydrophobicContact CZ3-CE1 4.13Å; W402-Y405 PolarHBondContact O-N 3.48Å; W402-A406 WeakPolarHBondContact O-CB 3.47Å; W402-A406 PolarHBondContact O-N 3.04Å; W402-A421 HydrophobicContact CE3-CB 4.19Å; W402-A421 HydrophobicContact CZ3-CB 4.34Å; W402-V424 HydrophobicContact CD2-CB 4.22Å; W402-V424 HydrophobicContact CD2-CG1 3.89Å; W402-V424 HydrophobicContact CE3-CB 4.08Å; W402-V424 HydrophobicContact CE3-CG1 4.19Å; W402-V424 HydrophobicContact CH2-CB 4.13Å; W402-V424 HydrophobicContact CH2-CG1 3.85Å; W402-V424 HydrophobicContact CH2-CG2 4.19Å; W402-V424 HydrophobicContact CZ2-CB 4.25Å; W402-V424 HydrophobicContact CZ2-CG1 3.49Å; W402-V424 VanDerWaalsContact CZ2-CG1 3.49Å; W402-V424 HydrophobicContact CZ3-CB 4.04Å; W402-V424 HydrophobicContact CZ3-CG1 4.18Å; W402-V424 HydrophobicContact CZ3-CG2 4.26Å; W402-L425 HydrophobicContact CB-CB 4.1Å; W402-L425 HydrophobicContact CB-CD1 4.18Å; W402-L428 HydrophobicContact CG-CD1 4.18Å
403L94Very high89.1Confident36 Ų3651.5 Ų51.519%0.18826%0.259CS..Hα-helixtrans-64.2-47.7174.5178.761.9000111.4P399 H400 L401 Y405 A406 L407 F422 L425 D438P399-L403 PolarHBondContact O-N 2.73Å; H400-L403 PolarHBondContact O-N 3.3Å; L401-L403 VanDerWaalsContact C-N 3.3Å; L401-L403 PolarHBondContact O-N 3.19Å; L403-Y405 VanDerWaalsContact C-N 3.27Å; L403-Y405 PolarHBondContact O-N 3.35Å; L403-A406 PolarHBondContact O-N 2.84Å; L403-L407 HydrophobicContact CD1-CD1 4.09Å; L403-L407 HydrophobicContact CD1-CG 4.2Å; L403-L407 HydrophobicContact CG-CD1 4.1Å; L403-L407 WeakPolarHBondContact O-CB 3.45Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.35Å; L403-L407 PolarHBondContact O-N 3.07Å; L403-F422 HydrophobicContact CD1-CE1 4.15Å; L403-L425 HydrophobicContact CB-CD1 4.47Å; L403-L425 HydrophobicContact CB-CD2 4.16Å; L403-L425 HydrophobicContact CD1-CD2 3.99Å; L403-D438 HydrophobicContact CD1-CB 4.45Å
404Q93.6Very high89.4Confident29 Ų2949.7 Ų49.714%0.13625%0.247CC..Hα-helixtrans-58.8-41.9175.3-71-177.7-19.800111.6N369 T372 L388 H400 L401 L407 S408N369-Q404 PolarHBondContact OD1-NE2 3.21Å; T372-Q404 HydrophobicContact CG2-CG 4.42Å; T372-Q404 PolarHBondContact OG1-OE1 2.95Å; L388-Q404 HydrophobicContact CD1-CB 4.02Å; H400-Q404 PolarHBondContact NE2-NE2 3.29Å; H400-Q404 VanDerWaalsContact NE2-NE2 3.11Å; H400-Q404 PolarHBondContact O-N 3.43Å; L401-Q404 PolarHBondContact O-N 3.42Å; Q404-L407 PolarHBondContact O-N 3.12Å; Q404-S408 WeakPolarHBondContact O-CB 3.47Å; Q404-S408 PolarHBondContact O-N 3.4Å
405Y94.7Very high89.9Confident27 Ų2747.6 Ų47.611%0.10624%0.241CC..Hα-helixtrans-64.8-46.9178.9-169.9-136.6000111.9T385 L388 C389 V392 L401 W402 L403 L407 S408 F409 A421T385-Y405 VanDerWaalsContact O-CE2 3.3Å; T385-Y405 WeakPolarHBondContact O-CE2 3.31Å; L388-Y405 HydrophobicContact CB-CD2 3.62Å; L388-Y405 HydrophobicContact CB-CE2 4.31Å; L388-Y405 HydrophobicContact CB-CG 4.34Å; C389-Y405 HydrophobicContact CB-CE2 4.19Å; V392-Y405 HydrophobicContact CG2-CD1 4.17Å; V392-Y405 HydrophobicContact CG2-CG 4.22Å; L401-Y405 WeakPolarHBondContact O-CB 3.33Å; L401-Y405 PolarHBondContact O-N 3.34Å; W402-Y405 AromaticContact CE3-CD1 3.94Å; W402-Y405 HydrophobicContact CE3-CD1 3.94Å; W402-Y405 AromaticContact CZ3-CD1 3.85Å; W402-Y405 HydrophobicContact CZ3-CD1 3.85Å; W402-Y405 HydrophobicContact CZ3-CE1 4.13Å; W402-Y405 PolarHBondContact O-N 3.48Å; L403-Y405 VanDerWaalsContact C-N 3.27Å; L403-Y405 PolarHBondContact O-N 3.35Å; Y405-L407 PolarHBondContact O-N 2.81Å; Y405-S408 PolarHBondContact O-N 2.97Å; Y405-S408 PolarHBondContact O-OG 3.4Å; Y405-F409 AromaticContact CD1-CE2 3.96Å; Y405-F409 HydrophobicContact CD1-CE2 3.96Å; Y405-F409 HydrophobicContact CD2-CD2 4.43Å; Y405-F409 AromaticContact CD2-CE2 3.91Å; Y405-F409 HydrophobicContact CD2-CE2 3.91Å; Y405-F409 HydrophobicContact CD2-CZ 4.39Å; Y405-F409 AromaticContact CE1-CE2 3.51Å; Y405-F409 HydrophobicContact CE1-CE2 3.51Å; Y405-F409 HydrophobicContact CE1-CZ 4.11Å; Y405-F409 HydrophobicContact CE2-CD2 4.34Å; Y405-F409 AromaticContact CE2-CE2 3.45Å; Y405-F409 HydrophobicContact CE2-CE2 3.45Å; Y405-F409 VanDerWaalsContact CE2-CE2 3.45Å; Y405-F409 AromaticContact CE2-CZ 3.55Å; Y405-F409 HydrophobicContact CE2-CZ 3.55Å; Y405-F409 HydrophobicContact CG-CE2 4.16Å; Y405-F409 AromaticContact CZ-CE2 3.25Å; Y405-F409 AromaticContact CZ-CZ 3.39Å; Y405-F409 WeakPolarHBondContact O-CD2 3.43Å; Y405-F409 PolarHBondContact O-N 3.4Å; Y405-F409 VanDerWaalsContact OH-CZ 3.29Å; Y405-F409 WeakPolarHBondContact OH-CZ 3.39Å; Y405-A421 HydrophobicContact CD1-CB 4.28Å
406A94.7Very high90.5Very high0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-59.6-45.9176.100000112.1W402 L403 S408 F409 V410 A421 F422W402-A406 WeakPolarHBondContact O-CB 3.47Å; W402-A406 PolarHBondContact O-N 3.04Å; L403-A406 PolarHBondContact O-N 2.84Å; A406-S408 VanDerWaalsContact C-N 3.34Å; A406-S408 PolarHBondContact O-N 2.9Å; A406-F409 PolarHBondContact O-N 3.1Å; A406-V410 PolarHBondContact O-N 3.48Å; A406-A421 HydrophobicContact CB-CB 3.71Å; A406-F422 HydrophobicContact CB-CD1 4.02Å; A406-F422 HydrophobicContact CB-CD2 3.99Å; A406-F422 HydrophobicContact CB-CE1 3.86Å; A406-F422 HydrophobicContact CB-CE2 3.83Å; A406-F422 HydrophobicContact CB-CG 4.05Å; A406-F422 HydrophobicContact CB-CZ 3.74Å
407L94.2Very high91.1Very high66 Ų6647.1 Ų47.135%0.34625%0.25SS..Hα-helixtrans-65.1-37.3177.9-68.3174.4000112.2L403 Q404 Y405 F409 V410 C411 F422 F441L403-L407 HydrophobicContact CD1-CD1 4.09Å; L403-L407 HydrophobicContact CD1-CG 4.2Å; L403-L407 HydrophobicContact CG-CD1 4.1Å; L403-L407 WeakPolarHBondContact O-CB 3.45Å; L403-L407 VanDerWaalsContact O-CG 3.29Å; L403-L407 WeakPolarHBondContact O-CG 3.35Å; L403-L407 PolarHBondContact O-N 3.07Å; Q404-L407 PolarHBondContact O-N 3.12Å; Y405-L407 PolarHBondContact O-N 2.81Å; L407-F409 VanDerWaalsContact C-N 3.29Å; L407-F409 PolarHBondContact O-N 3.16Å; L407-V410 PolarHBondContact O-N 3.34Å; L407-V410 VanDerWaalsContact O-N 3.15Å; L407-C411 PolarHBondContact O-N 2.87Å; L407-C411 PolarHBondContact O-SG 3.47Å; L407-F422 HydrophobicContact CD2-CZ 4.32Å; L407-F441 HydrophobicContact CD2-CD1 4.12Å; L407-F441 HydrophobicContact CD2-CE1 3.64Å; L407-F441 HydrophobicContact CD2-CZ 4.05Å
408S93.8Very high91.5Very high4 Ų439.1 Ų39.13%0.02821%0.213CC..Hα-helixtrans-60.1-39.6176.875.20000112T385 Q404 Y405 A406 C411 D412T385-S408 VanDerWaalsContact CG2-OG 3.3Å; T385-S408 WeakPolarHBondContact CG2-OG 3.19Å; Q404-S408 WeakPolarHBondContact O-CB 3.47Å; Q404-S408 PolarHBondContact O-N 3.4Å; Y405-S408 PolarHBondContact O-N 2.97Å; Y405-S408 PolarHBondContact O-OG 3.4Å; A406-S408 VanDerWaalsContact C-N 3.34Å; A406-S408 PolarHBondContact O-N 2.9Å; S408-C411 PolarHBondContact O-N 3.41Å; S408-D412 WeakPolarHBondContact O-CB 3.44Å; S408-D412 PolarHBondContact O-N 3.31Å
409F93.8Very high91.8Very high4 Ų438.5 Ų38.52%0.01821%0.21CC..Hα-helixtrans-67.6-36.7174.4-76.1-55000113.2T385 Y405 A406 L407 C411 D412 Q413 Q414 M417 A418T385-F409 HydrophobicContact CG2-CD1 3.56Å; T385-F409 HydrophobicContact CG2-CE1 3.71Å; T385-F409 HydrophobicContact CG2-CG 4.19Å; T385-F409 HydrophobicContact CG2-CZ 4.46Å; Y405-F409 AromaticContact CD1-CE2 3.96Å; Y405-F409 HydrophobicContact CD1-CE2 3.96Å; Y405-F409 HydrophobicContact CD2-CD2 4.43Å; Y405-F409 AromaticContact CD2-CE2 3.91Å; Y405-F409 HydrophobicContact CD2-CE2 3.91Å; Y405-F409 HydrophobicContact CD2-CZ 4.39Å; Y405-F409 AromaticContact CE1-CE2 3.51Å; Y405-F409 HydrophobicContact CE1-CE2 3.51Å; Y405-F409 HydrophobicContact CE1-CZ 4.11Å; Y405-F409 HydrophobicContact CE2-CD2 4.34Å; Y405-F409 AromaticContact CE2-CE2 3.45Å; Y405-F409 HydrophobicContact CE2-CE2 3.45Å; Y405-F409 VanDerWaalsContact CE2-CE2 3.45Å; Y405-F409 AromaticContact CE2-CZ 3.55Å; Y405-F409 HydrophobicContact CE2-CZ 3.55Å; Y405-F409 HydrophobicContact CG-CE2 4.16Å; Y405-F409 AromaticContact CZ-CE2 3.25Å; Y405-F409 AromaticContact CZ-CZ 3.39Å; Y405-F409 WeakPolarHBondContact O-CD2 3.43Å; Y405-F409 PolarHBondContact O-N 3.4Å; Y405-F409 VanDerWaalsContact OH-CZ 3.29Å; Y405-F409 WeakPolarHBondContact OH-CZ 3.39Å; A406-F409 PolarHBondContact O-N 3.1Å; L407-F409 VanDerWaalsContact C-N 3.29Å; L407-F409 PolarHBondContact O-N 3.16Å; F409-C411 VanDerWaalsContact C-N 3.33Å; F409-D412 CarbonylContact O-C 3.57Å; F409-D412 PolarHBondContact O-N 3.29Å; F409-Q413 PolarHBondContact O-N 3.35Å; F409-Q414 HydrophobicContact CB-CB 4.31Å; F409-Q414 HydrophobicContact CD1-CB 3.87Å; F409-Q414 HydrophobicContact CD1-CG 4.42Å; F409-Q414 HydrophobicContact CG-CB 4.49Å; F409-Q414 PolarHBondContact O-N 2.94Å; F409-M417 HydrophobicContact CB-CB 4.37Å; F409-M417 HydrophobicContact CD1-CB 3.65Å; F409-M417 HydrophobicContact CD1-CG 4.42Å; F409-M417 HydrophobicContact CD2-CB 3.8Å; F409-M417 HydrophobicContact CE1-CB 3.7Å; F409-M417 HydrophobicContact CE1-CE 4.4Å; F409-M417 HydrophobicContact CE1-CG 4.16Å; F409-M417 HydrophobicContact CE2-CB 3.82Å; F409-M417 HydrophobicContact CG-CB 3.7Å; F409-M417 HydrophobicContact CZ-CB 3.77Å; F409-M417 HydrophobicContact CZ-CE 3.89Å; F409-M417 HydrophobicContact CZ-CG 4.36Å; F409-A418 HydrophobicContact CB-CB 3.71Å
410V90.7Very high92Very high35 Ų3538.2 Ų38.221%0.21221%0.21CC..Hα-helixtrans-64.4-42174.7179.10000110.6A406 L407 D412 Q413 A418 F422 F441 L445A406-V410 PolarHBondContact O-N 3.48Å; L407-V410 PolarHBondContact O-N 3.34Å; L407-V410 VanDerWaalsContact O-N 3.15Å; V410-D412 VanDerWaalsContact C-N 3.29Å; V410-D412 PolarHBondContact O-N 3.07Å; V410-Q413 PolarHBondContact O-N 3.45Å; V410-Q413 VanDerWaalsContact O-N 3.12Å; V410-A418 HydrophobicContact CG2-CB 3.46Å; V410-A418 VanDerWaalsContact CG2-CB 3.46Å; V410-F422 HydrophobicContact CG2-CE2 4.26Å; V410-F441 HydrophobicContact CB-CE1 4.47Å; V410-F441 HydrophobicContact CB-CZ 4.41Å; V410-F441 HydrophobicContact CG1-CE1 4.36Å; V410-F441 HydrophobicContact CG1-CZ 3.91Å; V410-F441 HydrophobicContact CG2-CE1 3.96Å; V410-F441 HydrophobicContact CG2-CZ 4.35Å; V410-L445 HydrophobicContact CG2-CD1 4.4Å; V410-L445 HydrophobicContact CG2-CD2 4.3Å
411C90.2Very high92.2Very high67 Ų6735 Ų3545%0.45320%0.195SC..Hα-helixtrans-65.1-32.5174.6-65.60000112.9F381 L407 S408 F409 Q413F381-C411 HydrophobicContact CB-CB 4.35Å; F381-C411 HydrophobicContact CD1-CB 3.38Å; F381-C411 HydrophobicContact CD2-CB 3.82Å; F381-C411 HydrophobicContact CE1-CB 3.45Å; F381-C411 VanDerWaalsContact CE1-CB 3.45Å; F381-C411 HydrophobicContact CE2-CB 3.88Å; F381-C411 HydrophobicContact CG-CB 3.58Å; F381-C411 HydrophobicContact CZ-CB 3.71Å; L407-C411 PolarHBondContact O-N 2.87Å; L407-C411 PolarHBondContact O-SG 3.47Å; S408-C411 PolarHBondContact O-N 3.41Å; F409-C411 VanDerWaalsContact C-N 3.33Å; C411-Q413 VanDerWaalsContact C-N 3.25Å; C411-Q413 PolarHBondContact O-N 2.92Å
412D89Confident92.4Very high42 Ų4234.8 Ų34.823%0.22519%0.194CC..THydrogen-bonded Turntrans-82.54.6174.1-155.950.4000113.6F381 R382 S408 F409 V410 Q414F381-D412 HydrophobicContact CB-CB 3.82Å; R382-D412 PolarHBondContact N-OD1 2.91Å; S408-D412 WeakPolarHBondContact O-CB 3.44Å; S408-D412 PolarHBondContact O-N 3.31Å; F409-D412 CarbonylContact O-C 3.57Å; F409-D412 PolarHBondContact O-N 3.29Å; V410-D412 VanDerWaalsContact C-N 3.29Å; V410-D412 PolarHBondContact O-N 3.07Å; D412-Q414 HydrophobicContact CB-CG 4.39Å; D412-Q414 PolarHBondContact O-N 3.18Å; D412-Q414 PolarHBondContact OD2-NE2 2.96Å
413Q84.6Confident92.4Very high117 Ų11741 Ų4155%0.54722%0.217SC..THydrogen-bonded Turntrans58.922.3-177.8-52.7-176.2-7.200114.5F409 V410 C411 D415F409-Q413 PolarHBondContact O-N 3.35Å; V410-Q413 PolarHBondContact O-N 3.45Å; V410-Q413 VanDerWaalsContact O-N 3.12Å; C411-Q413 VanDerWaalsContact C-N 3.25Å; C411-Q413 PolarHBondContact O-N 2.92Å; Q413-D415 VanDerWaalsContact C-N 3.32Å; Q413-D415 PolarHBondContact O-N 2.91Å
414Q89.5Confident92.3Very high60 Ų6041.7 Ų41.728%0.2822%0.223SC..  trans-91.465.8173.8-62.1-167.330.800110.5F409 D412 G416 M417 A418F409-Q414 HydrophobicContact CB-CB 4.31Å; F409-Q414 HydrophobicContact CD1-CB 3.87Å; F409-Q414 HydrophobicContact CD1-CG 4.42Å; F409-Q414 HydrophobicContact CG-CB 4.49Å; F409-Q414 PolarHBondContact O-N 2.94Å; D412-Q414 HydrophobicContact CB-CG 4.39Å; D412-Q414 PolarHBondContact O-N 3.18Å; D412-Q414 PolarHBondContact OD2-NE2 2.96Å; Q414-G416 PolarHBondContact O-N 3.46Å; Q414-G416 VanDerWaalsContact O-N 3.12Å; Q414-M417 HydrophobicContact CB-CB 4.2Å; Q414-M417 HydrophobicContact CB-CG 4.36Å; Q414-M417 PolarHBondContact O-N 3.48Å; Q414-A418 PolarHBondContact O-N 3.32Å
415D88.5Confident92.4Very high32 Ų3240.4 Ų40.417%0.17122%0.217CC..Hα-helixtrans-54.7-37.7-172.3-66-33.6000112.5Q413 A418 A419 L445 K449 F450Q413-D415 VanDerWaalsContact C-N 3.32Å; Q413-D415 PolarHBondContact O-N 2.91Å; D415-A418 PolarHBondContact O-N 3.22Å; D415-A419 WeakPolarHBondContact O-CB 3.47Å; D415-A419 PolarHBondContact O-N 3.15Å; D415-L445 HydrophobicContact CB-CD1 4.48Å; D415-K449 HydrophobicContact CB-CB 4.34Å; D415-K449 HydrophobicContact CB-CG 4.35Å; D415-K449 WeakPolarHBondContact OD2-CD 3.16Å; D415-K449 VanDerWaalsContact OD2-CE 3.23Å; D415-K449 WeakPolarHBondContact OD2-CE 3.44Å; D415-K449 WeakPolarHBondContact OD2-CG 3.39Å; D415-K449 IonicContact OD2-NZ 3.93Å; D415-K449 PolarHBondContact OD2-NZ 2.96Å; D415-F450 VanDerWaalsContact C-CZ 3.49Å; D415-F450 HydrophobicContact CB-CE2 4.15Å; D415-F450 HydrophobicContact CB-CZ 3.86Å; D415-F450 WeakPolarHBondContact O-CZ 3.37Å
416G91.8Very high92.3Very high46 Ų4640.5 Ų40.547%0.47422%0.218SC..Hα-helixtrans-64.8-41.3179.600000113.3Q414 S420Q414-G416 PolarHBondContact O-N 3.46Å; Q414-G416 VanDerWaalsContact O-N 3.12Å; G416-S420 PolarHBondContact O-N 2.99Å; G416-S420 VanDerWaalsContact O-N 3.16Å
417M94Very high92.1Very high86 Ų8644.9 Ų44.942%0.42425%0.249SC..Hα-helixtrans-71.3-41.3176.8-64-63.1-74.900110.4F409 Q414 A419 S420 A421F409-M417 HydrophobicContact CB-CB 4.37Å; F409-M417 HydrophobicContact CD1-CB 3.65Å; F409-M417 HydrophobicContact CD1-CG 4.42Å; F409-M417 HydrophobicContact CD2-CB 3.8Å; F409-M417 HydrophobicContact CE1-CB 3.7Å; F409-M417 HydrophobicContact CE1-CE 4.4Å; F409-M417 HydrophobicContact CE1-CG 4.16Å; F409-M417 HydrophobicContact CE2-CB 3.82Å; F409-M417 HydrophobicContact CG-CB 3.7Å; F409-M417 HydrophobicContact CZ-CB 3.77Å; F409-M417 HydrophobicContact CZ-CE 3.89Å; F409-M417 HydrophobicContact CZ-CG 4.36Å; Q414-M417 HydrophobicContact CB-CB 4.2Å; Q414-M417 HydrophobicContact CB-CG 4.36Å; Q414-M417 PolarHBondContact O-N 3.48Å; M417-A419 PolarHBondContact O-N 3.08Å; M417-S420 PolarHBondContact O-N 2.63Å; M417-S420 VanDerWaalsContact O-N 3.14Å; M417-S420 PolarHBondContact O-OG 2.94Å; M417-A421 PolarHBondContact O-N 3.35Å
418A93.6Very high92Very high0 Ų044.5 Ų44.50%025%0.247CC..Hα-helixtrans-56.3-48.7173.700000111.9F409 V410 Q414 D415 S420 A421 F422 L445F409-A418 HydrophobicContact CB-CB 3.71Å; V410-A418 HydrophobicContact CG2-CB 3.46Å; V410-A418 VanDerWaalsContact CG2-CB 3.46Å; Q414-A418 PolarHBondContact O-N 3.32Å; D415-A418 PolarHBondContact O-N 3.22Å; A418-S420 VanDerWaalsContact C-N 3.27Å; A418-S420 PolarHBondContact O-N 3.39Å; A418-A421 PolarHBondContact O-N 3.44Å; A418-F422 WeakPolarHBondContact O-CD2 3.49Å; A418-F422 PolarHBondContact O-N 3.25Å; A418-L445 HydrophobicContact CB-CD2 4.04Å
419A93.6Very high91.7Very high7 Ų745.9 Ų45.96%0.05825%0.254CS..Hα-helixtrans-57.3-41.4176.800000111.8D415 M417 R423 Y446 F450D415-A419 WeakPolarHBondContact O-CB 3.47Å; D415-A419 PolarHBondContact O-N 3.15Å; M417-A419 PolarHBondContact O-N 3.08Å; A419-R423 WeakPolarHBondContact O-CG 3.46Å; A419-R423 PolarHBondContact O-N 3.33Å; A419-Y446 HydrophobicContact CB-CE1 4.07Å; A419-Y446 HydrophobicContact CB-CE2 4.42Å; A419-Y446 PolarHBondContact O-OH 3.3Å; A419-F450 HydrophobicContact CB-CE2 3.83Å; A419-F450 HydrophobicContact CB-CZ 4.02Å
420S93.6Very high91.3Very high40 Ų4050 Ų5028%0.2828%0.281SS..Hα-helixtrans-65.1-42.717779.80000112.8G416 M417 A418 R423 V424G416-S420 PolarHBondContact O-N 2.99Å; G416-S420 VanDerWaalsContact O-N 3.16Å; M417-S420 PolarHBondContact O-N 2.63Å; M417-S420 VanDerWaalsContact O-N 3.14Å; M417-S420 PolarHBondContact O-OG 2.94Å; A418-S420 VanDerWaalsContact C-N 3.27Å; A418-S420 PolarHBondContact O-N 3.39Å; S420-R423 PolarHBondContact O-N 3.45Å; S420-V424 PolarHBondContact O-N 3.35Å
421A94.1Very high90.5Very high1 Ų157.6 Ų57.61%0.00831%0.314CS..Hα-helixtrans-65.9-40.9178.200000111.8W402 Y405 A406 M417 A418 R423 V424 L425W402-A421 HydrophobicContact CE3-CB 4.19Å; W402-A421 HydrophobicContact CZ3-CB 4.34Å; Y405-A421 HydrophobicContact CD1-CB 4.28Å; A406-A421 HydrophobicContact CB-CB 3.71Å; M417-A421 PolarHBondContact O-N 3.35Å; A418-A421 PolarHBondContact O-N 3.44Å; A421-R423 VanDerWaalsContact C-N 3.32Å; A421-R423 PolarHBondContact O-N 2.62Å; A421-V424 PolarHBondContact O-N 3.1Å; A421-L425 PolarHBondContact O-N 3.21Å
422F95Very high89.6Confident0 Ų061.5 Ų61.50%033%0.33CS..Hα-helixtrans-60.1-39.1173.8-82-60.9000112.8L403 A406 L407 V410 A418 V424 L425 F426 F441 A442 L445L403-F422 HydrophobicContact CD1-CE1 4.15Å; A406-F422 HydrophobicContact CB-CD1 4.02Å; A406-F422 HydrophobicContact CB-CD2 3.99Å; A406-F422 HydrophobicContact CB-CE1 3.86Å; A406-F422 HydrophobicContact CB-CE2 3.83Å; A406-F422 HydrophobicContact CB-CG 4.05Å; A406-F422 HydrophobicContact CB-CZ 3.74Å; L407-F422 HydrophobicContact CD2-CZ 4.32Å; V410-F422 HydrophobicContact CG2-CE2 4.26Å; A418-F422 WeakPolarHBondContact O-CD2 3.49Å; A418-F422 PolarHBondContact O-N 3.25Å; F422-V424 VanDerWaalsContact C-N 3.31Å; F422-V424 PolarHBondContact O-N 3.36Å; F422-L425 HydrophobicContact CD1-CD2 4.02Å; F422-L425 HydrophobicContact CE1-CD2 4.34Å; F422-L425 WeakPolarHBondContact O-CB 3.34Å; F422-L425 PolarHBondContact O-N 2.97Å; F422-F426 HydrophobicContact CB-CD2 4.42Å; F422-F426 HydrophobicContact CB-CE2 3.92Å; F422-F426 HydrophobicContact CD1-CE2 4.25Å; F422-F426 HydrophobicContact CD1-CZ 4.01Å; F422-F426 HydrophobicContact CG-CE2 4.44Å; F422-F426 WeakPolarHBondContact O-CD2 3.48Å; F422-F426 VanDerWaalsContact O-CG 3.3Å; F422-F426 WeakPolarHBondContact O-CG 3.46Å; F422-F426 PolarHBondContact O-N 3.15Å; F422-F441 HydrophobicContact CE1-CD1 4.39Å; F422-F441 HydrophobicContact CE2-CD1 4.01Å; F422-F441 HydrophobicContact CE2-CE1 4.05Å; F422-F441 AromaticContact CZ-CD1 3.54Å; F422-F441 HydrophobicContact CZ-CD1 3.54Å; F422-F441 AromaticContact CZ-CE1 3.8Å; F422-F441 HydrophobicContact CZ-CE1 3.8Å; F422-A442 HydrophobicContact CB-CB 4.34Å; F422-A442 HydrophobicContact CD1-CB 4.13Å; F422-A442 HydrophobicContact CD2-CB 4.31Å; F422-A442 HydrophobicContact CG-CB 4.01Å; F422-L445 HydrophobicContact CD2-CD2 4.09Å; F422-L445 HydrophobicContact CE2-CD2 4.15Å
423R93Very high89Confident162 Ų16260.2 Ų60.261%0.61133%0.325SS*.Hα-helixtrans-61.9-41.2176-67.8-179.5-49.41716111.9A419 S420 A421 S427 Y446A419-R423 WeakPolarHBondContact O-CG 3.46Å; A419-R423 PolarHBondContact O-N 3.33Å; S420-R423 PolarHBondContact O-N 3.45Å; A421-R423 VanDerWaalsContact C-N 3.32Å; A421-R423 PolarHBondContact O-N 2.62Å; R423-S427 PolarHBondContact O-N 3.18Å; R423-S427 VanDerWaalsContact O-N 3.12Å; R423-Y446 WeakPolarHBondContact CG-OH 3.45Å
424V93.3Very high88.6Confident50 Ų5060.6 Ų60.630%0.30334%0.337SS..Hα-helixtrans-66.7-46.9177-177.20000110W402 S420 A421 F422 F426 S427 L428W402-V424 HydrophobicContact CD2-CB 4.22Å; W402-V424 HydrophobicContact CD2-CG1 3.89Å; W402-V424 HydrophobicContact CE3-CB 4.08Å; W402-V424 HydrophobicContact CE3-CG1 4.19Å; W402-V424 HydrophobicContact CH2-CB 4.13Å; W402-V424 HydrophobicContact CH2-CG1 3.85Å; W402-V424 HydrophobicContact CH2-CG2 4.19Å; W402-V424 HydrophobicContact CZ2-CB 4.25Å; W402-V424 HydrophobicContact CZ2-CG1 3.49Å; W402-V424 VanDerWaalsContact CZ2-CG1 3.49Å; W402-V424 HydrophobicContact CZ3-CB 4.04Å; W402-V424 HydrophobicContact CZ3-CG1 4.18Å; W402-V424 HydrophobicContact CZ3-CG2 4.26Å; S420-V424 PolarHBondContact O-N 3.35Å; A421-V424 PolarHBondContact O-N 3.1Å; F422-V424 VanDerWaalsContact C-N 3.31Å; F422-V424 PolarHBondContact O-N 3.36Å; V424-F426 VanDerWaalsContact C-N 3.34Å; V424-F426 PolarHBondContact O-N 2.8Å; V424-S427 WeakPolarHBondContact O-CB 3.02Å; V424-S427 PolarHBondContact O-N 3.33Å; V424-S427 PolarHBondContact O-OG 3.26Å; V424-L428 HydrophobicContact CG1-CD1 4.25Å; V424-L428 WeakPolarHBondContact O-CG 3.3Å; V424-L428 PolarHBondContact O-N 3.44Å
425L94Very high88.3Confident3 Ų358 Ų582%0.01633%0.326CS..Hα-helixtrans-49.8-52.8174.2171.765.9000111.9P399 W402 L403 A421 F422 S427 L428 L429P399-L425 HydrophobicContact CB-CD1 3.68Å; P399-L425 WeakPolarHBondContact O-CD1 3.32Å; W402-L425 HydrophobicContact CB-CB 4.1Å; W402-L425 HydrophobicContact CB-CD1 4.18Å; L403-L425 HydrophobicContact CB-CD1 4.47Å; L403-L425 HydrophobicContact CB-CD2 4.16Å; L403-L425 HydrophobicContact CD1-CD2 3.99Å; A421-L425 PolarHBondContact O-N 3.21Å; F422-L425 HydrophobicContact CD1-CD2 4.02Å; F422-L425 HydrophobicContact CE1-CD2 4.34Å; F422-L425 WeakPolarHBondContact O-CB 3.34Å; F422-L425 PolarHBondContact O-N 2.97Å; L425-S427 VanDerWaalsContact C-N 3.25Å; L425-S427 PolarHBondContact O-N 3.49Å; L425-L428 PolarHBondContact O-N 3.33Å; L425-L429 HydrophobicContact CD1-CD1 4.14Å; L425-L429 HydrophobicContact CD1-CG 4.32Å; L425-L429 HydrophobicContact CG-CD1 4.07Å; L425-L429 WeakPolarHBondContact O-CG 3.37Å; L425-L429 PolarHBondContact O-N 3.43Å
426F92.7Very high88.4Confident28 Ų2856.9 Ų56.912%0.12332%0.321CS..Hα-helixtrans-68.2-24-178.1-59.9-44.2000113.4F422 V424 L428 L429 D438 Y439 A442 L459F422-F426 HydrophobicContact CB-CD2 4.42Å; F422-F426 HydrophobicContact CB-CE2 3.92Å; F422-F426 HydrophobicContact CD1-CE2 4.25Å; F422-F426 HydrophobicContact CD1-CZ 4.01Å; F422-F426 HydrophobicContact CG-CE2 4.44Å; F422-F426 WeakPolarHBondContact O-CD2 3.48Å; F422-F426 VanDerWaalsContact O-CG 3.3Å; F422-F426 WeakPolarHBondContact O-CG 3.46Å; F422-F426 PolarHBondContact O-N 3.15Å; V424-F426 VanDerWaalsContact C-N 3.34Å; V424-F426 PolarHBondContact O-N 2.8Å; F426-L428 VanDerWaalsContact C-N 3.28Å; F426-L429 HydrophobicContact CD1-CD1 3.99Å; F426-D438 HydrophobicContact CE1-CB 4.15Å; F426-Y439 HydrophobicContact CB-CE1 4.17Å; F426-Y439 AromaticContact CD1-CD1 3.68Å; F426-Y439 HydrophobicContact CD1-CD1 3.68Å; F426-Y439 AromaticContact CD1-CE1 3.18Å; F426-Y439 HydrophobicContact CD1-CE1 3.18Å; F426-Y439 HydrophobicContact CD1-CG 4.5Å; F426-Y439 AromaticContact CD1-CZ 3.67Å; F426-Y439 HydrophobicContact CD2-CD1 4.36Å; F426-Y439 HydrophobicContact CD2-CE1 4.15Å; F426-Y439 AromaticContact CE1-CD1 3.45Å; F426-Y439 HydrophobicContact CE1-CD1 3.45Å; F426-Y439 VanDerWaalsContact CE1-CD1 3.45Å; F426-Y439 AromaticContact CE1-CE1 3.49Å; F426-Y439 HydrophobicContact CE1-CE1 3.49Å; F426-Y439 VanDerWaalsContact CE1-CE1 3.49Å; F426-Y439 AromaticContact CE1-CG 4Å; F426-Y439 HydrophobicContact CE1-CG 4Å; F426-Y439 HydrophobicContact CE2-CD1 4.15Å; F426-Y439 HydrophobicContact CE2-CE1 4.37Å; F426-Y439 HydrophobicContact CG-CD1 4.17Å; F426-Y439 AromaticContact CG-CE1 3.58Å; F426-Y439 HydrophobicContact CG-CE1 3.58Å; F426-Y439 AromaticContact CZ-CD1 3.71Å; F426-Y439 HydrophobicContact CZ-CD1 3.71Å; F426-Y439 HydrophobicContact CZ-CE1 4.09Å; F426-Y439 HydrophobicContact CZ-CG 4.36Å; F426-A442 HydrophobicContact CE2-CB 3.56Å; F426-A442 HydrophobicContact CZ-CB 3.64Å; F426-L459 HydrophobicContact CD2-CD2 3.84Å; F426-L459 HydrophobicContact CE2-CD2 3.75Å
427S91.6Very high88.4Confident92 Ų9258.3 Ų58.364%0.64332%0.324SS*.Hα-helixtrans-72.5-21.3172.874.50000113.6R423 V424 L425R423-S427 PolarHBondContact O-N 3.18Å; R423-S427 VanDerWaalsContact O-N 3.12Å; V424-S427 WeakPolarHBondContact O-CB 3.02Å; V424-S427 PolarHBondContact O-N 3.33Å; V424-S427 PolarHBondContact O-OG 3.26Å; L425-S427 VanDerWaalsContact C-N 3.25Å; L425-S427 PolarHBondContact O-N 3.49Å
428L90.8Very high88.3Confident59 Ų5955.8 Ų55.831%0.30931%0.312SS..Hα-helixtrans-91.9-19.3179.5-62.5171.5000112.9Q396 W402 V424 L425 F426Q396-L428 VanDerWaalsContact O-CD1 3.3Å; Q396-L428 WeakPolarHBondContact O-CD1 3.46Å; W402-L428 HydrophobicContact CG-CD1 4.18Å; V424-L428 HydrophobicContact CG1-CD1 4.25Å; V424-L428 WeakPolarHBondContact O-CG 3.3Å; V424-L428 PolarHBondContact O-N 3.44Å; L425-L428 PolarHBondContact O-N 3.33Å; F426-L428 VanDerWaalsContact C-N 3.28Å
429L89.2Confident88.3Confident33 Ų3356.7 Ų56.717%0.17332%0.316CS..SBendtrans-80.7133.8-176-73.6172.3000111.5P399 L425 F426P399-L429 HydrophobicContact CB-CD2 3.9Å; P399-L429 HydrophobicContact CB-CG 4.48Å; P399-L429 HydrophobicContact CG-CD2 4.41Å; L425-L429 HydrophobicContact CD1-CD1 4.14Å; L425-L429 HydrophobicContact CD1-CG 4.32Å; L425-L429 HydrophobicContact CG-CD1 4.07Å; L425-L429 WeakPolarHBondContact O-CG 3.37Å; L425-L429 PolarHBondContact O-N 3.43Å; F426-L429 HydrophobicContact CD1-CD1 3.99Å
430P84.3Confident88.3Confident91 Ų9157.5 Ų57.559%0.59132%0.319SS*.  trans-60.6151.4171.3-21.631.8000112.2N432 S433P430-N432 PolarHBondContact O-N 3.2Å; P430-S433 PolarHBondContact O-N 2.85Å; P430-S433 PolarHBondContact O-OG 3.19Å
431E74.9Confident88.3Confident194 Ų19459.1 Ų59.191%0.90732%0.321SS*.THydrogen-bonded Turntrans-58-7.4-174.7-67.2-171.1156.600115.8
432N71.3Confident88.3Confident148 Ų14859.1 Ų59.179%0.79132%0.321SS*.THydrogen-bonded Turntrans-132.428.1178.2-68.2-52.8000113.7P430P430-N432 PolarHBondContact O-N 3.2Å
433S76.5Confident88.2Confident16 Ų1659.1 Ų59.111%0.11232%0.321CS..  trans-68.1141.3175.458.80000111.8P430 S435P430-S433 PolarHBondContact O-N 2.85Å; P430-S433 PolarHBondContact O-OG 3.19Å; S433-S435 PolarHBondContact O-N 3.05Å; S433-S435 PolarHBondContact O-OG 3.42Å; S433-S435 PolarHBondContact OG-OG 3.03Å
434P76.4Confident88.2Confident125 Ų12555.4 Ų55.481%0.81231%0.307SS*.SBendtrans-75.862.6175.433.4-36.2000111.3
435S82.7Confident88.1Confident5 Ų553.5 Ų53.54%0.03530%0.295CS..  trans-11326.9-177.655.90000112.1S433 S437 D438 Y439S433-S435 PolarHBondContact O-N 3.05Å; S433-S435 PolarHBondContact O-OG 3.42Å; S433-S435 PolarHBondContact OG-OG 3.03Å; S435-S437 PolarHBondContact O-N 3.47Å; S435-D438 WeakPolarHBondContact CB-OD2 3.44Å; S435-D438 WeakPolarHBondContact O-CB 3.41Å; S435-D438 PolarHBondContact O-N 3.06Å; S435-Y439 VanDerWaalsContact O-CD2 3.23Å; S435-Y439 WeakPolarHBondContact O-CD2 3.48Å; S435-Y439 PolarHBondContact O-N 3.22Å; S435-Y439 VanDerWaalsContact O-N 3.08Å; S435-Y439 WeakPolarHBondContact OG-CE2 3.27Å
436A89Confident88Confident9 Ų954.8 Ų54.87%0.07430%0.3CS..Hα-helixtrans-59-34.5-176.200000113D438 L440 S466 V472A436-D438 VanDerWaalsContact C-N 3.31Å; A436-D438 PolarHBondContact O-N 3.28Å; A436-L440 WeakPolarHBondContact O-CB 3.48Å; A436-L440 WeakPolarHBondContact O-CG 3.39Å; A436-L440 PolarHBondContact O-N 3.49Å; A436-S466 WeakPolarHBondContact CA-OG 3.44Å; A436-S466 WeakPolarHBondContact CB-OG 3.41Å; A436-V472 HydrophobicContact CB-CG1 3.79Å
437S91.8Very high87.9Confident76 Ų7653.5 Ų53.553%0.53129%0.294SS..Hα-helixtrans-60.4-41.1173.349.20000112.3S435 L440 F441S435-S437 PolarHBondContact O-N 3.47Å; S437-L440 PolarHBondContact O-N 3.25Å; S437-F441 WeakPolarHBondContact O-CB 3.23Å; S437-F441 PolarHBondContact O-N 3.27Å
438D92.1Very high87.6Confident33 Ų3351.1 Ų51.118%0.17627%0.273CS..Hα-helixtrans-73-41.7-174.8-48.4-27.8000109.6L403 F426 S435 A436 F441 A442L403-D438 HydrophobicContact CD1-CB 4.45Å; F426-D438 HydrophobicContact CE1-CB 4.15Å; S435-D438 WeakPolarHBondContact CB-OD2 3.44Å; S435-D438 WeakPolarHBondContact O-CB 3.41Å; S435-D438 PolarHBondContact O-N 3.06Å; A436-D438 VanDerWaalsContact C-N 3.31Å; A436-D438 PolarHBondContact O-N 3.28Å; D438-F441 PolarHBondContact O-N 3.12Å; D438-A442 WeakPolarHBondContact O-CB 3.41Å; D438-A442 PolarHBondContact O-N 3.46Å
439Y93.9Very high87.4Confident19 Ų1954.1 Ų54.18%0.07528%0.283CS..Hα-helixtrans-60.2-44.8171.5-73.9-61.1000112.2F426 S435 A442 A443 L459 Q462F426-Y439 HydrophobicContact CB-CE1 4.17Å; F426-Y439 AromaticContact CD1-CD1 3.68Å; F426-Y439 HydrophobicContact CD1-CD1 3.68Å; F426-Y439 AromaticContact CD1-CE1 3.18Å; F426-Y439 HydrophobicContact CD1-CE1 3.18Å; F426-Y439 HydrophobicContact CD1-CG 4.5Å; F426-Y439 AromaticContact CD1-CZ 3.67Å; F426-Y439 HydrophobicContact CD2-CD1 4.36Å; F426-Y439 HydrophobicContact CD2-CE1 4.15Å; F426-Y439 AromaticContact CE1-CD1 3.45Å; F426-Y439 HydrophobicContact CE1-CD1 3.45Å; F426-Y439 VanDerWaalsContact CE1-CD1 3.45Å; F426-Y439 AromaticContact CE1-CE1 3.49Å; F426-Y439 HydrophobicContact CE1-CE1 3.49Å; F426-Y439 VanDerWaalsContact CE1-CE1 3.49Å; F426-Y439 AromaticContact CE1-CG 4Å; F426-Y439 HydrophobicContact CE1-CG 4Å; F426-Y439 HydrophobicContact CE2-CD1 4.15Å; F426-Y439 HydrophobicContact CE2-CE1 4.37Å; F426-Y439 HydrophobicContact CG-CD1 4.17Å; F426-Y439 AromaticContact CG-CE1 3.58Å; F426-Y439 HydrophobicContact CG-CE1 3.58Å; F426-Y439 AromaticContact CZ-CD1 3.71Å; F426-Y439 HydrophobicContact CZ-CD1 3.71Å; F426-Y439 HydrophobicContact CZ-CE1 4.09Å; F426-Y439 HydrophobicContact CZ-CG 4.36Å; S435-Y439 VanDerWaalsContact O-CD2 3.23Å; S435-Y439 WeakPolarHBondContact O-CD2 3.48Å; S435-Y439 PolarHBondContact O-N 3.22Å; S435-Y439 VanDerWaalsContact O-N 3.08Å; S435-Y439 WeakPolarHBondContact OG-CE2 3.27Å; Y439-A442 PolarHBondContact O-N 3.45Å; Y439-A443 VanDerWaalsContact O-CB 3.23Å; Y439-A443 WeakPolarHBondContact O-CB 3.44Å; Y439-A443 PolarHBondContact O-N 3.12Å; Y439-L459 HydrophobicContact CD1-CD2 3.94Å; Y439-L459 HydrophobicContact CE1-CD2 4.37Å; Y439-Q462 HydrophobicContact CD1-CB 3.97Å; Y439-Q462 HydrophobicContact CD2-CB 4.34Å; Y439-Q462 HydrophobicContact CE1-CB 4.07Å; Y439-Q462 HydrophobicContact CE2-CB 4.41Å; Y439-Q462 HydrophobicContact CG-CB 4.14Å
440L93.6Very high87.3Confident24 Ų2456.6 Ų56.613%0.12629%0.293CS..Hα-helixtrans-61.6-44.9176.2-78179.9000112.1A436 S437 A443 R444 A463 V472 R475 S476 L479A436-L440 WeakPolarHBondContact O-CB 3.48Å; A436-L440 WeakPolarHBondContact O-CG 3.39Å; A436-L440 PolarHBondContact O-N 3.49Å; S437-L440 PolarHBondContact O-N 3.25Å; L440-A443 PolarHBondContact O-N 3.31Å; L440-R444 WeakPolarHBondContact O-CB 3.26Å; L440-R444 PolarHBondContact O-N 3.41Å; L440-A463 HydrophobicContact CD2-CB 3.83Å; L440-A463 HydrophobicContact CG-CB 3.76Å; L440-V472 HydrophobicContact CD1-CG1 3.83Å; L440-R475 HydrophobicContact CD1-CB 4.34Å; L440-S476 WeakPolarHBondContact CD2-OG 3.47Å; L440-L479 HydrophobicContact CD2-CD1 3.7Å
441F93.4Very high87.3Confident74 Ų7457.3 Ų57.333%0.32529%0.288SS..Hα-helixtrans-64.8-44.4-179.8-174.6-98.7000111.6L407 V410 F422 S437 D438 R444 L445L407-F441 HydrophobicContact CD2-CD1 4.12Å; L407-F441 HydrophobicContact CD2-CE1 3.64Å; L407-F441 HydrophobicContact CD2-CZ 4.05Å; V410-F441 HydrophobicContact CB-CE1 4.47Å; V410-F441 HydrophobicContact CB-CZ 4.41Å; V410-F441 HydrophobicContact CG1-CE1 4.36Å; V410-F441 HydrophobicContact CG1-CZ 3.91Å; V410-F441 HydrophobicContact CG2-CE1 3.96Å; V410-F441 HydrophobicContact CG2-CZ 4.35Å; F422-F441 HydrophobicContact CE1-CD1 4.39Å; F422-F441 HydrophobicContact CE2-CD1 4.01Å; F422-F441 HydrophobicContact CE2-CE1 4.05Å; F422-F441 AromaticContact CZ-CD1 3.54Å; F422-F441 HydrophobicContact CZ-CD1 3.54Å; F422-F441 AromaticContact CZ-CE1 3.8Å; F422-F441 HydrophobicContact CZ-CE1 3.8Å; S437-F441 WeakPolarHBondContact O-CB 3.23Å; S437-F441 PolarHBondContact O-N 3.27Å; D438-F441 PolarHBondContact O-N 3.12Å; F441-R444 PolarHBondContact O-N 3.44Å; F441-L445 PolarHBondContact O-N 2.78Å
442A93.8Very high88Confident0 Ų049.5 Ų49.50%026%0.257CS..Hα-helixtrans-64.5-44.1174.800000111.9F422 F426 D438 Y439 R444 L445 Y446 L459F422-A442 HydrophobicContact CB-CB 4.34Å; F422-A442 HydrophobicContact CD1-CB 4.13Å; F422-A442 HydrophobicContact CD2-CB 4.31Å; F422-A442 HydrophobicContact CG-CB 4.01Å; F426-A442 HydrophobicContact CE2-CB 3.56Å; F426-A442 HydrophobicContact CZ-CB 3.64Å; D438-A442 WeakPolarHBondContact O-CB 3.41Å; D438-A442 PolarHBondContact O-N 3.46Å; Y439-A442 PolarHBondContact O-N 3.45Å; A442-R444 VanDerWaalsContact C-N 3.28Å; A442-R444 PolarHBondContact O-N 3.15Å; A442-L445 WeakPolarHBondContact O-CB 3.2Å; A442-L445 PolarHBondContact O-N 3.07Å; A442-L445 VanDerWaalsContact O-N 3.1Å; A442-Y446 VanDerWaalsContact O-CD2 3.24Å; A442-Y446 WeakPolarHBondContact O-CD2 3.33Å; A442-Y446 PolarHBondContact O-N 3.03Å; A442-L459 HydrophobicContact CB-CD1 4.09Å
443A94.5Very high88.9Confident1 Ų142.8 Ų42.81%0.00822%0.222CC..Hα-helixtrans-56.3-44.4176.300000111.6Y439 L440 Y446 L447 A456 L459 A460 L479Y439-A443 VanDerWaalsContact O-CB 3.23Å; Y439-A443 WeakPolarHBondContact O-CB 3.44Å; Y439-A443 PolarHBondContact O-N 3.12Å; L440-A443 PolarHBondContact O-N 3.31Å; A443-Y446 PolarHBondContact O-N 2.92Å; A443-L447 WeakPolarHBondContact O-CB 3.44Å; A443-L447 PolarHBondContact O-N 3.48Å; A443-A456 WeakPolarHBondContact O-CB 3.48Å; A443-L459 HydrophobicContact CB-CB 3.76Å; A443-A460 HydrophobicContact CB-CB 4.24Å; A443-L479 HydrophobicContact CB-CD1 4.02Å
444R92.4Very high89.8Confident83 Ų8347.3 Ų47.331%0.31325%0.245SC..Hα-helixtrans-60.4-47.6173.4178.3-177.7166-171.4-12.8111.8L440 F441 A442 Y446 L447 E448 L479 M867L440-R444 WeakPolarHBondContact O-CB 3.26Å; L440-R444 PolarHBondContact O-N 3.41Å; F441-R444 PolarHBondContact O-N 3.44Å; A442-R444 VanDerWaalsContact C-N 3.28Å; A442-R444 PolarHBondContact O-N 3.15Å; R444-Y446 PolarHBondContact O-N 2.7Å; R444-L447 PolarHBondContact O-N 2.92Å; R444-E448 VanDerWaalsContact CG-CD 3.44Å; R444-E448 HydrophobicContact CG-CG 4.09Å; R444-E448 WeakPolarHBondContact CG-OE2 3.38Å; R444-E448 IonicContact CZ-OE2 2.68Å; R444-E448 IonicContact NE-OE1 3.01Å; R444-E448 PolarHBondContact NE-OE1 3.29Å; R444-E448 IonicContact NE-OE2 3.12Å; R444-E448 PolarHBondContact NE-OE2 3.3Å; R444-E448 IonicContact NH2-OE2 3.52Å; R444-E448 WeakPolarHBondContact O-CB 3.29Å; R444-E448 WeakPolarHBondContact O-CG 3.3Å; R444-E448 PolarHBondContact O-N 2.86Å; R444-L479 HydrophobicContact CB-CD2 4.26Å; R444-M867 HydrophobicContact CG-CB 4.28Å
445L91.3Very high90.6Very high11 Ų1144 Ų446%0.05822%0.223CC..Hα-helixtrans-56.6-48.9177.7-177.273.3000111.5V410 D415 A418 F422 F441 A442 L447 K449 F450V410-L445 HydrophobicContact CG2-CD1 4.4Å; V410-L445 HydrophobicContact CG2-CD2 4.3Å; D415-L445 HydrophobicContact CB-CD1 4.48Å; A418-L445 HydrophobicContact CB-CD2 4.04Å; F422-L445 HydrophobicContact CD2-CD2 4.09Å; F422-L445 HydrophobicContact CE2-CD2 4.15Å; F441-L445 PolarHBondContact O-N 2.78Å; A442-L445 WeakPolarHBondContact O-CB 3.2Å; A442-L445 PolarHBondContact O-N 3.07Å; A442-L445 VanDerWaalsContact O-N 3.1Å; L445-L447 VanDerWaalsContact C-N 3.33Å; L445-L447 PolarHBondContact O-N 2.88Å; L445-K449 HydrophobicContact CD1-CB 4.46Å; L445-K449 HydrophobicContact CD1-CG 3.74Å; L445-K449 VanDerWaalsContact O-CB 3.3Å; L445-K449 WeakPolarHBondContact O-CB 3.36Å; L445-K449 PolarHBondContact O-N 3.3Å; L445-F450 HydrophobicContact CG-CE2 4.39Å
446Y92.2Very high91.1Very high29 Ų2943.9 Ų43.911%0.11422%0.222CC..Hα-helixtrans-62-38.9178-83-76.3000112.9A419 R423 A442 A443 R444 F450 E451 A452 L459A419-Y446 HydrophobicContact CB-CE1 4.07Å; A419-Y446 HydrophobicContact CB-CE2 4.42Å; A419-Y446 PolarHBondContact O-OH 3.3Å; R423-Y446 WeakPolarHBondContact CG-OH 3.45Å; A442-Y446 VanDerWaalsContact O-CD2 3.24Å; A442-Y446 WeakPolarHBondContact O-CD2 3.33Å; A442-Y446 PolarHBondContact O-N 3.03Å; A443-Y446 PolarHBondContact O-N 2.92Å; R444-Y446 PolarHBondContact O-N 2.7Å; Y446-F450 HydrophobicContact CD1-CD2 4.15Å; Y446-F450 CarbonylContact O-C 3.6Å; Y446-F450 PolarHBondContact O-N 2.92Å; Y446-E451 PolarHBondContact O-N 3.24Å; Y446-A452 HydrophobicContact CD1-CB 4.18Å; Y446-A452 PolarHBondContact O-N 3.14Å; Y446-A452 VanDerWaalsContact O-N 3.08Å; Y446-L459 HydrophobicContact CD2-CD1 3.51Å; Y446-L459 HydrophobicContact CE2-CD1 3.89Å; Y446-L459 HydrophobicContact CG-CD1 4.42Å
447L90.4Very high91.5Very high2 Ų244.6 Ų44.61%0.0122%0.224CC..Hα-helixtrans-70.8-47.4178.8-174.261.5000112.4A443 R444 L445 A456 L479 L482 A483 R486A443-L447 WeakPolarHBondContact O-CB 3.44Å; A443-L447 PolarHBondContact O-N 3.48Å; R444-L447 PolarHBondContact O-N 2.92Å; L445-L447 VanDerWaalsContact C-N 3.33Å; L445-L447 PolarHBondContact O-N 2.88Å; L447-A456 HydrophobicContact CB-CB 3.9Å; L447-A456 HydrophobicContact CD1-CB 4.42Å; L447-L479 HydrophobicContact CD2-CD2 4.17Å; L447-L482 HydrophobicContact CD2-CB 3.86Å; L447-A483 HydrophobicContact CD1-CB 3.84Å; L447-R486 PolarHBondContact O-NH1 3.27Å
448E86.3Confident91.6Very high42 Ų4247.2 Ų47.220%0.19623%0.226CC..Hα-helixtrans-80.8-35.2-171.7-67.6-178.1171.100113R444 V866 M867 S868R444-E448 VanDerWaalsContact CG-CD 3.44Å; R444-E448 HydrophobicContact CG-CG 4.09Å; R444-E448 WeakPolarHBondContact CG-OE2 3.38Å; R444-E448 IonicContact CZ-OE2 2.68Å; R444-E448 IonicContact NE-OE1 3.01Å; R444-E448 PolarHBondContact NE-OE1 3.29Å; R444-E448 IonicContact NE-OE2 3.12Å; R444-E448 PolarHBondContact NE-OE2 3.3Å; R444-E448 IonicContact NH2-OE2 3.52Å; R444-E448 WeakPolarHBondContact O-CB 3.29Å; R444-E448 WeakPolarHBondContact O-CG 3.3Å; R444-E448 PolarHBondContact O-N 2.86Å; E448-V866 HydrophobicContact CG-CB 4.44Å; E448-V866 HydrophobicContact CG-CG1 4.25Å; E448-M867 WeakPolarHBondContact OE1-CA 3.3Å; E448-M867 WeakPolarHBondContact OE1-CB 3.33Å; E448-M867 PolarHBondContact OE1-N 3.09Å; E448-S868 PolarHBondContact OE1-N 3.11Å; E448-S868 VanDerWaalsContact OE1-N 3.16Å
449K86.1Confident91.8Very high121 Ų12146.5 Ų46.553%0.52622%0.222SC..Hα-helixtrans-100.9-31.6-173.3-60-59.9-164.5160.10114.9D415 L445D415-K449 HydrophobicContact CB-CB 4.34Å; D415-K449 HydrophobicContact CB-CG 4.35Å; D415-K449 WeakPolarHBondContact OD2-CD 3.16Å; D415-K449 VanDerWaalsContact OD2-CE 3.23Å; D415-K449 WeakPolarHBondContact OD2-CE 3.44Å; D415-K449 WeakPolarHBondContact OD2-CG 3.39Å; D415-K449 IonicContact OD2-NZ 3.93Å; D415-K449 PolarHBondContact OD2-NZ 2.96Å; L445-K449 HydrophobicContact CD1-CB 4.46Å; L445-K449 HydrophobicContact CD1-CG 3.74Å; L445-K449 VanDerWaalsContact O-CB 3.3Å; L445-K449 WeakPolarHBondContact O-CB 3.36Å; L445-K449 PolarHBondContact O-N 3.3Å
450F86.4Confident91.8Very high86 Ų8645.6 Ų45.638%0.37722%0.218SC..Hα-helixtrans-115.3-5.6-173.7-60.6-77.3000113.6D415 A419 L445 Y446 A452D415-F450 VanDerWaalsContact C-CZ 3.49Å; D415-F450 HydrophobicContact CB-CE2 4.15Å; D415-F450 HydrophobicContact CB-CZ 3.86Å; D415-F450 WeakPolarHBondContact O-CZ 3.37Å; A419-F450 HydrophobicContact CB-CE2 3.83Å; A419-F450 HydrophobicContact CB-CZ 4.02Å; L445-F450 HydrophobicContact CG-CE2 4.39Å; Y446-F450 HydrophobicContact CD1-CD2 4.15Å; Y446-F450 CarbonylContact O-C 3.6Å; Y446-F450 PolarHBondContact O-N 2.92Å; F450-A452 HydrophobicContact CB-CB 4.04Å; F450-A452 PolarHBondContact O-N 3.02Å
451E84.5Confident91.9Very high105 Ų10548.9 Ų48.949%0.49123%0.233SC..  trans52.622.6-173.1-56.6-175.2160.400113.2Y446 C453Y446-E451 PolarHBondContact O-N 3.24Å; E451-C453 VanDerWaalsContact C-N 3.25Å; E451-C453 PolarHBondContact O-N 2.91Å; E451-C453 PolarHBondContact O-SG 3.18Å; E451-C453 VanDerWaalsContact O-SG 3.34Å
452A89.3Confident91.9Very high30 Ų3049.6 Ų49.625%0.24824%0.237CC..  trans-83.570.9-173.200000110.2Y446 F450 D454 T455 A456Y446-A452 HydrophobicContact CD1-CB 4.18Å; Y446-A452 PolarHBondContact O-N 3.14Å; Y446-A452 VanDerWaalsContact O-N 3.08Å; F450-A452 HydrophobicContact CB-CB 4.04Å; F450-A452 PolarHBondContact O-N 3.02Å; A452-D454 PolarHBondContact O-N 2.92Å; A452-T455 WeakPolarHBondContact CB-OG1 3.37Å; A452-T455 PolarHBondContact O-N 3.39Å; A452-T455 PolarHBondContact O-OG1 2.64Å; A452-A456 PolarHBondContact O-N 2.93Å
453C91.5Very high91.8Very high8 Ų849.6 Ų49.65%0.05424%0.237CC..Hα-helixtrans-59.7-41-169.3-61.50000112.5E451 T455 A456 I457 A483 M487E451-C453 VanDerWaalsContact C-N 3.25Å; E451-C453 PolarHBondContact O-N 2.91Å; E451-C453 PolarHBondContact O-SG 3.18Å; E451-C453 VanDerWaalsContact O-SG 3.34Å; C453-T455 PolarHBondContact O-N 3.32Å; C453-A456 PolarHBondContact O-N 3.08Å; C453-I457 VanDerWaalsContact O-CG1 3.29Å; C453-I457 WeakPolarHBondContact O-CG1 3.4Å; C453-I457 PolarHBondContact O-N 3.37Å; C453-A483 HydrophobicContact CB-CB 4.19Å; C453-M487 HydrophobicContact CB-CE 3.27Å; C453-M487 HydrophobicContact CB-CG 3.55Å; C453-M487 HydrophobicContact CB-SD 4.2Å
454D93.4Very high91.8Very high111 Ų11151.9 Ų51.959%0.59425%0.247SC*.Hα-helixtrans-62-42178.5-66.7-48.9000112.6A452 K458 M487A452-D454 PolarHBondContact O-N 2.92Å; D454-K458 WeakPolarHBondContact O-CG 3.32Å; D454-K458 PolarHBondContact O-N 3.31Å; D454-M487 HydrophobicContact CB-CE 4.45Å; D454-M487 WeakPolarHBondContact OD1-CE 3.37Å
455T94Very high91.7Very high56 Ų5653.8 Ų53.834%0.34426%0.264SS..Hα-helixtrans-70.7-38.117850.40000111.6A452 C453 I457 K458 L459A452-T455 WeakPolarHBondContact CB-OG1 3.37Å; A452-T455 PolarHBondContact O-N 3.39Å; A452-T455 PolarHBondContact O-OG1 2.64Å; C453-T455 PolarHBondContact O-N 3.32Å; T455-I457 PolarHBondContact O-N 2.98Å; T455-K458 PolarHBondContact O-N 3.47Å; T455-L459 WeakPolarHBondContact O-CG 3.38Å; T455-L459 PolarHBondContact O-N 2.99Å; T455-L459 VanDerWaalsContact O-N 3.1Å
456A94.4Very high91.6Very high2 Ų254.8 Ų54.82%0.01727%0.272CS..Hα-helixtrans-62.8-42176.500000111.7A443 L447 A452 C453 L459 A460A443-A456 WeakPolarHBondContact O-CB 3.48Å; L447-A456 HydrophobicContact CB-CB 3.9Å; L447-A456 HydrophobicContact CD1-CB 4.42Å; A452-A456 PolarHBondContact O-N 2.93Å; C453-A456 PolarHBondContact O-N 3.08Å; A456-L459 PolarHBondContact O-N 2.89Å; A456-A460 WeakPolarHBondContact O-CB 3.5Å; A456-A460 PolarHBondContact O-N 3.07Å
457I96.2Very high91.3Very high23 Ų2354.6 Ų54.612%0.11827%0.274CS..Hα-helixtrans-61.1-49.7176.9-69.1168.8000110.7C453 T455 L459 A460 E461 I480 A483 L484 M487C453-I457 VanDerWaalsContact O-CG1 3.29Å; C453-I457 WeakPolarHBondContact O-CG1 3.4Å; C453-I457 PolarHBondContact O-N 3.37Å; T455-I457 PolarHBondContact O-N 2.98Å; I457-L459 VanDerWaalsContact C-N 3.33Å; I457-L459 PolarHBondContact O-N 3.1Å; I457-A460 PolarHBondContact O-N 3.11Å; I457-E461 HydrophobicContact CG2-CG 4.37Å; I457-E461 WeakPolarHBondContact O-CG 3.23Å; I457-E461 PolarHBondContact O-N 3.06Å; I457-I480 HydrophobicContact CG1-CG2 4.37Å; I457-I480 HydrophobicContact CG2-CG1 4.46Å; I457-I480 HydrophobicContact CG2-CG2 4.3Å; I457-A483 HydrophobicContact CD1-CB 3.96Å; I457-A483 HydrophobicContact CG1-CB 3.58Å; I457-L484 HydrophobicContact CD1-CD2 4Å; I457-L484 HydrophobicContact CD1-CG 4.27Å; I457-M487 HydrophobicContact CD1-CE 3.57Å; I457-M487 HydrophobicContact CD1-SD 4.32Å
458K95.2Very high91.1Very high131 Ų13158 Ų5857%0.5731%0.31SS*.Hα-helixtrans-58.6-43.6179.9-70.3173-175.5176.30112.4D454 T455 E461 Q462D454-K458 WeakPolarHBondContact O-CG 3.32Å; D454-K458 PolarHBondContact O-N 3.31Å; T455-K458 PolarHBondContact O-N 3.47Å; K458-E461 PolarHBondContact O-N 3.26Å; K458-Q462 WeakPolarHBondContact O-CG 3.44Å; K458-Q462 PolarHBondContact O-N 2.85Å
459L94.4Very high91.3Very high19 Ų1960.3 Ų60.310%0.09932%0.324CS..Hα-helixtrans-67.3-40.1177.9-68.9170.9000111.6F426 Y439 A442 A443 Y446 T455 A456 I457 Q462 A463F426-L459 HydrophobicContact CD2-CD2 3.84Å; F426-L459 HydrophobicContact CE2-CD2 3.75Å; Y439-L459 HydrophobicContact CD1-CD2 3.94Å; Y439-L459 HydrophobicContact CE1-CD2 4.37Å; A442-L459 HydrophobicContact CB-CD1 4.09Å; A443-L459 HydrophobicContact CB-CB 3.76Å; Y446-L459 HydrophobicContact CD2-CD1 3.51Å; Y446-L459 HydrophobicContact CE2-CD1 3.89Å; Y446-L459 HydrophobicContact CG-CD1 4.42Å; T455-L459 WeakPolarHBondContact O-CG 3.38Å; T455-L459 PolarHBondContact O-N 2.99Å; T455-L459 VanDerWaalsContact O-N 3.1Å; A456-L459 PolarHBondContact O-N 2.89Å; I457-L459 VanDerWaalsContact C-N 3.33Å; I457-L459 PolarHBondContact O-N 3.1Å; L459-Q462 WeakPolarHBondContact O-CB 3.17Å; L459-Q462 PolarHBondContact O-N 3.15Å; L459-A463 PolarHBondContact O-N 2.74Å
460A95.3Very high91.6Very high0 Ų056.8 Ų56.80%032%0.317CS..Hα-helixtrans-67-35.3175.900000112.5A443 A456 I457 A463 F464 S476 L479 I480A443-A460 HydrophobicContact CB-CB 4.24Å; A456-A460 WeakPolarHBondContact O-CB 3.5Å; A456-A460 PolarHBondContact O-N 3.07Å; I457-A460 PolarHBondContact O-N 3.11Å; A460-A463 WeakPolarHBondContact O-CB 3.45Å; A460-A463 PolarHBondContact O-N 3.34Å; A460-F464 WeakPolarHBondContact O-CB 3.5Å; A460-F464 PolarHBondContact O-N 3.41Å; A460-S476 WeakPolarHBondContact O-CB 3.48Å; A460-L479 HydrophobicContact CB-CB 4.17Å; A460-I480 HydrophobicContact CB-CD1 4.15Å; A460-I480 HydrophobicContact CB-CG1 3.62Å
461E95Very high92Very high93 Ų9356.4 Ų56.444%0.43532%0.316SS..Hα-helixtrans-64.9-39.2171.7-72.4176.416500111.9I457 K458 F464 N465 I480I457-E461 HydrophobicContact CG2-CG 4.37Å; I457-E461 WeakPolarHBondContact O-CG 3.23Å; I457-E461 PolarHBondContact O-N 3.06Å; K458-E461 PolarHBondContact O-N 3.26Å; E461-F464 WeakPolarHBondContact O-CB 3.07Å; E461-F464 PolarHBondContact O-N 3.38Å; E461-N465 PolarHBondContact O-N 3.4Å; E461-N465 PolarHBondContact O-ND2 3.24Å; E461-I480 HydrophobicContact CG-CD1 3.79Å
462Q92.7Very high92.3Very high89 Ų8952.7 Ų52.742%0.41630%0.301SS..Hα-helixtrans-63.5-40.1172.3-72.4175.4-17.900112Y439 K458 L459 N465 S466Y439-Q462 HydrophobicContact CD1-CB 3.97Å; Y439-Q462 HydrophobicContact CD2-CB 4.34Å; Y439-Q462 HydrophobicContact CE1-CB 4.07Å; Y439-Q462 HydrophobicContact CE2-CB 4.41Å; Y439-Q462 HydrophobicContact CG-CB 4.14Å; K458-Q462 WeakPolarHBondContact O-CG 3.44Å; K458-Q462 PolarHBondContact O-N 2.85Å; L459-Q462 WeakPolarHBondContact O-CB 3.17Å; L459-Q462 PolarHBondContact O-N 3.15Å; Q462-N465 PolarHBondContact O-N 3.03Å; Q462-S466 WeakPolarHBondContact O-CB 3.44Å; Q462-S466 PolarHBondContact O-N 3.47Å; Q462-S466 PolarHBondContact O-OG 3.3Å
463A92.6Very high92.6Very high0 Ų054.1 Ų54.10%030%0.302CS..Hα-helixtrans-62-41.7172.700000112.5L440 L459 A460 N465 S466 S467L440-A463 HydrophobicContact CD2-CB 3.83Å; L440-A463 HydrophobicContact CG-CB 3.76Å; L459-A463 PolarHBondContact O-N 2.74Å; A460-A463 WeakPolarHBondContact O-CB 3.45Å; A460-A463 PolarHBondContact O-N 3.34Å; A463-N465 VanDerWaalsContact C-N 3.34Å; A463-N465 PolarHBondContact O-N 3.45Å; A463-S466 WeakPolarHBondContact CA-OG 3.34Å; A463-S466 PolarHBondContact O-N 3.06Å; A463-S466 PolarHBondContact O-OG 2.99Å; A463-S467 PolarHBondContact O-N 3.42Å
464F93.7Very high92.7Very high48 Ų4853.7 Ų53.721%0.21130%0.299CS..Hα-helixtrans-62.5-41.1178.4-179.5-90.8000112.2A460 E461 K473 S476 K477 L514A460-F464 WeakPolarHBondContact O-CB 3.5Å; A460-F464 PolarHBondContact O-N 3.41Å; E461-F464 WeakPolarHBondContact O-CB 3.07Å; E461-F464 PolarHBondContact O-N 3.38Å; F464-K473 HydrophobicContact CD2-CB 3.76Å; F464-K473 HydrophobicContact CD2-CD 4.31Å; F464-K473 HydrophobicContact CD2-CG 3.84Å; F464-K473 HydrophobicContact CE2-CB 3.73Å; F464-K473 HydrophobicContact CE2-CD 3.93Å; F464-K473 HydrophobicContact CE2-CG 3.92Å; F464-K473 HydrophobicContact CG-CG 4.49Å; F464-K473 HydrophobicContact CZ-CD 4.21Å; F464-S476 PolarHBondContact N-OG 2.86Å; F464-K477 HydrophobicContact CD2-CG 4.2Å; F464-K477 HydrophobicContact CE2-CG 4.17Å; F464-L514 HydrophobicContact CE2-CD1 3.81Å
465N91.5Very high92.8Very high124 Ų12450.3 Ų50.366%0.66328%0.278SS*.Hα-helixtrans-77.6-30.2-178.6-68.5-30.9000113.2E461 Q462 A463E461-N465 PolarHBondContact O-N 3.4Å; E461-N465 PolarHBondContact O-ND2 3.24Å; Q462-N465 PolarHBondContact O-N 3.03Å; A463-N465 VanDerWaalsContact C-N 3.34Å; A463-N465 PolarHBondContact O-N 3.45Å
466S88.7Confident92.9Very high32 Ų3247.7 Ų47.722%0.22426%0.262CS..Hα-helixtrans-81.1-19.5-175.952.10000114.8A436 Q462 A463A436-S466 WeakPolarHBondContact CA-OG 3.44Å; A436-S466 WeakPolarHBondContact CB-OG 3.41Å; Q462-S466 WeakPolarHBondContact O-CB 3.44Å; Q462-S466 PolarHBondContact O-N 3.47Å; Q462-S466 PolarHBondContact O-OG 3.3Å; A463-S466 WeakPolarHBondContact CA-OG 3.34Å; A463-S466 PolarHBondContact O-N 3.06Å; A463-S466 PolarHBondContact O-OG 2.99Å
467S86.2Confident93Very high24 Ų2449.4 Ų49.417%0.16827%0.269CS..  trans-116.3139.7-178.7179.60000113.1A463 N469 K473A463-S467 PolarHBondContact O-N 3.42Å; S467-N469 WeakPolarHBondContact OG-CB 3.43Å; S467-N469 PolarHBondContact OG-N 3.35Å; S467-N469 VanDerWaalsContact OG-N 3.08Å; S467-K473 WeakPolarHBondContact O-CE 3.08Å
468G85.8Confident93Very high74 Ų7448.3 Ų48.376%0.76326%0.263SS*.  trans-84.8-8.516900000114.4A470G468-A470 PolarHBondContact O-N 3.19Å
469N90.9Very high93Very high90 Ų9042.2 Ų42.248%0.48124%0.237SC..  trans-74.9122.5-175.2-175.1-15.3000111.1S467 H471 V472 K473S467-N469 WeakPolarHBondContact OG-CB 3.43Å; S467-N469 PolarHBondContact OG-N 3.35Å; S467-N469 VanDerWaalsContact OG-N 3.08Å; N469-H471 VanDerWaalsContact C-N 3.28Å; N469-H471 PolarHBondContact O-N 3.37Å; N469-H471 PolarHBondContact OD1-N 3.43Å; N469-V472 HydrophobicContact CB-CB 4.17Å; N469-V472 HydrophobicContact CB-CG2 3.93Å; N469-V472 PolarHBondContact O-N 3.07Å; N469-V472 VanDerWaalsContact O-N 3.16Å; N469-K473 WeakPolarHBondContact O-CG 3.46Å; N469-K473 PolarHBondContact O-N 3.42Å
470A92.9Very high93.1Very high48 Ų4841.8 Ų41.840%0.39723%0.234SC..Hα-helixtrans-52.2-43.2178.500000113G468 K473 S474G468-A470 PolarHBondContact O-N 3.19Å; A470-K473 WeakPolarHBondContact O-CB 3.46Å; A470-K473 PolarHBondContact O-N 3.45Å; A470-S474 PolarHBondContact O-N 2.97Å
471H93.3Very high93.1Very high77 Ų7741.8 Ų41.836%0.35623%0.234SC..Hα-helixtrans-64.9-43.8179.4-17467.9000112.3N469 K473 S474 R475 D515N469-H471 VanDerWaalsContact C-N 3.28Å; N469-H471 PolarHBondContact O-N 3.37Å; N469-H471 PolarHBondContact OD1-N 3.43Å; H471-K473 VanDerWaalsContact C-N 3.29Å; H471-K473 PolarHBondContact O-N 3.47Å; H471-S474 PolarHBondContact O-N 3.35Å; H471-R475 WeakPolarHBondContact O-CG 3.3Å; H471-R475 PolarHBondContact O-N 3.23Å; H471-D515 IonicContact CE1-OD2 2.78Å; H471-D515 IonicContact CG-OD2 3.44Å; H471-D515 IonicContact ND1-OD2 3.29Å; H471-D515 PolarHBondContact ND1-OD2 3.4Å
472V92.4Very high93Very high28 Ų2837.3 Ų37.317%0.1721%0.214CC..Hα-helixtrans-63.6-38.4177.1175.80000110.5A436 L440 N469 R475 S476A436-V472 HydrophobicContact CB-CG1 3.79Å; L440-V472 HydrophobicContact CD1-CG1 3.83Å; N469-V472 HydrophobicContact CB-CB 4.17Å; N469-V472 HydrophobicContact CB-CG2 3.93Å; N469-V472 PolarHBondContact O-N 3.07Å; N469-V472 VanDerWaalsContact O-N 3.16Å; V472-R475 PolarHBondContact O-N 2.87Å; V472-S476 WeakPolarHBondContact O-CB 3.16Å; V472-S476 PolarHBondContact O-N 2.81Å; V472-S476 PolarHBondContact O-OG 3.36Å
473K94.3Very high93.1Very high59 Ų5933.1 Ų33.126%0.25719%0.194SC..Hα-helixtrans-66.4-43.9175.1-71.8-171.4178.9-170.10112.5F464 S467 N469 A470 H471 S476 K477 L514F464-K473 HydrophobicContact CD2-CB 3.76Å; F464-K473 HydrophobicContact CD2-CD 4.31Å; F464-K473 HydrophobicContact CD2-CG 3.84Å; F464-K473 HydrophobicContact CE2-CB 3.73Å; F464-K473 HydrophobicContact CE2-CD 3.93Å; F464-K473 HydrophobicContact CE2-CG 3.92Å; F464-K473 HydrophobicContact CG-CG 4.49Å; F464-K473 HydrophobicContact CZ-CD 4.21Å; S467-K473 WeakPolarHBondContact O-CE 3.08Å; N469-K473 WeakPolarHBondContact O-CG 3.46Å; N469-K473 PolarHBondContact O-N 3.42Å; A470-K473 WeakPolarHBondContact O-CB 3.46Å; A470-K473 PolarHBondContact O-N 3.45Å; H471-K473 VanDerWaalsContact C-N 3.29Å; H471-K473 PolarHBondContact O-N 3.47Å; K473-S476 WeakPolarHBondContact O-CB 3.46Å; K473-S476 PolarHBondContact O-N 2.77Å; K473-K477 PolarHBondContact O-N 3.42Å; K473-L514 HydrophobicContact CB-CD1 4.13Å; K473-L514 HydrophobicContact CB-CD2 4.39Å
474S95.2Very high93.1Very high0 Ų034.3 Ų34.30%020%0.2CC..Hα-helixtrans-55.3-54171.9171.60000110.3A470 H471 S476 K477 V478 A511 D518A470-S474 PolarHBondContact O-N 2.97Å; H471-S474 PolarHBondContact O-N 3.35Å; S474-S476 VanDerWaalsContact C-N 3.27Å; S474-S476 PolarHBondContact O-N 3.38Å; S474-K477 CarbonylContact O-C 3.52Å; S474-K477 WeakPolarHBondContact O-CA 3.48Å; S474-K477 WeakPolarHBondContact O-CB 3.4Å; S474-K477 PolarHBondContact O-N 3.03Å; S474-V478 WeakPolarHBondContact O-CG2 3.12Å; S474-V478 PolarHBondContact O-N 2.91Å; S474-A511 PolarHBondContact OG-O 2.66Å; S474-D518 PolarHBondContact OG-OD2 3.25Å
475R95.1Very high93Very high40 Ų4032.1 Ų32.115%0.15119%0.191CC..Hα-helixtrans-61.3-32.8-179.9-67.4-59.5179.1122.9-9.4113.8L440 H471 V472 V478 L479 D518 M867L440-R475 HydrophobicContact CD1-CB 4.34Å; H471-R475 WeakPolarHBondContact O-CG 3.3Å; H471-R475 PolarHBondContact O-N 3.23Å; V472-R475 PolarHBondContact O-N 2.87Å; R475-V478 PolarHBondContact O-N 3.39Å; R475-L479 PolarHBondContact O-N 3.38Å; R475-D518 VanDerWaalsContact CD-OD2 3.3Å; R475-D518 WeakPolarHBondContact CD-OD2 3.42Å; R475-D518 IonicContact CZ-OD1 2.78Å; R475-D518 VanDerWaalsContact CZ-OD1 3.28Å; R475-D518 IonicContact CZ-OD2 3.28Å; R475-D518 IonicContact NE-OD1 3.28Å; R475-D518 PolarHBondContact NE-OD1 2.9Å; R475-D518 IonicContact NE-OD2 2.91Å; R475-D518 PolarHBondContact NE-OD2 2.91Å; R475-D518 IonicContact NH2-OD1 2.86Å; R475-D518 PolarHBondContact NH2-OD1 3.11Å; R475-M867 HydrophobicContact CB-CE 4Å; R475-M867 HydrophobicContact CG-CE 4.13Å
476S95.2Very high92.8Very high0 Ų028 Ų280%017%0.166CC..Hα-helixtrans-62.4-47.4171.7-55.70000111.1L440 A460 F464 V472 K473 S474 L479 I480L440-S476 WeakPolarHBondContact CD2-OG 3.47Å; A460-S476 WeakPolarHBondContact O-CB 3.48Å; F464-S476 PolarHBondContact N-OG 2.86Å; V472-S476 WeakPolarHBondContact O-CB 3.16Å; V472-S476 PolarHBondContact O-N 2.81Å; V472-S476 PolarHBondContact O-OG 3.36Å; K473-S476 WeakPolarHBondContact O-CB 3.46Å; K473-S476 PolarHBondContact O-N 2.77Å; S474-S476 VanDerWaalsContact C-N 3.27Å; S474-S476 PolarHBondContact O-N 3.38Å; S476-L479 PolarHBondContact O-N 3.49Å; S476-I480 WeakPolarHBondContact O-CG1 3.37Å; S476-I480 PolarHBondContact O-N 3.42Å; S476-I480 VanDerWaalsContact O-N 3.09Å
477K96.6Very high92.7Very high38 Ų3827.9 Ų27.917%0.16516%0.162CC..Hα-helixtrans-65.9-39.1176.8-70.6-76.3179.4168.60112.1F464 K473 S474 L479 I480 G481 V507 E510 A511 L514F464-K477 HydrophobicContact CD2-CG 4.2Å; F464-K477 HydrophobicContact CE2-CG 4.17Å; K473-K477 PolarHBondContact O-N 3.42Å; S474-K477 CarbonylContact O-C 3.52Å; S474-K477 WeakPolarHBondContact O-CA 3.48Å; S474-K477 WeakPolarHBondContact O-CB 3.4Å; S474-K477 PolarHBondContact O-N 3.03Å; K477-L479 VanDerWaalsContact C-N 3.34Å; K477-L479 PolarHBondContact O-N 3.31Å; K477-I480 HydrophobicContact CD-CD1 4.5Å; K477-I480 PolarHBondContact O-N 3.14Å; K477-G481 PolarHBondContact O-N 3Å; K477-V507 HydrophobicContact CB-CG1 4.14Å; K477-V507 HydrophobicContact CD-CG1 3.95Å; K477-V507 WeakPolarHBondContact O-CG1 3.35Å; K477-E510 HydrophobicContact CD-CB 4.49Å; K477-E510 WeakPolarHBondContact CE-OE2 3.41Å; K477-E510 IonicContact NZ-OE2 3.58Å; K477-E510 PolarHBondContact NZ-OE2 2.7Å; K477-A511 HydrophobicContact CB-CB 3.66Å; K477-L514 HydrophobicContact CG-CD1 3.82Å
478V96Very high92.6Very high0 Ų027 Ų270%016%0.157CC..Hα-helixtrans-56.2-47.8173.1172.60000111S474 R475 I480 G481 L482 F508 A511 L520 A521 Y524S474-V478 WeakPolarHBondContact O-CG2 3.12Å; S474-V478 PolarHBondContact O-N 2.91Å; R475-V478 PolarHBondContact O-N 3.39Å; V478-I480 PolarHBondContact O-N 3.05Å; V478-G481 PolarHBondContact O-N 3.16Å; V478-L482 HydrophobicContact CG1-CD1 3.96Å; V478-L482 HydrophobicContact CG1-CG 4.38Å; V478-L482 WeakPolarHBondContact O-CB 3.33Å; V478-L482 VanDerWaalsContact O-CG 3.24Å; V478-L482 WeakPolarHBondContact O-CG 3.3Å; V478-L482 PolarHBondContact O-N 2.9Å; V478-F508 HydrophobicContact CG1-CE1 4.3Å; V478-A511 HydrophobicContact CG2-CB 3.93Å; V478-L520 HydrophobicContact CG1-CD2 4.39Å; V478-L520 HydrophobicContact CG1-CG 4.48Å; V478-A521 HydrophobicContact CG2-CB 3.73Å; V478-Y524 HydrophobicContact CG1-CD2 3.72Å; V478-Y524 HydrophobicContact CG1-CE2 4.24Å
479L95.4Very high92.2Very high3 Ų325.9 Ų25.92%0.01613%0.133CC..Hα-helixtrans-62.3-40.2176.9-77.8175.5000113L440 A443 R444 L447 A460 R475 S476 K477 L482 A483 M867L440-L479 HydrophobicContact CD2-CD1 3.7Å; A443-L479 HydrophobicContact CB-CD1 4.02Å; R444-L479 HydrophobicContact CB-CD2 4.26Å; L447-L479 HydrophobicContact CD2-CD2 4.17Å; A460-L479 HydrophobicContact CB-CB 4.17Å; R475-L479 PolarHBondContact O-N 3.38Å; S476-L479 PolarHBondContact O-N 3.49Å; K477-L479 VanDerWaalsContact C-N 3.34Å; K477-L479 PolarHBondContact O-N 3.31Å; L479-L482 HydrophobicContact CD2-CD1 4.45Å; L479-L482 PolarHBondContact O-N 3.43Å; L479-A483 WeakPolarHBondContact O-CB 3.37Å; L479-A483 PolarHBondContact O-N 3.37Å; L479-M867 HydrophobicContact CD1-SD 4.24Å; L479-M867 HydrophobicContact CD2-CB 4.37Å; L479-M867 HydrophobicContact CD2-SD 3.77Å; L479-M867 HydrophobicContact CG-SD 4.02Å
480I96.3Very high91.3Very high10 Ų1026 Ų265%0.05113%0.134CC..Hα-helixtrans-63.2-46.6175.4-64.7166000110.3I457 A460 E461 S476 K477 V478 L482 A483 L484 V507I457-I480 HydrophobicContact CG1-CG2 4.37Å; I457-I480 HydrophobicContact CG2-CG1 4.46Å; I457-I480 HydrophobicContact CG2-CG2 4.3Å; A460-I480 HydrophobicContact CB-CD1 4.15Å; A460-I480 HydrophobicContact CB-CG1 3.62Å; E461-I480 HydrophobicContact CG-CD1 3.79Å; S476-I480 WeakPolarHBondContact O-CG1 3.37Å; S476-I480 PolarHBondContact O-N 3.42Å; S476-I480 VanDerWaalsContact O-N 3.09Å; K477-I480 HydrophobicContact CD-CD1 4.5Å; K477-I480 PolarHBondContact O-N 3.14Å; V478-I480 PolarHBondContact O-N 3.05Å; I480-L482 VanDerWaalsContact C-N 3.32Å; I480-L482 PolarHBondContact O-N 3.42Å; I480-A483 PolarHBondContact O-N 2.99Å; I480-L484 HydrophobicContact CG2-CD1 4.07Å; I480-L484 HydrophobicContact CG2-CG 4.45Å; I480-L484 WeakPolarHBondContact O-CG 3.49Å; I480-L484 PolarHBondContact O-N 3.11Å; I480-V507 HydrophobicContact CB-CG1 4.03Å; I480-V507 HydrophobicContact CG2-CG1 3.96Å; I480-V507 HydrophobicContact CG2-CG2 4.38Å
481G95.2Very high90.2Very high0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-59.6-42.4177.500000112.1K477 V478 L484 S485K477-G481 PolarHBondContact O-N 3Å; V478-G481 PolarHBondContact O-N 3.16Å; G481-L484 PolarHBondContact O-N 3.1Å; G481-S485 WeakPolarHBondContact O-CB 3.45Å; G481-S485 PolarHBondContact O-N 3.25Å
482L94Very high88.8Confident0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-62.5-43.7175.7-72.4170.4000112.1L447 V478 L479 I480 S485 R486 F508 Y524 R865L447-L482 HydrophobicContact CD2-CB 3.86Å; V478-L482 HydrophobicContact CG1-CD1 3.96Å; V478-L482 HydrophobicContact CG1-CG 4.38Å; V478-L482 WeakPolarHBondContact O-CB 3.33Å; V478-L482 VanDerWaalsContact O-CG 3.24Å; V478-L482 WeakPolarHBondContact O-CG 3.3Å; V478-L482 PolarHBondContact O-N 2.9Å; L479-L482 HydrophobicContact CD2-CD1 4.45Å; L479-L482 PolarHBondContact O-N 3.43Å; I480-L482 VanDerWaalsContact C-N 3.32Å; I480-L482 PolarHBondContact O-N 3.42Å; L482-S485 PolarHBondContact O-N 3.27Å; L482-R486 WeakPolarHBondContact O-CG 3.48Å; L482-R486 PolarHBondContact O-N 3.47Å; L482-F508 HydrophobicContact CD2-CZ 4.25Å; L482-F508 HydrophobicContact CG-CE1 4.41Å; L482-F508 HydrophobicContact CG-CZ 4.13Å; L482-F508 VanDerWaalsContact N-CZ 3.33Å; L482-Y524 HydrophobicContact CD1-CD2 4.26Å; L482-Y524 HydrophobicContact CD1-CE2 3.9Å; L482-Y524 HydrophobicContact CD2-CD1 3.53Å; L482-Y524 HydrophobicContact CD2-CD2 3.98Å; L482-Y524 HydrophobicContact CD2-CE1 3.48Å; L482-Y524 VanDerWaalsContact CD2-CE1 3.48Å; L482-Y524 HydrophobicContact CD2-CE2 3.9Å; L482-Y524 HydrophobicContact CD2-CG 3.81Å; L482-Y524 HydrophobicContact CG-CD2 4.33Å; L482-Y524 HydrophobicContact CG-CE2 4.34Å; L482-Y524 HydrophobicContact CG-CG 4.48Å; L482-R865 HydrophobicContact CD2-CB 3.75Å; L482-R865 HydrophobicContact CD2-CG 4.24Å
483A93.2Very high87.1Confident0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-62.5-44.4176.400000111.7L447 C453 I457 L479 I480 S485 R486 M487L447-A483 HydrophobicContact CD1-CB 3.84Å; C453-A483 HydrophobicContact CB-CB 4.19Å; I457-A483 HydrophobicContact CD1-CB 3.96Å; I457-A483 HydrophobicContact CG1-CB 3.58Å; L479-A483 WeakPolarHBondContact O-CB 3.37Å; L479-A483 PolarHBondContact O-N 3.37Å; I480-A483 PolarHBondContact O-N 2.99Å; A483-S485 PolarHBondContact O-N 3.23Å; A483-R486 PolarHBondContact O-N 3.39Å; A483-M487 WeakPolarHBondContact O-CG 2.98Å; A483-M487 PolarHBondContact O-N 3.39Å
484L93.2Very high85.5Confident25 Ų2531 Ų3113%0.13117%0.165CC..Hα-helixtrans-63.8-39.9176.5-69.9173.5000112.5I457 I480 G481 M487 A488 N503 A504 V507I457-L484 HydrophobicContact CD1-CD2 4Å; I457-L484 HydrophobicContact CD1-CG 4.27Å; I480-L484 HydrophobicContact CG2-CD1 4.07Å; I480-L484 HydrophobicContact CG2-CG 4.45Å; I480-L484 WeakPolarHBondContact O-CG 3.49Å; I480-L484 PolarHBondContact O-N 3.11Å; G481-L484 PolarHBondContact O-N 3.1Å; L484-M487 HydrophobicContact CD2-SD 4.43Å; L484-M487 PolarHBondContact O-N 2.96Å; L484-A488 PolarHBondContact O-N 2.8Å; L484-N503 HydrophobicContact CD1-CB 4.2Å; L484-A504 HydrophobicContact CB-CB 4.02Å; L484-V507 HydrophobicContact CD1-CG2 3.94Å
485S91.1Very high83.8Confident2 Ų234.8 Ų34.81%0.01420%0.196CC..Hα-helixtrans-62.6-45.7175178.60000111.8G481 L482 A483 M487 A488 D489 E528 R865G481-S485 WeakPolarHBondContact O-CB 3.45Å; G481-S485 PolarHBondContact O-N 3.25Å; L482-S485 PolarHBondContact O-N 3.27Å; A483-S485 PolarHBondContact O-N 3.23Å; S485-M487 PolarHBondContact O-N 3.05Å; S485-A488 VanDerWaalsContact O-CB 3.27Å; S485-A488 WeakPolarHBondContact O-CB 3.38Å; S485-A488 PolarHBondContact O-N 3.01Å; S485-A488 VanDerWaalsContact O-N 3.09Å; S485-D489 PolarHBondContact O-N 3.26Å; S485-E528 WeakPolarHBondContact CB-OE1 3.35Å; S485-E528 VanDerWaalsContact OG-CD 3.27Å; S485-E528 PolarHBondContact OG-OE1 2.95Å; S485-E528 PolarHBondContact OG-OE2 2.77Å; S485-R865 WeakPolarHBondContact OG-CD 3.31Å; S485-R865 PolarHBondContact OG-NH1 2.8Å
486R87.6Confident82.2Confident37 Ų3734.1 Ų34.114%0.1420%0.202CC..Hα-helixtrans-62.9-42175.3-73.3-173.6-180-147-2.2112.5L447 L482 A483 A488 D489 L490 R865L447-R486 PolarHBondContact O-NH1 3.27Å; L482-R486 WeakPolarHBondContact O-CG 3.48Å; L482-R486 PolarHBondContact O-N 3.47Å; A483-R486 PolarHBondContact O-N 3.39Å; R486-A488 PolarHBondContact O-N 3.41Å; R486-D489 PolarHBondContact O-N 3.16Å; R486-D489 VanDerWaalsContact O-N 3.07Å; R486-L490 PolarHBondContact O-N 3.29Å; R486-R865 HydrophobicContact CG-CB 4.47Å; R486-R865 PolarHBondContact NE-O 3.02Å; R486-R865 VanDerWaalsContact NE-O 3.08Å; R486-R865 PolarHBondContact NH2-O 3.28Å
487M87.1Confident80.8Confident30 Ų3037.6 Ų37.615%0.14822%0.215CC..Hα-helixtrans-59.2-32.4173.6-73.5-176.9-176.300112.4C453 D454 I457 A483 L484 S485 D489 L490 L491C453-M487 HydrophobicContact CB-CE 3.27Å; C453-M487 HydrophobicContact CB-CG 3.55Å; C453-M487 HydrophobicContact CB-SD 4.2Å; D454-M487 HydrophobicContact CB-CE 4.45Å; D454-M487 WeakPolarHBondContact OD1-CE 3.37Å; I457-M487 HydrophobicContact CD1-CE 3.57Å; I457-M487 HydrophobicContact CD1-SD 4.32Å; A483-M487 WeakPolarHBondContact O-CG 2.98Å; A483-M487 PolarHBondContact O-N 3.39Å; L484-M487 HydrophobicContact CD2-SD 4.43Å; L484-M487 PolarHBondContact O-N 2.96Å; S485-M487 PolarHBondContact O-N 3.05Å; M487-D489 PolarHBondContact O-N 3.46Å; M487-L490 PolarHBondContact O-N 3.08Å; M487-L491 WeakPolarHBondContact O-CG 3.37Å; M487-L491 PolarHBondContact O-N 3.03Å
488A83.7Confident79.7Confident7 Ų740.9 Ų40.96%0.05824%0.235CC..Hα-helixtrans-64.9-29.2177.200000112.4L484 S485 R486 R497 N500L484-A488 PolarHBondContact O-N 2.8Å; S485-A488 VanDerWaalsContact O-CB 3.27Å; S485-A488 WeakPolarHBondContact O-CB 3.38Å; S485-A488 PolarHBondContact O-N 3.01Å; S485-A488 VanDerWaalsContact O-N 3.09Å; R486-A488 PolarHBondContact O-N 3.41Å; A488-R497 HydrophobicContact CB-CG 4.34Å; A488-R497 WeakPolarHBondContact O-CD 3.48Å; A488-R497 VanDerWaalsContact O-CG 3.25Å; A488-R497 WeakPolarHBondContact O-CG 3.29Å; A488-R497 PolarHBondContact O-NE 3.14Å; A488-N500 HydrophobicContact CB-CB 3.83Å
489D76.9Confident78.9Confident49 Ų4944.5 Ų44.526%0.26226%0.256SS..Hα-helixtrans-85.6-22.2178.5-76.4-14000114S485 R486 M487 L491 R497 R865S485-D489 PolarHBondContact O-N 3.26Å; R486-D489 PolarHBondContact O-N 3.16Å; R486-D489 VanDerWaalsContact O-N 3.07Å; M487-D489 PolarHBondContact O-N 3.46Å; D489-L491 VanDerWaalsContact C-N 3.31Å; D489-R497 IonicContact OD1-CZ 3.24Å; D489-R497 IonicContact OD1-NE 2.87Å; D489-R497 IonicContact OD1-NH2 2.91Å; D489-R497 PolarHBondContact OD1-NH2 3.26Å; D489-R865 IonicContact OD2-CZ 2.71Å; D489-R865 IonicContact OD2-NH1 2.7Å; D489-R865 PolarHBondContact OD2-NH1 3.09Å; D489-R865 IonicContact OD2-NH2 2.88Å; D489-R865 PolarHBondContact OD2-NH2 2.84Å
490L73.2Confident78.2Confident94 Ų9445.8 Ų45.849%0.49226%0.263SS..Hα-helixtrans-74.8-21.7172.9-66.5174.1000112.7R486 M487R486-L490 PolarHBondContact O-N 3.29Å; M487-L490 PolarHBondContact O-N 3.08Å
491L69.7Low77.6Confident70 Ų7046.2 Ų46.237%0.36627%0.27SS..SBendtrans-89.3137.1-178.8-67.7172.3000111.3M487 D489 N500M487-L491 WeakPolarHBondContact O-CG 3.37Å; M487-L491 PolarHBondContact O-N 3.03Å; D489-L491 VanDerWaalsContact C-N 3.31Å; L491-N500 VanDerWaalsContact CD1-ND2 3.35Å; L491-N500 WeakPolarHBondContact CD1-ND2 3.22Å
492P63.8Low77.3Confident92 Ų9252.9 Ų52.960%0.59730%0.299SS*.  trans-57.5149.1169.223.4-30.8000110T494P492-T494 HydrophobicContact CB-CG2 4.35Å; P492-T494 HydrophobicContact CG-CG2 4.24Å; P492-T494 WeakPolarHBondContact O-CB 3.37Å; P492-T494 PolarHBondContact O-N 3.1Å; P492-T494 PolarHBondContact O-OG1 3.24Å
493L56.1Low77.2Confident77 Ų7755.7 Ų55.740%0.40331%0.314SS..THydrogen-bonded Turntrans-55.982.6176-83.6145.4000111.1R497 R816 P819L493-R497 VanDerWaalsContact CG-NH1 3.33Å; L493-R816 WeakPolarHBondContact CD1-O 3.19Å; L493-P819 HydrophobicContact CD1-CG 3.5Å; L493-P819 HydrophobicContact CD2-CG 3.79Å; L493-P819 HydrophobicContact CG-CG 4.29Å
494T60Low77.2Confident76 Ų7655.7 Ų55.747%0.46631%0.314SS..THydrogen-bonded Turntrans-135.8174.6-178.256.40000107.2P492 G496 R497P492-T494 HydrophobicContact CB-CG2 4.35Å; P492-T494 HydrophobicContact CG-CG2 4.24Å; P492-T494 WeakPolarHBondContact O-CB 3.37Å; P492-T494 PolarHBondContact O-N 3.1Å; P492-T494 PolarHBondContact O-OG1 3.24Å; T494-G496 PolarHBondContact O-N 3.23Å; T494-R497 PolarHBondContact O-N 3.14Å
495A59.4Low77.3Confident80 Ų8055.8 Ų55.866%0.66131%0.314SS*.Hα-helixtrans-49.5-29.9177.400000113.4V499A495-V499 VanDerWaalsContact O-CG2 3.29Å; A495-V499 WeakPolarHBondContact O-CG2 3.39Å; A495-V499 PolarHBondContact O-N 2.8Å
496G62.1Low77.6Confident26 Ų2661.8 Ų61.827%0.26834%0.34SS..Hα-helixtrans-63.7-41.4177.800000114.9T494 N498 V499 N500T494-G496 PolarHBondContact O-N 3.23Å; G496-N498 VanDerWaalsContact C-N 3.35Å; G496-N498 PolarHBondContact O-N 3.38Å; G496-V499 PolarHBondContact O-N 3.42Å; G496-N500 PolarHBondContact O-N 3.25Å
497R66.5Low78Confident74 Ų7460.9 Ų60.928%0.27934%0.339SS..Hα-helixtrans-61.3-43.9178.7-179.3166.1-168.7-165.77.3111.6A488 D489 L493 T494 V499 N500 G501A488-R497 HydrophobicContact CB-CG 4.34Å; A488-R497 WeakPolarHBondContact O-CD 3.48Å; A488-R497 VanDerWaalsContact O-CG 3.25Å; A488-R497 WeakPolarHBondContact O-CG 3.29Å; A488-R497 PolarHBondContact O-NE 3.14Å; D489-R497 IonicContact OD1-CZ 3.24Å; D489-R497 IonicContact OD1-NE 2.87Å; D489-R497 IonicContact OD1-NH2 2.91Å; D489-R497 PolarHBondContact OD1-NH2 3.26Å; L493-R497 VanDerWaalsContact CG-NH1 3.33Å; T494-R497 PolarHBondContact O-N 3.14Å; R497-V499 VanDerWaalsContact C-N 3.31Å; R497-V499 PolarHBondContact O-N 3.29Å; R497-N500 PolarHBondContact O-N 3.28Å; R497-G501 PolarHBondContact O-N 3.19Å
498N72.5Confident78.5Confident107 Ų10759.4 Ų59.457%0.57233%0.332SS*.Hα-helixtrans-66.5-32.6177.5-72.5-17.1000112.7G496 K502G496-N498 VanDerWaalsContact C-N 3.35Å; G496-N498 PolarHBondContact O-N 3.38Å; N498-K502 WeakPolarHBondContact O-CB 3.39Å; N498-K502 VanDerWaalsContact O-CG 3.24Å; N498-K502 WeakPolarHBondContact O-CG 3.42Å; N498-K502 PolarHBondContact O-N 3.3Å
499V79.7Confident79.1Confident76 Ų7661.9 Ų61.946%0.46134%0.342SS..Hα-helixtrans-70.2-47.6176.2171.20000110.6A495 G496 R497 K502 N503A495-V499 VanDerWaalsContact O-CG2 3.29Å; A495-V499 WeakPolarHBondContact O-CG2 3.39Å; A495-V499 PolarHBondContact O-N 2.8Å; G496-V499 PolarHBondContact O-N 3.42Å; R497-V499 VanDerWaalsContact C-N 3.31Å; R497-V499 PolarHBondContact O-N 3.29Å; V499-K502 PolarHBondContact O-N 3.05Å; V499-N503 WeakPolarHBondContact O-CB 3.39Å; V499-N503 PolarHBondContact O-N 3.19Å; V499-N503 PolarHBondContact O-ND2 3.47Å
500N81.6Confident80.1Confident29 Ų2963.2 Ų63.216%0.15535%0.347CS..Hα-helixtrans-64.9-42.1-179.4-74.4-4.3000112.5A488 L491 G496 R497 K502 N503 A504A488-N500 HydrophobicContact CB-CB 3.83Å; L491-N500 VanDerWaalsContact CD1-ND2 3.35Å; L491-N500 WeakPolarHBondContact CD1-ND2 3.22Å; G496-N500 PolarHBondContact O-N 3.25Å; R497-N500 PolarHBondContact O-N 3.28Å; N500-K502 PolarHBondContact O-N 3.47Å; N500-N503 PolarHBondContact O-N 2.87Å; N500-A504 WeakPolarHBondContact O-CB 3.31Å; N500-A504 PolarHBondContact O-N 3.5Å
501G83.5Confident81.2Confident19 Ų1958.8 Ų58.820%0.19632%0.323CS..Hα-helixtrans-62.3-41.2174.900000113R497 N503 A504 L505R497-G501 PolarHBondContact O-N 3.19Å; G501-N503 VanDerWaalsContact C-N 3.34Å; G501-N503 PolarHBondContact O-N 2.73Å; G501-A504 PolarHBondContact O-N 3.26Å; G501-L505 PolarHBondContact O-N 2.74Å
502K88.3Confident82.5Confident141 Ų14156 Ų5661%0.61331%0.309SS*.Hα-helixtrans-66.1-35.8174.4-74.8177.6-178.4-176.50112.7N498 V499 N500 K506N498-K502 WeakPolarHBondContact O-CB 3.39Å; N498-K502 VanDerWaalsContact O-CG 3.24Å; N498-K502 WeakPolarHBondContact O-CG 3.42Å; N498-K502 PolarHBondContact O-N 3.3Å; V499-K502 PolarHBondContact O-N 3.05Å; N500-K502 PolarHBondContact O-N 3.47Å; K502-K506 WeakPolarHBondContact O-CG 3.49Å; K502-K506 PolarHBondContact O-N 3.22Å
503N92.2Very high84.1Confident58 Ų5859 Ų5931%0.3132%0.315SS..Hα-helixtrans-70.2-40.3176.2-70.2-14.2000111.3L484 V499 N500 G501 L505 K506 V507L484-N503 HydrophobicContact CD1-CB 4.2Å; V499-N503 WeakPolarHBondContact O-CB 3.39Å; V499-N503 PolarHBondContact O-N 3.19Å; V499-N503 PolarHBondContact O-ND2 3.47Å; N500-N503 PolarHBondContact O-N 2.87Å; G501-N503 VanDerWaalsContact C-N 3.34Å; G501-N503 PolarHBondContact O-N 2.73Å; N503-L505 PolarHBondContact O-N 2.95Å; N503-K506 PolarHBondContact O-N 2.87Å; N503-V507 WeakPolarHBondContact O-CG2 3.49Å; N503-V507 PolarHBondContact O-N 3.45Å
504A93.1Very high86Confident0 Ų058.1 Ų58.10%031%0.311CS..Hα-helixtrans-57.4-49.3173.900000110.9L484 N500 G501 K506 V507 F508 E528L484-A504 HydrophobicContact CB-CB 4.02Å; N500-A504 WeakPolarHBondContact O-CB 3.31Å; N500-A504 PolarHBondContact O-N 3.5Å; G501-A504 PolarHBondContact O-N 3.26Å; A504-K506 VanDerWaalsContact C-N 3.35Å; A504-K506 PolarHBondContact O-N 3.28Å; A504-V507 PolarHBondContact O-N 3.07Å; A504-V507 VanDerWaalsContact O-N 3.15Å; A504-F508 HydrophobicContact CB-CD2 4.39Å; A504-F508 HydrophobicContact CB-CE2 4.2Å; A504-F508 WeakPolarHBondContact O-CD2 2.86Å; A504-F508 PolarHBondContact O-N 3.05Å; A504-E528 HydrophobicContact CB-CG 4.5Å
505L95.6Very high87.6Confident27 Ų2755.8 Ų55.814%0.14130%0.296CS..Hα-helixtrans-55.2-45.9175.9-76.9169.9000112.8G501 N503 V507 F508 H509 L525 E528 Y529G501-L505 PolarHBondContact O-N 2.74Å; N503-L505 PolarHBondContact O-N 2.95Å; L505-V507 PolarHBondContact O-N 3.33Å; L505-F508 PolarHBondContact O-N 3.43Å; L505-H509 PolarHBondContact O-CD2 2.96Å; L505-H509 PolarHBondContact O-N 3.48Å; L505-L525 HydrophobicContact CD2-CD1 4.12Å; L505-E528 HydrophobicContact CD2-CB 3.54Å; L505-E528 HydrophobicContact CG-CB 4.15Å; L505-Y529 HydrophobicContact CD1-CD1 4.44Å; L505-Y529 HydrophobicContact CD1-CE1 4.35Å; L505-Y529 HydrophobicContact CD2-CD1 3.79Å; L505-Y529 HydrophobicContact CD2-CD2 4.13Å; L505-Y529 HydrophobicContact CD2-CE1 3.91Å; L505-Y529 HydrophobicContact CD2-CE2 4.27Å; L505-Y529 HydrophobicContact CD2-CG 3.91Å
506K96Very high89.3Confident128 Ų12855.3 Ų55.356%0.55729%0.285SS*.Hα-helixtrans-60.3-45.7177.1-71.6174.5-178.6179.50112K502 N503 A504 F508 H509 E510K502-K506 WeakPolarHBondContact O-CG 3.49Å; K502-K506 PolarHBondContact O-N 3.22Å; N503-K506 PolarHBondContact O-N 2.87Å; A504-K506 VanDerWaalsContact C-N 3.35Å; A504-K506 PolarHBondContact O-N 3.28Å; K506-F508 VanDerWaalsContact C-N 3.33Å; K506-F508 PolarHBondContact O-N 3.24Å; K506-H509 WeakPolarHBondContact O-CB 3.47Å; K506-H509 PolarHBondContact O-N 3.34Å; K506-E510 WeakPolarHBondContact O-CG 3.14Å; K506-E510 PolarHBondContact O-N 3.32Å
507V96.7Very high90.8Very high18 Ų1859.7 Ų59.711%0.10930%0.302CS..Hα-helixtrans-65.8-36.9-179.7172.10000111.4K477 I480 L484 N503 A504 L505 E510 A511K477-V507 HydrophobicContact CB-CG1 4.14Å; K477-V507 HydrophobicContact CD-CG1 3.95Å; K477-V507 WeakPolarHBondContact O-CG1 3.35Å; I480-V507 HydrophobicContact CB-CG1 4.03Å; I480-V507 HydrophobicContact CG2-CG1 3.96Å; I480-V507 HydrophobicContact CG2-CG2 4.38Å; L484-V507 HydrophobicContact CD1-CG2 3.94Å; N503-V507 WeakPolarHBondContact O-CG2 3.49Å; N503-V507 PolarHBondContact O-N 3.45Å; A504-V507 PolarHBondContact O-N 3.07Å; A504-V507 VanDerWaalsContact O-N 3.15Å; L505-V507 PolarHBondContact O-N 3.33Å; V507-E510 PolarHBondContact O-N 2.99Å; V507-A511 PolarHBondContact O-N 3.2Å
508F97.5Very high92.1Very high0 Ų056.3 Ų56.30%029%0.289CS..Hα-helixtrans-69.4-36.6174.9-73.8-57.3000112.9V478 L482 A504 L505 K506 A511 V512 Y524 L525 E528V478-F508 HydrophobicContact CG1-CE1 4.3Å; L482-F508 HydrophobicContact CD2-CZ 4.25Å; L482-F508 HydrophobicContact CG-CE1 4.41Å; L482-F508 HydrophobicContact CG-CZ 4.13Å; L482-F508 VanDerWaalsContact N-CZ 3.33Å; A504-F508 HydrophobicContact CB-CD2 4.39Å; A504-F508 HydrophobicContact CB-CE2 4.2Å; A504-F508 WeakPolarHBondContact O-CD2 2.86Å; A504-F508 PolarHBondContact O-N 3.05Å; L505-F508 PolarHBondContact O-N 3.43Å; K506-F508 VanDerWaalsContact C-N 3.33Å; K506-F508 PolarHBondContact O-N 3.24Å; F508-A511 WeakPolarHBondContact O-CB 3.27Å; F508-A511 PolarHBondContact O-N 3.43Å; F508-V512 PolarHBondContact O-N 3.49Å; F508-Y524 VanDerWaalsContact CE1-CB 3.42Å; F508-Y524 HydrophobicContact CE1-CG 4.2Å; F508-Y524 HydrophobicContact CZ-CG 4.37Å; F508-L525 HydrophobicContact CB-CB 4.01Å; F508-L525 HydrophobicContact CB-CD1 3.75Å; F508-L525 HydrophobicContact CB-CG 4.42Å; F508-E528 HydrophobicContact CD2-CB 4.35Å; F508-E528 HydrophobicContact CD2-CG 3.48Å; F508-E528 VanDerWaalsContact CD2-CG 3.48Å; F508-E528 HydrophobicContact CE2-CG 3.29Å; F508-E528 HydrophobicContact CZ-CG 4.39Å
509H97.5Very high93.1Very high58 Ų5853.4 Ų53.427%0.26927%0.271SS..Hα-helixtrans-59-47.4169.6-80.5-61.5000111.7L505 K506 A511 V512 E513 Y529 H541L505-H509 PolarHBondContact O-CD2 2.96Å; L505-H509 PolarHBondContact O-N 3.48Å; K506-H509 WeakPolarHBondContact O-CB 3.47Å; K506-H509 PolarHBondContact O-N 3.34Å; H509-A511 PolarHBondContact O-N 2.73Å; H509-V512 PolarHBondContact O-N 2.77Å; H509-E513 WeakPolarHBondContact O-CG 3.49Å; H509-E513 PolarHBondContact O-N 3.05Å; H509-Y529 AromaticContact CE1-CE2 3.79Å; H509-Y529 AromaticContact CE1-CZ 3.9Å; H509-Y529 PolarHBondContact CE1-OH 3Å; H509-Y529 VanDerWaalsContact CE1-OH 3.22Å; H509-Y529 AromaticContact NE2-CE2 3.68Å; H509-Y529 AromaticContact NE2-CZ 3.45Å; H509-Y529 PolarHBondContact NE2-OH 2.94Å; H509-H541 AromaticContact CE1-NE2 3.98Å
510E97.3Very high93.8Very high78 Ų7849.9 Ų49.936%0.36425%0.249SC..Hα-helixtrans-58.9-37.1175-69.2173.1-165.500111.8K477 K506 V507 E513 L514K477-E510 HydrophobicContact CD-CB 4.49Å; K477-E510 WeakPolarHBondContact CE-OE2 3.41Å; K477-E510 IonicContact NZ-OE2 3.58Å; K477-E510 PolarHBondContact NZ-OE2 2.7Å; K506-E510 WeakPolarHBondContact O-CG 3.14Å; K506-E510 PolarHBondContact O-N 3.32Å; V507-E510 PolarHBondContact O-N 2.99Å; E510-E513 PolarHBondContact O-N 2.94Å; E510-L514 VanDerWaalsContact O-CD1 3.32Å; E510-L514 WeakPolarHBondContact O-CD1 3.37Å; E510-L514 WeakPolarHBondContact O-CG 3.26Å; E510-L514 PolarHBondContact O-N 3.25Å; E510-L514 VanDerWaalsContact O-N 3.12Å
511A96.7Very high94.4Very high0 Ų048.5 Ų48.50%024%0.241CC..Hα-helixtrans-62.7-46.6176.300000112S474 K477 V478 V507 F508 H509 E513 L514 D515 A521S474-A511 PolarHBondContact OG-O 2.66Å; K477-A511 HydrophobicContact CB-CB 3.66Å; V478-A511 HydrophobicContact CG2-CB 3.93Å; V507-A511 PolarHBondContact O-N 3.2Å; F508-A511 WeakPolarHBondContact O-CB 3.27Å; F508-A511 PolarHBondContact O-N 3.43Å; H509-A511 PolarHBondContact O-N 2.73Å; A511-E513 VanDerWaalsContact C-N 3.35Å; A511-E513 PolarHBondContact O-N 3.1Å; A511-L514 PolarHBondContact O-N 3.18Å; A511-D515 PolarHBondContact O-N 3.17Å; A511-A521 HydrophobicContact CB-CB 4Å
512V96.9Very high95.1Very high12 Ų1247.6 Ų47.67%0.07323%0.232CC..Hα-helixtrans-64.3-37.8177.6169.50000112F508 H509 L514 D515 T516 A521 E522 L525F508-V512 PolarHBondContact O-N 3.49Å; H509-V512 PolarHBondContact O-N 2.77Å; V512-L514 VanDerWaalsContact C-N 3.29Å; V512-L514 PolarHBondContact O-N 3.2Å; V512-D515 CarbonylContact O-C 3.31Å; V512-D515 VanDerWaalsContact O-C 3.29Å; V512-T516 WeakPolarHBondContact O-CA 3.27Å; V512-T516 PolarHBondContact O-N 3.12Å; V512-A521 HydrophobicContact CG2-CB 3.82Å; V512-E522 HydrophobicContact CG1-CG 4.43Å; V512-E522 WeakPolarHBondContact CG1-OE1 3.49Å; V512-E522 HydrophobicContact CG2-CG 4.08Å; V512-L525 HydrophobicContact CB-CD2 4.5Å; V512-L525 HydrophobicContact CG2-CD2 3.83Å
513E96.6Very high95.4Very high154 Ų15440.9 Ų40.972%0.7220%0.203SC*.Hα-helixtrans-66-31.7175.8-73-179176.600112.7H509 E510 A511H509-E513 WeakPolarHBondContact O-CG 3.49Å; H509-E513 PolarHBondContact O-N 3.05Å; E510-E513 PolarHBondContact O-N 2.94Å; A511-E513 VanDerWaalsContact C-N 3.35Å; A511-E513 PolarHBondContact O-N 3.1Å
514L95.8Very high95.6Very high60 Ų6038.1 Ų38.131%0.31419%0.188SC..Hα-helixtrans-73.9-40.8178.4-71.8162.5000112.5F464 K473 K477 E510 A511 V512F464-L514 HydrophobicContact CE2-CD1 3.81Å; K473-L514 HydrophobicContact CB-CD1 4.13Å; K473-L514 HydrophobicContact CB-CD2 4.39Å; K477-L514 HydrophobicContact CG-CD1 3.82Å; E510-L514 VanDerWaalsContact O-CD1 3.32Å; E510-L514 WeakPolarHBondContact O-CD1 3.37Å; E510-L514 WeakPolarHBondContact O-CG 3.26Å; E510-L514 PolarHBondContact O-N 3.25Å; E510-L514 VanDerWaalsContact O-N 3.12Å; A511-L514 PolarHBondContact O-N 3.18Å; V512-L514 VanDerWaalsContact C-N 3.29Å; V512-L514 PolarHBondContact O-N 3.2Å
515D94.8Very high95.8Very high27 Ų2738.1 Ų38.114%0.14419%0.188CC..  trans-138.996.8175.5-1741.7000110.9H471 A511 V512 N517 D518H471-D515 IonicContact CE1-OD2 2.78Å; H471-D515 IonicContact CG-OD2 3.44Å; H471-D515 IonicContact ND1-OD2 3.29Å; H471-D515 PolarHBondContact ND1-OD2 3.4Å; A511-D515 PolarHBondContact O-N 3.17Å; V512-D515 CarbonylContact O-C 3.31Å; V512-D515 VanDerWaalsContact O-C 3.29Å; D515-N517 PolarHBondContact O-N 3.49Å; D515-N517 VanDerWaalsContact O-N 3.11Å; D515-N517 PolarHBondContact OD1-N 3.23Å; D515-N517 VanDerWaalsContact OD1-N 3.1Å; D515-D518 HydrophobicContact CB-CB 3.98Å; D515-D518 WeakPolarHBondContact O-CB 3.43Å; D515-D518 PolarHBondContact O-N 2.84Å; D515-D518 VanDerWaalsContact O-N 3.09Å
516T94.8Very high95.8Very high70 Ų7036.9 Ų36.943%0.42918%0.182SC..THydrogen-bonded Turntrans-68-10.5-178.359.60000114.1V512V512-T516 WeakPolarHBondContact O-CA 3.27Å; V512-T516 PolarHBondContact O-N 3.12Å
517N93.9Very high95.8Very high117 Ų11730.8 Ų30.863%0.62616%0.155SC*.THydrogen-bonded Turntrans-100.7-1.3177.7-61.4-39.1000112.2D515 Y519D515-N517 PolarHBondContact O-N 3.49Å; D515-N517 VanDerWaalsContact O-N 3.11Å; D515-N517 PolarHBondContact OD1-N 3.23Å; D515-N517 VanDerWaalsContact OD1-N 3.1Å; N517-Y519 PolarHBondContact O-N 2.75Å; N517-Y519 VanDerWaalsContact O-N 3.11Å
518D93.3Very high95.7Very high3 Ų330.4 Ų30.42%0.01615%0.152CC..  trans-79.696.2179.4-166.72.6000110.7S474 R475 D515 L520 A521 E522S474-D518 PolarHBondContact OG-OD2 3.25Å; R475-D518 VanDerWaalsContact CD-OD2 3.3Å; R475-D518 WeakPolarHBondContact CD-OD2 3.42Å; R475-D518 IonicContact CZ-OD1 2.78Å; R475-D518 VanDerWaalsContact CZ-OD1 3.28Å; R475-D518 IonicContact CZ-OD2 3.28Å; R475-D518 IonicContact NE-OD1 3.28Å; R475-D518 PolarHBondContact NE-OD1 2.9Å; R475-D518 IonicContact NE-OD2 2.91Å; R475-D518 PolarHBondContact NE-OD2 2.91Å; R475-D518 IonicContact NH2-OD1 2.86Å; R475-D518 PolarHBondContact NH2-OD1 3.11Å; D515-D518 HydrophobicContact CB-CB 3.98Å; D515-D518 WeakPolarHBondContact O-CB 3.43Å; D515-D518 PolarHBondContact O-N 2.84Å; D515-D518 VanDerWaalsContact O-N 3.09Å; D518-L520 PolarHBondContact O-N 3.4Å; D518-L520 VanDerWaalsContact O-N 3.1Å; D518-L520 PolarHBondContact OD1-N 3.16Å; D518-A521 HydrophobicContact CB-CB 4.08Å; D518-A521 PolarHBondContact O-N 3.1Å; D518-A521 VanDerWaalsContact O-N 3.12Å; D518-E522 PolarHBondContact O-N 3.37Å
519Y93.7Very high95.6Very high47 Ų4731.5 Ų31.518%0.18416%0.157CC..Hα-helixtrans-54.8-32.5178.583.3-90.6000112.1N517 E522 F523 S545 C549 Q552N517-Y519 PolarHBondContact O-N 2.75Å; N517-Y519 VanDerWaalsContact O-N 3.11Å; Y519-E522 PolarHBondContact O-N 3.08Å; Y519-F523 VanDerWaalsContact O-CB 3.27Å; Y519-F523 WeakPolarHBondContact O-CB 3.49Å; Y519-F523 PolarHBondContact O-N 3.14Å; Y519-S545 PolarHBondContact O-OG 2.8Å; Y519-C549 HydrophobicContact CD1-CB 4.05Å; Y519-C549 HydrophobicContact CD2-CB 4.24Å; Y519-C549 HydrophobicContact CG-CB 3.83Å; Y519-Q552 HydrophobicContact CD2-CG 4.34Å; Y519-Q552 HydrophobicContact CE2-CG 3.89Å
520L93.6Very high95.4Very high1 Ų128.8 Ų28.81%0.00514%0.144CC..Hα-helixtrans-72.9-33.1-176-165.566.8000111.7V478 D518 F523 Y524 M867 L869V478-L520 HydrophobicContact CG1-CD2 4.39Å; V478-L520 HydrophobicContact CG1-CG 4.48Å; D518-L520 PolarHBondContact O-N 3.4Å; D518-L520 VanDerWaalsContact O-N 3.1Å; D518-L520 PolarHBondContact OD1-N 3.16Å; L520-F523 HydrophobicContact CD1-CD1 4.25Å; L520-Y524 HydrophobicContact CD1-CD2 3.96Å; L520-Y524 HydrophobicContact CD1-CE2 3.45Å; L520-Y524 VanDerWaalsContact CD1-CE2 3.45Å; L520-Y524 HydrophobicContact CD2-CE2 4.06Å; L520-Y524 HydrophobicContact CG-CD2 3.77Å; L520-Y524 HydrophobicContact CG-CE2 3.58Å; L520-Y524 VanDerWaalsContact O-CD2 3.23Å; L520-Y524 WeakPolarHBondContact O-CD2 3.39Å; L520-Y524 PolarHBondContact O-N 3.38Å; L520-M867 HydrophobicContact CD2-CE 4.46Å; L520-M867 HydrophobicContact CD2-CG 3.99Å; L520-L869 HydrophobicContact CD1-CD1 4.08Å
521A95.5Very high95Very high0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-66.2-46173.600000110.7V478 A511 V512 D518 Y524 L525V478-A521 HydrophobicContact CG2-CB 3.73Å; A511-A521 HydrophobicContact CB-CB 4Å; V512-A521 HydrophobicContact CG2-CB 3.82Å; D518-A521 HydrophobicContact CB-CB 4.08Å; D518-A521 PolarHBondContact O-N 3.1Å; D518-A521 VanDerWaalsContact O-N 3.12Å; A521-Y524 PolarHBondContact O-N 3.34Å; A521-L525 VanDerWaalsContact O-CB 3.31Å; A521-L525 WeakPolarHBondContact O-CB 3.39Å; A521-L525 PolarHBondContact O-N 3.02Å
522E96.5Very high94.6Very high0 Ų029.9 Ų29.90%016%0.157CC..Hα-helixtrans-62.8-42.3174.9-71.5-73.2-173.700112.1V512 D518 Y519 L525 A526 H541 R544 L548V512-E522 HydrophobicContact CG1-CG 4.43Å; V512-E522 WeakPolarHBondContact CG1-OE1 3.49Å; V512-E522 HydrophobicContact CG2-CG 4.08Å; D518-E522 PolarHBondContact O-N 3.37Å; Y519-E522 PolarHBondContact O-N 3.08Å; E522-L525 PolarHBondContact O-N 2.97Å; E522-A526 WeakPolarHBondContact O-CB 3.3Å; E522-A526 PolarHBondContact O-N 3.32Å; E522-H541 IonicContact OE2-CE1 2.77Å; E522-H541 IonicContact OE2-CG 3.42Å; E522-H541 IonicContact OE2-ND1 3.49Å; E522-H541 PolarHBondContact OE2-ND1 3.27Å; E522-R544 HydrophobicContact CG-CG 4.25Å; E522-R544 WeakPolarHBondContact OE1-CD 3.08Å; E522-R544 IonicContact OE1-CZ 3.71Å; E522-R544 IonicContact OE1-NE 3.53Å; E522-R544 PolarHBondContact OE1-NE 3.46Å; E522-R544 IonicContact OE1-NH1 3.71Å; E522-R544 PolarHBondContact OE1-NH1 2.89Å; E522-R544 VanDerWaalsContact OE1-NH1 3.14Å; E522-R544 IonicContact OE1-NH2 2.84Å; E522-L548 HydrophobicContact CG-CD1 4.13Å
523F96.1Very high94.3Very high1 Ų131.7 Ų31.70%0.00416%0.162CC..Hα-helixtrans-58.8-49.6177174.5-105.3000112Y519 L520 A526 L527 S545 N554 T555 L558 I863 L869Y519-F523 VanDerWaalsContact O-CB 3.27Å; Y519-F523 WeakPolarHBondContact O-CB 3.49Å; Y519-F523 PolarHBondContact O-N 3.14Å; L520-F523 HydrophobicContact CD1-CD1 4.25Å; F523-A526 WeakPolarHBondContact O-CB 3.49Å; F523-A526 PolarHBondContact O-N 3Å; F523-L527 PolarHBondContact O-N 3.44Å; F523-S545 WeakPolarHBondContact CB-OG 3.29Å; F523-N554 HydrophobicContact CE2-CB 4.17Å; F523-N554 WeakPolarHBondContact CE2-O 3.48Å; F523-N554 HydrophobicContact CZ-CB 3.94Å; F523-T555 HydrophobicContact CD2-CG2 4.47Å; F523-L558 HydrophobicContact CD2-CD2 4.14Å; F523-L558 HydrophobicContact CE2-CB 4.05Å; F523-L558 HydrophobicContact CE2-CD2 3.89Å; F523-I863 HydrophobicContact CE1-CG2 4.33Å; F523-I863 HydrophobicContact CZ-CG2 3.85Å; F523-L869 HydrophobicContact CD1-CD1 4.44Å; F523-L869 HydrophobicContact CE1-CD1 3.99Å
524Y95.6Very high94.1Very high0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-72.9-32.1-178.9-77.6-55.4000113.3V478 L482 F508 L520 A521 A526 L527 E528 V866V478-Y524 HydrophobicContact CG1-CD2 3.72Å; V478-Y524 HydrophobicContact CG1-CE2 4.24Å; L482-Y524 HydrophobicContact CD1-CD2 4.26Å; L482-Y524 HydrophobicContact CD1-CE2 3.9Å; L482-Y524 HydrophobicContact CD2-CD1 3.53Å; L482-Y524 HydrophobicContact CD2-CD2 3.98Å; L482-Y524 HydrophobicContact CD2-CE1 3.48Å; L482-Y524 VanDerWaalsContact CD2-CE1 3.48Å; L482-Y524 HydrophobicContact CD2-CE2 3.9Å; L482-Y524 HydrophobicContact CD2-CG 3.81Å; L482-Y524 HydrophobicContact CG-CD2 4.33Å; L482-Y524 HydrophobicContact CG-CE2 4.34Å; L482-Y524 HydrophobicContact CG-CG 4.48Å; F508-Y524 VanDerWaalsContact CE1-CB 3.42Å; F508-Y524 HydrophobicContact CE1-CG 4.2Å; F508-Y524 HydrophobicContact CZ-CG 4.37Å; L520-Y524 HydrophobicContact CD1-CD2 3.96Å; L520-Y524 HydrophobicContact CD1-CE2 3.45Å; L520-Y524 VanDerWaalsContact CD1-CE2 3.45Å; L520-Y524 HydrophobicContact CD2-CE2 4.06Å; L520-Y524 HydrophobicContact CG-CD2 3.77Å; L520-Y524 HydrophobicContact CG-CE2 3.58Å; L520-Y524 VanDerWaalsContact O-CD2 3.23Å; L520-Y524 WeakPolarHBondContact O-CD2 3.39Å; L520-Y524 PolarHBondContact O-N 3.38Å; A521-Y524 PolarHBondContact O-N 3.34Å; Y524-A526 VanDerWaalsContact C-N 3.33Å; Y524-L527 HydrophobicContact CD1-CD2 3.95Å; Y524-L527 HydrophobicContact CE1-CD2 4.06Å; Y524-L527 PolarHBondContact O-N 3.39Å; Y524-E528 WeakPolarHBondContact O-CG 2.95Å; Y524-E528 PolarHBondContact O-N 2.85Å; Y524-V866 PolarHBondContact OH-N 3.45Å; Y524-V866 PolarHBondContact OH-O 3.43Å
525L96.7Very high94Very high0 Ų024.8 Ų24.80%013%0.131CC..Hα-helixtrans-60.6-45.1169.6-177.156000111.2L505 F508 V512 A521 E522 E528 Y529 H541L505-L525 HydrophobicContact CD2-CD1 4.12Å; F508-L525 HydrophobicContact CB-CB 4.01Å; F508-L525 HydrophobicContact CB-CD1 3.75Å; F508-L525 HydrophobicContact CB-CG 4.42Å; V512-L525 HydrophobicContact CB-CD2 4.5Å; V512-L525 HydrophobicContact CG2-CD2 3.83Å; A521-L525 VanDerWaalsContact O-CB 3.31Å; A521-L525 WeakPolarHBondContact O-CB 3.39Å; A521-L525 PolarHBondContact O-N 3.02Å; E522-L525 PolarHBondContact O-N 2.97Å; L525-E528 PolarHBondContact O-N 3.47Å; L525-Y529 HydrophobicContact CD1-CD2 3.96Å; L525-Y529 HydrophobicContact CD1-CE2 3.65Å; L525-Y529 HydrophobicContact CG-CD2 4.04Å; L525-Y529 HydrophobicContact CG-CE2 3.91Å; L525-Y529 VanDerWaalsContact O-CD2 3.26Å; L525-Y529 WeakPolarHBondContact O-CD2 3.31Å; L525-Y529 PolarHBondContact O-N 2.89Å; L525-H541 WeakPolarHBondContact CD2-CE1 3.34Å; L525-H541 WeakPolarHBondContact CD2-ND1 3.48Å
526A96.9Very high94Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-60.9-44.1174.800000112.2E522 F523 Y524 Y529 A530 A538 H541 C542 L558E522-A526 WeakPolarHBondContact O-CB 3.3Å; E522-A526 PolarHBondContact O-N 3.32Å; F523-A526 WeakPolarHBondContact O-CB 3.49Å; F523-A526 PolarHBondContact O-N 3Å; Y524-A526 VanDerWaalsContact C-N 3.33Å; A526-Y529 PolarHBondContact O-N 3.01Å; A526-A530 WeakPolarHBondContact O-CB 3.26Å; A526-A530 PolarHBondContact O-N 3.49Å; A526-A538 WeakPolarHBondContact CB-O 3.42Å; A526-H541 HydrophobicContact CB-CB 3.75Å; A526-C542 HydrophobicContact CB-CB 3.88Å; A526-L558 HydrophobicContact CB-CD2 3.96Å
527L95.1Very high94Very high1 Ų132.2 Ų32.21%0.00516%0.158CC..Hα-helixtrans-62.4-44.6178.4-177.962000111.8F523 Y524 Y529 A530 L531 L558 F860 I863 R865F523-L527 PolarHBondContact O-N 3.44Å; Y524-L527 HydrophobicContact CD1-CD2 3.95Å; Y524-L527 HydrophobicContact CE1-CD2 4.06Å; Y524-L527 PolarHBondContact O-N 3.39Å; L527-Y529 VanDerWaalsContact C-N 3.35Å; L527-Y529 PolarHBondContact O-N 3.32Å; L527-A530 WeakPolarHBondContact O-CB 3.46Å; L527-A530 PolarHBondContact O-N 3.26Å; L527-L531 HydrophobicContact CG-CD1 4.34Å; L527-L531 WeakPolarHBondContact O-CG 3.36Å; L527-L531 PolarHBondContact O-N 3.12Å; L527-L558 HydrophobicContact CB-CD2 4.19Å; L527-L558 HydrophobicContact CD1-CD1 4.06Å; L527-F860 HydrophobicContact CD1-CB 4.44Å; L527-I863 HydrophobicContact CD1-CB 4.01Å; L527-I863 HydrophobicContact CD1-CD1 3.84Å; L527-I863 HydrophobicContact CD1-CG1 4.47Å; L527-I863 HydrophobicContact CD1-CG2 4.25Å; L527-I863 HydrophobicContact CD2-CB 4.26Å; L527-I863 HydrophobicContact CD2-CG2 3.81Å; L527-R865 HydrophobicContact CD2-CG 4Å
528E94.1Very high94.2Very high9 Ų926.7 Ų26.74%0.04213%0.128CC..Hα-helixtrans-64.1-39.4176.3-73.4-50.5131.800112.3S485 A504 L505 F508 Y524 L525 A530 L531 S532S485-E528 WeakPolarHBondContact CB-OE1 3.35Å; S485-E528 VanDerWaalsContact OG-CD 3.27Å; S485-E528 PolarHBondContact OG-OE1 2.95Å; S485-E528 PolarHBondContact OG-OE2 2.77Å; A504-E528 HydrophobicContact CB-CG 4.5Å; L505-E528 HydrophobicContact CD2-CB 3.54Å; L505-E528 HydrophobicContact CG-CB 4.15Å; F508-E528 HydrophobicContact CD2-CB 4.35Å; F508-E528 HydrophobicContact CD2-CG 3.48Å; F508-E528 VanDerWaalsContact CD2-CG 3.48Å; F508-E528 HydrophobicContact CE2-CG 3.29Å; F508-E528 HydrophobicContact CZ-CG 4.39Å; Y524-E528 WeakPolarHBondContact O-CG 2.95Å; Y524-E528 PolarHBondContact O-N 2.85Å; L525-E528 PolarHBondContact O-N 3.47Å; E528-A530 VanDerWaalsContact C-N 3.31Å; E528-A530 PolarHBondContact O-N 2.94Å; E528-L531 PolarHBondContact O-N 3.37Å; E528-S532 WeakPolarHBondContact O-CB 3.47Å; E528-S532 PolarHBondContact O-N 3.04Å; E528-S532 PolarHBondContact O-OG 3.44Å
529Y95.6Very high94.3Very high24 Ų2427.6 Ų27.69%0.09413%0.133CC..Hα-helixtrans-62.4-40.9172.8-83.6-57000111.8L505 H509 L525 A526 L527 S532 R533 D534 K537 H541L505-Y529 HydrophobicContact CD1-CD1 4.44Å; L505-Y529 HydrophobicContact CD1-CE1 4.35Å; L505-Y529 HydrophobicContact CD2-CD1 3.79Å; L505-Y529 HydrophobicContact CD2-CD2 4.13Å; L505-Y529 HydrophobicContact CD2-CE1 3.91Å; L505-Y529 HydrophobicContact CD2-CE2 4.27Å; L505-Y529 HydrophobicContact CD2-CG 3.91Å; H509-Y529 AromaticContact CE1-CE2 3.79Å; H509-Y529 AromaticContact CE1-CZ 3.9Å; H509-Y529 PolarHBondContact CE1-OH 3Å; H509-Y529 VanDerWaalsContact CE1-OH 3.22Å; H509-Y529 AromaticContact NE2-CE2 3.68Å; H509-Y529 AromaticContact NE2-CZ 3.45Å; H509-Y529 PolarHBondContact NE2-OH 2.94Å; L525-Y529 HydrophobicContact CD1-CD2 3.96Å; L525-Y529 HydrophobicContact CD1-CE2 3.65Å; L525-Y529 HydrophobicContact CG-CD2 4.04Å; L525-Y529 HydrophobicContact CG-CE2 3.91Å; L525-Y529 VanDerWaalsContact O-CD2 3.26Å; L525-Y529 WeakPolarHBondContact O-CD2 3.31Å; L525-Y529 PolarHBondContact O-N 2.89Å; A526-Y529 PolarHBondContact O-N 3.01Å; L527-Y529 VanDerWaalsContact C-N 3.35Å; L527-Y529 PolarHBondContact O-N 3.32Å; Y529-S532 WeakPolarHBondContact CA-OG 3.43Å; Y529-S532 CarbonylContact O-C 3.59Å; Y529-S532 PolarHBondContact O-N 3.36Å; Y529-S532 PolarHBondContact O-OG 3.36Å; Y529-R533 PolarHBondContact O-N 2.94Å; Y529-D534 HydrophobicContact CD1-CB 4.01Å; Y529-D534 PolarHBondContact O-N 3.14Å; Y529-K537 HydrophobicContact CD1-CB 4.16Å; Y529-K537 HydrophobicContact CD1-CD 4.39Å; Y529-K537 HydrophobicContact CD2-CB 4.01Å; Y529-K537 HydrophobicContact CE1-CB 4.23Å; Y529-K537 HydrophobicContact CE1-CD 3.73Å; Y529-K537 HydrophobicContact CE2-CB 4.05Å; Y529-K537 HydrophobicContact CE2-CD 4.29Å; Y529-K537 HydrophobicContact CG-CB 4.04Å; Y529-K537 WeakPolarHBondContact OH-CD 3.37Å; Y529-H541 AromaticContact CD2-CD2 3.75Å; Y529-H541 AromaticContact CE2-CD2 3.59Å; Y529-H541 AromaticContact CE2-NE2 3.68Å
530A93.6Very high94.5Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-62-44175.600000111.6A526 L527 E528 S532 R533 A538 L558 L562 F860A526-A530 WeakPolarHBondContact O-CB 3.26Å; A526-A530 PolarHBondContact O-N 3.49Å; L527-A530 WeakPolarHBondContact O-CB 3.46Å; L527-A530 PolarHBondContact O-N 3.26Å; E528-A530 VanDerWaalsContact C-N 3.31Å; E528-A530 PolarHBondContact O-N 2.94Å; A530-S532 VanDerWaalsContact C-N 3.3Å; A530-S532 PolarHBondContact O-N 2.93Å; A530-R533 PolarHBondContact O-N 3.06Å; A530-A538 HydrophobicContact CB-CB 4.06Å; A530-L558 HydrophobicContact CB-CD1 4.14Å; A530-L562 HydrophobicContact CB-CD2 4Å; A530-F860 VanDerWaalsContact C-CD2 3.45Å; A530-F860 HydrophobicContact CB-CB 4.38Å; A530-F860 HydrophobicContact CB-CD1 3.94Å; A530-F860 HydrophobicContact CB-CD2 3.65Å; A530-F860 HydrophobicContact CB-CE1 4.09Å; A530-F860 HydrophobicContact CB-CE2 3.82Å; A530-F860 HydrophobicContact CB-CG 3.75Å; A530-F860 HydrophobicContact CB-CZ 4.06Å; A530-F860 WeakPolarHBondContact O-CD2 3.07Å; A530-F860 WeakPolarHBondContact O-CE2 3.47Å
531L89.6Confident94.7Very high43 Ų4332.7 Ų32.723%0.22516%0.158CC..Hα-helixtrans-62.1-36.8174-70.2171.7000112L527 E528 R533 F860L527-L531 HydrophobicContact CG-CD1 4.34Å; L527-L531 WeakPolarHBondContact O-CG 3.36Å; L527-L531 PolarHBondContact O-N 3.12Å; E528-L531 PolarHBondContact O-N 3.37Å; L531-R533 PolarHBondContact O-N 3.26Å; L531-F860 HydrophobicContact CD2-CB 3.97Å; L531-F860 HydrophobicContact CG-CB 4.5Å
532S88.9Confident94.7Very high58 Ų5832.7 Ų32.741%0.40616%0.158SC..THydrogen-bonded Turntrans-76.4-5.3174.679.50000114.7E528 Y529 A530 D534E528-S532 WeakPolarHBondContact O-CB 3.47Å; E528-S532 PolarHBondContact O-N 3.04Å; E528-S532 PolarHBondContact O-OG 3.44Å; Y529-S532 WeakPolarHBondContact CA-OG 3.43Å; Y529-S532 CarbonylContact O-C 3.59Å; Y529-S532 PolarHBondContact O-N 3.36Å; Y529-S532 PolarHBondContact O-OG 3.36Å; A530-S532 VanDerWaalsContact C-N 3.3Å; A530-S532 PolarHBondContact O-N 2.93Å; S532-D534 VanDerWaalsContact C-N 3.33Å
533R89.7Confident94.8Very high50 Ų5037.8 Ų37.819%0.18918%0.177CC..THydrogen-bonded Turntrans66.819.7-176.6-52.2-63.1-174.4-161.31.2116Y529 A530 L531 L535 M820 I854Y529-R533 PolarHBondContact O-N 2.94Å; A530-R533 PolarHBondContact O-N 3.06Å; L531-R533 PolarHBondContact O-N 3.26Å; R533-L535 PolarHBondContact O-N 2.73Å; R533-M820 HydrophobicContact CG-CE 4.29Å; R533-M820 HydrophobicContact CG-SD 3.94Å; R533-I854 HydrophobicContact CB-CD1 3.76Å; R533-I854 HydrophobicContact CG-CD1 4.02Å
534D92.2Very high94.8Very high47 Ų4742.4 Ų42.425%0.25120%0.195SC..  trans-86.379.1168.9-169-16000109.7Y529 S532 Q536 K537 A538Y529-D534 HydrophobicContact CD1-CB 4.01Å; Y529-D534 PolarHBondContact O-N 3.14Å; S532-D534 VanDerWaalsContact C-N 3.33Å; D534-Q536 VanDerWaalsContact C-N 3.27Å; D534-Q536 PolarHBondContact O-N 3.42Å; D534-K537 WeakPolarHBondContact OD2-CD 3.49Å; D534-K537 WeakPolarHBondContact OD2-CE 3.28Å; D534-K537 IonicContact OD2-NZ 2.72Å; D534-K537 PolarHBondContact OD2-NZ 2.93Å; D534-A538 VanDerWaalsContact O-CB 3.3Å; D534-A538 WeakPolarHBondContact O-CB 3.4Å; D534-A538 PolarHBondContact O-N 2.73Å
535L93.7Very high94.8Very high23 Ų2342.4 Ų42.412%0.1220%0.195CC..Hα-helixtrans-63.3-31.4-171.6-59.3-177.3000113.4R533 E539 L562 A565 K566 I854 F860R533-L535 PolarHBondContact O-N 2.73Å; L535-E539 WeakPolarHBondContact O-CB 3.07Å; L535-E539 PolarHBondContact O-N 2.89Å; L535-L562 HydrophobicContact CD2-CD2 3.97Å; L535-A565 HydrophobicContact CD1-CB 3.87Å; L535-A565 HydrophobicContact CD2-CB 4Å; L535-K566 HydrophobicContact CD1-CG 4.45Å; L535-I854 HydrophobicContact CD1-CB 4.01Å; L535-I854 HydrophobicContact CD1-CG2 3.96Å; L535-F860 HydrophobicContact CD2-CE2 4.11Å; L535-F860 HydrophobicContact CD2-CZ 4.07Å
536Q94.7Very high94.7Very high165 Ų16546.8 Ų46.877%0.77121%0.211SC*.Hα-helixtrans-66.4-50.7-177.1-68.9-177.4-9.600111D534 E539 E540D534-Q536 VanDerWaalsContact C-N 3.27Å; D534-Q536 PolarHBondContact O-N 3.42Å; Q536-E539 PolarHBondContact O-N 3.3Å; Q536-E540 PolarHBondContact O-N 3.12Å
537K96.1Very high94.6Very high88 Ų8853.8 Ų53.838%0.38324%0.244SC..Hα-helixtrans-71.4-35.5177.4-64.2-174.2-163.6129.10112.2Y529 D534 E539 E540 H541Y529-K537 HydrophobicContact CD1-CB 4.16Å; Y529-K537 HydrophobicContact CD1-CD 4.39Å; Y529-K537 HydrophobicContact CD2-CB 4.01Å; Y529-K537 HydrophobicContact CE1-CB 4.23Å; Y529-K537 HydrophobicContact CE1-CD 3.73Å; Y529-K537 HydrophobicContact CE2-CB 4.05Å; Y529-K537 HydrophobicContact CE2-CD 4.29Å; Y529-K537 HydrophobicContact CG-CB 4.04Å; Y529-K537 WeakPolarHBondContact OH-CD 3.37Å; D534-K537 WeakPolarHBondContact OD2-CD 3.49Å; D534-K537 WeakPolarHBondContact OD2-CE 3.28Å; D534-K537 IonicContact OD2-NZ 2.72Å; D534-K537 PolarHBondContact OD2-NZ 2.93Å; K537-E539 VanDerWaalsContact C-N 3.29Å; K537-E539 PolarHBondContact O-N 3.44Å; K537-E540 PolarHBondContact O-N 2.9Å; K537-H541 PolarHBondContact O-CD2 2.91Å; K537-H541 PolarHBondContact O-N 3.18Å
538A96.5Very high94.7Very high0 Ų056.8 Ų56.80%026%0.26CS..Hα-helixtrans-56.6-45.7175.100000111.1A526 A530 D534 C542 L562A526-A538 WeakPolarHBondContact CB-O 3.42Å; A530-A538 HydrophobicContact CB-CB 4.06Å; D534-A538 VanDerWaalsContact O-CB 3.3Å; D534-A538 WeakPolarHBondContact O-CB 3.4Å; D534-A538 PolarHBondContact O-N 2.73Å; A538-C542 WeakPolarHBondContact O-CB 3.48Å; A538-C542 PolarHBondContact O-N 3.39Å; A538-L562 HydrophobicContact CB-CD1 4.09Å; A538-L562 HydrophobicContact CB-CD2 3.65Å
539E96.5Very high94.6Very high22 Ų2257.8 Ų57.810%0.10327%0.267CS..Hα-helixtrans-66.8-41.5178.1-171.9-177.8170.900112.7L535 Q536 K537 C542 R543 L559 L562 K566L535-E539 WeakPolarHBondContact O-CB 3.07Å; L535-E539 PolarHBondContact O-N 2.89Å; Q536-E539 PolarHBondContact O-N 3.3Å; K537-E539 VanDerWaalsContact C-N 3.29Å; K537-E539 PolarHBondContact O-N 3.44Å; E539-C542 PolarHBondContact O-N 2.88Å; E539-R543 HydrophobicContact CG-CG 4.31Å; E539-R543 WeakPolarHBondContact O-CB 3.38Å; E539-R543 WeakPolarHBondContact O-CG 3.42Å; E539-R543 PolarHBondContact O-N 3.33Å; E539-R543 IonicContact OE1-CZ 2.74Å; E539-R543 VanDerWaalsContact OE1-CZ 3.28Å; E539-R543 IonicContact OE1-NE 3.33Å; E539-R543 PolarHBondContact OE1-NE 3.35Å; E539-R543 IonicContact OE1-NH2 3.9Å; E539-R543 PolarHBondContact OE1-NH2 3.16Å; E539-L559 HydrophobicContact CG-CD1 4.24Å; E539-L562 HydrophobicContact CB-CD1 4.47Å; E539-K566 IonicContact OE1-NZ 2.82Å; E539-K566 WeakPolarHBondContact OE2-CD 3.38Å; E539-K566 IonicContact OE2-NZ 3.67Å; E539-K566 PolarHBondContact OE2-NZ 3.42Å
540E97.2Very high94.2Very high133 Ų13360.2 Ų60.262%0.62129%0.286SS*.Hα-helixtrans-57-53177.5-176.1179.2177.400111.5Q536 K537 R543 R544Q536-E540 PolarHBondContact O-N 3.12Å; K537-E540 PolarHBondContact O-N 2.9Å; E540-R543 PolarHBondContact O-N 3.34Å; E540-R544 PolarHBondContact O-N 2.99Å
541H97.4Very high94Very high23 Ų2365.2 Ų65.211%0.10631%0.313CS..Hα-helixtrans-67.6-35.9178.1-72-69.8000112.2H509 E522 L525 A526 Y529 K537 R544 S545H509-H541 AromaticContact CE1-NE2 3.98Å; E522-H541 IonicContact OE2-CE1 2.77Å; E522-H541 IonicContact OE2-CG 3.42Å; E522-H541 IonicContact OE2-ND1 3.49Å; E522-H541 PolarHBondContact OE2-ND1 3.27Å; L525-H541 WeakPolarHBondContact CD2-CE1 3.34Å; L525-H541 WeakPolarHBondContact CD2-ND1 3.48Å; A526-H541 HydrophobicContact CB-CB 3.75Å; Y529-H541 AromaticContact CD2-CD2 3.75Å; Y529-H541 AromaticContact CE2-CD2 3.59Å; Y529-H541 AromaticContact CE2-NE2 3.68Å; K537-H541 PolarHBondContact O-CD2 2.91Å; K537-H541 PolarHBondContact O-N 3.18Å; H541-R544 PolarHBondContact O-N 3.4Å; H541-S545 PolarHBondContact O-N 3.33Å
542C96.9Very high93.9Very high0 Ų064.2 Ų64.20%031%0.307CS..Hα-helixtrans-65.5-43.2177.4-168.20000111.7A526 A538 E539 R544 S545 W546 L562A526-C542 HydrophobicContact CB-CB 3.88Å; A538-C542 WeakPolarHBondContact O-CB 3.48Å; A538-C542 PolarHBondContact O-N 3.39Å; E539-C542 PolarHBondContact O-N 2.88Å; C542-R544 VanDerWaalsContact C-N 3.3Å; C542-R544 PolarHBondContact O-N 3.2Å; C542-S545 WeakPolarHBondContact O-CB 3.38Å; C542-S545 PolarHBondContact O-N 3.03Å; C542-W546 WeakPolarHBondContact O-CB 3.34Å; C542-W546 PolarHBondContact O-N 3.37Å; C542-L562 HydrophobicContact CB-CD1 3.85Å
543R96.8Very high93.9Very high107 Ų10761.9 Ų61.940%0.40429%0.291SS..Hα-helixtrans-64.7-36.2175.2-75.1-178.6-178.4-1062.2111.4E539 E540 W546 Q547 L559E539-R543 HydrophobicContact CG-CG 4.31Å; E539-R543 WeakPolarHBondContact O-CB 3.38Å; E539-R543 WeakPolarHBondContact O-CG 3.42Å; E539-R543 PolarHBondContact O-N 3.33Å; E539-R543 IonicContact OE1-CZ 2.74Å; E539-R543 VanDerWaalsContact OE1-CZ 3.28Å; E539-R543 IonicContact OE1-NE 3.33Å; E539-R543 PolarHBondContact OE1-NE 3.35Å; E539-R543 IonicContact OE1-NH2 3.9Å; E539-R543 PolarHBondContact OE1-NH2 3.16Å; E540-R543 PolarHBondContact O-N 3.34Å; R543-W546 PolarHBondContact O-N 2.91Å; R543-Q547 VanDerWaalsContact O-CG 3.26Å; R543-Q547 WeakPolarHBondContact O-CG 3.31Å; R543-Q547 PolarHBondContact O-N 3.18Å; R543-L559 HydrophobicContact CG-CD1 4.19Å
544R96.7Very high93.9Very high98 Ų9860.1 Ų60.137%0.3729%0.285SS..Hα-helixtrans-65.8-45.5174.2-173.6166.2175.6-170.5-4.4112.1E522 E540 H541 C542 W546 Q547 L548E522-R544 HydrophobicContact CG-CG 4.25Å; E522-R544 WeakPolarHBondContact OE1-CD 3.08Å; E522-R544 IonicContact OE1-CZ 3.71Å; E522-R544 IonicContact OE1-NE 3.53Å; E522-R544 PolarHBondContact OE1-NE 3.46Å; E522-R544 IonicContact OE1-NH1 3.71Å; E522-R544 PolarHBondContact OE1-NH1 2.89Å; E522-R544 VanDerWaalsContact OE1-NH1 3.14Å; E522-R544 IonicContact OE1-NH2 2.84Å; E540-R544 PolarHBondContact O-N 2.99Å; H541-R544 PolarHBondContact O-N 3.4Å; C542-R544 VanDerWaalsContact C-N 3.3Å; C542-R544 PolarHBondContact O-N 3.2Å; R544-W546 VanDerWaalsContact C-N 3.27Å; R544-W546 PolarHBondContact O-N 3.42Å; R544-Q547 PolarHBondContact O-N 2.79Å; R544-L548 WeakPolarHBondContact O-CG 3.46Å; R544-L548 PolarHBondContact O-N 3Å
545S96Very high94Very high0 Ų058 Ų580%027%0.273CS..Hα-helixtrans-55.6-44.1171.7177.30000111.5Y519 F523 H541 C542 L548 C549 T555Y519-S545 PolarHBondContact O-OG 2.8Å; F523-S545 WeakPolarHBondContact CB-OG 3.29Å; H541-S545 PolarHBondContact O-N 3.33Å; C542-S545 WeakPolarHBondContact O-CB 3.38Å; C542-S545 PolarHBondContact O-N 3.03Å; S545-L548 PolarHBondContact O-N 2.85Å; S545-C549 PolarHBondContact O-N 2.96Å; S545-T555 WeakPolarHBondContact OG-CG2 3.43Å; S545-T555 PolarHBondContact OG-OG1 3.25Å
546W94.9Very high93.9Very high92 Ų9257.2 Ų57.235%0.34827%0.27SS..Hα-helixtrans-65.9-38.9179.8-17864.7000112.6C542 R543 R544 L548 C549 P550 T555C542-W546 WeakPolarHBondContact O-CB 3.34Å; C542-W546 PolarHBondContact O-N 3.37Å; R543-W546 PolarHBondContact O-N 2.91Å; R544-W546 VanDerWaalsContact C-N 3.27Å; R544-W546 PolarHBondContact O-N 3.42Å; W546-L548 VanDerWaalsContact C-N 3.32Å; W546-L548 PolarHBondContact O-N 2.73Å; W546-C549 CarbonylContact O-C 3.53Å; W546-C549 VanDerWaalsContact O-C 3.27Å; W546-C549 PolarHBondContact O-N 3.1Å; W546-P550 VanDerWaalsContact O-CA 3.31Å; W546-P550 WeakPolarHBondContact O-CA 3.4Å; W546-P550 VanDerWaalsContact O-N 3.11Å; W546-T555 HydrophobicContact CB-CG2 3.76Å
547Q95.7Very high93.9Very high146 Ų14649.6 Ų49.668%0.68223%0.234SC*.Hα-helixtrans-65.5-34.1174.1-74169.55.900112.9R543 R544R543-Q547 VanDerWaalsContact O-CG 3.26Å; R543-Q547 WeakPolarHBondContact O-CG 3.31Å; R543-Q547 PolarHBondContact O-N 3.18Å; R544-Q547 PolarHBondContact O-N 2.79Å
548L95.3Very high93.8Very high64 Ų6445.4 Ų45.434%0.33522%0.216SC..Hα-helixtrans-72.7-39.3177.5-70171.7000112E522 R544 S545 W546E522-L548 HydrophobicContact CG-CD1 4.13Å; R544-L548 WeakPolarHBondContact O-CG 3.46Å; R544-L548 PolarHBondContact O-N 3Å; S545-L548 PolarHBondContact O-N 2.85Å; W546-L548 VanDerWaalsContact C-N 3.32Å; W546-L548 PolarHBondContact O-N 2.73Å
549C92.1Very high93.8Very high30 Ų3045.8 Ų45.820%0.20322%0.218CC..  trans-145.891.7178.6-157.70000111.3Y519 S545 W546 Q552Y519-C549 HydrophobicContact CD1-CB 4.05Å; Y519-C549 HydrophobicContact CD2-CB 4.24Å; Y519-C549 HydrophobicContact CG-CB 3.83Å; S545-C549 PolarHBondContact O-N 2.96Å; W546-C549 CarbonylContact O-C 3.53Å; W546-C549 VanDerWaalsContact O-C 3.27Å; W546-C549 PolarHBondContact O-N 3.1Å; C549-Q552 HydrophobicContact CB-CG 3.91Å; C549-Q552 VanDerWaalsContact SG-CG 3.51Å
550P88.6Confident93.8Very high76 Ų7644.7 Ų44.749%0.49421%0.213SC..THydrogen-bonded Turntrans-73.4-25.1-176.726.5-33.6000113.7W546 Q552W546-P550 VanDerWaalsContact O-CA 3.31Å; W546-P550 WeakPolarHBondContact O-CA 3.4Å; W546-P550 VanDerWaalsContact O-N 3.11Å; P550-Q552 PolarHBondContact O-N 3.46Å; P550-Q552 VanDerWaalsContact O-N 3.08Å
551D88.2Confident93.7Very high105 Ų10538.4 Ų38.456%0.56118%0.183SC*.THydrogen-bonded Turntrans-72.88.1179.5-173.756000113.7P553 H583D551-P553 WeakPolarHBondContact O-CD 3.23Å; D551-H583 PolarHBondContact O-CE1 3.15Å; D551-H583 PolarHBondContact O-NE2 3.4Å; D551-H583 VanDerWaalsContact O-NE2 3.15Å; D551-H583 IonicContact OD1-CE1 2.75Å; D551-H583 PolarHBondContact OD1-CE1 3.34Å; D551-H583 IonicContact OD1-NE2 2.63Å
552Q88.4Confident93.6Very high21 Ų2137.3 Ų37.310%0.09818%0.179CC..  trans-97.9108.3-177.2-70.1-65.7-26.200111Y519 C549 P550 N554 T555 T556Y519-Q552 HydrophobicContact CD2-CG 4.34Å; Y519-Q552 HydrophobicContact CE2-CG 3.89Å; C549-Q552 HydrophobicContact CB-CG 3.91Å; C549-Q552 VanDerWaalsContact SG-CG 3.51Å; P550-Q552 PolarHBondContact O-N 3.46Å; P550-Q552 VanDerWaalsContact O-N 3.08Å; Q552-N554 VanDerWaalsContact C-N 3.26Å; Q552-N554 PolarHBondContact O-N 3.48Å; Q552-T555 PolarHBondContact O-N 3.28Å; Q552-T556 PolarHBondContact O-N 3.34Å
553P88.8Confident93.5Very high10 Ų1037.9 Ų37.97%0.06518%0.181CC..Hα-helixtrans-64.2-29.9-174.323.1-33.2000113D551 T556 F557 H583 H586 L589D551-P553 WeakPolarHBondContact O-CD 3.23Å; P553-T556 PolarHBondContact O-N 2.73Å; P553-F557 VanDerWaalsContact O-CB 3.23Å; P553-F557 WeakPolarHBondContact O-CB 2.92Å; P553-F557 PolarHBondContact O-N 3.2Å; P553-H583 HydrophobicContact CB-CB 4.37Å; P553-H586 HydrophobicContact CB-CB 4.43Å; P553-L589 HydrophobicContact CB-CD1 3.88Å
554N89.9Confident93.4Very high13 Ų1333.2 Ų33.27%0.0717%0.165CC..Hα-helixtrans-69.9-34.1-179.5-61.6-57.9000112.7F523 Q552 F557 L558 H586 L869F523-N554 HydrophobicContact CE2-CB 4.17Å; F523-N554 WeakPolarHBondContact CE2-O 3.48Å; F523-N554 HydrophobicContact CZ-CB 3.94Å; Q552-N554 VanDerWaalsContact C-N 3.26Å; Q552-N554 PolarHBondContact O-N 3.48Å; N554-F557 PolarHBondContact O-N 3.15Å; N554-L558 WeakPolarHBondContact O-CB 3.26Å; N554-L558 PolarHBondContact O-N 3.19Å; N554-H586 PolarHBondContact OD1-CE1 3.11Å; N554-L869 HydrophobicContact CB-CD1 4.43Å; N554-L869 WeakPolarHBondContact ND2-CD2 3.02Å
555T93Very high93.2Very high1 Ų128.6 Ų28.61%0.00615%0.147CC..Hα-helixtrans-67-45.4176.1-52.20000109.9F523 S545 W546 Q552 F557 L558 L559F523-T555 HydrophobicContact CD2-CG2 4.47Å; S545-T555 WeakPolarHBondContact OG-CG2 3.43Å; S545-T555 PolarHBondContact OG-OG1 3.25Å; W546-T555 HydrophobicContact CB-CG2 3.76Å; Q552-T555 PolarHBondContact O-N 3.28Å; T555-F557 VanDerWaalsContact C-N 3.32Å; T555-F557 PolarHBondContact O-N 3.14Å; T555-L558 PolarHBondContact O-N 3.07Å; T555-L559 WeakPolarHBondContact O-CB 3.5Å; T555-L559 PolarHBondContact O-N 3.37Å
556T93.3Very high93.1Very high8 Ų833 Ų335%0.04917%0.167CC..Hα-helixtrans-64.2-39.1176.4-50.30000111.6Q552 P553 L559 A560 L575 A579Q552-T556 PolarHBondContact O-N 3.34Å; P553-T556 PolarHBondContact O-N 2.73Å; T556-L559 PolarHBondContact O-N 3.01Å; T556-A560 WeakPolarHBondContact O-CB 3.44Å; T556-A560 PolarHBondContact O-N 3.26Å; T556-L575 HydrophobicContact CG2-CD1 3.77Å; T556-L575 HydrophobicContact CG2-CD2 4.02Å; T556-L575 HydrophobicContact CG2-CG 3.6Å; T556-A579 HydrophobicContact CG2-CB 3.66Å
557F93.7Very high93Very high4 Ų434 Ų342%0.01817%0.173CC..Hα-helixtrans-62.5-46.3173.8178-111.1000112.6P553 N554 T555 L559 A560 L561 A588 L589 L592 I862 I863P553-F557 VanDerWaalsContact O-CB 3.23Å; P553-F557 WeakPolarHBondContact O-CB 2.92Å; P553-F557 PolarHBondContact O-N 3.2Å; N554-F557 PolarHBondContact O-N 3.15Å; T555-F557 VanDerWaalsContact C-N 3.32Å; T555-F557 PolarHBondContact O-N 3.14Å; F557-L559 VanDerWaalsContact C-N 3.33Å; F557-L559 PolarHBondContact O-N 3.47Å; F557-A560 PolarHBondContact O-N 2.74Å; F557-L561 HydrophobicContact CD1-CD1 4.24Å; F557-L561 HydrophobicContact CE1-CD1 3.76Å; F557-L561 HydrophobicContact CE1-CG 4.48Å; F557-L561 HydrophobicContact CZ-CD1 3.92Å; F557-L561 HydrophobicContact CZ-CD2 4.5Å; F557-L561 HydrophobicContact CZ-CG 4.35Å; F557-L561 WeakPolarHBondContact O-CG 3.33Å; F557-L561 PolarHBondContact O-N 3.42Å; F557-A588 HydrophobicContact CD1-CB 4.46Å; F557-A588 HydrophobicContact CD2-CB 4.25Å; F557-A588 HydrophobicContact CE1-CB 4.11Å; F557-A588 HydrophobicContact CE2-CB 3.87Å; F557-A588 VanDerWaalsContact CE2-O 3.25Å; F557-A588 WeakPolarHBondContact CE2-O 3.37Å; F557-A588 HydrophobicContact CZ-CB 3.81Å; F557-L589 HydrophobicContact CB-CD2 3.96Å; F557-L589 HydrophobicContact CB-CG 4.39Å; F557-L589 HydrophobicContact CD2-CD2 4.1Å; F557-L589 HydrophobicContact CD2-CG 4.45Å; F557-L592 HydrophobicContact CD2-CB 4.24Å; F557-L592 HydrophobicContact CD2-CD2 3.8Å; F557-L592 HydrophobicContact CE2-CB 3.76Å; F557-L592 HydrophobicContact CE2-CD2 3.89Å; F557-L592 HydrophobicContact CE2-CG 4.43Å; F557-I862 HydrophobicContact CE1-CG2 3.73Å; F557-I862 HydrophobicContact CZ-CD1 4.24Å; F557-I862 HydrophobicContact CZ-CG2 3.82Å; F557-I863 HydrophobicContact CD1-CD1 3.92Å; F557-I863 HydrophobicContact CD1-CG1 3.71Å; F557-I863 HydrophobicContact CE1-CD1 4.11Å; F557-I863 HydrophobicContact CE1-CG1 3.54Å
558L94.8Very high92.9Very high0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-60.7-43.3174.4177.158.8000111.5F523 A526 L527 A530 N554 T555 A560 L561 L562 F860 I863F523-L558 HydrophobicContact CD2-CD2 4.14Å; F523-L558 HydrophobicContact CE2-CB 4.05Å; F523-L558 HydrophobicContact CE2-CD2 3.89Å; A526-L558 HydrophobicContact CB-CD2 3.96Å; L527-L558 HydrophobicContact CB-CD2 4.19Å; L527-L558 HydrophobicContact CD1-CD1 4.06Å; A530-L558 HydrophobicContact CB-CD1 4.14Å; N554-L558 WeakPolarHBondContact O-CB 3.26Å; N554-L558 PolarHBondContact O-N 3.19Å; T555-L558 PolarHBondContact O-N 3.07Å; L558-A560 PolarHBondContact O-N 2.94Å; L558-L561 PolarHBondContact O-N 2.66Å; L558-L562 HydrophobicContact CD1-CD1 4.43Å; L558-L562 HydrophobicContact CD1-CG 4.38Å; L558-L562 HydrophobicContact CG-CD1 4.21Å; L558-L562 WeakPolarHBondContact O-CG 3.36Å; L558-L562 PolarHBondContact O-N 3.25Å; L558-F860 HydrophobicContact CD1-CD1 3.99Å; L558-F860 HydrophobicContact CD1-CE1 4.34Å; L558-I863 HydrophobicContact CB-CD1 3.76Å; L558-I863 HydrophobicContact CD1-CD1 3.72Å; L558-I863 HydrophobicContact CG-CD1 4.25Å
559L95.9Very high92.8Very high8 Ų828.9 Ų28.94%0.04215%0.153CC..Hα-helixtrans-61.1-44.9177.2-175.658000111.3E539 R543 T555 T556 F557 L561 L562 L563 L575E539-L559 HydrophobicContact CG-CD1 4.24Å; R543-L559 HydrophobicContact CG-CD1 4.19Å; T555-L559 WeakPolarHBondContact O-CB 3.5Å; T555-L559 PolarHBondContact O-N 3.37Å; T556-L559 PolarHBondContact O-N 3.01Å; F557-L559 VanDerWaalsContact C-N 3.33Å; F557-L559 PolarHBondContact O-N 3.47Å; L559-L561 VanDerWaalsContact C-N 3.35Å; L559-L561 PolarHBondContact O-N 3.1Å; L559-L562 WeakPolarHBondContact O-CB 3.46Å; L559-L562 PolarHBondContact O-N 3.17Å; L559-L563 WeakPolarHBondContact O-CG 3.47Å; L559-L563 PolarHBondContact O-N 2.93Å; L559-L575 HydrophobicContact CB-CD2 4.03Å; L559-L575 HydrophobicContact CD2-CD2 3.79Å; L559-L575 HydrophobicContact CG-CD2 3.76Å
560A95.4Very high92.9Very high0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-60.7-42.4175.100000111.8T556 F557 L558 L562 L563 T564 L575 V576 L592T556-A560 WeakPolarHBondContact O-CB 3.44Å; T556-A560 PolarHBondContact O-N 3.26Å; F557-A560 PolarHBondContact O-N 2.74Å; L558-A560 PolarHBondContact O-N 2.94Å; A560-L562 VanDerWaalsContact C-N 3.34Å; A560-L562 PolarHBondContact O-N 3.35Å; A560-L563 PolarHBondContact O-N 3.14Å; A560-T564 WeakPolarHBondContact O-CG2 3.26Å; A560-T564 PolarHBondContact O-N 3.47Å; A560-L575 HydrophobicContact CB-CD2 4.25Å; A560-V576 HydrophobicContact CB-CG2 3.56Å; A560-L592 HydrophobicContact CB-CD2 3.59Å
561L95.3Very high93.2Very high0 Ų035.1 Ų35.10%017%0.173CC..Hα-helixtrans-61.5-40.9174.2-68-179.3000112.3F557 L558 L559 T564 A565 L592 L858 F860 I862 I863F557-L561 HydrophobicContact CD1-CD1 4.24Å; F557-L561 HydrophobicContact CE1-CD1 3.76Å; F557-L561 HydrophobicContact CE1-CG 4.48Å; F557-L561 HydrophobicContact CZ-CD1 3.92Å; F557-L561 HydrophobicContact CZ-CD2 4.5Å; F557-L561 HydrophobicContact CZ-CG 4.35Å; F557-L561 WeakPolarHBondContact O-CG 3.33Å; F557-L561 PolarHBondContact O-N 3.42Å; L558-L561 PolarHBondContact O-N 2.66Å; L559-L561 VanDerWaalsContact C-N 3.35Å; L559-L561 PolarHBondContact O-N 3.1Å; L561-T564 PolarHBondContact O-N 3.13Å; L561-T564 PolarHBondContact O-OG1 3.43Å; L561-A565 PolarHBondContact O-N 3.22Å; L561-L592 HydrophobicContact CD2-CD1 3.8Å; L561-L592 HydrophobicContact CD2-CD2 4.01Å; L561-L592 HydrophobicContact CG-CD2 4.38Å; L561-L858 HydrophobicContact CD2-CB 3.78Å; L561-F860 HydrophobicContact CB-CD1 3.9Å; L561-F860 HydrophobicContact CB-CE1 3.62Å; L561-F860 HydrophobicContact CD1-CD1 4.11Å; L561-I862 HydrophobicContact CD1-CG2 3.88Å; L561-I863 HydrophobicContact CD1-CD1 4.13Å; L561-I863 HydrophobicContact CD1-CG1 4.48Å
562L96.1Very high93.5Very high1 Ų130.1 Ų30.11%0.00515%0.146CC..Hα-helixtrans-63-40.3175.4-71.1168000111.8A530 L535 A538 E539 C542 L558 L559 A560 A565 K566 F860A530-L562 HydrophobicContact CB-CD2 4Å; L535-L562 HydrophobicContact CD2-CD2 3.97Å; A538-L562 HydrophobicContact CB-CD1 4.09Å; A538-L562 HydrophobicContact CB-CD2 3.65Å; E539-L562 HydrophobicContact CB-CD1 4.47Å; C542-L562 HydrophobicContact CB-CD1 3.85Å; L558-L562 HydrophobicContact CD1-CD1 4.43Å; L558-L562 HydrophobicContact CD1-CG 4.38Å; L558-L562 HydrophobicContact CG-CD1 4.21Å; L558-L562 WeakPolarHBondContact O-CG 3.36Å; L558-L562 PolarHBondContact O-N 3.25Å; L559-L562 WeakPolarHBondContact O-CB 3.46Å; L559-L562 PolarHBondContact O-N 3.17Å; A560-L562 VanDerWaalsContact C-N 3.34Å; A560-L562 PolarHBondContact O-N 3.35Å; L562-A565 WeakPolarHBondContact O-CB 3.34Å; L562-A565 PolarHBondContact O-N 2.84Å; L562-K566 WeakPolarHBondContact O-CG 3.49Å; L562-K566 PolarHBondContact O-N 3.37Å; L562-F860 HydrophobicContact CD2-CE1 3.92Å; L562-F860 HydrophobicContact CD2-CZ 3.71Å; L562-F860 HydrophobicContact CG-CE1 4.15Å; L562-F860 HydrophobicContact CG-CZ 4.4Å
563L95.6Very high93.9Very high11 Ų1129.7 Ų29.76%0.05814%0.144CC..Hα-helixtrans-63.2-40.5173.9-68.2173.5000111.9L559 A560 A565 K566 K567 L568 E571 A572 L575L559-L563 WeakPolarHBondContact O-CG 3.47Å; L559-L563 PolarHBondContact O-N 2.93Å; A560-L563 PolarHBondContact O-N 3.14Å; L563-A565 VanDerWaalsContact C-N 3.31Å; L563-A565 PolarHBondContact O-N 3.39Å; L563-K566 CarbonylContact O-C 3.56Å; L563-K566 PolarHBondContact O-N 3.37Å; L563-K567 PolarHBondContact O-N 3.32Å; L563-L568 HydrophobicContact CD2-CD1 4.31Å; L563-L568 PolarHBondContact O-N 2.94Å; L563-E571 HydrophobicContact CD1-CB 4.37Å; L563-A572 HydrophobicContact CB-CB 3.82Å; L563-A572 HydrophobicContact CD1-CB 4.48Å; L563-L575 HydrophobicContact CD1-CD2 4.08Å
564T94.4Very high94.2Very high10 Ų1035.2 Ų35.26%0.06117%0.169CC..Hα-helixtrans-64.1-35.5173.369.90000112.7A560 L561 K566 K567 A572 L596 L857A560-T564 WeakPolarHBondContact O-CG2 3.26Å; A560-T564 PolarHBondContact O-N 3.47Å; L561-T564 PolarHBondContact O-N 3.13Å; L561-T564 PolarHBondContact O-OG1 3.43Å; T564-K566 VanDerWaalsContact C-N 3.32Å; T564-K566 PolarHBondContact O-N 2.89Å; T564-K567 PolarHBondContact O-N 3.34Å; T564-K567 VanDerWaalsContact O-N 3.17Å; T564-A572 HydrophobicContact CG2-CB 3.83Å; T564-L596 HydrophobicContact CG2-CD2 3.81Å; T564-L857 HydrophobicContact CG2-CB 4.04Å; T564-L857 PolarHBondContact OG1-N 3.36Å; T564-L857 VanDerWaalsContact OG1-N 3.1Å
565A92.6Very high94.4Very high0 Ų035.7 Ų35.70%017%0.172CC..Hα-helixtrans-64.7-37.7174.700000111.5L535 L561 L562 L563 K567 P856 F860L535-A565 HydrophobicContact CD1-CB 3.87Å; L535-A565 HydrophobicContact CD2-CB 4Å; L561-A565 PolarHBondContact O-N 3.22Å; L562-A565 WeakPolarHBondContact O-CB 3.34Å; L562-A565 PolarHBondContact O-N 2.84Å; L563-A565 VanDerWaalsContact C-N 3.31Å; L563-A565 PolarHBondContact O-N 3.39Å; A565-K567 PolarHBondContact O-N 3.16Å; A565-P856 HydrophobicContact CB-CB 4.01Å; A565-F860 HydrophobicContact CB-CZ 4.13Å
566K93Very high94.4Very high94 Ų9435.6 Ų35.641%0.40917%0.171SC..THydrogen-bonded Turntrans-776.6174.9-66.4179.274.8-1750114.4L535 E539 L562 L563 T564 L568L535-K566 HydrophobicContact CD1-CG 4.45Å; E539-K566 IonicContact OE1-NZ 2.82Å; E539-K566 WeakPolarHBondContact OE2-CD 3.38Å; E539-K566 IonicContact OE2-NZ 3.67Å; E539-K566 PolarHBondContact OE2-NZ 3.42Å; L562-K566 WeakPolarHBondContact O-CG 3.49Å; L562-K566 PolarHBondContact O-N 3.37Å; L563-K566 CarbonylContact O-C 3.56Å; L563-K566 PolarHBondContact O-N 3.37Å; T564-K566 VanDerWaalsContact C-N 3.32Å; T564-K566 PolarHBondContact O-N 2.89Å; K566-L568 VanDerWaalsContact C-N 3.34Å; K566-L568 HydrophobicContact CB-CD1 4.39Å; K566-L568 PolarHBondContact O-N 3.28Å
567K92.1Very high94.5Very high111 Ų11139.2 Ų39.248%0.48319%0.187SC..THydrogen-bonded Turntrans62.934.8-179.2-48-56.7179.8-167.40114.1L563 T564 A565 P569 A852 S855L563-K567 PolarHBondContact O-N 3.32Å; T564-K567 PolarHBondContact O-N 3.34Å; T564-K567 VanDerWaalsContact O-N 3.17Å; A565-K567 PolarHBondContact O-N 3.16Å; K567-P569 WeakPolarHBondContact O-CD 3.47Å; K567-A852 WeakPolarHBondContact CE-O 3.43Å; K567-A852 PolarHBondContact NZ-O 3.46Å; K567-S855 PolarHBondContact NZ-O 3.42Å; K567-S855 PolarHBondContact NZ-OG 3.18Å
568L93.9Very high94.5Very high60 Ų6044.9 Ų44.931%0.31421%0.214SC..  trans-113.268.4174.5-59.8170.8000110.4L563 K566 E571 A572L563-L568 HydrophobicContact CD2-CD1 4.31Å; L563-L568 PolarHBondContact O-N 2.94Å; K566-L568 VanDerWaalsContact C-N 3.34Å; K566-L568 HydrophobicContact CB-CD1 4.39Å; K566-L568 PolarHBondContact O-N 3.28Å; L568-E571 HydrophobicContact CB-CB 4.38Å; L568-A572 WeakPolarHBondContact O-CB 3.29Å; L568-A572 PolarHBondContact O-N 2.83Å; L568-A572 VanDerWaalsContact O-N 3.15Å
569P92.9Very high94.4Very high44 Ų4445.1 Ų45.129%0.28622%0.216SC..Hα-helixtrans-70.8-28.3-175.429.8-36.9000113.7K567 L573 L596 L600K567-P569 WeakPolarHBondContact O-CD 3.47Å; P569-L573 WeakPolarHBondContact O-CB 3.46Å; P569-L573 PolarHBondContact O-N 3.39Å; P569-L596 HydrophobicContact CB-CD2 4.13Å; P569-L600 HydrophobicContact CB-CD1 4.19Å; P569-L600 HydrophobicContact CB-CD2 3.96Å; P569-L600 HydrophobicContact CB-CG 4.24Å; P569-L600 HydrophobicContact CG-CD2 3.8Å
570E94.4Very high94.1Very high139 Ų13945.6 Ų45.665%0.6522%0.218SC*.Hα-helixtrans-69-50.4178.9-65176.217900110.8A572 L573 E574 L600E570-A572 VanDerWaalsContact C-N 3.29Å; E570-A572 PolarHBondContact O-N 3.42Å; E570-L573 WeakPolarHBondContact O-CB 3.14Å; E570-L573 PolarHBondContact O-N 3.46Å; E570-E574 PolarHBondContact O-N 3.4Å; E570-L600 HydrophobicContact CG-CD2 4.26Å
571E95.2Very high94Very high97 Ų9750 Ų5045%0.45325%0.25SC..Hα-helixtrans-60.2-39.3173.5-63.8-178.8-166.500111.9L563 L568 L573 E574 L575L563-E571 HydrophobicContact CD1-CB 4.37Å; L568-E571 HydrophobicContact CB-CB 4.38Å; E571-L573 VanDerWaalsContact C-N 3.27Å; E571-L573 PolarHBondContact O-N 3.34Å; E571-E574 PolarHBondContact O-N 2.92Å; E571-L575 PolarHBondContact O-N 3.41Å; E571-L575 VanDerWaalsContact O-N 3.17Å
572A95.4Very high93.7Very high0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-62.9-36.6175.800000111.8L563 T564 L568 E570 V576 L596L563-A572 HydrophobicContact CB-CB 3.82Å; L563-A572 HydrophobicContact CD1-CB 4.48Å; T564-A572 HydrophobicContact CG2-CB 3.83Å; L568-A572 WeakPolarHBondContact O-CB 3.29Å; L568-A572 PolarHBondContact O-N 2.83Å; L568-A572 VanDerWaalsContact O-N 3.15Å; E570-A572 VanDerWaalsContact C-N 3.29Å; E570-A572 PolarHBondContact O-N 3.42Å; A572-V576 WeakPolarHBondContact O-CB 3.34Å; A572-V576 WeakPolarHBondContact O-CG2 3.38Å; A572-V576 PolarHBondContact O-N 2.98Å; A572-V576 VanDerWaalsContact O-N 3.1Å; A572-L596 HydrophobicContact CB-CD1 4.41Å; A572-L596 HydrophobicContact CB-CD2 4.39Å
573L95.3Very high93.4Very high12 Ų1257.7 Ų57.76%0.06329%0.285CS..Hα-helixtrans-70.6-45.4178.9177.467.7000111.9P569 E570 E571 L575 V576 E577 R593 L596 Y597 L600 F601P569-L573 WeakPolarHBondContact O-CB 3.46Å; P569-L573 PolarHBondContact O-N 3.39Å; E570-L573 WeakPolarHBondContact O-CB 3.14Å; E570-L573 PolarHBondContact O-N 3.46Å; E571-L573 VanDerWaalsContact C-N 3.27Å; E571-L573 PolarHBondContact O-N 3.34Å; L573-L575 VanDerWaalsContact C-N 3.29Å; L573-L575 PolarHBondContact O-N 3.4Å; L573-V576 PolarHBondContact O-N 3.22Å; L573-V576 VanDerWaalsContact O-N 3.1Å; L573-E577 HydrophobicContact CD1-CG 4.11Å; L573-E577 HydrophobicContact CG-CG 4.34Å; L573-E577 WeakPolarHBondContact O-CG 3.25Å; L573-E577 PolarHBondContact O-N 2.89Å; L573-R593 HydrophobicContact CD1-CG 4.16Å; L573-L596 HydrophobicContact CB-CD1 4.2Å; L573-L596 HydrophobicContact CD1-CB 4.17Å; L573-L596 HydrophobicContact CD1-CD1 4.21Å; L573-Y597 HydrophobicContact CD1-CD1 3.81Å; L573-Y597 HydrophobicContact CD1-CE1 3.42Å; L573-Y597 VanDerWaalsContact CD1-CE1 3.42Å; L573-Y597 HydrophobicContact CD2-CD1 4.24Å; L573-Y597 HydrophobicContact CD2-CE1 3.86Å; L573-Y597 HydrophobicContact CG-CE1 4.21Å; L573-L600 HydrophobicContact CB-CD1 4.24Å; L573-L600 HydrophobicContact CD2-CD1 3.92Å; L573-F601 HydrophobicContact CD2-CE2 3.44Å; L573-F601 VanDerWaalsContact CD2-CE2 3.44Å; L573-F601 HydrophobicContact CD2-CZ 3.79Å
574E95.5Very high92.9Very high126 Ų12661.1 Ų61.159%0.58931%0.308SS*.Hα-helixtrans-54.9-48.3176.3-69.7178.9173.400110.6E570 E571 V576 E577 E578E570-E574 PolarHBondContact O-N 3.4Å; E571-E574 PolarHBondContact O-N 2.92Å; E574-V576 VanDerWaalsContact C-N 3.31Å; E574-V576 PolarHBondContact O-N 3.13Å; E574-E577 PolarHBondContact O-N 2.69Å; E574-E578 WeakPolarHBondContact O-CG 3.48Å; E574-E578 PolarHBondContact O-N 2.7Å
575L94.3Very high92.2Very high23 Ų2364 Ų6412%0.1233%0.329CS..Hα-helixtrans-61-38.4177.4-175.167.4000112.8T556 L559 A560 L563 E571 L573 A579T556-L575 HydrophobicContact CG2-CD1 3.77Å; T556-L575 HydrophobicContact CG2-CD2 4.02Å; T556-L575 HydrophobicContact CG2-CG 3.6Å; L559-L575 HydrophobicContact CB-CD2 4.03Å; L559-L575 HydrophobicContact CD2-CD2 3.79Å; L559-L575 HydrophobicContact CG-CD2 3.76Å; A560-L575 HydrophobicContact CB-CD2 4.25Å; L563-L575 HydrophobicContact CD1-CD2 4.08Å; E571-L575 PolarHBondContact O-N 3.41Å; E571-L575 VanDerWaalsContact O-N 3.17Å; L573-L575 VanDerWaalsContact C-N 3.29Å; L573-L575 PolarHBondContact O-N 3.4Å; L575-A579 WeakPolarHBondContact O-CB 3.44Å; L575-A579 PolarHBondContact O-N 3.42Å
576V94.1Very high91.8Very high0 Ų064.4 Ų64.40%033%0.33CS..Hα-helixtrans-71.7-38.6178.8167.40000111.5A560 A572 L573 E574 A579 I580 L589 L592 R593 L596A560-V576 HydrophobicContact CB-CG2 3.56Å; A572-V576 WeakPolarHBondContact O-CB 3.34Å; A572-V576 WeakPolarHBondContact O-CG2 3.38Å; A572-V576 PolarHBondContact O-N 2.98Å; A572-V576 VanDerWaalsContact O-N 3.1Å; L573-V576 PolarHBondContact O-N 3.22Å; L573-V576 VanDerWaalsContact O-N 3.1Å; E574-V576 VanDerWaalsContact C-N 3.31Å; E574-V576 PolarHBondContact O-N 3.13Å; V576-A579 PolarHBondContact O-N 2.9Å; V576-I580 HydrophobicContact CG1-CD1 3.55Å; V576-I580 HydrophobicContact CG1-CG1 4.31Å; V576-I580 WeakPolarHBondContact O-CB 3.01Å; V576-I580 WeakPolarHBondContact O-CD1 3.44Å; V576-I580 WeakPolarHBondContact O-CG1 3.21Å; V576-I580 PolarHBondContact O-N 2.53Å; V576-L589 HydrophobicContact CG1-CD2 4.45Å; V576-L589 HydrophobicContact CG2-CD2 4.25Å; V576-L592 HydrophobicContact CG2-CD2 3.74Å; V576-L592 HydrophobicContact CG2-CG 4.17Å; V576-R593 HydrophobicContact CG1-CB 3.77Å; V576-R593 HydrophobicContact CG1-CG 4.44Å; V576-L596 HydrophobicContact CG2-CD1 4.21Å
577E94.2Very high91.1Very high83 Ų8360 Ų6039%0.38831%0.311SS..Hα-helixtrans-65.9-41.3176.5-72.4-175.9170.400111.6L573 E574 I580 S581 Y597L573-E577 HydrophobicContact CD1-CG 4.11Å; L573-E577 HydrophobicContact CG-CG 4.34Å; L573-E577 WeakPolarHBondContact O-CG 3.25Å; L573-E577 PolarHBondContact O-N 2.89Å; E574-E577 PolarHBondContact O-N 2.69Å; E577-I580 PolarHBondContact O-N 3.34Å; E577-S581 PolarHBondContact O-N 3.29Å; E577-S581 VanDerWaalsContact O-N 3.08Å; E577-Y597 PolarHBondContact OE1-OH 2.96Å
578E93.8Very high90.8Very high124 Ų12455.1 Ų55.158%0.57929%0.292SS*.Hα-helixtrans-58.7-50.1170.7-71.5-179.3176.500111.1E574 I580 S581 E582E574-E578 WeakPolarHBondContact O-CG 3.48Å; E574-E578 PolarHBondContact O-N 2.7Å; E578-I580 VanDerWaalsContact C-N 3.35Å; E578-I580 PolarHBondContact O-N 3.18Å; E578-S581 WeakPolarHBondContact O-CB 3.23Å; E578-S581 PolarHBondContact O-N 3.06Å; E578-S581 VanDerWaalsContact O-N 3.1Å; E578-S581 PolarHBondContact O-OG 2.86Å; E578-E582 PolarHBondContact O-N 2.89Å
579A92.1Very high90.6Very high4 Ų452.3 Ų52.33%0.03328%0.277CS..Hα-helixtrans-63.9-35.7-179.200000113.7T556 L575 V576 S581 E582 H583 L589T556-A579 HydrophobicContact CG2-CB 3.66Å; L575-A579 WeakPolarHBondContact O-CB 3.44Å; L575-A579 PolarHBondContact O-N 3.42Å; V576-A579 PolarHBondContact O-N 2.9Å; A579-S581 VanDerWaalsContact C-N 3.31Å; A579-E582 PolarHBondContact O-N 3.17Å; A579-H583 PolarHBondContact O-N 2.97Å; A579-L589 HydrophobicContact CB-CD1 3.74Å; A579-L589 HydrophobicContact CB-CD2 4.04Å
580I91.1Very high90.4Very high18 Ų1850.5 Ų50.59%0.09227%0.265CS..Hα-helixtrans-70.3-31.4176.2-71.1163.9000110.9V576 E577 E578 E582 H583 P584 L589 L590 R593V576-I580 HydrophobicContact CG1-CD1 3.55Å; V576-I580 HydrophobicContact CG1-CG1 4.31Å; V576-I580 WeakPolarHBondContact O-CB 3.01Å; V576-I580 WeakPolarHBondContact O-CD1 3.44Å; V576-I580 WeakPolarHBondContact O-CG1 3.21Å; V576-I580 PolarHBondContact O-N 2.53Å; E577-I580 PolarHBondContact O-N 3.34Å; E578-I580 VanDerWaalsContact C-N 3.35Å; E578-I580 PolarHBondContact O-N 3.18Å; I580-E582 PolarHBondContact O-N 3.19Å; I580-H583 CarbonylContact O-C 3.29Å; I580-H583 PolarHBondContact O-N 3.31Å; I580-P584 VanDerWaalsContact O-CA 3.3Å; I580-P584 WeakPolarHBondContact O-CA 3.42Å; I580-P584 VanDerWaalsContact O-N 3.12Å; I580-L589 HydrophobicContact CD1-CB 4.37Å; I580-L589 HydrophobicContact CG1-CB 3.87Å; I580-L590 HydrophobicContact CD1-CD2 4.06Å; I580-L590 HydrophobicContact CG1-CD2 4.3Å; I580-L590 HydrophobicContact CG2-CD2 4Å; I580-R593 HydrophobicContact CD1-CB 3.84Å; I580-R593 HydrophobicContact CD1-CG 4.26Å
581S92Very high90.1Very high94 Ų9443.9 Ų43.966%0.65723%0.234SC*.Hα-helixtrans-63.8-33.1175.182.60000112.2E577 E578 A579E577-S581 PolarHBondContact O-N 3.29Å; E577-S581 VanDerWaalsContact O-N 3.08Å; E578-S581 WeakPolarHBondContact O-CB 3.23Å; E578-S581 PolarHBondContact O-N 3.06Å; E578-S581 VanDerWaalsContact O-N 3.1Å; E578-S581 PolarHBondContact O-OG 2.86Å; A579-S581 VanDerWaalsContact C-N 3.31Å
582E90.7Very high89.8Confident125 Ų12539.2 Ų39.258%0.58421%0.213SC*.Hα-helixtrans-83.7-40.5175.5-62.2-174.4157.600112.2E578 A579 I580 P584E578-E582 PolarHBondContact O-N 2.89Å; A579-E582 PolarHBondContact O-N 3.17Å; I580-E582 PolarHBondContact O-N 3.19Å; E582-P584 WeakPolarHBondContact O-CD 3.08Å
583H88.4Confident89.7Confident37 Ų3740.2 Ų40.217%0.17122%0.216CC..  trans-124.770.7-176.1-53.8-68.5000112.7D551 P553 A579 I580 S585 H586D551-H583 PolarHBondContact O-CE1 3.15Å; D551-H583 PolarHBondContact O-NE2 3.4Å; D551-H583 VanDerWaalsContact O-NE2 3.15Å; D551-H583 IonicContact OD1-CE1 2.75Å; D551-H583 PolarHBondContact OD1-CE1 3.34Å; D551-H583 IonicContact OD1-NE2 2.63Å; P553-H583 HydrophobicContact CB-CB 4.37Å; A579-H583 PolarHBondContact O-N 2.97Å; I580-H583 CarbonylContact O-C 3.29Å; I580-H583 PolarHBondContact O-N 3.31Å; H583-S585 PolarHBondContact O-N 3.27Å; H583-S585 VanDerWaalsContact O-N 3.13Å; H583-H586 HydrophobicContact CB-CB 4.05Å; H583-H586 WeakPolarHBondContact O-CB 3.24Å; H583-H586 PolarHBondContact O-N 3.39Å; H583-H586 VanDerWaalsContact O-N 3.08Å
584P85.7Confident89.4Confident83 Ų8339.6 Ų39.654%0.53921%0.213SC..THydrogen-bonded Turntrans-67.7-16.7-174.826.3-35.7000114.2I580 E582I580-P584 VanDerWaalsContact O-CA 3.3Å; I580-P584 WeakPolarHBondContact O-CA 3.42Å; I580-P584 VanDerWaalsContact O-N 3.12Å; E582-P584 WeakPolarHBondContact O-CD 3.08Å
585S80.2Confident89.2Confident71 Ų7134.6 Ų34.650%0.49719%0.189SC..THydrogen-bonded Turntrans-89.5-2.6176.857.70000113.8H583 S587H583-S585 PolarHBondContact O-N 3.27Å; H583-S585 VanDerWaalsContact O-N 3.13Å; S585-S587 PolarHBondContact O-N 3.37Å
586H83.3Confident89.1Confident7 Ų733.5 Ų33.53%0.03218%0.183CC..  trans-81.9108.4-175.1-167.483.5000111.6P553 N554 H583 A588 L589 L590 N706P553-H586 HydrophobicContact CB-CB 4.43Å; N554-H586 PolarHBondContact OD1-CE1 3.11Å; H583-H586 HydrophobicContact CB-CB 4.05Å; H583-H586 WeakPolarHBondContact O-CB 3.24Å; H583-H586 PolarHBondContact O-N 3.39Å; H583-H586 VanDerWaalsContact O-N 3.08Å; H586-A588 PolarHBondContact O-N 2.79Å; H586-L589 HydrophobicContact CB-CD1 4.1Å; H586-L589 VanDerWaalsContact CD2-CG 3.48Å; H586-L589 WeakPolarHBondContact CD2-CG 3.48Å; H586-L589 PolarHBondContact CD2-N 3.03Å; H586-L589 PolarHBondContact O-N 3.13Å; H586-L590 PolarHBondContact O-N 3.18Å; H586-N706 PolarHBondContact ND1-ND2 2.89Å
587S79.1Confident89Confident1 Ų134.6 Ų34.61%0.00719%0.188CC..Hα-helixtrans-66.6-38.8-169.754.20000114.7S585 L589 L590 L591 F702S585-S587 PolarHBondContact O-N 3.37Å; S587-L589 PolarHBondContact O-N 3.05Å; S587-L590 PolarHBondContact O-N 2.9Å; S587-L591 PolarHBondContact O-N 2.94Å; S587-F702 WeakPolarHBondContact OG-CB 3.46Å; S587-F702 WeakPolarHBondContact OG-CD1 3.33Å
588A84.6Confident88.7Confident10 Ų1031.4 Ų31.48%0.08318%0.175CC..Hα-helixtrans-66.7-37-179.400000112.6F557 H586 L591 L592F557-A588 HydrophobicContact CD1-CB 4.46Å; F557-A588 HydrophobicContact CD2-CB 4.25Å; F557-A588 HydrophobicContact CE1-CB 4.11Å; F557-A588 HydrophobicContact CE2-CB 3.87Å; F557-A588 VanDerWaalsContact CE2-O 3.25Å; F557-A588 WeakPolarHBondContact CE2-O 3.37Å; F557-A588 HydrophobicContact CZ-CB 3.81Å; H586-A588 PolarHBondContact O-N 2.79Å; A588-L591 PolarHBondContact O-N 2.95Å; A588-L592 PolarHBondContact O-N 2.89Å
589L89.9Confident88.5Confident0 Ų031.3 Ų31.30%017%0.172CC..Hα-helixtrans-66.1-43.5175.5-77.4167.9000111P553 F557 V576 A579 I580 H586 S587 L591 L592 R593P553-L589 HydrophobicContact CB-CD1 3.88Å; F557-L589 HydrophobicContact CB-CD2 3.96Å; F557-L589 HydrophobicContact CB-CG 4.39Å; F557-L589 HydrophobicContact CD2-CD2 4.1Å; F557-L589 HydrophobicContact CD2-CG 4.45Å; V576-L589 HydrophobicContact CG1-CD2 4.45Å; V576-L589 HydrophobicContact CG2-CD2 4.25Å; A579-L589 HydrophobicContact CB-CD1 3.74Å; A579-L589 HydrophobicContact CB-CD2 4.04Å; I580-L589 HydrophobicContact CD1-CB 4.37Å; I580-L589 HydrophobicContact CG1-CB 3.87Å; H586-L589 HydrophobicContact CB-CD1 4.1Å; H586-L589 VanDerWaalsContact CD2-CG 3.48Å; H586-L589 WeakPolarHBondContact CD2-CG 3.48Å; H586-L589 PolarHBondContact CD2-N 3.03Å; H586-L589 PolarHBondContact O-N 3.13Å; S587-L589 PolarHBondContact O-N 3.05Å; L589-L591 VanDerWaalsContact C-N 3.3Å; L589-L591 PolarHBondContact O-N 2.85Å; L589-L592 PolarHBondContact O-N 3.22Å; L589-R593 PolarHBondContact O-N 3.48Å
590L89.2Confident88.3Confident6 Ų633.7 Ų33.73%0.03118%0.184CC..Hα-helixtrans-61.6-38.4175.2-67.8173.5000112I580 H586 S587 R593 L594 L613 M616I580-L590 HydrophobicContact CD1-CD2 4.06Å; I580-L590 HydrophobicContact CG1-CD2 4.3Å; I580-L590 HydrophobicContact CG2-CD2 4Å; H586-L590 PolarHBondContact O-N 3.18Å; S587-L590 PolarHBondContact O-N 2.9Å; L590-R593 PolarHBondContact O-N 3.41Å; L590-L594 PolarHBondContact O-N 3.17Å; L590-L613 HydrophobicContact CB-CD1 3.69Å; L590-L613 HydrophobicContact CD1-CD1 4.12Å; L590-M616 HydrophobicContact CD1-CB 4.02Å; L590-M616 HydrophobicContact CD1-CE 3.59Å; L590-M616 HydrophobicContact CD1-CG 3.89Å
591L87.1Confident88.1Confident0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-65.9-44.7174.6178.262.6000111.9S587 A588 L589 R593 L594 R595 L700 F702 E725 L858 I862S587-L591 PolarHBondContact O-N 2.94Å; A588-L591 PolarHBondContact O-N 2.95Å; L589-L591 VanDerWaalsContact C-N 3.3Å; L589-L591 PolarHBondContact O-N 2.85Å; L591-R593 VanDerWaalsContact C-N 3.31Å; L591-R593 PolarHBondContact O-N 2.93Å; L591-L594 HydrophobicContact CD1-CD2 4.29Å; L591-L594 WeakPolarHBondContact O-CB 3.28Å; L591-L594 PolarHBondContact O-N 3.12Å; L591-R595 HydrophobicContact CD1-CG 4.41Å; L591-R595 WeakPolarHBondContact O-CG 3.46Å; L591-R595 PolarHBondContact O-N 3.21Å; L591-L700 HydrophobicContact CD2-CD1 3.63Å; L591-F702 HydrophobicContact CD2-CD2 4.35Å; L591-F702 HydrophobicContact CD2-CE2 3.5Å; L591-F702 HydrophobicContact CD2-CZ 4.07Å; L591-E725 HydrophobicContact CD1-CB 3.83Å; L591-E725 HydrophobicContact CD1-CG 3.97Å; L591-E725 HydrophobicContact CD2-CG 4.08Å; L591-L858 HydrophobicContact CD2-CD1 4.44Å; L591-L858 HydrophobicContact CG-CD1 4.3Å; L591-I862 HydrophobicContact CD2-CD1 4.15Å
592L90.5Very high87.3Confident0 Ų039.9 Ų39.90%020%0.201CC..Hα-helixtrans-63.3-39.7176.7178.159.6000111.5F557 A560 L561 V576 A588 L589 R595 L596 L857 L858F557-L592 HydrophobicContact CD2-CB 4.24Å; F557-L592 HydrophobicContact CD2-CD2 3.8Å; F557-L592 HydrophobicContact CE2-CB 3.76Å; F557-L592 HydrophobicContact CE2-CD2 3.89Å; F557-L592 HydrophobicContact CE2-CG 4.43Å; A560-L592 HydrophobicContact CB-CD2 3.59Å; L561-L592 HydrophobicContact CD2-CD1 3.8Å; L561-L592 HydrophobicContact CD2-CD2 4.01Å; L561-L592 HydrophobicContact CG-CD2 4.38Å; V576-L592 HydrophobicContact CG2-CD2 3.74Å; V576-L592 HydrophobicContact CG2-CG 4.17Å; A588-L592 PolarHBondContact O-N 2.89Å; L589-L592 PolarHBondContact O-N 3.22Å; L592-R595 PolarHBondContact O-N 3.06Å; L592-L596 HydrophobicContact CD1-CD1 4.24Å; L592-L596 HydrophobicContact CD1-CG 4.18Å; L592-L596 HydrophobicContact CG-CD1 3.94Å; L592-L596 HydrophobicContact CG-CG 4.37Å; L592-L596 WeakPolarHBondContact O-CB 3.47Å; L592-L596 VanDerWaalsContact O-CG 3.29Å; L592-L596 WeakPolarHBondContact O-CG 3.47Å; L592-L596 PolarHBondContact O-N 3.2Å; L592-L857 HydrophobicContact CD1-CD2 4.35Å; L592-L858 HydrophobicContact CB-CD1 4.23Å; L592-L858 HydrophobicContact CD1-CD1 4.05Å; L592-L858 HydrophobicContact CD1-CG 4.47Å
593R92.5Very high86.7Confident20 Ų2037 Ų378%0.07519%0.187CC..Hα-helixtrans-60.1-46.1172.8-172.1-179.556.4153.34.3111.9L573 V576 I580 L589 L590 L591 R595 L596 Y597 E612L573-R593 HydrophobicContact CD1-CG 4.16Å; V576-R593 HydrophobicContact CG1-CB 3.77Å; V576-R593 HydrophobicContact CG1-CG 4.44Å; I580-R593 HydrophobicContact CD1-CB 3.84Å; I580-R593 HydrophobicContact CD1-CG 4.26Å; L589-R593 PolarHBondContact O-N 3.48Å; L590-R593 PolarHBondContact O-N 3.41Å; L591-R593 VanDerWaalsContact C-N 3.31Å; L591-R593 PolarHBondContact O-N 2.93Å; R593-R595 VanDerWaalsContact C-N 3.3Å; R593-R595 PolarHBondContact O-N 3.41Å; R593-L596 PolarHBondContact O-N 2.88Å; R593-Y597 HydrophobicContact CG-CD1 4.31Å; R593-Y597 HydrophobicContact CG-CD2 4.3Å; R593-Y597 HydrophobicContact CG-CE1 4.03Å; R593-Y597 HydrophobicContact CG-CE2 3.96Å; R593-Y597 HydrophobicContact CG-CG 4.47Å; R593-Y597 WeakPolarHBondContact O-CB 3.47Å; R593-Y597 PolarHBondContact O-N 3.2Å; R593-E612 IonicContact CZ-OE2 3.65Å; R593-E612 IonicContact NH1-OE2 2.83Å; R593-E612 PolarHBondContact NH1-OE2 3.4Å; R593-E612 IonicContact NH2-OE2 3.63Å; R593-E612 PolarHBondContact NH2-OE2 2.74Å
594L89.9Confident86.5Confident0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-55.9-46.5175.6176.874.3000111.2L590 L591 Y597 S598 V606 A609 A610 L613 L726 T729L590-L594 PolarHBondContact O-N 3.17Å; L591-L594 HydrophobicContact CD1-CD2 4.29Å; L591-L594 WeakPolarHBondContact O-CB 3.28Å; L591-L594 PolarHBondContact O-N 3.12Å; L594-Y597 PolarHBondContact O-N 3.43Å; L594-S598 PolarHBondContact O-N 3.04Å; L594-V606 HydrophobicContact CD1-CG1 3.67Å; L594-V606 WeakPolarHBondContact CD1-O 3.31Å; L594-A609 HydrophobicContact CD1-CB 4.01Å; L594-A610 HydrophobicContact CD1-CB 4.03Å; L594-L613 HydrophobicContact CD2-CD2 4.48Å; L594-L726 HydrophobicContact CD1-CD2 4.41Å; L594-L726 HydrophobicContact CD2-CD2 3.65Å; L594-T729 HydrophobicContact CD2-CG2 3.93Å; L594-T729 HydrophobicContact CG-CG2 4.27Å
595R90.4Very high86.5Confident20 Ų2044.1 Ų44.18%0.07521%0.209CC..Hα-helixtrans-66.9-39.6179.1-69.7-81.9-174.2168.45112L591 L592 R593 S598 K599 E725 E728 T729 E732 L857 L858L591-R595 HydrophobicContact CD1-CG 4.41Å; L591-R595 WeakPolarHBondContact O-CG 3.46Å; L591-R595 PolarHBondContact O-N 3.21Å; L592-R595 PolarHBondContact O-N 3.06Å; R593-R595 VanDerWaalsContact C-N 3.3Å; R593-R595 PolarHBondContact O-N 3.41Å; R595-S598 PolarHBondContact O-N 2.89Å; R595-K599 PolarHBondContact O-N 3.46Å; R595-E725 IonicContact CZ-OE2 3.03Å; R595-E725 IonicContact NE-OE2 3.93Å; R595-E725 PolarHBondContact NE-OE2 3.45Å; R595-E725 IonicContact NH2-OE2 2.86Å; R595-E725 PolarHBondContact NH2-OE2 3.46Å; R595-E728 IonicContact NH2-OE2 3.93Å; R595-E728 PolarHBondContact NH2-OE2 3.25Å; R595-T729 HydrophobicContact CG-CG2 4.35Å; R595-E732 IonicContact NH1-OE1 2.69Å; R595-E732 PolarHBondContact NH1-OE1 2.82Å; R595-L857 HydrophobicContact CB-CD2 3.82Å; R595-L857 HydrophobicContact CB-CG 4.21Å; R595-L858 HydrophobicContact CG-CD1 4.36Å; R595-L858 HydrophobicContact CG-CD2 4Å; R595-L858 HydrophobicContact CG-CG 4.37Å
596L92.3Very high86.8Confident1 Ų140.8 Ų40.81%0.00519%0.186CC..Hα-helixtrans-64.1-45.1174.8-76.1168.2000111.4T564 P569 A572 L573 V576 L592 R593 S598 K599 L600 L857T564-L596 HydrophobicContact CG2-CD2 3.81Å; P569-L596 HydrophobicContact CB-CD2 4.13Å; A572-L596 HydrophobicContact CB-CD1 4.41Å; A572-L596 HydrophobicContact CB-CD2 4.39Å; L573-L596 HydrophobicContact CB-CD1 4.2Å; L573-L596 HydrophobicContact CD1-CB 4.17Å; L573-L596 HydrophobicContact CD1-CD1 4.21Å; V576-L596 HydrophobicContact CG2-CD1 4.21Å; L592-L596 HydrophobicContact CD1-CD1 4.24Å; L592-L596 HydrophobicContact CD1-CG 4.18Å; L592-L596 HydrophobicContact CG-CD1 3.94Å; L592-L596 HydrophobicContact CG-CG 4.37Å; L592-L596 WeakPolarHBondContact O-CB 3.47Å; L592-L596 VanDerWaalsContact O-CG 3.29Å; L592-L596 WeakPolarHBondContact O-CG 3.47Å; L592-L596 PolarHBondContact O-N 3.2Å; R593-L596 PolarHBondContact O-N 2.88Å; L596-S598 VanDerWaalsContact C-N 3.3Å; L596-S598 PolarHBondContact O-N 2.98Å; L596-K599 PolarHBondContact O-N 2.95Å; L596-L600 WeakPolarHBondContact O-CB 3.38Å; L596-L600 PolarHBondContact O-N 2.89Å; L596-L857 HydrophobicContact CD2-CD2 3.82Å; L596-L857 HydrophobicContact CG-CD2 4.01Å
597Y91.6Very high86.8Confident23 Ų2342.6 Ų42.69%0.0920%0.195CC..Hα-helixtrans-61.5-38.9175.6-75.2-2.4000112.3L573 E577 R593 L594 K599 L600 F601 Y605 A609L573-Y597 HydrophobicContact CD1-CD1 3.81Å; L573-Y597 HydrophobicContact CD1-CE1 3.42Å; L573-Y597 VanDerWaalsContact CD1-CE1 3.42Å; L573-Y597 HydrophobicContact CD2-CD1 4.24Å; L573-Y597 HydrophobicContact CD2-CE1 3.86Å; L573-Y597 HydrophobicContact CG-CE1 4.21Å; E577-Y597 PolarHBondContact OE1-OH 2.96Å; R593-Y597 HydrophobicContact CG-CD1 4.31Å; R593-Y597 HydrophobicContact CG-CD2 4.3Å; R593-Y597 HydrophobicContact CG-CE1 4.03Å; R593-Y597 HydrophobicContact CG-CE2 3.96Å; R593-Y597 HydrophobicContact CG-CG 4.47Å; R593-Y597 WeakPolarHBondContact O-CB 3.47Å; R593-Y597 PolarHBondContact O-N 3.2Å; L594-Y597 PolarHBondContact O-N 3.43Å; Y597-K599 PolarHBondContact O-N 3.39Å; Y597-L600 PolarHBondContact O-N 3.5Å; Y597-F601 AromaticContact CD1-CD2 3.37Å; Y597-F601 HydrophobicContact CD1-CD2 3.37Å; Y597-F601 AromaticContact CD1-CE2 3.46Å; Y597-F601 HydrophobicContact CD1-CE2 3.46Å; Y597-F601 VanDerWaalsContact CD1-CE2 3.46Å; Y597-F601 AromaticContact CE1-CD2 3.88Å; Y597-F601 HydrophobicContact CE1-CD2 3.88Å; Y597-F601 AromaticContact CE1-CE2 3.58Å; Y597-F601 HydrophobicContact CE1-CE2 3.58Å; Y597-F601 AromaticContact CG-CD2 3.95Å; Y597-F601 HydrophobicContact CG-CD2 3.95Å; Y597-F601 HydrophobicContact CG-CE2 4.45Å; Y597-F601 PolarHBondContact O-N 3.27Å; Y597-Y605 WeakPolarHBondContact CD2-O 3.34Å; Y597-A609 HydrophobicContact CD2-CB 3.66Å; Y597-A609 HydrophobicContact CE2-CB 4.03Å
598S89.2Confident87.2Confident16 Ų1645.5 Ų45.511%0.11221%0.213CC..Hα-helixtrans-64.3-22.1174.9-175.20000113.7L594 R595 L596L594-S598 PolarHBondContact O-N 3.04Å; R595-S598 PolarHBondContact O-N 2.89Å; L596-S598 VanDerWaalsContact C-N 3.3Å; L596-S598 PolarHBondContact O-N 2.98Å
599K88.2Confident87.3Confident121 Ų12145 Ų4553%0.52621%0.209SC..Hα-helixtrans-93.9-35.4176.8-65.5-59178.3-154.40113.2R595 L596 Y597 E732 L857R595-K599 PolarHBondContact O-N 3.46Å; L596-K599 PolarHBondContact O-N 2.95Å; Y597-K599 PolarHBondContact O-N 3.39Å; K599-E732 IonicContact NZ-OE2 3.07Å; K599-E732 PolarHBondContact NZ-OE2 3.47Å; K599-L857 HydrophobicContact CD-CD1 4.27Å; K599-L857 HydrophobicContact CG-CD1 3.71Å; K599-L857 HydrophobicContact CG-CD2 4.37Å
600L89.3Confident87Confident55 Ų5545.6 Ų45.629%0.28821%0.214SC..Hα-helixtrans-95.1-38-173.2-70175.5000113.9P569 E570 L573 L596 Y597P569-L600 HydrophobicContact CB-CD1 4.19Å; P569-L600 HydrophobicContact CB-CD2 3.96Å; P569-L600 HydrophobicContact CB-CG 4.24Å; P569-L600 HydrophobicContact CG-CD2 3.8Å; E570-L600 HydrophobicContact CG-CD2 4.26Å; L573-L600 HydrophobicContact CB-CD1 4.24Å; L573-L600 HydrophobicContact CD2-CD1 3.92Å; L596-L600 WeakPolarHBondContact O-CB 3.38Å; L596-L600 PolarHBondContact O-N 2.89Å; Y597-L600 PolarHBondContact O-N 3.5Å
601F85.3Confident86.7Confident91 Ų9151.6 Ų51.640%0.39924%0.239SC..SBendtrans-116.4173-167.8-59.7-66.2000113.1L573 Y597 Y605L573-F601 HydrophobicContact CD2-CE2 3.44Å; L573-F601 VanDerWaalsContact CD2-CE2 3.44Å; L573-F601 HydrophobicContact CD2-CZ 3.79Å; Y597-F601 AromaticContact CD1-CD2 3.37Å; Y597-F601 HydrophobicContact CD1-CD2 3.37Å; Y597-F601 AromaticContact CD1-CE2 3.46Å; Y597-F601 HydrophobicContact CD1-CE2 3.46Å; Y597-F601 VanDerWaalsContact CD1-CE2 3.46Å; Y597-F601 AromaticContact CE1-CD2 3.88Å; Y597-F601 HydrophobicContact CE1-CD2 3.88Å; Y597-F601 AromaticContact CE1-CE2 3.58Å; Y597-F601 HydrophobicContact CE1-CE2 3.58Å; Y597-F601 AromaticContact CG-CD2 3.95Å; Y597-F601 HydrophobicContact CG-CD2 3.95Å; Y597-F601 HydrophobicContact CG-CE2 4.45Å; Y597-F601 PolarHBondContact O-N 3.27Å; F601-Y605 HydrophobicContact CB-CD2 3.88Å; F601-Y605 HydrophobicContact CB-CG 4.18Å; F601-Y605 HydrophobicContact CG-CD2 4.36Å; F601-Y605 HydrophobicContact CG-CG 4.48Å
602Q75.8Confident86.6Confident151 Ų15155.9 Ų55.971%0.70626%0.26SS*.  trans-74.4165.3174.2-63.2-178.90.500111.8E604 Y605Q602-E604 PolarHBondContact O-N 3.11Å; Q602-E604 VanDerWaalsContact O-N 3.09Å; Q602-Y605 PolarHBondContact O-N 3.09Å
603H78.8Confident86.2Confident64 Ų6455.9 Ų55.930%0.29626%0.26SS..Hα-helixtrans-52.9-32.9-173.6178.446.1000115.2Y605 V606 I607 M735H603-Y605 PolarHBondContact O-N 3.44Å; H603-V606 WeakPolarHBondContact O-CB 3.05Å; H603-V606 PolarHBondContact O-N 3.45Å; H603-I607 WeakPolarHBondContact CE1-CD1 3.33Å; H603-I607 WeakPolarHBondContact CE1-CG1 3.36Å; H603-I607 WeakPolarHBondContact NE2-CD1 3.28Å; H603-I607 PolarHBondContact O-N 3.09Å; H603-M735 WeakPolarHBondContact CE1-CE 3.36Å; H603-M735 PolarHBondContact CE1-SD 3.3Å; H603-M735 PolarHBondContact ND1-SD 3.5Å; H603-M735 WeakPolarHBondContact NE2-CE 3.33Å; H603-M735 PolarHBondContact NE2-SD 3.04Å
604E83.9Confident85.6Confident144 Ų14456.1 Ų56.167%0.67326%0.262SS*.Hα-helixtrans-60.9-41.5-177.9-62.8-170.9160.300113.4Q602 V606 I607 T608Q602-E604 PolarHBondContact O-N 3.11Å; Q602-E604 VanDerWaalsContact O-N 3.09Å; E604-V606 VanDerWaalsContact C-N 3.3Å; E604-V606 PolarHBondContact O-N 2.97Å; E604-I607 PolarHBondContact O-N 2.97Å; E604-T608 PolarHBondContact O-N 3.04Å
605Y85.6Confident85.2Confident126 Ų12660.1 Ų60.149%0.49429%0.286SS..Hα-helixtrans-69-29.6178.7-68.5-85.3000112.4Y597 F601 Q602 H603 T608 A609Y597-Y605 WeakPolarHBondContact CD2-O 3.34Å; F601-Y605 HydrophobicContact CB-CD2 3.88Å; F601-Y605 HydrophobicContact CB-CG 4.18Å; F601-Y605 HydrophobicContact CG-CD2 4.36Å; F601-Y605 HydrophobicContact CG-CG 4.48Å; Q602-Y605 PolarHBondContact O-N 3.09Å; H603-Y605 PolarHBondContact O-N 3.44Å; Y605-T608 WeakPolarHBondContact CA-OG1 3.47Å; Y605-T608 PolarHBondContact O-N 3.42Å; Y605-T608 PolarHBondContact O-OG1 3.4Å; Y605-A609 WeakPolarHBondContact O-CB 3.25Å; Y605-A609 PolarHBondContact O-N 3.31Å
606V85.6Confident84.6Confident1 Ų160.2 Ų60.21%0.00629%0.288CS..Hα-helixtrans-67.9-42.5176.5-174.50000110L594 H603 E604 T608 A609 A610 L733L594-V606 HydrophobicContact CD1-CG1 3.67Å; L594-V606 WeakPolarHBondContact CD1-O 3.31Å; H603-V606 WeakPolarHBondContact O-CB 3.05Å; H603-V606 PolarHBondContact O-N 3.45Å; E604-V606 VanDerWaalsContact C-N 3.3Å; E604-V606 PolarHBondContact O-N 2.97Å; V606-T608 PolarHBondContact O-N 3.33Å; V606-A609 PolarHBondContact O-N 3.15Å; V606-A610 VanDerWaalsContact O-CB 3.25Å; V606-A610 WeakPolarHBondContact O-CB 3.37Å; V606-A610 PolarHBondContact O-N 3.25Å; V606-L733 HydrophobicContact CB-CD1 4.18Å; V606-L733 HydrophobicContact CG1-CD1 3.9Å; V606-L733 HydrophobicContact CG2-CD1 4.23Å
607I84.7Confident83.6Confident44 Ų4460.8 Ų60.823%0.22629%0.29CS..Hα-helixtrans-64.5-40.3177.5-61.7164.4000111.5H603 E604 A610 K611H603-I607 WeakPolarHBondContact CE1-CD1 3.33Å; H603-I607 WeakPolarHBondContact CE1-CG1 3.36Å; H603-I607 WeakPolarHBondContact NE2-CD1 3.28Å; H603-I607 PolarHBondContact O-N 3.09Å; E604-I607 PolarHBondContact O-N 2.97Å; I607-A610 PolarHBondContact O-N 3.22Å; I607-K611 HydrophobicContact CG2-CD 4.09Å; I607-K611 HydrophobicContact CG2-CG 4.44Å; I607-K611 WeakPolarHBondContact O-CB 3.29Å; I607-K611 VanDerWaalsContact O-CG 3.31Å; I607-K611 WeakPolarHBondContact O-CG 3.49Å; I607-K611 PolarHBondContact O-N 3.39Å
608T87.2Confident82.6Confident62 Ų6266.2 Ų66.238%0.3831%0.311SS..Hα-helixtrans-66-46.8178.5540000111.2E604 Y605 V606 A610 K611 E612E604-T608 PolarHBondContact O-N 3.04Å; Y605-T608 WeakPolarHBondContact CA-OG1 3.47Å; Y605-T608 PolarHBondContact O-N 3.42Å; Y605-T608 PolarHBondContact O-OG1 3.4Å; V606-T608 PolarHBondContact O-N 3.33Å; T608-A610 VanDerWaalsContact C-N 3.3Å; T608-A610 PolarHBondContact O-N 3.38Å; T608-K611 WeakPolarHBondContact O-CB 3.42Å; T608-K611 PolarHBondContact O-N 2.98Å; T608-E612 WeakPolarHBondContact O-CG 3.34Å; T608-E612 PolarHBondContact O-N 3.46Å
609A85.8Confident81.7Confident1 Ų168.6 Ų68.61%0.00832%0.324CS..Hα-helixtrans-60.4-39.6174.900000112.4L594 Y597 Y605 V606 E612 L613L594-A609 HydrophobicContact CD1-CB 4.01Å; Y597-A609 HydrophobicContact CD2-CB 3.66Å; Y597-A609 HydrophobicContact CE2-CB 4.03Å; Y605-A609 WeakPolarHBondContact O-CB 3.25Å; Y605-A609 PolarHBondContact O-N 3.31Å; V606-A609 PolarHBondContact O-N 3.15Å; A609-E612 PolarHBondContact O-N 2.61Å; A609-L613 PolarHBondContact O-N 3.04Å
610A83.8Confident80.4Confident12 Ų1265.1 Ų65.110%0.09931%0.313CS..Hα-helixtrans-61.3-45.1174.400000112.3L594 V606 I607 T608 E612 L613 L614 L726L594-A610 HydrophobicContact CD1-CB 4.03Å; V606-A610 VanDerWaalsContact O-CB 3.25Å; V606-A610 WeakPolarHBondContact O-CB 3.37Å; V606-A610 PolarHBondContact O-N 3.25Å; I607-A610 PolarHBondContact O-N 3.22Å; T608-A610 VanDerWaalsContact C-N 3.3Å; T608-A610 PolarHBondContact O-N 3.38Å; A610-E612 VanDerWaalsContact C-N 3.34Å; A610-E612 PolarHBondContact O-N 2.94Å; A610-L613 PolarHBondContact O-N 3.01Å; A610-L614 WeakPolarHBondContact O-CG 3.45Å; A610-L614 PolarHBondContact O-N 3.09Å; A610-L726 HydrophobicContact CB-CD2 3.31Å
611K83.9Confident78.8Confident131 Ų13162.7 Ų62.757%0.5730%0.301SS*.Hα-helixtrans-62.1-41.9175.6-75.8170.7179.9170.90111.6I607 T608 L614 V615I607-K611 HydrophobicContact CG2-CD 4.09Å; I607-K611 HydrophobicContact CG2-CG 4.44Å; I607-K611 WeakPolarHBondContact O-CB 3.29Å; I607-K611 VanDerWaalsContact O-CG 3.31Å; I607-K611 WeakPolarHBondContact O-CG 3.49Å; I607-K611 PolarHBondContact O-N 3.39Å; T608-K611 WeakPolarHBondContact O-CB 3.42Å; T608-K611 PolarHBondContact O-N 2.98Å; K611-L614 PolarHBondContact O-N 3.22Å; K611-V615 WeakPolarHBondContact O-CB 3.43Å; K611-V615 VanDerWaalsContact O-CG2 3.23Å; K611-V615 WeakPolarHBondContact O-CG2 3.44Å; K611-V615 PolarHBondContact O-N 3.47Å
612E84.2Confident77.2Confident91 Ų9167.1 Ų67.143%0.42532%0.315SS..Hα-helixtrans-62.8-44.5177.5-73.3175.1-160.700111.9R593 T608 A609 A610 L614 V615 M616R593-E612 IonicContact CZ-OE2 3.65Å; R593-E612 IonicContact NH1-OE2 2.83Å; R593-E612 PolarHBondContact NH1-OE2 3.4Å; R593-E612 IonicContact NH2-OE2 3.63Å; R593-E612 PolarHBondContact NH2-OE2 2.74Å; T608-E612 WeakPolarHBondContact O-CG 3.34Å; T608-E612 PolarHBondContact O-N 3.46Å; A609-E612 PolarHBondContact O-N 2.61Å; A610-E612 VanDerWaalsContact C-N 3.34Å; A610-E612 PolarHBondContact O-N 2.94Å; E612-L614 PolarHBondContact O-N 3.38Å; E612-V615 PolarHBondContact O-N 3.18Å; E612-M616 WeakPolarHBondContact O-CB 3.5Å; E612-M616 PolarHBondContact O-N 3.4Å
613L82.8Confident75.8Confident0 Ų067.2 Ų67.20%031%0.314CS..Hα-helixtrans-58.8-45.3174.4-179.966000111.8L590 L594 A609 A610 M616 W617 I722L590-L613 HydrophobicContact CB-CD1 3.69Å; L590-L613 HydrophobicContact CD1-CD1 4.12Å; L594-L613 HydrophobicContact CD2-CD2 4.48Å; A609-L613 PolarHBondContact O-N 3.04Å; A610-L613 PolarHBondContact O-N 3.01Å; L613-M616 HydrophobicContact CD1-CE 4.22Å; L613-W617 PolarHBondContact O-N 3.47Å; L613-W617 VanDerWaalsContact O-N 3.12Å; L613-I722 HydrophobicContact CD2-CG2 3.8Å; L613-I722 HydrophobicContact CG-CG2 3.89Å
614L79.5Confident74.2Confident25 Ų2566.3 Ų66.313%0.13131%0.311CS..Hα-helixtrans-66.5-38.7176.9-72172.1000112.9A610 K611 E612 W617 R618 I722 W723 L726A610-L614 WeakPolarHBondContact O-CG 3.45Å; A610-L614 PolarHBondContact O-N 3.09Å; K611-L614 PolarHBondContact O-N 3.22Å; E612-L614 PolarHBondContact O-N 3.38Å; L614-W617 PolarHBondContact O-N 3.28Å; L614-R618 WeakPolarHBondContact O-CG 3.14Å; L614-R618 PolarHBondContact O-N 3.21Å; L614-I722 HydrophobicContact CD2-CG2 3.93Å; L614-W723 HydrophobicContact CD1-CH2 3.78Å; L614-W723 HydrophobicContact CD1-CZ3 3.88Å; L614-W723 HydrophobicContact CD2-CD2 4.22Å; L614-W723 HydrophobicContact CD2-CE3 4.21Å; L614-W723 HydrophobicContact CD2-CH2 3.8Å; L614-W723 HydrophobicContact CD2-CZ2 3.8Å; L614-W723 HydrophobicContact CD2-CZ3 4.01Å; L614-W723 HydrophobicContact CG-CH2 4.47Å; L614-L726 HydrophobicContact CD1-CD1 3.82Å; L614-L726 HydrophobicContact CD2-CD1 3.68Å; L614-L726 HydrophobicContact CG-CD1 3.66Å
615V81.3Confident72.3Confident83 Ų8362.3 Ų62.350%0.50330%0.299SS..Hα-helixtrans-66.9-47177.81680000110.5K611 E612 W617 R618 T619K611-V615 WeakPolarHBondContact O-CB 3.43Å; K611-V615 VanDerWaalsContact O-CG2 3.23Å; K611-V615 WeakPolarHBondContact O-CG2 3.44Å; K611-V615 PolarHBondContact O-N 3.47Å; E612-V615 PolarHBondContact O-N 3.18Å; V615-W617 VanDerWaalsContact C-N 3.27Å; V615-W617 PolarHBondContact O-N 2.92Å; V615-R618 PolarHBondContact O-N 3.35Å; V615-R618 VanDerWaalsContact O-N 3.12Å; V615-T619 HydrophobicContact CG1-CG2 4.32Å; V615-T619 WeakPolarHBondContact O-CG2 3.11Å; V615-T619 PolarHBondContact O-N 3.02Å; V615-T619 PolarHBondContact O-OG1 3.49Å
616M78.2Confident70.1Confident22 Ų2261.4 Ų61.411%0.10831%0.306CS..Hα-helixtrans-54.8-44.9175.5-179.7-75.4-7600111L590 E612 L613 T619 T620L590-M616 HydrophobicContact CD1-CB 4.02Å; L590-M616 HydrophobicContact CD1-CE 3.59Å; L590-M616 HydrophobicContact CD1-CG 3.89Å; E612-M616 WeakPolarHBondContact O-CB 3.5Å; E612-M616 PolarHBondContact O-N 3.4Å; L613-M616 HydrophobicContact CD1-CE 4.22Å; M616-T619 PolarHBondContact O-N 3.26Å; M616-T619 PolarHBondContact O-OG1 3.16Å; M616-T620 WeakPolarHBondContact O-CG2 3.43Å; M616-T620 PolarHBondContact O-N 3.38Å; M616-T620 PolarHBondContact O-OG1 3.08Å; M616-T620 HydrophobicContact SD-CG2 3.94Å
617W70Confident67.5Low14 Ų1467.7 Ų67.75%0.05334%0.34CS..Hα-helixtrans-65.7-41.7176.9174.785.6000112.6L613 L614 V615 T619 T620 G621 R715 E719 I722L613-W617 PolarHBondContact O-N 3.47Å; L613-W617 VanDerWaalsContact O-N 3.12Å; L614-W617 PolarHBondContact O-N 3.28Å; V615-W617 VanDerWaalsContact C-N 3.27Å; V615-W617 PolarHBondContact O-N 2.92Å; W617-T619 VanDerWaalsContact C-N 3.32Å; W617-T619 PolarHBondContact O-N 3.47Å; W617-T620 WeakPolarHBondContact CA-OG1 3.45Å; W617-T620 PolarHBondContact O-OG1 3.35Å; W617-G621 PolarHBondContact O-N 2.97Å; W617-R715 HydrophobicContact CZ2-CG 4.33Å; W617-E719 HydrophobicContact CD2-CB 4.46Å; W617-E719 HydrophobicContact CD2-CG 4.38Å; W617-E719 HydrophobicContact CE3-CG 4.43Å; W617-E719 HydrophobicContact CH2-CB 4.02Å; W617-E719 HydrophobicContact CH2-CG 3.54Å; W617-E719 WeakPolarHBondContact CH2-OE1 3.13Å; W617-E719 WeakPolarHBondContact CH2-OE2 3.43Å; W617-E719 HydrophobicContact CZ2-CB 3.35Å; W617-E719 HydrophobicContact CZ2-CG 3.44Å; W617-E719 VanDerWaalsContact CZ2-CG 3.44Å; W617-E719 WeakPolarHBondContact CZ2-OE2 3.38Å; W617-E719 HydrophobicContact CZ3-CG 4.03Å; W617-I722 HydrophobicContact CB-CD1 3.66Å; W617-I722 HydrophobicContact CG-CD1 3.67Å
618R72.1Confident64.9Low137 Ų13768.5 Ų68.552%0.51736%0.358SS..Hα-helixtrans-64.2-36.2177.1-75.8176.8-179.6-179.50.5112.4L614 V615 R622L614-R618 WeakPolarHBondContact O-CG 3.14Å; L614-R618 PolarHBondContact O-N 3.21Å; V615-R618 PolarHBondContact O-N 3.35Å; V615-R618 VanDerWaalsContact O-N 3.12Å; R618-R622 WeakPolarHBondContact O-CG 3.48Å; R618-R622 PolarHBondContact O-N 3.2Å
619T68.9Low62Low66 Ų6668.4 Ų68.441%0.40536%0.36SS..Hα-helixtrans-74.5-45.6-179.953.20000111.6V615 M616 W617 G621 R622 F623V615-T619 HydrophobicContact CG1-CG2 4.32Å; V615-T619 WeakPolarHBondContact O-CG2 3.11Å; V615-T619 PolarHBondContact O-N 3.02Å; V615-T619 PolarHBondContact O-OG1 3.49Å; M616-T619 PolarHBondContact O-N 3.26Å; M616-T619 PolarHBondContact O-OG1 3.16Å; W617-T619 VanDerWaalsContact C-N 3.32Å; W617-T619 PolarHBondContact O-N 3.47Å; T619-G621 PolarHBondContact O-N 3.47Å; T619-R622 PolarHBondContact O-N 2.94Å; T619-R622 VanDerWaalsContact O-N 3.11Å; T619-F623 WeakPolarHBondContact O-CD2 3.47Å; T619-F623 PolarHBondContact O-N 2.96Å
620T62.7Low59.4Low48 Ų4872.7 Ų72.729%0.29439%0.388SS..Hα-helixtrans-57.2-38.5173.2460000111.6M616 W617M616-T620 WeakPolarHBondContact O-CG2 3.43Å; M616-T620 PolarHBondContact O-N 3.38Å; M616-T620 PolarHBondContact O-OG1 3.08Å; M616-T620 HydrophobicContact SD-CG2 3.94Å; W617-T620 WeakPolarHBondContact CA-OG1 3.45Å; W617-T620 PolarHBondContact O-OG1 3.35Å
621G55.5Low56.8Low3 Ų378.9 Ų78.93%0.03142%0.418CS..Hα-helixtrans-66.7-33.2174.200000115.7W617 T619 S625W617-G621 PolarHBondContact O-N 2.97Å; T619-G621 PolarHBondContact O-N 3.47Å; G621-S625 PolarHBondContact O-N 2.99Å; G621-S625 VanDerWaalsContact O-N 3.15Å
622R51.2Low54.1Low184 Ų18476.9 Ų76.969%0.69441%0.414SS*.Hα-helixtrans-71.7-43.2179.8-79.4-177.3-172.6179.22.6112.5R618 T619 L624 S625 T626R618-R622 WeakPolarHBondContact O-CG 3.48Å; R618-R622 PolarHBondContact O-N 3.2Å; T619-R622 PolarHBondContact O-N 2.94Å; T619-R622 VanDerWaalsContact O-N 3.11Å; R622-L624 PolarHBondContact O-N 3.47Å; R622-S625 PolarHBondContact O-N 3.48Å; R622-S625 VanDerWaalsContact O-N 3.13Å; R622-S625 PolarHBondContact O-OG 3.31Å; R622-T626 PolarHBondContact O-N 3.2Å; R622-T626 PolarHBondContact O-OG1 3.44Å
623F47Very low51.6Low153 Ų15375.6 Ų75.667%0.67141%0.412SS*.Hα-helixtrans-58.6-31176.1-85.1-80.2000112.5T619 T626T619-F623 WeakPolarHBondContact O-CD2 3.47Å; T619-F623 PolarHBondContact O-N 2.96Å; F623-T626 VanDerWaalsContact C-OG1 3.28Å; F623-T626 WeakPolarHBondContact CA-OG1 3.38Å; F623-T626 PolarHBondContact O-OG1 3.05Å
624L44.5Very low49Very low45 Ų4577.5 Ų77.524%0.23643%0.427CS..Hα-helixtrans-81.1-33.8175.7-66176.4000113.1R622 T626 L627 G628 C708 V710R622-L624 PolarHBondContact O-N 3.47Å; L624-T626 PolarHBondContact O-N 3.04Å; L624-L627 HydrophobicContact CD2-CD1 4.49Å; L624-L627 CarbonylContact O-C 3.21Å; L624-L627 PolarHBondContact O-N 2.68Å; L624-G628 WeakPolarHBondContact O-CA 3.35Å; L624-G628 PolarHBondContact O-N 2.87Å; L624-C708 WeakPolarHBondContact CD2-O 3.33Å; L624-V710 HydrophobicContact CD1-CB 4.35Å; L624-V710 HydrophobicContact CD1-CG2 4.28Å
625S43.8Very low46.5Very low61 Ų6183.1 Ų83.143%0.42745%0.453SS..Hα-helixtrans-60.7-31.3172.867.20000112.6G621 R622 L627 S629G621-S625 PolarHBondContact O-N 2.99Å; G621-S625 VanDerWaalsContact O-N 3.15Å; R622-S625 PolarHBondContact O-N 3.48Å; R622-S625 VanDerWaalsContact O-N 3.13Å; R622-S625 PolarHBondContact O-OG 3.31Å; S625-L627 VanDerWaalsContact C-N 3.35Å; S625-S629 WeakPolarHBondContact O-CB 3.43Å; S625-S629 PolarHBondContact O-N 3.41Å; S625-S629 VanDerWaalsContact O-N 3.09Å
626T38.8Very low44Very low106 Ų10688.9 Ų88.965%0.6547%0.466SS*.Hα-helixtrans-74.7-20.5173.943.60000114.1R622 F623 L624R622-T626 PolarHBondContact O-N 3.2Å; R622-T626 PolarHBondContact O-OG1 3.44Å; F623-T626 VanDerWaalsContact C-OG1 3.28Å; F623-T626 WeakPolarHBondContact CA-OG1 3.38Å; F623-T626 PolarHBondContact O-OG1 3.05Å; L624-T626 PolarHBondContact O-N 3.04Å
627L32.7Very low41.6Very low134 Ų13496.7 Ų96.770%0.70249%0.494SS*.Hα-helixtrans-99.2-32.4177.8-78.3160.2000113L624 S625L624-L627 HydrophobicContact CD2-CD1 4.49Å; L624-L627 CarbonylContact O-C 3.21Å; L624-L627 PolarHBondContact O-N 2.68Å; S625-L627 VanDerWaalsContact C-N 3.35Å
628G29.4Very low39.6Very low60 Ų60101.4 Ų101.462%0.61952%0.521SS*.Hα-helixtrans-96.2-5.8-176.800000114.1L624 P630L624-G628 WeakPolarHBondContact O-CA 3.35Å; L624-G628 PolarHBondContact O-N 2.87Å; G628-P630 WeakPolarHBondContact O-CD 3.18Å
629S26.7Very low37.3Very low60 Ų60105.6 Ų105.642%0.4254%0.536SS..SBendtrans-66.2105.9145.9173.80000105.1S625 I631S625-S629 WeakPolarHBondContact O-CB 3.43Å; S625-S629 PolarHBondContact O-N 3.41Å; S625-S629 VanDerWaalsContact O-N 3.09Å; S629-I631 PolarHBondContact O-N 2.98Å
630P29.8Very low35.4Very low91 Ų91107.3 Ų107.359%0.59155%0.547SS*.  trans-49.5122.3156.723.5-31.1000104.6G628 D632G628-P630 WeakPolarHBondContact O-CD 3.18Å; P630-D632 WeakPolarHBondContact O-CA 3.45Å; P630-D632 PolarHBondContact O-N 2.77Å
631I30.6Very low33.7Very low143 Ų143113.9 Ų113.973%0.73357%0.571SS**THydrogen-bonded Turntrans-24.9111.2170.9-69.9161.2000106.8S629 T633S629-I631 PolarHBondContact O-N 2.98Å; I631-T633 WeakPolarHBondContact O-CA 3.26Å; I631-T633 WeakPolarHBondContact O-CG2 3.46Å; I631-T633 PolarHBondContact O-N 3.49Å
632D27.6Very low32.3Very low89 Ų89119.4 Ų119.448%0.47660%0.604SS.*THydrogen-bonded Turntrans-40.689.2-159.9-150-11.8000110.8P630 A634 E635P630-D632 WeakPolarHBondContact O-CA 3.45Å; P630-D632 PolarHBondContact O-N 2.77Å; D632-A634 PolarHBondContact O-N 3.42Å; D632-A634 VanDerWaalsContact O-N 3.11Å; D632-A634 VanDerWaalsContact OD1-CB 3.28Å; D632-A634 WeakPolarHBondContact OD1-CB 3.43Å; D632-E635 HydrophobicContact CB-CG 4.37Å; D632-E635 WeakPolarHBondContact O-CB 3.37Å; D632-E635 PolarHBondContact O-N 2.82Å
633T30.5Very low31Very low63 Ų63116 Ų11639%0.38761%0.609SS.*Hα-helixtrans-73.2-4.6-178.448.70000109.1I631 E635 W636 R637I631-T633 WeakPolarHBondContact O-CA 3.26Å; I631-T633 WeakPolarHBondContact O-CG2 3.46Å; I631-T633 PolarHBondContact O-N 3.49Å; T633-E635 VanDerWaalsContact C-N 3.33Å; T633-W636 CarbonylContact O-C 3.27Å; T633-W636 WeakPolarHBondContact O-CB 3.33Å; T633-W636 PolarHBondContact O-N 3.3Å; T633-R637 WeakPolarHBondContact O-CG 3.46Å; T633-R637 PolarHBondContact O-N 3.48Å
634A28.9Very low30.1Very low40 Ų40114.2 Ų114.233%0.33162%0.616SS.*Hα-helixtrans-65.7-32.6162.900000112.2D632 W636 R637 N638D632-A634 PolarHBondContact O-N 3.42Å; D632-A634 VanDerWaalsContact O-N 3.11Å; D632-A634 VanDerWaalsContact OD1-CB 3.28Å; D632-A634 WeakPolarHBondContact OD1-CB 3.43Å; A634-W636 VanDerWaalsContact C-N 3.27Å; A634-W636 PolarHBondContact O-N 3.26Å; A634-R637 PolarHBondContact O-N 3.06Å; A634-N638 VanDerWaalsContact O-CB 3.31Å; A634-N638 WeakPolarHBondContact O-CB 3.45Å; A634-N638 PolarHBondContact O-N 3.11Å
635E26.5Very low29.1Very low144 Ų144118.8 Ų118.867%0.67365%0.645SS**Hα-helixtrans-66.2-33.2170.4-73-165.2148.200111.4D632 T633D632-E635 HydrophobicContact CB-CG 4.37Å; D632-E635 WeakPolarHBondContact O-CB 3.37Å; D632-E635 PolarHBondContact O-N 2.82Å; T633-E635 VanDerWaalsContact C-N 3.33Å
636W28.9Very low28.1Very low203 Ų203121.7 Ų121.777%0.76967%0.666SS**Hα-helixtrans-72.9-32.2172.2-67.382.7000112.6T633 A634T633-W636 CarbonylContact O-C 3.27Å; T633-W636 WeakPolarHBondContact O-CB 3.33Å; T633-W636 PolarHBondContact O-N 3.3Å; A634-W636 VanDerWaalsContact C-N 3.27Å; A634-W636 PolarHBondContact O-N 3.26Å
637R27.6Very low27.3Very low187 Ų187125 Ų12571%0.70667%0.674SS**Hα-helixtrans-81.9-27.3177.5-77.5-177.6174.2130.7-1114.4T633 A634 T640T633-R637 WeakPolarHBondContact O-CG 3.46Å; T633-R637 PolarHBondContact O-N 3.48Å; A634-R637 PolarHBondContact O-N 3.06Å; R637-T640 PolarHBondContact O-OG1 3.43Å
638N27.7Very low26.7Very low113 Ų113128.4 Ų128.460%0.60468%0.677SS**Hα-helixtrans-100.3-0.9-173.2-75.9-24.7000114.8A634 T640A634-N638 VanDerWaalsContact O-CB 3.31Å; A634-N638 WeakPolarHBondContact O-CB 3.45Å; A634-N638 PolarHBondContact O-N 3.11Å; N638-T640 PolarHBondContact O-N 3.21Å
639R25Very low26.6Very low225 Ų225132.1 Ų132.185%0.84968%0.678SS**SBendtrans-76-1.7172.9-126.1174-175.4-111.21.1114.4
640T28.2Very low26.3Very low101 Ų101134.7 Ų134.762%0.6270%0.696SS**  trans-101.346.5170.753.40000112.3R637 N638R637-T640 PolarHBondContact O-OG1 3.43Å; N638-T640 PolarHBondContact O-N 3.21Å
641K26.1Very low26.1Very low186 Ų186138.9 Ų138.981%0.80971%0.708SS**  trans-132.452.4159.9-76.4-173.1-179.1172.50111.6S643K641-S643 PolarHBondContact O-N 2.84Å
642T26.2Very low25.6Very low119 Ų119136.9 Ų136.973%0.7371%0.706SS**  trans-81.1100.1153.855.60000108.3
643S25.5Very low25.5Very low114 Ų114139 Ų13980%0.79772%0.722SS**  trans38.589.1143.562.70000117.1K641K641-S643 PolarHBondContact O-N 2.84Å
644S26.8Very low25.5Very low115 Ų115141.2 Ų141.280%0.80474%0.738SS**  trans-147.2103136.7510000109.5S646S644-S646 PolarHBondContact O-N 3.33Å
645T22.9Very low25.1Very low140 Ų140144.4 Ų144.486%0.85976%0.758SS**  trans-49.9115.2156.939.50000109.7
646S24.3Very low25.1Very low123 Ų123147 Ų14786%0.8677%0.77SS**  trans-160.2112.4142.2-83.30000108.9S644S644-S646 PolarHBondContact O-N 3.33Å
647E20.5Very low24.7Very low176 Ų176147 Ų14782%0.82278%0.775SS**  trans-54.4166.6169-59169145.800111.2
648R21.8Very low24.5Very low204 Ų204141.5 Ų141.577%0.7778%0.777SS**  trans108.2122.4139.1-100.7170.4-174.4-173.27.1119.2
649H25.7Very low24.4Very low138 Ų138140.8 Ų140.864%0.63979%0.787SS**  trans93.177.8155.1-55.4110000118H651H649-H651 PolarHBondContact O-N 2.87Å
650S21.7Very low24.4Very low114 Ų114136.4 Ų136.480%0.79779%0.788SS**  trans-43.2117.8139.742.60000112.6
651H25.3Very low24.2Very low179 Ų179136.6 Ų136.683%0.82979%0.793SS**  trans-111.7104.3154.3-80.4-68.2000108.6H649H649-H651 PolarHBondContact O-N 2.87Å
652S20.2Very low24.1Very low101 Ų101133.3 Ų133.371%0.70679%0.794SS**  trans-70.3160.9162.246.20000110.8
653V26.1Very low24Very low134 Ų134134 Ų13481%0.81279%0.793SS**  trans140.6137.5147.2169.80000111.9
654P29.4Very low23.8Very low109 Ų109137.3 Ų137.371%0.70880%0.796SS**  cis-135.2166.6-4641.2-22.3000113.8
655S21.3Very low23.7Very low108 Ų108142.4 Ų142.476%0.75580%0.797SS**  trans-30.8121.6165.3-167.40000116.9
656Q25.5Very low23.6Very low198 Ų198141.7 Ų141.793%0.92579%0.793SS**  trans-98.4117.3151.7-79.5-163.2-1300109.4
657K21.8Very low23.6Very low202 Ų202140.5 Ų140.588%0.87878%0.784SS**  trans-75.4130.2168.3-71.2174.6172.4178.60109
658G23.4Very low23.8Very low73 Ų73138.6 Ų138.675%0.75378%0.784SS**  trans171.492.4167.400000115.6
659A24Very low23.8Very low98 Ų98133.5 Ų133.581%0.8178%0.776SS**  trans76.6137.4159.100000119.5S661A659-S661 PolarHBondContact O-N 3.2Å
660P25.1Very low23.8Very low132 Ų132131.4 Ų131.486%0.85778%0.783SS**  trans-84.7107.5-168.933.8-30.1000110.4S662P660-S662 PolarHBondContact O-N 3.17Å
661S24.3Very low23.8Very low105 Ų105130.6 Ų130.673%0.73477%0.773SS**  trans-76.9109.6159.562.10000107.8A659 N663A659-S661 PolarHBondContact O-N 3.2Å; S661-N663 PolarHBondContact O-N 3.05Å
662S25Very low23.6Very low117 Ų117130 Ų13082%0.81878%0.776SS**  trans-59.884.7167.352.90000109.9P660P660-S662 PolarHBondContact O-N 3.17Å
663N23.2Very low24Very low133 Ų133130.3 Ų130.371%0.71177%0.773SS**  trans-135.953.6165.4-100.8-8.4000107.4S661 R665S661-N663 PolarHBondContact O-N 3.05Å; N663-R665 PolarHBondContact O-N 3.25Å
664E22.2Very low23.8Very low184 Ų184130.8 Ų130.886%0.8677%0.771SS**  trans-71.779.9155-73.9-176.5172.600106.8T666E664-T666 PolarHBondContact O-N 2.91Å
665R23.3Very low23.7Very low223 Ų223137.3 Ų137.384%0.84278%0.784SS**  trans-61.5101.8151.6-78.9-178176-179-2.2104.9N663 S667N663-R665 PolarHBondContact O-N 3.25Å; R665-S667 PolarHBondContact O-N 2.92Å
666T22.3Very low24Very low125 Ų125135.6 Ų135.677%0.76778%0.776SS**  trans-57.389.2166.3200000107.7E664 V668E664-T666 PolarHBondContact O-N 2.91Å; T666-V668 VanDerWaalsContact C-N 3.31Å; T666-V668 PolarHBondContact O-N 2.7Å
667S22.8Very low24.5Very low97 Ų97132.5 Ų132.568%0.67877%0.766SS**  trans-64.693.4167.5160.50000107.2R665 V669R665-S667 PolarHBondContact O-N 2.92Å; S667-V669 PolarHBondContact O-N 3.26Å; S667-V669 WeakPolarHBondContact OG-CG2 2.81Å
668V25.3Very low25.4Very low136 Ų136126.5 Ų126.582%0.82475%0.746SS**  trans-71.976.9166.3-174.40000107.3T666 A670T666-V668 VanDerWaalsContact C-N 3.31Å; T666-V668 PolarHBondContact O-N 2.7Å; V668-A670 PolarHBondContact O-N 3.28Å
669V22.7Very low26.1Very low98 Ų98126.5 Ų126.559%0.59473%0.729SS**  trans-73.5119.2155172.90000104.7S667 T671S667-V669 PolarHBondContact O-N 3.26Å; S667-V669 WeakPolarHBondContact OG-CG2 2.81Å; V669-T671 HydrophobicContact CG1-CG2 4.07Å; V669-T671 PolarHBondContact O-N 3.36Å
670A23.7Very low27.3Very low94 Ų94125.3 Ų125.378%0.77772%0.715SS**  trans-62.380.6167.400000108.7V668 N672V668-A670 PolarHBondContact O-N 3.28Å; A670-N672 PolarHBondContact O-N 3.24Å
671T22.5Very low28.4Very low96 Ų96123.7 Ų123.759%0.58970%0.698SS**  trans-72.6124.8165.647.60000106.7V669 V673V669-T671 HydrophobicContact CG1-CG2 4.07Å; V669-T671 PolarHBondContact O-N 3.36Å; T671-V673 VanDerWaalsContact C-N 3.31Å; T671-V673 WeakPolarHBondContact O-CG2 3.25Å; T671-V673 PolarHBondContact O-N 3.28Å
672N21.8Very low29.3Very low166 Ų166119.7 Ų119.789%0.88867%0.669SS**  trans-52.797.8164.7-70.7-26.2000107.9A670A670-N672 PolarHBondContact O-N 3.24Å
673V27.4Very low30Very low109 Ų109119.5 Ų119.566%0.66165%0.654SS**  trans-102.1110172.8179.70000106.3T671T671-V673 VanDerWaalsContact C-N 3.31Å; T671-V673 WeakPolarHBondContact O-CG2 3.25Å; T671-V673 PolarHBondContact O-N 3.28Å
674D23.1Very low31Very low144 Ų144116.8 Ų116.877%0.7765%0.645SS**  trans-53.1138169.7-70-48.3000110.4A676D674-A676 PolarHBondContact O-N 2.86Å
675Y27.8Very low32.1Very low246 Ų246111.2 Ų111.297%0.96562%0.622SS**SBendtrans-15.788.6174-75.2-93.9000115.2
676A27.4Very low32.9Very low72 Ų72102.7 Ų102.760%0.59559%0.592SS**  trans-134.9117167.100000109D674 T678D674-A676 PolarHBondContact O-N 2.86Å; A676-T678 PolarHBondContact O-N 3.08Å
677D35Very low33.3Very low133 Ų133100.2 Ų100.271%0.71159%0.591SS**  trans19.588.8169.9-68.1-18.9000117.1D679 S680D677-D679 PolarHBondContact O-N 3.18Å; D677-S680 PolarHBondContact O-N 3Å; D677-S680 VanDerWaalsContact O-N 3.1Å; D677-S680 PolarHBondContact O-OG 2.92Å
678T41.5Very low33.6Very low76 Ų7698.8 Ų98.847%0.46659%0.592SS.*Hα-helixtrans-50.4-27.3169.846.40000113.2A676 S680 L681A676-T678 PolarHBondContact O-N 3.08Å; T678-S680 PolarHBondContact O-N 3.37Å; T678-L681 PolarHBondContact O-N 2.9Å
679D38.4Very low33.9Very low73 Ų7396.5 Ų96.539%0.3957%0.573SS.*Hα-helixtrans-65-36.4179.4-75.6-5.3000112.9D677 L681 V682 F683 K760D677-D679 PolarHBondContact O-N 3.18Å; D679-L681 PolarHBondContact O-N 3.5Å; D679-V682 PolarHBondContact O-N 3.02Å; D679-F683 WeakPolarHBondContact O-CD2 3.29Å; D679-F683 PolarHBondContact O-N 2.93Å; D679-K760 IonicContact OD1-NZ 2.82Å; D679-K760 PolarHBondContact OD1-NZ 3.17Å; D679-K760 IonicContact OD2-NZ 3.94Å; D679-K760 PolarHBondContact OD2-NZ 3.34Å
680S48.3Very low34.2Very low73 Ų7396.4 Ų96.451%0.5158%0.583SS.*Hα-helixtrans-71-30.3-177.9820000113.4D677 T678 S684D677-S680 PolarHBondContact O-N 3Å; D677-S680 VanDerWaalsContact O-N 3.1Å; D677-S680 PolarHBondContact O-OG 2.92Å; T678-S680 PolarHBondContact O-N 3.37Å; S680-S684 WeakPolarHBondContact O-CB 3.4Å; S680-S684 PolarHBondContact O-N 3.45Å; S680-S684 PolarHBondContact O-OG 2.69Å
681L47.6Very low34.4Very low98 Ų9896.1 Ų96.151%0.51358%0.575SS.*Hα-helixtrans-69.6-39.3178.6-74168.6000111.7T678 D679 S684 N685T678-L681 PolarHBondContact O-N 2.9Å; D679-L681 PolarHBondContact O-N 3.5Å; L681-S684 WeakPolarHBondContact CA-OG 3.42Å; L681-S684 PolarHBondContact O-OG 2.89Å; L681-N685 PolarHBondContact O-N 3.32Å; L681-N685 PolarHBondContact O-ND2 3.22Å
682V43.4Very low34.7Very low20 Ų2099.8 Ų99.812%0.12159%0.585CS.*Hα-helixtrans-67.8-44.5177.5-179.20000110.3D679 I686 V747 I757D679-V682 PolarHBondContact O-N 3.02Å; V682-I686 WeakPolarHBondContact O-CG1 3.49Å; V682-V747 HydrophobicContact CG2-CG1 3.78Å; V682-V747 HydrophobicContact CG2-CG2 4.16Å; V682-I757 HydrophobicContact CG1-CD1 3.72Å; V682-I757 HydrophobicContact CG1-CG1 3.53Å
683F39.6Very low35Very low113 Ų11397.4 Ų97.450%0.49657%0.569SS.*Hα-helixtrans-67.9-36.6179.5-77.5-69.2000113.8D679 I686 V779D679-F683 WeakPolarHBondContact O-CD2 3.29Å; D679-F683 PolarHBondContact O-N 2.93Å; F683-I686 HydrophobicContact CD1-CD1 4.1Å; F683-V779 HydrophobicContact CD1-CG1 4.39Å; F683-V779 HydrophobicContact CE1-CB 4.48Å; F683-V779 HydrophobicContact CE1-CG1 3.77Å; F683-V779 HydrophobicContact CE1-CG2 3.97Å
684S45.9Very low35.1Very low77 Ų7795.1 Ų95.154%0.53856%0.558SS.*Hα-helixtrans-70.6-33179.8490000113.3S680 L681 I686S680-S684 WeakPolarHBondContact O-CB 3.4Å; S680-S684 PolarHBondContact O-N 3.45Å; S680-S684 PolarHBondContact O-OG 2.69Å; L681-S684 WeakPolarHBondContact CA-OG 3.42Å; L681-S684 PolarHBondContact O-OG 2.89Å; S684-I686 VanDerWaalsContact C-N 3.33Å; S684-I686 PolarHBondContact O-N 2.65Å
685N45.3Very low35.4Very low67 Ų6791.1 Ų91.136%0.35854%0.541SS..Hα-helixtrans-72.8-20.3178.5-75.6-15.7000114.2L681 G687 G688L681-N685 PolarHBondContact O-N 3.32Å; L681-N685 PolarHBondContact O-ND2 3.22Å; N685-G687 VanDerWaalsContact C-N 3.27Å; N685-G687 PolarHBondContact O-N 3.36Å; N685-G688 PolarHBondContact O-N 3.1Å
686I39.3Very low35.7Very low43 Ų4383 Ų8322%0.22152%0.52CS..G310 helixtrans-62.8-33.8-179.9-65.6165.2000111.7V682 F683 S684 G688 A753 I757 V779 A783V682-I686 WeakPolarHBondContact O-CG1 3.49Å; F683-I686 HydrophobicContact CD1-CD1 4.1Å; S684-I686 VanDerWaalsContact C-N 3.33Å; S684-I686 PolarHBondContact O-N 2.65Å; I686-G688 VanDerWaalsContact C-N 3.25Å; I686-G688 PolarHBondContact O-N 2.9Å; I686-A753 HydrophobicContact CG1-CB 4.38Å; I686-I757 HydrophobicContact CD1-CD1 3.64Å; I686-I757 HydrophobicContact CG1-CD1 4.39Å; I686-V779 HydrophobicContact CD1-CG1 4.08Å; I686-A783 HydrophobicContact CG2-CB 3.94Å
687G30.8Very low36.1Very low73 Ų7382.1 Ų82.175%0.75350%0.504SS*.G310 helixtrans-67.4-20-17800000114.9N685N685-G687 VanDerWaalsContact C-N 3.27Å; N685-G687 PolarHBondContact O-N 3.36Å
688G29.1Very low36.3Very low67 Ų6777.7 Ų77.769%0.69148%0.48SS*.G310 helixtrans-100.3-17.3-174.200000116N685 I686N685-G688 PolarHBondContact O-N 3.1Å; I686-G688 VanDerWaalsContact C-N 3.25Å; I686-G688 PolarHBondContact O-N 2.9Å
689M32.3Very low36.1Very low88 Ų8877.2 Ų77.243%0.43348%0.479SS..  trans-1026-168-66.2-163.873.300115.3S691M689-S691 PolarHBondContact O-N 3.23Å
690A28Very low36.3Very low96 Ų9674.3 Ų74.379%0.79346%0.463SS*.THydrogen-bonded Turntrans-68.88-169.200000116.4
691S27.7Very low36.2Very low89 Ų8975 Ų7562%0.62246%0.458SS*.THydrogen-bonded Turntrans-109.3-12.4-169.953.20000118.2M689M689-S691 PolarHBondContact O-N 3.23Å
692H28.5Very low36.1Very low172 Ų17270.9 Ų70.980%0.79644%0.436SS*.SBendtrans-146.918.6-172.9-76.8-70.3000118.9S694H692-S694 PolarHBondContact O-N 3.06Å
693Q29.4Very low36.1Very low116 Ų11671.2 Ų71.254%0.54244%0.44SS..  trans-95.179.7170.2-70-176.1-1.300110.6S695Q693-S695 PolarHBondContact O-N 3.48Å
694S28.3Very low36.3Very low62 Ų6268.2 Ų68.243%0.43443%0.427SS..  trans-65.9122.5166.451.50000110.1H692H692-S694 PolarHBondContact O-N 3.06Å
695S29.9Very low36.1Very low59 Ų5966.1 Ų66.141%0.41341%0.41SS..SBendtrans65.3119.6143.6-46.20000118.5Q693Q693-S695 PolarHBondContact O-N 3.48Å
696S33.9Very low35.9Very low75 Ų7565.5 Ų65.552%0.52441%0.406SS..SBendtrans73.7141.7163.766.40000117.8M698S696-M698 PolarHBondContact O-N 3.16Å
697E35.8Very low35.8Very low54 Ų5466 Ų6625%0.25241%0.413SS..THydrogen-bonded Turntrans-42.6119.9168.2-58.3-177.2162.300109.4S699 S789 E818E697-S699 PolarHBondContact O-N 2.99Å; E697-S789 VanDerWaalsContact OE1-CA 3.25Å; E697-S789 WeakPolarHBondContact OE1-CA 3.35Å; E697-S789 WeakPolarHBondContact OE1-CB 3.4Å; E697-S789 PolarHBondContact OE1-N 3.44Å; E697-S789 PolarHBondContact OE1-OG 3.37Å; E697-E818 WeakPolarHBondContact CG-OE1 3.09Å
698M38.9Very low35.9Very low41 Ų4168.1 Ų68.120%0.20242%0.415CS..THydrogen-bonded Turntrans41.275.7170.6-70-166.6-69.400114.8S696 L700 E725 E728S696-M698 PolarHBondContact O-N 3.16Å; M698-L700 HydrophobicContact CB-CD2 3.95Å; M698-L700 HydrophobicContact CB-CG 3.95Å; M698-L700 HydrophobicContact CG-CD2 4.14Å; M698-L700 PolarHBondContact O-N 3.38Å; M698-L700 HydrophobicContact SD-CD2 3.7Å; M698-L700 HydrophobicContact SD-CG 4.49Å; M698-E725 WeakPolarHBondContact CE-OE1 3.46Å; M698-E725 HydrophobicContact SD-CG 4.16Å; M698-E728 WeakPolarHBondContact CE-OE1 3.28Å; M698-E728 WeakPolarHBondContact CE-OE2 3.21Å
699S38.4Very low36.5Very low65 Ų6567.9 Ų67.946%0.45541%0.407SS..  trans-65.886.2145.2-71.90000106.6E697 H701E697-S699 PolarHBondContact O-N 2.99Å; S699-H701 PolarHBondContact O-CD2 3.28Å; S699-H701 PolarHBondContact O-N 3.27Å
700L42Very low37.2Very low12 Ų1265.1 Ų65.16%0.06340%0.395CS..  trans-61.2112.2-176.8-71.7169.3000109.4L591 M698 F702 E725 I862L591-L700 HydrophobicContact CD2-CD1 3.63Å; M698-L700 HydrophobicContact CB-CD2 3.95Å; M698-L700 HydrophobicContact CB-CG 3.95Å; M698-L700 HydrophobicContact CG-CD2 4.14Å; M698-L700 PolarHBondContact O-N 3.38Å; M698-L700 HydrophobicContact SD-CD2 3.7Å; M698-L700 HydrophobicContact SD-CG 4.49Å; L700-F702 HydrophobicContact CB-CD2 3.54Å; L700-F702 HydrophobicContact CB-CE2 3.9Å; L700-F702 HydrophobicContact CD1-CD2 3.89Å; L700-F702 HydrophobicContact CD1-CE2 3.6Å; L700-F702 HydrophobicContact CD2-CD2 4.29Å; L700-F702 HydrophobicContact CD2-CE2 3.76Å; L700-F702 HydrophobicContact CG-CD2 4.1Å; L700-F702 HydrophobicContact CG-CE2 3.95Å; L700-F702 PolarHBondContact O-N 2.89Å; L700-E725 WeakPolarHBondContact CD1-OE1 3.49Å; L700-E725 HydrophobicContact CD2-CG 4.2Å; L700-I862 HydrophobicContact CB-CG1 4.12Å; L700-I862 HydrophobicContact CD1-CD1 3.26Å; L700-I862 HydrophobicContact CD1-CG1 3.49Å; L700-I862 VanDerWaalsContact CD1-CG1 3.49Å; L700-I862 HydrophobicContact CG-CD1 4.49Å; L700-I862 HydrophobicContact CG-CG1 4.27Å
701H45.5Very low38.4Very low87 Ų8763.6 Ų63.640%0.40338%0.376SS..  trans-74.340.4175.8-72.7-99.7000112S699 S703 E704S699-H701 PolarHBondContact O-CD2 3.28Å; S699-H701 PolarHBondContact O-N 3.27Å; H701-S703 PolarHBondContact O-N 3.19Å; H701-E704 HydrophobicContact CB-CB 4.5Å; H701-E704 HydrophobicContact CB-CG 4.05Å; H701-E704 IonicContact CE1-OE1 3.79Å; H701-E704 IonicContact CG-OE1 2.84Å; H701-E704 IonicContact ND1-OE1 3.68Å; H701-E704 PolarHBondContact ND1-OE1 2.86Å; H701-E704 WeakPolarHBondContact O-CB 3.38Å; H701-E704 PolarHBondContact O-N 2.99Å
702F46.8Very low40Very low12 Ų1264.4 Ų64.45%0.05338%0.377CS..THydrogen-bonded Turntrans-65-24.6178.3-83.8-62.2000112.6S587 L591 L700 E704 L705 I722S587-F702 WeakPolarHBondContact OG-CB 3.46Å; S587-F702 WeakPolarHBondContact OG-CD1 3.33Å; L591-F702 HydrophobicContact CD2-CD2 4.35Å; L591-F702 HydrophobicContact CD2-CE2 3.5Å; L591-F702 HydrophobicContact CD2-CZ 4.07Å; L700-F702 HydrophobicContact CB-CD2 3.54Å; L700-F702 HydrophobicContact CB-CE2 3.9Å; L700-F702 HydrophobicContact CD1-CD2 3.89Å; L700-F702 HydrophobicContact CD1-CE2 3.6Å; L700-F702 HydrophobicContact CD2-CD2 4.29Å; L700-F702 HydrophobicContact CD2-CE2 3.76Å; L700-F702 HydrophobicContact CG-CD2 4.1Å; L700-F702 HydrophobicContact CG-CE2 3.95Å; L700-F702 PolarHBondContact O-N 2.89Å; F702-E704 PolarHBondContact O-N 3Å; F702-L705 HydrophobicContact CD1-CD1 3.59Å; F702-L705 HydrophobicContact CE1-CD1 4.03Å; F702-L705 WeakPolarHBondContact O-CB 2.99Å; F702-L705 PolarHBondContact O-N 3.17Å; F702-L705 VanDerWaalsContact O-N 3.08Å; F702-I722 HydrophobicContact CE1-CD1 4.42Å; F702-I722 HydrophobicContact CE1-CG1 3.85Å; F702-I722 HydrophobicContact CZ-CG1 4.19Å
703S43.4Very low41.5Very low28 Ų2863 Ų6320%0.19637%0.371CS..Hα-helixtrans-61.9-29.1171500000113.1H701 L705 N706H701-S703 PolarHBondContact O-N 3.19Å; S703-L705 PolarHBondContact O-N 2.87Å; S703-N706 PolarHBondContact O-N 3.39Å
704E43.2Very low43Very low49 Ų4957.9 Ų57.923%0.22935%0.348CS..Hα-helixtrans-65.7-21.8176.5-65-175.6-173.400111.7H701 F702 V710 A714 R717H701-E704 HydrophobicContact CB-CB 4.5Å; H701-E704 HydrophobicContact CB-CG 4.05Å; H701-E704 IonicContact CE1-OE1 3.79Å; H701-E704 IonicContact CG-OE1 2.84Å; H701-E704 IonicContact ND1-OE1 3.68Å; H701-E704 PolarHBondContact ND1-OE1 2.86Å; H701-E704 WeakPolarHBondContact O-CB 3.38Å; H701-E704 PolarHBondContact O-N 2.99Å; F702-E704 PolarHBondContact O-N 3Å; E704-V710 WeakPolarHBondContact O-CG2 3.42Å; E704-A714 HydrophobicContact CB-CB 4.49Å; E704-A714 VanDerWaalsContact OE2-CB 3.24Å; E704-A714 WeakPolarHBondContact OE2-CB 3.33Å; E704-R717 IonicContact OE1-NH2 3.06Å; E704-R717 PolarHBondContact OE1-NH2 3.14Å; E704-R717 IonicContact OE2-CZ 3.53Å; E704-R717 IonicContact OE2-NE 2.61Å; E704-R717 IonicContact OE2-NH2 3.49Å; E704-R717 PolarHBondContact OE2-NH2 3.04Å
705L41.3Very low44.6Very low34 Ų3458.8 Ų58.818%0.17834%0.341CS..Hα-helixtrans-81.8-18.4177.1-73.1155.7000113.7F702 S703F702-L705 HydrophobicContact CD1-CD1 3.59Å; F702-L705 HydrophobicContact CE1-CD1 4.03Å; F702-L705 WeakPolarHBondContact O-CB 2.99Å; F702-L705 PolarHBondContact O-N 3.17Å; F702-L705 VanDerWaalsContact O-N 3.08Å; S703-L705 PolarHBondContact O-N 2.87Å
706N41.7Very low46.4Very low53 Ų5359.3 Ų59.328%0.28334%0.339SS..Hα-helixtrans-81-23.8179.1-75.2-10.9000112.7H586 S703 C708H586-N706 PolarHBondContact ND1-ND2 2.89Å; S703-N706 PolarHBondContact O-N 3.39Å; N706-C708 PolarHBondContact O-N 3.32Å
707C36Very low47.9Very low54 Ų5460.2 Ų60.237%0.36533%0.331SS..SBendtrans-81.3121.4179.9-690000110.8A709 V710C707-A709 PolarHBondContact O-N 3.41Å; C707-V710 WeakPolarHBondContact O-CG2 3.46Å; C707-V710 PolarHBondContact O-N 3.09Å
708C34.3Very low49.5Very low117 Ų11757.9 Ų57.979%0.79132%0.322SS*.THydrogen-bonded Turntrans-59.812.5175.3-63.70000116.1L624 N706L624-C708 WeakPolarHBondContact CD2-O 3.33Å; N706-C708 PolarHBondContact O-N 3.32Å
709A40.3Very low51Low62 Ų6257.4 Ų57.451%0.51232%0.319SS..THydrogen-bonded Turntrans-133.535.7-176.100000112.8C707 T711C707-A709 PolarHBondContact O-N 3.41Å; A709-T711 PolarHBondContact O-N 2.8Å
710V48.6Very low52.8Low30 Ų3054.3 Ų54.318%0.18230%0.297CS..  trans-64.5125.2179.7-162.70000110.3L624 E704 C707 A714 R715L624-V710 HydrophobicContact CD1-CB 4.35Å; L624-V710 HydrophobicContact CD1-CG2 4.28Å; E704-V710 WeakPolarHBondContact O-CG2 3.42Å; C707-V710 WeakPolarHBondContact O-CG2 3.46Å; C707-V710 PolarHBondContact O-N 3.09Å; V710-A714 VanDerWaalsContact CG1-C 3.5Å; V710-A714 HydrophobicContact CG1-CB 3.29Å; V710-R715 HydrophobicContact CG1-CB 4.19Å; V710-R715 VanDerWaalsContact CG1-N 3.29Å
711T53.2Low54.4Low64 Ų6454 Ų5439%0.39330%0.296SS..  trans-59.915616860.60000110A709 E713 A714 R715A709-T711 PolarHBondContact O-N 2.8Å; T711-E713 PolarHBondContact O-N 2.97Å; T711-E713 VanDerWaalsContact O-N 3.14Å; T711-A714 PolarHBondContact O-N 3.37Å; T711-A714 VanDerWaalsContact O-N 3.13Å; T711-A714 WeakPolarHBondContact OG1-CB 3.46Å; T711-A714 PolarHBondContact OG1-N 2.86Å; T711-R715 PolarHBondContact O-N 2.97Å
712V61.5Low56Low106 Ų10649.9 Ų49.964%0.64228%0.277SS*.Hα-helixtrans-53.5-36.9175.4176.50000110.9R715 L716V712-R715 WeakPolarHBondContact O-CB 3.41Å; V712-R715 PolarHBondContact O-N 3.38Å; V712-L716 HydrophobicContact CG1-CD1 4.02Å; V712-L716 HydrophobicContact CG1-CG 4.43Å; V712-L716 VanDerWaalsContact O-CG 3.28Å; V712-L716 WeakPolarHBondContact O-CG 3.37Å; V712-L716 PolarHBondContact O-N 2.69Å
713E58.8Low57.7Low144 Ų14450.6 Ų50.667%0.67328%0.279SS*.Hα-helixtrans-65.8-46.6177.3-65.4179.5176.300113.3T711 R715 L716 R717T711-E713 PolarHBondContact O-N 2.97Å; T711-E713 VanDerWaalsContact O-N 3.14Å; E713-R715 VanDerWaalsContact C-N 3.25Å; E713-R715 PolarHBondContact O-N 3.43Å; E713-L716 PolarHBondContact O-N 3.05Å; E713-R717 WeakPolarHBondContact O-CG 3.34Å; E713-R717 PolarHBondContact O-N 3.14Å
714A60.6Low59.7Low7 Ų749.3 Ų49.36%0.05827%0.27CS..Hα-helixtrans-64.8-32.3176.800000111.7E704 V710 T711 R717 G718E704-A714 HydrophobicContact CB-CB 4.49Å; E704-A714 VanDerWaalsContact OE2-CB 3.24Å; E704-A714 WeakPolarHBondContact OE2-CB 3.33Å; V710-A714 VanDerWaalsContact CG1-C 3.5Å; V710-A714 HydrophobicContact CG1-CB 3.29Å; T711-A714 PolarHBondContact O-N 3.37Å; T711-A714 VanDerWaalsContact O-N 3.13Å; T711-A714 WeakPolarHBondContact OG1-CB 3.46Å; T711-A714 PolarHBondContact OG1-N 2.86Å; A714-R717 PolarHBondContact O-N 2.92Å; A714-G718 PolarHBondContact O-N 2.84Å
715R62.8Low61.6Low81 Ų8147.1 Ų47.131%0.30626%0.26SS..Hα-helixtrans-64.6-49.2172175.6-175.6171.3-166.8-4.7111.9W617 V710 T711 V712 E713 R717 G718 E719W617-R715 HydrophobicContact CZ2-CG 4.33Å; V710-R715 HydrophobicContact CG1-CB 4.19Å; V710-R715 VanDerWaalsContact CG1-N 3.29Å; T711-R715 PolarHBondContact O-N 2.97Å; V712-R715 WeakPolarHBondContact O-CB 3.41Å; V712-R715 PolarHBondContact O-N 3.38Å; E713-R715 VanDerWaalsContact C-N 3.25Å; E713-R715 PolarHBondContact O-N 3.43Å; R715-R717 VanDerWaalsContact C-N 3.27Å; R715-R717 PolarHBondContact O-N 3.3Å; R715-G718 PolarHBondContact O-N 3.18Å; R715-E719 PolarHBondContact O-N 3.43Å
716L67.1Low63.7Low70 Ų7045.7 Ų45.737%0.36625%0.253SS..Hα-helixtrans-62.1-38.3177.6-68.6169.9000110.4V712 E713 E719 S720 V749V712-L716 HydrophobicContact CG1-CD1 4.02Å; V712-L716 HydrophobicContact CG1-CG 4.43Å; V712-L716 VanDerWaalsContact O-CG 3.28Å; V712-L716 WeakPolarHBondContact O-CG 3.37Å; V712-L716 PolarHBondContact O-N 2.69Å; E713-L716 PolarHBondContact O-N 3.05Å; L716-E719 PolarHBondContact O-N 3.16Å; L716-S720 WeakPolarHBondContact O-CB 3.34Å; L716-S720 PolarHBondContact O-N 3.35Å; L716-V749 HydrophobicContact CB-CG1 3.69Å; L716-V749 HydrophobicContact CD2-CG1 3.83Å; L716-V749 HydrophobicContact CG-CG1 4.35Å; L716-V749 WeakPolarHBondContact O-CG1 3.47Å
717R66.1Low65.9Low94 Ų9443.1 Ų43.136%0.35524%0.239SC..Hα-helixtrans-60.3-45.1171.7-78.3-174.2-54.3-176.715.4113E704 E713 A714 R715 S721 S751E704-R717 IonicContact OE1-NH2 3.06Å; E704-R717 PolarHBondContact OE1-NH2 3.14Å; E704-R717 IonicContact OE2-CZ 3.53Å; E704-R717 IonicContact OE2-NE 2.61Å; E704-R717 IonicContact OE2-NH2 3.49Å; E704-R717 PolarHBondContact OE2-NH2 3.04Å; E713-R717 WeakPolarHBondContact O-CG 3.34Å; E713-R717 PolarHBondContact O-N 3.14Å; A714-R717 PolarHBondContact O-N 2.92Å; R715-R717 VanDerWaalsContact C-N 3.27Å; R715-R717 PolarHBondContact O-N 3.3Å; R717-S721 WeakPolarHBondContact O-CB 3.38Å; R717-S721 PolarHBondContact O-N 3.35Å; R717-S721 PolarHBondContact O-OG 3.08Å; R717-S751 WeakPolarHBondContact CA-OG 3.24Å
718G68.3Low68.4Low5 Ų541.7 Ų41.75%0.05223%0.227CC..Hα-helixtrans-63.1-42.2175.900000112.8A714 R715 S721 I722A714-G718 PolarHBondContact O-N 2.84Å; R715-G718 PolarHBondContact O-N 3.18Å; G718-S721 PolarHBondContact O-N 3.37Å; G718-I722 WeakPolarHBondContact O-CG1 3.49Å; G718-I722 PolarHBondContact O-N 2.92Å; G718-I722 VanDerWaalsContact O-N 3.09Å
719E71.1Confident70.8Confident31 Ų3136.1 Ų36.115%0.14519%0.19CC..Hα-helixtrans-61.2-50.4176.2-175172.8-172.800112W617 R715 L716 S721 I722 W723 V749W617-E719 HydrophobicContact CD2-CB 4.46Å; W617-E719 HydrophobicContact CD2-CG 4.38Å; W617-E719 HydrophobicContact CE3-CG 4.43Å; W617-E719 HydrophobicContact CH2-CB 4.02Å; W617-E719 HydrophobicContact CH2-CG 3.54Å; W617-E719 WeakPolarHBondContact CH2-OE1 3.13Å; W617-E719 WeakPolarHBondContact CH2-OE2 3.43Å; W617-E719 HydrophobicContact CZ2-CB 3.35Å; W617-E719 HydrophobicContact CZ2-CG 3.44Å; W617-E719 VanDerWaalsContact CZ2-CG 3.44Å; W617-E719 WeakPolarHBondContact CZ2-OE2 3.38Å; W617-E719 HydrophobicContact CZ3-CG 4.03Å; R715-E719 PolarHBondContact O-N 3.43Å; L716-E719 PolarHBondContact O-N 3.16Å; E719-S721 VanDerWaalsContact C-N 3.29Å; E719-S721 PolarHBondContact O-N 3.49Å; E719-I722 PolarHBondContact O-N 3.05Å; E719-W723 PolarHBondContact O-N 3.28Å; E719-W723 VanDerWaalsContact O-N 3.11Å; E719-V749 HydrophobicContact CB-CG1 4.22Å; E719-V749 HydrophobicContact CG-CG2 4.18Å
720S75.6Confident73Confident0 Ų033.7 Ų33.70%017%0.168CC..Hα-helixtrans-55.7-48.3176.4-165.90000109.8L716 I722 W723 L724 V749 S751L716-S720 WeakPolarHBondContact O-CB 3.34Å; L716-S720 PolarHBondContact O-N 3.35Å; S720-I722 VanDerWaalsContact C-N 3.33Å; S720-I722 PolarHBondContact O-N 3.31Å; S720-W723 PolarHBondContact O-N 3.36Å; S720-W723 VanDerWaalsContact O-N 3.16Å; S720-L724 WeakPolarHBondContact O-CB 3.47Å; S720-L724 WeakPolarHBondContact O-CG 3.48Å; S720-L724 PolarHBondContact O-N 3.11Å; S720-V749 PolarHBondContact OG-O 3.45Å; S720-S751 WeakPolarHBondContact CB-OG 3.34Å; S720-S751 PolarHBondContact OG-OG 3.26Å
721S76.5Confident74.9Confident5 Ų532.5 Ų32.54%0.03516%0.16CC..Hα-helixtrans-58-40.4179.9-54.30000113.3R717 G718 E719 L724 E725 Q752R717-S721 WeakPolarHBondContact O-CB 3.38Å; R717-S721 PolarHBondContact O-N 3.35Å; R717-S721 PolarHBondContact O-OG 3.08Å; G718-S721 PolarHBondContact O-N 3.37Å; E719-S721 VanDerWaalsContact C-N 3.29Å; E719-S721 PolarHBondContact O-N 3.49Å; S721-L724 PolarHBondContact O-N 2.94Å; S721-E725 WeakPolarHBondContact O-CG 3.44Å; S721-E725 PolarHBondContact O-N 2.78Å; S721-Q752 PolarHBondContact OG-NE2 2.68Å
722I78Confident76.3Confident2 Ų233.5 Ų33.51%0.0116%0.16CC..Hα-helixtrans-66.7-45.3177.7-68.2167.8000111.1L613 L614 W617 F702 G718 E719 S720 L724 E725 L726L613-I722 HydrophobicContact CD2-CG2 3.8Å; L613-I722 HydrophobicContact CG-CG2 3.89Å; L614-I722 HydrophobicContact CD2-CG2 3.93Å; W617-I722 HydrophobicContact CB-CD1 3.66Å; W617-I722 HydrophobicContact CG-CD1 3.67Å; F702-I722 HydrophobicContact CE1-CD1 4.42Å; F702-I722 HydrophobicContact CE1-CG1 3.85Å; F702-I722 HydrophobicContact CZ-CG1 4.19Å; G718-I722 WeakPolarHBondContact O-CG1 3.49Å; G718-I722 PolarHBondContact O-N 2.92Å; G718-I722 VanDerWaalsContact O-N 3.09Å; E719-I722 PolarHBondContact O-N 3.05Å; S720-I722 VanDerWaalsContact C-N 3.33Å; S720-I722 PolarHBondContact O-N 3.31Å; I722-L724 VanDerWaalsContact C-N 3.27Å; I722-L724 PolarHBondContact O-N 3.11Å; I722-E725 PolarHBondContact O-N 2.66Å; I722-L726 HydrophobicContact CG2-CD1 3.96Å; I722-L726 HydrophobicContact CG2-CG 4.39Å; I722-L726 WeakPolarHBondContact O-CB 3.2Å; I722-L726 VanDerWaalsContact O-CG 3.28Å; I722-L726 WeakPolarHBondContact O-CG 3.46Å; I722-L726 PolarHBondContact O-N 3.13Å
723W84Confident77.5Confident26 Ų2631.3 Ų31.310%0.09815%0.145CC..Hα-helixtrans-62-37.2177-73.7119.4000112.4L614 E719 S720 L726 A727 C742 E745 A746L614-W723 HydrophobicContact CD1-CH2 3.78Å; L614-W723 HydrophobicContact CD1-CZ3 3.88Å; L614-W723 HydrophobicContact CD2-CD2 4.22Å; L614-W723 HydrophobicContact CD2-CE3 4.21Å; L614-W723 HydrophobicContact CD2-CH2 3.8Å; L614-W723 HydrophobicContact CD2-CZ2 3.8Å; L614-W723 HydrophobicContact CD2-CZ3 4.01Å; L614-W723 HydrophobicContact CG-CH2 4.47Å; E719-W723 PolarHBondContact O-N 3.28Å; E719-W723 VanDerWaalsContact O-N 3.11Å; S720-W723 PolarHBondContact O-N 3.36Å; S720-W723 VanDerWaalsContact O-N 3.16Å; W723-L726 HydrophobicContact CE3-CD1 4.2Å; W723-L726 HydrophobicContact CZ3-CD1 4.44Å; W723-A727 VanDerWaalsContact O-CB 3.3Å; W723-A727 WeakPolarHBondContact O-CB 3.23Å; W723-A727 PolarHBondContact O-N 3.1Å; W723-C742 HydrophobicContact CE3-CB 4.07Å; W723-E745 HydrophobicContact CD2-CB 3.92Å; W723-E745 HydrophobicContact CE3-CB 4.38Å; W723-E745 HydrophobicContact CG-CB 4.29Å; W723-E745 HydrophobicContact CH2-CB 4.43Å; W723-E745 HydrophobicContact CH2-CG 4.19Å; W723-E745 HydrophobicContact CZ2-CB 3.97Å; W723-E745 HydrophobicContact CZ2-CG 4.02Å; W723-A746 HydrophobicContact CB-CB 3.92Å
724L85Confident78.7Confident1 Ų126.8 Ų26.81%0.00514%0.137CC..Hα-helixtrans-67.9-43.4178.2-65172.7000111.7S720 S721 I722 A727 E728 A746 Q752 H755 I756 L759S720-L724 WeakPolarHBondContact O-CB 3.47Å; S720-L724 WeakPolarHBondContact O-CG 3.48Å; S720-L724 PolarHBondContact O-N 3.11Å; S721-L724 PolarHBondContact O-N 2.94Å; I722-L724 VanDerWaalsContact C-N 3.27Å; I722-L724 PolarHBondContact O-N 3.11Å; L724-A727 PolarHBondContact O-N 3.06Å; L724-E728 WeakPolarHBondContact O-CG 3.49Å; L724-E728 PolarHBondContact O-N 3.13Å; L724-A746 HydrophobicContact CD2-CB 3.96Å; L724-A746 HydrophobicContact CG-CB 4.45Å; L724-Q752 HydrophobicContact CD1-CB 3.87Å; L724-Q752 HydrophobicContact CD1-CG 4.39Å; L724-H755 HydrophobicContact CD1-CB 4.2Å; L724-I756 HydrophobicContact CD2-CG1 3.73Å; L724-L759 HydrophobicContact CB-CD1 4.15Å; L724-L759 HydrophobicContact CD2-CD1 3.37Å; L724-L759 HydrophobicContact CD2-CG 4.5Å; L724-L759 HydrophobicContact CG-CD1 4.33Å
725E82.7Confident79.9Confident4 Ų428.5 Ų28.52%0.01914%0.144CC..Hα-helixtrans-64-42.5174.1-78.1-68.917200112.6L591 R595 M698 L700 S721 I722 A727 E728 T729L591-E725 HydrophobicContact CD1-CB 3.83Å; L591-E725 HydrophobicContact CD1-CG 3.97Å; L591-E725 HydrophobicContact CD2-CG 4.08Å; R595-E725 IonicContact CZ-OE2 3.03Å; R595-E725 IonicContact NE-OE2 3.93Å; R595-E725 PolarHBondContact NE-OE2 3.45Å; R595-E725 IonicContact NH2-OE2 2.86Å; R595-E725 PolarHBondContact NH2-OE2 3.46Å; M698-E725 WeakPolarHBondContact CE-OE1 3.46Å; M698-E725 HydrophobicContact SD-CG 4.16Å; L700-E725 WeakPolarHBondContact CD1-OE1 3.49Å; L700-E725 HydrophobicContact CD2-CG 4.2Å; S721-E725 WeakPolarHBondContact O-CG 3.44Å; S721-E725 PolarHBondContact O-N 2.78Å; I722-E725 PolarHBondContact O-N 2.66Å; E725-A727 PolarHBondContact O-N 3.3Å; E725-E728 PolarHBondContact O-N 2.98Å; E725-T729 WeakPolarHBondContact O-CG2 3.24Å; E725-T729 PolarHBondContact O-N 3.03Å; E725-T729 PolarHBondContact O-OG1 2.69Å
726L85Confident81.1Confident3 Ų327 Ų272%0.01614%0.144CC..Hα-helixtrans-60.5-45.9173.5-74.4174.5000111.4L594 A610 L614 I722 W723 E728 T729 L730L594-L726 HydrophobicContact CD1-CD2 4.41Å; L594-L726 HydrophobicContact CD2-CD2 3.65Å; A610-L726 HydrophobicContact CB-CD2 3.31Å; L614-L726 HydrophobicContact CD1-CD1 3.82Å; L614-L726 HydrophobicContact CD2-CD1 3.68Å; L614-L726 HydrophobicContact CG-CD1 3.66Å; I722-L726 HydrophobicContact CG2-CD1 3.96Å; I722-L726 HydrophobicContact CG2-CG 4.39Å; I722-L726 WeakPolarHBondContact O-CB 3.2Å; I722-L726 VanDerWaalsContact O-CG 3.28Å; I722-L726 WeakPolarHBondContact O-CG 3.46Å; I722-L726 PolarHBondContact O-N 3.13Å; W723-L726 HydrophobicContact CE3-CD1 4.2Å; W723-L726 HydrophobicContact CZ3-CD1 4.44Å; L726-E728 VanDerWaalsContact C-N 3.32Å; L726-E728 PolarHBondContact O-N 3.45Å; L726-T729 WeakPolarHBondContact CA-OG1 3.47Å; L726-T729 PolarHBondContact O-N 2.95Å; L726-T729 PolarHBondContact O-OG1 3.04Å; L726-L730 WeakPolarHBondContact O-CB 3.23Å; L726-L730 VanDerWaalsContact O-CG 3.23Å; L726-L730 WeakPolarHBondContact O-CG 3.36Å; L726-L730 PolarHBondContact O-N 2.87Å
727A88Confident82Confident0 Ų030.8 Ų30.80%016%0.16CC..Hα-helixtrans-61.3-39.2175.900000112.1W723 L724 E725 L731 V739 C742 L759W723-A727 VanDerWaalsContact O-CB 3.3Å; W723-A727 WeakPolarHBondContact O-CB 3.23Å; W723-A727 PolarHBondContact O-N 3.1Å; L724-A727 PolarHBondContact O-N 3.06Å; E725-A727 PolarHBondContact O-N 3.3Å; A727-L731 VanDerWaalsContact O-CB 3.25Å; A727-L731 WeakPolarHBondContact O-CB 3.49Å; A727-L731 WeakPolarHBondContact O-CG 3.43Å; A727-L731 PolarHBondContact O-N 2.91Å; A727-V739 HydrophobicContact CB-CG1 4.46Å; A727-C742 HydrophobicContact CB-CB 3.89Å; A727-L759 HydrophobicContact CB-CD1 3.73Å
728E88.1Confident83Confident23 Ų2329.4 Ų29.411%0.10716%0.157CC..Hα-helixtrans-63.2-46174.7-76.3-169179.900113R595 M698 L724 E725 L726 L731 E732 H755 L759R595-E728 IonicContact NH2-OE2 3.93Å; R595-E728 PolarHBondContact NH2-OE2 3.25Å; M698-E728 WeakPolarHBondContact CE-OE1 3.28Å; M698-E728 WeakPolarHBondContact CE-OE2 3.21Å; L724-E728 WeakPolarHBondContact O-CG 3.49Å; L724-E728 PolarHBondContact O-N 3.13Å; E725-E728 PolarHBondContact O-N 2.98Å; L726-E728 VanDerWaalsContact C-N 3.32Å; L726-E728 PolarHBondContact O-N 3.45Å; E728-L731 WeakPolarHBondContact O-CB 3.35Å; E728-L731 PolarHBondContact O-N 3.48Å; E728-E732 PolarHBondContact O-N 3.39Å; E728-E732 VanDerWaalsContact O-N 3.07Å; E728-H755 IonicContact OE1-CE1 2.76Å; E728-H755 PolarHBondContact OE1-CE1 2.67Å; E728-H755 VanDerWaalsContact OE1-CE1 3.24Å; E728-H755 IonicContact OE1-NE2 3.56Å; E728-H755 PolarHBondContact OE1-NE2 2.93Å; E728-L759 HydrophobicContact CG-CD2 3.63Å
729T85.5Confident83.8Confident1 Ų129.1 Ų29.11%0.00616%0.155CC..Hα-helixtrans-64.6-41.2177.9550000112.2L594 R595 E725 L726 E732 L733L594-T729 HydrophobicContact CD2-CG2 3.93Å; L594-T729 HydrophobicContact CG-CG2 4.27Å; R595-T729 HydrophobicContact CG-CG2 4.35Å; E725-T729 WeakPolarHBondContact O-CG2 3.24Å; E725-T729 PolarHBondContact O-N 3.03Å; E725-T729 PolarHBondContact O-OG1 2.69Å; L726-T729 WeakPolarHBondContact CA-OG1 3.47Å; L726-T729 PolarHBondContact O-N 2.95Å; L726-T729 PolarHBondContact O-OG1 3.04Å; T729-E732 PolarHBondContact O-N 2.69Å; T729-L733 WeakPolarHBondContact O-CG 3.42Å; T729-L733 PolarHBondContact O-N 2.94Å
730L86.7Confident84.7Confident10 Ų1029.2 Ų29.25%0.05216%0.16CC..Hα-helixtrans-69.8-31.8176.4-67.1170.9000112.7L726 L733 G734 M735 E738 V739L726-L730 WeakPolarHBondContact O-CB 3.23Å; L726-L730 VanDerWaalsContact O-CG 3.23Å; L726-L730 WeakPolarHBondContact O-CG 3.36Å; L726-L730 PolarHBondContact O-N 2.87Å; L730-L733 CarbonylContact O-C 3.46Å; L730-L733 PolarHBondContact O-N 3.22Å; L730-G734 PolarHBondContact O-N 2.9Å; L730-G734 VanDerWaalsContact O-N 3.14Å; L730-M735 HydrophobicContact CD2-SD 3.96Å; L730-M735 PolarHBondContact O-N 2.88Å; L730-M735 VanDerWaalsContact O-N 3.12Å; L730-E738 HydrophobicContact CD1-CB 3.98Å; L730-V739 HydrophobicContact CB-CG2 3.61Å
731L87.9Confident85.3Confident6 Ų635.2 Ų35.23%0.03119%0.187CC..Hα-helixtrans-64.2-40.4171.4-83.1170.2000111.6A727 E728 L733 G734 V739 L759 R762 L766A727-L731 VanDerWaalsContact O-CB 3.25Å; A727-L731 WeakPolarHBondContact O-CB 3.49Å; A727-L731 WeakPolarHBondContact O-CG 3.43Å; A727-L731 PolarHBondContact O-N 2.91Å; E728-L731 WeakPolarHBondContact O-CB 3.35Å; E728-L731 PolarHBondContact O-N 3.48Å; L731-L733 PolarHBondContact O-N 3.48Å; L731-G734 PolarHBondContact O-N 3.14Å; L731-G734 VanDerWaalsContact O-N 3.14Å; L731-V739 HydrophobicContact CB-CG2 4.36Å; L731-V739 HydrophobicContact CD1-CG1 4.22Å; L731-V739 HydrophobicContact CD2-CB 4.35Å; L731-V739 HydrophobicContact CD2-CG1 3.75Å; L731-V739 HydrophobicContact CD2-CG2 3.97Å; L731-V739 HydrophobicContact CG-CB 4.35Å; L731-V739 HydrophobicContact CG-CG1 3.71Å; L731-V739 HydrophobicContact CG-CG2 3.69Å; L731-L759 HydrophobicContact CD1-CD2 3.74Å; L731-R762 HydrophobicContact CD1-CB 3.9Å; L731-R762 HydrophobicContact CD2-CB 4.44Å; L731-L766 HydrophobicContact CD2-CD1 3.43Å; L731-L766 VanDerWaalsContact CD2-CD1 3.43Å; L731-L766 HydrophobicContact CD2-CG 4.47Å
732E84.1Confident85.8Confident84 Ų8435.5 Ų35.539%0.39319%0.188SC..Hα-helixtrans-62.4-29.9174.1-74.4-179.1-146.900112.2R595 K599 E728 T729R595-E732 IonicContact NH1-OE1 2.69Å; R595-E732 PolarHBondContact NH1-OE1 2.82Å; K599-E732 IonicContact NZ-OE2 3.07Å; K599-E732 PolarHBondContact NZ-OE2 3.47Å; E728-E732 PolarHBondContact O-N 3.39Å; E728-E732 VanDerWaalsContact O-N 3.07Å; T729-E732 PolarHBondContact O-N 2.69Å
733L85Confident86.2Confident61 Ų6135.9 Ų35.932%0.31919%0.19SC..THydrogen-bonded Turntrans-84.3-7.3175.9-64.4172.8000114V606 T729 L730 L731 M735V606-L733 HydrophobicContact CB-CD1 4.18Å; V606-L733 HydrophobicContact CG1-CD1 3.9Å; V606-L733 HydrophobicContact CG2-CD1 4.23Å; T729-L733 WeakPolarHBondContact O-CG 3.42Å; T729-L733 PolarHBondContact O-N 2.94Å; L730-L733 CarbonylContact O-C 3.46Å; L730-L733 PolarHBondContact O-N 3.22Å; L731-L733 PolarHBondContact O-N 3.48Å; L733-M735 HydrophobicContact CB-CG 4.39Å
734G84.9Confident86.4Confident48 Ų4838.5 Ų38.550%0.49521%0.206SC..THydrogen-bonded Turntrans80.517.5177.800000115.4L730 L731 T736L730-G734 PolarHBondContact O-N 2.9Å; L730-G734 VanDerWaalsContact O-N 3.14Å; L731-G734 PolarHBondContact O-N 3.14Å; L731-G734 VanDerWaalsContact O-N 3.14Å; G734-T736 PolarHBondContact O-N 3.16Å
735M85.7Confident86.4Confident44 Ų4441.8 Ų41.822%0.21722%0.222CC..  trans-91.883.6-174.5-65.5-178.982.500113.4H603 L730 L733 E737 E738 V739H603-M735 WeakPolarHBondContact CE1-CE 3.36Å; H603-M735 PolarHBondContact CE1-SD 3.3Å; H603-M735 PolarHBondContact ND1-SD 3.5Å; H603-M735 WeakPolarHBondContact NE2-CE 3.33Å; H603-M735 PolarHBondContact NE2-SD 3.04Å; L730-M735 HydrophobicContact CD2-SD 3.96Å; L730-M735 PolarHBondContact O-N 2.88Å; L730-M735 VanDerWaalsContact O-N 3.12Å; L733-M735 HydrophobicContact CB-CG 4.39Å; M735-E737 PolarHBondContact O-N 2.88Å; M735-E738 HydrophobicContact CE-CG 3.86Å; M735-E738 VanDerWaalsContact CE-OE1 3.27Å; M735-E738 WeakPolarHBondContact CE-OE1 3.42Å; M735-E738 WeakPolarHBondContact CE-OE2 3.47Å; M735-E738 PolarHBondContact O-N 3.5Å; M735-V739 WeakPolarHBondContact O-CG2 3.32Å; M735-V739 PolarHBondContact O-N 2.97Å
736T87.4Confident86.4Confident49 Ų4941.6 Ų41.630%0.30122%0.221SC..Hα-helixtrans-64.6-36.9-171.256.70000114.2G734 A740 L763 L766G734-T736 PolarHBondContact O-N 3.16Å; T736-A740 PolarHBondContact O-N 3.47Å; T736-A740 VanDerWaalsContact O-N 3.13Å; T736-L763 HydrophobicContact CG2-CD1 4.05Å; T736-L766 HydrophobicContact CG2-CB 4.43Å
737E87Confident86.3Confident150 Ų15042.6 Ų42.670%0.70123%0.227SC*.Hα-helixtrans-69.8-38.1-179-66.1-172.4-178.900113.7M735 K741M735-E737 PolarHBondContact O-N 2.88Å; E737-K741 WeakPolarHBondContact O-CG 3.25Å; E737-K741 PolarHBondContact O-N 3.07Å
738E85.7Confident86Confident64 Ų6449.4 Ų49.430%0.29926%0.256SS..Hα-helixtrans-74.6-38.2178.8-63.2-168.617000111.3L730 M735 A740 K741 C742L730-E738 HydrophobicContact CD1-CB 3.98Å; M735-E738 HydrophobicContact CE-CG 3.86Å; M735-E738 VanDerWaalsContact CE-OE1 3.27Å; M735-E738 WeakPolarHBondContact CE-OE1 3.42Å; M735-E738 WeakPolarHBondContact CE-OE2 3.47Å; M735-E738 PolarHBondContact O-N 3.5Å; E738-A740 VanDerWaalsContact C-N 3.31Å; E738-A740 PolarHBondContact O-N 3.37Å; E738-K741 WeakPolarHBondContact O-CB 3.49Å; E738-K741 PolarHBondContact O-N 2.77Å; E738-K741 VanDerWaalsContact O-N 3.16Å; E738-C742 PolarHBondContact O-N 3.18Å; E738-C742 PolarHBondContact O-SG 3.18Å
739V87.1Confident85.2Confident0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-57.8-44.6173.21710000111A727 L730 L731 M735 K741 C742 I743 L763A727-V739 HydrophobicContact CB-CG1 4.46Å; L730-V739 HydrophobicContact CB-CG2 3.61Å; L731-V739 HydrophobicContact CB-CG2 4.36Å; L731-V739 HydrophobicContact CD1-CG1 4.22Å; L731-V739 HydrophobicContact CD2-CB 4.35Å; L731-V739 HydrophobicContact CD2-CG1 3.75Å; L731-V739 HydrophobicContact CD2-CG2 3.97Å; L731-V739 HydrophobicContact CG-CB 4.35Å; L731-V739 HydrophobicContact CG-CG1 3.71Å; L731-V739 HydrophobicContact CG-CG2 3.69Å; M735-V739 WeakPolarHBondContact O-CG2 3.32Å; M735-V739 PolarHBondContact O-N 2.97Å; V739-K741 VanDerWaalsContact C-N 3.3Å; V739-K741 PolarHBondContact O-N 2.96Å; V739-C742 PolarHBondContact O-N 3.38Å; V739-I743 HydrophobicContact CG1-CD1 3.72Å; V739-I743 HydrophobicContact CG1-CG1 4.3Å; V739-I743 WeakPolarHBondContact O-CG1 3.39Å; V739-I743 PolarHBondContact O-N 3.48Å; V739-L763 HydrophobicContact CB-CD1 4.28Å; V739-L763 HydrophobicContact CG1-CD1 4.08Å
740A90.1Very high84.1Confident32 Ų3252 Ų5226%0.26428%0.277SS..Hα-helixtrans-57.3-43.8177.100000111.7T736 E738 I743 D744 L763T736-A740 PolarHBondContact O-N 3.47Å; T736-A740 VanDerWaalsContact O-N 3.13Å; E738-A740 VanDerWaalsContact C-N 3.31Å; E738-A740 PolarHBondContact O-N 3.37Å; A740-I743 PolarHBondContact O-N 3.28Å; A740-D744 VanDerWaalsContact O-CG 3.31Å; A740-D744 PolarHBondContact O-N 3.33Å; A740-L763 HydrophobicContact CB-CD2 4.01Å
741K87.9Confident83.2Confident127 Ų12752.3 Ų52.355%0.55228%0.28SS*.Hα-helixtrans-63.5-43176.3-64.6169.2-171.5164.80112E737 E738 V739 I743 D744 E745E737-K741 WeakPolarHBondContact O-CG 3.25Å; E737-K741 PolarHBondContact O-N 3.07Å; E738-K741 WeakPolarHBondContact O-CB 3.49Å; E738-K741 PolarHBondContact O-N 2.77Å; E738-K741 VanDerWaalsContact O-N 3.16Å; V739-K741 VanDerWaalsContact C-N 3.3Å; V739-K741 PolarHBondContact O-N 2.96Å; K741-I743 VanDerWaalsContact C-N 3.33Å; K741-I743 PolarHBondContact O-N 3.19Å; K741-D744 PolarHBondContact O-N 2.94Å; K741-E745 WeakPolarHBondContact O-CG 3.32Å; K741-E745 PolarHBondContact O-N 2.94Å
742C85.8Confident82.6Confident10 Ų1053.7 Ų53.77%0.06829%0.286CS..Hα-helixtrans-62.8-40.1176.5-68.20000111.9W723 A727 E738 V739 E745 A746W723-C742 HydrophobicContact CE3-CB 4.07Å; A727-C742 HydrophobicContact CB-CB 3.89Å; E738-C742 PolarHBondContact O-N 3.18Å; E738-C742 PolarHBondContact O-SG 3.18Å; V739-C742 PolarHBondContact O-N 3.38Å; C742-E745 PolarHBondContact O-N 2.8Å; C742-A746 WeakPolarHBondContact O-CB 3.43Å; C742-A746 PolarHBondContact O-N 2.95Å
743I87.3Confident82.5Confident10 Ų1050.3 Ų50.35%0.05127%0.272CS..Hα-helixtrans-64.8-44.9175.2-66.8168.8000110.4V739 A740 K741 E745 A746 V747 I756 L759 L763V739-I743 HydrophobicContact CG1-CD1 3.72Å; V739-I743 HydrophobicContact CG1-CG1 4.3Å; V739-I743 WeakPolarHBondContact O-CG1 3.39Å; V739-I743 PolarHBondContact O-N 3.48Å; A740-I743 PolarHBondContact O-N 3.28Å; K741-I743 VanDerWaalsContact C-N 3.33Å; K741-I743 PolarHBondContact O-N 3.19Å; I743-E745 VanDerWaalsContact C-N 3.31Å; I743-E745 PolarHBondContact O-N 3.41Å; I743-A746 CarbonylContact O-C 3.58Å; I743-A746 PolarHBondContact O-N 3.16Å; I743-A746 VanDerWaalsContact O-N 3.11Å; I743-V747 HydrophobicContact CG2-CG2 4.15Å; I743-V747 VanDerWaalsContact O-CG2 3.23Å; I743-V747 WeakPolarHBondContact O-CG2 3.24Å; I743-V747 PolarHBondContact O-N 3.45Å; I743-I756 HydrophobicContact CG2-CG2 4.31Å; I743-L759 HydrophobicContact CD1-CB 3.94Å; I743-L759 HydrophobicContact CG1-CB 4.11Å; I743-L763 HydrophobicContact CD1-CB 4.45Å; I743-L763 HydrophobicContact CD1-CD2 4.23Å
744D87.4Confident82.5Confident81 Ų8147.8 Ų47.843%0.43326%0.261SS..Hα-helixtrans-61.1-39.3178.3-72.3-23.9000112.1A740 K741 K748A740-D744 VanDerWaalsContact O-CG 3.31Å; A740-D744 PolarHBondContact O-N 3.33Å; K741-D744 PolarHBondContact O-N 2.94Å; D744-K748 WeakPolarHBondContact O-CG 3.4Å; D744-K748 PolarHBondContact O-N 3.48Å
745E84.6Confident82.6Confident70 Ų7046 Ų4633%0.32724%0.239SC..Hα-helixtrans-68.9-39.1172.5-64.5-54.1149.500112.1W723 K741 C742 I743 V747 K748W723-E745 HydrophobicContact CD2-CB 3.92Å; W723-E745 HydrophobicContact CE3-CB 4.38Å; W723-E745 HydrophobicContact CG-CB 4.29Å; W723-E745 HydrophobicContact CH2-CB 4.43Å; W723-E745 HydrophobicContact CH2-CG 4.19Å; W723-E745 HydrophobicContact CZ2-CB 3.97Å; W723-E745 HydrophobicContact CZ2-CG 4.02Å; K741-E745 WeakPolarHBondContact O-CG 3.32Å; K741-E745 PolarHBondContact O-N 2.94Å; C742-E745 PolarHBondContact O-N 2.8Å; I743-E745 VanDerWaalsContact C-N 3.31Å; I743-E745 PolarHBondContact O-N 3.41Å; E745-V747 PolarHBondContact O-N 3.32Å; E745-K748 PolarHBondContact O-N 3.02Å; E745-K748 IonicContact OE1-NZ 2.96Å; E745-K748 PolarHBondContact OE1-NZ 2.83Å; E745-K748 WeakPolarHBondContact OE2-CD 3.26Å; E745-K748 IonicContact OE2-NZ 2.87Å; E745-K748 PolarHBondContact OE2-NZ 3.2Å
746A82.3Confident82.7Confident0 Ų044.2 Ų44.20%023%0.231CC..Hα-helixtrans-65.6-36.5176.600000112.9W723 L724 C742 I743 K748 V749 I756W723-A746 HydrophobicContact CB-CB 3.92Å; L724-A746 HydrophobicContact CD2-CB 3.96Å; L724-A746 HydrophobicContact CG-CB 4.45Å; C742-A746 WeakPolarHBondContact O-CB 3.43Å; C742-A746 PolarHBondContact O-N 2.95Å; I743-A746 CarbonylContact O-C 3.58Å; I743-A746 PolarHBondContact O-N 3.16Å; I743-A746 VanDerWaalsContact O-N 3.11Å; A746-K748 VanDerWaalsContact C-N 3.32Å; A746-K748 PolarHBondContact O-N 3.46Å; A746-V749 CarbonylContact O-C 3.39Å; A746-V749 VanDerWaalsContact O-C 3.31Å; A746-V749 WeakPolarHBondContact O-CA 3.35Å; A746-V749 PolarHBondContact O-N 3.44Å; A746-I756 HydrophobicContact CB-CD1 4.45Å; A746-I756 HydrophobicContact CB-CG1 4.25Å
747V84.8Confident82.8Confident25 Ų2542.4 Ų42.415%0.15222%0.219CC..Hα-helixtrans-63.2-37.6177.6169.50000111.6V682 I743 E745 V749 I756V682-V747 HydrophobicContact CG2-CG1 3.78Å; V682-V747 HydrophobicContact CG2-CG2 4.16Å; I743-V747 HydrophobicContact CG2-CG2 4.15Å; I743-V747 VanDerWaalsContact O-CG2 3.23Å; I743-V747 WeakPolarHBondContact O-CG2 3.24Å; I743-V747 PolarHBondContact O-N 3.45Å; E745-V747 PolarHBondContact O-N 3.32Å; V747-V749 PolarHBondContact O-N 3.02Å; V747-I756 HydrophobicContact CG2-CG2 3.47Å; V747-I756 VanDerWaalsContact CG2-CG2 3.47Å
748K80.7Confident83.1Confident142 Ų14235.7 Ų35.762%0.61719%0.187SC*.Hα-helixtrans-61-25.8175.2-65170.2-160.9172.40111.8D744 E745 A746D744-K748 WeakPolarHBondContact O-CG 3.4Å; D744-K748 PolarHBondContact O-N 3.48Å; E745-K748 PolarHBondContact O-N 3.02Å; E745-K748 IonicContact OE1-NZ 2.96Å; E745-K748 PolarHBondContact OE1-NZ 2.83Å; E745-K748 WeakPolarHBondContact OE2-CD 3.26Å; E745-K748 IonicContact OE2-NZ 2.87Å; E745-K748 PolarHBondContact OE2-NZ 3.2Å; A746-K748 VanDerWaalsContact C-N 3.32Å; A746-K748 PolarHBondContact O-N 3.46Å
749V70.4Confident83.3Confident10 Ų1032.6 Ų32.66%0.06117%0.173CC..SBendtrans-107.377.3-176.3-1700000109L716 E719 S720 A746 V747 S751L716-V749 HydrophobicContact CB-CG1 3.69Å; L716-V749 HydrophobicContact CD2-CG1 3.83Å; L716-V749 HydrophobicContact CG-CG1 4.35Å; L716-V749 WeakPolarHBondContact O-CG1 3.47Å; E719-V749 HydrophobicContact CB-CG1 4.22Å; E719-V749 HydrophobicContact CG-CG2 4.18Å; S720-V749 PolarHBondContact OG-O 3.45Å; A746-V749 CarbonylContact O-C 3.39Å; A746-V749 VanDerWaalsContact O-C 3.31Å; A746-V749 WeakPolarHBondContact O-CA 3.35Å; A746-V749 PolarHBondContact O-N 3.44Å; V747-V749 PolarHBondContact O-N 3.02Å; V749-S751 PolarHBondContact O-N 2.94Å
750S62.8Low83.5Confident69 Ų6934.9 Ų34.948%0.48318%0.183SC..THydrogen-bonded Turntrans-5721-162.965.70000120.4
751S67.7Low83.6Confident16 Ų1633.4 Ų33.411%0.11217%0.17CC..THydrogen-bonded Turntrans-88.3-20.8-165.574.50000117.3R717 S720 V749R717-S751 WeakPolarHBondContact CA-OG 3.24Å; S720-S751 WeakPolarHBondContact CB-OG 3.34Å; S720-S751 PolarHBondContact OG-OG 3.26Å; V749-S751 PolarHBondContact O-N 2.94Å
752Q76.2Confident83.8Confident35 Ų3528.7 Ų28.716%0.16415%0.149CC..  trans-134.961.5-174.4-65.7-175.423.200112.3S721 L724 A754 H755 I756S721-Q752 PolarHBondContact OG-NE2 2.68Å; L724-Q752 HydrophobicContact CD1-CB 3.87Å; L724-Q752 HydrophobicContact CD1-CG 4.39Å; Q752-A754 VanDerWaalsContact C-N 3.33Å; Q752-A754 PolarHBondContact O-N 3.14Å; Q752-H755 HydrophobicContact CB-CB 4.44Å; Q752-H755 PolarHBondContact O-N 2.74Å; Q752-I756 VanDerWaalsContact O-CG1 3.31Å; Q752-I756 WeakPolarHBondContact O-CG1 3.46Å; Q752-I756 PolarHBondContact O-N 2.99Å; Q752-I756 VanDerWaalsContact O-N 3.11Å
753A81.6Confident84.1Confident13 Ų1329.2 Ų29.211%0.10715%0.151CC..Hα-helixtrans-54.4-43-174.600000113.9I686 H755 I756 I757I686-A753 HydrophobicContact CG1-CB 4.38Å; A753-H755 PolarHBondContact O-N 2.88Å; A753-I756 PolarHBondContact O-N 3.48Å; A753-I757 WeakPolarHBondContact O-CD1 3.38Å; A753-I757 WeakPolarHBondContact O-CG1 3.14Å; A753-I757 PolarHBondContact O-N 3.12Å
754A85.1Confident84.4Confident9 Ų932 Ų327%0.07416%0.161CC..Hα-helixtrans-62.7-41.5-17800000113.3Q752 Y758 T780 C784Q752-A754 VanDerWaalsContact C-N 3.33Å; Q752-A754 PolarHBondContact O-N 3.14Å; A754-Y758 PolarHBondContact O-N 3.04Å; A754-Y758 VanDerWaalsContact O-N 3.12Å; A754-T780 HydrophobicContact CB-CG2 4.33Å; A754-T780 WeakPolarHBondContact O-CG2 3.37Å; A754-T780 PolarHBondContact O-OG1 3.44Å; A754-C784 HydrophobicContact CB-CB 4.37Å
755H86.5Confident84.5Confident10 Ų1030.6 Ų30.65%0.04615%0.152CC..Hα-helixtrans-72.5-39.9179.2-167.9-77.2000111.3L724 E728 Q752 A753 I757 Y758 L759 Y787L724-H755 HydrophobicContact CD1-CB 4.2Å; E728-H755 IonicContact OE1-CE1 2.76Å; E728-H755 PolarHBondContact OE1-CE1 2.67Å; E728-H755 VanDerWaalsContact OE1-CE1 3.24Å; E728-H755 IonicContact OE1-NE2 3.56Å; E728-H755 PolarHBondContact OE1-NE2 2.93Å; Q752-H755 HydrophobicContact CB-CB 4.44Å; Q752-H755 PolarHBondContact O-N 2.74Å; A753-H755 PolarHBondContact O-N 2.88Å; H755-I757 PolarHBondContact O-N 3.19Å; H755-Y758 WeakPolarHBondContact O-CB 3.19Å; H755-Y758 PolarHBondContact O-N 3.34Å; H755-Y758 VanDerWaalsContact O-N 3.12Å; H755-L759 PolarHBondContact O-N 2.91Å; H755-Y787 HydrophobicContact CB-CE2 4.42Å; H755-Y787 AromaticContact CD2-CZ 3.94Å; H755-Y787 PolarHBondContact CD2-OH 3.19Å
756I87.9Confident84.7Confident7 Ų731.4 Ų31.44%0.03616%0.159CC..Hα-helixtrans-56.2-48172.9-67.7165.3000111.2L724 I743 A746 V747 Q752 A753 Y758 L759 K760L724-I756 HydrophobicContact CD2-CG1 3.73Å; I743-I756 HydrophobicContact CG2-CG2 4.31Å; A746-I756 HydrophobicContact CB-CD1 4.45Å; A746-I756 HydrophobicContact CB-CG1 4.25Å; V747-I756 HydrophobicContact CG2-CG2 3.47Å; V747-I756 VanDerWaalsContact CG2-CG2 3.47Å; Q752-I756 VanDerWaalsContact O-CG1 3.31Å; Q752-I756 WeakPolarHBondContact O-CG1 3.46Å; Q752-I756 PolarHBondContact O-N 2.99Å; Q752-I756 VanDerWaalsContact O-N 3.11Å; A753-I756 PolarHBondContact O-N 3.48Å; I756-Y758 VanDerWaalsContact C-N 3.3Å; I756-Y758 PolarHBondContact O-N 3.5Å; I756-L759 PolarHBondContact O-N 3.27Å; I756-K760 PolarHBondContact O-N 2.98Å
757I90.3Very high85.2Confident10 Ų1035.6 Ų35.65%0.05118%0.181CC..Hα-helixtrans-63.5-38.6178.2-63161.8000110.8V682 I686 A753 H755 K760 A761 C776 V779 T780V682-I757 HydrophobicContact CG1-CD1 3.72Å; V682-I757 HydrophobicContact CG1-CG1 3.53Å; I686-I757 HydrophobicContact CD1-CD1 3.64Å; I686-I757 HydrophobicContact CG1-CD1 4.39Å; A753-I757 WeakPolarHBondContact O-CD1 3.38Å; A753-I757 WeakPolarHBondContact O-CG1 3.14Å; A753-I757 PolarHBondContact O-N 3.12Å; H755-I757 PolarHBondContact O-N 3.19Å; I757-K760 PolarHBondContact O-N 3.43Å; I757-A761 WeakPolarHBondContact O-CB 3.3Å; I757-A761 PolarHBondContact O-N 3.41Å; I757-C776 HydrophobicContact CG2-CB 3.93Å; I757-C776 WeakPolarHBondContact CG2-O 3.27Å; I757-V779 HydrophobicContact CD1-CG1 4.02Å; I757-V779 HydrophobicContact CG2-CG1 4.42Å; I757-T780 WeakPolarHBondContact CG2-OG1 3.42Å
758Y91.9Very high85.4Confident9 Ų937 Ų374%0.03520%0.2CC..Hα-helixtrans-62.7-44175.5156.6-100.6000112.7A754 H755 I756 K760 A761 R762 Y777 Y787 S789 Y793A754-Y758 PolarHBondContact O-N 3.04Å; A754-Y758 VanDerWaalsContact O-N 3.12Å; H755-Y758 WeakPolarHBondContact O-CB 3.19Å; H755-Y758 PolarHBondContact O-N 3.34Å; H755-Y758 VanDerWaalsContact O-N 3.12Å; I756-Y758 VanDerWaalsContact C-N 3.3Å; I756-Y758 PolarHBondContact O-N 3.5Å; Y758-K760 VanDerWaalsContact C-N 3.34Å; Y758-A761 VanDerWaalsContact O-CB 3.31Å; Y758-A761 WeakPolarHBondContact O-CB 3.2Å; Y758-A761 PolarHBondContact O-N 3.29Å; Y758-R762 HydrophobicContact CD2-CG 4.35Å; Y758-R762 HydrophobicContact CE2-CG 3.87Å; Y758-R762 PolarHBondContact O-N 3.3Å; Y758-R762 VanDerWaalsContact OH-CD 3.29Å; Y758-R762 WeakPolarHBondContact OH-CD 3.2Å; Y758-Y777 HydrophobicContact CD2-CD1 4.25Å; Y758-Y777 AromaticContact CD2-CE1 3.74Å; Y758-Y777 HydrophobicContact CD2-CE1 3.74Å; Y758-Y777 HydrophobicContact CE2-CE1 4.2Å; Y758-Y787 HydrophobicContact CD1-CE1 4.03Å; Y758-Y787 AromaticContact CD1-CZ 3.95Å; Y758-Y787 WeakPolarHBondContact CD1-OH 3.49Å; Y758-Y787 AromaticContact CD2-CE1 3.67Å; Y758-Y787 HydrophobicContact CD2-CE1 3.67Å; Y758-Y787 HydrophobicContact CE2-CE1 4.23Å; Y758-Y787 AromaticContact CG-CE1 3.53Å; Y758-Y787 HydrophobicContact CG-CE1 3.53Å; Y758-Y787 AromaticContact CG-CZ 3.84Å; Y758-Y787 VanDerWaalsContact CG-OH 3.3Å; Y758-S789 WeakPolarHBondContact OH-CB 3.14Å; Y758-Y793 AromaticContact CE2-CD2 3.76Å; Y758-Y793 HydrophobicContact CE2-CD2 3.76Å; Y758-Y793 AromaticContact CE2-CE2 3.86Å; Y758-Y793 HydrophobicContact CE2-CE2 3.86Å
759L90.1Very high85.9Confident0 Ų032.5 Ų32.50%019%0.186CC..Hα-helixtrans-66.3-38.4176.9-66.9179.2000111.7L724 A727 E728 L731 I743 H755 I756 A761 R762 L763L724-L759 HydrophobicContact CB-CD1 4.15Å; L724-L759 HydrophobicContact CD2-CD1 3.37Å; L724-L759 HydrophobicContact CD2-CG 4.5Å; L724-L759 HydrophobicContact CG-CD1 4.33Å; A727-L759 HydrophobicContact CB-CD1 3.73Å; E728-L759 HydrophobicContact CG-CD2 3.63Å; L731-L759 HydrophobicContact CD1-CD2 3.74Å; I743-L759 HydrophobicContact CD1-CB 3.94Å; I743-L759 HydrophobicContact CG1-CB 4.11Å; H755-L759 PolarHBondContact O-N 2.91Å; I756-L759 PolarHBondContact O-N 3.27Å; L759-A761 VanDerWaalsContact C-N 3.3Å; L759-A761 PolarHBondContact O-N 3.46Å; L759-R762 PolarHBondContact O-N 3.09Å; L759-L763 PolarHBondContact O-N 3.04Å
760K91.3Very high87Confident48 Ų4835.2 Ų35.221%0.20920%0.2CC..Hα-helixtrans-60.5-42171.6-164.9-177.2-175.8-168.70111.1D679 I756 I757 Y758 L763 Y764D679-K760 IonicContact OD1-NZ 2.82Å; D679-K760 PolarHBondContact OD1-NZ 3.17Å; D679-K760 IonicContact OD2-NZ 3.94Å; D679-K760 PolarHBondContact OD2-NZ 3.34Å; I756-K760 PolarHBondContact O-N 2.98Å; I757-K760 PolarHBondContact O-N 3.43Å; Y758-K760 VanDerWaalsContact C-N 3.34Å; K760-L763 WeakPolarHBondContact O-CB 3.3Å; K760-L763 PolarHBondContact O-N 2.91Å; K760-Y764 HydrophobicContact CD-CE2 4.06Å; K760-Y764 VanDerWaalsContact CE-OH 3.25Å; K760-Y764 WeakPolarHBondContact CE-OH 3.41Å; K760-Y764 HydrophobicContact CG-CD2 4.22Å; K760-Y764 HydrophobicContact CG-CE2 3.75Å; K760-Y764 VanDerWaalsContact O-CD2 3.27Å; K760-Y764 WeakPolarHBondContact O-CD2 3.33Å; K760-Y764 PolarHBondContact O-N 2.89Å
761A92.2Very high88.3Confident0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-62.2-42.3174.800000112.1I757 Y758 L759 Y764 H765 A773 C776 Y777I757-A761 WeakPolarHBondContact O-CB 3.3Å; I757-A761 PolarHBondContact O-N 3.41Å; Y758-A761 VanDerWaalsContact O-CB 3.31Å; Y758-A761 WeakPolarHBondContact O-CB 3.2Å; Y758-A761 PolarHBondContact O-N 3.29Å; L759-A761 VanDerWaalsContact C-N 3.3Å; L759-A761 PolarHBondContact O-N 3.46Å; A761-Y764 PolarHBondContact O-N 3.17Å; A761-H765 WeakPolarHBondContact O-CB 3.42Å; A761-H765 PolarHBondContact O-N 3.41Å; A761-A773 WeakPolarHBondContact O-CB 3.47Å; A761-C776 HydrophobicContact CB-CB 3.48Å; A761-C776 VanDerWaalsContact CB-CB 3.48Å; A761-Y777 HydrophobicContact CB-CD1 3.54Å; A761-Y777 HydrophobicContact CB-CD2 4.28Å; A761-Y777 HydrophobicContact CB-CE1 3.28Å; A761-Y777 HydrophobicContact CB-CE2 4.05Å; A761-Y777 HydrophobicContact CB-CG 4.03Å
762R93Very high89.5Confident29 Ų2943.4 Ų43.411%0.10923%0.226CC..Hα-helixtrans-63.3-39.6174.4-76.3-169.866.7-163.83.3112.5L731 Y758 L759 H765 L766 Y777 Y793L731-R762 HydrophobicContact CD1-CB 3.9Å; L731-R762 HydrophobicContact CD2-CB 4.44Å; Y758-R762 HydrophobicContact CD2-CG 4.35Å; Y758-R762 HydrophobicContact CE2-CG 3.87Å; Y758-R762 PolarHBondContact O-N 3.3Å; Y758-R762 VanDerWaalsContact OH-CD 3.29Å; Y758-R762 WeakPolarHBondContact OH-CD 3.2Å; L759-R762 PolarHBondContact O-N 3.09Å; R762-H765 WeakPolarHBondContact O-CB 3.39Å; R762-H765 PolarHBondContact O-N 3.34Å; R762-L766 PolarHBondContact O-N 3.49Å; R762-Y777 WeakPolarHBondContact CA-OH 3.43Å; R762-Y777 WeakPolarHBondContact CG-OH 3.49Å; R762-Y777 PolarHBondContact N-OH 2.89Å; R762-Y793 HydrophobicContact CG-CD2 4.36Å; R762-Y793 HydrophobicContact CG-CE2 4.14Å; R762-Y793 PolarHBondContact NE-OH 3.18Å
763L92.1Very high90.3Very high21 Ų2141.7 Ų41.711%0.1122%0.218CC..Hα-helixtrans-62.2-45.7174.8-177.165.4000111.1T736 V739 A740 I743 L759 K760 H765 L766 N767T736-L763 HydrophobicContact CG2-CD1 4.05Å; V739-L763 HydrophobicContact CB-CD1 4.28Å; V739-L763 HydrophobicContact CG1-CD1 4.08Å; A740-L763 HydrophobicContact CB-CD2 4.01Å; I743-L763 HydrophobicContact CD1-CB 4.45Å; I743-L763 HydrophobicContact CD1-CD2 4.23Å; L759-L763 PolarHBondContact O-N 3.04Å; K760-L763 WeakPolarHBondContact O-CB 3.3Å; K760-L763 PolarHBondContact O-N 2.91Å; L763-H765 VanDerWaalsContact C-N 3.31Å; L763-H765 PolarHBondContact O-N 3.29Å; L763-L766 PolarHBondContact O-N 2.95Å; L763-N767 WeakPolarHBondContact O-CB 3.45Å; L763-N767 PolarHBondContact O-N 2.64Å; L763-N767 PolarHBondContact O-ND2 3.21Å
764Y92.9Very high90.9Very high67 Ų6741.4 Ų41.426%0.26322%0.216SC..Hα-helixtrans-61.9-38.7173.4-74.5-51000112.7K760 A761 N767 G768 C769 E772K760-Y764 HydrophobicContact CD-CE2 4.06Å; K760-Y764 VanDerWaalsContact CE-OH 3.25Å; K760-Y764 WeakPolarHBondContact CE-OH 3.41Å; K760-Y764 HydrophobicContact CG-CD2 4.22Å; K760-Y764 HydrophobicContact CG-CE2 3.75Å; K760-Y764 VanDerWaalsContact O-CD2 3.27Å; K760-Y764 WeakPolarHBondContact O-CD2 3.33Å; K760-Y764 PolarHBondContact O-N 2.89Å; A761-Y764 PolarHBondContact O-N 3.17Å; Y764-N767 CarbonylContact O-C 3.55Å; Y764-N767 PolarHBondContact O-N 3.05Å; Y764-G768 PolarHBondContact O-N 2.67Å; Y764-G768 VanDerWaalsContact O-N 3.17Å; Y764-C769 HydrophobicContact CD1-CB 4.11Å; Y764-C769 PolarHBondContact O-N 2.78Å; Y764-E772 HydrophobicContact CD1-CB 4.43Å; Y764-E772 HydrophobicContact CD2-CB 4.25Å; Y764-E772 HydrophobicContact CG-CB 4.19Å
765H90.9Very high91.3Very high53 Ų5344.6 Ų44.625%0.24523%0.234CC..Hα-helixtrans-62.6-44.2176.9-168.4-99.4000111.6A761 R762 L763 N767 G768 A773A761-H765 WeakPolarHBondContact O-CB 3.42Å; A761-H765 PolarHBondContact O-N 3.41Å; R762-H765 WeakPolarHBondContact O-CB 3.39Å; R762-H765 PolarHBondContact O-N 3.34Å; L763-H765 VanDerWaalsContact C-N 3.31Å; L763-H765 PolarHBondContact O-N 3.29Å; H765-N767 VanDerWaalsContact C-N 3.34Å; H765-N767 PolarHBondContact O-N 3.47Å; H765-G768 PolarHBondContact O-N 3.49Å; H765-A773 HydrophobicContact CB-CB 4.12Å
766L88.7Confident91.5Very high87 Ų8744.9 Ų44.946%0.45524%0.237SC..Hα-helixtrans-64.6-35.6174-73.2-178000112.9L731 T736 R762 L763 G768L731-L766 HydrophobicContact CD2-CD1 3.43Å; L731-L766 VanDerWaalsContact CD2-CD1 3.43Å; L731-L766 HydrophobicContact CD2-CG 4.47Å; T736-L766 HydrophobicContact CG2-CB 4.43Å; R762-L766 PolarHBondContact O-N 3.49Å; L763-L766 PolarHBondContact O-N 2.95Å; L766-G768 PolarHBondContact O-N 2.79Å
767N91.5Very high91.8Very high87 Ų8744.5 Ų44.547%0.46524%0.236SC..THydrogen-bonded Turntrans-75.2-3.2176.3-70.1-19.7000113.7L763 Y764 H765 C769L763-N767 WeakPolarHBondContact O-CB 3.45Å; L763-N767 PolarHBondContact O-N 2.64Å; L763-N767 PolarHBondContact O-ND2 3.21Å; Y764-N767 CarbonylContact O-C 3.55Å; Y764-N767 PolarHBondContact O-N 3.05Å; H765-N767 VanDerWaalsContact C-N 3.34Å; H765-N767 PolarHBondContact O-N 3.47Å; N767-C769 VanDerWaalsContact C-N 3.33Å
768G89.1Confident92Very high54 Ų5448 Ų4856%0.55725%0.252SS*.THydrogen-bonded Turntrans823.5-179.100000115.2Y764 H765 L766 L770Y764-G768 PolarHBondContact O-N 2.67Å; Y764-G768 VanDerWaalsContact O-N 3.17Å; H765-G768 PolarHBondContact O-N 3.49Å; L766-G768 PolarHBondContact O-N 2.79Å; G768-L770 VanDerWaalsContact C-N 3.26Å; G768-L770 PolarHBondContact O-N 2.76Å
769C92.4Very high92Very high48 Ų4849.3 Ų49.332%0.32426%0.26SS..  trans-80.868.2177.6-62.40000111Y764 N767 K771 E772 A773Y764-C769 HydrophobicContact CD1-CB 4.11Å; Y764-C769 PolarHBondContact O-N 2.78Å; N767-C769 VanDerWaalsContact C-N 3.33Å; C769-K771 VanDerWaalsContact C-N 3.31Å; C769-K771 PolarHBondContact O-N 2.87Å; C769-E772 HydrophobicContact CB-CB 4.3Å; C769-E772 HydrophobicContact CB-CG 4.47Å; C769-E772 WeakPolarHBondContact CB-OE2 3.06Å; C769-E772 PolarHBondContact O-N 3.22Å; C769-A773 WeakPolarHBondContact O-CB 3.47Å; C769-A773 PolarHBondContact O-N 2.69Å
770L92.3Very high92Very high67 Ų6749.3 Ų49.335%0.35126%0.26SS..Hα-helixtrans-65.6-28.3-171.2-61.3-178.5000114.1G768 A774G768-L770 VanDerWaalsContact C-N 3.26Å; G768-L770 PolarHBondContact O-N 2.76Å; L770-A774 WeakPolarHBondContact O-CB 3.27Å; L770-A774 PolarHBondContact O-N 2.88Å; L770-A774 VanDerWaalsContact O-N 3.1Å
771K91.6Very high91.9Very high165 Ų16548.4 Ų48.472%0.71726%0.258SS*.Hα-helixtrans-72.3-47.9-179.5-71.5178.7-179.9176.10110.4C769 A774 T775C769-K771 VanDerWaalsContact C-N 3.31Å; C769-K771 PolarHBondContact O-N 2.87Å; K771-A774 PolarHBondContact O-N 3.45Å; K771-T775 WeakPolarHBondContact O-CG2 3.35Å; K771-T775 PolarHBondContact O-N 3.37Å; K771-T775 VanDerWaalsContact O-N 3.17Å
772E92.5Very high91.8Very high92 Ų9252.8 Ų52.843%0.4329%0.288SS..Hα-helixtrans-62.3-45.9177-62.776.7-172.700110Y764 C769 A774 T775 C776Y764-E772 HydrophobicContact CD1-CB 4.43Å; Y764-E772 HydrophobicContact CD2-CB 4.25Å; Y764-E772 HydrophobicContact CG-CB 4.19Å; C769-E772 HydrophobicContact CB-CB 4.3Å; C769-E772 HydrophobicContact CB-CG 4.47Å; C769-E772 WeakPolarHBondContact CB-OE2 3.06Å; C769-E772 PolarHBondContact O-N 3.22Å; E772-A774 PolarHBondContact O-N 2.85Å; E772-T775 PolarHBondContact O-N 2.94Å; E772-T775 PolarHBondContact O-OG1 2.9Å; E772-C776 PolarHBondContact O-N 3.4Å; E772-C776 VanDerWaalsContact O-N 3.1Å; E772-C776 PolarHBondContact O-SG 3.07Å
773A93Very high91.4Very high0 Ų053.1 Ų53.10%030%0.297CS..Hα-helixtrans-57.1-45.9175.500000112.5A761 H765 C769 T775 C776 Y777 I797A761-A773 WeakPolarHBondContact O-CB 3.47Å; H765-A773 HydrophobicContact CB-CB 4.12Å; C769-A773 WeakPolarHBondContact O-CB 3.47Å; C769-A773 PolarHBondContact O-N 2.69Å; A773-T775 VanDerWaalsContact C-N 3.34Å; A773-T775 PolarHBondContact O-N 3.26Å; A773-C776 PolarHBondContact O-N 3.13Å; A773-Y777 HydrophobicContact CB-CE2 4.16Å; A773-Y777 WeakPolarHBondContact O-CD2 3.46Å; A773-Y777 PolarHBondContact O-N 3.16Å; A773-I797 HydrophobicContact CB-CD1 4.03Å
774A93.3Very high91Very high6 Ų653.6 Ų53.65%0.0530%0.302CS..Hα-helixtrans-59.6-43.5178.100000112.3L770 K771 E772 C776 Y777 E778 L794 I797L770-A774 WeakPolarHBondContact O-CB 3.27Å; L770-A774 PolarHBondContact O-N 2.88Å; L770-A774 VanDerWaalsContact O-N 3.1Å; K771-A774 PolarHBondContact O-N 3.45Å; E772-A774 PolarHBondContact O-N 2.85Å; A774-C776 VanDerWaalsContact C-N 3.35Å; A774-C776 PolarHBondContact O-N 3.33Å; A774-Y777 PolarHBondContact O-N 3.4Å; A774-E778 WeakPolarHBondContact O-CG 3.49Å; A774-E778 PolarHBondContact O-N 3.41Å; A774-L794 HydrophobicContact CB-CD1 4.24Å; A774-I797 HydrophobicContact CB-CD1 4.21Å; A774-I797 HydrophobicContact CB-CG2 4.2Å
775T93.5Very high90.6Very high76 Ų7655 Ų5547%0.46632%0.319SS..Hα-helixtrans-62.8-41.4177.959.90000112K771 E772 A773 E778 V779K771-T775 WeakPolarHBondContact O-CG2 3.35Å; K771-T775 PolarHBondContact O-N 3.37Å; K771-T775 VanDerWaalsContact O-N 3.17Å; E772-T775 PolarHBondContact O-N 2.94Å; E772-T775 PolarHBondContact O-OG1 2.9Å; A773-T775 VanDerWaalsContact C-N 3.34Å; A773-T775 PolarHBondContact O-N 3.26Å; T775-E778 PolarHBondContact O-N 3.29Å; T775-V779 VanDerWaalsContact O-CG2 3.28Å; T775-V779 WeakPolarHBondContact O-CG2 3.5Å; T775-V779 PolarHBondContact O-N 3.02Å
776C91.9Very high90.1Very high16 Ų1658.2 Ų58.211%0.10833%0.334CS..Hα-helixtrans-65.1-41.5176.6-66.20000112I757 A761 E772 A773 A774 E778 V779 T780I757-C776 HydrophobicContact CG2-CB 3.93Å; I757-C776 WeakPolarHBondContact CG2-O 3.27Å; A761-C776 HydrophobicContact CB-CB 3.48Å; A761-C776 VanDerWaalsContact CB-CB 3.48Å; E772-C776 PolarHBondContact O-N 3.4Å; E772-C776 VanDerWaalsContact O-N 3.1Å; E772-C776 PolarHBondContact O-SG 3.07Å; A773-C776 PolarHBondContact O-N 3.13Å; A774-C776 VanDerWaalsContact C-N 3.35Å; A774-C776 PolarHBondContact O-N 3.33Å; C776-E778 VanDerWaalsContact C-N 3.35Å; C776-E778 PolarHBondContact O-N 2.89Å; C776-V779 PolarHBondContact O-N 3.49Å; C776-T780 PolarHBondContact O-N 3.09Å; C776-T780 PolarHBondContact O-OG1 2.83Å
777Y94.1Very high90Very high0 Ų055 Ų550%032%0.316CS..Hα-helixtrans-63.8-38.8175.7-66.9-49.3000112.9Y758 A761 R762 A773 A774 V779 T780 L781 Y793 I797Y758-Y777 HydrophobicContact CD2-CD1 4.25Å; Y758-Y777 AromaticContact CD2-CE1 3.74Å; Y758-Y777 HydrophobicContact CD2-CE1 3.74Å; Y758-Y777 HydrophobicContact CE2-CE1 4.2Å; A761-Y777 HydrophobicContact CB-CD1 3.54Å; A761-Y777 HydrophobicContact CB-CD2 4.28Å; A761-Y777 HydrophobicContact CB-CE1 3.28Å; A761-Y777 HydrophobicContact CB-CE2 4.05Å; A761-Y777 HydrophobicContact CB-CG 4.03Å; R762-Y777 WeakPolarHBondContact CA-OH 3.43Å; R762-Y777 WeakPolarHBondContact CG-OH 3.49Å; R762-Y777 PolarHBondContact N-OH 2.89Å; A773-Y777 HydrophobicContact CB-CE2 4.16Å; A773-Y777 WeakPolarHBondContact O-CD2 3.46Å; A773-Y777 PolarHBondContact O-N 3.16Å; A774-Y777 PolarHBondContact O-N 3.4Å; Y777-V779 VanDerWaalsContact C-N 3.35Å; Y777-T780 PolarHBondContact O-N 2.95Å; Y777-L781 WeakPolarHBondContact O-CG 3.45Å; Y777-L781 PolarHBondContact O-N 2.7Å; Y777-Y793 HydrophobicContact CE1-CD2 4.37Å; Y777-Y793 HydrophobicContact CE1-CG 4.41Å; Y777-Y793 VanDerWaalsContact CE2-CB 3.48Å; Y777-Y793 HydrophobicContact CE2-CG 4.47Å; Y777-Y793 AromaticContact CZ-CG 3.92Å; Y777-Y793 WeakPolarHBondContact OH-CB 3.23Å; Y777-I797 HydrophobicContact CD2-CD1 3.84Å; Y777-I797 HydrophobicContact CE2-CD1 3.75Å
778E93.4Very high89.8Confident84 Ų8451 Ų5139%0.39330%0.295SS..Hα-helixtrans-64-40.6174.9-73.6176.5169.100111.9A774 T775 C776 L781 S782 L794 R798A774-E778 WeakPolarHBondContact O-CG 3.49Å; A774-E778 PolarHBondContact O-N 3.41Å; T775-E778 PolarHBondContact O-N 3.29Å; C776-E778 VanDerWaalsContact C-N 3.35Å; C776-E778 PolarHBondContact O-N 2.89Å; E778-L781 PolarHBondContact O-N 3.08Å; E778-S782 WeakPolarHBondContact O-CB 3.44Å; E778-S782 PolarHBondContact O-N 3.42Å; E778-L794 HydrophobicContact CG-CD1 4.19Å; E778-L794 HydrophobicContact CG-CD2 3.94Å; E778-R798 IonicContact OE1-CZ 2.59Å; E778-R798 IonicContact OE1-NH2 3.71Å; E778-R798 PolarHBondContact OE1-NH2 3.24Å
779V92.7Very high89.9Confident35 Ų3548.5 Ų48.521%0.21227%0.269CS..Hα-helixtrans-61.3-47.2172.91720000110.4F683 I686 I757 T775 C776 Y777 L781 S782 A783F683-V779 HydrophobicContact CD1-CG1 4.39Å; F683-V779 HydrophobicContact CE1-CB 4.48Å; F683-V779 HydrophobicContact CE1-CG1 3.77Å; F683-V779 HydrophobicContact CE1-CG2 3.97Å; I686-V779 HydrophobicContact CD1-CG1 4.08Å; I757-V779 HydrophobicContact CD1-CG1 4.02Å; I757-V779 HydrophobicContact CG2-CG1 4.42Å; T775-V779 VanDerWaalsContact O-CG2 3.28Å; T775-V779 WeakPolarHBondContact O-CG2 3.5Å; T775-V779 PolarHBondContact O-N 3.02Å; C776-V779 PolarHBondContact O-N 3.49Å; Y777-V779 VanDerWaalsContact C-N 3.35Å; V779-L781 VanDerWaalsContact C-N 3.33Å; V779-L781 PolarHBondContact O-N 2.95Å; V779-S782 WeakPolarHBondContact CA-OG 3.28Å; V779-S782 PolarHBondContact O-N 2.92Å; V779-S782 PolarHBondContact O-OG 3.2Å; V779-A783 PolarHBondContact O-N 3.1Å
780T89.9Confident89.8Confident0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-57.8-44.7176.9-59.70000111.7A754 I757 C776 Y777 A783 C784 Y787A754-T780 HydrophobicContact CB-CG2 4.33Å; A754-T780 WeakPolarHBondContact O-CG2 3.37Å; A754-T780 PolarHBondContact O-OG1 3.44Å; I757-T780 WeakPolarHBondContact CG2-OG1 3.42Å; C776-T780 PolarHBondContact O-N 3.09Å; C776-T780 PolarHBondContact O-OG1 2.83Å; Y777-T780 PolarHBondContact O-N 2.95Å; T780-A783 PolarHBondContact O-N 3.4Å; T780-C784 PolarHBondContact O-N 3.47Å; T780-Y787 HydrophobicContact CG2-CD1 3.75Å; T780-Y787 HydrophobicContact CG2-CD2 4.4Å; T780-Y787 HydrophobicContact CG2-CE1 4.13Å; T780-Y787 HydrophobicContact CG2-CG 3.87Å
781L89.5Confident89.9Confident29 Ų2943.5 Ų43.515%0.15224%0.241CC..Hα-helixtrans-70.3-30.9178.5-70.3171.5000113.1Y777 E778 V779 A783 C784 P785 S790 A791 L794Y777-L781 WeakPolarHBondContact O-CG 3.45Å; Y777-L781 PolarHBondContact O-N 2.7Å; E778-L781 PolarHBondContact O-N 3.08Å; V779-L781 VanDerWaalsContact C-N 3.33Å; V779-L781 PolarHBondContact O-N 2.95Å; L781-A783 VanDerWaalsContact C-N 3.3Å; L781-C784 CarbonylContact O-C 3.6Å; L781-P785 VanDerWaalsContact O-CA 3.29Å; L781-P785 WeakPolarHBondContact O-CA 3.24Å; L781-S790 WeakPolarHBondContact CD2-OG 3.48Å; L781-S790 WeakPolarHBondContact CG-OG 3.47Å; L781-A791 HydrophobicContact CD1-CB 4.19Å; L781-A791 HydrophobicContact CD2-CB 3.89Å; L781-L794 HydrophobicContact CD1-CD2 3.63Å
782S89.9Confident90Very high92 Ų9236.3 Ų36.364%0.64321%0.209SC*.Hα-helixtrans-66.8-34173.4760000112E778 V779E778-S782 WeakPolarHBondContact O-CB 3.44Å; E778-S782 PolarHBondContact O-N 3.42Å; V779-S782 WeakPolarHBondContact CA-OG 3.28Å; V779-S782 PolarHBondContact O-N 2.92Å; V779-S782 PolarHBondContact O-OG 3.2Å
783A84.4Confident90Very high37 Ų3733.5 Ų33.531%0.30620%0.195SC..Hα-helixtrans-80-45.5175.700000112.1I686 V779 T780 L781I686-A783 HydrophobicContact CG2-CB 3.94Å; V779-A783 PolarHBondContact O-N 3.1Å; T780-A783 PolarHBondContact O-N 3.4Å; L781-A783 VanDerWaalsContact C-N 3.3Å
784C82.8Confident90Very high31 Ų3134 Ų3421%0.20920%0.197CC..  trans-129.290.7-178.7-67.70000110.3A754 T780 L781 H786 Y787A754-C784 HydrophobicContact CB-CB 4.37Å; T780-C784 PolarHBondContact O-N 3.47Å; L781-C784 CarbonylContact O-C 3.6Å; C784-H786 PolarHBondContact O-N 3.36Å; C784-Y787 WeakPolarHBondContact O-CB 3.43Å; C784-Y787 PolarHBondContact O-N 2.83Å; C784-Y787 VanDerWaalsContact O-N 3.12Å
785P84.3Confident90.1Very high95 Ų9533.7 Ų33.762%0.61720%0.195SC*.THydrogen-bonded Turntrans-60.2-21.6-177.7-27.235.6000115L781L781-P785 VanDerWaalsContact O-CA 3.29Å; L781-P785 WeakPolarHBondContact O-CA 3.24Å
786H81.7Confident90Very high121 Ų12131.8 Ų31.856%0.5618%0.182SC*.THydrogen-bonded Turntrans-96.411.6-177.6-61.7109.2000113.6C784 A788 M817C784-H786 PolarHBondContact O-N 3.36Å; H786-A788 PolarHBondContact O-N 2.82Å; H786-A788 VanDerWaalsContact O-N 3.14Å; H786-M817 HydrophobicContact CB-CE 3.72Å; H786-M817 VanDerWaalsContact CD2-CE 3.4Å; H786-M817 WeakPolarHBondContact CD2-CE 3.48Å
787Y86.8Confident90.1Very high21 Ų2131 Ų318%0.08218%0.177CC..  trans-80.194.9-178.9-161.4-85000110.5H755 Y758 T780 C784 S789 S790 A791H755-Y787 HydrophobicContact CB-CE2 4.42Å; H755-Y787 AromaticContact CD2-CZ 3.94Å; H755-Y787 PolarHBondContact CD2-OH 3.19Å; Y758-Y787 HydrophobicContact CD1-CE1 4.03Å; Y758-Y787 AromaticContact CD1-CZ 3.95Å; Y758-Y787 WeakPolarHBondContact CD1-OH 3.49Å; Y758-Y787 AromaticContact CD2-CE1 3.67Å; Y758-Y787 HydrophobicContact CD2-CE1 3.67Å; Y758-Y787 HydrophobicContact CE2-CE1 4.23Å; Y758-Y787 AromaticContact CG-CE1 3.53Å; Y758-Y787 HydrophobicContact CG-CE1 3.53Å; Y758-Y787 AromaticContact CG-CZ 3.84Å; Y758-Y787 VanDerWaalsContact CG-OH 3.3Å; T780-Y787 HydrophobicContact CG2-CD1 3.75Å; T780-Y787 HydrophobicContact CG2-CD2 4.4Å; T780-Y787 HydrophobicContact CG2-CE1 4.13Å; T780-Y787 HydrophobicContact CG2-CG 3.87Å; C784-Y787 WeakPolarHBondContact O-CB 3.43Å; C784-Y787 PolarHBondContact O-N 2.83Å; C784-Y787 VanDerWaalsContact O-N 3.12Å; Y787-S789 WeakPolarHBondContact CE1-OG 3.42Å; Y787-S789 PolarHBondContact O-N 3.44Å; Y787-S790 VanDerWaalsContact CD1-OG 3.26Å; Y787-S790 WeakPolarHBondContact CD1-OG 3.21Å; Y787-S790 PolarHBondContact O-N 3.15Å; Y787-S790 PolarHBondContact O-OG 3.17Å; Y787-A791 PolarHBondContact O-N 3Å
788A87.5Confident90Very high3 Ų333.3 Ų33.33%0.02519%0.185CC..Hα-helixtrans-62.8-42.2-167.400000113.6H786 A791 R792 V814 M817 E818H786-A788 PolarHBondContact O-N 2.82Å; H786-A788 VanDerWaalsContact O-N 3.14Å; A788-A791 PolarHBondContact O-N 3.16Å; A788-R792 WeakPolarHBondContact O-CB 3.44Å; A788-R792 PolarHBondContact O-N 3.47Å; A788-V814 HydrophobicContact CB-CG1 4.42Å; A788-V814 WeakPolarHBondContact O-CG2 3.06Å; A788-M817 HydrophobicContact CB-CB 4.42Å; A788-E818 VanDerWaalsContact CB-CD 3.48Å; A788-E818 HydrophobicContact CB-CG 3.93Å; A788-E818 WeakPolarHBondContact CB-OE1 3.26Å
789S89.9Confident90Very high1 Ų131.2 Ų31.21%0.00718%0.176CC..Hα-helixtrans-66.1-40.1-178.741.30000113.4E697 Y758 Y787 R792 Y793E697-S789 VanDerWaalsContact OE1-CA 3.25Å; E697-S789 WeakPolarHBondContact OE1-CA 3.35Å; E697-S789 WeakPolarHBondContact OE1-CB 3.4Å; E697-S789 PolarHBondContact OE1-N 3.44Å; E697-S789 PolarHBondContact OE1-OG 3.37Å; Y758-S789 WeakPolarHBondContact OH-CB 3.14Å; Y787-S789 WeakPolarHBondContact CE1-OG 3.42Å; Y787-S789 PolarHBondContact O-N 3.44Å; S789-R792 WeakPolarHBondContact O-CB 3.4Å; S789-R792 PolarHBondContact O-N 3.43Å; S789-Y793 WeakPolarHBondContact O-CD2 3.38Å; S789-Y793 PolarHBondContact O-N 2.88Å
790S91.6Very high89.8Confident0 Ų033.6 Ų33.60%019%0.193CC..Hα-helixtrans-65.3-40.8175.566.30000111.1L781 Y787 R792 L794L781-S790 WeakPolarHBondContact CD2-OG 3.48Å; L781-S790 WeakPolarHBondContact CG-OG 3.47Å; Y787-S790 VanDerWaalsContact CD1-OG 3.26Å; Y787-S790 WeakPolarHBondContact CD1-OG 3.21Å; Y787-S790 PolarHBondContact O-N 3.15Å; Y787-S790 PolarHBondContact O-OG 3.17Å; S790-R792 VanDerWaalsContact C-N 3.32Å; S790-R792 PolarHBondContact O-N 3.29Å; S790-L794 VanDerWaalsContact O-CB 3.22Å; S790-L794 WeakPolarHBondContact O-CB 3.16Å; S790-L794 PolarHBondContact O-N 3.4Å
791A93.1Very high89.9Confident10 Ų1038.1 Ų38.18%0.08322%0.215CC..Hα-helixtrans-61.7-38.7172.500000112.4L781 Y787 A788 A795 V814L781-A791 HydrophobicContact CD1-CB 4.19Å; L781-A791 HydrophobicContact CD2-CB 3.89Å; Y787-A791 PolarHBondContact O-N 3Å; A788-A791 PolarHBondContact O-N 3.16Å; A791-A795 WeakPolarHBondContact O-CB 3.41Å; A791-A795 PolarHBondContact O-N 2.76Å; A791-V814 HydrophobicContact CB-CG2 3.46Å; A791-V814 VanDerWaalsContact CB-CG2 3.46Å
792R94Very high89.8Confident14 Ų1438.7 Ų38.75%0.05323%0.227CC..Hα-helixtrans-61-53.5176.6-172.6-167.3-59.6131.48.2112A788 S789 S790 A795 L796 V814 E818 N821 N824 L827A788-R792 WeakPolarHBondContact O-CB 3.44Å; A788-R792 PolarHBondContact O-N 3.47Å; S789-R792 WeakPolarHBondContact O-CB 3.4Å; S789-R792 PolarHBondContact O-N 3.43Å; S790-R792 VanDerWaalsContact C-N 3.32Å; S790-R792 PolarHBondContact O-N 3.29Å; R792-A795 WeakPolarHBondContact O-CB 3.17Å; R792-A795 PolarHBondContact O-N 2.73Å; R792-L796 PolarHBondContact O-N 3.48Å; R792-L796 VanDerWaalsContact O-N 3.14Å; R792-V814 HydrophobicContact CB-CG1 4.42Å; R792-V814 HydrophobicContact CB-CG2 4.44Å; R792-E818 IonicContact NH2-OE2 2.59Å; R792-E818 PolarHBondContact NH2-OE2 3.38Å; R792-N821 PolarHBondContact NH2-ND2 3.24Å; R792-N824 PolarHBondContact NE-OD1 3.11Å; R792-N824 PolarHBondContact NH2-OD1 3.34Å; R792-L827 HydrophobicContact CG-CD1 3.32Å
793Y92.9Very high89.9Confident33 Ų3337.5 Ų37.513%0.12921%0.214CC..Hα-helixtrans-70.5-34.2179.9-72.1-75.4000112.6Y758 R762 Y777 S789 A795 L796 I797Y758-Y793 AromaticContact CE2-CD2 3.76Å; Y758-Y793 HydrophobicContact CE2-CD2 3.76Å; Y758-Y793 AromaticContact CE2-CE2 3.86Å; Y758-Y793 HydrophobicContact CE2-CE2 3.86Å; R762-Y793 HydrophobicContact CG-CD2 4.36Å; R762-Y793 HydrophobicContact CG-CE2 4.14Å; R762-Y793 PolarHBondContact NE-OH 3.18Å; Y777-Y793 HydrophobicContact CE1-CD2 4.37Å; Y777-Y793 HydrophobicContact CE1-CG 4.41Å; Y777-Y793 VanDerWaalsContact CE2-CB 3.48Å; Y777-Y793 HydrophobicContact CE2-CG 4.47Å; Y777-Y793 AromaticContact CZ-CG 3.92Å; Y777-Y793 WeakPolarHBondContact OH-CB 3.23Å; S789-Y793 WeakPolarHBondContact O-CD2 3.38Å; S789-Y793 PolarHBondContact O-N 2.88Å; Y793-A795 VanDerWaalsContact C-N 3.28Å; Y793-A795 PolarHBondContact O-N 3.48Å; Y793-L796 HydrophobicContact CD1-CD1 4.1Å; Y793-L796 WeakPolarHBondContact O-CB 3.44Å; Y793-L796 PolarHBondContact O-N 3.47Å; Y793-I797 WeakPolarHBondContact O-CG1 3.4Å; Y793-I797 PolarHBondContact O-N 3.41Å
794L93.9Very high90.2Very high9 Ų939.5 Ų39.55%0.04722%0.216CC..Hα-helixtrans-60.4-41.9171.2-176.260.7000110.7A774 E778 L781 S790 L796 I797 R798 L810A774-L794 HydrophobicContact CB-CD1 4.24Å; E778-L794 HydrophobicContact CG-CD1 4.19Å; E778-L794 HydrophobicContact CG-CD2 3.94Å; L781-L794 HydrophobicContact CD1-CD2 3.63Å; S790-L794 VanDerWaalsContact O-CB 3.22Å; S790-L794 WeakPolarHBondContact O-CB 3.16Å; S790-L794 PolarHBondContact O-N 3.4Å; L794-L796 PolarHBondContact O-N 3.41Å; L794-I797 PolarHBondContact O-N 3.01Å; L794-R798 HydrophobicContact CD1-CG 4.42Å; L794-R798 HydrophobicContact CG-CG 4.44Å; L794-R798 VanDerWaalsContact O-CG 3.3Å; L794-R798 WeakPolarHBondContact O-CG 3.33Å; L794-R798 PolarHBondContact O-N 2.92Å; L794-L810 HydrophobicContact CB-CD1 4.33Å; L794-L810 HydrophobicContact CD2-CD1 4Å; L794-L810 HydrophobicContact CG-CD1 3.93Å
795A93.7Very high90.6Very high0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-61-41.9176.600000112.5A791 R792 Y793 I797 R798 Q799 A807 L810 L811A791-A795 WeakPolarHBondContact O-CB 3.41Å; A791-A795 PolarHBondContact O-N 2.76Å; R792-A795 WeakPolarHBondContact O-CB 3.17Å; R792-A795 PolarHBondContact O-N 2.73Å; Y793-A795 VanDerWaalsContact C-N 3.28Å; Y793-A795 PolarHBondContact O-N 3.48Å; A795-I797 PolarHBondContact O-N 2.9Å; A795-R798 PolarHBondContact O-N 3.28Å; A795-Q799 WeakPolarHBondContact O-CB 3.38Å; A795-Q799 PolarHBondContact O-N 3.22Å; A795-A807 WeakPolarHBondContact O-CB 3.43Å; A795-L810 HydrophobicContact CB-CB 3.82Å; A795-L810 HydrophobicContact CB-CD1 4.27Å; A795-L811 HydrophobicContact CB-CD1 4.5Å; A795-L811 HydrophobicContact CB-CD2 3.77Å; A795-L811 HydrophobicContact CB-CG 3.69Å
796L93.2Very high91Very high36 Ų3645 Ų4519%0.18823%0.229CC..Hα-helixtrans-59.8-43.8174.4-72.7176.3000112.3R792 Y793 L794 Q799 S800 L827R792-L796 PolarHBondContact O-N 3.48Å; R792-L796 VanDerWaalsContact O-N 3.14Å; Y793-L796 HydrophobicContact CD1-CD1 4.1Å; Y793-L796 WeakPolarHBondContact O-CB 3.44Å; Y793-L796 PolarHBondContact O-N 3.47Å; L794-L796 PolarHBondContact O-N 3.41Å; L796-Q799 WeakPolarHBondContact O-CB 3.25Å; L796-Q799 PolarHBondContact O-N 3.17Å; L796-S800 PolarHBondContact O-N 3.02Å; L796-L827 HydrophobicContact CD1-CD1 4.41Å; L796-L827 HydrophobicContact CD1-CD2 4.49Å; L796-L827 HydrophobicContact CD2-CD2 3.77Å
797I92.8Very high91.5Very high0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-65.5-39.8175.8-63.3169.7000110.9A773 A774 Y777 Y793 L794 A795 Q799 S800 Q801A773-I797 HydrophobicContact CB-CD1 4.03Å; A774-I797 HydrophobicContact CB-CD1 4.21Å; A774-I797 HydrophobicContact CB-CG2 4.2Å; Y777-I797 HydrophobicContact CD2-CD1 3.84Å; Y777-I797 HydrophobicContact CE2-CD1 3.75Å; Y793-I797 WeakPolarHBondContact O-CG1 3.4Å; Y793-I797 PolarHBondContact O-N 3.41Å; L794-I797 PolarHBondContact O-N 3.01Å; A795-I797 PolarHBondContact O-N 2.9Å; I797-Q799 VanDerWaalsContact C-N 3.33Å; I797-S800 PolarHBondContact O-N 3.28Å; I797-S800 PolarHBondContact O-OG 3.44Å; I797-Q801 VanDerWaalsContact O-CG 3.27Å; I797-Q801 WeakPolarHBondContact O-CG 3.3Å; I797-Q801 PolarHBondContact O-N 3.36Å; I797-Q801 VanDerWaalsContact O-N 3.09Å
798R93.2Very high91.9Very high49 Ų4940.1 Ų40.119%0.18521%0.208CC..Hα-helixtrans-68.9-32.4177.3-64.7-48.4-176174.11.4112.4E778 L794 A795 Q801 G802 N803 L806 A807E778-R798 IonicContact OE1-CZ 2.59Å; E778-R798 IonicContact OE1-NH2 3.71Å; E778-R798 PolarHBondContact OE1-NH2 3.24Å; L794-R798 HydrophobicContact CD1-CG 4.42Å; L794-R798 HydrophobicContact CG-CG 4.44Å; L794-R798 VanDerWaalsContact O-CG 3.3Å; L794-R798 WeakPolarHBondContact O-CG 3.33Å; L794-R798 PolarHBondContact O-N 2.92Å; A795-R798 PolarHBondContact O-N 3.28Å; R798-Q801 PolarHBondContact O-N 3.2Å; R798-G802 PolarHBondContact O-N 3.45Å; R798-N803 PolarHBondContact O-N 2.96Å; R798-L806 HydrophobicContact CG-CD2 4.07Å; R798-A807 HydrophobicContact CB-CB 4.25Å
799Q92Very high92.2Very high40 Ų4046.3 Ų46.319%0.18723%0.234CC..Hα-helixtrans-64.4-46172.3-179.6-179.7500111.1A795 L796 I797 Q801 G802 F804 A807 L831A795-Q799 WeakPolarHBondContact O-CB 3.38Å; A795-Q799 PolarHBondContact O-N 3.22Å; L796-Q799 WeakPolarHBondContact O-CB 3.25Å; L796-Q799 PolarHBondContact O-N 3.17Å; I797-Q799 VanDerWaalsContact C-N 3.33Å; Q799-Q801 VanDerWaalsContact C-N 3.26Å; Q799-Q801 PolarHBondContact O-N 2.95Å; Q799-G802 PolarHBondContact O-N 3.24Å; Q799-F804 HydrophobicContact CG-CE1 4.29Å; Q799-A807 HydrophobicContact CB-CB 4.26Å; Q799-L831 HydrophobicContact CB-CD1 4.07Å; Q799-L831 HydrophobicContact CG-CD1 3.66Å
800S89.8Confident92.4Very high84 Ų8447.6 Ų47.659%0.58724%0.24SC*.Hα-helixtrans-66.9-26.8177.869.40000113.2L796 I797 G802L796-S800 PolarHBondContact O-N 3.02Å; I797-S800 PolarHBondContact O-N 3.28Å; I797-S800 PolarHBondContact O-OG 3.44Å; S800-G802 PolarHBondContact O-N 3.3Å
801Q91.3Very high92.5Very high95 Ų9547.6 Ų47.644%0.44424%0.241SC..THydrogen-bonded Turntrans-77.7-3170.7-68.7171.72.200113.9I797 R798 Q799 N803I797-Q801 VanDerWaalsContact O-CG 3.27Å; I797-Q801 WeakPolarHBondContact O-CG 3.3Å; I797-Q801 PolarHBondContact O-N 3.36Å; I797-Q801 VanDerWaalsContact O-N 3.09Å; R798-Q801 PolarHBondContact O-N 3.2Å; Q799-Q801 VanDerWaalsContact C-N 3.26Å; Q799-Q801 PolarHBondContact O-N 2.95Å; Q801-N803 VanDerWaalsContact C-N 3.35Å
802G87.9Confident92.5Very high41 Ų4151 Ų5142%0.42325%0.251SS..THydrogen-bonded Turntrans80.37.1-178.600000115.1R798 Q799 S800 F804R798-G802 PolarHBondContact O-N 3.45Å; Q799-G802 PolarHBondContact O-N 3.24Å; S800-G802 PolarHBondContact O-N 3.3Å; G802-F804 VanDerWaalsContact C-N 3.31Å; G802-F804 WeakPolarHBondContact O-CD2 3Å; G802-F804 PolarHBondContact O-N 2.98Å; G802-F804 VanDerWaalsContact O-N 3.08Å
803N92.2Very high92.3Very high68 Ų6852.9 Ų52.936%0.36426%0.262SS..  trans-86.968.7177.3-168.1-7.6000111.7R798 Q801 K805 L806 A807R798-N803 PolarHBondContact O-N 2.96Å; Q801-N803 VanDerWaalsContact C-N 3.35Å; N803-K805 PolarHBondContact O-N 3.01Å; N803-L806 PolarHBondContact O-N 3.25Å; N803-L806 PolarHBondContact OD1-N 3.41Å; N803-A807 PolarHBondContact O-N 2.93Å; N803-A807 VanDerWaalsContact O-N 3.16Å
804F90.6Very high92.2Very high78 Ų7851.4 Ų51.434%0.34226%0.257SS..Hα-helixtrans-63.4-21.9-176.8-60-75.3000114.9Q799 G802 E808 L831 A834 K835Q799-F804 HydrophobicContact CG-CE1 4.29Å; G802-F804 VanDerWaalsContact C-N 3.31Å; G802-F804 WeakPolarHBondContact O-CD2 3Å; G802-F804 PolarHBondContact O-N 2.98Å; G802-F804 VanDerWaalsContact O-N 3.08Å; F804-E808 WeakPolarHBondContact O-CB 3.16Å; F804-E808 PolarHBondContact O-N 3.4Å; F804-L831 HydrophobicContact CD1-CD1 3.93Å; F804-A834 HydrophobicContact CE1-CB 4.22Å; F804-K835 HydrophobicContact CB-CD 3.98Å; F804-K835 HydrophobicContact CB-CG 4.05Å; F804-K835 HydrophobicContact CD1-CG 4.26Å; F804-K835 HydrophobicContact CG-CG 4.3Å; F804-K835 PolarHBondContact O-NZ 3.38Å
805K91.1Very high92Very high175 Ų17551.5 Ų51.576%0.76126%0.258SS*.Hα-helixtrans-74.7-46.9179.2-70.5-176.6179.71790111.3N803 K809N803-K805 PolarHBondContact O-N 3.01Å; K805-K809 PolarHBondContact O-N 3Å
806L92Very high91.6Very high67 Ų6759 Ų5935%0.35129%0.286SS..Hα-helixtrans-70.3-40.9179-174.962.8000111.2R798 N803 E808 K809 L810R798-L806 HydrophobicContact CG-CD2 4.07Å; N803-L806 PolarHBondContact O-N 3.25Å; N803-L806 PolarHBondContact OD1-N 3.41Å; L806-E808 VanDerWaalsContact C-N 3.32Å; L806-E808 PolarHBondContact O-N 3.3Å; L806-K809 PolarHBondContact O-N 3.47Å; L806-L810 HydrophobicContact CG-CD1 4.32Å; L806-L810 WeakPolarHBondContact O-CG 3.27Å; L806-L810 PolarHBondContact O-N 2.93Å
807A93.1Very high91.2Very high0 Ų061.2 Ų61.20%030%0.296CS..Hα-helixtrans-57.8-43.4176.200000112A795 R798 Q799 N803 L810 L811 L831A795-A807 WeakPolarHBondContact O-CB 3.43Å; R798-A807 HydrophobicContact CB-CB 4.25Å; Q799-A807 HydrophobicContact CB-CB 4.26Å; N803-A807 PolarHBondContact O-N 2.93Å; N803-A807 VanDerWaalsContact O-N 3.16Å; A807-L810 PolarHBondContact O-N 2.87Å; A807-L811 PolarHBondContact O-N 2.96Å; A807-L831 HydrophobicContact CB-CD1 3.99Å; A807-L831 HydrophobicContact CB-CD2 3.99Å
808E94Very high90.7Very high39 Ų3962.9 Ų62.918%0.18230%0.304CS..Hα-helixtrans-66.1-42.6179.3-172.5-172.7165.300111.8F804 L806 L810 L811 R812 L831 K835F804-E808 WeakPolarHBondContact O-CB 3.16Å; F804-E808 PolarHBondContact O-N 3.4Å; L806-E808 VanDerWaalsContact C-N 3.32Å; L806-E808 PolarHBondContact O-N 3.3Å; E808-L810 VanDerWaalsContact C-N 3.33Å; E808-L810 PolarHBondContact O-N 3.36Å; E808-L811 PolarHBondContact O-N 2.87Å; E808-R812 HydrophobicContact CG-CG 4.27Å; E808-R812 WeakPolarHBondContact O-CB 3.42Å; E808-R812 WeakPolarHBondContact O-CG 3.46Å; E808-R812 PolarHBondContact O-N 2.91Å; E808-R812 IonicContact OE1-CZ 2.78Å; E808-R812 VanDerWaalsContact OE1-CZ 3.23Å; E808-R812 IonicContact OE1-NE 2.59Å; E808-R812 PolarHBondContact OE1-NE 2.93Å; E808-R812 IonicContact OE1-NH2 3.82Å; E808-R812 PolarHBondContact OE1-NH2 2.91Å; E808-L831 HydrophobicContact CB-CD2 3.68Å; E808-L831 HydrophobicContact CG-CD2 4.32Å; E808-L831 VanDerWaalsContact N-CD2 3.29Å; E808-K835 IonicContact OE2-NZ 2.89Å; E808-K835 PolarHBondContact OE2-NZ 3.29Å
809K93.9Very high90.3Very high134 Ų13462.1 Ų62.158%0.58331%0.306SS*.Hα-helixtrans-58.1-49.1176.9-173.7-176.3175.4-171.90110.6K805 L806 R812 D813K805-K809 PolarHBondContact O-N 3Å; L806-K809 PolarHBondContact O-N 3.47Å; K809-R812 PolarHBondContact O-N 3.15Å; K809-D813 WeakPolarHBondContact O-CB 3.48Å; K809-D813 PolarHBondContact O-N 3.34Å
810L93.4Very high89.9Confident27 Ų2764.3 Ų64.314%0.14132%0.317CS..Hα-helixtrans-60.7-47.4178.3-70.3172.9000111.8L794 A795 L806 A807 E808 D813 V814L794-L810 HydrophobicContact CB-CD1 4.33Å; L794-L810 HydrophobicContact CD2-CD1 4Å; L794-L810 HydrophobicContact CG-CD1 3.93Å; A795-L810 HydrophobicContact CB-CB 3.82Å; A795-L810 HydrophobicContact CB-CD1 4.27Å; L806-L810 HydrophobicContact CG-CD1 4.32Å; L806-L810 WeakPolarHBondContact O-CG 3.27Å; L806-L810 PolarHBondContact O-N 2.93Å; A807-L810 PolarHBondContact O-N 2.87Å; E808-L810 VanDerWaalsContact C-N 3.33Å; E808-L810 PolarHBondContact O-N 3.36Å; L810-D813 PolarHBondContact O-N 2.88Å; L810-V814 VanDerWaalsContact O-CG2 3.25Å; L810-V814 WeakPolarHBondContact O-CG2 3.43Å; L810-V814 PolarHBondContact O-N 3.11Å
811L94.1Very high89.7Confident1 Ų162.5 Ų62.51%0.00530%0.301CS..Hα-helixtrans-66.4-38.6179.2-72.2-179000113A795 A807 E808 D813 V814 V815 L827 L828 L831A795-L811 HydrophobicContact CB-CD1 4.5Å; A795-L811 HydrophobicContact CB-CD2 3.77Å; A795-L811 HydrophobicContact CB-CG 3.69Å; A807-L811 PolarHBondContact O-N 2.96Å; E808-L811 PolarHBondContact O-N 2.87Å; L811-D813 VanDerWaalsContact C-N 3.31Å; L811-D813 PolarHBondContact O-N 3.37Å; L811-V814 PolarHBondContact O-N 3.28Å; L811-V815 WeakPolarHBondContact O-CG2 3.48Å; L811-V815 PolarHBondContact O-N 3.35Å; L811-L827 HydrophobicContact CD1-CB 4.17Å; L811-L827 WeakPolarHBondContact CD1-O 3.22Å; L811-L827 HydrophobicContact CD2-CB 4.1Å; L811-L827 HydrophobicContact CD2-CD1 4.46Å; L811-L828 HydrophobicContact CB-CD1 4.02Å; L811-L831 HydrophobicContact CD1-CB 3.96Å; L811-L831 HydrophobicContact CD1-CD2 3.75Å; L811-L831 HydrophobicContact CD1-CG 4.42Å
812R92.6Very high89.7Confident81 Ų8159 Ų5931%0.30629%0.287SS..Hα-helixtrans-64.1-38.9173.9-74-170.5-174.2-96.14.1111.2E808 K809 R816 L828 E840E808-R812 HydrophobicContact CG-CG 4.27Å; E808-R812 WeakPolarHBondContact O-CB 3.42Å; E808-R812 WeakPolarHBondContact O-CG 3.46Å; E808-R812 PolarHBondContact O-N 2.91Å; E808-R812 IonicContact OE1-CZ 2.78Å; E808-R812 VanDerWaalsContact OE1-CZ 3.23Å; E808-R812 IonicContact OE1-NE 2.59Å; E808-R812 PolarHBondContact OE1-NE 2.93Å; E808-R812 IonicContact OE1-NH2 3.82Å; E808-R812 PolarHBondContact OE1-NH2 2.91Å; K809-R812 PolarHBondContact O-N 3.15Å; R812-R816 VanDerWaalsContact O-CG 3.31Å; R812-R816 WeakPolarHBondContact O-CG 3.49Å; R812-R816 PolarHBondContact O-N 2.94Å; R812-L828 HydrophobicContact CG-CD1 4.06Å; R812-L828 HydrophobicContact CG-CD2 4.42Å; R812-E840 IonicContact CZ-OE2 3.43Å; R812-E840 IonicContact NH1-OE2 3.7Å; R812-E840 IonicContact NH2-OE2 3.13Å; R812-E840 PolarHBondContact NH2-OE2 2.99Å
813D90.1Very high89.8Confident53 Ų5361.6 Ų61.628%0.28328%0.284SS..Hα-helixtrans-65.6-43.1174.5-66.7-20.9000110.4K809 L810 L811 V815 R816 M817K809-D813 WeakPolarHBondContact O-CB 3.48Å; K809-D813 PolarHBondContact O-N 3.34Å; L810-D813 PolarHBondContact O-N 2.88Å; L811-D813 VanDerWaalsContact C-N 3.31Å; L811-D813 PolarHBondContact O-N 3.37Å; D813-V815 PolarHBondContact O-N 3.08Å; D813-R816 WeakPolarHBondContact O-CB 3.4Å; D813-R816 PolarHBondContact O-N 2.77Å; D813-R816 VanDerWaalsContact O-N 3.15Å; D813-R816 IonicContact OD1-CZ 3.23Å; D813-R816 IonicContact OD1-NH1 2.81Å; D813-R816 PolarHBondContact OD1-NH1 2.95Å; D813-M817 WeakPolarHBondContact O-CG 3.16Å; D813-M817 PolarHBondContact O-N 3.48Å
814V90.7Very high89.8Confident2 Ų258.3 Ų58.31%0.01227%0.267CS..Hα-helixtrans-58.6-46.7174.3169.50000112.3A788 A791 R792 L810 L811 R816 M817 E818 N824A788-V814 HydrophobicContact CB-CG1 4.42Å; A788-V814 WeakPolarHBondContact O-CG2 3.06Å; A791-V814 HydrophobicContact CB-CG2 3.46Å; A791-V814 VanDerWaalsContact CB-CG2 3.46Å; R792-V814 HydrophobicContact CB-CG1 4.42Å; R792-V814 HydrophobicContact CB-CG2 4.44Å; L810-V814 VanDerWaalsContact O-CG2 3.25Å; L810-V814 WeakPolarHBondContact O-CG2 3.43Å; L810-V814 PolarHBondContact O-N 3.11Å; L811-V814 PolarHBondContact O-N 3.28Å; V814-R816 VanDerWaalsContact C-N 3.27Å; V814-R816 PolarHBondContact O-N 3.45Å; V814-M817 PolarHBondContact O-N 3.25Å; V814-M817 VanDerWaalsContact O-N 3.07Å; V814-E818 PolarHBondContact O-N 2.88Å; V814-N824 HydrophobicContact CG1-CB 4.19Å; V814-N824 VanDerWaalsContact CG1-CG 3.48Å; V814-N824 WeakPolarHBondContact CG1-OD1 3.49Å
815V90.2Very high89.9Confident12 Ų1257.1 Ų57.17%0.07326%0.26CS..Hα-helixtrans-62.9-34.6177.1168.80000111.6L811 D813 M817 E818 P819 N824 W825 L828L811-V815 WeakPolarHBondContact O-CG2 3.48Å; L811-V815 PolarHBondContact O-N 3.35Å; D813-V815 PolarHBondContact O-N 3.08Å; V815-M817 VanDerWaalsContact C-N 3.34Å; V815-E818 CarbonylContact O-C 3.36Å; V815-P819 WeakPolarHBondContact O-CA 3.29Å; V815-N824 HydrophobicContact CG2-CB 3.89Å; V815-W825 HydrophobicContact CG1-CD2 4.02Å; V815-W825 HydrophobicContact CG1-CE3 4.05Å; V815-W825 HydrophobicContact CG1-CH2 3.4Å; V815-W825 HydrophobicContact CG1-CZ2 3.33Å; V815-W825 HydrophobicContact CG1-CZ3 3.76Å; V815-W825 HydrophobicContact CG2-CD2 4.48Å; V815-L828 HydrophobicContact CG2-CB 4.4Å; V815-L828 HydrophobicContact CG2-CD2 4.05Å
816R86.2Confident90.1Very high158 Ų15851.4 Ų51.460%0.59624%0.237SC*.Hα-helixtrans-68.8-31.2173-71.9177.9-157.7144.69.1112.8L493 R812 D813 V814L493-R816 WeakPolarHBondContact CD1-O 3.19Å; R812-R816 VanDerWaalsContact O-CG 3.31Å; R812-R816 WeakPolarHBondContact O-CG 3.49Å; R812-R816 PolarHBondContact O-N 2.94Å; D813-R816 WeakPolarHBondContact O-CB 3.4Å; D813-R816 PolarHBondContact O-N 2.77Å; D813-R816 VanDerWaalsContact O-N 3.15Å; D813-R816 IonicContact OD1-CZ 3.23Å; D813-R816 IonicContact OD1-NH1 2.81Å; D813-R816 PolarHBondContact OD1-NH1 2.95Å; V814-R816 VanDerWaalsContact C-N 3.27Å; V814-R816 PolarHBondContact O-N 3.45Å
817M83.6Confident90.2Very high81 Ų8148.3 Ų48.340%0.39922%0.221SC..Hα-helixtrans-76.3-45.4176.6-63.6-51.5-60.700111.5H786 A788 D813 V814 V815 P819H786-M817 HydrophobicContact CB-CE 3.72Å; H786-M817 VanDerWaalsContact CD2-CE 3.4Å; H786-M817 WeakPolarHBondContact CD2-CE 3.48Å; A788-M817 HydrophobicContact CB-CB 4.42Å; D813-M817 WeakPolarHBondContact O-CG 3.16Å; D813-M817 PolarHBondContact O-N 3.48Å; V814-M817 PolarHBondContact O-N 3.25Å; V814-M817 VanDerWaalsContact O-N 3.07Å; V815-M817 VanDerWaalsContact C-N 3.34Å; M817-P819 WeakPolarHBondContact O-CD 3.41Å
818E83.6Confident90.2Very high35 Ų3548.6 Ų48.616%0.16422%0.223CC..  trans-127.976.7-174.9-71.2-177174.300111.8E697 A788 R792 V814 V815 M820 N821 N824E697-E818 WeakPolarHBondContact CG-OE1 3.09Å; A788-E818 VanDerWaalsContact CB-CD 3.48Å; A788-E818 HydrophobicContact CB-CG 3.93Å; A788-E818 WeakPolarHBondContact CB-OE1 3.26Å; R792-E818 IonicContact NH2-OE2 2.59Å; R792-E818 PolarHBondContact NH2-OE2 3.38Å; V814-E818 PolarHBondContact O-N 2.88Å; V815-E818 CarbonylContact O-C 3.36Å; E818-M820 VanDerWaalsContact C-N 3.29Å; E818-M820 PolarHBondContact O-N 3.15Å; E818-N821 HydrophobicContact CB-CB 4.23Å; E818-N821 PolarHBondContact OE2-ND2 3.04Å; E818-N824 VanDerWaalsContact CB-ND2 3.28Å; E818-N824 WeakPolarHBondContact CB-ND2 3.46Å; E818-N824 PolarHBondContact O-ND2 3.02Å; E818-N824 VanDerWaalsContact O-ND2 3.07Å; E818-N824 PolarHBondContact OE2-ND2 3.49Å
819P83.7Confident90.2Very high33 Ų3346.8 Ų46.821%0.21421%0.214CC..THydrogen-bonded Turntrans-74.8-21.4-177.930.3-37.3000112.7L493 V815 M817 N821 W825 L851L493-P819 HydrophobicContact CD1-CG 3.5Å; L493-P819 HydrophobicContact CD2-CG 3.79Å; L493-P819 HydrophobicContact CG-CG 4.29Å; V815-P819 WeakPolarHBondContact O-CA 3.29Å; M817-P819 WeakPolarHBondContact O-CD 3.41Å; P819-N821 VanDerWaalsContact C-N 3.29Å; P819-W825 PolarHBondContact O-NE1 2.9Å; P819-L851 WeakPolarHBondContact O-CD1 2.88Å
820M84.1Confident90.2Very high86 Ų8644.9 Ų44.942%0.42421%0.207SC..THydrogen-bonded Turntrans-86.21-177.9-65.3-63.2-178.300113.3R533 E818 L851R533-M820 HydrophobicContact CG-CE 4.29Å; R533-M820 HydrophobicContact CG-SD 3.94Å; E818-M820 VanDerWaalsContact C-N 3.29Å; E818-M820 PolarHBondContact O-N 3.15Å; M820-L851 HydrophobicContact SD-CD2 3.98Å
821N86.3Confident90.2Very high47 Ų4743.6 Ų43.625%0.25120%0.201SC..  trans-97.1108.6179.1-175.5-14.4000109.1R792 E818 P819 Y823 N824R792-N821 PolarHBondContact NH2-ND2 3.24Å; E818-N821 HydrophobicContact CB-CB 4.23Å; E818-N821 PolarHBondContact OE2-ND2 3.04Å; P819-N821 VanDerWaalsContact C-N 3.29Å; N821-Y823 PolarHBondContact O-N 3.38Å; N821-Y823 WeakPolarHBondContact OD1-CB 3.23Å; N821-Y823 PolarHBondContact OD1-N 2.98Å; N821-N824 WeakPolarHBondContact CB-ND2 3.49Å; N821-N824 WeakPolarHBondContact O-CB 3.46Å; N821-N824 PolarHBondContact O-N 3.05Å
822S89.5Confident90.1Very high21 Ų2143.7 Ų43.715%0.14720%0.201CC..Hα-helixtrans-57.5-37.3-178.254.30000112.2N824 W825 I826 S848S822-N824 VanDerWaalsContact C-N 3.27Å; S822-N824 PolarHBondContact O-N 2.99Å; S822-W825 WeakPolarHBondContact O-CB 3.39Å; S822-W825 PolarHBondContact O-N 3.21Å; S822-I826 PolarHBondContact O-N 3.1Å; S822-I826 VanDerWaalsContact O-N 3.15Å; S822-S848 WeakPolarHBondContact CB-O 3.49Å; S822-S848 PolarHBondContact O-OG 3.46Å; S822-S848 VanDerWaalsContact O-OG 3.14Å
823Y91.3Very high90.1Very high95 Ų9543 Ų4337%0.37321%0.206SC..Hα-helixtrans-60.9-34.7-178.5-173.2-120.9000113N821 W825 I826 L827N821-Y823 PolarHBondContact O-N 3.38Å; N821-Y823 WeakPolarHBondContact OD1-CB 3.23Å; N821-Y823 PolarHBondContact OD1-N 2.98Å; Y823-W825 VanDerWaalsContact C-N 3.28Å; Y823-W825 PolarHBondContact O-N 3.32Å; Y823-I826 PolarHBondContact O-N 2.75Å; Y823-L827 HydrophobicContact CD1-CD1 4.05Å; Y823-L827 HydrophobicContact CE1-CD1 3.61Å; Y823-L827 HydrophobicContact CE1-CG 4.19Å; Y823-L827 HydrophobicContact CE2-CD2 4.23Å; Y823-L827 HydrophobicContact CE2-CG 4.24Å; Y823-L827 WeakPolarHBondContact O-CG 3.19Å; Y823-L827 PolarHBondContact O-N 2.63Å; Y823-L827 VanDerWaalsContact O-N 3.09Å
824N91.6Very high90Very high0 Ų043.2 Ų43.20%022%0.215CC..Hα-helixtrans-62.5-37.7176.7-67.2-21.6000111.9R792 V814 V815 E818 N821 S822 L828R792-N824 PolarHBondContact NE-OD1 3.11Å; R792-N824 PolarHBondContact NH2-OD1 3.34Å; V814-N824 HydrophobicContact CG1-CB 4.19Å; V814-N824 VanDerWaalsContact CG1-CG 3.48Å; V814-N824 WeakPolarHBondContact CG1-OD1 3.49Å; V815-N824 HydrophobicContact CG2-CB 3.89Å; E818-N824 VanDerWaalsContact CB-ND2 3.28Å; E818-N824 WeakPolarHBondContact CB-ND2 3.46Å; E818-N824 PolarHBondContact O-ND2 3.02Å; E818-N824 VanDerWaalsContact O-ND2 3.07Å; E818-N824 PolarHBondContact OE2-ND2 3.49Å; N821-N824 WeakPolarHBondContact CB-ND2 3.49Å; N821-N824 WeakPolarHBondContact O-CB 3.46Å; N821-N824 PolarHBondContact O-N 3.05Å; S822-N824 VanDerWaalsContact C-N 3.27Å; S822-N824 PolarHBondContact O-N 2.99Å; N824-L828 PolarHBondContact O-N 3.32Å; N824-L828 VanDerWaalsContact O-N 3.09Å
825W94Very high90Very high53 Ų5346.6 Ų46.620%0.20123%0.23CC..Hα-helixtrans-72.8-36.6178.3-67.5102000112.4V815 P819 S822 Y823 L828 G829 C844 L851V815-W825 HydrophobicContact CG1-CD2 4.02Å; V815-W825 HydrophobicContact CG1-CE3 4.05Å; V815-W825 HydrophobicContact CG1-CH2 3.4Å; V815-W825 HydrophobicContact CG1-CZ2 3.33Å; V815-W825 HydrophobicContact CG1-CZ3 3.76Å; V815-W825 HydrophobicContact CG2-CD2 4.48Å; P819-W825 PolarHBondContact O-NE1 2.9Å; S822-W825 WeakPolarHBondContact O-CB 3.39Å; S822-W825 PolarHBondContact O-N 3.21Å; Y823-W825 VanDerWaalsContact C-N 3.28Å; Y823-W825 PolarHBondContact O-N 3.32Å; W825-L828 PolarHBondContact O-N 3.13Å; W825-G829 PolarHBondContact O-N 3.27Å; W825-C844 HydrophobicContact CE3-CB 4.28Å; W825-L851 VanDerWaalsContact CD1-CD1 3.43Å; W825-L851 HydrophobicContact CG-CD1 4.47Å
826I94.4Very high89.8Confident54 Ų5448.6 Ų48.628%0.27725%0.253SS..Hα-helixtrans-58.7-51.2172.6-59.9179.5000109.9S822 Y823 L828 G829 E830 F845 S848S822-I826 PolarHBondContact O-N 3.1Å; S822-I826 VanDerWaalsContact O-N 3.15Å; Y823-I826 PolarHBondContact O-N 2.75Å; I826-L828 VanDerWaalsContact C-N 3.33Å; I826-L828 PolarHBondContact O-N 3.43Å; I826-G829 PolarHBondContact O-N 3.08Å; I826-G829 VanDerWaalsContact O-N 3.13Å; I826-E830 HydrophobicContact CG2-CG 4.31Å; I826-E830 WeakPolarHBondContact O-CG 3.46Å; I826-E830 PolarHBondContact O-N 3.2Å; I826-F845 HydrophobicContact CG2-CE1 4.38Å; I826-S848 WeakPolarHBondContact CG1-OG 3.39Å
827L93.7Very high90Very high3 Ų343.7 Ų43.72%0.01624%0.24CC..Hα-helixtrans-62-40.7-178.7-68.9-178.5000112.6R792 L796 L811 Y823 L831R792-L827 HydrophobicContact CG-CD1 3.32Å; L796-L827 HydrophobicContact CD1-CD1 4.41Å; L796-L827 HydrophobicContact CD1-CD2 4.49Å; L796-L827 HydrophobicContact CD2-CD2 3.77Å; L811-L827 HydrophobicContact CD1-CB 4.17Å; L811-L827 WeakPolarHBondContact CD1-O 3.22Å; L811-L827 HydrophobicContact CD2-CB 4.1Å; L811-L827 HydrophobicContact CD2-CD1 4.46Å; Y823-L827 HydrophobicContact CD1-CD1 4.05Å; Y823-L827 HydrophobicContact CE1-CD1 3.61Å; Y823-L827 HydrophobicContact CE1-CG 4.19Å; Y823-L827 HydrophobicContact CE2-CD2 4.23Å; Y823-L827 HydrophobicContact CE2-CG 4.24Å; Y823-L827 WeakPolarHBondContact O-CG 3.19Å; Y823-L827 PolarHBondContact O-N 2.63Å; Y823-L827 VanDerWaalsContact O-N 3.09Å; L827-L831 WeakPolarHBondContact O-CB 3.47Å; L827-L831 PolarHBondContact O-N 3.37Å
828L94.2Very high90.3Very high6 Ų645 Ų453%0.03125%0.249CC..Hα-helixtrans-64.5-42.6174.9-177.961.2000111L811 R812 V815 N824 W825 I826 L831 L832L811-L828 HydrophobicContact CB-CD1 4.02Å; R812-L828 HydrophobicContact CG-CD1 4.06Å; R812-L828 HydrophobicContact CG-CD2 4.42Å; V815-L828 HydrophobicContact CG2-CB 4.4Å; V815-L828 HydrophobicContact CG2-CD2 4.05Å; N824-L828 PolarHBondContact O-N 3.32Å; N824-L828 VanDerWaalsContact O-N 3.09Å; W825-L828 PolarHBondContact O-N 3.13Å; I826-L828 VanDerWaalsContact C-N 3.33Å; I826-L828 PolarHBondContact O-N 3.43Å; L828-L831 PolarHBondContact O-N 3.28Å; L828-L832 HydrophobicContact CD1-CD1 4.26Å; L828-L832 HydrophobicContact CD1-CG 4.34Å; L828-L832 HydrophobicContact CG-CD1 4Å; L828-L832 WeakPolarHBondContact O-CB 3.43Å; L828-L832 VanDerWaalsContact O-CG 3.23Å; L828-L832 WeakPolarHBondContact O-CG 3.5Å; L828-L832 PolarHBondContact O-N 3.34Å
829G94Very high90.7Very high0 Ų047.4 Ų47.40%027%0.269CS..Hα-helixtrans-60.2-47.8175.200000112.6W825 I826 L831 L832 T833W825-G829 PolarHBondContact O-N 3.27Å; I826-G829 PolarHBondContact O-N 3.08Å; I826-G829 VanDerWaalsContact O-N 3.13Å; G829-L831 VanDerWaalsContact C-N 3.34Å; G829-L831 PolarHBondContact O-N 3.45Å; G829-L832 PolarHBondContact O-N 3.06Å; G829-T833 PolarHBondContact O-N 2.82Å; G829-T833 PolarHBondContact O-OG1 3.39Å
830E93.1Very high91.1Very high95 Ų9549.7 Ų49.744%0.44428%0.277SS..Hα-helixtrans-60.2-42176.8-73.4178.7174.700112.2I826 A834 F845I826-E830 HydrophobicContact CG2-CG 4.31Å; I826-E830 WeakPolarHBondContact O-CG 3.46Å; I826-E830 PolarHBondContact O-N 3.2Å; E830-A834 WeakPolarHBondContact O-CB 3.27Å; E830-A834 PolarHBondContact O-N 3.23Å; E830-F845 HydrophobicContact CG-CE1 4.3Å; E830-F845 HydrophobicContact CG-CZ 4.29Å
831L92.7Very high91.5Very high0 Ų045.7 Ų45.70%026%0.258CS..Hα-helixtrans-64.5-41175.7-176.173.1000111.7Q799 F804 A807 E808 L811 L827 L828 G829 A834 K835Q799-L831 HydrophobicContact CB-CD1 4.07Å; Q799-L831 HydrophobicContact CG-CD1 3.66Å; F804-L831 HydrophobicContact CD1-CD1 3.93Å; A807-L831 HydrophobicContact CB-CD1 3.99Å; A807-L831 HydrophobicContact CB-CD2 3.99Å; E808-L831 HydrophobicContact CB-CD2 3.68Å; E808-L831 HydrophobicContact CG-CD2 4.32Å; E808-L831 VanDerWaalsContact N-CD2 3.29Å; L811-L831 HydrophobicContact CD1-CB 3.96Å; L811-L831 HydrophobicContact CD1-CD2 3.75Å; L811-L831 HydrophobicContact CD1-CG 4.42Å; L827-L831 WeakPolarHBondContact O-CB 3.47Å; L827-L831 PolarHBondContact O-N 3.37Å; L828-L831 PolarHBondContact O-N 3.28Å; G829-L831 VanDerWaalsContact C-N 3.34Å; G829-L831 PolarHBondContact O-N 3.45Å; L831-A834 PolarHBondContact O-N 3.06Å; L831-K835 WeakPolarHBondContact O-CG 3.24Å; L831-K835 PolarHBondContact O-N 3.43Å; L831-K835 VanDerWaalsContact O-N 3.14Å
832L93Very high91.9Very high3 Ų346.1 Ų46.12%0.01627%0.268CS..Hα-helixtrans-68.9-39.5179.1-72170000112L828 G829 A834 K835 G836 V837 E840 A841L828-L832 HydrophobicContact CD1-CD1 4.26Å; L828-L832 HydrophobicContact CD1-CG 4.34Å; L828-L832 HydrophobicContact CG-CD1 4Å; L828-L832 WeakPolarHBondContact O-CB 3.43Å; L828-L832 VanDerWaalsContact O-CG 3.23Å; L828-L832 WeakPolarHBondContact O-CG 3.5Å; L828-L832 PolarHBondContact O-N 3.34Å; G829-L832 PolarHBondContact O-N 3.06Å; L832-A834 VanDerWaalsContact C-N 3.32Å; L832-A834 PolarHBondContact O-N 3.18Å; L832-K835 CarbonylContact O-C 3.44Å; L832-K835 PolarHBondContact O-N 3.16Å; L832-K835 VanDerWaalsContact O-N 3.08Å; L832-G836 PolarHBondContact O-N 2.9Å; L832-V837 HydrophobicContact CD2-CB 4.48Å; L832-V837 PolarHBondContact O-N 2.66Å; L832-E840 HydrophobicContact CD1-CB 3.84Å; L832-A841 HydrophobicContact CB-CB 3.88Å
833T92.7Very high92.1Very high66 Ų6650 Ų5041%0.40529%0.287SS..Hα-helixtrans-59.1-44.3170.7-56.80000110.7G829 K835 G836 A841G829-T833 PolarHBondContact O-N 2.82Å; G829-T833 PolarHBondContact O-OG1 3.39Å; T833-K835 PolarHBondContact O-N 3.1Å; T833-G836 PolarHBondContact O-N 3.31Å; T833-A841 WeakPolarHBondContact OG1-CB 3.42Å
834A88.6Confident92.1Very high58 Ų5846 Ų4648%0.47927%0.273SS..Hα-helixtrans-63.5-24176.400000113.4F804 E830 L831 L832F804-A834 HydrophobicContact CE1-CB 4.22Å; E830-A834 WeakPolarHBondContact O-CB 3.27Å; E830-A834 PolarHBondContact O-N 3.23Å; L831-A834 PolarHBondContact O-N 3.06Å; L832-A834 VanDerWaalsContact C-N 3.32Å; L832-A834 PolarHBondContact O-N 3.18Å
835K88.7Confident92.3Very high72 Ų7249.4 Ų49.431%0.31329%0.288SS..Hα-helixtrans-88.7-10.1174.4-67.2178.991.4165.70113.6F804 E808 L831 L832 T833F804-K835 HydrophobicContact CB-CD 3.98Å; F804-K835 HydrophobicContact CB-CG 4.05Å; F804-K835 HydrophobicContact CD1-CG 4.26Å; F804-K835 HydrophobicContact CG-CG 4.3Å; F804-K835 PolarHBondContact O-NZ 3.38Å; E808-K835 IonicContact OE2-NZ 2.89Å; E808-K835 PolarHBondContact OE2-NZ 3.29Å; L831-K835 WeakPolarHBondContact O-CG 3.24Å; L831-K835 PolarHBondContact O-N 3.43Å; L831-K835 VanDerWaalsContact O-N 3.14Å; L832-K835 CarbonylContact O-C 3.44Å; L832-K835 PolarHBondContact O-N 3.16Å; L832-K835 VanDerWaalsContact O-N 3.08Å; T833-K835 PolarHBondContact O-N 3.1Å
836G87.3Confident92.3Very high54 Ų5450 Ų5056%0.55730%0.3SS*.THydrogen-bonded Turntrans83.322.7-178.300000114.9L832 T833L832-G836 PolarHBondContact O-N 2.9Å; T833-G836 PolarHBondContact O-N 3.31Å
837V90.6Very high92.1Very high55 Ų5549.8 Ų49.833%0.33330%0.301SS..  trans-10372.9176.3-169.80000109.5L832 S839 E840 A841L832-V837 HydrophobicContact CD2-CB 4.48Å; L832-V837 PolarHBondContact O-N 2.66Å; V837-S839 VanDerWaalsContact C-N 3.32Å; V837-S839 PolarHBondContact O-N 3.08Å; V837-E840 HydrophobicContact CG1-CB 3.96Å; V837-E840 HydrophobicContact CG1-CG 3.92Å; V837-A841 WeakPolarHBondContact O-CB 3.47Å; V837-A841 PolarHBondContact O-N 3.45Å
838D90.2Very high92Very high109 Ų10949.9 Ų49.958%0.58330%0.302SS*.Hα-helixtrans-66.8-29.4-170-60.4-30.5000113.8A841 A842D838-A841 PolarHBondContact O-N 3.44Å; D838-A842 WeakPolarHBondContact O-CB 3.36Å; D838-A842 PolarHBondContact O-N 3.24Å
839S91.6Very high91.9Very high85 Ų8556 Ų5659%0.59433%0.332SS*.Hα-helixtrans-68.1-49.9-179.560.60000112.4V837 A841 A842 D843V837-S839 VanDerWaalsContact C-N 3.32Å; V837-S839 PolarHBondContact O-N 3.08Å; S839-A841 VanDerWaalsContact C-N 3.28Å; S839-A841 PolarHBondContact O-N 2.69Å; S839-A842 PolarHBondContact O-N 3.15Å; S839-D843 PolarHBondContact O-N 3.2Å
840E92Very high91.8Very high82 Ų8258.8 Ų58.838%0.38336%0.355SS..Hα-helixtrans-67-33.1176.6-67.4-172.4-164.200111.1R812 L832 V837 D843 C844R812-E840 IonicContact CZ-OE2 3.43Å; R812-E840 IonicContact NH1-OE2 3.7Å; R812-E840 IonicContact NH2-OE2 3.13Å; R812-E840 PolarHBondContact NH2-OE2 2.99Å; L832-E840 HydrophobicContact CD1-CB 3.84Å; V837-E840 HydrophobicContact CG1-CB 3.96Å; V837-E840 HydrophobicContact CG1-CG 3.92Å; E840-D843 PolarHBondContact O-N 3.34Å; E840-C844 PolarHBondContact O-N 3.36Å; E840-C844 PolarHBondContact O-SG 3.12Å
841A92.8Very high91.5Very high2 Ų255.3 Ų55.32%0.01734%0.34CS..Hα-helixtrans-63.3-44.8175.200000111.7L832 T833 V837 D838 S839 D843 C844 F845L832-A841 HydrophobicContact CB-CB 3.88Å; T833-A841 WeakPolarHBondContact OG1-CB 3.42Å; V837-A841 WeakPolarHBondContact O-CB 3.47Å; V837-A841 PolarHBondContact O-N 3.45Å; D838-A841 PolarHBondContact O-N 3.44Å; S839-A841 VanDerWaalsContact C-N 3.28Å; S839-A841 PolarHBondContact O-N 2.69Å; A841-D843 VanDerWaalsContact C-N 3.34Å; A841-D843 PolarHBondContact O-N 3.37Å; A841-C844 WeakPolarHBondContact O-CB 3.14Å; A841-C844 PolarHBondContact O-N 3.26Å; A841-F845 HydrophobicContact CB-CE2 4.12Å; A841-F845 WeakPolarHBondContact O-CD2 3.42Å; A841-F845 WeakPolarHBondContact O-CG 3.39Å; A841-F845 PolarHBondContact O-N 3.28Å
842A93.5Very high91.3Very high55 Ų5556.9 Ų56.946%0.45535%0.352SS..Hα-helixtrans-60.3-42.1176.800000112.2D838 S839 C844 F845 S846D838-A842 WeakPolarHBondContact O-CB 3.36Å; D838-A842 PolarHBondContact O-N 3.24Å; S839-A842 PolarHBondContact O-N 3.15Å; A842-C844 PolarHBondContact O-N 3.37Å; A842-F845 PolarHBondContact O-N 3.45Å; A842-S846 WeakPolarHBondContact O-CB 3.4Å; A842-S846 PolarHBondContact O-N 2.9Å
843D93.6Very high91Very high104 Ų10462.1 Ų62.156%0.55638%0.381SS*.Hα-helixtrans-60.9-45.6174.5-68.1-23.4000110.7S839 E840 A841 F845 S846 T847S839-D843 PolarHBondContact O-N 3.2Å; E840-D843 PolarHBondContact O-N 3.34Å; A841-D843 VanDerWaalsContact C-N 3.34Å; A841-D843 PolarHBondContact O-N 3.37Å; D843-F845 PolarHBondContact O-N 3.42Å; D843-S846 PolarHBondContact O-N 3.33Å; D843-S846 PolarHBondContact O-OG 3.37Å; D843-T847 WeakPolarHBondContact O-CG2 3.39Å; D843-T847 PolarHBondContact O-N 3.06Å; D843-T847 PolarHBondContact O-OG1 3.07Å
844C92.8Very high90.7Very high10 Ų1061.3 Ų61.37%0.06837%0.373CS..Hα-helixtrans-59.2-45.1175.9-66.40000112W825 E840 A841 A842 S846 T847 S848W825-C844 HydrophobicContact CE3-CB 4.28Å; E840-C844 PolarHBondContact O-N 3.36Å; E840-C844 PolarHBondContact O-SG 3.12Å; A841-C844 WeakPolarHBondContact O-CB 3.14Å; A841-C844 PolarHBondContact O-N 3.26Å; A842-C844 PolarHBondContact O-N 3.37Å; C844-S846 PolarHBondContact O-N 3.07Å; C844-T847 PolarHBondContact O-N 2.92Å; C844-T847 PolarHBondContact O-OG1 3.37Å; C844-S848 WeakPolarHBondContact O-CB 3.36Å; C844-S848 PolarHBondContact O-N 3.16Å
845F95Very high90.7Very high71 Ų7159.9 Ų59.931%0.31136%0.36SS..Hα-helixtrans-65.2-39.2177.1-65.3-52.8000112.5I826 E830 A841 A842 D843 T847 S848 M849I826-F845 HydrophobicContact CG2-CE1 4.38Å; E830-F845 HydrophobicContact CG-CE1 4.3Å; E830-F845 HydrophobicContact CG-CZ 4.29Å; A841-F845 HydrophobicContact CB-CE2 4.12Å; A841-F845 WeakPolarHBondContact O-CD2 3.42Å; A841-F845 WeakPolarHBondContact O-CG 3.39Å; A841-F845 PolarHBondContact O-N 3.28Å; A842-F845 PolarHBondContact O-N 3.45Å; D843-F845 PolarHBondContact O-N 3.42Å; F845-T847 PolarHBondContact O-N 3.31Å; F845-S848 WeakPolarHBondContact O-CB 3.45Å; F845-S848 PolarHBondContact O-N 3.03Å; F845-M849 WeakPolarHBondContact O-CG 3.44Å; F845-M849 PolarHBondContact O-N 3.18Å
846S93.4Very high90.8Very high66 Ų6657.3 Ų57.346%0.46235%0.35SS..Hα-helixtrans-63.2-42.6177.275.70000112.2A842 D843 C844 M849 A850A842-S846 WeakPolarHBondContact O-CB 3.4Å; A842-S846 PolarHBondContact O-N 2.9Å; D843-S846 PolarHBondContact O-N 3.33Å; D843-S846 PolarHBondContact O-OG 3.37Å; C844-S846 PolarHBondContact O-N 3.07Å; S846-M849 PolarHBondContact O-N 3.48Å; S846-A850 PolarHBondContact O-N 3.33Å; S846-A850 VanDerWaalsContact O-N 3.13Å
847T91.3Very high90.9Very high50 Ų5057 Ų5731%0.30734%0.336SS..Hα-helixtrans-65.9-39.4175.259.20000111.5D843 C844 F845 A850 L851D843-T847 WeakPolarHBondContact O-CG2 3.39Å; D843-T847 PolarHBondContact O-N 3.06Å; D843-T847 PolarHBondContact O-OG1 3.07Å; C844-T847 PolarHBondContact O-N 2.92Å; C844-T847 PolarHBondContact O-OG1 3.37Å; F845-T847 PolarHBondContact O-N 3.31Å; T847-A850 PolarHBondContact O-N 2.75Å; T847-L851 WeakPolarHBondContact O-CB 3.28Å; T847-L851 VanDerWaalsContact O-CG 3.27Å; T847-L851 WeakPolarHBondContact O-CG 3.36Å; T847-L851 PolarHBondContact O-N 3.49Å
848S91.8Very high90.8Very high5 Ų554.9 Ų54.94%0.03532%0.322CS..Hα-helixtrans-60.3-46.1174.6179.10000112.4S822 I826 C844 F845 L851 A852S822-S848 WeakPolarHBondContact CB-O 3.49Å; S822-S848 PolarHBondContact O-OG 3.46Å; S822-S848 VanDerWaalsContact O-OG 3.14Å; I826-S848 WeakPolarHBondContact CG1-OG 3.39Å; C844-S848 WeakPolarHBondContact O-CB 3.36Å; C844-S848 PolarHBondContact O-N 3.16Å; F845-S848 WeakPolarHBondContact O-CB 3.45Å; F845-S848 PolarHBondContact O-N 3.03Å; S848-L851 PolarHBondContact O-N 2.98Å; S848-A852 WeakPolarHBondContact O-CB 3.48Å; S848-A852 PolarHBondContact O-N 3.4Å
849M92Very high90.6Very high133 Ų13352.8 Ų52.866%0.65532%0.315SS*.Hα-helixtrans-60.9-48179.3-73179.767.600110.7F845 S846 L851 A852 D853F845-M849 WeakPolarHBondContact O-CG 3.44Å; F845-M849 PolarHBondContact O-N 3.18Å; S846-M849 PolarHBondContact O-N 3.48Å; M849-L851 VanDerWaalsContact C-N 3.26Å; M849-L851 PolarHBondContact O-N 2.88Å; M849-A852 PolarHBondContact O-N 3.13Å; M849-A852 VanDerWaalsContact O-N 3.17Å; M849-D853 PolarHBondContact O-N 2.79Å
850A90.2Very high90.5Very high59 Ų5948.9 Ų48.949%0.48829%0.287SS..Hα-helixtrans-59-37177.500000112.8S846 T847 I854S846-A850 PolarHBondContact O-N 3.33Å; S846-A850 VanDerWaalsContact O-N 3.13Å; T847-A850 PolarHBondContact O-N 2.75Å; A850-I854 WeakPolarHBondContact O-CG1 3.25Å
851L88.6Confident90.2Very high23 Ų2347.2 Ų47.212%0.1229%0.285CS..Hα-helixtrans-76-35.3177-71.3170.9000113.1P819 M820 W825 T847 S848 M849 D853 I854 S855P819-L851 WeakPolarHBondContact O-CD1 2.88Å; M820-L851 HydrophobicContact SD-CD2 3.98Å; W825-L851 VanDerWaalsContact CD1-CD1 3.43Å; W825-L851 HydrophobicContact CG-CD1 4.47Å; T847-L851 WeakPolarHBondContact O-CB 3.28Å; T847-L851 VanDerWaalsContact O-CG 3.27Å; T847-L851 WeakPolarHBondContact O-CG 3.36Å; T847-L851 PolarHBondContact O-N 3.49Å; S848-L851 PolarHBondContact O-N 2.98Å; M849-L851 VanDerWaalsContact C-N 3.26Å; M849-L851 PolarHBondContact O-N 2.88Å; L851-D853 PolarHBondContact O-N 3.26Å; L851-I854 HydrophobicContact CD2-CD1 4.21Å; L851-I854 VanDerWaalsContact O-CG1 3.3Å; L851-I854 WeakPolarHBondContact O-CG1 3.15Å; L851-I854 PolarHBondContact O-N 3.37Å; L851-S855 WeakPolarHBondContact O-CB 3.43Å; L851-S855 PolarHBondContact O-N 3.08Å
852A87.6Confident89.7Confident32 Ų3247.6 Ų47.626%0.26429%0.287SS..Hα-helixtrans-63.6-33.1179.800000111.9K567 S848 M849 I854 S855K567-A852 WeakPolarHBondContact CE-O 3.43Å; K567-A852 PolarHBondContact NZ-O 3.46Å; S848-A852 WeakPolarHBondContact O-CB 3.48Å; S848-A852 PolarHBondContact O-N 3.4Å; M849-A852 PolarHBondContact O-N 3.13Å; M849-A852 VanDerWaalsContact O-N 3.17Å; A852-I854 PolarHBondContact O-N 2.97Å; A852-S855 PolarHBondContact O-OG 3.18Å
853D85.9Confident89.4Confident114 Ų11445.2 Ų45.261%0.6127%0.266SS*.THydrogen-bonded Turntrans-67.5-24.3177.9-68.8-20.5000113.2M849 L851M849-D853 PolarHBondContact O-N 2.79Å; L851-D853 PolarHBondContact O-N 3.26Å
854I87.9Confident88.8Confident48 Ų4841.9 Ų41.925%0.24625%0.25CC..THydrogen-bonded Turntrans-114.52.4-176.157.1170.5000113.8R533 L535 A850 L851 A852 P856R533-I854 HydrophobicContact CB-CD1 3.76Å; R533-I854 HydrophobicContact CG-CD1 4.02Å; L535-I854 HydrophobicContact CD1-CB 4.01Å; L535-I854 HydrophobicContact CD1-CG2 3.96Å; A850-I854 WeakPolarHBondContact O-CG1 3.25Å; L851-I854 HydrophobicContact CD2-CD1 4.21Å; L851-I854 VanDerWaalsContact O-CG1 3.3Å; L851-I854 WeakPolarHBondContact O-CG1 3.15Å; L851-I854 PolarHBondContact O-N 3.37Å; A852-I854 PolarHBondContact O-N 2.97Å; I854-P856 WeakPolarHBondContact O-CD 3.48Å
855S88.9Confident88.4Confident28 Ų2843 Ų4320%0.19625%0.253CS..  trans-80.3121.4-175.866.50000111.4K567 L851 A852K567-S855 PolarHBondContact NZ-O 3.42Å; K567-S855 PolarHBondContact NZ-OG 3.18Å; L851-S855 WeakPolarHBondContact O-CB 3.43Å; L851-S855 PolarHBondContact O-N 3.08Å; A852-S855 PolarHBondContact O-OG 3.18Å
856P90.6Very high87.9Confident18 Ų1840.3 Ų40.312%0.11724%0.242CC..  trans-71.1163.8172.232.1-36.8000111.7A565 I854 L858 F860A565-P856 HydrophobicContact CB-CB 4.01Å; I854-P856 WeakPolarHBondContact O-CD 3.48Å; P856-L858 WeakPolarHBondContact CB-O 3.42Å; P856-L858 WeakPolarHBondContact CG-O 3.42Å; P856-F860 HydrophobicContact CB-CE1 4.11Å; P856-F860 HydrophobicContact CB-CE2 4.4Å; P856-F860 HydrophobicContact CB-CZ 3.93Å; P856-F860 HydrophobicContact CG-CD2 4.18Å; P856-F860 HydrophobicContact CG-CE1 4.29Å; P856-F860 HydrophobicContact CG-CE2 3.9Å; P856-F860 HydrophobicContact CG-CG 4.47Å; P856-F860 HydrophobicContact CG-CZ 3.94Å
857L88.3Confident87.2Confident49 Ų4938.8 Ų38.826%0.25723%0.228SC..SBendtrans-65.7-39.2176.6-178.860.7000112.3T564 L592 R595 L596 K599T564-L857 HydrophobicContact CG2-CB 4.04Å; T564-L857 PolarHBondContact OG1-N 3.36Å; T564-L857 VanDerWaalsContact OG1-N 3.1Å; L592-L857 HydrophobicContact CD1-CD2 4.35Å; R595-L857 HydrophobicContact CB-CD2 3.82Å; R595-L857 HydrophobicContact CB-CG 4.21Å; L596-L857 HydrophobicContact CD2-CD2 3.82Å; L596-L857 HydrophobicContact CG-CD2 4.01Å; K599-L857 HydrophobicContact CD-CD1 4.27Å; K599-L857 HydrophobicContact CG-CD1 3.71Å; K599-L857 HydrophobicContact CG-CD2 4.37Å
858L87.9Confident85.8Confident9 Ų937.8 Ų37.85%0.04722%0.223CC..SBendtrans-118.6143.4169.5-66.2174.2000108.9L561 L591 L592 R595 P856 I862L561-L858 HydrophobicContact CD2-CB 3.78Å; L591-L858 HydrophobicContact CD2-CD1 4.44Å; L591-L858 HydrophobicContact CG-CD1 4.3Å; L592-L858 HydrophobicContact CB-CD1 4.23Å; L592-L858 HydrophobicContact CD1-CD1 4.05Å; L592-L858 HydrophobicContact CD1-CG 4.47Å; R595-L858 HydrophobicContact CG-CD1 4.36Å; R595-L858 HydrophobicContact CG-CD2 4Å; R595-L858 HydrophobicContact CG-CG 4.37Å; P856-L858 WeakPolarHBondContact CB-O 3.42Å; P856-L858 WeakPolarHBondContact CG-O 3.42Å; L858-I862 HydrophobicContact CB-CD1 4.29Å; L858-I862 HydrophobicContact CD1-CD1 3.89Å
859P87.2Confident83.4Confident66 Ų6638.6 Ų38.643%0.42923%0.227SC..  trans-65.4140.2-178.429.3-35.5000110.8S861 I862P859-S861 PolarHBondContact O-N 3.15Å; P859-S861 VanDerWaalsContact O-N 3.08Å; P859-I862 VanDerWaalsContact O-CB 3.23Å; P859-I862 WeakPolarHBondContact O-CB 3.44Å; P859-I862 WeakPolarHBondContact O-CG2 3.45Å; P859-I862 PolarHBondContact O-N 3.36Å
860F90.1Very high80.4Confident2 Ų238.9 Ų38.91%0.00924%0.241CC..G310 helixtrans-60.4-22178.4-60.7-59.3000113.7L527 A530 L531 L535 L558 L561 L562 A565 P856 I862 I863L527-F860 HydrophobicContact CD1-CB 4.44Å; A530-F860 VanDerWaalsContact C-CD2 3.45Å; A530-F860 HydrophobicContact CB-CB 4.38Å; A530-F860 HydrophobicContact CB-CD1 3.94Å; A530-F860 HydrophobicContact CB-CD2 3.65Å; A530-F860 HydrophobicContact CB-CE1 4.09Å; A530-F860 HydrophobicContact CB-CE2 3.82Å; A530-F860 HydrophobicContact CB-CG 3.75Å; A530-F860 HydrophobicContact CB-CZ 4.06Å; A530-F860 WeakPolarHBondContact O-CD2 3.07Å; A530-F860 WeakPolarHBondContact O-CE2 3.47Å; L531-F860 HydrophobicContact CD2-CB 3.97Å; L531-F860 HydrophobicContact CG-CB 4.5Å; L535-F860 HydrophobicContact CD2-CE2 4.11Å; L535-F860 HydrophobicContact CD2-CZ 4.07Å; L558-F860 HydrophobicContact CD1-CD1 3.99Å; L558-F860 HydrophobicContact CD1-CE1 4.34Å; L561-F860 HydrophobicContact CB-CD1 3.9Å; L561-F860 HydrophobicContact CB-CE1 3.62Å; L561-F860 HydrophobicContact CD1-CD1 4.11Å; L562-F860 HydrophobicContact CD2-CE1 3.92Å; L562-F860 HydrophobicContact CD2-CZ 3.71Å; L562-F860 HydrophobicContact CG-CE1 4.15Å; L562-F860 HydrophobicContact CG-CZ 4.4Å; A565-F860 HydrophobicContact CB-CZ 4.13Å; P856-F860 HydrophobicContact CB-CE1 4.11Å; P856-F860 HydrophobicContact CB-CE2 4.4Å; P856-F860 HydrophobicContact CB-CZ 3.93Å; P856-F860 HydrophobicContact CG-CD2 4.18Å; P856-F860 HydrophobicContact CG-CE1 4.29Å; P856-F860 HydrophobicContact CG-CE2 3.9Å; P856-F860 HydrophobicContact CG-CG 4.47Å; P856-F860 HydrophobicContact CG-CZ 3.94Å; F860-I862 PolarHBondContact O-N 3.5Å; F860-I862 VanDerWaalsContact O-N 3.13Å; F860-I863 PolarHBondContact O-N 3.27Å; F860-I863 VanDerWaalsContact O-N 3.13Å
861S84.1Confident79.9Confident48 Ų4837.9 Ų37.934%0.33623%0.228SC..G310 helixtrans-63.5-11.8174.154.80000113.9P859 I863P859-S861 PolarHBondContact O-N 3.15Å; P859-S861 VanDerWaalsContact O-N 3.08Å; S861-I863 PolarHBondContact O-N 3.16Å
862I83.2Confident79.4Confident10 Ų1038.6 Ų38.65%0.05123%0.234CC..G310 helixtrans-61.7-25.6171-164.6171000112.5F557 L561 L591 L700 L858 P859 F860 P864F557-I862 HydrophobicContact CE1-CG2 3.73Å; F557-I862 HydrophobicContact CZ-CD1 4.24Å; F557-I862 HydrophobicContact CZ-CG2 3.82Å; L561-I862 HydrophobicContact CD1-CG2 3.88Å; L591-I862 HydrophobicContact CD2-CD1 4.15Å; L700-I862 HydrophobicContact CB-CG1 4.12Å; L700-I862 HydrophobicContact CD1-CD1 3.26Å; L700-I862 HydrophobicContact CD1-CG1 3.49Å; L700-I862 VanDerWaalsContact CD1-CG1 3.49Å; L700-I862 HydrophobicContact CG-CD1 4.49Å; L700-I862 HydrophobicContact CG-CG1 4.27Å; L858-I862 HydrophobicContact CB-CD1 4.29Å; L858-I862 HydrophobicContact CD1-CD1 3.89Å; P859-I862 VanDerWaalsContact O-CB 3.23Å; P859-I862 WeakPolarHBondContact O-CB 3.44Å; P859-I862 WeakPolarHBondContact O-CG2 3.45Å; P859-I862 PolarHBondContact O-N 3.36Å; F860-I862 PolarHBondContact O-N 3.5Å; F860-I862 VanDerWaalsContact O-N 3.13Å; I862-P864 WeakPolarHBondContact O-CD 3.42Å
863I86.5Confident79Confident4 Ų439 Ų392%0.02123%0.232CC..SBendtrans-79.8118178.6-64.4170.1000108.6F523 L527 F557 L558 L561 F860 S861 R865F523-I863 HydrophobicContact CE1-CG2 4.33Å; F523-I863 HydrophobicContact CZ-CG2 3.85Å; L527-I863 HydrophobicContact CD1-CB 4.01Å; L527-I863 HydrophobicContact CD1-CD1 3.84Å; L527-I863 HydrophobicContact CD1-CG1 4.47Å; L527-I863 HydrophobicContact CD1-CG2 4.25Å; L527-I863 HydrophobicContact CD2-CB 4.26Å; L527-I863 HydrophobicContact CD2-CG2 3.81Å; F557-I863 HydrophobicContact CD1-CD1 3.92Å; F557-I863 HydrophobicContact CD1-CG1 3.71Å; F557-I863 HydrophobicContact CE1-CD1 4.11Å; F557-I863 HydrophobicContact CE1-CG1 3.54Å; L558-I863 HydrophobicContact CB-CD1 3.76Å; L558-I863 HydrophobicContact CD1-CD1 3.72Å; L558-I863 HydrophobicContact CG-CD1 4.25Å; L561-I863 HydrophobicContact CD1-CD1 4.13Å; L561-I863 HydrophobicContact CD1-CG1 4.48Å; F860-I863 PolarHBondContact O-N 3.27Å; F860-I863 VanDerWaalsContact O-N 3.13Å; S861-I863 PolarHBondContact O-N 3.16Å; I863-R865 PolarHBondContact O-N 3.47Å
864P81.2Confident78.6Confident34 Ų3434.6 Ų34.622%0.22121%0.21CC..  trans-71.8132-179.727.3-29.8000110.4I862 V866I862-P864 WeakPolarHBondContact O-CD 3.42Å; P864-V866 HydrophobicContact CB-CG2 4.03Å; P864-V866 HydrophobicContact CG-CG2 4.19Å; P864-V866 PolarHBondContact O-N 3.15Å
865R85.3Confident78Confident33 Ų3333.8 Ų33.813%0.12521%0.208CC..  trans-82.767.1176.1-71.1170-65.1-132.7-11.5110.6L482 S485 R486 D489 L527 I863L482-R865 HydrophobicContact CD2-CB 3.75Å; L482-R865 HydrophobicContact CD2-CG 4.24Å; S485-R865 WeakPolarHBondContact OG-CD 3.31Å; S485-R865 PolarHBondContact OG-NH1 2.8Å; R486-R865 HydrophobicContact CG-CB 4.47Å; R486-R865 PolarHBondContact NE-O 3.02Å; R486-R865 VanDerWaalsContact NE-O 3.08Å; R486-R865 PolarHBondContact NH2-O 3.28Å; D489-R865 IonicContact OD2-CZ 2.71Å; D489-R865 IonicContact OD2-NH1 2.7Å; D489-R865 PolarHBondContact OD2-NH1 3.09Å; D489-R865 IonicContact OD2-NH2 2.88Å; D489-R865 PolarHBondContact OD2-NH2 2.84Å; L527-R865 HydrophobicContact CD2-CG 4Å; I863-R865 PolarHBondContact O-N 3.47Å
866V82.9Confident77.3Confident15 Ų1534.1 Ų34.19%0.09121%0.209CC..  trans-123.6139.9-178.6-69.60000110.5E448 Y524 P864 S868 L869E448-V866 HydrophobicContact CG-CB 4.44Å; E448-V866 HydrophobicContact CG-CG1 4.25Å; Y524-V866 PolarHBondContact OH-N 3.45Å; Y524-V866 PolarHBondContact OH-O 3.43Å; P864-V866 HydrophobicContact CB-CG2 4.03Å; P864-V866 HydrophobicContact CG-CG2 4.19Å; P864-V866 PolarHBondContact O-N 3.15Å; V866-S868 PolarHBondContact O-N 3.44Å; V866-L869 HydrophobicContact CG2-CD2 4.09Å
867M78.8Confident76.3Confident34 Ų3435.3 Ų35.317%0.16722%0.215CC..SBendtrans-72.4-23.3177.7-159.2-180-166.600111.8R444 E448 R475 L479 L520 L869R444-M867 HydrophobicContact CG-CB 4.28Å; E448-M867 WeakPolarHBondContact OE1-CA 3.3Å; E448-M867 WeakPolarHBondContact OE1-CB 3.33Å; E448-M867 PolarHBondContact OE1-N 3.09Å; R475-M867 HydrophobicContact CB-CE 4Å; R475-M867 HydrophobicContact CG-CE 4.13Å; L479-M867 HydrophobicContact CD1-SD 4.24Å; L479-M867 HydrophobicContact CD2-CB 4.37Å; L479-M867 HydrophobicContact CD2-SD 3.77Å; L479-M867 HydrophobicContact CG-SD 4.02Å; L520-M867 HydrophobicContact CD2-CE 4.46Å; L520-M867 HydrophobicContact CD2-CG 3.99Å; M867-L869 VanDerWaalsContact C-N 3.34Å; M867-L869 PolarHBondContact O-N 3.42Å
868S62.8Low75.4Confident30 Ų3034.2 Ų34.221%0.2121%0.212CC..  trans-68.383.3170.970.20000111.9E448 V866E448-S868 PolarHBondContact OE1-N 3.11Å; E448-S868 VanDerWaalsContact OE1-N 3.16Å; V866-S868 PolarHBondContact O-N 3.44Å
869L40.9Very low74.4Confident21 Ų2136.3 Ų36.311%0.1123%0.226CC..  trans-115.3105.4163.7-56.6172.7000105.4L520 F523 N554 V866 M867L520-L869 HydrophobicContact CD1-CD1 4.08Å; F523-L869 HydrophobicContact CD1-CD1 4.44Å; F523-L869 HydrophobicContact CE1-CD1 3.99Å; N554-L869 HydrophobicContact CB-CD1 4.43Å; N554-L869 WeakPolarHBondContact ND2-CD2 3.02Å; V866-L869 HydrophobicContact CG2-CD2 4.09Å; M867-L869 VanDerWaalsContact C-N 3.34Å; M867-L869 PolarHBondContact O-N 3.42Å
870C29.2Very low73.2Confident139 Ų13933.6 Ų33.694%0.93921%0.207SC*.  trans96.40-167.8-56.20000114.9

Retrieved 870 of 870 residues in 302.4 ms (Link to these results)

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