A0A077ZC56_TRITR Loading...

glutathione transferase

AlphaFold DB , UniProt , Accession A0A077ZC56, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 373 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
1M49.8Very low79.8Confident205 Ų20563.4 Ų63.4100%1.0133%0.33SS*.  032.30-63.5-178.9-93.200110.8D3M1-D3 PolarHBondContact O-N 3.34Å
2S57.8Low79.3Confident87 Ų8765.9 Ų65.961%0.60835%0.35SS*.THydrogen-bonded Turntrans-79.4-12.6-172.145.10000115G71S2-G71 WeakPolarHBondContact O-CA 3.41Å
3D71.3Confident78.8Confident97 Ų9769.1 Ų69.152%0.51936%0.358SS..THydrogen-bonded Turntrans-136.915.6-167.6-66-87.5000112.2M1 L5 R88M1-D3 PolarHBondContact O-N 3.34Å; D3-L5 PolarHBondContact O-N 2.95Å; D3-R88 IonicContact OD1-CZ 3.36Å; D3-R88 IonicContact OD1-NH1 2.81Å; D3-R88 IonicContact OD1-NH2 3.5Å; D3-R88 PolarHBondContact OD1-NH2 2.78Å
4Q87.5Confident78.5Confident110 Ų11065.5 Ų65.551%0.51435%0.347SS..  trans-79.8119.2175.4-177.8170.1-5.600109
5L94.6Very high78.8Confident1 Ų165.7 Ų65.71%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-74144.1170.3-64.5-171.3000110.8D3 L23 I28 F30 D31 L68 Y69 D70 L85 Y89D3-L5 PolarHBondContact O-N 2.95Å; L5-L23 HydrophobicContact CD1-CD2 3.52Å; L5-I28 HydrophobicContact CD1-CG2 3.73Å; L5-F30 HydrophobicContact CB-CB 3.64Å; L5-F30 CarbonylContact O-C 3.55Å; L5-F30 VanDerWaalsContact O-CA 3.32Å; L5-F30 WeakPolarHBondContact O-CA 3.28Å; L5-D31 PolarHBondContact O-N 2.94Å; L5-L68 HydrophobicContact CB-CD1 4.31Å; L5-L68 HydrophobicContact CD1-CD1 4.43Å; L5-L68 HydrophobicContact CD2-CD1 4.38Å; L5-L68 HydrophobicContact CD2-CD2 4.36Å; L5-Y69 VanDerWaalsContact CA-O 3.3Å; L5-Y69 WeakPolarHBondContact CA-O 3.22Å; L5-D70 HydrophobicContact CD2-CB 3.83Å; L5-D70 WeakPolarHBondContact CD2-OD1 3.27Å; L5-L85 HydrophobicContact CD1-CD2 4.16Å; L5-Y89 HydrophobicContact CD1-CE2 4.08Å
6K93.4Very high79.2Confident39 Ų3961.9 Ų61.917%0.1733%0.33CS..EExtended strand (participates in β ladder)trans-134.3133.9163.9174.5179.2-176.7122.40109.4V8 D31 H33 L68 Y69K6-V8 HydrophobicContact CD-CG2 4.06Å; K6-V8 VanDerWaalsContact CE-CG2 3.43Å; K6-V8 HydrophobicContact CG-CG2 4.05Å; K6-D31 CarbonylContact C-O 3.57Å; K6-D31 WeakPolarHBondContact CA-O 3.33Å; K6-D31 HydrophobicContact CB-CB 3.89Å; K6-D31 HydrophobicContact CD-CB 4.48Å; K6-D31 WeakPolarHBondContact CD-OD2 3.36Å; K6-D31 VanDerWaalsContact CE-OD2 3.24Å; K6-D31 WeakPolarHBondContact CE-OD2 3.48Å; K6-D31 HydrophobicContact CG-CB 3.86Å; K6-D31 WeakPolarHBondContact CG-OD2 3.49Å; K6-D31 IonicContact NZ-OD2 2.92Å; K6-D31 PolarHBondContact NZ-OD2 2.79Å; K6-H33 PolarHBondContact NZ-ND1 2.94Å; K6-L68 CarbonylContact O-C 3.59Å; K6-L68 WeakPolarHBondContact O-CA 3.18Å; K6-Y69 HydrophobicContact CB-CD2 4.15Å; K6-Y69 HydrophobicContact CD-CD2 4.33Å; K6-Y69 HydrophobicContact CG-CD2 4.2Å; K6-Y69 PolarHBondContact N-O 3.39Å; K6-Y69 PolarHBondContact O-N 3.41Å
7L91.9Very high79.6Confident0 Ų059.9 Ų59.90%032%0.318CS..EExtended strand (participates in β ladder)trans-112.3129.3175.4-173.464.6000110.1Y9 I19 R20 F30 D31 H33 P66 L68L7-Y9 HydrophobicContact CB-CD1 4.43Å; L7-Y9 HydrophobicContact CD2-CD1 4.05Å; L7-Y9 HydrophobicContact CD2-CE1 4.27Å; L7-Y9 HydrophobicContact CG-CD1 3.75Å; L7-Y9 HydrophobicContact CG-CE1 4.26Å; L7-I19 HydrophobicContact CD1-CB 4.24Å; L7-I19 HydrophobicContact CD1-CD1 4.17Å; L7-I19 HydrophobicContact CD1-CG2 3.7Å; L7-I19 HydrophobicContact CD2-CB 3.97Å; L7-I19 HydrophobicContact CD2-CG2 3.8Å; L7-I19 HydrophobicContact CG-CG2 4.39Å; L7-R20 HydrophobicContact CD2-CG 3.5Å; L7-F30 HydrophobicContact CB-CD2 3.83Å; L7-F30 HydrophobicContact CB-CE2 3.96Å; L7-F30 HydrophobicContact CD2-CE2 4.14Å; L7-D31 PolarHBondContact N-O 3Å; L7-H33 WeakPolarHBondContact O-CA 3.34Å; L7-H33 WeakPolarHBondContact O-CB 3.32Å; L7-H33 PolarHBondContact O-N 2.87Å; L7-P66 HydrophobicContact CD1-CB 4.35Å; L7-L68 HydrophobicContact CB-CD1 4.42Å; L7-L68 HydrophobicContact CD1-CB 4.3Å; L7-L68 HydrophobicContact CD1-CD1 4.26Å
8V89Confident80.2Confident4 Ų456.9 Ų56.92%0.02430%0.302CS..EExtended strand (participates in β ladder)trans-123.3117.2-177.2175.90000109.4K6 H33 F35 I59 V65 P66 C67 Y69K6-V8 HydrophobicContact CD-CG2 4.06Å; K6-V8 VanDerWaalsContact CE-CG2 3.43Å; K6-V8 HydrophobicContact CG-CG2 4.05Å; V8-H33 WeakPolarHBondContact CA-O 3.24Å; V8-H33 HydrophobicContact CG2-CB 4.21Å; V8-F35 HydrophobicContact CG1-CD1 4.17Å; V8-F35 HydrophobicContact CG1-CE1 3.65Å; V8-I59 HydrophobicContact CG1-CD1 4.24Å; V8-V65 HydrophobicContact CG1-CG1 4.37Å; V8-P66 CarbonylContact O-C 3.6Å; V8-P66 WeakPolarHBondContact O-CA 3.28Å; V8-C67 PolarHBondContact N-O 2.86Å; V8-C67 PolarHBondContact O-N 2.67Å; V8-Y69 HydrophobicContact CB-CE2 4.16Å; V8-Y69 HydrophobicContact CG2-CD2 4.2Å; V8-Y69 HydrophobicContact CG2-CE2 3.66Å
9Y86Confident81Confident2 Ų253.9 Ų53.91%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-162.3160.4-167.864.9-71.9000112.5L7 R20 D32 H33 A34 F35L7-Y9 HydrophobicContact CB-CD1 4.43Å; L7-Y9 HydrophobicContact CD2-CD1 4.05Å; L7-Y9 HydrophobicContact CD2-CE1 4.27Å; L7-Y9 HydrophobicContact CG-CD1 3.75Å; L7-Y9 HydrophobicContact CG-CE1 4.26Å; Y9-R20 HydrophobicContact CE1-CG 4.48Å; Y9-R20 VanDerWaalsContact CZ-CD 3.45Å; Y9-R20 WeakPolarHBondContact OH-CD 3.43Å; Y9-R20 PolarHBondContact OH-NE 2.8Å; Y9-R20 PolarHBondContact OH-NH2 2.8Å; Y9-D32 WeakPolarHBondContact CE1-OD1 3.45Å; Y9-D32 VanDerWaalsContact CZ-OD1 3.27Å; Y9-D32 PolarHBondContact OH-OD1 3.17Å; Y9-H33 PolarHBondContact N-O 2.82Å; Y9-A34 HydrophobicContact CE1-CB 4.21Å; Y9-A34 HydrophobicContact CE2-CB 3.93Å; Y9-A34 CarbonylContact O-C 3.49Å; Y9-A34 WeakPolarHBondContact O-CA 3.38Å; Y9-A34 WeakPolarHBondContact OH-CB 3.34Å; Y9-F35 VanDerWaalsContact C-CE1 3.4Å; Y9-F35 WeakPolarHBondContact O-CD1 3.31Å; Y9-F35 WeakPolarHBondContact O-CE1 3.49Å; Y9-F35 PolarHBondContact O-N 3.28Å
10F78.1Confident81.6Confident47 Ų4753.1 Ų53.121%0.20628%0.279CS..EExtended strand (participates in β ladder)trans-67.8137.2171.7-69.6-69.8000111.9V12 F35 F37 W40 V65F10-V12 HydrophobicContact CB-CG2 4.01Å; F10-V12 PolarHBondContact O-N 3.42Å; F10-F35 CarbonylContact C-O 3.54Å; F10-F35 WeakPolarHBondContact CA-O 3.37Å; F10-F35 HydrophobicContact CD1-CD2 4.01Å; F10-F35 AromaticContact CD1-CE2 3.5Å; F10-F35 HydrophobicContact CD1-CE2 3.5Å; F10-F35 HydrophobicContact CD1-CZ 4.22Å; F10-F35 HydrophobicContact CE1-CD2 4.23Å; F10-F35 AromaticContact CE1-CE2 3.49Å; F10-F35 HydrophobicContact CE1-CE2 3.49Å; F10-F35 VanDerWaalsContact CE1-CE2 3.49Å; F10-F35 HydrophobicContact CE1-CZ 4.31Å; F10-F35 HydrophobicContact CG-CE2 4.17Å; F10-F35 HydrophobicContact CG-CZ 4.47Å; F10-F35 HydrophobicContact CZ-CE2 4.12Å; F10-F37 HydrophobicContact CD1-CB 4.48Å; F10-F37 HydrophobicContact CD1-CD2 4.05Å; F10-F37 HydrophobicContact CE1-CB 4.46Å; F10-F37 AromaticContact CE1-CD2 3.57Å; F10-F37 HydrophobicContact CE1-CD2 3.57Å; F10-F37 HydrophobicContact CE1-CE2 4.22Å; F10-F37 HydrophobicContact CE1-CG 4.34Å; F10-F37 AromaticContact CZ-CD2 3.93Å; F10-F37 HydrophobicContact CZ-CD2 3.93Å; F10-F37 HydrophobicContact CZ-CE2 4.13Å; F10-W40 HydrophobicContact CE1-CB 3.89Å; F10-W40 HydrophobicContact CE1-CD2 4.15Å; F10-W40 HydrophobicContact CE1-CE3 4.27Å; F10-W40 HydrophobicContact CE1-CG 4.04Å; F10-W40 HydrophobicContact CZ-CB 4.18Å; F10-W40 AromaticContact CZ-CD2 3.68Å; F10-W40 HydrophobicContact CZ-CD2 3.68Å; F10-W40 AromaticContact CZ-CE3 3.97Å; F10-W40 HydrophobicContact CZ-CE3 3.97Å; F10-W40 AromaticContact CZ-CG 3.82Å; F10-W40 HydrophobicContact CZ-CG 3.82Å; F10-V65 HydrophobicContact CD2-CG2 3.48Å; F10-V65 VanDerWaalsContact CD2-CG2 3.48Å; F10-V65 HydrophobicContact CE2-CG2 3.46Å; F10-V65 VanDerWaalsContact CE2-CG2 3.46Å; F10-V65 HydrophobicContact CG-CG2 4.31Å; F10-V65 HydrophobicContact CZ-CG2 4.28Å
11D78.8Confident81.9Confident105 Ų10552.1 Ų52.156%0.56128%0.275SS*.SBendtrans-73.266.2178.8-161.324000113.4A34 F35D11-A34 HydrophobicContact CB-CB 3.8Å; D11-F35 PolarHBondContact N-O 3.1Å
12V74.1Confident84.1Confident94 Ų9442.3 Ų42.357%0.5723%0.227SC*.SBendtrans-142.3154.8178.1-63.60000110F10 G14F10-V12 HydrophobicContact CB-CG2 4.01Å; F10-V12 PolarHBondContact O-N 3.42Å; V12-G14 PolarHBondContact O-N 3.06Å
13K72Confident85.9Confident107 Ų10738.2 Ų38.247%0.46520%0.198SC..SBendtrans-72.357171.9-73.7-155.4167.2-157.30112.9E17 E168 Q169K13-E17 WeakPolarHBondContact CE-OE1 3.49Å; K13-E17 HydrophobicContact CG-CG 4.25Å; K13-E168 IonicContact NZ-OE1 2.8Å; K13-E168 PolarHBondContact NZ-OE1 3.48Å; K13-E168 IonicContact NZ-OE2 2.67Å; K13-E168 PolarHBondContact NZ-OE2 2.67Å; K13-Q169 WeakPolarHBondContact O-CG 3.43Å; K13-Q169 PolarHBondContact O-OE1 3.03Å
14G75.5Confident86.9Confident19 Ų1940.3 Ų40.320%0.19620%0.199CC..SBendtrans-113.8-146.4175.900000112.2V12 G16 E17V12-G14 PolarHBondContact O-N 3.06Å; G14-G16 PolarHBondContact O-N 2.83Å; G14-E17 PolarHBondContact O-N 3.18Å
15L83.1Confident87.1Confident68 Ų6839.7 Ų39.736%0.35620%0.199SC..THydrogen-bonded Turntrans-59.1-22.2-173.2-64.1179.8000115.4M18 P66 L112L15-M18 HydrophobicContact CD2-CE 4.29Å; L15-P66 HydrophobicContact CB-CG 4.07Å; L15-L112 HydrophobicContact CD2-CD2 3.56Å
16G84.3Confident87.1Confident6 Ų642.4 Ų42.46%0.06221%0.213CC..THydrogen-bonded Turntrans-73.8-33.4174.500000113.6G14 M18 I19 R20G14-G16 PolarHBondContact O-N 2.83Å; G16-M18 PolarHBondContact O-N 3.43Å; G16-I19 WeakPolarHBondContact O-CB 3.36Å; G16-I19 PolarHBondContact O-N 2.89Å; G16-I19 VanDerWaalsContact O-N 3.13Å; G16-R20 PolarHBondContact O-N 2.83Å; G16-R20 VanDerWaalsContact O-N 3.1Å
17E86.1Confident87.2Confident27 Ų2749.1 Ų49.113%0.12625%0.245CC..Hα-helixtrans-66.9-40.2-170.2-170.974.3155.600111.9K13 G14 I19 R20 V21K13-E17 WeakPolarHBondContact CE-OE1 3.49Å; K13-E17 HydrophobicContact CG-CG 4.25Å; G14-E17 PolarHBondContact O-N 3.18Å; E17-I19 PolarHBondContact O-N 2.87Å; E17-R20 WeakPolarHBondContact O-CB 3.32Å; E17-R20 PolarHBondContact O-N 3.24Å; E17-R20 VanDerWaalsContact O-N 3.1Å; E17-R20 WeakPolarHBondContact OE2-CD 3.44Å; E17-R20 IonicContact OE2-CZ 3.72Å; E17-R20 IonicContact OE2-NE 3.89Å; E17-R20 IonicContact OE2-NH1 2.79Å; E17-R20 PolarHBondContact OE2-NH1 2.67Å; E17-V21 HydrophobicContact CG-CG2 4.27Å; E17-V21 WeakPolarHBondContact O-CG2 3.17Å; E17-V21 PolarHBondContact O-N 3.18Å
18M91.1Very high87.2Confident7 Ų750.2 Ų50.23%0.03425%0.251CS..Hα-helixtrans-62.2-29.817668.2-177.7179.700113.4L15 G16 T22 S78 M82 Y105 C165L15-M18 HydrophobicContact CD2-CE 4.29Å; G16-M18 PolarHBondContact O-N 3.43Å; M18-T22 WeakPolarHBondContact O-CB 3.32Å; M18-T22 PolarHBondContact O-N 3.08Å; M18-T22 VanDerWaalsContact O-N 3.08Å; M18-T22 PolarHBondContact O-OG1 3.47Å; M18-S78 VanDerWaalsContact CE-CB 3.47Å; M18-M82 HydrophobicContact CE-CG 3.98Å; M18-M82 HydrophobicContact CG-CE 4.4Å; M18-M82 HydrophobicContact CG-CG 4.5Å; M18-M82 HydrophobicContact CG-SD 4.05Å; M18-M82 HydrophobicContact SD-CG 4.41Å; M18-Y105 VanDerWaalsContact CE-OH 3.28Å; M18-Y105 WeakPolarHBondContact CE-OH 3.41Å; M18-C165 WeakPolarHBondContact CA-SG 3.13Å; M18-C165 HydrophobicContact CB-CB 3.86Å
19I94.7Very high87.4Confident0 Ų056.8 Ų56.80%029%0.286CS..Hα-helixtrans-73.8-43.2175.6-55.8160.3000109.3L7 G16 E17 T22 L23 P66 I81 M82 L85L7-I19 HydrophobicContact CD1-CB 4.24Å; L7-I19 HydrophobicContact CD1-CD1 4.17Å; L7-I19 HydrophobicContact CD1-CG2 3.7Å; L7-I19 HydrophobicContact CD2-CB 3.97Å; L7-I19 HydrophobicContact CD2-CG2 3.8Å; L7-I19 HydrophobicContact CG-CG2 4.39Å; G16-I19 WeakPolarHBondContact O-CB 3.36Å; G16-I19 PolarHBondContact O-N 2.89Å; G16-I19 VanDerWaalsContact O-N 3.13Å; E17-I19 PolarHBondContact O-N 2.87Å; I19-T22 PolarHBondContact O-N 2.98Å; I19-L23 HydrophobicContact CG2-CD1 4.08Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.38Å; I19-L23 PolarHBondContact O-N 3.46Å; I19-P66 HydrophobicContact CD1-CB 3.58Å; I19-P66 HydrophobicContact CD1-CG 3.46Å; I19-P66 VanDerWaalsContact CD1-CG 3.46Å; I19-I81 HydrophobicContact CD1-CB 4.11Å; I19-I81 HydrophobicContact CD1-CD1 3.86Å; I19-I81 HydrophobicContact CD1-CG2 3.78Å; I19-I81 HydrophobicContact CG1-CG2 4Å; I19-I81 HydrophobicContact CG2-CG2 3.77Å; I19-M82 HydrophobicContact CB-SD 4.42Å; I19-M82 HydrophobicContact CG1-CG 4.26Å; I19-M82 HydrophobicContact CG1-SD 3.77Å; I19-L85 HydrophobicContact CG2-CD1 3.82Å
20R93.4Very high87.8Confident36 Ų3658 Ų5814%0.13629%0.291CS..Hα-helixtrans-61.8-45.9175-64.2172.580.1-16624.9112.6L7 Y9 G16 E17 L23 R24 F30 D32L7-R20 HydrophobicContact CD2-CG 3.5Å; Y9-R20 HydrophobicContact CE1-CG 4.48Å; Y9-R20 VanDerWaalsContact CZ-CD 3.45Å; Y9-R20 WeakPolarHBondContact OH-CD 3.43Å; Y9-R20 PolarHBondContact OH-NE 2.8Å; Y9-R20 PolarHBondContact OH-NH2 2.8Å; G16-R20 PolarHBondContact O-N 2.83Å; G16-R20 VanDerWaalsContact O-N 3.1Å; E17-R20 WeakPolarHBondContact O-CB 3.32Å; E17-R20 PolarHBondContact O-N 3.24Å; E17-R20 VanDerWaalsContact O-N 3.1Å; E17-R20 WeakPolarHBondContact OE2-CD 3.44Å; E17-R20 IonicContact OE2-CZ 3.72Å; E17-R20 IonicContact OE2-NE 3.89Å; E17-R20 IonicContact OE2-NH1 2.79Å; E17-R20 PolarHBondContact OE2-NH1 2.67Å; R20-L23 PolarHBondContact O-N 3.16Å; R20-R24 VanDerWaalsContact O-CB 3.31Å; R20-R24 WeakPolarHBondContact O-CB 3.25Å; R20-R24 VanDerWaalsContact O-CG 3.28Å; R20-R24 WeakPolarHBondContact O-CG 3.5Å; R20-R24 PolarHBondContact O-N 2.63Å; R20-F30 HydrophobicContact CB-CZ 4.37Å; R20-F30 HydrophobicContact CG-CE2 4.42Å; R20-F30 HydrophobicContact CG-CZ 4.26Å; R20-D32 IonicContact CZ-OD1 3.85Å; R20-D32 IonicContact CZ-OD2 3.51Å; R20-D32 IonicContact NE-OD1 3.18Å; R20-D32 PolarHBondContact NE-OD1 3.44Å; R20-D32 IonicContact NE-OD2 3.17Å; R20-D32 PolarHBondContact NE-OD2 2.73Å; R20-D32 VanDerWaalsContact NE-OD2 3.17Å; R20-D32 IonicContact NH2-OD1 3.67Å; R20-D32 IonicContact NH2-OD2 2.94Å; R20-D32 PolarHBondContact NH2-OD2 3.41Å
21V88.5Confident88.6Confident33 Ų3358.6 Ų58.620%0.230%0.297CS..Hα-helixtrans-62.7-45.1179174.80000109.8E17 L23 R24 D25 Y161 F164E17-V21 HydrophobicContact CG-CG2 4.27Å; E17-V21 WeakPolarHBondContact O-CG2 3.17Å; E17-V21 PolarHBondContact O-N 3.18Å; V21-L23 PolarHBondContact O-N 2.8Å; V21-R24 PolarHBondContact O-N 2.62Å; V21-D25 VanDerWaalsContact O-CB 3.27Å; V21-D25 WeakPolarHBondContact O-CB 3.33Å; V21-D25 PolarHBondContact O-N 3.42Å; V21-Y161 HydrophobicContact CG1-CD1 3.98Å; V21-Y161 HydrophobicContact CG1-CE1 4.49Å; V21-F164 HydrophobicContact CG1-CD1 4.27Å; V21-F164 HydrophobicContact CG1-CE1 4.39Å
22T95.2Very high89.1Confident0 Ų055.9 Ų55.90%028%0.282CS..Hα-helixtrans-55.4-48173.4-57.90000111.9M18 I19 N26 M82 L85 L91 Y161M18-T22 WeakPolarHBondContact O-CB 3.32Å; M18-T22 PolarHBondContact O-N 3.08Å; M18-T22 VanDerWaalsContact O-N 3.08Å; M18-T22 PolarHBondContact O-OG1 3.47Å; I19-T22 PolarHBondContact O-N 2.98Å; T22-N26 WeakPolarHBondContact O-CB 3.49Å; T22-N26 PolarHBondContact O-N 3.23Å; T22-N26 PolarHBondContact O-ND2 2.65Å; T22-M82 WeakPolarHBondContact OG1-CE 3.32Å; T22-L85 HydrophobicContact CG2-CD1 4.28Å; T22-L91 HydrophobicContact CG2-CD1 3.53Å; T22-Y161 HydrophobicContact CG2-CD2 3.85Å; T22-Y161 HydrophobicContact CG2-CE2 4.07Å; T22-Y161 HydrophobicContact CG2-CG 4.46Å; T22-Y161 VanDerWaalsContact OG1-CB 3.24Å; T22-Y161 WeakPolarHBondContact OG1-CB 3.45Å; T22-Y161 WeakPolarHBondContact OG1-CD2 3.32Å
23L94.8Very high89.8Confident0 Ų054.6 Ų54.60%027%0.27CS..Hα-helixtrans-67.7-45-179.3-69.6170.4000112.4L5 I19 R20 V21 Q27 I28 F30 L68 L85L5-L23 HydrophobicContact CD1-CD2 3.52Å; I19-L23 HydrophobicContact CG2-CD1 4.08Å; I19-L23 VanDerWaalsContact O-CG 3.27Å; I19-L23 WeakPolarHBondContact O-CG 3.38Å; I19-L23 PolarHBondContact O-N 3.46Å; R20-L23 PolarHBondContact O-N 3.16Å; V21-L23 PolarHBondContact O-N 2.8Å; L23-Q27 PolarHBondContact O-N 2.96Å; L23-I28 HydrophobicContact CB-CB 4.5Å; L23-I28 HydrophobicContact CD2-CB 3.9Å; L23-I28 HydrophobicContact CD2-CD1 3.97Å; L23-I28 HydrophobicContact CD2-CG2 3.74Å; L23-I28 PolarHBondContact O-N 3.39Å; L23-F30 HydrophobicContact CB-CD1 3.72Å; L23-F30 HydrophobicContact CB-CE1 3.56Å; L23-F30 HydrophobicContact CB-CZ 4.24Å; L23-F30 HydrophobicContact CD1-CB 4.29Å; L23-F30 HydrophobicContact CD1-CD1 3.8Å; L23-F30 HydrophobicContact CD1-CD2 3.92Å; L23-F30 HydrophobicContact CD1-CE1 4.01Å; L23-F30 HydrophobicContact CD1-CE2 4.1Å; L23-F30 HydrophobicContact CD1-CG 3.76Å; L23-F30 HydrophobicContact CD1-CZ 4.16Å; L23-F30 HydrophobicContact CG-CD1 4.31Å; L23-F30 HydrophobicContact CG-CE1 4.42Å; L23-L68 HydrophobicContact CD1-CD1 4.43Å; L23-L85 HydrophobicContact CD2-CD1 3.9Å; L23-L85 HydrophobicContact CD2-CD2 3.82Å; L23-L85 HydrophobicContact CG-CD1 4.04Å
24R92.5Very high90.2Very high142 Ų14251.2 Ų51.254%0.53626%0.262SS..Hα-helixtrans-70.1-43.2-176.4-72.1178.3175.4-161.2-0112.9R20 V21 N26 Q27 F30 D32R20-R24 VanDerWaalsContact O-CB 3.31Å; R20-R24 WeakPolarHBondContact O-CB 3.25Å; R20-R24 VanDerWaalsContact O-CG 3.28Å; R20-R24 WeakPolarHBondContact O-CG 3.5Å; R20-R24 PolarHBondContact O-N 2.63Å; V21-R24 PolarHBondContact O-N 2.62Å; R24-N26 VanDerWaalsContact C-N 3.33Å; R24-N26 PolarHBondContact O-N 3.1Å; R24-Q27 PolarHBondContact O-N 2.84Å; R24-F30 HydrophobicContact CG-CE1 3.98Å; R24-F30 HydrophobicContact CG-CZ 4.36Å; R24-D32 IonicContact CZ-OD2 3.6Å; R24-D32 IonicContact NE-OD2 3.82Å; R24-D32 IonicContact NH2-OD2 2.67Å; R24-D32 PolarHBondContact NH2-OD2 3.08Å
25D92.1Very high90.3Very high97 Ų9750.6 Ų50.652%0.51925%0.254SS..Hα-helixtrans-65.6-37.8-179.8-169.556.3000111.6V21 Q27 Y161V21-D25 VanDerWaalsContact O-CB 3.27Å; V21-D25 WeakPolarHBondContact O-CB 3.33Å; V21-D25 PolarHBondContact O-N 3.42Å; D25-Q27 PolarHBondContact O-N 2.83Å; D25-Y161 HydrophobicContact CB-CE1 3.83Å; D25-Y161 WeakPolarHBondContact OD2-CE1 3.39Å; D25-Y161 PolarHBondContact OD2-OH 3.06Å
26N94.7Very high89.8Confident58 Ų5849.2 Ų49.231%0.3125%0.252SS..THydrogen-bonded Turntrans-81.56.3173.3-67.1-78.1000114.1T22 R24 I28 L91 Y161T22-N26 WeakPolarHBondContact O-CB 3.49Å; T22-N26 PolarHBondContact O-N 3.23Å; T22-N26 PolarHBondContact O-ND2 2.65Å; R24-N26 VanDerWaalsContact C-N 3.33Å; R24-N26 PolarHBondContact O-N 3.1Å; N26-I28 HydrophobicContact CB-CD1 3.77Å; N26-I28 HydrophobicContact CB-CG1 3.92Å; N26-I28 PolarHBondContact O-N 3.37Å; N26-L91 WeakPolarHBondContact OD1-CD2 3.16Å; N26-Y161 PolarHBondContact ND2-OH 2.87Å
27Q94.4Very high89Confident179 Ų17954.4 Ų54.484%0.83627%0.273SS*.THydrogen-bonded Turntrans57.328.3178.1-55.6172.135.200113.8L23 R24 D25L23-Q27 PolarHBondContact O-N 2.96Å; R24-Q27 PolarHBondContact O-N 2.84Å; D25-Q27 PolarHBondContact O-N 2.83Å
28I93.7Very high88.2Confident23 Ų2360.5 Ų60.512%0.11830%0.301CS..  trans-79.9124.4178.8-57.3164.6000108.4L5 L23 N26 F30 Y89L5-I28 HydrophobicContact CD1-CG2 3.73Å; L23-I28 HydrophobicContact CB-CB 4.5Å; L23-I28 HydrophobicContact CD2-CB 3.9Å; L23-I28 HydrophobicContact CD2-CD1 3.97Å; L23-I28 HydrophobicContact CD2-CG2 3.74Å; L23-I28 PolarHBondContact O-N 3.39Å; N26-I28 HydrophobicContact CB-CD1 3.77Å; N26-I28 HydrophobicContact CB-CG1 3.92Å; N26-I28 PolarHBondContact O-N 3.37Å; I28-F30 WeakPolarHBondContact O-CD1 3.23Å; I28-Y89 HydrophobicContact CD1-CD1 3.65Å; I28-Y89 HydrophobicContact CD1-CD2 3.71Å; I28-Y89 HydrophobicContact CD1-CE1 4.04Å; I28-Y89 HydrophobicContact CD1-CE2 4.1Å; I28-Y89 HydrophobicContact CD1-CG 3.48Å; I28-Y89 VanDerWaalsContact CD1-CG 3.48Å; I28-Y89 HydrophobicContact CG1-CD1 4.02Å; I28-Y89 HydrophobicContact CG1-CE1 4.12Å; I28-Y89 HydrophobicContact CG1-CG 4.36Å; I28-Y89 HydrophobicContact CG2-CE1 3.98Å; I28-Y89 HydrophobicContact CG2-CE2 4.32Å
29N92.8Very high87.1Confident143 Ų14365.7 Ų65.777%0.76533%0.325SS*.  trans-78.3131.8-179.7-171.234.4000111.7
30F94.5Very high85.6Confident27 Ų2768.3 Ų68.312%0.11834%0.336CS..EExtended strand (participates in β ladder)trans-150155.6179.170.2-75.9000112.2L5 L7 R20 L23 R24 I28 D32L5-F30 HydrophobicContact CB-CB 3.64Å; L5-F30 CarbonylContact O-C 3.55Å; L5-F30 VanDerWaalsContact O-CA 3.32Å; L5-F30 WeakPolarHBondContact O-CA 3.28Å; L7-F30 HydrophobicContact CB-CD2 3.83Å; L7-F30 HydrophobicContact CB-CE2 3.96Å; L7-F30 HydrophobicContact CD2-CE2 4.14Å; R20-F30 HydrophobicContact CB-CZ 4.37Å; R20-F30 HydrophobicContact CG-CE2 4.42Å; R20-F30 HydrophobicContact CG-CZ 4.26Å; L23-F30 HydrophobicContact CB-CD1 3.72Å; L23-F30 HydrophobicContact CB-CE1 3.56Å; L23-F30 HydrophobicContact CB-CZ 4.24Å; L23-F30 HydrophobicContact CD1-CB 4.29Å; L23-F30 HydrophobicContact CD1-CD1 3.8Å; L23-F30 HydrophobicContact CD1-CD2 3.92Å; L23-F30 HydrophobicContact CD1-CE1 4.01Å; L23-F30 HydrophobicContact CD1-CE2 4.1Å; L23-F30 HydrophobicContact CD1-CG 3.76Å; L23-F30 HydrophobicContact CD1-CZ 4.16Å; L23-F30 HydrophobicContact CG-CD1 4.31Å; L23-F30 HydrophobicContact CG-CE1 4.42Å; R24-F30 HydrophobicContact CG-CE1 3.98Å; R24-F30 HydrophobicContact CG-CZ 4.36Å; I28-F30 WeakPolarHBondContact O-CD1 3.23Å; F30-D32 HydrophobicContact CD2-CB 3.99Å; F30-D32 HydrophobicContact CE2-CB 3.47Å; F30-D32 VanDerWaalsContact CE2-CB 3.47Å; F30-D32 HydrophobicContact CZ-CB 3.98Å; F30-D32 PolarHBondContact O-N 3.01Å
31D93.3Very high83.8Confident60 Ų6068.3 Ų68.332%0.32134%0.34SS..EExtended strand (participates in β ladder)trans-76.7109.1166.3177.430.1000109.2L5 K6 L7 H33L5-D31 PolarHBondContact O-N 2.94Å; K6-D31 CarbonylContact C-O 3.57Å; K6-D31 WeakPolarHBondContact CA-O 3.33Å; K6-D31 HydrophobicContact CB-CB 3.89Å; K6-D31 HydrophobicContact CD-CB 4.48Å; K6-D31 WeakPolarHBondContact CD-OD2 3.36Å; K6-D31 VanDerWaalsContact CE-OD2 3.24Å; K6-D31 WeakPolarHBondContact CE-OD2 3.48Å; K6-D31 HydrophobicContact CG-CB 3.86Å; K6-D31 WeakPolarHBondContact CG-OD2 3.49Å; K6-D31 IonicContact NZ-OD2 2.92Å; K6-D31 PolarHBondContact NZ-OD2 2.79Å; L7-D31 PolarHBondContact N-O 3Å; D31-H33 PolarHBondContact O-N 3.18Å
32D90.5Very high82.1Confident47 Ų4772.1 Ų72.125%0.25136%0.355SS..EExtended strand (participates in β ladder)trans-92.687.1-172.9-169.88.3000110.7Y9 R20 R24 F30Y9-D32 WeakPolarHBondContact CE1-OD1 3.45Å; Y9-D32 VanDerWaalsContact CZ-OD1 3.27Å; Y9-D32 PolarHBondContact OH-OD1 3.17Å; R20-D32 IonicContact CZ-OD1 3.85Å; R20-D32 IonicContact CZ-OD2 3.51Å; R20-D32 IonicContact NE-OD1 3.18Å; R20-D32 PolarHBondContact NE-OD1 3.44Å; R20-D32 IonicContact NE-OD2 3.17Å; R20-D32 PolarHBondContact NE-OD2 2.73Å; R20-D32 VanDerWaalsContact NE-OD2 3.17Å; R20-D32 IonicContact NH2-OD1 3.67Å; R20-D32 IonicContact NH2-OD2 2.94Å; R20-D32 PolarHBondContact NH2-OD2 3.41Å; R24-D32 IonicContact CZ-OD2 3.6Å; R24-D32 IonicContact NE-OD2 3.82Å; R24-D32 IonicContact NH2-OD2 2.67Å; R24-D32 PolarHBondContact NH2-OD2 3.08Å; F30-D32 HydrophobicContact CD2-CB 3.99Å; F30-D32 HydrophobicContact CE2-CB 3.47Å; F30-D32 VanDerWaalsContact CE2-CB 3.47Å; F30-D32 HydrophobicContact CZ-CB 3.98Å; F30-D32 PolarHBondContact O-N 3.01Å
33H88.5Confident79.5Confident67 Ų6779.3 Ų79.331%0.3140%0.4SS..EExtended strand (participates in β ladder)trans-104.581.2-168.8-162.294.5000111.9K6 L7 V8 Y9 D31K6-H33 PolarHBondContact NZ-ND1 2.94Å; L7-H33 WeakPolarHBondContact O-CA 3.34Å; L7-H33 WeakPolarHBondContact O-CB 3.32Å; L7-H33 PolarHBondContact O-N 2.87Å; V8-H33 WeakPolarHBondContact CA-O 3.24Å; V8-H33 HydrophobicContact CG2-CB 4.21Å; Y9-H33 PolarHBondContact N-O 2.82Å; D31-H33 PolarHBondContact O-N 3.18Å
34A81Confident76.8Confident36 Ų3683.5 Ų83.530%0.29843%0.425SS..EExtended strand (participates in β ladder)trans-72.4152168.700000111.2Y9 D11Y9-A34 HydrophobicContact CE1-CB 4.21Å; Y9-A34 HydrophobicContact CE2-CB 3.93Å; Y9-A34 CarbonylContact O-C 3.49Å; Y9-A34 WeakPolarHBondContact O-CA 3.38Å; Y9-A34 WeakPolarHBondContact OH-CB 3.34Å; D11-A34 HydrophobicContact CB-CB 3.8Å
35F77.7Confident74.3Confident7 Ų783.2 Ų83.23%0.03144%0.442CS..EExtended strand (participates in β ladder)trans-145.5155.416960.5-90.6000111.2V8 Y9 F10 D11 E39 W40 W54 V65V8-F35 HydrophobicContact CG1-CD1 4.17Å; V8-F35 HydrophobicContact CG1-CE1 3.65Å; Y9-F35 VanDerWaalsContact C-CE1 3.4Å; Y9-F35 WeakPolarHBondContact O-CD1 3.31Å; Y9-F35 WeakPolarHBondContact O-CE1 3.49Å; Y9-F35 PolarHBondContact O-N 3.28Å; F10-F35 CarbonylContact C-O 3.54Å; F10-F35 WeakPolarHBondContact CA-O 3.37Å; F10-F35 HydrophobicContact CD1-CD2 4.01Å; F10-F35 AromaticContact CD1-CE2 3.5Å; F10-F35 HydrophobicContact CD1-CE2 3.5Å; F10-F35 HydrophobicContact CD1-CZ 4.22Å; F10-F35 HydrophobicContact CE1-CD2 4.23Å; F10-F35 AromaticContact CE1-CE2 3.49Å; F10-F35 HydrophobicContact CE1-CE2 3.49Å; F10-F35 VanDerWaalsContact CE1-CE2 3.49Å; F10-F35 HydrophobicContact CE1-CZ 4.31Å; F10-F35 HydrophobicContact CG-CE2 4.17Å; F10-F35 HydrophobicContact CG-CZ 4.47Å; F10-F35 HydrophobicContact CZ-CE2 4.12Å; D11-F35 PolarHBondContact N-O 3.1Å; F35-E39 WeakPolarHBondContact CA-OE2 3.4Å; F35-E39 WeakPolarHBondContact CB-OE2 3.27Å; F35-W40 HydrophobicContact CE2-CD2 4.43Å; F35-W40 AromaticContact CE2-CE3 3.47Å; F35-W40 HydrophobicContact CE2-CE3 3.47Å; F35-W40 VanDerWaalsContact CE2-CE3 3.47Å; F35-W40 AromaticContact CE2-CZ3 3.97Å; F35-W40 HydrophobicContact CE2-CZ3 3.97Å; F35-W40 AromaticContact CZ-CE3 3.71Å; F35-W40 HydrophobicContact CZ-CE3 3.71Å; F35-W40 AromaticContact CZ-CZ3 3.68Å; F35-W40 HydrophobicContact CZ-CZ3 3.68Å; F35-W54 HydrophobicContact CB-CH2 4.5Å; F35-W54 AromaticContact CD1-CH2 3.81Å; F35-W54 HydrophobicContact CD1-CH2 3.81Å; F35-W54 AromaticContact CD2-CH2 3.94Å; F35-W54 HydrophobicContact CD2-CH2 3.94Å; F35-W54 AromaticContact CE1-CH2 3.9Å; F35-W54 HydrophobicContact CE1-CH2 3.9Å; F35-W54 HydrophobicContact CE1-CZ3 4.17Å; F35-W54 HydrophobicContact CE2-CH2 4.05Å; F35-W54 HydrophobicContact CE2-CZ3 4.33Å; F35-W54 AromaticContact CG-CH2 3.83Å; F35-W54 HydrophobicContact CG-CH2 3.83Å; F35-W54 HydrophobicContact CZ-CH2 4.01Å; F35-W54 HydrophobicContact CZ-CZ3 4.06Å; F35-V65 HydrophobicContact CE1-CG1 4.17Å; F35-V65 HydrophobicContact CZ-CB 4.37Å; F35-V65 HydrophobicContact CZ-CG1 3.94Å; F35-V65 HydrophobicContact CZ-CG2 3.82Å
36A72.1Confident71.9Confident38 Ų3887.9 Ų87.931%0.31446%0.458SS..  trans-78.5161.2-177.900000112.1E38 E39A36-E38 VanDerWaalsContact C-N 3.27Å; A36-E38 PolarHBondContact O-N 3.23Å; A36-E39 HydrophobicContact CB-CG 4.13Å; A36-E39 PolarHBondContact N-OE2 2.96Å; A36-E39 PolarHBondContact O-N 3.41Å
37F67Low69.6Low115 Ų11588.8 Ų88.850%0.50446%0.463SS..G310 helixtrans-67.8-32.9-178.8-170.7-96.9000111.9F10 E39 W40 H42F10-F37 HydrophobicContact CD1-CB 4.48Å; F10-F37 HydrophobicContact CD1-CD2 4.05Å; F10-F37 HydrophobicContact CE1-CB 4.46Å; F10-F37 AromaticContact CE1-CD2 3.57Å; F10-F37 HydrophobicContact CE1-CD2 3.57Å; F10-F37 HydrophobicContact CE1-CE2 4.22Å; F10-F37 HydrophobicContact CE1-CG 4.34Å; F10-F37 AromaticContact CZ-CD2 3.93Å; F10-F37 HydrophobicContact CZ-CD2 3.93Å; F10-F37 HydrophobicContact CZ-CE2 4.13Å; F37-E39 PolarHBondContact O-N 2.93Å; F37-W40 VanDerWaalsContact O-CB 3.23Å; F37-W40 WeakPolarHBondContact O-CB 3.36Å; F37-W40 PolarHBondContact O-N 3.41Å; F37-W40 VanDerWaalsContact O-N 3.15Å; F37-H42 AromaticContact CE1-CE1 3.73Å; F37-H42 AromaticContact CE1-NE2 3.89Å
38E69.5Low67.2Low155 Ų15582.9 Ų82.972%0.72445%0.445SS*.G310 helixtrans-67.5-19.9177.3-60.671.9-160.900113A36 W40A36-E38 VanDerWaalsContact C-N 3.27Å; A36-E38 PolarHBondContact O-N 3.23Å; E38-W40 VanDerWaalsContact C-N 3.33Å
39E68.1Low65Low116 Ų11687 Ų8754%0.54247%0.471SS..G310 helixtrans-84.5-10.2176.5-62.5178.4133.600112.2F35 A36 F37F35-E39 WeakPolarHBondContact CA-OE2 3.4Å; F35-E39 WeakPolarHBondContact CB-OE2 3.27Å; A36-E39 HydrophobicContact CB-CG 4.13Å; A36-E39 PolarHBondContact N-OE2 2.96Å; A36-E39 PolarHBondContact O-N 3.41Å; F37-E39 PolarHBondContact O-N 2.93Å
40W64.1Low62.8Low56 Ų5683.8 Ų83.821%0.21245%0.453CS..SBendtrans-73.5138.4177.8-168.6-112.4000111.6F10 F35 F37 E38 H42 W54 I59 V65F10-W40 HydrophobicContact CE1-CB 3.89Å; F10-W40 HydrophobicContact CE1-CD2 4.15Å; F10-W40 HydrophobicContact CE1-CE3 4.27Å; F10-W40 HydrophobicContact CE1-CG 4.04Å; F10-W40 HydrophobicContact CZ-CB 4.18Å; F10-W40 AromaticContact CZ-CD2 3.68Å; F10-W40 HydrophobicContact CZ-CD2 3.68Å; F10-W40 AromaticContact CZ-CE3 3.97Å; F10-W40 HydrophobicContact CZ-CE3 3.97Å; F10-W40 AromaticContact CZ-CG 3.82Å; F10-W40 HydrophobicContact CZ-CG 3.82Å; F35-W40 HydrophobicContact CE2-CD2 4.43Å; F35-W40 AromaticContact CE2-CE3 3.47Å; F35-W40 HydrophobicContact CE2-CE3 3.47Å; F35-W40 VanDerWaalsContact CE2-CE3 3.47Å; F35-W40 AromaticContact CE2-CZ3 3.97Å; F35-W40 HydrophobicContact CE2-CZ3 3.97Å; F35-W40 AromaticContact CZ-CE3 3.71Å; F35-W40 HydrophobicContact CZ-CE3 3.71Å; F35-W40 AromaticContact CZ-CZ3 3.68Å; F35-W40 HydrophobicContact CZ-CZ3 3.68Å; F37-W40 VanDerWaalsContact O-CB 3.23Å; F37-W40 WeakPolarHBondContact O-CB 3.36Å; F37-W40 PolarHBondContact O-N 3.41Å; F37-W40 VanDerWaalsContact O-N 3.15Å; E38-W40 VanDerWaalsContact C-N 3.33Å; W40-H42 VanDerWaalsContact C-N 3.32Å; W40-H42 PolarHBondContact O-N 3.44Å; W40-W54 HydrophobicContact CE3-CZ3 4.15Å; W40-W54 HydrophobicContact CZ3-CZ3 4Å; W40-I59 HydrophobicContact CH2-CG2 4.36Å; W40-V65 HydrophobicContact CH2-CG1 4.12Å; W40-V65 HydrophobicContact CH2-CG2 4.3Å; W40-V65 HydrophobicContact CZ3-CG1 3.98Å; W40-V65 HydrophobicContact CZ3-CG2 4.23Å
41P55.1Low60.4Low36 Ų3688.3 Ų88.323%0.23447%0.472CS..  trans-71.884.4178.929.3-35.8000111.9T43P41-T43 PolarHBondContact O-N 2.82Å
42H51.9Low58.1Low112 Ų11290.3 Ų90.352%0.51948%0.482SS..  trans-52.1131156.4-69-67.6000109.3F37 W40 T44F37-H42 AromaticContact CE1-CE1 3.73Å; F37-H42 AromaticContact CE1-NE2 3.89Å; W40-H42 VanDerWaalsContact C-N 3.32Å; W40-H42 PolarHBondContact O-N 3.44Å; H42-T44 VanDerWaalsContact C-N 3.29Å; H42-T44 PolarHBondContact O-N 2.59Å; H42-T44 PolarHBondContact O-OG1 3.3Å
43T42.4Very low55.9Low152 Ų15291.2 Ų91.293%0.93349%0.491SS*.SBendtrans-68.781.9-173.550.40000112P41P41-T43 PolarHBondContact O-N 2.82Å
44T36.2Very low54Low87 Ų8790.2 Ų90.253%0.53449%0.485SS..  trans-128.8142.6172.658.20000108.7H42 F46H42-T44 VanDerWaalsContact C-N 3.29Å; H42-T44 PolarHBondContact O-N 2.59Å; H42-T44 PolarHBondContact O-OG1 3.3Å; T44-F46 PolarHBondContact O-N 3.29Å
45P40.7Very low52.5Low137 Ų13792 Ų9289%0.8949%0.489SS*.G310 helixtrans-68-5.1-168-23.635.5000116.3
46F42.2Very low50.9Low195 Ų19596.5 Ų96.586%0.85552%0.52SS*.G310 helixtrans-84.5-24.9-166.4-137.1-100.2000114.2T44 A48T44-F46 PolarHBondContact O-N 3.29Å; F46-A48 VanDerWaalsContact C-N 3.35Å; F46-A48 PolarHBondContact O-N 2.73Å
47N45.8Very low49.7Very low76 Ų7699.1 Ų99.141%0.40653%0.525SS..G310 helixtrans-93.831.5-173.6-83.4-4.1000114.2V49 I50 F51N47-V49 PolarHBondContact O-N 2.87Å; N47-V49 VanDerWaalsContact O-N 3.15Å; N47-I50 HydrophobicContact CB-CB 4.35Å; N47-I50 PolarHBondContact O-N 3.5Å; N47-F51 WeakPolarHBondContact O-CB 3.38Å; N47-F51 PolarHBondContact O-N 3.41Å
48A44.7Very low48.9Very low56 Ų5696.4 Ų96.446%0.46352%0.52SS..Hα-helixtrans-54.8-34.9-177.800000113.9F46 I52F46-A48 VanDerWaalsContact C-N 3.35Å; F46-A48 PolarHBondContact O-N 2.73Å; A48-I52 WeakPolarHBondContact O-CD1 3.36Å; A48-I52 VanDerWaalsContact O-CG1 3.25Å; A48-I52 WeakPolarHBondContact O-CG1 3.17Å; A48-I52 PolarHBondContact O-N 2.71Å
49V46.9Very low48.3Very low110 Ų11089.6 Ų89.667%0.66749%0.488SS*.Hα-helixtrans-70.9-40.7177.4-1790000111.8N47 I52 C53N47-V49 PolarHBondContact O-N 2.87Å; N47-V49 VanDerWaalsContact O-N 3.15Å; V49-I52 PolarHBondContact O-N 3.02Å; V49-C53 PolarHBondContact O-N 2.68Å; V49-C53 PolarHBondContact O-SG 2.92Å
50I46.9Very low47.8Very low74 Ų7491.6 Ų91.638%0.37949%0.491SS..Hα-helixtrans-67.1-40.6175.4-64.1175.3000109.8N47 I52 C53 W54N47-I50 HydrophobicContact CB-CB 4.35Å; N47-I50 PolarHBondContact O-N 3.5Å; I50-I52 VanDerWaalsContact C-N 3.28Å; I50-I52 PolarHBondContact O-N 2.81Å; I50-C53 PolarHBondContact O-N 2.86Å; I50-C53 VanDerWaalsContact O-N 3.16Å; I50-W54 WeakPolarHBondContact O-CB 3.46Å; I50-W54 PolarHBondContact O-N 3.05Å
51F44Very low48Very low122 Ų12289.7 Ų89.754%0.53549%0.487SS..Hα-helixtrans-59.4-37.7173.8-165.4-95.8000112.1N47 L55N47-F51 WeakPolarHBondContact O-CB 3.38Å; N47-F51 PolarHBondContact O-N 3.41Å; F51-L55 HydrophobicContact CD1-CD1 4.36Å; F51-L55 HydrophobicContact CE1-CD1 4.42Å; F51-L55 WeakPolarHBondContact O-CB 3.14Å; F51-L55 PolarHBondContact O-N 2.97Å
52I45.5Very low49.1Very low102 Ų10288.3 Ų88.352%0.52348%0.477SS..Hα-helixtrans-69.8-41.6172.9-72164.3000111.8A48 V49 I50 W54 L55 C56A48-I52 WeakPolarHBondContact O-CD1 3.36Å; A48-I52 VanDerWaalsContact O-CG1 3.25Å; A48-I52 WeakPolarHBondContact O-CG1 3.17Å; A48-I52 PolarHBondContact O-N 2.71Å; V49-I52 PolarHBondContact O-N 3.02Å; I50-I52 VanDerWaalsContact C-N 3.28Å; I50-I52 PolarHBondContact O-N 2.81Å; I52-W54 VanDerWaalsContact C-N 3.33Å; I52-W54 PolarHBondContact O-N 3.17Å; I52-L55 WeakPolarHBondContact O-CB 3.49Å; I52-L55 PolarHBondContact O-N 3.46Å; I52-C56 PolarHBondContact O-N 2.78Å
53C44.7Very low50.3Low66 Ų6685.3 Ų85.345%0.44648%0.476SS..Hα-helixtrans-65.3-34.6174.8-70.20000112.8V49 I50 C56 F57V49-C53 PolarHBondContact O-N 2.68Å; V49-C53 PolarHBondContact O-SG 2.92Å; I50-C53 PolarHBondContact O-N 2.86Å; I50-C53 VanDerWaalsContact O-N 3.16Å; C53-C56 WeakPolarHBondContact O-CB 3.36Å; C53-C56 PolarHBondContact O-N 3.5Å; C53-F57 WeakPolarHBondContact O-CD2 3.24Å
54W47.8Very low52Low47 Ų4780.6 Ų80.618%0.17844%0.444CS..Hα-helixtrans-81.7-20.6177-79.658.9000113.3F35 W40 I50 I52 C56 F57 C58 I59F35-W54 HydrophobicContact CB-CH2 4.5Å; F35-W54 AromaticContact CD1-CH2 3.81Å; F35-W54 HydrophobicContact CD1-CH2 3.81Å; F35-W54 AromaticContact CD2-CH2 3.94Å; F35-W54 HydrophobicContact CD2-CH2 3.94Å; F35-W54 AromaticContact CE1-CH2 3.9Å; F35-W54 HydrophobicContact CE1-CH2 3.9Å; F35-W54 HydrophobicContact CE1-CZ3 4.17Å; F35-W54 HydrophobicContact CE2-CH2 4.05Å; F35-W54 HydrophobicContact CE2-CZ3 4.33Å; F35-W54 AromaticContact CG-CH2 3.83Å; F35-W54 HydrophobicContact CG-CH2 3.83Å; F35-W54 HydrophobicContact CZ-CH2 4.01Å; F35-W54 HydrophobicContact CZ-CZ3 4.06Å; W40-W54 HydrophobicContact CE3-CZ3 4.15Å; W40-W54 HydrophobicContact CZ3-CZ3 4Å; I50-W54 WeakPolarHBondContact O-CB 3.46Å; I50-W54 PolarHBondContact O-N 3.05Å; I52-W54 VanDerWaalsContact C-N 3.33Å; I52-W54 PolarHBondContact O-N 3.17Å; W54-C56 PolarHBondContact O-N 3.12Å; W54-F57 PolarHBondContact O-N 3.14Å; W54-C58 PolarHBondContact O-N 2.95Å; W54-I59 HydrophobicContact CD2-CD1 4.41Å; W54-I59 HydrophobicContact CE3-CD1 3.31Å; W54-I59 HydrophobicContact CZ3-CD1 3.46Å; W54-I59 VanDerWaalsContact CZ3-CD1 3.46Å
55L48.3Very low54.2Low73 Ų7377.4 Ų77.438%0.38242%0.424SS..Hα-helixtrans-56-40.1159.8-113158.2000111.2F51 I52 F57 C58 W60F51-L55 HydrophobicContact CD1-CD1 4.36Å; F51-L55 HydrophobicContact CE1-CD1 4.42Å; F51-L55 WeakPolarHBondContact O-CB 3.14Å; F51-L55 PolarHBondContact O-N 2.97Å; I52-L55 WeakPolarHBondContact O-CB 3.49Å; I52-L55 PolarHBondContact O-N 3.46Å; L55-F57 PolarHBondContact O-N 3.08Å; L55-C58 PolarHBondContact O-N 3.39Å; L55-W60 HydrophobicContact CD1-CZ2 4.35Å; L55-W60 HydrophobicContact CD2-CH2 4.03Å; L55-W60 HydrophobicContact CD2-CZ2 3.42Å; L55-W60 VanDerWaalsContact CD2-CZ2 3.42Å; L55-W60 HydrophobicContact CG-CZ2 3.7Å
56C45.1Very low56.6Low102 Ų10271.1 Ų71.169%0.68938%0.383SS*.THydrogen-bonded Turntrans-72.2-9.4173.3-56.90000114.4I52 C53 W54I52-C56 PolarHBondContact O-N 2.78Å; C53-C56 WeakPolarHBondContact O-CB 3.36Å; C53-C56 PolarHBondContact O-N 3.5Å; W54-C56 PolarHBondContact O-N 3.12Å
57F48Very low58.9Low92 Ų9261.9 Ų61.940%0.40434%0.343SS..THydrogen-bonded Turntrans-101.25.3174.4-76.2-62000114C53 W54 L55 I59 Y69C53-F57 WeakPolarHBondContact O-CD2 3.24Å; W54-F57 PolarHBondContact O-N 3.14Å; L55-F57 PolarHBondContact O-N 3.08Å; F57-I59 PolarHBondContact O-N 2.97Å; F57-Y69 VanDerWaalsContact O-CZ 3.24Å; F57-Y69 PolarHBondContact O-OH 3.3Å
58C49.9Very low61.2Low59 Ų5958.2 Ų58.240%0.39932%0.323SS..THydrogen-bonded Turntrans57.734.2159.4-63.70000118W54 L55 W60 Y69 P74W54-C58 PolarHBondContact O-N 2.95Å; L55-C58 PolarHBondContact O-N 3.39Å; C58-W60 PolarHBondContact O-N 3.44Å; C58-Y69 HydrophobicContact CB-CE1 3.93Å; C58-Y69 PolarHBondContact O-OH 3.05Å; C58-P74 WeakPolarHBondContact O-CB 3.31Å
59I57.1Low63.5Low11 Ų1156.7 Ų56.76%0.05631%0.306CS..  trans-74.933.3177.5-61.6152.2000112.2V8 W40 W54 F57 V65 Y69V8-I59 HydrophobicContact CG1-CD1 4.24Å; W40-I59 HydrophobicContact CH2-CG2 4.36Å; W54-I59 HydrophobicContact CD2-CD1 4.41Å; W54-I59 HydrophobicContact CE3-CD1 3.31Å; W54-I59 HydrophobicContact CZ3-CD1 3.46Å; W54-I59 VanDerWaalsContact CZ3-CD1 3.46Å; F57-I59 PolarHBondContact O-N 2.97Å; I59-V65 HydrophobicContact CG2-CG1 3.92Å; I59-Y69 WeakPolarHBondContact CG1-OH 3.4Å
60W56.8Low65.6Low159 Ų15952.2 Ų52.260%0.60228%0.278SS*.THydrogen-bonded Turntrans-102.52.5-138.3-105.967.4000118.2L55 C58L55-W60 HydrophobicContact CD1-CZ2 4.35Å; L55-W60 HydrophobicContact CD2-CH2 4.03Å; L55-W60 HydrophobicContact CD2-CZ2 3.42Å; L55-W60 VanDerWaalsContact CD2-CZ2 3.42Å; L55-W60 HydrophobicContact CG-CZ2 3.7Å; C58-W60 PolarHBondContact O-N 3.44Å
61A68.8Low67.6Low16 Ų1650.5 Ų50.513%0.13228%0.278CS..THydrogen-bonded Turntrans-72.2-55.9175.400000112.2V76 W256 H300A61-V76 HydrophobicContact CB-CG2 3.67Å; A61-W256 HydrophobicContact CB-CH2 4.06Å; A61-W256 HydrophobicContact CB-CZ3 3.68Å; A61-H300 PolarHBondContact O-NE2 3.23Å
62F78Confident69.5Low7 Ų747.2 Ų47.23%0.03128%0.279CS..THydrogen-bonded Turntrans-126.73.9-174.2-48.7-56000114.3V76 Q77 W256 Q259 V260 Q263 K296 H300F62-V76 HydrophobicContact CD2-CG2 3.63Å; F62-V76 HydrophobicContact CE2-CG2 4.09Å; F62-Q77 HydrophobicContact CD2-CG 3.79Å; F62-Q77 HydrophobicContact CE2-CG 3.97Å; F62-W256 HydrophobicContact CE1-CH2 4.32Å; F62-W256 AromaticContact CZ-CH2 4Å; F62-W256 HydrophobicContact CZ-CH2 4Å; F62-W256 HydrophobicContact CZ-CZ3 4.22Å; F62-Q259 HydrophobicContact CE2-CB 3.95Å; F62-Q259 VanDerWaalsContact CE2-O 3.28Å; F62-Q259 WeakPolarHBondContact CE2-O 3.49Å; F62-Q259 HydrophobicContact CZ-CB 4.39Å; F62-V260 HydrophobicContact CZ-CG2 4.22Å; F62-Q263 HydrophobicContact CD1-CB 4.25Å; F62-Q263 HydrophobicContact CD1-CG 3.74Å; F62-Q263 HydrophobicContact CD2-CB 4.06Å; F62-Q263 HydrophobicContact CD2-CG 4.29Å; F62-Q263 HydrophobicContact CE1-CB 3.99Å; F62-Q263 HydrophobicContact CE1-CG 3.8Å; F62-Q263 HydrophobicContact CE2-CB 3.78Å; F62-Q263 HydrophobicContact CE2-CG 4.33Å; F62-Q263 HydrophobicContact CG-CB 4.29Å; F62-Q263 HydrophobicContact CG-CG 4.01Å; F62-Q263 HydrophobicContact CZ-CB 3.75Å; F62-Q263 HydrophobicContact CZ-CG 4.1Å; F62-K296 HydrophobicContact CB-CD 4.41Å; F62-K296 HydrophobicContact CD1-CB 4.34Å; F62-H300 AromaticContact CE1-CD2 3.95Å
63G76.4Confident71.5Confident48 Ų4846.3 Ų46.350%0.49527%0.271SS..SBendtrans69.136.3-179.100000113.2
64Q78.2Confident73.6Confident53 Ų5345.6 Ų45.625%0.24827%0.266CS..  trans-136149.8-173.8-73.2172.3-111.200110.6
65V83.1Confident75.7Confident21 Ų2143.4 Ų43.413%0.12726%0.257CS..SBendtrans-114159.1168.6-69.60000110V8 F10 F35 W40 I59V8-V65 HydrophobicContact CG1-CG1 4.37Å; F10-V65 HydrophobicContact CD2-CG2 3.48Å; F10-V65 VanDerWaalsContact CD2-CG2 3.48Å; F10-V65 HydrophobicContact CE2-CG2 3.46Å; F10-V65 VanDerWaalsContact CE2-CG2 3.46Å; F10-V65 HydrophobicContact CG-CG2 4.31Å; F10-V65 HydrophobicContact CZ-CG2 4.28Å; F35-V65 HydrophobicContact CE1-CG1 4.17Å; F35-V65 HydrophobicContact CZ-CB 4.37Å; F35-V65 HydrophobicContact CZ-CG1 3.94Å; F35-V65 HydrophobicContact CZ-CG2 3.82Å; W40-V65 HydrophobicContact CH2-CG1 4.12Å; W40-V65 HydrophobicContact CH2-CG2 4.3Å; W40-V65 HydrophobicContact CZ3-CG1 3.98Å; W40-V65 HydrophobicContact CZ3-CG2 4.23Å; I59-V65 HydrophobicContact CG2-CG1 3.92Å
66P90.5Very high77.8Confident5 Ų540 Ų403%0.03224%0.239CC..  cis-63.4149.93.527.3-37.2000114L7 V8 L15 I19 I81L7-P66 HydrophobicContact CD1-CB 4.35Å; V8-P66 CarbonylContact O-C 3.6Å; V8-P66 WeakPolarHBondContact O-CA 3.28Å; L15-P66 HydrophobicContact CB-CG 4.07Å; I19-P66 HydrophobicContact CD1-CB 3.58Å; I19-P66 HydrophobicContact CD1-CG 3.46Å; I19-P66 VanDerWaalsContact CD1-CG 3.46Å; P66-I81 HydrophobicContact CB-CD1 4.04Å; P66-I81 HydrophobicContact CG-CD1 4.09Å; P66-I81 WeakPolarHBondContact O-CD1 3.3Å
67C91.4Very high79.9Confident0 Ų035.6 Ų35.60%021%0.209CC..EExtended strand (participates in β ladder)trans-125.9126.6166.4-169.40000109.3V8 Y69 I75 V76V8-C67 PolarHBondContact N-O 2.86Å; V8-C67 PolarHBondContact O-N 2.67Å; C67-Y69 HydrophobicContact CB-CE2 4.04Å; C67-Y69 PolarHBondContact SG-OH 2.95Å; C67-I75 CarbonylContact C-O 3.58Å; C67-I75 WeakPolarHBondContact CA-O 2.98Å; C67-V76 HydrophobicContact CB-CG1 3.88Å; C67-V76 VanDerWaalsContact SG-CG1 3.56Å
68L93.2Very high82Confident0 Ų031.3 Ų31.30%019%0.19CC..EExtended strand (participates in β ladder)trans-99.6129.9168.6-17875.4000108.6L5 K6 L7 L23 I75 I81 L85L5-L68 HydrophobicContact CB-CD1 4.31Å; L5-L68 HydrophobicContact CD1-CD1 4.43Å; L5-L68 HydrophobicContact CD2-CD1 4.38Å; L5-L68 HydrophobicContact CD2-CD2 4.36Å; K6-L68 CarbonylContact O-C 3.59Å; K6-L68 WeakPolarHBondContact O-CA 3.18Å; L7-L68 HydrophobicContact CB-CD1 4.42Å; L7-L68 HydrophobicContact CD1-CB 4.3Å; L7-L68 HydrophobicContact CD1-CD1 4.26Å; L23-L68 HydrophobicContact CD1-CD1 4.43Å; L68-I75 PolarHBondContact N-O 2.79Å; L68-I75 PolarHBondContact O-N 3.43Å; L68-I81 HydrophobicContact CB-CB 4.5Å; L68-I81 HydrophobicContact CB-CD1 4.21Å; L68-I81 HydrophobicContact CB-CG1 4.09Å; L68-I81 HydrophobicContact CB-CG2 3.64Å; L68-I81 HydrophobicContact CD2-CG2 3.86Å; L68-I81 HydrophobicContact CG-CG2 4.31Å; L68-L85 HydrophobicContact CD2-CD2 3.78Å; L68-L85 HydrophobicContact CD2-CG 4.13Å
69Y91.9Very high84Confident23 Ų2328.5 Ų28.59%0.0917%0.171CC..EExtended strand (participates in β ladder)trans-96.9120.1165.9-56.8-93.6000107.5L5 K6 V8 F57 C58 I59 C67 K73 P74L5-Y69 VanDerWaalsContact CA-O 3.3Å; L5-Y69 WeakPolarHBondContact CA-O 3.22Å; K6-Y69 HydrophobicContact CB-CD2 4.15Å; K6-Y69 HydrophobicContact CD-CD2 4.33Å; K6-Y69 HydrophobicContact CG-CD2 4.2Å; K6-Y69 PolarHBondContact N-O 3.39Å; K6-Y69 PolarHBondContact O-N 3.41Å; V8-Y69 HydrophobicContact CB-CE2 4.16Å; V8-Y69 HydrophobicContact CG2-CD2 4.2Å; V8-Y69 HydrophobicContact CG2-CE2 3.66Å; F57-Y69 VanDerWaalsContact O-CZ 3.24Å; F57-Y69 PolarHBondContact O-OH 3.3Å; C58-Y69 HydrophobicContact CB-CE1 3.93Å; C58-Y69 PolarHBondContact O-OH 3.05Å; I59-Y69 WeakPolarHBondContact CG1-OH 3.4Å; C67-Y69 HydrophobicContact CB-CE2 4.04Å; C67-Y69 PolarHBondContact SG-OH 2.95Å; Y69-K73 WeakPolarHBondContact CA-O 3.43Å; Y69-P74 HydrophobicContact CD1-CB 4.14Å; Y69-P74 HydrophobicContact CE1-CB 3.74Å
70D91.7Very high85.8Confident17 Ų1728 Ų289%0.09117%0.169CC..EExtended strand (participates in β ladder)trans-108.4111.4169.3179.830.9000108.8L5 G72 K73 H84 R88L5-D70 HydrophobicContact CD2-CB 3.83Å; L5-D70 WeakPolarHBondContact CD2-OD1 3.27Å; D70-G72 PolarHBondContact O-N 3.49Å; D70-K73 PolarHBondContact N-O 3.27Å; D70-K73 VanDerWaalsContact O-CB 3.25Å; D70-K73 WeakPolarHBondContact O-CB 3.31Å; D70-K73 PolarHBondContact O-N 3.21Å; D70-H84 IonicContact OD2-CE1 3.29Å; D70-H84 PolarHBondContact OD2-CE1 3.36Å; D70-H84 IonicContact OD2-NE2 2.71Å; D70-H84 PolarHBondContact OD2-NE2 3.35Å; D70-R88 VanDerWaalsContact CG-NH1 3.26Å; D70-R88 IonicContact OD1-CZ 2.73Å; D70-R88 IonicContact OD1-NE 3.29Å; D70-R88 PolarHBondContact OD1-NE 2.77Å; D70-R88 IonicContact OD1-NH1 2.78Å; D70-R88 PolarHBondContact OD1-NH1 2.86Å; D70-R88 IonicContact OD1-NH2 3.79Å; D70-R88 PolarHBondContact OD1-NH2 3.13Å; D70-R88 WeakPolarHBondContact OD2-CD 3.46Å; D70-R88 IonicContact OD2-CZ 3.01Å; D70-R88 IonicContact OD2-NE 3.59Å; D70-R88 IonicContact OD2-NH1 3.05Å; D70-R88 PolarHBondContact OD2-NH1 3.44Å
71G89Confident87.6Confident37 Ų3720.4 Ų20.438%0.38114%0.14SC..THydrogen-bonded Turntrans60.615.3-173.900000115.2S2S2-G71 WeakPolarHBondContact O-CA 3.41Å
72G84.7Confident89Confident53 Ų5319.6 Ų19.655%0.54613%0.134SC..THydrogen-bonded Turntrans94.4-7.7-171.100000115.2D70 P74D70-G72 PolarHBondContact O-N 3.49Å; G72-P74 VanDerWaalsContact O-CD 3.29Å; G72-P74 WeakPolarHBondContact O-CD 3.19Å
73K86.8Confident89.9Confident83 Ų8319.3 Ų19.336%0.36113%0.132SC..EExtended strand (participates in β ladder)trans-70.9114.8169.8-177.3-169.9-174.9-177.80108.9Y69 D70 E252 D255Y69-K73 WeakPolarHBondContact CA-O 3.43Å; D70-K73 PolarHBondContact N-O 3.27Å; D70-K73 VanDerWaalsContact O-CB 3.25Å; D70-K73 WeakPolarHBondContact O-CB 3.31Å; D70-K73 PolarHBondContact O-N 3.21Å; K73-E252 PolarHBondContact NZ-O 2.97Å; K73-D255 IonicContact NZ-OD2 3.15Å; K73-D255 PolarHBondContact NZ-OD2 2.94Å
74P89Confident90.8Very high52 Ų5217.5 Ų17.534%0.33811%0.111SC..EExtended strand (participates in β ladder)trans-70.4135.5173.528.4-32.9000111C58 Y69 G72C58-P74 WeakPolarHBondContact O-CB 3.31Å; Y69-P74 HydrophobicContact CD1-CB 4.14Å; Y69-P74 HydrophobicContact CE1-CB 3.74Å; G72-P74 VanDerWaalsContact O-CD 3.29Å; G72-P74 WeakPolarHBondContact O-CD 3.19Å
75I92.1Very high91.6Very high0 Ų015 Ų150%010%0.099CC..EExtended strand (participates in β ladder)trans-129.5107.1170.2-52.9177.7000105.7C67 L68 A80 I81 H84 D255 Q259C67-I75 CarbonylContact C-O 3.58Å; C67-I75 WeakPolarHBondContact CA-O 2.98Å; L68-I75 PolarHBondContact N-O 2.79Å; L68-I75 PolarHBondContact O-N 3.43Å; I75-A80 HydrophobicContact CG2-CB 4.25Å; I75-I81 HydrophobicContact CB-CG1 4.29Å; I75-I81 HydrophobicContact CG2-CG1 3.83Å; I75-I81 VanDerWaalsContact O-CD1 3.26Å; I75-I81 WeakPolarHBondContact O-CD1 3.34Å; I75-I81 WeakPolarHBondContact O-CG1 3.38Å; I75-H84 HydrophobicContact CD1-CB 3.97Å; I75-H84 VanDerWaalsContact CD1-ND1 3.28Å; I75-H84 WeakPolarHBondContact CD1-ND1 3.41Å; I75-D255 HydrophobicContact CD1-CB 4.14Å; I75-D255 HydrophobicContact CG1-CB 4.45Å; I75-Q259 HydrophobicContact CG2-CG 4.46Å
76V91.5Very high92.2Very high1 Ų114 Ų141%0.0069%0.093CC..EExtended strand (participates in β ladder)trans-93-171.2168.7-57.70000109.8A61 F62 C67 Q259A61-V76 HydrophobicContact CB-CG2 3.67Å; F62-V76 HydrophobicContact CD2-CG2 3.63Å; F62-V76 HydrophobicContact CE2-CG2 4.09Å; C67-V76 HydrophobicContact CB-CG1 3.88Å; C67-V76 VanDerWaalsContact SG-CG1 3.56Å; V76-Q259 HydrophobicContact CG2-CG 4.35Å; V76-Q259 WeakPolarHBondContact O-CG 3.4Å
77Q89.9Confident92.4Very high10 Ų1017.2 Ų17.25%0.04711%0.105CC..SBendtrans61.1109.7-176.5-77-68.61.600112.1F62 G79 A80 I81 Q259 E262 Q263 D266F62-Q77 HydrophobicContact CD2-CG 3.79Å; F62-Q77 HydrophobicContact CE2-CG 3.97Å; Q77-G79 PolarHBondContact O-N 3.5Å; Q77-G79 VanDerWaalsContact O-N 3.1Å; Q77-A80 HydrophobicContact CB-CB 4.33Å; Q77-A80 WeakPolarHBondContact O-CA 3.41Å; Q77-A80 WeakPolarHBondContact O-CB 3.33Å; Q77-A80 PolarHBondContact O-N 2.91Å; Q77-I81 PolarHBondContact O-N 2.74Å; Q77-Q259 HydrophobicContact CB-CG 4.35Å; Q77-E262 HydrophobicContact CB-CB 3.91Å; Q77-E262 HydrophobicContact CB-CG 4.46Å; Q77-E262 HydrophobicContact CG-CB 4Å; Q77-Q263 VanDerWaalsContact NE2-OE1 3.15Å; Q77-D266 PolarHBondContact NE2-OD2 3.17Å; Q77-D266 PolarHBondContact OE1-OD2 3.37Å
78S91.6Very high92.5Very high2 Ų221.5 Ų21.51%0.01412%0.121CC..Hα-helixtrans-59.1-33-170.163.60000113.3M18 I81 M82 Y105M18-S78 VanDerWaalsContact CE-CB 3.47Å; S78-I81 PolarHBondContact O-N 3.36Å; S78-M82 WeakPolarHBondContact O-CB 3.32Å; S78-M82 WeakPolarHBondContact O-CG 3.4Å; S78-M82 PolarHBondContact O-N 3.4Å; S78-Y105 PolarHBondContact O-OH 3.43Å
79G92.9Very high92.5Very high0 Ų024.9 Ų24.90%013%0.134CC..Hα-helixtrans-59.7-42.5170.100000113.9Q77 R83 Y105Q77-G79 PolarHBondContact O-N 3.5Å; Q77-G79 VanDerWaalsContact O-N 3.1Å; G79-R83 WeakPolarHBondContact O-CB 3.47Å; G79-R83 WeakPolarHBondContact O-CG 3.47Å; G79-R83 PolarHBondContact O-N 3.2Å; G79-R83 VanDerWaalsContact O-N 3.16Å; G79-Y105 WeakPolarHBondContact CA-OH 3.44Å; G79-Y105 PolarHBondContact N-OH 2.99Å
80A94.1Very high92.6Very high0 Ų029.9 Ų29.90%016%0.163CC..Hα-helixtrans-71.7-39.8176.800000112.1I75 Q77 R83 H84 D258 Q259I75-A80 HydrophobicContact CG2-CB 4.25Å; Q77-A80 HydrophobicContact CB-CB 4.33Å; Q77-A80 WeakPolarHBondContact O-CA 3.41Å; Q77-A80 WeakPolarHBondContact O-CB 3.33Å; Q77-A80 PolarHBondContact O-N 2.91Å; A80-R83 PolarHBondContact O-N 3.49Å; A80-H84 VanDerWaalsContact O-CB 3.31Å; A80-H84 WeakPolarHBondContact O-CB 3.26Å; A80-H84 PolarHBondContact O-N 2.88Å; A80-D258 HydrophobicContact CB-CB 3.6Å; A80-Q259 HydrophobicContact CB-CB 4.37Å; A80-Q259 HydrophobicContact CB-CG 3.65Å
81I96Very high92.8Very high0 Ų029.8 Ų29.80%016%0.162CC..Hα-helixtrans-60.8-49.5175.9-61.7169.4000111I19 P66 L68 I75 Q77 S78 R83 H84 L85I19-I81 HydrophobicContact CD1-CB 4.11Å; I19-I81 HydrophobicContact CD1-CD1 3.86Å; I19-I81 HydrophobicContact CD1-CG2 3.78Å; I19-I81 HydrophobicContact CG1-CG2 4Å; I19-I81 HydrophobicContact CG2-CG2 3.77Å; P66-I81 HydrophobicContact CB-CD1 4.04Å; P66-I81 HydrophobicContact CG-CD1 4.09Å; P66-I81 WeakPolarHBondContact O-CD1 3.3Å; L68-I81 HydrophobicContact CB-CB 4.5Å; L68-I81 HydrophobicContact CB-CD1 4.21Å; L68-I81 HydrophobicContact CB-CG1 4.09Å; L68-I81 HydrophobicContact CB-CG2 3.64Å; L68-I81 HydrophobicContact CD2-CG2 3.86Å; L68-I81 HydrophobicContact CG-CG2 4.31Å; I75-I81 HydrophobicContact CB-CG1 4.29Å; I75-I81 HydrophobicContact CG2-CG1 3.83Å; I75-I81 VanDerWaalsContact O-CD1 3.26Å; I75-I81 WeakPolarHBondContact O-CD1 3.34Å; I75-I81 WeakPolarHBondContact O-CG1 3.38Å; Q77-I81 PolarHBondContact O-N 2.74Å; S78-I81 PolarHBondContact O-N 3.36Å; I81-R83 VanDerWaalsContact C-N 3.32Å; I81-R83 PolarHBondContact O-N 2.89Å; I81-H84 WeakPolarHBondContact O-CB 3.49Å; I81-H84 PolarHBondContact O-N 3.47Å; I81-L85 HydrophobicContact CG2-CD1 4.45Å; I81-L85 WeakPolarHBondContact O-CG 3.33Å; I81-L85 PolarHBondContact O-N 3.04Å
82M96.9Very high92.9Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-61.3-42.3179.3-69.4-66.7-70.800110.9M18 I19 T22 S78 L85 G86 Y105 I158M18-M82 HydrophobicContact CE-CG 3.98Å; M18-M82 HydrophobicContact CG-CE 4.4Å; M18-M82 HydrophobicContact CG-CG 4.5Å; M18-M82 HydrophobicContact CG-SD 4.05Å; M18-M82 HydrophobicContact SD-CG 4.41Å; I19-M82 HydrophobicContact CB-SD 4.42Å; I19-M82 HydrophobicContact CG1-CG 4.26Å; I19-M82 HydrophobicContact CG1-SD 3.77Å; T22-M82 WeakPolarHBondContact OG1-CE 3.32Å; S78-M82 WeakPolarHBondContact O-CB 3.32Å; S78-M82 WeakPolarHBondContact O-CG 3.4Å; S78-M82 PolarHBondContact O-N 3.4Å; M82-L85 PolarHBondContact O-N 2.9Å; M82-G86 PolarHBondContact O-N 3.3Å; M82-Y105 HydrophobicContact CB-CE2 3.74Å; M82-Y105 HydrophobicContact CE-CE2 4.34Å; M82-Y105 HydrophobicContact CG-CE2 3.86Å; M82-I158 HydrophobicContact CB-CB 4.5Å; M82-I158 HydrophobicContact CE-CB 4.08Å; M82-I158 VanDerWaalsContact CE-O 3.29Å; M82-I158 WeakPolarHBondContact CE-O 3.07Å; M82-I158 WeakPolarHBondContact O-CG2 3.33Å
83R96.5Very high93.1Very high0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-67.7-37177-69.1179.8166.8106.11.8113.4G79 A80 I81 G86 R87 Y92 D102 E106 I158 R239 E262G79-R83 WeakPolarHBondContact O-CB 3.47Å; G79-R83 WeakPolarHBondContact O-CG 3.47Å; G79-R83 PolarHBondContact O-N 3.2Å; G79-R83 VanDerWaalsContact O-N 3.16Å; A80-R83 PolarHBondContact O-N 3.49Å; I81-R83 VanDerWaalsContact C-N 3.32Å; I81-R83 PolarHBondContact O-N 2.89Å; R83-G86 PolarHBondContact O-N 3.41Å; R83-R87 WeakPolarHBondContact O-CG 3.41Å; R83-R87 PolarHBondContact O-N 2.84Å; R83-Y92 WeakPolarHBondContact CG-OH 3.44Å; R83-D102 IonicContact CZ-OD1 2.72Å; R83-D102 VanDerWaalsContact CZ-OD1 3.29Å; R83-D102 IonicContact NE-OD1 2.02Å; R83-D102 PolarHBondContact NE-OD1 3.47Å; R83-D102 IonicContact NH2-OD1 3.32Å; R83-D102 PolarHBondContact NH2-OD1 3.23Å; R83-E106 IonicContact CZ-OE1 3.63Å; R83-E106 VanDerWaalsContact CZ-OE1 3.24Å; R83-E106 IonicContact NH1-OE1 3.32Å; R83-E106 PolarHBondContact NH1-OE1 3.22Å; R83-E106 IonicContact NH2-OE1 3.77Å; R83-E106 PolarHBondContact NH2-OE1 2.72Å; R83-I158 HydrophobicContact CG-CD1 4Å; R83-R239 VanDerWaalsContact CZ-NH1 3.28Å; R83-R239 VanDerWaalsContact NH1-NH2 3.14Å; R83-E262 IonicContact NH1-OE1 3.77Å; R83-E262 PolarHBondContact NH1-OE1 3.05Å
84H95.9Very high93.3Very high10 Ų1025.4 Ų25.45%0.04613%0.131CC..Hα-helixtrans-59.8-49.4170.8171.588.4000111.2D70 I75 A80 I81 G86 R87 R88 D255D70-H84 IonicContact OD2-CE1 3.29Å; D70-H84 PolarHBondContact OD2-CE1 3.36Å; D70-H84 IonicContact OD2-NE2 2.71Å; D70-H84 PolarHBondContact OD2-NE2 3.35Å; I75-H84 HydrophobicContact CD1-CB 3.97Å; I75-H84 VanDerWaalsContact CD1-ND1 3.28Å; I75-H84 WeakPolarHBondContact CD1-ND1 3.41Å; A80-H84 VanDerWaalsContact O-CB 3.31Å; A80-H84 WeakPolarHBondContact O-CB 3.26Å; A80-H84 PolarHBondContact O-N 2.88Å; I81-H84 WeakPolarHBondContact O-CB 3.49Å; I81-H84 PolarHBondContact O-N 3.47Å; H84-G86 VanDerWaalsContact C-N 3.31Å; H84-G86 PolarHBondContact O-N 2.96Å; H84-R87 PolarHBondContact O-N 3.24Å; H84-R87 VanDerWaalsContact O-N 3.16Å; H84-R88 WeakPolarHBondContact NE2-CD 3.48Å; H84-R88 WeakPolarHBondContact O-CB 3.22Å; H84-R88 PolarHBondContact O-N 3.05Å; H84-D255 WeakPolarHBondContact CB-OD1 3.29Å; H84-D255 IonicContact CE1-OD2 2.68Å; H84-D255 IonicContact CG-OD1 3.14Å; H84-D255 VanDerWaalsContact ND1-CG 3.34Å; H84-D255 IonicContact ND1-OD1 3.21Å; H84-D255 PolarHBondContact ND1-OD1 3.47Å; H84-D255 VanDerWaalsContact ND1-OD1 3.1Å; H84-D255 IonicContact ND1-OD2 3.86Å; H84-D255 PolarHBondContact ND1-OD2 3.16Å; H84-D255 VanDerWaalsContact ND1-OD2 3.14Å
85L95.8Very high93.3Very high0 Ų027.9 Ų27.90%015%0.147CC..Hα-helixtrans-62.3-38.4175.5-67.3-179.7000112.1L5 I19 T22 L23 L68 I81 M82 R87 R88 Y89L5-L85 HydrophobicContact CD1-CD2 4.16Å; I19-L85 HydrophobicContact CG2-CD1 3.82Å; T22-L85 HydrophobicContact CG2-CD1 4.28Å; L23-L85 HydrophobicContact CD2-CD1 3.9Å; L23-L85 HydrophobicContact CD2-CD2 3.82Å; L23-L85 HydrophobicContact CG-CD1 4.04Å; L68-L85 HydrophobicContact CD2-CD2 3.78Å; L68-L85 HydrophobicContact CD2-CG 4.13Å; I81-L85 HydrophobicContact CG2-CD1 4.45Å; I81-L85 WeakPolarHBondContact O-CG 3.33Å; I81-L85 PolarHBondContact O-N 3.04Å; M82-L85 PolarHBondContact O-N 2.9Å; L85-R87 VanDerWaalsContact C-N 3.32Å; L85-R87 PolarHBondContact O-N 2.87Å; L85-R88 PolarHBondContact O-N 3.21Å; L85-Y89 HydrophobicContact CD2-CD2 3.81Å; L85-Y89 HydrophobicContact CD2-CE2 3.67Å; L85-Y89 PolarHBondContact O-N 3.41Å
86G95.6Very high93.1Very high1 Ų133.9 Ų33.91%0.0118%0.179CC..Hα-helixtrans-53.9-46.1171.600000112.8M82 R83 H84 N90 L91M82-G86 PolarHBondContact O-N 3.3Å; R83-G86 PolarHBondContact O-N 3.41Å; H84-G86 VanDerWaalsContact C-N 3.31Å; H84-G86 PolarHBondContact O-N 2.96Å; G86-N90 CarbonylContact O-C 3.6Å; G86-N90 WeakPolarHBondContact O-CA 3.48Å; G86-N90 PolarHBondContact O-N 2.95Å; G86-L91 PolarHBondContact O-N 3.28Å
87R93.8Very high93.2Very high72 Ų7236.3 Ų36.327%0.27219%0.19SC..Hα-helixtrans-69.9-51.6175.7-69-178.7-72.8-1039.8112.2R83 H84 L85 Y89 Y92 Y248 D255 D258R83-R87 WeakPolarHBondContact O-CG 3.41Å; R83-R87 PolarHBondContact O-N 2.84Å; H84-R87 PolarHBondContact O-N 3.24Å; H84-R87 VanDerWaalsContact O-N 3.16Å; L85-R87 VanDerWaalsContact C-N 3.32Å; L85-R87 PolarHBondContact O-N 2.87Å; R87-Y89 PolarHBondContact O-N 3.42Å; R87-Y92 HydrophobicContact CG-CE2 4.36Å; R87-Y248 PolarHBondContact NH1-OH 3.2Å; R87-D255 IonicContact CZ-OD1 3.44Å; R87-D255 IonicContact NE-OD1 3.03Å; R87-D255 IonicContact NH2-OD1 2.13Å; R87-D255 PolarHBondContact NH2-OD1 3Å; R87-D258 IonicContact CZ-OD2 2.67Å; R87-D258 IonicContact NH1-OD2 3.81Å; R87-D258 PolarHBondContact NH1-OD2 2.94Å; R87-D258 IonicContact NH2-OD2 3.65Å; R87-D258 PolarHBondContact NH2-OD2 3.38Å
88R93.3Very high93.4Very high90 Ų9037.9 Ų37.934%0.3420%0.198SC..Hα-helixtrans-68.9-30.2-172-172.5171.9170.6100.99.6113.6D3 D70 H84 L85D3-R88 IonicContact OD1-CZ 3.36Å; D3-R88 IonicContact OD1-NH1 2.81Å; D3-R88 IonicContact OD1-NH2 3.5Å; D3-R88 PolarHBondContact OD1-NH2 2.78Å; D70-R88 VanDerWaalsContact CG-NH1 3.26Å; D70-R88 IonicContact OD1-CZ 2.73Å; D70-R88 IonicContact OD1-NE 3.29Å; D70-R88 PolarHBondContact OD1-NE 2.77Å; D70-R88 IonicContact OD1-NH1 2.78Å; D70-R88 PolarHBondContact OD1-NH1 2.86Å; D70-R88 IonicContact OD1-NH2 3.79Å; D70-R88 PolarHBondContact OD1-NH2 3.13Å; D70-R88 WeakPolarHBondContact OD2-CD 3.46Å; D70-R88 IonicContact OD2-CZ 3.01Å; D70-R88 IonicContact OD2-NE 3.59Å; D70-R88 IonicContact OD2-NH1 3.05Å; D70-R88 PolarHBondContact OD2-NH1 3.44Å; H84-R88 WeakPolarHBondContact NE2-CD 3.48Å; H84-R88 WeakPolarHBondContact O-CB 3.22Å; H84-R88 PolarHBondContact O-N 3.05Å; L85-R88 PolarHBondContact O-N 3.21Å
89Y94.3Very high93.5Very high71 Ų7138 Ų3828%0.27820%0.199SC..THydrogen-bonded Turntrans-120.814.5-175.7-59.8-78.5000114.3L5 I28 L85 R87 L91L5-Y89 HydrophobicContact CD1-CE2 4.08Å; I28-Y89 HydrophobicContact CD1-CD1 3.65Å; I28-Y89 HydrophobicContact CD1-CD2 3.71Å; I28-Y89 HydrophobicContact CD1-CE1 4.04Å; I28-Y89 HydrophobicContact CD1-CE2 4.1Å; I28-Y89 HydrophobicContact CD1-CG 3.48Å; I28-Y89 VanDerWaalsContact CD1-CG 3.48Å; I28-Y89 HydrophobicContact CG1-CD1 4.02Å; I28-Y89 HydrophobicContact CG1-CE1 4.12Å; I28-Y89 HydrophobicContact CG1-CG 4.36Å; I28-Y89 HydrophobicContact CG2-CE1 3.98Å; I28-Y89 HydrophobicContact CG2-CE2 4.32Å; L85-Y89 HydrophobicContact CD2-CD2 3.81Å; L85-Y89 HydrophobicContact CD2-CE2 3.67Å; L85-Y89 PolarHBondContact O-N 3.41Å; R87-Y89 PolarHBondContact O-N 3.42Å; Y89-L91 VanDerWaalsContact C-N 3.32Å; Y89-L91 PolarHBondContact O-N 3.41Å
90N93.3Very high93.6Very high128 Ų12840.2 Ų40.268%0.68421%0.207SC*.THydrogen-bonded Turntrans57.339177.6-165.773.9000114G86 Y92G86-N90 CarbonylContact O-C 3.6Å; G86-N90 WeakPolarHBondContact O-CA 3.48Å; G86-N90 PolarHBondContact O-N 2.95Å; N90-Y92 VanDerWaalsContact C-N 3.27Å; N90-Y92 PolarHBondContact O-N 2.85Å
91L95.3Very high93.7Very high15 Ų1540.2 Ų40.28%0.07921%0.207CC..THydrogen-bonded Turntrans-94.229.3-179-49.9177.9000112.3T22 N26 G86 Y89 T157 I158T22-L91 HydrophobicContact CG2-CD1 3.53Å; N26-L91 WeakPolarHBondContact OD1-CD2 3.16Å; G86-L91 PolarHBondContact O-N 3.28Å; Y89-L91 VanDerWaalsContact C-N 3.32Å; Y89-L91 PolarHBondContact O-N 3.41Å; L91-T157 CarbonylContact O-C 3.43Å; L91-T157 VanDerWaalsContact O-CA 3.23Å; L91-T157 WeakPolarHBondContact O-CA 3.24Å; L91-T157 VanDerWaalsContact O-CB 3.28Å; L91-T157 WeakPolarHBondContact O-CB 3.4Å; L91-I158 HydrophobicContact CB-CG2 3.9Å; L91-I158 PolarHBondContact O-N 3.33Å
92Y92.3Very high93.7Very high7 Ų740.2 Ų40.23%0.02721%0.207CC..THydrogen-bonded Turntrans-112.1-2.7-176.2-113.3-59.4000113.9R83 R87 N90 M98 V101 D102 I158R83-Y92 WeakPolarHBondContact CG-OH 3.44Å; R87-Y92 HydrophobicContact CG-CE2 4.36Å; N90-Y92 VanDerWaalsContact C-N 3.27Å; N90-Y92 PolarHBondContact O-N 2.85Å; Y92-M98 HydrophobicContact CD1-CB 4.08Å; Y92-M98 HydrophobicContact CD1-CE 4.06Å; Y92-M98 HydrophobicContact CD1-CG 4.07Å; Y92-M98 HydrophobicContact CD2-CE 3.66Å; Y92-M98 HydrophobicContact CE1-CB 4.37Å; Y92-M98 HydrophobicContact CE1-CE 4.32Å; Y92-M98 HydrophobicContact CE2-CE 3.96Å; Y92-M98 HydrophobicContact CG-CE 3.72Å; Y92-M98 HydrophobicContact CG-CG 4.24Å; Y92-V101 HydrophobicContact CD1-CB 3.86Å; Y92-V101 HydrophobicContact CD1-CG1 3.68Å; Y92-V101 HydrophobicContact CE1-CB 4.12Å; Y92-V101 HydrophobicContact CE1-CG1 3.86Å; Y92-V101 WeakPolarHBondContact O-CG2 3.14Å; Y92-D102 PolarHBondContact OH-OD1 3.3Å; Y92-I158 HydrophobicContact CD1-CD1 4.4Å; Y92-I158 HydrophobicContact CD2-CD1 4.37Å; Y92-I158 HydrophobicContact CE1-CD1 3.92Å; Y92-I158 HydrophobicContact CE2-CD1 3.88Å
93G87.6Confident93.6Very high27 Ų2740.4 Ų40.428%0.27821%0.208SC..  trans75.3-152.5-168.400000112.2
94S90.9Very high93.5Very high47 Ų4740.4 Ų40.433%0.32921%0.208SC..SBendtrans-77.3163.6171.664.20000112.3D96 E97 M98S94-D96 PolarHBondContact O-N 3.33Å; S94-E97 WeakPolarHBondContact CB-OE2 3.41Å; S94-E97 PolarHBondContact N-OE2 3.36Å; S94-E97 PolarHBondContact O-N 2.83Å; S94-E97 VanDerWaalsContact OG-CD 3.3Å; S94-E97 WeakPolarHBondContact OG-CG 3.39Å; S94-E97 PolarHBondContact OG-OE2 2.9Å; S94-M98 PolarHBondContact O-N 2.92Å
95P89.2Confident93.5Very high105 Ų10539.9 Ų39.968%0.68221%0.206SC*.THydrogen-bonded Turntrans-53.6-36.9176.9-28.937.1000114E97 M98P95-E97 VanDerWaalsContact C-N 3.27Å; P95-E97 PolarHBondContact O-N 2.97Å; P95-M98 PolarHBondContact O-N 2.84Å
96D88.6Confident93.3Very high126 Ų12639.9 Ų39.967%0.67421%0.206SC*.THydrogen-bonded Turntrans-69.3-25.3178.2-66.1-49.3000112.9S94 K229S94-D96 PolarHBondContact O-N 3.33Å; D96-K229 PolarHBondContact O-NZ 3.16Å
97E93.2Very high93.2Very high51 Ų5139.9 Ų39.924%0.23821%0.205CC..THydrogen-bonded Turntrans-86.8-16.8179.6-68.4169.1120.700113.3S94 P95 D99 W100 V101 A152 G153S94-E97 WeakPolarHBondContact CB-OE2 3.41Å; S94-E97 PolarHBondContact N-OE2 3.36Å; S94-E97 PolarHBondContact O-N 2.83Å; S94-E97 VanDerWaalsContact OG-CD 3.3Å; S94-E97 WeakPolarHBondContact OG-CG 3.39Å; S94-E97 PolarHBondContact OG-OE2 2.9Å; P95-E97 VanDerWaalsContact C-N 3.27Å; P95-E97 PolarHBondContact O-N 2.97Å; E97-D99 VanDerWaalsContact C-N 3.3Å; E97-D99 PolarHBondContact O-N 2.81Å; E97-W100 CarbonylContact O-C 3.18Å; E97-W100 WeakPolarHBondContact O-CA 3.48Å; E97-W100 WeakPolarHBondContact O-CB 3.38Å; E97-W100 PolarHBondContact O-N 2.91Å; E97-V101 PolarHBondContact O-N 3.04Å; E97-A152 HydrophobicContact CB-CB 4.22Å; E97-A152 HydrophobicContact CG-CB 4.41Å; E97-G153 WeakPolarHBondContact OE1-CA 2.97Å; E97-G153 PolarHBondContact OE1-N 2.82Å
98M94Very high93Very high43 Ų4336.5 Ų36.521%0.21219%0.193CC..Hα-helixtrans-55.3-42-175.2-64.6-172.278.900113.4Y92 S94 P95 W100 V101 D102Y92-M98 HydrophobicContact CD1-CB 4.08Å; Y92-M98 HydrophobicContact CD1-CE 4.06Å; Y92-M98 HydrophobicContact CD1-CG 4.07Å; Y92-M98 HydrophobicContact CD2-CE 3.66Å; Y92-M98 HydrophobicContact CE1-CB 4.37Å; Y92-M98 HydrophobicContact CE1-CE 4.32Å; Y92-M98 HydrophobicContact CE2-CE 3.96Å; Y92-M98 HydrophobicContact CG-CE 3.72Å; Y92-M98 HydrophobicContact CG-CG 4.24Å; S94-M98 PolarHBondContact O-N 2.92Å; P95-M98 PolarHBondContact O-N 2.84Å; M98-W100 VanDerWaalsContact C-N 3.26Å; M98-W100 PolarHBondContact O-N 2.78Å; M98-V101 PolarHBondContact O-N 3.02Å; M98-D102 WeakPolarHBondContact O-CB 3.34Å; M98-D102 PolarHBondContact O-N 2.85Å
99D93.7Very high92.9Very high5 Ų533 Ų333%0.02718%0.18CC..Hα-helixtrans-67.2-27.9177.3-53.8-46.6000112.5E97 Q103 K229 I231 H240 R243E97-D99 VanDerWaalsContact C-N 3.3Å; E97-D99 PolarHBondContact O-N 2.81Å; D99-Q103 WeakPolarHBondContact O-CB 3.32Å; D99-Q103 VanDerWaalsContact O-CG 3.26Å; D99-Q103 WeakPolarHBondContact O-CG 3.4Å; D99-Q103 PolarHBondContact O-N 3.01Å; D99-Q103 VanDerWaalsContact O-N 3.11Å; D99-Q103 PolarHBondContact O-NE2 2.79Å; D99-K229 IonicContact OD2-NZ 3.1Å; D99-K229 PolarHBondContact OD2-NZ 2.95Å; D99-I231 HydrophobicContact CB-CD1 4.17Å; D99-H240 WeakPolarHBondContact OD1-CB 3.34Å; D99-H240 IonicContact OD1-CE1 2.73Å; D99-H240 PolarHBondContact OD1-CE1 3.29Å; D99-H240 IonicContact OD1-CG 3.01Å; D99-H240 IonicContact OD1-ND1 2.8Å; D99-H240 PolarHBondContact OD1-ND1 2.85Å; D99-H240 IonicContact OD2-CE1 2.76Å; D99-H240 PolarHBondContact OD2-CE1 2.79Å; D99-H240 IonicContact OD2-CG 2.97Å; D99-H240 IonicContact OD2-ND1 2.88Å; D99-H240 PolarHBondContact OD2-ND1 3.1Å; D99-H240 IonicContact OD2-NE2 2.77Å; D99-H240 PolarHBondContact OD2-NE2 3.02Å; D99-R243 IonicContact OD1-CZ 2.67Å; D99-R243 IonicContact OD1-NE 2.89Å; D99-R243 PolarHBondContact OD1-NE 3.21Å; D99-R243 IonicContact OD1-NH2 2.7Å; D99-R243 PolarHBondContact OD1-NH2 3.14Å
100W95Very high92.6Very high47 Ų4731.2 Ų31.218%0.17818%0.175CC..Hα-helixtrans-80.7-39177.7178.6-113.5000111.6E97 M98 Q103 V104 H144 F151 A217 F218E97-W100 CarbonylContact O-C 3.18Å; E97-W100 WeakPolarHBondContact O-CA 3.48Å; E97-W100 WeakPolarHBondContact O-CB 3.38Å; E97-W100 PolarHBondContact O-N 2.91Å; M98-W100 VanDerWaalsContact C-N 3.26Å; M98-W100 PolarHBondContact O-N 2.78Å; W100-Q103 HydrophobicContact CE3-CB 4.01Å; W100-Q103 HydrophobicContact CZ3-CB 4.21Å; W100-Q103 WeakPolarHBondContact O-CB 3.41Å; W100-Q103 PolarHBondContact O-N 2.86Å; W100-V104 HydrophobicContact CD2-CG2 4.24Å; W100-V104 HydrophobicContact CH2-CG2 4.06Å; W100-V104 HydrophobicContact CZ2-CG2 3.49Å; W100-V104 VanDerWaalsContact CZ2-CG2 3.49Å; W100-V104 WeakPolarHBondContact O-CG2 3.28Å; W100-V104 PolarHBondContact O-N 2.99Å; W100-H144 HydrophobicContact CH2-CB 4.02Å; W100-H144 AromaticContact CH2-CD2 3.74Å; W100-H144 AromaticContact CH2-CE1 3.92Å; W100-H144 AromaticContact CH2-CG 3.55Å; W100-H144 AromaticContact CH2-ND1 3.69Å; W100-H144 AromaticContact CH2-NE2 3.96Å; W100-H144 HydrophobicContact CZ2-CB 3.6Å; W100-H144 AromaticContact CZ2-CG 3.67Å; W100-H144 AromaticContact CZ2-ND1 3.98Å; W100-F151 PolarHBondContact NE1-O 2.71Å; W100-A217 HydrophobicContact CZ3-CB 4.26Å; W100-F218 HydrophobicContact CH2-CE1 4.08Å; W100-F218 HydrophobicContact CH2-CE2 4.39Å; W100-F218 AromaticContact CH2-CZ 3.66Å; W100-F218 HydrophobicContact CH2-CZ 3.66Å; W100-F218 HydrophobicContact CZ2-CZ 4.42Å; W100-F218 HydrophobicContact CZ3-CE2 4.45Å; W100-F218 HydrophobicContact CZ3-CZ 4.14Å
101V96.3Very high92.4Very high0 Ų025.1 Ų25.10%014%0.143CC..Hα-helixtrans-61.7-43.9170.3174.60000110.7Y92 E97 M98 Q103 V104 Y105 A152 T157 I158 A159Y92-V101 HydrophobicContact CD1-CB 3.86Å; Y92-V101 HydrophobicContact CD1-CG1 3.68Å; Y92-V101 HydrophobicContact CE1-CB 4.12Å; Y92-V101 HydrophobicContact CE1-CG1 3.86Å; Y92-V101 WeakPolarHBondContact O-CG2 3.14Å; E97-V101 PolarHBondContact O-N 3.04Å; M98-V101 PolarHBondContact O-N 3.02Å; V101-Q103 VanDerWaalsContact C-N 3.34Å; V101-Q103 PolarHBondContact O-N 3.32Å; V101-V104 PolarHBondContact O-N 3.04Å; V101-Y105 VanDerWaalsContact O-CB 3.32Å; V101-Y105 WeakPolarHBondContact O-CB 3.43Å; V101-Y105 PolarHBondContact O-N 3.23Å; V101-A152 HydrophobicContact CG2-CB 3.73Å; V101-T157 HydrophobicContact CG2-CG2 3.87Å; V101-I158 HydrophobicContact CG1-CD1 4.28Å; V101-I158 HydrophobicContact CG1-CG1 3.57Å; V101-A159 HydrophobicContact CG1-CB 3.94Å
102D95.7Very high92.1Very high0 Ų025.2 Ų25.20%014%0.143CC..Hα-helixtrans-60.1-41.6172.6-88.4-35.9000112.3R83 Y92 M98 Y105 E106 A236 R243R83-D102 IonicContact CZ-OD1 2.72Å; R83-D102 VanDerWaalsContact CZ-OD1 3.29Å; R83-D102 IonicContact NE-OD1 2.02Å; R83-D102 PolarHBondContact NE-OD1 3.47Å; R83-D102 IonicContact NH2-OD1 3.32Å; R83-D102 PolarHBondContact NH2-OD1 3.23Å; Y92-D102 PolarHBondContact OH-OD1 3.3Å; M98-D102 WeakPolarHBondContact O-CB 3.34Å; M98-D102 PolarHBondContact O-N 2.85Å; D102-Y105 PolarHBondContact O-N 2.8Å; D102-E106 WeakPolarHBondContact O-CG 3.38Å; D102-E106 PolarHBondContact O-N 3.27Å; D102-A236 HydrophobicContact CB-CB 3.73Å; D102-R243 IonicContact OD2-CZ 3.17Å; D102-R243 VanDerWaalsContact OD2-CZ 3.24Å; D102-R243 IonicContact OD2-NH1 4Å; D102-R243 PolarHBondContact OD2-NH1 3.42Å; D102-R243 IonicContact OD2-NH2 2.89Å; D102-R243 PolarHBondContact OD2-NH2 2.8Å
103Q95Very high91.9Very high3 Ų327 Ų271%0.01416%0.155CC..Hα-helixtrans-59.3-50.1177-88.2168.493.500112.2D99 W100 V101 Q107 F218 I231 V232 Q233 A236D99-Q103 WeakPolarHBondContact O-CB 3.32Å; D99-Q103 VanDerWaalsContact O-CG 3.26Å; D99-Q103 WeakPolarHBondContact O-CG 3.4Å; D99-Q103 PolarHBondContact O-N 3.01Å; D99-Q103 VanDerWaalsContact O-N 3.11Å; D99-Q103 PolarHBondContact O-NE2 2.79Å; W100-Q103 HydrophobicContact CE3-CB 4.01Å; W100-Q103 HydrophobicContact CZ3-CB 4.21Å; W100-Q103 WeakPolarHBondContact O-CB 3.41Å; W100-Q103 PolarHBondContact O-N 2.86Å; V101-Q103 VanDerWaalsContact C-N 3.34Å; V101-Q103 PolarHBondContact O-N 3.32Å; Q103-Q107 WeakPolarHBondContact O-CB 3.46Å; Q103-Q107 PolarHBondContact O-N 3.16Å; Q103-F218 HydrophobicContact CB-CE2 4.13Å; Q103-F218 WeakPolarHBondContact O-CE2 3.06Å; Q103-I231 HydrophobicContact CG-CG2 4.23Å; Q103-V232 HydrophobicContact CG-CG2 4.23Å; Q103-V232 VanDerWaalsContact CG-O 3.22Å; Q103-V232 WeakPolarHBondContact CG-O 3.39Å; Q103-Q233 HydrophobicContact CG-CB 4.43Å; Q103-A236 HydrophobicContact CB-CB 4.28Å; Q103-A236 HydrophobicContact CG-CB 3.65Å
104V94.3Very high91.9Very high0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-66.6-39.4179.5177.50000110.8W100 V101 Q107 G108 L141 F151 A159 I163 F218W100-V104 HydrophobicContact CD2-CG2 4.24Å; W100-V104 HydrophobicContact CH2-CG2 4.06Å; W100-V104 HydrophobicContact CZ2-CG2 3.49Å; W100-V104 VanDerWaalsContact CZ2-CG2 3.49Å; W100-V104 WeakPolarHBondContact O-CG2 3.28Å; W100-V104 PolarHBondContact O-N 2.99Å; V101-V104 PolarHBondContact O-N 3.04Å; V104-Q107 PolarHBondContact O-N 3.44Å; V104-G108 PolarHBondContact O-N 2.88Å; V104-L141 HydrophobicContact CG1-CD2 4.02Å; V104-F151 HydrophobicContact CB-CD1 4.45Å; V104-F151 HydrophobicContact CB-CG 4.44Å; V104-F151 HydrophobicContact CG1-CB 4.18Å; V104-F151 HydrophobicContact CG1-CD1 3.69Å; V104-F151 HydrophobicContact CG1-CD2 3.85Å; V104-F151 HydrophobicContact CG1-CE1 4.01Å; V104-F151 HydrophobicContact CG1-CE2 4.18Å; V104-F151 HydrophobicContact CG1-CG 3.62Å; V104-F151 HydrophobicContact CG1-CZ 4.27Å; V104-F151 HydrophobicContact CG2-CB 4.11Å; V104-F151 HydrophobicContact CG2-CD1 3.85Å; V104-F151 HydrophobicContact CG2-CG 4.12Å; V104-A159 HydrophobicContact CB-CB 3.87Å; V104-A159 HydrophobicContact CG1-CB 3.78Å; V104-I163 HydrophobicContact CG1-CG1 3.99Å; V104-F218 HydrophobicContact CG2-CZ 4.07Å
105Y95.2Very high91.6Very high0 Ų024.8 Ų24.80%013%0.132CC..Hα-helixtrans-63.6-46.7177.6-173.8-84000112.5M18 S78 G79 M82 V101 D102 Q107 G108 K109M18-Y105 VanDerWaalsContact CE-OH 3.28Å; M18-Y105 WeakPolarHBondContact CE-OH 3.41Å; S78-Y105 PolarHBondContact O-OH 3.43Å; G79-Y105 WeakPolarHBondContact CA-OH 3.44Å; G79-Y105 PolarHBondContact N-OH 2.99Å; M82-Y105 HydrophobicContact CB-CE2 3.74Å; M82-Y105 HydrophobicContact CE-CE2 4.34Å; M82-Y105 HydrophobicContact CG-CE2 3.86Å; V101-Y105 VanDerWaalsContact O-CB 3.32Å; V101-Y105 WeakPolarHBondContact O-CB 3.43Å; V101-Y105 PolarHBondContact O-N 3.23Å; D102-Y105 PolarHBondContact O-N 2.8Å; Y105-Q107 VanDerWaalsContact C-N 3.34Å; Y105-Q107 PolarHBondContact O-N 2.83Å; Y105-G108 WeakPolarHBondContact O-CA 3.34Å; Y105-G108 PolarHBondContact O-N 3.44Å; Y105-K109 HydrophobicContact CE1-CD 4.26Å; Y105-K109 HydrophobicContact CE1-CG 4.14Å; Y105-K109 PolarHBondContact O-N 2.95Å
106E93Very high91.3Very high0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-62.8-41.1176.2-72.9-56.8142.200111.9R83 D102 G108 K109 D110 Q233 R239 K265R83-E106 IonicContact CZ-OE1 3.63Å; R83-E106 VanDerWaalsContact CZ-OE1 3.24Å; R83-E106 IonicContact NH1-OE1 3.32Å; R83-E106 PolarHBondContact NH1-OE1 3.22Å; R83-E106 IonicContact NH2-OE1 3.77Å; R83-E106 PolarHBondContact NH2-OE1 2.72Å; D102-E106 WeakPolarHBondContact O-CG 3.38Å; D102-E106 PolarHBondContact O-N 3.27Å; E106-G108 VanDerWaalsContact C-N 3.3Å; E106-G108 PolarHBondContact O-N 2.97Å; E106-K109 PolarHBondContact O-N 3.49Å; E106-D110 PolarHBondContact O-N 2.93Å; E106-Q233 HydrophobicContact CB-CB 4.03Å; E106-Q233 HydrophobicContact CB-CG 4.13Å; E106-R239 IonicContact OE1-CZ 2.75Å; E106-R239 IonicContact OE1-NH1 2.76Å; E106-R239 PolarHBondContact OE1-NH1 3.14Å; E106-K265 IonicContact OE2-NZ 3.91Å; E106-K265 PolarHBondContact OE2-NZ 3.44Å
107Q92.4Very high91.1Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-61-40.2173.5175.547.74800111.6Q103 V104 Y105 D110 V111 E137 K140 L141 F218 Q233Q103-Q107 WeakPolarHBondContact O-CB 3.46Å; Q103-Q107 PolarHBondContact O-N 3.16Å; V104-Q107 PolarHBondContact O-N 3.44Å; Y105-Q107 VanDerWaalsContact C-N 3.34Å; Y105-Q107 PolarHBondContact O-N 2.83Å; Q107-D110 PolarHBondContact O-N 3.17Å; Q107-V111 WeakPolarHBondContact O-CG2 3.48Å; Q107-V111 PolarHBondContact O-N 2.93Å; Q107-V111 VanDerWaalsContact O-N 3.14Å; Q107-E137 PolarHBondContact NE2-O 3.23Å; Q107-E137 PolarHBondContact NE2-OE2 3.46Å; Q107-K140 HydrophobicContact CG-CD 4.17Å; Q107-L141 HydrophobicContact CB-CD2 4.42Å; Q107-L141 HydrophobicContact CG-CD2 3.79Å; Q107-L141 HydrophobicContact CG-CG 4.42Å; Q107-F218 HydrophobicContact CB-CD2 3.86Å; Q107-F218 HydrophobicContact CB-CE2 3.66Å; Q107-F218 HydrophobicContact CB-CG 4.42Å; Q107-F218 HydrophobicContact CB-CZ 4.05Å; Q107-F218 HydrophobicContact CG-CD1 4.16Å; Q107-F218 HydrophobicContact CG-CD2 4.04Å; Q107-F218 HydrophobicContact CG-CE1 4.2Å; Q107-F218 HydrophobicContact CG-CE2 4.1Å; Q107-F218 HydrophobicContact CG-CG 4.09Å; Q107-F218 HydrophobicContact CG-CZ 4.18Å; Q107-Q233 HydrophobicContact CB-CG 4.31Å
108G91.1Very high90.9Very high1 Ų116.2 Ų16.21%0.018%0.08CC..Hα-helixtrans-57.5-46.1171.100000113.5V104 Y105 E106 D110 V111 L112 I163V104-G108 PolarHBondContact O-N 2.88Å; Y105-G108 WeakPolarHBondContact O-CA 3.34Å; Y105-G108 PolarHBondContact O-N 3.44Å; E106-G108 VanDerWaalsContact C-N 3.3Å; E106-G108 PolarHBondContact O-N 2.97Å; G108-D110 VanDerWaalsContact C-N 3.32Å; G108-D110 PolarHBondContact O-N 3.45Å; G108-V111 PolarHBondContact O-N 3.45Å; G108-L112 PolarHBondContact O-N 2.13Å; G108-I163 VanDerWaalsContact CA-CD1 3.41Å
109K90.5Very high90.2Very high17 Ų1716 Ų167%0.0748%0.08CC..Hα-helixtrans-58.5-42.3173.8-95.7-159.766.7165.10111.6Y105 E106 V111 L112 T113 E262 D266Y105-K109 HydrophobicContact CE1-CD 4.26Å; Y105-K109 HydrophobicContact CE1-CG 4.14Å; Y105-K109 PolarHBondContact O-N 2.95Å; E106-K109 PolarHBondContact O-N 3.49Å; K109-V111 PolarHBondContact O-N 3.4Å; K109-L112 PolarHBondContact O-N 3.03Å; K109-T113 WeakPolarHBondContact O-CB 3.25Å; K109-T113 PolarHBondContact O-N 2.72Å; K109-T113 PolarHBondContact O-OG1 3.41Å; K109-E262 WeakPolarHBondContact CD-OE2 3.35Å; K109-E262 IonicContact NZ-OE2 2.86Å; K109-E262 PolarHBondContact NZ-OE2 2.88Å; K109-D266 IonicContact NZ-OD1 3.29Å; K109-D266 PolarHBondContact NZ-OD1 3.42Å; K109-D266 VanDerWaalsContact NZ-OD1 3.08Å
110D88.1Confident89.5Confident33 Ų3324.2 Ų24.218%0.17611%0.111CC..Hα-helixtrans-64.5-39.1-179.1-69.31.4000112.2E106 Q107 G108 T113 K114 Q233 K265E106-D110 PolarHBondContact O-N 2.93Å; Q107-D110 PolarHBondContact O-N 3.17Å; G108-D110 VanDerWaalsContact C-N 3.32Å; G108-D110 PolarHBondContact O-N 3.45Å; D110-T113 PolarHBondContact O-N 3.5Å; D110-K114 PolarHBondContact O-N 3.11Å; D110-K114 VanDerWaalsContact O-N 3.13Å; D110-Q233 PolarHBondContact OD2-NE2 3.21Å; D110-Q233 PolarHBondContact OD2-OE1 2.95Å; D110-K265 WeakPolarHBondContact OD1-CE 3.26Å; D110-K265 IonicContact OD1-NZ 2.94Å; D110-K265 PolarHBondContact OD1-NZ 2.83Å
111V89.6Confident88.7Confident0 Ų029.2 Ų29.20%013%0.13CC..Hα-helixtrans-62.5-46.7172.5-163.20000110.9Q107 G108 K109 T113 K114 L115 L134 E137 L138 L166Q107-V111 WeakPolarHBondContact O-CG2 3.48Å; Q107-V111 PolarHBondContact O-N 2.93Å; Q107-V111 VanDerWaalsContact O-N 3.14Å; G108-V111 PolarHBondContact O-N 3.45Å; K109-V111 PolarHBondContact O-N 3.4Å; V111-T113 VanDerWaalsContact C-N 3.3Å; V111-T113 PolarHBondContact O-N 2.02Å; V111-K114 WeakPolarHBondContact O-CB 3.42Å; V111-K114 PolarHBondContact O-N 2.89Å; V111-L115 VanDerWaalsContact O-CB 3.32Å; V111-L115 WeakPolarHBondContact O-CB 3.29Å; V111-L115 PolarHBondContact O-N 3.44Å; V111-L134 HydrophobicContact CG1-CD1 4.07Å; V111-E137 HydrophobicContact CB-CB 4.06Å; V111-E137 HydrophobicContact CG1-CB 3.59Å; V111-E137 HydrophobicContact CG1-CG 4.29Å; V111-E137 HydrophobicContact CG2-CB 3.61Å; V111-E137 HydrophobicContact CG2-CG 4.47Å; V111-L138 HydrophobicContact CG1-CD2 4.01Å; V111-L166 HydrophobicContact CB-CD1 4.25Å; V111-L166 HydrophobicContact CB-CD2 3.7Å; V111-L166 HydrophobicContact CG1-CD1 4.19Å; V111-L166 HydrophobicContact CG1-CD2 4.08Å; V111-L166 HydrophobicContact CG2-CD2 3.96Å
112L88Confident88.2Confident17 Ų1731.3 Ų31.39%0.08914%0.14CC..Hα-helixtrans-65.1-35.3-178.2-174.756.4000111.7L15 G108 K109 L115 N116 L166L15-L112 HydrophobicContact CD2-CD2 3.56Å; G108-L112 PolarHBondContact O-N 2.13Å; K109-L112 PolarHBondContact O-N 3.03Å; L112-L115 HydrophobicContact CD1-CD2 4.33Å; L112-L115 PolarHBondContact O-N 2.78Å; L112-N116 WeakPolarHBondContact O-CB 3.49Å; L112-N116 VanDerWaalsContact O-CG 3.25Å; L112-N116 PolarHBondContact O-N 2.93Å; L112-N116 PolarHBondContact O-ND2 3.38Å; L112-L166 HydrophobicContact CB-CD1 4.1Å; L112-L166 HydrophobicContact CD1-CD1 4.14Å
113T87.5Confident87.6Confident44 Ų4437.2 Ų37.227%0.2716%0.163SC..Hα-helixtrans-62.9-50.3173.5-65.60000111.2K109 D110 V111 L115 N116 Q117 T269K109-T113 WeakPolarHBondContact O-CB 3.25Å; K109-T113 PolarHBondContact O-N 2.72Å; K109-T113 PolarHBondContact O-OG1 3.41Å; D110-T113 PolarHBondContact O-N 3.5Å; V111-T113 VanDerWaalsContact C-N 3.3Å; V111-T113 PolarHBondContact O-N 2.02Å; T113-L115 VanDerWaalsContact C-N 3.34Å; T113-L115 PolarHBondContact O-N 2.76Å; T113-N116 PolarHBondContact O-N 3.43Å; T113-Q117 PolarHBondContact O-N 3Å; T113-T269 HydrophobicContact CG2-CG2 3.58Å
114K87.8Confident87.3Confident29 Ų2943.7 Ų43.713%0.12619%0.193CC..Hα-helixtrans-54.8-48.4172.7-83.7178.3150.8-169.10111.7D110 V111 Q117 M118 F129 V133 E137 F181D110-K114 PolarHBondContact O-N 3.11Å; D110-K114 VanDerWaalsContact O-N 3.13Å; V111-K114 WeakPolarHBondContact O-CB 3.42Å; V111-K114 PolarHBondContact O-N 2.89Å; K114-Q117 PolarHBondContact O-N 3.45Å; K114-M118 PolarHBondContact O-N 2.75Å; K114-M118 VanDerWaalsContact O-N 3.17Å; K114-F129 VanDerWaalsContact C-CZ 3.45Å; K114-F129 HydrophobicContact CB-CE2 3.96Å; K114-F129 HydrophobicContact CB-CZ 3.9Å; K114-F129 WeakPolarHBondContact O-CE2 3.16Å; K114-F129 VanDerWaalsContact O-CZ 3.32Å; K114-F129 WeakPolarHBondContact O-CZ 3.37Å; K114-V133 HydrophobicContact CD-CG1 3.95Å; K114-V133 VanDerWaalsContact CE-CG1 3.47Å; K114-V133 HydrophobicContact CG-CG1 4.41Å; K114-V133 PolarHBondContact NZ-O 3.16Å; K114-E137 HydrophobicContact CD-CG 3.73Å; K114-E137 IonicContact NZ-OE1 2.69Å; K114-E137 PolarHBondContact NZ-OE1 3.34Å; K114-F181 PolarHBondContact NZ-O 2.78Å
115L85.5Confident87.1Confident0 Ų047.9 Ų47.90%021%0.212CC..Hα-helixtrans-61.5-46-177.2-177.265.9000111.4V111 L112 T113 Q117 M118 I119 F129 L134 L166 Q169 I170 L173V111-L115 VanDerWaalsContact O-CB 3.32Å; V111-L115 WeakPolarHBondContact O-CB 3.29Å; V111-L115 PolarHBondContact O-N 3.44Å; L112-L115 HydrophobicContact CD1-CD2 4.33Å; L112-L115 PolarHBondContact O-N 2.78Å; T113-L115 VanDerWaalsContact C-N 3.34Å; T113-L115 PolarHBondContact O-N 2.76Å; L115-Q117 PolarHBondContact O-N 2.92Å; L115-M118 HydrophobicContact CD1-CE 3.9Å; L115-M118 PolarHBondContact O-N 2.94Å; L115-I119 HydrophobicContact CD1-CD1 4.26Å; L115-I119 HydrophobicContact CG-CD1 3.83Å; L115-I119 VanDerWaalsContact O-CG1 3.25Å; L115-I119 WeakPolarHBondContact O-CG1 3.27Å; L115-I119 PolarHBondContact O-N 3.1Å; L115-F129 HydrophobicContact CB-CZ 4.49Å; L115-F129 HydrophobicContact CD1-CE1 3.92Å; L115-L134 HydrophobicContact CD1-CD1 4.26Å; L115-L166 HydrophobicContact CD2-CD1 4.01Å; L115-Q169 HydrophobicContact CD2-CB 4.39Å; L115-I170 HydrophobicContact CD1-CG1 4.37Å; L115-I170 HydrophobicContact CD2-CD1 4.4Å; L115-I170 HydrophobicContact CD2-CG1 3.73Å; L115-L173 HydrophobicContact CD1-CD1 4.1Å
116N83.1Confident86.7Confident48 Ų4849.8 Ų49.826%0.25722%0.22SC..Hα-helixtrans-64.9-35.9176.7-75.3-36.2000112.8L112 T113 I119 Y120L112-N116 WeakPolarHBondContact O-CB 3.49Å; L112-N116 VanDerWaalsContact O-CG 3.25Å; L112-N116 PolarHBondContact O-N 2.93Å; L112-N116 PolarHBondContact O-ND2 3.38Å; T113-N116 PolarHBondContact O-N 3.43Å; N116-I119 PolarHBondContact O-N 2.95Å; N116-Y120 HydrophobicContact CB-CD2 4.07Å; N116-Y120 HydrophobicContact CB-CE2 4.26Å; N116-Y120 WeakPolarHBondContact O-CB 3.32Å; N116-Y120 VanDerWaalsContact O-CD2 3.23Å; N116-Y120 WeakPolarHBondContact O-CD2 3.36Å; N116-Y120 PolarHBondContact O-N 2.95Å; N116-Y120 WeakPolarHBondContact OD1-CE2 3.24Å
117Q84.7Confident86.4Confident48 Ų4854.4 Ų54.422%0.22425%0.245CC..Hα-helixtrans-61-47.3174.5176.6169.4-14.300111.3T113 K114 L115 R121 E122 N273T113-Q117 PolarHBondContact O-N 3Å; K114-Q117 PolarHBondContact O-N 3.45Å; L115-Q117 PolarHBondContact O-N 2.92Å; Q117-R121 WeakPolarHBondContact O-CB 3.49Å; Q117-R121 PolarHBondContact O-N 2.77Å; Q117-E122 WeakPolarHBondContact CG-OE1 3.37Å; Q117-E122 PolarHBondContact NE2-OE1 3.45Å; Q117-E122 PolarHBondContact O-N 3.16Å; Q117-N273 PolarHBondContact NE2-OD1 3.32Å; Q117-N273 PolarHBondContact OE1-OD1 3.3Å
118M87.5Confident86.3Confident5 Ų560 Ų603%0.02527%0.271CS..Hα-helixtrans-60.1-49.3173.2177.8-81.3-6300111.6K114 L115 Y120 E122 Y123 K126 F129K114-M118 PolarHBondContact O-N 2.75Å; K114-M118 VanDerWaalsContact O-N 3.17Å; L115-M118 HydrophobicContact CD1-CE 3.9Å; L115-M118 PolarHBondContact O-N 2.94Å; M118-Y120 PolarHBondContact O-N 2.85Å; M118-E122 CarbonylContact O-C 3.55Å; M118-E122 PolarHBondContact O-N 2.77Å; M118-Y123 VanDerWaalsContact O-CA 3.31Å; M118-Y123 WeakPolarHBondContact O-CA 3.14Å; M118-Y123 PolarHBondContact O-N 3.4Å; M118-Y123 HydrophobicContact SD-CD2 4.37Å; M118-K126 HydrophobicContact CG-CB 4.45Å; M118-K126 HydrophobicContact SD-CB 3.72Å; M118-K126 HydrophobicContact SD-CG 4.03Å; M118-F129 HydrophobicContact CB-CB 4.37Å; M118-F129 HydrophobicContact CB-CD1 3.72Å; M118-F129 HydrophobicContact CB-CD2 3.89Å; M118-F129 HydrophobicContact CB-CE1 3.84Å; M118-F129 HydrophobicContact CB-CE2 4.07Å; M118-F129 HydrophobicContact CB-CG 3.75Å; M118-F129 HydrophobicContact CB-CZ 4.07Å; M118-F129 HydrophobicContact CE-CD1 3.69Å; M118-F129 HydrophobicContact CE-CE1 3.83Å; M118-F129 HydrophobicContact CG-CB 3.82Å; M118-F129 HydrophobicContact CG-CD1 3.61Å; M118-F129 HydrophobicContact CG-CD2 4.29Å; M118-F129 HydrophobicContact CG-CE1 4.19Å; M118-F129 HydrophobicContact CG-CG 3.67Å; M118-F129 HydrophobicContact SD-CD1 4.42Å
119I80Confident86.2Confident39 Ų3960.9 Ų60.920%0.227%0.274CS..Hα-helixtrans-59.7-46.6-176.7-67.4162.6000112.4L115 N116 L173L115-I119 HydrophobicContact CD1-CD1 4.26Å; L115-I119 HydrophobicContact CG-CD1 3.83Å; L115-I119 VanDerWaalsContact O-CG1 3.25Å; L115-I119 WeakPolarHBondContact O-CG1 3.27Å; L115-I119 PolarHBondContact O-N 3.1Å; N116-I119 PolarHBondContact O-N 2.95Å; I119-L173 HydrophobicContact CD1-CD1 3.58Å; I119-L173 HydrophobicContact CG1-CD1 3.89Å
120Y78Confident86Confident178 Ų17861.5 Ų61.570%0.69828%0.278SS*.Hα-helixtrans-103-6.8-166.7-62.4-67.3000115N116 M118N116-Y120 HydrophobicContact CB-CD2 4.07Å; N116-Y120 HydrophobicContact CB-CE2 4.26Å; N116-Y120 WeakPolarHBondContact O-CB 3.32Å; N116-Y120 VanDerWaalsContact O-CD2 3.23Å; N116-Y120 WeakPolarHBondContact O-CD2 3.36Å; N116-Y120 PolarHBondContact O-N 2.95Å; N116-Y120 WeakPolarHBondContact OD1-CE2 3.24Å; M118-Y120 PolarHBondContact O-N 2.85Å
121R78.7Confident85.9Confident152 Ų15265.6 Ų65.657%0.57430%0.295SS*.Hα-helixtrans-134.8-32.7-177.6-61.6-179.1166.6-136.3-6.2115.1Q117 N273 E278Q117-R121 WeakPolarHBondContact O-CB 3.49Å; Q117-R121 PolarHBondContact O-N 2.77Å; R121-N273 PolarHBondContact NH1-ND2 3.26Å; R121-E278 IonicContact NH1-OE2 3.62Å; R121-E278 PolarHBondContact NH1-OE2 3.37Å
122E86.2Confident85.8Confident44 Ų4468.9 Ų68.921%0.20632%0.315CS..  trans-133.441.6-167.6-62.8175.2-122.400110.9Q117 M118 E124 K125Q117-E122 WeakPolarHBondContact CG-OE1 3.37Å; Q117-E122 PolarHBondContact NE2-OE1 3.45Å; Q117-E122 PolarHBondContact O-N 3.16Å; M118-E122 CarbonylContact O-C 3.55Å; M118-E122 PolarHBondContact O-N 2.77Å; E122-E124 VanDerWaalsContact C-OE2 3.24Å; E122-E124 WeakPolarHBondContact CA-OE1 3.29Å; E122-E124 WeakPolarHBondContact CA-OE2 3.43Å; E122-E124 PolarHBondContact O-N 3.15Å; E122-K125 HydrophobicContact CB-CB 4.49Å; E122-K125 HydrophobicContact CB-CD 4.22Å; E122-K125 HydrophobicContact CB-CG 4.42Å; E122-K125 WeakPolarHBondContact O-CA 3.41Å; E122-K125 WeakPolarHBondContact O-CB 3.37Å; E122-K125 PolarHBondContact O-N 3.33Å; E122-K125 WeakPolarHBondContact OE2-CD 3.39Å; E122-K125 WeakPolarHBondContact OE2-CE 3.4Å; E122-K125 IonicContact OE2-NZ 2.77Å; E122-K125 PolarHBondContact OE2-NZ 3.18Å
123Y83.1Confident85.8Confident123 Ų12370.7 Ų70.748%0.48233%0.326SS..G310 helixtrans-65.7-26.9-173.2-164.3-84.4000112.1M118 K125 K126M118-Y123 VanDerWaalsContact O-CA 3.31Å; M118-Y123 WeakPolarHBondContact O-CA 3.14Å; M118-Y123 PolarHBondContact O-N 3.4Å; M118-Y123 HydrophobicContact SD-CD2 4.37Å; Y123-K125 PolarHBondContact O-N 3.23Å; Y123-K126 HydrophobicContact CE1-CD 4.08Å; Y123-K126 HydrophobicContact CE2-CD 4.27Å; Y123-K126 WeakPolarHBondContact O-CB 3.49Å; Y123-K126 PolarHBondContact O-N 3.13Å
124E88.5Confident85.7Confident139 Ų13968.7 Ų68.765%0.6531%0.314SS*.G310 helixtrans-61.3-26.3170.774.2-64.615700112.7E122E122-E124 VanDerWaalsContact C-OE2 3.24Å; E122-E124 WeakPolarHBondContact CA-OE1 3.29Å; E122-E124 WeakPolarHBondContact CA-OE2 3.43Å; E122-E124 PolarHBondContact O-N 3.15Å
125K89.9Confident85.5Confident89 Ų8967.3 Ų67.339%0.38731%0.308SS..G310 helixtrans-89.65.3173.2-53.4-177-161.4170.20113.4E122 Y123 D127 E128 F129E122-K125 HydrophobicContact CB-CB 4.49Å; E122-K125 HydrophobicContact CB-CD 4.22Å; E122-K125 HydrophobicContact CB-CG 4.42Å; E122-K125 WeakPolarHBondContact O-CA 3.41Å; E122-K125 WeakPolarHBondContact O-CB 3.37Å; E122-K125 PolarHBondContact O-N 3.33Å; E122-K125 WeakPolarHBondContact OE2-CD 3.39Å; E122-K125 WeakPolarHBondContact OE2-CE 3.4Å; E122-K125 IonicContact OE2-NZ 2.77Å; E122-K125 PolarHBondContact OE2-NZ 3.18Å; Y123-K125 PolarHBondContact O-N 3.23Å; K125-D127 PolarHBondContact O-N 3.39Å; K125-D127 VanDerWaalsContact O-N 3.1Å; K125-E128 PolarHBondContact O-N 2.61Å; K125-F129 WeakPolarHBondContact O-CB 3.45Å; K125-F129 PolarHBondContact O-N 2.74Å
126K86.7Confident85.5Confident40 Ų4070.1 Ų70.117%0.17432%0.321CS..Hα-helixtrans-43.5-49.2176.8171.2173.5178.3-178.60111.1M118 Y123 E128 F129 I130 L173M118-K126 HydrophobicContact CG-CB 4.45Å; M118-K126 HydrophobicContact SD-CB 3.72Å; M118-K126 HydrophobicContact SD-CG 4.03Å; Y123-K126 HydrophobicContact CE1-CD 4.08Å; Y123-K126 HydrophobicContact CE2-CD 4.27Å; Y123-K126 WeakPolarHBondContact O-CB 3.49Å; Y123-K126 PolarHBondContact O-N 3.13Å; K126-E128 VanDerWaalsContact C-N 3.33Å; K126-E128 PolarHBondContact O-N 3.05Å; K126-F129 PolarHBondContact O-N 2.91Å; K126-I130 HydrophobicContact CD-CD1 4.26Å; K126-I130 HydrophobicContact CG-CD1 3.5Å; K126-I130 HydrophobicContact CG-CG1 4.36Å; K126-I130 WeakPolarHBondContact O-CB 3.32Å; K126-I130 VanDerWaalsContact O-CD1 3.22Å; K126-I130 WeakPolarHBondContact O-CD1 3.44Å; K126-I130 WeakPolarHBondContact O-CG1 3.41Å; K126-I130 PolarHBondContact O-N 3.26Å; K126-L173 PolarHBondContact NZ-O 2.7Å
127D87.5Confident85.7Confident97 Ų9767.9 Ų67.952%0.51931%0.309SS..Hα-helixtrans-69.5-22.9-177.1-110.855.6000115.1K125 K131K125-D127 PolarHBondContact O-N 3.39Å; K125-D127 VanDerWaalsContact O-N 3.1Å; D127-K131 VanDerWaalsContact O-CD 3.23Å; D127-K131 WeakPolarHBondContact O-CD 3.41Å; D127-K131 WeakPolarHBondContact O-CE 3.31Å; D127-K131 VanDerWaalsContact O-CG 3.28Å; D127-K131 WeakPolarHBondContact O-CG 3.48Å; D127-K131 PolarHBondContact O-NZ 3.42Å; D127-K131 IonicContact OD2-NZ 3.6Å; D127-K131 PolarHBondContact OD2-NZ 3.18Å
128E90.9Very high85.7Confident118 Ų11866.2 Ų66.255%0.55130%0.302SS*.Hα-helixtrans-82.7-49.8171.1-176-174.1164.500109.6K125 K126 I130 K131 T132K125-E128 PolarHBondContact O-N 2.61Å; K126-E128 VanDerWaalsContact C-N 3.33Å; K126-E128 PolarHBondContact O-N 3.05Å; E128-I130 PolarHBondContact O-N 3.02Å; E128-I130 VanDerWaalsContact O-N 3.14Å; E128-K131 CarbonylContact O-C 3.56Å; E128-K131 WeakPolarHBondContact O-CA 3.46Å; E128-K131 PolarHBondContact O-N 3.34Å; E128-T132 PolarHBondContact O-N 3.39Å; E128-T132 VanDerWaalsContact O-N 3.08Å; E128-T132 PolarHBondContact O-OG1 3.45Å
129F89.4Confident85.6Confident19 Ų1966.1 Ų66.18%0.08330%0.301CS..Hα-helixtrans-53.6-35.2177.5-176.1-99.6000112.6K114 L115 M118 K125 K126 K131 V133 L134 P135K114-F129 VanDerWaalsContact C-CZ 3.45Å; K114-F129 HydrophobicContact CB-CE2 3.96Å; K114-F129 HydrophobicContact CB-CZ 3.9Å; K114-F129 WeakPolarHBondContact O-CE2 3.16Å; K114-F129 VanDerWaalsContact O-CZ 3.32Å; K114-F129 WeakPolarHBondContact O-CZ 3.37Å; L115-F129 HydrophobicContact CB-CZ 4.49Å; L115-F129 HydrophobicContact CD1-CE1 3.92Å; M118-F129 HydrophobicContact CB-CB 4.37Å; M118-F129 HydrophobicContact CB-CD1 3.72Å; M118-F129 HydrophobicContact CB-CD2 3.89Å; M118-F129 HydrophobicContact CB-CE1 3.84Å; M118-F129 HydrophobicContact CB-CE2 4.07Å; M118-F129 HydrophobicContact CB-CG 3.75Å; M118-F129 HydrophobicContact CB-CZ 4.07Å; M118-F129 HydrophobicContact CE-CD1 3.69Å; M118-F129 HydrophobicContact CE-CE1 3.83Å; M118-F129 HydrophobicContact CG-CB 3.82Å; M118-F129 HydrophobicContact CG-CD1 3.61Å; M118-F129 HydrophobicContact CG-CD2 4.29Å; M118-F129 HydrophobicContact CG-CE1 4.19Å; M118-F129 HydrophobicContact CG-CG 3.67Å; M118-F129 HydrophobicContact SD-CD1 4.42Å; K125-F129 WeakPolarHBondContact O-CB 3.45Å; K125-F129 PolarHBondContact O-N 2.74Å; K126-F129 PolarHBondContact O-N 2.91Å; F129-K131 VanDerWaalsContact C-N 3.32Å; F129-K131 PolarHBondContact O-N 3.46Å; F129-V133 HydrophobicContact CD2-CB 3.62Å; F129-V133 HydrophobicContact CD2-CG1 3.74Å; F129-V133 HydrophobicContact CE2-CB 3.94Å; F129-V133 HydrophobicContact CE2-CG1 3.59Å; F129-V133 HydrophobicContact CG-CB 4.42Å; F129-V133 PolarHBondContact O-N 2.94Å; F129-L134 HydrophobicContact CD1-CB 3.7Å; F129-L134 HydrophobicContact CE1-CB 3.43Å; F129-L134 VanDerWaalsContact CE1-CB 3.43Å; F129-L134 HydrophobicContact CE1-CD1 4.23Å; F129-L134 HydrophobicContact CE1-CD2 4.31Å; F129-L134 HydrophobicContact CE1-CG 4.19Å; F129-L134 HydrophobicContact CG-CB 4.39Å; F129-L134 HydrophobicContact CZ-CB 3.86Å; F129-L134 WeakPolarHBondContact O-CB 3.43Å; F129-L134 PolarHBondContact O-N 2.55Å; F129-L134 VanDerWaalsContact O-N 3.09Å; F129-P135 VanDerWaalsContact O-CD 3.24Å; F129-P135 WeakPolarHBondContact O-CD 3.37Å; F129-P135 WeakPolarHBondContact O-CG 3.28Å
130I84.9Confident85.9Confident30 Ų3064.3 Ų64.315%0.15429%0.292CS..Hα-helixtrans-66.5-24173.2-77.6164.6000114.8K126 E128 P135 T174K126-I130 HydrophobicContact CD-CD1 4.26Å; K126-I130 HydrophobicContact CG-CD1 3.5Å; K126-I130 HydrophobicContact CG-CG1 4.36Å; K126-I130 WeakPolarHBondContact O-CB 3.32Å; K126-I130 VanDerWaalsContact O-CD1 3.22Å; K126-I130 WeakPolarHBondContact O-CD1 3.44Å; K126-I130 WeakPolarHBondContact O-CG1 3.41Å; K126-I130 PolarHBondContact O-N 3.26Å; E128-I130 PolarHBondContact O-N 3.02Å; E128-I130 VanDerWaalsContact O-N 3.14Å; I130-P135 WeakPolarHBondContact O-CG 3.43Å; I130-T174 HydrophobicContact CD1-CG2 3.19Å; I130-T174 HydrophobicContact CG1-CG2 3.51Å
131K85.5Confident86.3Confident119 Ų11956 Ų5652%0.51726%0.26SS..Hα-helixtrans-108.7-7.6-173.5-60.2175.8-170.3111.90112.5D127 E128 F129D127-K131 VanDerWaalsContact O-CD 3.23Å; D127-K131 WeakPolarHBondContact O-CD 3.41Å; D127-K131 WeakPolarHBondContact O-CE 3.31Å; D127-K131 VanDerWaalsContact O-CG 3.28Å; D127-K131 WeakPolarHBondContact O-CG 3.48Å; D127-K131 PolarHBondContact O-NZ 3.42Å; D127-K131 IonicContact OD2-NZ 3.6Å; D127-K131 PolarHBondContact OD2-NZ 3.18Å; E128-K131 CarbonylContact O-C 3.56Å; E128-K131 WeakPolarHBondContact O-CA 3.46Å; E128-K131 PolarHBondContact O-N 3.34Å; F129-K131 VanDerWaalsContact C-N 3.32Å; F129-K131 PolarHBondContact O-N 3.46Å
132T88.8Confident86.7Confident69 Ų6952.5 Ų52.542%0.42325%0.25SS..Hα-helixtrans-145.5-40.3-171.562.50000117.3E128 P135E128-T132 PolarHBondContact O-N 3.39Å; E128-T132 VanDerWaalsContact O-N 3.08Å; E128-T132 PolarHBondContact O-OG1 3.45Å; T132-P135 VanDerWaalsContact C-CD 3.43Å
133V87.4Confident86.7Confident55 Ų5556 Ų5633%0.33327%0.265SS..THydrogen-bonded Turntrans-111.2-54.5-165.9179.30000117.1K114 F129 P135K114-V133 HydrophobicContact CD-CG1 3.95Å; K114-V133 VanDerWaalsContact CE-CG1 3.47Å; K114-V133 HydrophobicContact CG-CG1 4.41Å; K114-V133 PolarHBondContact NZ-O 3.16Å; F129-V133 HydrophobicContact CD2-CB 3.62Å; F129-V133 HydrophobicContact CD2-CG1 3.74Å; F129-V133 HydrophobicContact CE2-CB 3.94Å; F129-V133 HydrophobicContact CE2-CG1 3.59Å; F129-V133 HydrophobicContact CG-CB 4.42Å; F129-V133 PolarHBondContact O-N 2.94Å; V133-P135 VanDerWaalsContact C-N 3.3Å
134L84.9Confident86.9Confident1 Ų152 Ų521%0.00525%0.25CS..SBendtrans-40.9-53.9157.7177.955.6000113.7V111 L115 F129 E136 E137 L138 I170V111-L134 HydrophobicContact CG1-CD1 4.07Å; L115-L134 HydrophobicContact CD1-CD1 4.26Å; F129-L134 HydrophobicContact CD1-CB 3.7Å; F129-L134 HydrophobicContact CE1-CB 3.43Å; F129-L134 VanDerWaalsContact CE1-CB 3.43Å; F129-L134 HydrophobicContact CE1-CD1 4.23Å; F129-L134 HydrophobicContact CE1-CD2 4.31Å; F129-L134 HydrophobicContact CE1-CG 4.19Å; F129-L134 HydrophobicContact CG-CB 4.39Å; F129-L134 HydrophobicContact CZ-CB 3.86Å; F129-L134 WeakPolarHBondContact O-CB 3.43Å; F129-L134 PolarHBondContact O-N 2.55Å; F129-L134 VanDerWaalsContact O-N 3.09Å; L134-E136 PolarHBondContact O-N 2.93Å; L134-E137 WeakPolarHBondContact O-CB 3.23Å; L134-E137 WeakPolarHBondContact O-CG 3.41Å; L134-E137 PolarHBondContact O-N 3.37Å; L134-L138 HydrophobicContact CD1-CD1 4.33Å; L134-I170 HydrophobicContact CD1-CD1 3.93Å; L134-I170 HydrophobicContact CD1-CG1 4.1Å; L134-I170 HydrophobicContact CD2-CG2 4.15Å
135P84.9Confident86.9Confident0 Ų047.3 Ų47.30%023%0.229CC..G310 helix-66.5-57.4-129.9-35.547.4000114F129 I130 T132 V133 L138 S177 L178 D179F129-P135 VanDerWaalsContact O-CD 3.24Å; F129-P135 WeakPolarHBondContact O-CD 3.37Å; F129-P135 WeakPolarHBondContact O-CG 3.28Å; I130-P135 WeakPolarHBondContact O-CG 3.43Å; T132-P135 VanDerWaalsContact C-CD 3.43Å; V133-P135 VanDerWaalsContact C-N 3.3Å; P135-L138 VanDerWaalsContact O-CB 3.24Å; P135-L138 WeakPolarHBondContact O-CB 3.37Å; P135-L138 WeakPolarHBondContact O-CD1 3.46Å; P135-L138 VanDerWaalsContact O-CG 3.27Å; P135-L138 WeakPolarHBondContact O-CG 3.26Å; P135-L138 PolarHBondContact O-N 2.85Å; P135-S177 CarbonylContact C-O 3.44Å; P135-S177 VanDerWaalsContact CB-C 3.45Å; P135-S177 VanDerWaalsContact O-O 3.09Å; P135-L178 WeakPolarHBondContact O-CA 3.45Å; P135-D179 VanDerWaalsContact C-N 3.32Å; P135-D179 CarbonylContact C-O 3.59Å; P135-D179 HydrophobicContact CB-CB 4.05Å; P135-D179 VanDerWaalsContact CB-OD2 3.28Å; P135-D179 WeakPolarHBondContact CB-OD2 3.47Å; P135-D179 VanDerWaalsContact CD-O 3.24Å; P135-D179 WeakPolarHBondContact CD-O 3.39Å
136E85Confident86.5Confident60 Ų6050.2 Ų50.228%0.2824%0.242SC..G310 helixtrans-9412-180-145.6-167.415200113L134 L138 G139 K140 L178 D179 Q180L134-E136 PolarHBondContact O-N 2.93Å; E136-L138 PolarHBondContact O-N 3.34Å; E136-G139 PolarHBondContact O-N 2.82Å; E136-G139 VanDerWaalsContact O-N 3.16Å; E136-K140 WeakPolarHBondContact O-CB 3.21Å; E136-K140 WeakPolarHBondContact O-CG 3.2Å; E136-K140 PolarHBondContact O-N 3.28Å; E136-L178 VanDerWaalsContact CB-C 3.4Å; E136-L178 WeakPolarHBondContact CB-O 3.48Å; E136-L178 WeakPolarHBondContact CG-O 3.48Å; E136-L178 VanDerWaalsContact N-C 3.31Å; E136-D179 PolarHBondContact N-O 2.97Å; E136-Q180 HydrophobicContact CB-CB 3.58Å; E136-Q180 HydrophobicContact CB-CG 3.65Å; E136-Q180 HydrophobicContact CG-CB 4.31Å; E136-Q180 HydrophobicContact CG-CG 4.05Å; E136-Q180 WeakPolarHBondContact O-CG 3.4Å; E136-Q180 PolarHBondContact O-NE2 2.72Å; E136-Q180 VanDerWaalsContact OE1-CD 3.32Å; E136-Q180 PolarHBondContact OE1-NE2 2.92Å; E136-Q180 VanDerWaalsContact OE2-CD 3.26Å; E136-Q180 PolarHBondContact OE2-OE1 3.27Å
137E86.6Confident86.3Confident0 Ų052.6 Ų52.60%028%0.277CS..G310 helixtrans-50.6-20.9147.6-66.1-64.2135.100111.4Q107 V111 K114 L134 K140 F181 P182Q107-E137 PolarHBondContact NE2-O 3.23Å; Q107-E137 PolarHBondContact NE2-OE2 3.46Å; V111-E137 HydrophobicContact CB-CB 4.06Å; V111-E137 HydrophobicContact CG1-CB 3.59Å; V111-E137 HydrophobicContact CG1-CG 4.29Å; V111-E137 HydrophobicContact CG2-CB 3.61Å; V111-E137 HydrophobicContact CG2-CG 4.47Å; K114-E137 HydrophobicContact CD-CG 3.73Å; K114-E137 IonicContact NZ-OE1 2.69Å; K114-E137 PolarHBondContact NZ-OE1 3.34Å; L134-E137 WeakPolarHBondContact O-CB 3.23Å; L134-E137 WeakPolarHBondContact O-CG 3.41Å; L134-E137 PolarHBondContact O-N 3.37Å; E137-K140 VanDerWaalsContact CD-NZ 3.34Å; E137-K140 IonicContact OE1-NZ 3.46Å; E137-K140 PolarHBondContact OE1-NZ 3.39Å; E137-K140 IonicContact OE2-NZ 3.38Å; E137-K140 PolarHBondContact OE2-NZ 3.01Å; E137-F181 WeakPolarHBondContact OE1-CA 3.36Å; E137-F181 PolarHBondContact OE1-N 3.02Å; E137-F181 VanDerWaalsContact OE1-N 3.14Å; E137-P182 WeakPolarHBondContact OE1-CD 3.47Å
138L85.7Confident86.3Confident14 Ų1453.3 Ų53.37%0.07328%0.276CS..THydrogen-bonded Turntrans-92.9-34.2175.4-49.1169000113.7V111 L134 P135 E136 L141 E142 L166 L167 I170 L178V111-L138 HydrophobicContact CG1-CD2 4.01Å; L134-L138 HydrophobicContact CD1-CD1 4.33Å; P135-L138 VanDerWaalsContact O-CB 3.24Å; P135-L138 WeakPolarHBondContact O-CB 3.37Å; P135-L138 WeakPolarHBondContact O-CD1 3.46Å; P135-L138 VanDerWaalsContact O-CG 3.27Å; P135-L138 WeakPolarHBondContact O-CG 3.26Å; P135-L138 PolarHBondContact O-N 2.85Å; E136-L138 PolarHBondContact O-N 3.34Å; L138-L141 HydrophobicContact CD2-CD1 4.42Å; L138-L141 CarbonylContact O-C 3.56Å; L138-L141 VanDerWaalsContact O-CA 3.29Å; L138-L141 WeakPolarHBondContact O-CA 3.36Å; L138-L141 WeakPolarHBondContact O-CB 3.45Å; L138-L141 PolarHBondContact O-N 2.8Å; L138-E142 PolarHBondContact O-N 2.77Å; L138-L166 HydrophobicContact CD2-CD2 4.32Å; L138-L167 HydrophobicContact CD1-CD2 4.43Å; L138-L167 HydrophobicContact CD2-CD2 4.04Å; L138-I170 HydrophobicContact CD1-CD1 3.78Å; L138-I170 HydrophobicContact CD1-CG2 4.12Å; L138-I170 HydrophobicContact CD2-CD1 3.65Å; L138-I170 HydrophobicContact CG-CD1 4.28Å; L138-L178 HydrophobicContact CB-CD2 3.86Å
139G85.1Confident86.1Confident2 Ų255.2 Ų55.22%0.02129%0.285CS..Hα-helixtrans-82.1-14.7171.900000114.2E136 L141 E142 K143E136-G139 PolarHBondContact O-N 2.82Å; E136-G139 VanDerWaalsContact O-N 3.16Å; G139-L141 PolarHBondContact O-N 3.49Å; G139-E142 PolarHBondContact O-N 2.67Å; G139-K143 WeakPolarHBondContact O-CB 3.45Å; G139-K143 PolarHBondContact O-N 3.38Å
140K85.4Confident86.2Confident1 Ų156 Ų560%0.00429%0.288CS..Hα-helixtrans-48.4-43.3152.6-89.3-177.9-179.5177.10109.5Q107 E136 E137 H144 Q180 F181 F218 Q220Q107-K140 HydrophobicContact CG-CD 4.17Å; E136-K140 WeakPolarHBondContact O-CB 3.21Å; E136-K140 WeakPolarHBondContact O-CG 3.2Å; E136-K140 PolarHBondContact O-N 3.28Å; E137-K140 VanDerWaalsContact CD-NZ 3.34Å; E137-K140 IonicContact OE1-NZ 3.46Å; E137-K140 PolarHBondContact OE1-NZ 3.39Å; E137-K140 IonicContact OE2-NZ 3.38Å; E137-K140 PolarHBondContact OE2-NZ 3.01Å; K140-H144 PolarHBondContact O-CD2 2.76Å; K140-H144 VanDerWaalsContact O-CD2 3.23Å; K140-Q180 HydrophobicContact CG-CG 4.06Å; K140-Q180 VanDerWaalsContact N-NE2 3.1Å; K140-F181 HydrophobicContact CD-CD1 4.32Å; K140-F181 HydrophobicContact CD-CE1 4.45Å; K140-F181 HydrophobicContact CG-CD1 4.16Å; K140-F181 HydrophobicContact CG-CE1 3.86Å; K140-F218 HydrophobicContact CB-CD1 3.96Å; K140-F218 HydrophobicContact CD-CB 4Å; K140-F218 VanDerWaalsContact CE-O 3.32Å; K140-F218 WeakPolarHBondContact CE-O 3.45Å; K140-F218 HydrophobicContact CG-CB 4.26Å; K140-F218 HydrophobicContact CG-CD1 4.4Å; K140-Q220 VanDerWaalsContact CE-OE1 3.24Å
141L87.1Confident86.5Confident5 Ų555.1 Ų55.13%0.02628%0.283CS..Hα-helixtrans-80.2-42.2177.5-52.8167.2000110.6V104 Q107 L138 G139 K143 H144 I145 F151 I163 F218V104-L141 HydrophobicContact CG1-CD2 4.02Å; Q107-L141 HydrophobicContact CB-CD2 4.42Å; Q107-L141 HydrophobicContact CG-CD2 3.79Å; Q107-L141 HydrophobicContact CG-CG 4.42Å; L138-L141 HydrophobicContact CD2-CD1 4.42Å; L138-L141 CarbonylContact O-C 3.56Å; L138-L141 VanDerWaalsContact O-CA 3.29Å; L138-L141 WeakPolarHBondContact O-CA 3.36Å; L138-L141 WeakPolarHBondContact O-CB 3.45Å; L138-L141 PolarHBondContact O-N 2.8Å; G139-L141 PolarHBondContact O-N 3.49Å; L141-K143 VanDerWaalsContact C-N 3.29Å; L141-K143 PolarHBondContact O-N 3.36Å; L141-H144 PolarHBondContact O-N 3.12Å; L141-I145 WeakPolarHBondContact O-CG2 3.49Å; L141-I145 PolarHBondContact O-N 3.25Å; L141-F151 HydrophobicContact CB-CE1 3.8Å; L141-F151 HydrophobicContact CB-CZ 3.78Å; L141-F151 HydrophobicContact CD2-CE1 4.12Å; L141-F151 HydrophobicContact CD2-CZ 4.29Å; L141-F151 HydrophobicContact CG-CZ 4.5Å; L141-I163 HydrophobicContact CD1-CD1 3.6Å; L141-I163 HydrophobicContact CD1-CG1 4.17Å; L141-I163 HydrophobicContact CD1-CG2 4.01Å; L141-I163 HydrophobicContact CD2-CD1 4.28Å; L141-F218 HydrophobicContact CD2-CE1 4.2Å; L141-F218 HydrophobicContact CD2-CZ 4.43Å
142E86.4Confident86.9Confident78 Ų7849.7 Ų49.736%0.36426%0.261SS..Hα-helixtrans-50.1-48.5174.9-162.4-165.4136.800111L138 G139 H144 I145 K146L138-E142 PolarHBondContact O-N 2.77Å; G139-E142 PolarHBondContact O-N 2.67Å; E142-H144 PolarHBondContact O-N 2.89Å; E142-I145 PolarHBondContact O-N 3.1Å; E142-K146 HydrophobicContact CG-CB 4.49Å; E142-K146 WeakPolarHBondContact O-CB 3.17Å; E142-K146 PolarHBondContact O-N 3.18Å; E142-K146 IonicContact OE1-NZ 3.83Å; E142-K146 PolarHBondContact OE1-NZ 3.09Å
143K86.6Confident86.8Confident117 Ų11748.8 Ų48.851%0.50927%0.265SS..Hα-helixtrans-47.3-29.4176.8-176179.4178-1760113.9G139 L141 P214G139-K143 WeakPolarHBondContact O-CB 3.45Å; G139-K143 PolarHBondContact O-N 3.38Å; L141-K143 VanDerWaalsContact C-N 3.29Å; L141-K143 PolarHBondContact O-N 3.36Å; K143-P214 PolarHBondContact NZ-O 3.14Å
144H88.2Confident86.9Confident39 Ų3952.7 Ų52.718%0.18128%0.284CS..Hα-helixtrans-111.4-18.8-178.6-60-77.1000115.7W100 K140 L141 E142 K148 A217 F218W100-H144 HydrophobicContact CH2-CB 4.02Å; W100-H144 AromaticContact CH2-CD2 3.74Å; W100-H144 AromaticContact CH2-CE1 3.92Å; W100-H144 AromaticContact CH2-CG 3.55Å; W100-H144 AromaticContact CH2-ND1 3.69Å; W100-H144 AromaticContact CH2-NE2 3.96Å; W100-H144 HydrophobicContact CZ2-CB 3.6Å; W100-H144 AromaticContact CZ2-CG 3.67Å; W100-H144 AromaticContact CZ2-ND1 3.98Å; K140-H144 PolarHBondContact O-CD2 2.76Å; K140-H144 VanDerWaalsContact O-CD2 3.23Å; L141-H144 PolarHBondContact O-N 3.12Å; E142-H144 PolarHBondContact O-N 2.89Å; H144-K148 WeakPolarHBondContact O-CD 3.45Å; H144-K148 WeakPolarHBondContact O-CE 3.22Å; H144-K148 PolarHBondContact O-NZ 2.92Å; H144-A217 PolarHBondContact NE2-O 3.14Å; H144-F218 AromaticContact CD2-CE1 3.59Å
145I87.6Confident87.2Confident40 Ų4059.8 Ų59.821%0.20532%0.315CS..Hα-helixtrans-91.7-19.4173.4-166.767.3000112.5L141 E142 G147 K148 F150 F151L141-I145 WeakPolarHBondContact O-CG2 3.49Å; L141-I145 PolarHBondContact O-N 3.25Å; E142-I145 PolarHBondContact O-N 3.1Å; I145-G147 PolarHBondContact O-N 3.19Å; I145-G147 VanDerWaalsContact O-N 3.16Å; I145-K148 HydrophobicContact CD1-CB 4.29Å; I145-K148 WeakPolarHBondContact O-CA 3.34Å; I145-K148 WeakPolarHBondContact O-CB 3.23Å; I145-K148 PolarHBondContact O-N 3.43Å; I145-F150 WeakPolarHBondContact CD1-O 3.34Å; I145-F151 HydrophobicContact CB-CD1 4.18Å; I145-F151 HydrophobicContact CB-CE1 3.7Å; I145-F151 HydrophobicContact CB-CZ 3.88Å; I145-F151 HydrophobicContact CD1-CD1 4.32Å; I145-F151 HydrophobicContact CD1-CD2 4.09Å; I145-F151 HydrophobicContact CD1-CE1 4.44Å; I145-F151 HydrophobicContact CD1-CE2 4.2Å; I145-F151 HydrophobicContact CD1-CG 4.13Å; I145-F151 HydrophobicContact CD1-CZ 4.35Å; I145-F151 HydrophobicContact CG1-CE1 4.44Å; I145-F151 HydrophobicContact CG1-CE2 4.46Å; I145-F151 HydrophobicContact CG1-CZ 4.25Å; I145-F151 HydrophobicContact CG2-CE1 4.31Å; I145-F151 HydrophobicContact CG2-CZ 4.28Å
146K81.7Confident87.6Confident151 Ų15161.2 Ų61.266%0.65732%0.324SS*.THydrogen-bonded Turntrans-55.5119-176.7-169.5168-160.61370112.2E142 K148E142-K146 HydrophobicContact CG-CB 4.49Å; E142-K146 WeakPolarHBondContact O-CB 3.17Å; E142-K146 PolarHBondContact O-N 3.18Å; E142-K146 IonicContact OE1-NZ 3.83Å; E142-K146 PolarHBondContact OE1-NZ 3.09Å; K146-K148 VanDerWaalsContact C-N 3.33Å
147G82.2Confident88.2Confident89 Ų8958.5 Ų58.592%0.91831%0.312SS*.THydrogen-bonded Turntrans82.62.3-176.300000115.2I145I145-G147 PolarHBondContact O-N 3.19Å; I145-G147 VanDerWaalsContact O-N 3.16Å
148K88.9Confident88.6Confident113 Ų11358.5 Ų58.549%0.49131%0.312SS..  trans-112166.3171.9-52.3178-172.31630110.3H144 I145 K146 F150H144-K148 WeakPolarHBondContact O-CD 3.45Å; H144-K148 WeakPolarHBondContact O-CE 3.22Å; H144-K148 PolarHBondContact O-NZ 2.92Å; I145-K148 HydrophobicContact CD1-CB 4.29Å; I145-K148 WeakPolarHBondContact O-CA 3.34Å; I145-K148 WeakPolarHBondContact O-CB 3.23Å; I145-K148 PolarHBondContact O-N 3.43Å; K146-K148 VanDerWaalsContact C-N 3.33Å; K148-F150 WeakPolarHBondContact CB-O 3.28Å
149Q85.3Confident89.1Confident157 Ų15757.9 Ų57.973%0.73431%0.308SS*.SBendtrans-94.5-29.5169.9-169177.2-3.400112.5
150F92.1Very high89.5Confident37 Ų3758.5 Ų58.516%0.16231%0.311CS..SBendtrans-137.8158.4-177.4-54.7-66000110.3I145 K148 A152 P156 D160I145-F150 WeakPolarHBondContact CD1-O 3.34Å; K148-F150 WeakPolarHBondContact CB-O 3.28Å; F150-A152 VanDerWaalsContact C-N 3.3Å; F150-A152 PolarHBondContact O-N 3.26Å; F150-P156 HydrophobicContact CD1-CB 3.84Å; F150-P156 HydrophobicContact CE1-CB 3.74Å; F150-P156 HydrophobicContact CE1-CG 4.09Å; F150-P156 HydrophobicContact CZ-CB 4.5Å; F150-P156 HydrophobicContact CZ-CG 4.4Å; F150-D160 WeakPolarHBondContact CA-OD1 3.4Å; F150-D160 WeakPolarHBondContact CB-OD1 3.34Å; F150-D160 HydrophobicContact CD1-CB 4.4Å
151F92Very high89.9Confident11 Ų1158.9 Ų58.95%0.04831%0.313CS..SBendtrans-68.1-30.7-177.1-76.3-81.8000113W100 V104 L141 I145 D160 I163W100-F151 PolarHBondContact NE1-O 2.71Å; V104-F151 HydrophobicContact CB-CD1 4.45Å; V104-F151 HydrophobicContact CB-CG 4.44Å; V104-F151 HydrophobicContact CG1-CB 4.18Å; V104-F151 HydrophobicContact CG1-CD1 3.69Å; V104-F151 HydrophobicContact CG1-CD2 3.85Å; V104-F151 HydrophobicContact CG1-CE1 4.01Å; V104-F151 HydrophobicContact CG1-CE2 4.18Å; V104-F151 HydrophobicContact CG1-CG 3.62Å; V104-F151 HydrophobicContact CG1-CZ 4.27Å; V104-F151 HydrophobicContact CG2-CB 4.11Å; V104-F151 HydrophobicContact CG2-CD1 3.85Å; V104-F151 HydrophobicContact CG2-CG 4.12Å; L141-F151 HydrophobicContact CB-CE1 3.8Å; L141-F151 HydrophobicContact CB-CZ 3.78Å; L141-F151 HydrophobicContact CD2-CE1 4.12Å; L141-F151 HydrophobicContact CD2-CZ 4.29Å; L141-F151 HydrophobicContact CG-CZ 4.5Å; I145-F151 HydrophobicContact CB-CD1 4.18Å; I145-F151 HydrophobicContact CB-CE1 3.7Å; I145-F151 HydrophobicContact CB-CZ 3.88Å; I145-F151 HydrophobicContact CD1-CD1 4.32Å; I145-F151 HydrophobicContact CD1-CD2 4.09Å; I145-F151 HydrophobicContact CD1-CE1 4.44Å; I145-F151 HydrophobicContact CD1-CE2 4.2Å; I145-F151 HydrophobicContact CD1-CG 4.13Å; I145-F151 HydrophobicContact CD1-CZ 4.35Å; I145-F151 HydrophobicContact CG1-CE1 4.44Å; I145-F151 HydrophobicContact CG1-CE2 4.46Å; I145-F151 HydrophobicContact CG1-CZ 4.25Å; I145-F151 HydrophobicContact CG2-CE1 4.31Å; I145-F151 HydrophobicContact CG2-CZ 4.28Å; F151-D160 WeakPolarHBondContact CD2-OD1 3.42Å; F151-D160 PolarHBondContact N-OD1 2.77Å; F151-I163 HydrophobicContact CE2-CB 4.02Å; F151-I163 HydrophobicContact CE2-CG1 3.96Å; F151-I163 HydrophobicContact CE2-CG2 3.89Å; F151-I163 HydrophobicContact CZ-CG1 4.37Å; F151-I163 HydrophobicContact CZ-CG2 4.14Å
152A92Very high90.1Very high5 Ų559 Ų594%0.04131%0.314CS..SBendtrans-134.5156.4174.700000110.5E97 V101 F150 T157E97-A152 HydrophobicContact CB-CB 4.22Å; E97-A152 HydrophobicContact CG-CB 4.41Å; V101-A152 HydrophobicContact CG2-CB 3.73Å; F150-A152 VanDerWaalsContact C-N 3.3Å; F150-A152 PolarHBondContact O-N 3.26Å; A152-T157 HydrophobicContact CB-CG2 4.11Å
153G88.4Confident90.3Very high50 Ų5055.6 Ų55.652%0.51530%0.298SS..THydrogen-bonded Turntrans55.5-144.6174.100000115.3E97E97-G153 WeakPolarHBondContact OE1-CA 2.97Å; E97-G153 PolarHBondContact OE1-N 2.82Å
154N89.3Confident90.4Very high137 Ų13755 Ų5573%0.73330%0.296SS*.THydrogen-bonded Turntrans-128.420.3177.565.5-5.3000112.6
155K91.1Very high90.3Very high150 Ų15053.4 Ų53.465%0.65229%0.289SS*.SBendtrans-146152.6-179.5-70.5-174.2-179.7-175.10109.5T157K155-T157 PolarHBondContact O-N 3.05Å
156P93Very high90.3Very high30 Ų3051.7 Ų51.720%0.19528%0.28CS..  trans-64133.6176.328-35000111.3F150 D160 Y161F150-P156 HydrophobicContact CD1-CB 3.84Å; F150-P156 HydrophobicContact CE1-CB 3.74Å; F150-P156 HydrophobicContact CE1-CG 4.09Å; F150-P156 HydrophobicContact CZ-CB 4.5Å; F150-P156 HydrophobicContact CZ-CG 4.4Å; P156-D160 HydrophobicContact CB-CB 3.95Å; P156-Y161 HydrophobicContact CB-CE1 4.16Å; P156-Y161 HydrophobicContact CB-CE2 3.98Å; P156-Y161 HydrophobicContact CG-CE1 4.26Å; P156-Y161 HydrophobicContact CG-CE2 4.23Å; P156-Y161 WeakPolarHBondContact CG-OH 3.28Å
157T96.6Very high90.2Very high3 Ų347.9 Ų47.92%0.01827%0.267CS..  trans-102.2175.8172.870.20000110.9L91 V101 A152 K155 A159 D160 Y161L91-T157 CarbonylContact O-C 3.43Å; L91-T157 VanDerWaalsContact O-CA 3.23Å; L91-T157 WeakPolarHBondContact O-CA 3.24Å; L91-T157 VanDerWaalsContact O-CB 3.28Å; L91-T157 WeakPolarHBondContact O-CB 3.4Å; V101-T157 HydrophobicContact CG2-CG2 3.87Å; A152-T157 HydrophobicContact CB-CG2 4.11Å; K155-T157 PolarHBondContact O-N 3.05Å; T157-A159 PolarHBondContact O-N 3.3Å; T157-A159 VanDerWaalsContact O-N 3.08Å; T157-A159 PolarHBondContact OG1-N 3.42Å; T157-D160 WeakPolarHBondContact CA-OD2 3.17Å; T157-D160 WeakPolarHBondContact CB-OD2 3.49Å; T157-D160 PolarHBondContact N-OD2 3.46Å; T157-D160 WeakPolarHBondContact O-CB 3.24Å; T157-D160 PolarHBondContact O-N 2.88Å; T157-D160 PolarHBondContact OG1-OD2 3.34Å; T157-Y161 WeakPolarHBondContact O-CD2 3.22Å; T157-Y161 PolarHBondContact O-N 3.14Å
158I96.5Very high90Very high0 Ų046.8 Ų46.80%024%0.238CC..Hα-helixtrans-56.3-24.717463.8171.7000113.4M82 R83 L91 Y92 V101 S162M82-I158 HydrophobicContact CB-CB 4.5Å; M82-I158 HydrophobicContact CE-CB 4.08Å; M82-I158 VanDerWaalsContact CE-O 3.29Å; M82-I158 WeakPolarHBondContact CE-O 3.07Å; M82-I158 WeakPolarHBondContact O-CG2 3.33Å; R83-I158 HydrophobicContact CG-CD1 4Å; L91-I158 HydrophobicContact CB-CG2 3.9Å; L91-I158 PolarHBondContact O-N 3.33Å; Y92-I158 HydrophobicContact CD1-CD1 4.4Å; Y92-I158 HydrophobicContact CD2-CD1 4.37Å; Y92-I158 HydrophobicContact CE1-CD1 3.92Å; Y92-I158 HydrophobicContact CE2-CD1 3.88Å; V101-I158 HydrophobicContact CG1-CD1 4.28Å; V101-I158 HydrophobicContact CG1-CG1 3.57Å; I158-S162 WeakPolarHBondContact O-CB 3.37Å; I158-S162 PolarHBondContact O-N 2.87Å
159A94.5Very high89.5Confident0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-72.2-46.7172.700000111.4V101 V104 T157 Y161 S162 I163V101-A159 HydrophobicContact CG1-CB 3.94Å; V104-A159 HydrophobicContact CB-CB 3.87Å; V104-A159 HydrophobicContact CG1-CB 3.78Å; T157-A159 PolarHBondContact O-N 3.3Å; T157-A159 VanDerWaalsContact O-N 3.08Å; T157-A159 PolarHBondContact OG1-N 3.42Å; A159-Y161 PolarHBondContact O-N 2.75Å; A159-S162 WeakPolarHBondContact O-CB 3.48Å; A159-S162 PolarHBondContact O-N 2.98Å; A159-S162 VanDerWaalsContact O-N 3.16Å; A159-I163 WeakPolarHBondContact O-CG1 3.44Å; A159-I163 PolarHBondContact O-N 2.74Å
160D94.7Very high89.1Confident16 Ų1635.9 Ų35.99%0.08619%0.188CC..Hα-helixtrans-59.4-43.9180-57.1-92.2000111.9F150 F151 P156 T157 S162 I163 F164F150-D160 WeakPolarHBondContact CA-OD1 3.4Å; F150-D160 WeakPolarHBondContact CB-OD1 3.34Å; F150-D160 HydrophobicContact CD1-CB 4.4Å; F151-D160 WeakPolarHBondContact CD2-OD1 3.42Å; F151-D160 PolarHBondContact N-OD1 2.77Å; P156-D160 HydrophobicContact CB-CB 3.95Å; T157-D160 WeakPolarHBondContact CA-OD2 3.17Å; T157-D160 WeakPolarHBondContact CB-OD2 3.49Å; T157-D160 PolarHBondContact N-OD2 3.46Å; T157-D160 WeakPolarHBondContact O-CB 3.24Å; T157-D160 PolarHBondContact O-N 2.88Å; T157-D160 PolarHBondContact OG1-OD2 3.34Å; D160-S162 PolarHBondContact O-N 2.74Å; D160-I163 PolarHBondContact O-N 2.95Å; D160-F164 VanDerWaalsContact O-CB 3.25Å; D160-F164 WeakPolarHBondContact O-CB 3.32Å; D160-F164 PolarHBondContact O-N 3.48Å
161Y94.2Very high88Confident9 Ų938.4 Ų38.44%0.03521%0.207CC..Hα-helixtrans-64.6-37.2175.7-65.1-63.6000113.3V21 T22 D25 N26 P156 T157 A159 C165V21-Y161 HydrophobicContact CG1-CD1 3.98Å; V21-Y161 HydrophobicContact CG1-CE1 4.49Å; T22-Y161 HydrophobicContact CG2-CD2 3.85Å; T22-Y161 HydrophobicContact CG2-CE2 4.07Å; T22-Y161 HydrophobicContact CG2-CG 4.46Å; T22-Y161 VanDerWaalsContact OG1-CB 3.24Å; T22-Y161 WeakPolarHBondContact OG1-CB 3.45Å; T22-Y161 WeakPolarHBondContact OG1-CD2 3.32Å; D25-Y161 HydrophobicContact CB-CE1 3.83Å; D25-Y161 WeakPolarHBondContact OD2-CE1 3.39Å; D25-Y161 PolarHBondContact OD2-OH 3.06Å; N26-Y161 PolarHBondContact ND2-OH 2.87Å; P156-Y161 HydrophobicContact CB-CE1 4.16Å; P156-Y161 HydrophobicContact CB-CE2 3.98Å; P156-Y161 HydrophobicContact CG-CE1 4.26Å; P156-Y161 HydrophobicContact CG-CE2 4.23Å; P156-Y161 WeakPolarHBondContact CG-OH 3.28Å; T157-Y161 WeakPolarHBondContact O-CD2 3.22Å; T157-Y161 PolarHBondContact O-N 3.14Å; A159-Y161 PolarHBondContact O-N 2.75Å; Y161-C165 PolarHBondContact O-N 3.43Å; Y161-C165 PolarHBondContact O-SG 3.22Å
162S91.7Very high87.1Confident7 Ų742.2 Ų42.25%0.04924%0.24CC..Hα-helixtrans-67.5-47.9176.6-173.50000111.4I158 A159 D160 F164 C165 L166I158-S162 WeakPolarHBondContact O-CB 3.37Å; I158-S162 PolarHBondContact O-N 2.87Å; A159-S162 WeakPolarHBondContact O-CB 3.48Å; A159-S162 PolarHBondContact O-N 2.98Å; A159-S162 VanDerWaalsContact O-N 3.16Å; D160-S162 PolarHBondContact O-N 2.74Å; S162-F164 PolarHBondContact O-N 2.91Å; S162-C165 PolarHBondContact O-N 3.45Å; S162-L166 WeakPolarHBondContact O-CB 3.08Å; S162-L166 PolarHBondContact O-N 3.47Å
163I90.4Very high85.8Confident6 Ų644.2 Ų44.23%0.03125%0.25CC..Hα-helixtrans-64.9-38.3176.2-61.9-48.7000111.5V104 G108 L141 F151 A159 D160 C165 L166 L167V104-I163 HydrophobicContact CG1-CG1 3.99Å; G108-I163 VanDerWaalsContact CA-CD1 3.41Å; L141-I163 HydrophobicContact CD1-CD1 3.6Å; L141-I163 HydrophobicContact CD1-CG1 4.17Å; L141-I163 HydrophobicContact CD1-CG2 4.01Å; L141-I163 HydrophobicContact CD2-CD1 4.28Å; F151-I163 HydrophobicContact CE2-CB 4.02Å; F151-I163 HydrophobicContact CE2-CG1 3.96Å; F151-I163 HydrophobicContact CE2-CG2 3.89Å; F151-I163 HydrophobicContact CZ-CG1 4.37Å; F151-I163 HydrophobicContact CZ-CG2 4.14Å; A159-I163 WeakPolarHBondContact O-CG1 3.44Å; A159-I163 PolarHBondContact O-N 2.74Å; D160-I163 PolarHBondContact O-N 2.95Å; I163-C165 PolarHBondContact O-N 3.36Å; I163-L166 HydrophobicContact CD1-CD2 4.07Å; I163-L166 WeakPolarHBondContact O-CB 3.32Å; I163-L166 PolarHBondContact O-N 3.34Å; I163-L167 HydrophobicContact CG2-CD1 3.81Å; I163-L167 HydrophobicContact CG2-CG 4.16Å; I163-L167 WeakPolarHBondContact O-CB 3.22Å; I163-L167 VanDerWaalsContact O-CG 3.26Å; I163-L167 WeakPolarHBondContact O-CG 3.26Å; I163-L167 PolarHBondContact O-N 3.22Å
164F89.1Confident84Confident106 Ų10642.4 Ų42.447%0.46523%0.229SC..Hα-helixtrans-58.3-49.2175.5174.8-97.1000112.2V21 D160 S162 L166 L167 E168V21-F164 HydrophobicContact CG1-CD1 4.27Å; V21-F164 HydrophobicContact CG1-CE1 4.39Å; D160-F164 VanDerWaalsContact O-CB 3.25Å; D160-F164 WeakPolarHBondContact O-CB 3.32Å; D160-F164 PolarHBondContact O-N 3.48Å; S162-F164 PolarHBondContact O-N 2.91Å; F164-L166 VanDerWaalsContact C-N 3.34Å; F164-L166 PolarHBondContact O-N 3.42Å; F164-L167 PolarHBondContact O-N 3.05Å; F164-E168 HydrophobicContact CE1-CG 4.18Å; F164-E168 HydrophobicContact CZ-CG 4.16Å; F164-E168 PolarHBondContact O-N 3.43Å
165C85.5Confident81.8Confident5 Ų540.6 Ų40.63%0.03423%0.225CC..Hα-helixtrans-72.9-27.6-178.6-59.90000112.9M18 Y161 S162 I163 Q169M18-C165 WeakPolarHBondContact CA-SG 3.13Å; M18-C165 HydrophobicContact CB-CB 3.86Å; Y161-C165 PolarHBondContact O-N 3.43Å; Y161-C165 PolarHBondContact O-SG 3.22Å; S162-C165 PolarHBondContact O-N 3.45Å; I163-C165 PolarHBondContact O-N 3.36Å; C165-Q169 PolarHBondContact O-N 3Å; C165-Q169 PolarHBondContact O-NE2 3.06Å
166L86.1Confident79.1Confident3 Ų341.8 Ų41.82%0.01623%0.232CC..Hα-helixtrans-64.7-46.7167.7168.665.6000111V111 L112 L115 L138 S162 I163 F164 Q169 I170V111-L166 HydrophobicContact CB-CD1 4.25Å; V111-L166 HydrophobicContact CB-CD2 3.7Å; V111-L166 HydrophobicContact CG1-CD1 4.19Å; V111-L166 HydrophobicContact CG1-CD2 4.08Å; V111-L166 HydrophobicContact CG2-CD2 3.96Å; L112-L166 HydrophobicContact CB-CD1 4.1Å; L112-L166 HydrophobicContact CD1-CD1 4.14Å; L115-L166 HydrophobicContact CD2-CD1 4.01Å; L138-L166 HydrophobicContact CD2-CD2 4.32Å; S162-L166 WeakPolarHBondContact O-CB 3.08Å; S162-L166 PolarHBondContact O-N 3.47Å; I163-L166 HydrophobicContact CD1-CD2 4.07Å; I163-L166 WeakPolarHBondContact O-CB 3.32Å; I163-L166 PolarHBondContact O-N 3.34Å; F164-L166 VanDerWaalsContact C-N 3.34Å; F164-L166 PolarHBondContact O-N 3.42Å; L166-Q169 PolarHBondContact O-N 2.85Å; L166-I170 HydrophobicContact CD1-CD1 3.65Å; L166-I170 HydrophobicContact CD1-CG1 4.35Å; L166-I170 HydrophobicContact CG-CD1 3.75Å; L166-I170 WeakPolarHBondContact O-CD1 3.44Å; L166-I170 WeakPolarHBondContact O-CG1 3.41Å; L166-I170 PolarHBondContact O-N 3.19Å
167L80.5Confident76.2Confident72 Ų7241 Ų4138%0.37723%0.228SC..Hα-helixtrans-64.9-37.7178.7-73.4171.5000112.3L138 I163 F164 Q169 I170 V171L138-L167 HydrophobicContact CD1-CD2 4.43Å; L138-L167 HydrophobicContact CD2-CD2 4.04Å; I163-L167 HydrophobicContact CG2-CD1 3.81Å; I163-L167 HydrophobicContact CG2-CG 4.16Å; I163-L167 WeakPolarHBondContact O-CB 3.22Å; I163-L167 VanDerWaalsContact O-CG 3.26Å; I163-L167 WeakPolarHBondContact O-CG 3.26Å; I163-L167 PolarHBondContact O-N 3.22Å; F164-L167 PolarHBondContact O-N 3.05Å; L167-Q169 PolarHBondContact O-N 3.13Å; L167-I170 PolarHBondContact O-N 2.71Å; L167-V171 WeakPolarHBondContact O-CB 3.4Å; L167-V171 VanDerWaalsContact O-CG2 3.31Å; L167-V171 WeakPolarHBondContact O-CG2 3.21Å; L167-V171 PolarHBondContact O-N 3.21Å
168E77.8Confident72.9Confident66 Ų6645.5 Ų45.531%0.30825%0.251SS..Hα-helixtrans-57.6-47.3171.7-83-153.2116.100112.4K13 F164 I170 V171 A172K13-E168 IonicContact NZ-OE1 2.8Å; K13-E168 PolarHBondContact NZ-OE1 3.48Å; K13-E168 IonicContact NZ-OE2 2.67Å; K13-E168 PolarHBondContact NZ-OE2 2.67Å; F164-E168 HydrophobicContact CE1-CG 4.18Å; F164-E168 HydrophobicContact CZ-CG 4.16Å; F164-E168 PolarHBondContact O-N 3.43Å; E168-I170 VanDerWaalsContact C-N 3.31Å; E168-I170 PolarHBondContact O-N 2.97Å; E168-V171 PolarHBondContact O-N 2.85Å; E168-A172 VanDerWaalsContact O-CB 3.31Å; E168-A172 WeakPolarHBondContact O-CB 3.25Å; E168-A172 PolarHBondContact O-N 3.46Å
169Q79.4Confident69.9Low33 Ų3349.5 Ų49.515%0.15427%0.272CS..Hα-helixtrans-61-41.2177.8-74.9166.28200111.6K13 L115 C165 L166 L167 L173K13-Q169 WeakPolarHBondContact O-CG 3.43Å; K13-Q169 PolarHBondContact O-OE1 3.03Å; L115-Q169 HydrophobicContact CD2-CB 4.39Å; C165-Q169 PolarHBondContact O-N 3Å; C165-Q169 PolarHBondContact O-NE2 3.06Å; L166-Q169 PolarHBondContact O-N 2.85Å; L167-Q169 PolarHBondContact O-N 3.13Å; Q169-L173 WeakPolarHBondContact O-CB 3.33Å; Q169-L173 PolarHBondContact O-N 2.95Å; Q169-L173 VanDerWaalsContact O-N 3.08Å
170I77.1Confident66.8Low7 Ų752.5 Ų52.54%0.03629%0.286CS..Hα-helixtrans-67.6-47.5179-68.3159.9000111.1L115 L134 L138 L166 L167 E168 A172 L173 T174L115-I170 HydrophobicContact CD1-CG1 4.37Å; L115-I170 HydrophobicContact CD2-CD1 4.4Å; L115-I170 HydrophobicContact CD2-CG1 3.73Å; L134-I170 HydrophobicContact CD1-CD1 3.93Å; L134-I170 HydrophobicContact CD1-CG1 4.1Å; L134-I170 HydrophobicContact CD2-CG2 4.15Å; L138-I170 HydrophobicContact CD1-CD1 3.78Å; L138-I170 HydrophobicContact CD1-CG2 4.12Å; L138-I170 HydrophobicContact CD2-CD1 3.65Å; L138-I170 HydrophobicContact CG-CD1 4.28Å; L166-I170 HydrophobicContact CD1-CD1 3.65Å; L166-I170 HydrophobicContact CD1-CG1 4.35Å; L166-I170 HydrophobicContact CG-CD1 3.75Å; L166-I170 WeakPolarHBondContact O-CD1 3.44Å; L166-I170 WeakPolarHBondContact O-CG1 3.41Å; L166-I170 PolarHBondContact O-N 3.19Å; L167-I170 PolarHBondContact O-N 2.71Å; E168-I170 VanDerWaalsContact C-N 3.31Å; E168-I170 PolarHBondContact O-N 2.97Å; I170-A172 VanDerWaalsContact C-N 3.3Å; I170-A172 PolarHBondContact O-N 2.89Å; I170-L173 PolarHBondContact O-N 3.2Å; I170-L173 VanDerWaalsContact O-N 3.14Å; I170-T174 CarbonylContact O-C 3.57Å; I170-T174 WeakPolarHBondContact O-CA 3.47Å; I170-T174 PolarHBondContact O-N 3.49Å; I170-T174 PolarHBondContact O-OG1 3.08Å
171V68.2Low63.8Low91 Ų9153.9 Ų53.955%0.55229%0.292SS*.Hα-helixtrans-61.6-39.3178.1169.30000111.4L167 E168 L173L167-V171 WeakPolarHBondContact O-CB 3.4Å; L167-V171 VanDerWaalsContact O-CG2 3.31Å; L167-V171 WeakPolarHBondContact O-CG2 3.21Å; L167-V171 PolarHBondContact O-N 3.21Å; E168-V171 PolarHBondContact O-N 2.85Å; V171-L173 VanDerWaalsContact C-N 3.34Å; V171-L173 PolarHBondContact O-N 3.16Å
172A72.1Confident61.1Low91 Ų9156.9 Ų56.975%0.75231%0.312SS*.Hα-helixtrans-66.4-33175.900000113.2E168 I170E168-A172 VanDerWaalsContact O-CB 3.31Å; E168-A172 WeakPolarHBondContact O-CB 3.25Å; E168-A172 PolarHBondContact O-N 3.46Å; I170-A172 VanDerWaalsContact C-N 3.3Å; I170-A172 PolarHBondContact O-N 2.89Å
173L66.3Low58.4Low46 Ų4658.7 Ų58.724%0.24133%0.332CS..Hα-helixtrans-78.7-41.5176-94.3159.5000113L115 I119 K126 Q169 I170 V171L115-L173 HydrophobicContact CD1-CD1 4.1Å; I119-L173 HydrophobicContact CD1-CD1 3.58Å; I119-L173 HydrophobicContact CG1-CD1 3.89Å; K126-L173 PolarHBondContact NZ-O 2.7Å; Q169-L173 WeakPolarHBondContact O-CB 3.33Å; Q169-L173 PolarHBondContact O-N 2.95Å; Q169-L173 VanDerWaalsContact O-N 3.08Å; I170-L173 PolarHBondContact O-N 3.2Å; I170-L173 VanDerWaalsContact O-N 3.14Å; V171-L173 VanDerWaalsContact C-N 3.34Å; V171-L173 PolarHBondContact O-N 3.16Å
174T48.9Very low55.9Low12 Ų1263 Ų637%0.07436%0.355CS..  trans-162.3103.9-159.4530000111.5I130 I170 H176I130-T174 HydrophobicContact CD1-CG2 3.19Å; I130-T174 HydrophobicContact CG1-CG2 3.51Å; I170-T174 CarbonylContact O-C 3.57Å; I170-T174 WeakPolarHBondContact O-CA 3.47Å; I170-T174 PolarHBondContact O-N 3.49Å; I170-T174 PolarHBondContact O-OG1 3.08Å; T174-H176 VanDerWaalsContact C-N 3.31Å; T174-H176 PolarHBondContact O-N 3.44Å; T174-H176 VanDerWaalsContact O-N 3.12Å
175P43.2Very low54Low100 Ų10059.2 Ų59.265%0.64935%0.345SS*.SBendtrans-65.8-13.1-173.3-28.837.4000118.4
176H34.8Very low53.7Low175 Ų17561 Ų6181%0.8135%0.353SS*.  trans-147.390.6-167.9-67.9-11.8000113.6T174T174-H176 VanDerWaalsContact C-N 3.31Å; T174-H176 PolarHBondContact O-N 3.44Å; T174-H176 VanDerWaalsContact O-N 3.12Å
177S31.7Very low53.2Low14 Ų1462.2 Ų62.210%0.09836%0.359CS..  trans-147.7109.3-176.6-51.20000114.9P135P135-S177 CarbonylContact C-O 3.44Å; P135-S177 VanDerWaalsContact CB-C 3.45Å; P135-S177 VanDerWaalsContact O-O 3.09Å
178L27.7Very low53.1Low97 Ų9759.4 Ų59.451%0.50834%0.344SS..  trans-143.448.8-175.8-58.7174.8000124P135 E136 L138P135-L178 WeakPolarHBondContact O-CA 3.45Å; E136-L178 VanDerWaalsContact CB-C 3.4Å; E136-L178 WeakPolarHBondContact CB-O 3.48Å; E136-L178 WeakPolarHBondContact CG-O 3.48Å; E136-L178 VanDerWaalsContact N-C 3.31Å; L138-L178 HydrophobicContact CB-CD2 3.86Å
179D34.7Very low53.4Low83 Ų8358.8 Ų58.844%0.44434%0.339SS..  trans-119143.8169.4-28.9-104.6000120.2P135 E136P135-D179 VanDerWaalsContact C-N 3.32Å; P135-D179 CarbonylContact C-O 3.59Å; P135-D179 HydrophobicContact CB-CB 4.05Å; P135-D179 VanDerWaalsContact CB-OD2 3.28Å; P135-D179 WeakPolarHBondContact CB-OD2 3.47Å; P135-D179 VanDerWaalsContact CD-O 3.24Å; P135-D179 WeakPolarHBondContact CD-O 3.39Å; E136-D179 PolarHBondContact N-O 2.97Å
180Q29.1Very low53.5Low63 Ų6357.2 Ų57.229%0.29433%0.332SS..  trans-114.6150.2-139.4-142.4158.443.200127.8E136 K140E136-Q180 HydrophobicContact CB-CB 3.58Å; E136-Q180 HydrophobicContact CB-CG 3.65Å; E136-Q180 HydrophobicContact CG-CB 4.31Å; E136-Q180 HydrophobicContact CG-CG 4.05Å; E136-Q180 WeakPolarHBondContact O-CG 3.4Å; E136-Q180 PolarHBondContact O-NE2 2.72Å; E136-Q180 VanDerWaalsContact OE1-CD 3.32Å; E136-Q180 PolarHBondContact OE1-NE2 2.92Å; E136-Q180 VanDerWaalsContact OE2-CD 3.26Å; E136-Q180 PolarHBondContact OE2-OE1 3.27Å; K140-Q180 HydrophobicContact CG-CG 4.06Å; K140-Q180 VanDerWaalsContact N-NE2 3.1Å
181F31.1Very low53.7Low45 Ų4557 Ų5720%0.19733%0.331CS..  trans101.6146.1149.4-58.9-66.6000125.1K114 E137 K140 K213 F218K114-F181 PolarHBondContact NZ-O 2.78Å; E137-F181 WeakPolarHBondContact OE1-CA 3.36Å; E137-F181 PolarHBondContact OE1-N 3.02Å; E137-F181 VanDerWaalsContact OE1-N 3.14Å; K140-F181 HydrophobicContact CD-CD1 4.32Å; K140-F181 HydrophobicContact CD-CE1 4.45Å; K140-F181 HydrophobicContact CG-CD1 4.16Å; K140-F181 HydrophobicContact CG-CE1 3.86Å; F181-K213 HydrophobicContact CE2-CD 4.47Å; F181-K213 VanDerWaalsContact CE2-CE 3.41Å; F181-K213 VanDerWaalsContact CG-CE 3.48Å; F181-F218 WeakPolarHBondContact CD1-O 3.46Å; F181-F218 VanDerWaalsContact CE1-C 3.47Å; F181-F218 WeakPolarHBondContact CE1-O 3.25Å
182P36.7Very low54.5Low72 Ų7252.9 Ų52.947%0.46831%0.306SS..  -166.5175.1112.744.5-22.7000118.9E137 Q220E137-P182 WeakPolarHBondContact OE1-CD 3.47Å; P182-Q220 WeakPolarHBondContact O-CG 3.19Å; P182-Q220 PolarHBondContact O-NE2 3.17Å
183G36.9Very low55.3Low45 Ų4551 Ų5146%0.46428%0.279SS..  trans-142.4173.1-172.700000122.1
184L37.6Very low56.6Low98 Ų9848.9 Ų48.951%0.51327%0.268SS..  trans-163.1134.3-170.2-84.4172.7000116.3V221 P222 S234 N272L184-V221 PolarHBondContact N-O 3.27Å; L184-P222 VanDerWaalsContact C-CD 3.47Å; L184-P222 WeakPolarHBondContact O-CD 3.49Å; L184-S234 VanDerWaalsContact O-CB 3.3Å; L184-S234 WeakPolarHBondContact O-CB 3.35Å; L184-S234 PolarHBondContact O-OG 3.17Å; L184-N272 WeakPolarHBondContact CD1-ND2 3.36Å
185G48.8Very low58.6Low25 Ų2550.8 Ų50.826%0.25828%0.278SS..  trans-155.94.8-169.200000128.7M187G185-M187 PolarHBondContact O-N 2.92Å
186E78.3Confident60.9Low42 Ų4253 Ų5320%0.19628%0.279CS..THydrogen-bonded Turntrans-63-39.8-168.2-17463-168.600116.9I188 R189 Y356 R365E186-I188 PolarHBondContact O-N 2.87Å; E186-R189 WeakPolarHBondContact O-CB 3.28Å; E186-R189 PolarHBondContact O-N 3.42Å; E186-R189 WeakPolarHBondContact OE2-CD 3.34Å; E186-R189 IonicContact OE2-CZ 2.8Å; E186-R189 IonicContact OE2-NE 2.71Å; E186-R189 IonicContact OE2-NH1 2.74Å; E186-R189 PolarHBondContact OE2-NH1 3.33Å; E186-Y356 PolarHBondContact OE1-OH 2.76Å; E186-R365 IonicContact OE1-CZ 2.7Å; E186-R365 IonicContact OE1-NH1 3.77Å; E186-R365 PolarHBondContact OE1-NH1 2.88Å; E186-R365 IonicContact OE2-NH1 3.93Å; E186-R365 PolarHBondContact OE2-NH1 3.26Å
187M76.7Confident63.4Low29 Ų2945.8 Ų45.814%0.14325%0.247CC..Hα-helixtrans-55.5-22.8-168.760.6-171.6154.800116.5G185 R189 V190 A191 S234 M238 Y261 C321G185-M187 PolarHBondContact O-N 2.92Å; M187-R189 VanDerWaalsContact C-N 3.31Å; M187-R189 PolarHBondContact O-N 3.44Å; M187-V190 PolarHBondContact O-N 3.36Å; M187-A191 PolarHBondContact O-N 3.41Å; M187-S234 VanDerWaalsContact CE-CB 3.49Å; M187-S234 WeakPolarHBondContact CE-OG 3.4Å; M187-M238 HydrophobicContact CB-CE 4.26Å; M187-M238 HydrophobicContact CB-SD 4.46Å; M187-M238 HydrophobicContact CE-CG 4.32Å; M187-M238 HydrophobicContact CG-CE 4.13Å; M187-M238 HydrophobicContact CG-CG 3.97Å; M187-M238 HydrophobicContact CG-SD 3.93Å; M187-M238 HydrophobicContact SD-CE 4.49Å; M187-M238 HydrophobicContact SD-CG 4.07Å; M187-Y261 WeakPolarHBondContact CE-OH 3.35Å; M187-Y261 HydrophobicContact SD-CE2 4.05Å; M187-Y261 PolarHBondContact SD-OH 3.4Å; M187-C321 HydrophobicContact CB-CB 4.17Å
188I78Confident66.1Low14 Ų1452.9 Ų52.97%0.07228%0.284CS..Hα-helixtrans-61.8-41.6177.1-65.7157.7000110.6E186 A191 L192 P222 I237 M238 L241E186-I188 PolarHBondContact O-N 2.87Å; I188-A191 PolarHBondContact O-N 3.3Å; I188-L192 HydrophobicContact CG2-CD1 3.8Å; I188-L192 HydrophobicContact CG2-CG 4.46Å; I188-L192 VanDerWaalsContact O-CG 3.31Å; I188-L192 WeakPolarHBondContact O-CG 3.31Å; I188-L192 PolarHBondContact O-N 2.92Å; I188-P222 HydrophobicContact CD1-CB 3.69Å; I188-P222 HydrophobicContact CD1-CG 3.44Å; I188-P222 VanDerWaalsContact CD1-CG 3.44Å; I188-I237 HydrophobicContact CD1-CB 3.85Å; I188-I237 HydrophobicContact CD1-CD1 3.69Å; I188-I237 HydrophobicContact CD1-CG1 4.39Å; I188-I237 HydrophobicContact CD1-CG2 3.71Å; I188-I237 HydrophobicContact CG1-CB 4.22Å; I188-I237 HydrophobicContact CG1-CG2 3.82Å; I188-I237 HydrophobicContact CG2-CG2 3.88Å; I188-M238 HydrophobicContact CB-SD 4.34Å; I188-M238 HydrophobicContact CG1-CG 4.09Å; I188-M238 HydrophobicContact CG1-SD 3.83Å; I188-L241 HydrophobicContact CG2-CD1 3.95Å
189R83.4Confident68.9Low52 Ų5251.2 Ų51.220%0.19627%0.272CS..Hα-helixtrans-67-40.6-177.3-60.3174.4167.2131-4.6111.6E186 M187 L192 R193 F199 D201E186-R189 WeakPolarHBondContact O-CB 3.28Å; E186-R189 PolarHBondContact O-N 3.42Å; E186-R189 WeakPolarHBondContact OE2-CD 3.34Å; E186-R189 IonicContact OE2-CZ 2.8Å; E186-R189 IonicContact OE2-NE 2.71Å; E186-R189 IonicContact OE2-NH1 2.74Å; E186-R189 PolarHBondContact OE2-NH1 3.33Å; M187-R189 VanDerWaalsContact C-N 3.31Å; M187-R189 PolarHBondContact O-N 3.44Å; R189-L192 PolarHBondContact O-N 2.86Å; R189-R193 VanDerWaalsContact O-CB 3.28Å; R189-R193 WeakPolarHBondContact O-CB 3.45Å; R189-R193 VanDerWaalsContact O-CG 3.24Å; R189-R193 WeakPolarHBondContact O-CG 3.48Å; R189-R193 PolarHBondContact O-N 2.97Å; R189-F199 HydrophobicContact CB-CZ 4.16Å; R189-F199 HydrophobicContact CG-CE2 4.16Å; R189-F199 HydrophobicContact CG-CZ 4.09Å; R189-D201 WeakPolarHBondContact CD-OD2 3.33Å; R189-D201 IonicContact CZ-OD1 2.71Å; R189-D201 IonicContact CZ-OD2 3.26Å; R189-D201 IonicContact NE-OD1 3.2Å; R189-D201 PolarHBondContact NE-OD1 2.73Å; R189-D201 IonicContact NE-OD2 2.95Å; R189-D201 PolarHBondContact NE-OD2 2.91Å; R189-D201 IonicContact NH2-OD1 3Å; R189-D201 PolarHBondContact NH2-OD1 3.5Å; R189-D201 IonicContact NH2-OD2 2.74Å
190V82.7Confident71.3Confident1 Ų155.1 Ų55.11%0.00629%0.293CS..Hα-helixtrans-62.3-45.5175.9169.40000110.8M187 D194 Y317 F320 L353 Y356M187-V190 PolarHBondContact O-N 3.36Å; V190-D194 VanDerWaalsContact O-CB 3.31Å; V190-D194 WeakPolarHBondContact O-CB 3.48Å; V190-D194 PolarHBondContact O-N 2.92Å; V190-Y317 HydrophobicContact CG1-CD1 3.86Å; V190-F320 HydrophobicContact CG1-CD1 4.12Å; V190-L353 HydrophobicContact CG1-CD1 3.9Å; V190-L353 HydrophobicContact CG1-CD2 3.91Å; V190-L353 HydrophobicContact CG2-CD1 4.37Å; V190-Y356 HydrophobicContact CG2-CE1 4.48Å
191A80.1Confident73.8Confident2 Ų254.3 Ų54.32%0.01729%0.291CS..Hα-helixtrans-63.9-41.2177.400000112.9M187 I188 N195 M238 Y317M187-A191 PolarHBondContact O-N 3.41Å; I188-A191 PolarHBondContact O-N 3.3Å; A191-N195 PolarHBondContact O-ND2 3.22Å; A191-M238 HydrophobicContact CB-CE 4.02Å; A191-M238 HydrophobicContact CB-SD 4.21Å; A191-Y317 HydrophobicContact CB-CD2 3.68Å; A191-Y317 HydrophobicContact CB-CE2 4.24Å; A191-Y317 HydrophobicContact CB-CG 3.92Å
192L86.4Confident76.1Confident4 Ų457.3 Ų57.32%0.02131%0.305CS..Hα-helixtrans-66.5-49.7176.9-69.4168.1000111.9I188 R189 N195 Q196 I197 F199 L241I188-L192 HydrophobicContact CG2-CD1 3.8Å; I188-L192 HydrophobicContact CG2-CG 4.46Å; I188-L192 VanDerWaalsContact O-CG 3.31Å; I188-L192 WeakPolarHBondContact O-CG 3.31Å; I188-L192 PolarHBondContact O-N 2.92Å; R189-L192 PolarHBondContact O-N 2.86Å; L192-N195 PolarHBondContact O-N 3.21Å; L192-Q196 PolarHBondContact O-N 3.12Å; L192-I197 HydrophobicContact CB-CB 4.42Å; L192-I197 HydrophobicContact CD2-CB 3.8Å; L192-I197 HydrophobicContact CD2-CD1 3.97Å; L192-I197 HydrophobicContact CD2-CG2 3.61Å; L192-I197 PolarHBondContact O-N 2.92Å; L192-F199 HydrophobicContact CB-CD1 3.8Å; L192-F199 HydrophobicContact CB-CE1 3.75Å; L192-F199 HydrophobicContact CB-CZ 4.48Å; L192-F199 HydrophobicContact CD1-CB 4.2Å; L192-F199 HydrophobicContact CD1-CD1 3.73Å; L192-F199 HydrophobicContact CD1-CD2 3.87Å; L192-F199 HydrophobicContact CD1-CE1 4.01Å; L192-F199 HydrophobicContact CD1-CE2 4.13Å; L192-F199 HydrophobicContact CD1-CG 3.66Å; L192-F199 HydrophobicContact CD1-CZ 4.21Å; L192-F199 HydrophobicContact CG-CD1 4.32Å; L192-L241 HydrophobicContact CD1-CD1 4.36Å; L192-L241 HydrophobicContact CD2-CD1 3.79Å; L192-L241 HydrophobicContact CD2-CD2 3.78Å; L192-L241 HydrophobicContact CD2-CG 4.44Å; L192-L241 HydrophobicContact CG-CD1 3.91Å
193R89.2Confident77.8Confident52 Ų5256.4 Ų56.420%0.19631%0.309CS..Hα-helixtrans-68.1-41.1-174.5-71179.8157.1141.9-8.6113R189 N195 Q196 F199 D201 Y356 E361R189-R193 VanDerWaalsContact O-CB 3.28Å; R189-R193 WeakPolarHBondContact O-CB 3.45Å; R189-R193 VanDerWaalsContact O-CG 3.24Å; R189-R193 WeakPolarHBondContact O-CG 3.48Å; R189-R193 PolarHBondContact O-N 2.97Å; R193-N195 PolarHBondContact O-N 2.96Å; R193-Q196 PolarHBondContact O-N 3.34Å; R193-F199 HydrophobicContact CG-CE1 3.83Å; R193-F199 HydrophobicContact CG-CZ 4.34Å; R193-D201 IonicContact CZ-OD2 2.82Å; R193-D201 IonicContact NH1-OD2 3.59Å; R193-D201 PolarHBondContact NH1-OD2 2.86Å; R193-D201 VanDerWaalsContact NH1-OD2 3.08Å; R193-D201 IonicContact NH2-OD2 2.66Å; R193-Y356 HydrophobicContact CB-CD1 4.46Å; R193-Y356 PolarHBondContact NH1-OH 2.9Å; R193-E361 IonicContact CZ-OE1 3.56Å; R193-E361 VanDerWaalsContact CZ-OE1 3.24Å; R193-E361 IonicContact CZ-OE2 2.67Å; R193-E361 IonicContact NH1-OE1 3.77Å; R193-E361 PolarHBondContact NH1-OE1 3.38Å; R193-E361 IonicContact NH1-OE2 3.14Å; R193-E361 VanDerWaalsContact NH2-CD 3.31Å; R193-E361 IonicContact NH2-OE1 2.61Å; R193-E361 PolarHBondContact NH2-OE1 3.48Å; R193-E361 VanDerWaalsContact NH2-OE1 3.14Å; R193-E361 IonicContact NH2-OE2 2.71Å; R193-E361 PolarHBondContact NH2-OE2 2.64Å
194D91.6Very high79.4Confident2 Ų256.7 Ų56.71%0.01130%0.298CS..Hα-helixtrans-63.3-30177.2-176.863.5000112.7V190 Y317 R350 N352 L353V190-D194 VanDerWaalsContact O-CB 3.31Å; V190-D194 WeakPolarHBondContact O-CB 3.48Å; V190-D194 PolarHBondContact O-N 2.92Å; D194-Y317 HydrophobicContact CB-CE1 3.78Å; D194-Y317 VanDerWaalsContact OD2-CE1 3.28Å; D194-Y317 WeakPolarHBondContact OD2-CE1 3.48Å; D194-Y317 PolarHBondContact OD2-OH 3.15Å; D194-R350 WeakPolarHBondContact OD1-CB 3.39Å; D194-R350 IonicContact OD1-CZ 3.67Å; D194-R350 IonicContact OD1-NE 3.24Å; D194-R350 PolarHBondContact OD1-NE 3.42Å; D194-R350 IonicContact OD1-NH2 2.73Å; D194-R350 IonicContact OD2-CZ 3.22Å; D194-R350 IonicContact OD2-NE 3.4Å; D194-R350 PolarHBondContact OD2-NE 2.9Å; D194-R350 IonicContact OD2-NH2 3.87Å; D194-R350 PolarHBondContact OD2-NH2 2.87Å; D194-N352 PolarHBondContact O-ND2 2.82Å; D194-L353 HydrophobicContact CB-CB 4.11Å; D194-L353 WeakPolarHBondContact OD1-CB 3.48Å
195N92.5Very high81.2Confident51 Ų5154.1 Ų54.127%0.27329%0.287SS..THydrogen-bonded Turntrans-94.65.1178.9-68.5-74.5000114.3A191 L192 R193 I197 L247 Y317A191-N195 PolarHBondContact O-ND2 3.22Å; L192-N195 PolarHBondContact O-N 3.21Å; R193-N195 PolarHBondContact O-N 2.96Å; N195-I197 VanDerWaalsContact C-N 3.31Å; N195-I197 HydrophobicContact CB-CD1 3.87Å; N195-I197 HydrophobicContact CB-CG1 4.09Å; N195-I197 PolarHBondContact O-N 2.8Å; N195-L247 WeakPolarHBondContact ND2-CD1 3.46Å; N195-Y317 PolarHBondContact ND2-OH 3.39Å
196Q91Very high82.3Confident146 Ų14659.7 Ų59.768%0.68231%0.312SS*.THydrogen-bonded Turntrans5543.7-177.3-61.5159.3109.600112.8L192 R193 N352L192-Q196 PolarHBondContact O-N 3.12Å; R193-Q196 PolarHBondContact O-N 3.34Å; Q196-N352 WeakPolarHBondContact CG-ND2 3.35Å; Q196-N352 PolarHBondContact NE2-ND2 3.49Å
197I87.4Confident82.5Confident25 Ų2564.7 Ų64.713%0.12834%0.335CS..  trans-94.1114.7172.6-57161.5000107.5L192 N195 F199 Y245L192-I197 HydrophobicContact CB-CB 4.42Å; L192-I197 HydrophobicContact CD2-CB 3.8Å; L192-I197 HydrophobicContact CD2-CD1 3.97Å; L192-I197 HydrophobicContact CD2-CG2 3.61Å; L192-I197 PolarHBondContact O-N 2.92Å; N195-I197 VanDerWaalsContact C-N 3.31Å; N195-I197 HydrophobicContact CB-CD1 3.87Å; N195-I197 HydrophobicContact CB-CG1 4.09Å; N195-I197 PolarHBondContact O-N 2.8Å; I197-F199 WeakPolarHBondContact O-CD1 3.32Å; I197-Y245 HydrophobicContact CD1-CD1 3.54Å; I197-Y245 HydrophobicContact CD1-CD2 3.63Å; I197-Y245 HydrophobicContact CD1-CE1 3.81Å; I197-Y245 HydrophobicContact CD1-CE2 3.91Å; I197-Y245 HydrophobicContact CD1-CG 3.44Å; I197-Y245 VanDerWaalsContact CD1-CG 3.44Å; I197-Y245 HydrophobicContact CG1-CD1 3.93Å; I197-Y245 HydrophobicContact CG1-CE1 3.86Å; I197-Y245 HydrophobicContact CG1-CG 4.34Å; I197-Y245 HydrophobicContact CG2-CE1 4.08Å; I197-Y245 HydrophobicContact CG2-CE2 4.26Å
198D87.8Confident82.8Confident163 Ų16367 Ų6787%0.87235%0.345SS*.  trans-66.7136.5176.5-66.6-39.9000111.3
199F87.9Confident83Confident62 Ų6269.1 Ų69.127%0.27235%0.352SS..  trans-157.8152.6176.873-73.7000111.5R189 L192 R193 I197 D201R189-F199 HydrophobicContact CB-CZ 4.16Å; R189-F199 HydrophobicContact CG-CE2 4.16Å; R189-F199 HydrophobicContact CG-CZ 4.09Å; L192-F199 HydrophobicContact CB-CD1 3.8Å; L192-F199 HydrophobicContact CB-CE1 3.75Å; L192-F199 HydrophobicContact CB-CZ 4.48Å; L192-F199 HydrophobicContact CD1-CB 4.2Å; L192-F199 HydrophobicContact CD1-CD1 3.73Å; L192-F199 HydrophobicContact CD1-CD2 3.87Å; L192-F199 HydrophobicContact CD1-CE1 4.01Å; L192-F199 HydrophobicContact CD1-CE2 4.13Å; L192-F199 HydrophobicContact CD1-CG 3.66Å; L192-F199 HydrophobicContact CD1-CZ 4.21Å; L192-F199 HydrophobicContact CG-CD1 4.32Å; R193-F199 HydrophobicContact CG-CE1 3.83Å; R193-F199 HydrophobicContact CG-CZ 4.34Å; I197-F199 WeakPolarHBondContact O-CD1 3.32Å; F199-D201 HydrophobicContact CD2-CB 4.24Å; F199-D201 HydrophobicContact CE2-CB 3.58Å; F199-D201 HydrophobicContact CZ-CB 4.14Å; F199-D201 PolarHBondContact O-N 2.87Å
200D83.3Confident82.8Confident164 Ų16470.5 Ų70.588%0.87737%0.368SS*.  trans-83.2107.2172.9-66.5-49.9000110.7H202D200-H202 PolarHBondContact O-N 3.15Å; D200-H202 VanDerWaalsContact O-N 3.08Å
201D82Confident83.1Confident47 Ų4776.8 Ų76.825%0.25140%0.397SS..  trans-81.880.2178.9-165.70.2000111.9R189 R193 F199 G203 R365R189-D201 WeakPolarHBondContact CD-OD2 3.33Å; R189-D201 IonicContact CZ-OD1 2.71Å; R189-D201 IonicContact CZ-OD2 3.26Å; R189-D201 IonicContact NE-OD1 3.2Å; R189-D201 PolarHBondContact NE-OD1 2.73Å; R189-D201 IonicContact NE-OD2 2.95Å; R189-D201 PolarHBondContact NE-OD2 2.91Å; R189-D201 IonicContact NH2-OD1 3Å; R189-D201 PolarHBondContact NH2-OD1 3.5Å; R189-D201 IonicContact NH2-OD2 2.74Å; R193-D201 IonicContact CZ-OD2 2.82Å; R193-D201 IonicContact NH1-OD2 3.59Å; R193-D201 PolarHBondContact NH1-OD2 2.86Å; R193-D201 VanDerWaalsContact NH1-OD2 3.08Å; R193-D201 IonicContact NH2-OD2 2.66Å; F199-D201 HydrophobicContact CD2-CB 4.24Å; F199-D201 HydrophobicContact CE2-CB 3.58Å; F199-D201 HydrophobicContact CZ-CB 4.14Å; F199-D201 PolarHBondContact O-N 2.87Å; D201-G203 PolarHBondContact O-N 3.33Å; D201-R365 IonicContact OD2-CZ 3.51Å; D201-R365 IonicContact OD2-NH1 2.86Å; D201-R365 IonicContact OD2-NH2 2.7Å; D201-R365 PolarHBondContact OD2-NH2 3.06Å
202H78.8Confident83.3Confident108 Ų10880.4 Ų80.450%0.541%0.411SS..  trans-88.4103.9-179.4-163.599.8000112.2D200 F204D200-H202 PolarHBondContact O-N 3.15Å; D200-H202 VanDerWaalsContact O-N 3.08Å; H202-F204 AromaticContact CD2-CD1 3.46Å; H202-F204 VanDerWaalsContact CD2-CD1 3.46Å; H202-F204 WeakPolarHBondContact CD2-CD1 2.94Å; H202-F204 AromaticContact CD2-CE1 3.17Å; H202-F204 WeakPolarHBondContact CD2-CE1 3.49Å; H202-F204 AromaticContact CD2-CZ 3.9Å; H202-F204 AromaticContact NE2-CD1 3.46Å; H202-F204 WeakPolarHBondContact NE2-CD1 3.46Å; H202-F204 AromaticContact NE2-CE1 3.36Å; H202-F204 WeakPolarHBondContact NE2-CE1 3.45Å
203G73.7Confident82.9Confident52 Ų5283.4 Ų83.454%0.53642%0.424SS..PPolyproline II helixtrans-88.9141.7163.900000111.2D201D201-G203 PolarHBondContact O-N 3.33Å
204F70.5Confident82.6Confident52 Ų5285.2 Ų85.223%0.22844%0.442CS..PPolyproline II helixtrans-95.6146.9175.3-54.7-63.1000111.1H202 E208 W209 W212 M216 V221H202-F204 AromaticContact CD2-CD1 3.46Å; H202-F204 VanDerWaalsContact CD2-CD1 3.46Å; H202-F204 WeakPolarHBondContact CD2-CD1 2.94Å; H202-F204 AromaticContact CD2-CE1 3.17Å; H202-F204 WeakPolarHBondContact CD2-CE1 3.49Å; H202-F204 AromaticContact CD2-CZ 3.9Å; H202-F204 AromaticContact NE2-CD1 3.46Å; H202-F204 WeakPolarHBondContact NE2-CD1 3.46Å; H202-F204 AromaticContact NE2-CE1 3.36Å; H202-F204 WeakPolarHBondContact NE2-CE1 3.45Å; F204-E208 HydrophobicContact CB-CB 4.24Å; F204-W209 HydrophobicContact CB-CB 4.14Å; F204-W209 AromaticContact CD2-CE3 3.63Å; F204-W209 HydrophobicContact CD2-CE3 3.63Å; F204-W209 HydrophobicContact CD2-CZ3 4.12Å; F204-W209 AromaticContact CE2-CE3 3.99Å; F204-W209 HydrophobicContact CE2-CE3 3.99Å; F204-W209 HydrophobicContact CE2-CZ3 4.04Å; F204-W209 HydrophobicContact CG-CE3 4.34Å; F204-W212 HydrophobicContact CD1-CB 4.28Å; F204-W212 AromaticContact CD1-CD1 3.49Å; F204-W212 VanDerWaalsContact CD1-CD1 3.49Å; F204-W212 HydrophobicContact CD1-CD2 4.31Å; F204-W212 AromaticContact CD1-CG 3.81Å; F204-W212 HydrophobicContact CD1-CG 3.81Å; F204-W212 AromaticContact CD1-NE1 3.79Å; F204-W212 HydrophobicContact CE1-CB 3.92Å; F204-W212 AromaticContact CE1-CD1 3.35Å; F204-W212 AromaticContact CE1-CD2 3.39Å; F204-W212 HydrophobicContact CE1-CD2 3.39Å; F204-W212 AromaticContact CE1-CE2 3.5Å; F204-W212 VanDerWaalsContact CE1-CE2 3.5Å; F204-W212 HydrophobicContact CE1-CE3 4.08Å; F204-W212 AromaticContact CE1-CG 3.3Å; F204-W212 HydrophobicContact CE1-CG 3.3Å; F204-W212 HydrophobicContact CE1-CZ2 4.24Å; F204-W212 AromaticContact CE1-NE1 3.45Å; F204-W212 HydrophobicContact CE2-CB 4.18Å; F204-W212 HydrophobicContact CE2-CG 4.41Å; F204-W212 HydrophobicContact CZ-CB 3.87Å; F204-W212 AromaticContact CZ-CD2 3.68Å; F204-W212 HydrophobicContact CZ-CD2 3.68Å; F204-W212 AromaticContact CZ-CE3 3.96Å; F204-W212 HydrophobicContact CZ-CE3 3.96Å; F204-W212 AromaticContact CZ-CG 3.66Å; F204-W212 HydrophobicContact CZ-CG 3.66Å; F204-M216 HydrophobicContact CE2-CE 3.91Å; F204-M216 HydrophobicContact CZ-CE 3.77Å; F204-V221 HydrophobicContact CD2-CG1 3.91Å; F204-V221 HydrophobicContact CE2-CG1 3.71Å
205S75.4Confident82.3Confident43 Ų4390 Ų9030%0.30146%0.463SS..PPolyproline II helixtrans-76.4168.1161.488.60000112.1E207 E208 W209S205-E207 WeakPolarHBondContact CB-OE2 3.25Å; S205-E207 PolarHBondContact O-N 2.9Å; S205-E207 PolarHBondContact OG-N 2.98Å; S205-E207 PolarHBondContact OG-OE2 2.94Å; S205-E208 PolarHBondContact N-OE2 3.26Å; S205-E208 PolarHBondContact O-N 2.96Å; S205-E208 PolarHBondContact OG-N 3.08Å; S205-W209 WeakPolarHBondContact O-CB 3.43Å; S205-W209 PolarHBondContact O-N 3.23Å
206D71.7Confident81.8Confident143 Ų14387.7 Ų87.777%0.76545%0.45SS*.THydrogen-bonded Turntrans-64.4-25.4175.3-75.8-35.3000112.5P210D206-P210 WeakPolarHBondContact O-CD 3.29Å
207E81.8Confident81.5Confident146 Ų14681.1 Ų81.168%0.68242%0.421SS*.THydrogen-bonded Turntrans-78.9-31.2173.8-54.281.3-177.300113S205S205-E207 WeakPolarHBondContact CB-OE2 3.25Å; S205-E207 PolarHBondContact O-N 2.9Å; S205-E207 PolarHBondContact OG-N 2.98Å; S205-E207 PolarHBondContact OG-OE2 2.94Å
208E82.6Confident81.1Confident78 Ų7880 Ų8036%0.36442%0.415SS..THydrogen-bonded Turntrans-82.2-39.4179-68.4179.5130.200112.6F204 S205 P210 Q211 W212F204-E208 HydrophobicContact CB-CB 4.24Å; S205-E208 PolarHBondContact N-OE2 3.26Å; S205-E208 PolarHBondContact O-N 2.96Å; S205-E208 PolarHBondContact OG-N 3.08Å; E208-P210 VanDerWaalsContact C-CD 3.5Å; E208-Q211 WeakPolarHBondContact O-CB 3.16Å; E208-Q211 PolarHBondContact O-N 3.38Å; E208-W212 PolarHBondContact O-N 2.99Å
209W82.5Confident80.8Confident58 Ų5872.3 Ų72.322%0.2238%0.375CS..Hα-helixtrans-55.7-40.3-172.9175.8-131000114.3F204 S205 Q211 W212 K213 M216 V221F204-W209 HydrophobicContact CB-CB 4.14Å; F204-W209 AromaticContact CD2-CE3 3.63Å; F204-W209 HydrophobicContact CD2-CE3 3.63Å; F204-W209 HydrophobicContact CD2-CZ3 4.12Å; F204-W209 AromaticContact CE2-CE3 3.99Å; F204-W209 HydrophobicContact CE2-CE3 3.99Å; F204-W209 HydrophobicContact CE2-CZ3 4.04Å; F204-W209 HydrophobicContact CG-CE3 4.34Å; S205-W209 WeakPolarHBondContact O-CB 3.43Å; S205-W209 PolarHBondContact O-N 3.23Å; W209-Q211 PolarHBondContact O-N 2.96Å; W209-Q211 VanDerWaalsContact O-N 3.12Å; W209-W212 HydrophobicContact CE3-CB 3.91Å; W209-W212 HydrophobicContact CZ3-CB 4.11Å; W209-W212 PolarHBondContact O-N 2.91Å; W209-K213 HydrophobicContact CD2-CB 4.19Å; W209-K213 HydrophobicContact CE3-CB 4.35Å; W209-K213 HydrophobicContact CH2-CB 3.97Å; W209-K213 HydrophobicContact CH2-CG 4.13Å; W209-K213 HydrophobicContact CZ2-CB 3.79Å; W209-K213 HydrophobicContact CZ2-CD 4.22Å; W209-K213 HydrophobicContact CZ2-CG 3.71Å; W209-K213 HydrophobicContact CZ3-CB 4.25Å; W209-K213 WeakPolarHBondContact O-CB 3.36Å; W209-K213 PolarHBondContact O-N 2.85Å; W209-M216 HydrophobicContact CH2-CG 3.92Å; W209-M216 HydrophobicContact CZ3-CE 4.41Å; W209-M216 HydrophobicContact CZ3-CG 3.94Å; W209-V221 HydrophobicContact CE3-CG1 4.29Å; W209-V221 HydrophobicContact CH2-CG1 3.97Å; W209-V221 HydrophobicContact CZ3-CG1 3.74Å
210P80.8Confident80.2Confident82 Ų8269.7 Ų69.753%0.53236%0.363SS..Hα-helixtrans-55.7-28.5173.6-28.136.2000114.5D206 E208 P214D206-P210 WeakPolarHBondContact O-CD 3.29Å; E208-P210 VanDerWaalsContact C-CD 3.5Å; P210-P214 VanDerWaalsContact O-CD 3.29Å; P210-P214 WeakPolarHBondContact O-CD 3.45Å
211Q87.7Confident80Confident132 Ų13264.8 Ų64.862%0.61734%0.339SS*.Hα-helixtrans-82.6-23.2177.6-50-177.636.600112.7E208 W209 K215E208-Q211 WeakPolarHBondContact O-CB 3.16Å; E208-Q211 PolarHBondContact O-N 3.38Å; W209-Q211 PolarHBondContact O-N 2.96Å; W209-Q211 VanDerWaalsContact O-N 3.12Å; Q211-K215 WeakPolarHBondContact O-CE 3.38Å; Q211-K215 PolarHBondContact O-NZ 3.12Å
212W83.8Confident80.2Confident79 Ų7963.5 Ų63.530%0.29933%0.333SS..Hα-helixtrans-96.4-29.7-179.7-78.498.4000113.4F204 E208 W209 K215 M216F204-W212 HydrophobicContact CD1-CB 4.28Å; F204-W212 AromaticContact CD1-CD1 3.49Å; F204-W212 VanDerWaalsContact CD1-CD1 3.49Å; F204-W212 HydrophobicContact CD1-CD2 4.31Å; F204-W212 AromaticContact CD1-CG 3.81Å; F204-W212 HydrophobicContact CD1-CG 3.81Å; F204-W212 AromaticContact CD1-NE1 3.79Å; F204-W212 HydrophobicContact CE1-CB 3.92Å; F204-W212 AromaticContact CE1-CD1 3.35Å; F204-W212 AromaticContact CE1-CD2 3.39Å; F204-W212 HydrophobicContact CE1-CD2 3.39Å; F204-W212 AromaticContact CE1-CE2 3.5Å; F204-W212 VanDerWaalsContact CE1-CE2 3.5Å; F204-W212 HydrophobicContact CE1-CE3 4.08Å; F204-W212 AromaticContact CE1-CG 3.3Å; F204-W212 HydrophobicContact CE1-CG 3.3Å; F204-W212 HydrophobicContact CE1-CZ2 4.24Å; F204-W212 AromaticContact CE1-NE1 3.45Å; F204-W212 HydrophobicContact CE2-CB 4.18Å; F204-W212 HydrophobicContact CE2-CG 4.41Å; F204-W212 HydrophobicContact CZ-CB 3.87Å; F204-W212 AromaticContact CZ-CD2 3.68Å; F204-W212 HydrophobicContact CZ-CD2 3.68Å; F204-W212 AromaticContact CZ-CE3 3.96Å; F204-W212 HydrophobicContact CZ-CE3 3.96Å; F204-W212 AromaticContact CZ-CG 3.66Å; F204-W212 HydrophobicContact CZ-CG 3.66Å; E208-W212 PolarHBondContact O-N 2.99Å; W209-W212 HydrophobicContact CE3-CB 3.91Å; W209-W212 HydrophobicContact CZ3-CB 4.11Å; W209-W212 PolarHBondContact O-N 2.91Å; W212-K215 HydrophobicContact CD2-CD 4.04Å; W212-K215 HydrophobicContact CE3-CD 3.56Å; W212-K215 HydrophobicContact CZ3-CD 4Å; W212-K215 WeakPolarHBondContact O-CA 3.31Å; W212-K215 VanDerWaalsContact O-CB 3.31Å; W212-K215 WeakPolarHBondContact O-CB 3.49Å; W212-K215 PolarHBondContact O-N 2.77Å; W212-M216 HydrophobicContact CB-CE 4.33Å; W212-M216 HydrophobicContact CE3-CE 3.81Å; W212-M216 PolarHBondContact O-N 2.99Å
213K79.6Confident80.4Confident66 Ų6659.9 Ų59.929%0.28732%0.32SS..G310 helixtrans-50.1-46.5178.5-171.1178-175.9-172.30113.4F181 W209 K215 M216 G219F181-K213 HydrophobicContact CE2-CD 4.47Å; F181-K213 VanDerWaalsContact CE2-CE 3.41Å; F181-K213 VanDerWaalsContact CG-CE 3.48Å; W209-K213 HydrophobicContact CD2-CB 4.19Å; W209-K213 HydrophobicContact CE3-CB 4.35Å; W209-K213 HydrophobicContact CH2-CB 3.97Å; W209-K213 HydrophobicContact CH2-CG 4.13Å; W209-K213 HydrophobicContact CZ2-CB 3.79Å; W209-K213 HydrophobicContact CZ2-CD 4.22Å; W209-K213 HydrophobicContact CZ2-CG 3.71Å; W209-K213 HydrophobicContact CZ3-CB 4.25Å; W209-K213 WeakPolarHBondContact O-CB 3.36Å; W209-K213 PolarHBondContact O-N 2.85Å; K213-K215 PolarHBondContact O-N 2.83Å; K213-M216 PolarHBondContact O-N 2.88Å; K213-G219 WeakPolarHBondContact CE-O 3.3Å; K213-G219 WeakPolarHBondContact CG-O 3.46Å; K213-G219 VanDerWaalsContact O-CA 3.3Å; K213-G219 WeakPolarHBondContact O-CA 3.05Å
214P82.7Confident81.1Confident90 Ų9058.6 Ų58.658%0.58430%0.301SS*.G310 helixtrans-65.1-24.8179.2-21.834.9000114.3K143 P210K143-P214 PolarHBondContact NZ-O 3.14Å; P210-P214 VanDerWaalsContact O-CD 3.29Å; P210-P214 WeakPolarHBondContact O-CD 3.45Å
215K84.5Confident81.8Confident103 Ų10361.7 Ų61.745%0.44831%0.312SS..G310 helixtrans-80-19.8-179-52.2173.3-173.6157.80112.9Q211 W212 K213 Q230Q211-K215 WeakPolarHBondContact O-CE 3.38Å; Q211-K215 PolarHBondContact O-NZ 3.12Å; W212-K215 HydrophobicContact CD2-CD 4.04Å; W212-K215 HydrophobicContact CE3-CD 3.56Å; W212-K215 HydrophobicContact CZ3-CD 4Å; W212-K215 WeakPolarHBondContact O-CA 3.31Å; W212-K215 VanDerWaalsContact O-CB 3.31Å; W212-K215 WeakPolarHBondContact O-CB 3.49Å; W212-K215 PolarHBondContact O-N 2.77Å; K213-K215 PolarHBondContact O-N 2.83Å; K215-Q230 PolarHBondContact O-NE2 2.95Å
216M83.3Confident82.4Confident2 Ų260.7 Ų60.71%0.0130%0.303CS..SBendtrans-80135.5175.4-55.9-50.4168.400109.6F204 W209 W212 K213 F218 G219 Q220 C223 V232F204-M216 HydrophobicContact CE2-CE 3.91Å; F204-M216 HydrophobicContact CZ-CE 3.77Å; W209-M216 HydrophobicContact CH2-CG 3.92Å; W209-M216 HydrophobicContact CZ3-CE 4.41Å; W209-M216 HydrophobicContact CZ3-CG 3.94Å; W212-M216 HydrophobicContact CB-CE 4.33Å; W212-M216 HydrophobicContact CE3-CE 3.81Å; W212-M216 PolarHBondContact O-N 2.99Å; K213-M216 PolarHBondContact O-N 2.88Å; M216-F218 PolarHBondContact O-N 3.3Å; M216-F218 VanDerWaalsContact O-N 3.12Å; M216-G219 PolarHBondContact O-N 2.92Å; M216-Q220 WeakPolarHBondContact CB-O 3.16Å; M216-Q220 WeakPolarHBondContact CG-O 3.29Å; M216-C223 HydrophobicContact CE-CB 4.22Å; M216-C223 HydrophobicContact SD-CB 3.49Å; M216-C223 WeakPolarHBondContact SD-CB 3.49Å; M216-C223 VanDerWaalsContact SD-SG 3.7Å; M216-V232 HydrophobicContact CB-CG1 4.29Å
217A83.2Confident83Confident8 Ų858 Ų587%0.06631%0.309CS..THydrogen-bonded Turntrans-50.3-43.2-176.200000112.3W100 H144 V232W100-A217 HydrophobicContact CZ3-CB 4.26Å; H144-A217 PolarHBondContact NE2-O 3.14Å; A217-V232 HydrophobicContact CB-CG1 4.05Å; A217-V232 HydrophobicContact CB-CG2 3.88Å
218F79.9Confident83Confident1 Ų154.5 Ų54.50%0.00431%0.312CS..THydrogen-bonded Turntrans-114.926174.7-56.6-49.4000114.1W100 Q103 V104 Q107 K140 L141 H144 F181 M216 Q220 V232 Q233W100-F218 HydrophobicContact CH2-CE1 4.08Å; W100-F218 HydrophobicContact CH2-CE2 4.39Å; W100-F218 AromaticContact CH2-CZ 3.66Å; W100-F218 HydrophobicContact CH2-CZ 3.66Å; W100-F218 HydrophobicContact CZ2-CZ 4.42Å; W100-F218 HydrophobicContact CZ3-CE2 4.45Å; W100-F218 HydrophobicContact CZ3-CZ 4.14Å; Q103-F218 HydrophobicContact CB-CE2 4.13Å; Q103-F218 WeakPolarHBondContact O-CE2 3.06Å; V104-F218 HydrophobicContact CG2-CZ 4.07Å; Q107-F218 HydrophobicContact CB-CD2 3.86Å; Q107-F218 HydrophobicContact CB-CE2 3.66Å; Q107-F218 HydrophobicContact CB-CG 4.42Å; Q107-F218 HydrophobicContact CB-CZ 4.05Å; Q107-F218 HydrophobicContact CG-CD1 4.16Å; Q107-F218 HydrophobicContact CG-CD2 4.04Å; Q107-F218 HydrophobicContact CG-CE1 4.2Å; Q107-F218 HydrophobicContact CG-CE2 4.1Å; Q107-F218 HydrophobicContact CG-CG 4.09Å; Q107-F218 HydrophobicContact CG-CZ 4.18Å; K140-F218 HydrophobicContact CB-CD1 3.96Å; K140-F218 HydrophobicContact CD-CB 4Å; K140-F218 VanDerWaalsContact CE-O 3.32Å; K140-F218 WeakPolarHBondContact CE-O 3.45Å; K140-F218 HydrophobicContact CG-CB 4.26Å; K140-F218 HydrophobicContact CG-CD1 4.4Å; L141-F218 HydrophobicContact CD2-CE1 4.2Å; L141-F218 HydrophobicContact CD2-CZ 4.43Å; H144-F218 AromaticContact CD2-CE1 3.59Å; F181-F218 WeakPolarHBondContact CD1-O 3.46Å; F181-F218 VanDerWaalsContact CE1-C 3.47Å; F181-F218 WeakPolarHBondContact CE1-O 3.25Å; M216-F218 PolarHBondContact O-N 3.3Å; M216-F218 VanDerWaalsContact O-N 3.12Å; F218-Q220 VanDerWaalsContact O-CG 3.29Å; F218-Q220 WeakPolarHBondContact O-CG 3.19Å; F218-Q220 PolarHBondContact O-N 3.28Å; F218-Q220 VanDerWaalsContact O-N 3.12Å; F218-Q220 PolarHBondContact O-OE1 3.02Å; F218-V232 HydrophobicContact CB-CG2 4.44Å; F218-V232 HydrophobicContact CD2-CG2 3.44Å; F218-V232 VanDerWaalsContact CD2-CG2 3.44Å; F218-V232 HydrophobicContact CE2-CG2 3.99Å; F218-V232 HydrophobicContact CG-CG2 4.2Å; F218-Q233 HydrophobicContact CD2-CG 3.98Å; F218-Q233 HydrophobicContact CE2-CG 4.36Å
219G81.9Confident83.2Confident3 Ų353.7 Ų53.73%0.03131%0.307CS..SBendtrans53.836174.500000115.7K213 M216K213-G219 WeakPolarHBondContact CE-O 3.3Å; K213-G219 WeakPolarHBondContact CG-O 3.46Å; K213-G219 VanDerWaalsContact O-CA 3.3Å; K213-G219 WeakPolarHBondContact O-CA 3.05Å; M216-G219 PolarHBondContact O-N 2.92Å
220Q75.1Confident83.5Confident6 Ų653.6 Ų53.63%0.02831%0.309CS..  trans-135.4149.6-176.3-71.2159.4-85.900109.4K140 P182 M216 F218K140-Q220 VanDerWaalsContact CE-OE1 3.24Å; P182-Q220 WeakPolarHBondContact O-CG 3.19Å; P182-Q220 PolarHBondContact O-NE2 3.17Å; M216-Q220 WeakPolarHBondContact CB-O 3.16Å; M216-Q220 WeakPolarHBondContact CG-O 3.29Å; F218-Q220 VanDerWaalsContact O-CG 3.29Å; F218-Q220 WeakPolarHBondContact O-CG 3.19Å; F218-Q220 PolarHBondContact O-N 3.28Å; F218-Q220 VanDerWaalsContact O-N 3.12Å; F218-Q220 PolarHBondContact O-OE1 3.02Å
221V79Confident83.9Confident61 Ų6149.7 Ų49.737%0.3728%0.284SS..SBendtrans-93.4153.6154.4-73.30000109.2L184 F204 W209L184-V221 PolarHBondContact N-O 3.27Å; F204-V221 HydrophobicContact CD2-CG1 3.91Å; F204-V221 HydrophobicContact CE2-CG1 3.71Å; W209-V221 HydrophobicContact CE3-CG1 4.29Å; W209-V221 HydrophobicContact CH2-CG1 3.97Å; W209-V221 HydrophobicContact CZ3-CG1 3.74Å
222P85.4Confident83.9Confident20 Ų2043.4 Ų43.413%0.1326%0.255CS..  cis-79.9162.31.933.1-37.3000113.2L184 I188 I237L184-P222 VanDerWaalsContact C-CD 3.47Å; L184-P222 WeakPolarHBondContact O-CD 3.49Å; I188-P222 HydrophobicContact CD1-CB 3.69Å; I188-P222 HydrophobicContact CD1-CG 3.44Å; I188-P222 VanDerWaalsContact CD1-CG 3.44Å; P222-I237 HydrophobicContact CB-CD1 3.97Å; P222-I237 HydrophobicContact CG-CD1 3.83Å
223C83.9Confident83.9Confident32 Ų3240 Ų4022%0.21624%0.242CC..EExtended strand (participates in β ladder)trans-138.2123.4170.1-176.20000108.2M216 Q230 I231 V232M216-C223 HydrophobicContact CE-CB 4.22Å; M216-C223 HydrophobicContact SD-CB 3.49Å; M216-C223 WeakPolarHBondContact SD-CB 3.49Å; M216-C223 VanDerWaalsContact SD-SG 3.7Å; C223-Q230 WeakPolarHBondContact SG-CG 3.46Å; C223-I231 CarbonylContact C-O 3.6Å; C223-I231 WeakPolarHBondContact CA-O 3.25Å; C223-V232 HydrophobicContact CB-CG1 4.09Å
224L87.2Confident84.2Confident25 Ų2537.5 Ų37.513%0.13123%0.233CC..EExtended strand (participates in β ladder)trans-90.7139.8165.8176.864.2000108.4D226 I231 I237 L241L224-D226 HydrophobicContact CD2-CB 4.25Å; L224-D226 HydrophobicContact CG-CB 4.23Å; L224-I231 HydrophobicContact CB-CB 4.44Å; L224-I231 PolarHBondContact N-O 2.73Å; L224-I231 PolarHBondContact O-N 3.06Å; L224-I237 HydrophobicContact CB-CD1 4.17Å; L224-I237 HydrophobicContact CB-CG1 4.09Å; L224-I237 HydrophobicContact CB-CG2 3.79Å; L224-I237 HydrophobicContact CD2-CG2 3.89Å; L224-I237 HydrophobicContact CG-CG2 4.44Å; L224-L241 HydrophobicContact CD2-CD2 4.04Å; L224-L241 HydrophobicContact CD2-CG 4.42Å
225Y86.8Confident84.4Confident118 Ų11833.2 Ų33.246%0.46321%0.205SC..EExtended strand (participates in β ladder)trans-113119.2163.1-71.4-85.2000107.9K229 Q230Y225-K229 WeakPolarHBondContact CA-O 3.31Å; Y225-Q230 HydrophobicContact CD1-CB 4.19Å; Y225-Q230 HydrophobicContact CD1-CG 4.26Å; Y225-Q230 HydrophobicContact CE1-CB 3.89Å; Y225-Q230 HydrophobicContact CE1-CG 3.69Å; Y225-Q230 PolarHBondContact OH-NE2 2.68Å
226D86.7Confident84.6Confident21 Ų2128.3 Ų28.311%0.11218%0.184CC..EExtended strand (participates in β ladder)trans-134.1118.4-177.8-169.8-25.7000110L224 G228 K229 R244L224-D226 HydrophobicContact CD2-CB 4.25Å; L224-D226 HydrophobicContact CG-CB 4.23Å; D226-G228 PolarHBondContact O-N 3.31Å; D226-K229 PolarHBondContact N-O 3.4Å; D226-K229 WeakPolarHBondContact O-CA 3.49Å; D226-K229 WeakPolarHBondContact O-CB 3.41Å; D226-K229 PolarHBondContact O-N 3.02Å; D226-R244 VanDerWaalsContact CG-NH2 3.34Å; D226-R244 IonicContact OD1-CZ 2.71Å; D226-R244 IonicContact OD1-NH1 3.98Å; D226-R244 PolarHBondContact OD1-NH1 3.47Å; D226-R244 IonicContact OD1-NH2 2.68Å; D226-R244 PolarHBondContact OD1-NH2 2.8Å; D226-R244 WeakPolarHBondContact OD2-CD 3.21Å; D226-R244 IonicContact OD2-CZ 2.98Å; D226-R244 IonicContact OD2-NE 3.24Å; D226-R244 PolarHBondContact OD2-NE 3.22Å; D226-R244 IonicContact OD2-NH1 2.72Å; D226-R244 PolarHBondContact OD2-NH1 2.66Å; D226-R244 IonicContact OD2-NH2 2.73Å; D226-R244 PolarHBondContact OD2-NH2 3.27Å; D226-R244 VanDerWaalsContact OD2-NH2 3.16Å
227G84.8Confident85Confident87 Ų8728.3 Ų28.390%0.89718%0.184SC*.THydrogen-bonded Turntrans59.219.9-176.800000114.2
228G82.6Confident85.5Confident72 Ų7227.9 Ų27.974%0.74218%0.18SC*.THydrogen-bonded Turntrans88.5-8.2-171.300000115D226D226-G228 PolarHBondContact O-N 3.31Å
229K86.8Confident86.1Confident62 Ų6227.9 Ų27.927%0.2718%0.18SC..EExtended strand (participates in β ladder)trans-75.4125.8172.4-166.5177.5-170.1175.20109.7D96 D99 Y225 D226 I231D96-K229 PolarHBondContact O-NZ 3.16Å; D99-K229 IonicContact OD2-NZ 3.1Å; D99-K229 PolarHBondContact OD2-NZ 2.95Å; Y225-K229 WeakPolarHBondContact CA-O 3.31Å; D226-K229 PolarHBondContact N-O 3.4Å; D226-K229 WeakPolarHBondContact O-CA 3.49Å; D226-K229 WeakPolarHBondContact O-CB 3.41Å; D226-K229 PolarHBondContact O-N 3.02Å; K229-I231 HydrophobicContact CD-CD1 4.28Å; K229-I231 HydrophobicContact CD-CG1 4.38Å; K229-I231 HydrophobicContact CG-CG1 4.19Å
230Q88.8Confident86.7Confident56 Ų5629.1 Ų29.126%0.26219%0.185SC..EExtended strand (participates in β ladder)trans-83.4130170.3-167.4-178.138.900109.6K215 C223 Y225K215-Q230 PolarHBondContact O-NE2 2.95Å; C223-Q230 WeakPolarHBondContact SG-CG 3.46Å; Y225-Q230 HydrophobicContact CD1-CB 4.19Å; Y225-Q230 HydrophobicContact CD1-CG 4.26Å; Y225-Q230 HydrophobicContact CE1-CB 3.89Å; Y225-Q230 HydrophobicContact CE1-CG 3.69Å; Y225-Q230 PolarHBondContact OH-NE2 2.68Å
231I88.1Confident87.5Confident0 Ų029 Ų290%019%0.185CC..EExtended strand (participates in β ladder)trans-132105.4175.1-51.3179.2000107.8D99 Q103 C223 L224 K229 I237 H240D99-I231 HydrophobicContact CB-CD1 4.17Å; Q103-I231 HydrophobicContact CG-CG2 4.23Å; C223-I231 CarbonylContact C-O 3.6Å; C223-I231 WeakPolarHBondContact CA-O 3.25Å; L224-I231 HydrophobicContact CB-CB 4.44Å; L224-I231 PolarHBondContact N-O 2.73Å; L224-I231 PolarHBondContact O-N 3.06Å; K229-I231 HydrophobicContact CD-CD1 4.28Å; K229-I231 HydrophobicContact CD-CG1 4.38Å; K229-I231 HydrophobicContact CG-CG1 4.19Å; I231-I237 HydrophobicContact CB-CG1 4.25Å; I231-I237 HydrophobicContact CG2-CG1 3.73Å; I231-I237 VanDerWaalsContact O-CD1 3.25Å; I231-I237 WeakPolarHBondContact O-CD1 3.24Å; I231-I237 VanDerWaalsContact O-CG1 3.26Å; I231-I237 WeakPolarHBondContact O-CG1 3.42Å; I231-H240 HydrophobicContact CD1-CB 3.93Å; I231-H240 WeakPolarHBondContact CD1-ND1 3.26Å
232V87.8Confident88.2Confident0 Ų026.1 Ų26.10%017%0.167CC..EExtended strand (participates in β ladder)trans-88.5-171.8169.8-58.20000110.5Q103 M216 A217 F218 C223Q103-V232 HydrophobicContact CG-CG2 4.23Å; Q103-V232 VanDerWaalsContact CG-O 3.22Å; Q103-V232 WeakPolarHBondContact CG-O 3.39Å; M216-V232 HydrophobicContact CB-CG1 4.29Å; A217-V232 HydrophobicContact CB-CG1 4.05Å; A217-V232 HydrophobicContact CB-CG2 3.88Å; F218-V232 HydrophobicContact CB-CG2 4.44Å; F218-V232 HydrophobicContact CD2-CG2 3.44Å; F218-V232 VanDerWaalsContact CD2-CG2 3.44Å; F218-V232 HydrophobicContact CE2-CG2 3.99Å; F218-V232 HydrophobicContact CG-CG2 4.2Å; C223-V232 HydrophobicContact CB-CG1 4.09Å
233Q83Confident88.6Confident8 Ų828.6 Ų28.64%0.03717%0.174CC..SBendtrans61.8114.2176.6-84.6-68100114.2Q103 E106 Q107 D110 F218 G235 A236 I237Q103-Q233 HydrophobicContact CG-CB 4.43Å; E106-Q233 HydrophobicContact CB-CB 4.03Å; E106-Q233 HydrophobicContact CB-CG 4.13Å; Q107-Q233 HydrophobicContact CB-CG 4.31Å; D110-Q233 PolarHBondContact OD2-NE2 3.21Å; D110-Q233 PolarHBondContact OD2-OE1 2.95Å; F218-Q233 HydrophobicContact CD2-CG 3.98Å; F218-Q233 HydrophobicContact CE2-CG 4.36Å; Q233-G235 VanDerWaalsContact C-N 3.3Å; Q233-G235 PolarHBondContact O-N 3Å; Q233-A236 HydrophobicContact CB-CB 4.25Å; Q233-A236 WeakPolarHBondContact O-CA 3.33Å; Q233-A236 WeakPolarHBondContact O-CB 3.3Å; Q233-A236 PolarHBondContact O-N 2.96Å; Q233-I237 PolarHBondContact O-N 2.81Å
234S86.6Confident89Confident13 Ų1332.9 Ų32.99%0.09119%0.186CC..Hα-helixtrans-64.6-33-166.759.50000113.6L184 M187 A236 M238L184-S234 VanDerWaalsContact O-CB 3.3Å; L184-S234 WeakPolarHBondContact O-CB 3.35Å; L184-S234 PolarHBondContact O-OG 3.17Å; M187-S234 VanDerWaalsContact CE-CB 3.49Å; M187-S234 WeakPolarHBondContact CE-OG 3.4Å; S234-A236 VanDerWaalsContact C-N 3.31Å; S234-A236 PolarHBondContact O-N 3.25Å; S234-M238 WeakPolarHBondContact O-CB 3.48Å; S234-M238 VanDerWaalsContact O-CG 3.24Å; S234-M238 WeakPolarHBondContact O-CG 3.23Å; S234-M238 PolarHBondContact O-N 3.17Å
235G87Confident89.3Confident0 Ų035.6 Ų35.60%020%0.195CC..Hα-helixtrans-69.3-21.5171.700000115.3Q233 R239 Y261Q233-G235 VanDerWaalsContact C-N 3.3Å; Q233-G235 PolarHBondContact O-N 3Å; G235-R239 WeakPolarHBondContact O-CD 3.32Å; G235-R239 VanDerWaalsContact O-CG 3.25Å; G235-R239 WeakPolarHBondContact O-CG 3.4Å; G235-R239 PolarHBondContact O-NH1 2.94Å; G235-Y261 WeakPolarHBondContact CA-OH 3.27Å
236A88.7Confident89.6Confident0 Ų035.9 Ų35.90%020%0.204CC..Hα-helixtrans-88.4-41.4174.600000111.3D102 Q103 Q233 S234 M238 R239 H240D102-A236 HydrophobicContact CB-CB 3.73Å; Q103-A236 HydrophobicContact CB-CB 4.28Å; Q103-A236 HydrophobicContact CG-CB 3.65Å; Q233-A236 HydrophobicContact CB-CB 4.25Å; Q233-A236 WeakPolarHBondContact O-CA 3.33Å; Q233-A236 WeakPolarHBondContact O-CB 3.3Å; Q233-A236 PolarHBondContact O-N 2.96Å; S234-A236 VanDerWaalsContact C-N 3.31Å; S234-A236 PolarHBondContact O-N 3.25Å; A236-M238 PolarHBondContact O-N 3.36Å; A236-R239 PolarHBondContact O-N 3.03Å; A236-H240 PolarHBondContact O-N 3.29Å
237I91.8Very high90Very high1 Ų135.4 Ų35.41%0.00520%0.202CC..Hα-helixtrans-59.4-46.9173.3-61166.9000110.6I188 P222 L224 I231 Q233 R239 H240 L241I188-I237 HydrophobicContact CD1-CB 3.85Å; I188-I237 HydrophobicContact CD1-CD1 3.69Å; I188-I237 HydrophobicContact CD1-CG1 4.39Å; I188-I237 HydrophobicContact CD1-CG2 3.71Å; I188-I237 HydrophobicContact CG1-CB 4.22Å; I188-I237 HydrophobicContact CG1-CG2 3.82Å; I188-I237 HydrophobicContact CG2-CG2 3.88Å; P222-I237 HydrophobicContact CB-CD1 3.97Å; P222-I237 HydrophobicContact CG-CD1 3.83Å; L224-I237 HydrophobicContact CB-CD1 4.17Å; L224-I237 HydrophobicContact CB-CG1 4.09Å; L224-I237 HydrophobicContact CB-CG2 3.79Å; L224-I237 HydrophobicContact CD2-CG2 3.89Å; L224-I237 HydrophobicContact CG-CG2 4.44Å; I231-I237 HydrophobicContact CB-CG1 4.25Å; I231-I237 HydrophobicContact CG2-CG1 3.73Å; I231-I237 VanDerWaalsContact O-CD1 3.25Å; I231-I237 WeakPolarHBondContact O-CD1 3.24Å; I231-I237 VanDerWaalsContact O-CG1 3.26Å; I231-I237 WeakPolarHBondContact O-CG1 3.42Å; Q233-I237 PolarHBondContact O-N 2.81Å; I237-R239 VanDerWaalsContact C-N 3.3Å; I237-R239 PolarHBondContact O-N 2.92Å; I237-H240 WeakPolarHBondContact O-CB 2.97Å; I237-H240 PolarHBondContact O-N 3.43Å; I237-L241 HydrophobicContact CG2-CD1 4.2Å; I237-L241 HydrophobicContact CG2-CG 4.46Å; I237-L241 WeakPolarHBondContact O-CG 3.48Å; I237-L241 PolarHBondContact O-N 2.9Å
238M92.7Very high90.5Very high0 Ų031.7 Ų31.70%016%0.161CC..Hα-helixtrans-58.8-42.6177-71.7-65.1-79.400111.2M187 I188 A191 S234 A236 L241 G242 Y261 I314M187-M238 HydrophobicContact CB-CE 4.26Å; M187-M238 HydrophobicContact CB-SD 4.46Å; M187-M238 HydrophobicContact CE-CG 4.32Å; M187-M238 HydrophobicContact CG-CE 4.13Å; M187-M238 HydrophobicContact CG-CG 3.97Å; M187-M238 HydrophobicContact CG-SD 3.93Å; M187-M238 HydrophobicContact SD-CE 4.49Å; M187-M238 HydrophobicContact SD-CG 4.07Å; I188-M238 HydrophobicContact CB-SD 4.34Å; I188-M238 HydrophobicContact CG1-CG 4.09Å; I188-M238 HydrophobicContact CG1-SD 3.83Å; A191-M238 HydrophobicContact CB-CE 4.02Å; A191-M238 HydrophobicContact CB-SD 4.21Å; S234-M238 WeakPolarHBondContact O-CB 3.48Å; S234-M238 VanDerWaalsContact O-CG 3.24Å; S234-M238 WeakPolarHBondContact O-CG 3.23Å; S234-M238 PolarHBondContact O-N 3.17Å; A236-M238 PolarHBondContact O-N 3.36Å; M238-L241 PolarHBondContact O-N 3.49Å; M238-G242 PolarHBondContact O-N 3.43Å; M238-Y261 HydrophobicContact CB-CE2 3.91Å; M238-Y261 HydrophobicContact CE-CE2 4.43Å; M238-Y261 HydrophobicContact CG-CE2 4.04Å; M238-I314 HydrophobicContact CB-CB 4.37Å; M238-I314 HydrophobicContact CB-CD1 4.17Å; M238-I314 HydrophobicContact CE-CB 4.05Å; M238-I314 VanDerWaalsContact O-CG2 3.25Å; M238-I314 WeakPolarHBondContact O-CG2 3.44Å
239R94.4Very high91Very high0 Ų029 Ų290%013%0.133CC..Hα-helixtrans-68.9-36177.8-72177.3175.5103.6-7113.6R83 E106 G235 A236 I237 G242 R243 Y248 D258 E262 I314R83-R239 VanDerWaalsContact CZ-NH1 3.28Å; R83-R239 VanDerWaalsContact NH1-NH2 3.14Å; E106-R239 IonicContact OE1-CZ 2.75Å; E106-R239 IonicContact OE1-NH1 2.76Å; E106-R239 PolarHBondContact OE1-NH1 3.14Å; G235-R239 WeakPolarHBondContact O-CD 3.32Å; G235-R239 VanDerWaalsContact O-CG 3.25Å; G235-R239 WeakPolarHBondContact O-CG 3.4Å; G235-R239 PolarHBondContact O-NH1 2.94Å; A236-R239 PolarHBondContact O-N 3.03Å; I237-R239 VanDerWaalsContact C-N 3.3Å; I237-R239 PolarHBondContact O-N 2.92Å; R239-G242 PolarHBondContact O-N 3Å; R239-R243 WeakPolarHBondContact O-CG 3.49Å; R239-R243 PolarHBondContact O-N 3.38Å; R239-Y248 HydrophobicContact CG-CE2 3.93Å; R239-D258 IonicContact CZ-OD1 2.78Å; R239-D258 IonicContact NE-OD1 3.24Å; R239-D258 PolarHBondContact NE-OD1 3.38Å; R239-D258 IonicContact NH2-OD1 2.81Å; R239-D258 PolarHBondContact NH2-OD1 3.21Å; R239-E262 IonicContact CZ-OE1 3.83Å; R239-E262 IonicContact NH1-OE1 3.08Å; R239-E262 PolarHBondContact NH1-OE1 3.34Å; R239-E262 IonicContact NH2-OE1 3.79Å; R239-E262 PolarHBondContact NH2-OE1 2.89Å; R239-I314 HydrophobicContact CG-CD1 3.68Å
240H92.9Very high91.3Very high29 Ų2928.1 Ų28.113%0.13413%0.134CC..Hα-helixtrans-58.9-50.6170.4179.277.9000111.3D99 I231 A236 I237 G242 R243 R244D99-H240 WeakPolarHBondContact OD1-CB 3.34Å; D99-H240 IonicContact OD1-CE1 2.73Å; D99-H240 PolarHBondContact OD1-CE1 3.29Å; D99-H240 IonicContact OD1-CG 3.01Å; D99-H240 IonicContact OD1-ND1 2.8Å; D99-H240 PolarHBondContact OD1-ND1 2.85Å; D99-H240 IonicContact OD2-CE1 2.76Å; D99-H240 PolarHBondContact OD2-CE1 2.79Å; D99-H240 IonicContact OD2-CG 2.97Å; D99-H240 IonicContact OD2-ND1 2.88Å; D99-H240 PolarHBondContact OD2-ND1 3.1Å; D99-H240 IonicContact OD2-NE2 2.77Å; D99-H240 PolarHBondContact OD2-NE2 3.02Å; I231-H240 HydrophobicContact CD1-CB 3.93Å; I231-H240 WeakPolarHBondContact CD1-ND1 3.26Å; A236-H240 PolarHBondContact O-N 3.29Å; I237-H240 WeakPolarHBondContact O-CB 2.97Å; I237-H240 PolarHBondContact O-N 3.43Å; H240-G242 VanDerWaalsContact C-N 3.3Å; H240-G242 PolarHBondContact O-N 3.11Å; H240-R243 PolarHBondContact O-N 2.89Å; H240-R244 VanDerWaalsContact O-CB 3.28Å; H240-R244 WeakPolarHBondContact O-CB 3.25Å; H240-R244 PolarHBondContact O-N 3.05Å
241L92.3Very high91.5Very high4 Ų429.9 Ų29.92%0.02115%0.151CC..Hα-helixtrans-62.8-37.3175.8-64.5177.6000112I188 L192 L224 I237 M238 R244 Y245I188-L241 HydrophobicContact CG2-CD1 3.95Å; L192-L241 HydrophobicContact CD1-CD1 4.36Å; L192-L241 HydrophobicContact CD2-CD1 3.79Å; L192-L241 HydrophobicContact CD2-CD2 3.78Å; L192-L241 HydrophobicContact CD2-CG 4.44Å; L192-L241 HydrophobicContact CG-CD1 3.91Å; L224-L241 HydrophobicContact CD2-CD2 4.04Å; L224-L241 HydrophobicContact CD2-CG 4.42Å; I237-L241 HydrophobicContact CG2-CD1 4.2Å; I237-L241 HydrophobicContact CG2-CG 4.46Å; I237-L241 WeakPolarHBondContact O-CG 3.48Å; I237-L241 PolarHBondContact O-N 2.9Å; M238-L241 PolarHBondContact O-N 3.49Å; L241-R244 PolarHBondContact O-N 3.01Å; L241-Y245 HydrophobicContact CB-CD2 4.44Å; L241-Y245 HydrophobicContact CD2-CD2 3.89Å; L241-Y245 HydrophobicContact CD2-CE2 3.68Å; L241-Y245 WeakPolarHBondContact O-CB 3.26Å; L241-Y245 PolarHBondContact O-N 2.79Å
242G93.4Very high91.6Very high0 Ų036 Ų360%018%0.18CC..Hα-helixtrans-53-54.5171.100000112.5M238 R239 H240 N246 L247M238-G242 PolarHBondContact O-N 3.43Å; R239-G242 PolarHBondContact O-N 3Å; H240-G242 VanDerWaalsContact C-N 3.3Å; H240-G242 PolarHBondContact O-N 3.11Å; G242-N246 WeakPolarHBondContact O-CA 3.37Å; G242-N246 PolarHBondContact O-N 2.98Å; G242-L247 PolarHBondContact O-N 3.12Å
243R94.1Very high91.9Very high72 Ų7238.7 Ų38.727%0.27219%0.192SC..Hα-helixtrans-62.3-48.8176.9-71.6-178.5-78.5-98.97.8111.9D99 D102 R239 H240 Y248D99-R243 IonicContact OD1-CZ 2.67Å; D99-R243 IonicContact OD1-NE 2.89Å; D99-R243 PolarHBondContact OD1-NE 3.21Å; D99-R243 IonicContact OD1-NH2 2.7Å; D99-R243 PolarHBondContact OD1-NH2 3.14Å; D102-R243 IonicContact OD2-CZ 3.17Å; D102-R243 VanDerWaalsContact OD2-CZ 3.24Å; D102-R243 IonicContact OD2-NH1 4Å; D102-R243 PolarHBondContact OD2-NH1 3.42Å; D102-R243 IonicContact OD2-NH2 2.89Å; D102-R243 PolarHBondContact OD2-NH2 2.8Å; R239-R243 WeakPolarHBondContact O-CG 3.49Å; R239-R243 PolarHBondContact O-N 3.38Å; H240-R243 PolarHBondContact O-N 2.89Å; R243-Y248 HydrophobicContact CG-CD1 4.46Å
244R92.2Very high92.5Very high123 Ų12340.6 Ų40.646%0.46420%0.201SC..Hα-helixtrans-71.5-37.2-171.3-177.3173.6172.2131.6-19.5114.3D226 H240 L241D226-R244 VanDerWaalsContact CG-NH2 3.34Å; D226-R244 IonicContact OD1-CZ 2.71Å; D226-R244 IonicContact OD1-NH1 3.98Å; D226-R244 PolarHBondContact OD1-NH1 3.47Å; D226-R244 IonicContact OD1-NH2 2.68Å; D226-R244 PolarHBondContact OD1-NH2 2.8Å; D226-R244 WeakPolarHBondContact OD2-CD 3.21Å; D226-R244 IonicContact OD2-CZ 2.98Å; D226-R244 IonicContact OD2-NE 3.24Å; D226-R244 PolarHBondContact OD2-NE 3.22Å; D226-R244 IonicContact OD2-NH1 2.72Å; D226-R244 PolarHBondContact OD2-NH1 2.66Å; D226-R244 IonicContact OD2-NH2 2.73Å; D226-R244 PolarHBondContact OD2-NH2 3.27Å; D226-R244 VanDerWaalsContact OD2-NH2 3.16Å; H240-R244 VanDerWaalsContact O-CB 3.28Å; H240-R244 WeakPolarHBondContact O-CB 3.25Å; H240-R244 PolarHBondContact O-N 3.05Å; L241-R244 PolarHBondContact O-N 3.01Å
245Y93.5Very high92.9Very high82 Ų8240.3 Ų40.332%0.32220%0.199SC..THydrogen-bonded Turntrans-111.114.2-174.7-62.5-80.1000113.4I197 L241 L247I197-Y245 HydrophobicContact CD1-CD1 3.54Å; I197-Y245 HydrophobicContact CD1-CD2 3.63Å; I197-Y245 HydrophobicContact CD1-CE1 3.81Å; I197-Y245 HydrophobicContact CD1-CE2 3.91Å; I197-Y245 HydrophobicContact CD1-CG 3.44Å; I197-Y245 VanDerWaalsContact CD1-CG 3.44Å; I197-Y245 HydrophobicContact CG1-CD1 3.93Å; I197-Y245 HydrophobicContact CG1-CE1 3.86Å; I197-Y245 HydrophobicContact CG1-CG 4.34Å; I197-Y245 HydrophobicContact CG2-CE1 4.08Å; I197-Y245 HydrophobicContact CG2-CE2 4.26Å; L241-Y245 HydrophobicContact CB-CD2 4.44Å; L241-Y245 HydrophobicContact CD2-CD2 3.89Å; L241-Y245 HydrophobicContact CD2-CE2 3.68Å; L241-Y245 WeakPolarHBondContact O-CB 3.26Å; L241-Y245 PolarHBondContact O-N 2.79Å; Y245-L247 VanDerWaalsContact C-N 3.33Å; Y245-L247 PolarHBondContact O-N 3.37Å
246N93.3Very high93.4Very high124 Ų12442.8 Ų42.866%0.66321%0.208SC*.THydrogen-bonded Turntrans5742.9179.5-168.877.8000113.1G242G242-N246 WeakPolarHBondContact O-CA 3.37Å; G242-N246 PolarHBondContact O-N 2.98Å
247L95.1Very high93.8Very high11 Ų1142.8 Ų42.86%0.05821%0.209CC..  trans-10521.8177.8-53.4173.3000112N195 G242 Y245 T313 I314 Y317N195-L247 WeakPolarHBondContact ND2-CD1 3.46Å; G242-L247 PolarHBondContact O-N 3.12Å; Y245-L247 VanDerWaalsContact C-N 3.33Å; Y245-L247 PolarHBondContact O-N 3.37Å; L247-T313 CarbonylContact O-C 3.12Å; L247-T313 WeakPolarHBondContact O-CA 3.11Å; L247-T313 VanDerWaalsContact O-CB 3.26Å; L247-T313 WeakPolarHBondContact O-CB 3.43Å; L247-I314 HydrophobicContact CB-CG2 4.24Å; L247-I314 PolarHBondContact O-N 2.93Å; L247-Y317 HydrophobicContact CD1-CE2 4.26Å
248Y94.6Very high94Very high8 Ų842.8 Ų42.83%0.03121%0.208CC..SBendtrans-113.69.2-173.2-148.8-141.9000114R87 R239 R243 M254 V257 D258 I314R87-Y248 PolarHBondContact NH1-OH 3.2Å; R239-Y248 HydrophobicContact CG-CE2 3.93Å; R243-Y248 HydrophobicContact CG-CD1 4.46Å; Y248-M254 HydrophobicContact CD1-CB 4.45Å; Y248-M254 HydrophobicContact CD1-CE 4.19Å; Y248-M254 HydrophobicContact CD1-CG 3.75Å; Y248-M254 HydrophobicContact CD1-SD 3.85Å; Y248-M254 HydrophobicContact CE1-CB 4.43Å; Y248-M254 HydrophobicContact CE1-CG 4.17Å; Y248-M254 HydrophobicContact CE1-SD 4.21Å; Y248-M254 HydrophobicContact CG-CG 4.34Å; Y248-M254 WeakPolarHBondContact O-CG 3.39Å; Y248-V257 HydrophobicContact CD2-CG1 3.88Å; Y248-V257 HydrophobicContact CE2-CG1 4.18Å; Y248-D258 PolarHBondContact OH-OD1 3.38Å; Y248-D258 PolarHBondContact OH-OD2 3Å; Y248-I314 HydrophobicContact CD2-CD1 3.84Å; Y248-I314 HydrophobicContact CD2-CG1 4.02Å; Y248-I314 HydrophobicContact CE2-CD1 3.66Å; Y248-I314 HydrophobicContact CE2-CG1 4.25Å
249G93.4Very high94.2Very high15 Ų1543 Ų4316%0.15521%0.21CC..  trans76.3-178.6-174.100000113.4E253G249-E253 WeakPolarHBondContact CA-OE2 3.28Å
250S94.6Very high94.3Very high44 Ų4443 Ų4331%0.30821%0.21SC..  trans-71.3165.6166.582.70000111.3E252 E253 M254S250-E252 WeakPolarHBondContact CB-OE2 3.2Å; S250-E252 PolarHBondContact O-N 3.22Å; S250-E252 VanDerWaalsContact O-N 3.13Å; S250-E252 PolarHBondContact OG-OE2 2.74Å; S250-E253 PolarHBondContact N-OE2 2.78Å; S250-E253 WeakPolarHBondContact O-CA 3.45Å; S250-E253 WeakPolarHBondContact O-CB 3.44Å; S250-E253 PolarHBondContact O-N 2.84Å; S250-E253 WeakPolarHBondContact OG-CG 3.36Å; S250-M254 WeakPolarHBondContact O-CG 3.49Å; S250-M254 PolarHBondContact O-N 3.44Å
251P91.2Very high94.4Very high93 Ų9341.8 Ų41.860%0.60420%0.204SC*.THydrogen-bonded Turntrans-53.7-33.4177.9-27.336.6000114.1E253P251-E253 VanDerWaalsContact C-N 3.32Å
252E91Very high94.4Very high130 Ų13041.6 Ų41.661%0.60720%0.203SC*.THydrogen-bonded Turntrans-69.5-31.4177.1-56.172.8-156.900112.3K73 S250K73-E252 PolarHBondContact NZ-O 2.97Å; S250-E252 WeakPolarHBondContact CB-OE2 3.2Å; S250-E252 PolarHBondContact O-N 3.22Å; S250-E252 VanDerWaalsContact O-N 3.13Å; S250-E252 PolarHBondContact OG-OE2 2.74Å
253E95.1Very high94.5Very high56 Ų5641.6 Ų41.626%0.26220%0.203SC..THydrogen-bonded Turntrans-88.4-22.4-176.8-62.9178.7141.100113.8G249 S250 P251 D255 W256 V257 G309G249-E253 WeakPolarHBondContact CA-OE2 3.28Å; S250-E253 PolarHBondContact N-OE2 2.78Å; S250-E253 WeakPolarHBondContact O-CA 3.45Å; S250-E253 WeakPolarHBondContact O-CB 3.44Å; S250-E253 PolarHBondContact O-N 2.84Å; S250-E253 WeakPolarHBondContact OG-CG 3.36Å; P251-E253 VanDerWaalsContact C-N 3.32Å; E253-D255 VanDerWaalsContact C-N 3.27Å; E253-D255 PolarHBondContact O-N 3.12Å; E253-W256 CarbonylContact O-C 3.42Å; E253-W256 WeakPolarHBondContact O-CA 3.42Å; E253-W256 WeakPolarHBondContact O-CB 3.36Å; E253-W256 PolarHBondContact O-N 3.49Å; E253-V257 PolarHBondContact O-N 2.67Å; E253-G309 WeakPolarHBondContact OE1-CA 3.17Å; E253-G309 PolarHBondContact OE1-N 2.77Å
254M95.3Very high94.4Very high47 Ų4738.2 Ų38.223%0.23219%0.19CC..Hα-helixtrans-54.1-40-175.1-73.5179.2-170.800113.3Y248 S250 W256 V257 D258Y248-M254 HydrophobicContact CD1-CB 4.45Å; Y248-M254 HydrophobicContact CD1-CE 4.19Å; Y248-M254 HydrophobicContact CD1-CG 3.75Å; Y248-M254 HydrophobicContact CD1-SD 3.85Å; Y248-M254 HydrophobicContact CE1-CB 4.43Å; Y248-M254 HydrophobicContact CE1-CG 4.17Å; Y248-M254 HydrophobicContact CE1-SD 4.21Å; Y248-M254 HydrophobicContact CG-CG 4.34Å; Y248-M254 WeakPolarHBondContact O-CG 3.39Å; S250-M254 WeakPolarHBondContact O-CG 3.49Å; S250-M254 PolarHBondContact O-N 3.44Å; M254-W256 PolarHBondContact O-N 3.39Å; M254-V257 PolarHBondContact O-N 3.17Å; M254-D258 WeakPolarHBondContact O-CB 2.93Å; M254-D258 PolarHBondContact O-N 2.76Å
255D94.4Very high94.2Very high8 Ų833.9 Ų33.94%0.04318%0.175CC..Hα-helixtrans-64.5-29.2176.1-53.3-35.9000112.5K73 I75 H84 R87 E253 Q259K73-D255 IonicContact NZ-OD2 3.15Å; K73-D255 PolarHBondContact NZ-OD2 2.94Å; I75-D255 HydrophobicContact CD1-CB 4.14Å; I75-D255 HydrophobicContact CG1-CB 4.45Å; H84-D255 WeakPolarHBondContact CB-OD1 3.29Å; H84-D255 IonicContact CE1-OD2 2.68Å; H84-D255 IonicContact CG-OD1 3.14Å; H84-D255 VanDerWaalsContact ND1-CG 3.34Å; H84-D255 IonicContact ND1-OD1 3.21Å; H84-D255 PolarHBondContact ND1-OD1 3.47Å; H84-D255 VanDerWaalsContact ND1-OD1 3.1Å; H84-D255 IonicContact ND1-OD2 3.86Å; H84-D255 PolarHBondContact ND1-OD2 3.16Å; H84-D255 VanDerWaalsContact ND1-OD2 3.14Å; R87-D255 IonicContact CZ-OD1 3.44Å; R87-D255 IonicContact NE-OD1 3.03Å; R87-D255 IonicContact NH2-OD1 2.13Å; R87-D255 PolarHBondContact NH2-OD1 3Å; E253-D255 VanDerWaalsContact C-N 3.27Å; E253-D255 PolarHBondContact O-N 3.12Å; D255-Q259 WeakPolarHBondContact O-CB 3.47Å; D255-Q259 VanDerWaalsContact O-CG 3.31Å; D255-Q259 WeakPolarHBondContact O-CG 3.45Å; D255-Q259 PolarHBondContact O-N 3.48Å; D255-Q259 VanDerWaalsContact O-N 3.12Å; D255-Q259 PolarHBondContact O-NE2 3.34Å
256W96.7Very high94Very high51 Ų5131.6 Ų31.619%0.19317%0.168CC..Hα-helixtrans-82.4-39.8178.5-177.6-116.2000111.9A61 F62 E253 M254 D258 Q259 V260 H300 F307A61-W256 HydrophobicContact CB-CH2 4.06Å; A61-W256 HydrophobicContact CB-CZ3 3.68Å; F62-W256 HydrophobicContact CE1-CH2 4.32Å; F62-W256 AromaticContact CZ-CH2 4Å; F62-W256 HydrophobicContact CZ-CH2 4Å; F62-W256 HydrophobicContact CZ-CZ3 4.22Å; E253-W256 CarbonylContact O-C 3.42Å; E253-W256 WeakPolarHBondContact O-CA 3.42Å; E253-W256 WeakPolarHBondContact O-CB 3.36Å; E253-W256 PolarHBondContact O-N 3.49Å; M254-W256 PolarHBondContact O-N 3.39Å; W256-D258 VanDerWaalsContact C-N 3.34Å; W256-Q259 HydrophobicContact CE3-CB 3.96Å; W256-Q259 HydrophobicContact CZ3-CB 4.17Å; W256-Q259 WeakPolarHBondContact O-CB 3.31Å; W256-Q259 PolarHBondContact O-N 3.01Å; W256-V260 HydrophobicContact CD2-CG2 4.15Å; W256-V260 HydrophobicContact CH2-CG2 4.02Å; W256-V260 HydrophobicContact CZ2-CG2 3.5Å; W256-V260 VanDerWaalsContact CZ2-CG2 3.5Å; W256-V260 WeakPolarHBondContact O-CG2 3.46Å; W256-V260 PolarHBondContact O-N 2.98Å; W256-H300 HydrophobicContact CH2-CB 4.37Å; W256-H300 AromaticContact CH2-CD2 3.83Å; W256-H300 AromaticContact CH2-CE1 3.81Å; W256-H300 AromaticContact CH2-CG 3.66Å; W256-H300 AromaticContact CH2-ND1 3.67Å; W256-H300 AromaticContact CH2-NE2 3.92Å; W256-H300 HydrophobicContact CZ2-CB 3.87Å; W256-H300 AromaticContact CZ2-CG 3.64Å; W256-H300 AromaticContact CZ2-ND1 3.79Å; W256-F307 PolarHBondContact NE1-O 2.81Å
257V97.5Very high93.9Very high1 Ų125.7 Ų25.71%0.00614%0.137CC..Hα-helixtrans-59.1-46.1170.6175.90000110.3Y248 E253 M254 Y261 A308 T313 I314 A315Y248-V257 HydrophobicContact CD2-CG1 3.88Å; Y248-V257 HydrophobicContact CE2-CG1 4.18Å; E253-V257 PolarHBondContact O-N 2.67Å; M254-V257 PolarHBondContact O-N 3.17Å; V257-Y261 WeakPolarHBondContact O-CB 3.41Å; V257-Y261 PolarHBondContact O-N 2.89Å; V257-A308 HydrophobicContact CG2-CB 3.69Å; V257-T313 HydrophobicContact CG2-CG2 3.89Å; V257-I314 HydrophobicContact CG1-CG1 3.73Å; V257-A315 HydrophobicContact CG1-CB 4.07Å
258D96.5Very high93.6Very high0 Ų026.7 Ų26.70%014%0.141CC..Hα-helixtrans-60.1-45.1172.8-84.8-38.5000112.1A80 R87 R239 Y248 M254 W256 V260 Y261 E262A80-D258 HydrophobicContact CB-CB 3.6Å; R87-D258 IonicContact CZ-OD2 2.67Å; R87-D258 IonicContact NH1-OD2 3.81Å; R87-D258 PolarHBondContact NH1-OD2 2.94Å; R87-D258 IonicContact NH2-OD2 3.65Å; R87-D258 PolarHBondContact NH2-OD2 3.38Å; R239-D258 IonicContact CZ-OD1 2.78Å; R239-D258 IonicContact NE-OD1 3.24Å; R239-D258 PolarHBondContact NE-OD1 3.38Å; R239-D258 IonicContact NH2-OD1 2.81Å; R239-D258 PolarHBondContact NH2-OD1 3.21Å; Y248-D258 PolarHBondContact OH-OD1 3.38Å; Y248-D258 PolarHBondContact OH-OD2 3Å; M254-D258 WeakPolarHBondContact O-CB 2.93Å; M254-D258 PolarHBondContact O-N 2.76Å; W256-D258 VanDerWaalsContact C-N 3.34Å; D258-V260 PolarHBondContact O-N 3.37Å; D258-Y261 PolarHBondContact O-N 2.98Å; D258-E262 WeakPolarHBondContact O-CG 3.42Å; D258-E262 PolarHBondContact O-N 2.81Å
259Q96.5Very high93.2Very high6 Ų628.4 Ų28.43%0.02815%0.153CC..Hα-helixtrans-58.4-49179-91.3169.6102.100112.7F62 I75 V76 Q77 A80 D255 W256 Q263F62-Q259 HydrophobicContact CE2-CB 3.95Å; F62-Q259 VanDerWaalsContact CE2-O 3.28Å; F62-Q259 WeakPolarHBondContact CE2-O 3.49Å; F62-Q259 HydrophobicContact CZ-CB 4.39Å; I75-Q259 HydrophobicContact CG2-CG 4.46Å; V76-Q259 HydrophobicContact CG2-CG 4.35Å; V76-Q259 WeakPolarHBondContact O-CG 3.4Å; Q77-Q259 HydrophobicContact CB-CG 4.35Å; A80-Q259 HydrophobicContact CB-CB 4.37Å; A80-Q259 HydrophobicContact CB-CG 3.65Å; D255-Q259 WeakPolarHBondContact O-CB 3.47Å; D255-Q259 VanDerWaalsContact O-CG 3.31Å; D255-Q259 WeakPolarHBondContact O-CG 3.45Å; D255-Q259 PolarHBondContact O-N 3.48Å; D255-Q259 VanDerWaalsContact O-N 3.12Å; D255-Q259 PolarHBondContact O-NE2 3.34Å; W256-Q259 HydrophobicContact CE3-CB 3.96Å; W256-Q259 HydrophobicContact CZ3-CB 4.17Å; W256-Q259 WeakPolarHBondContact O-CB 3.31Å; W256-Q259 PolarHBondContact O-N 3.01Å; Q259-Q263 WeakPolarHBondContact O-CB 3.48Å; Q259-Q263 PolarHBondContact O-N 3.28Å
260V96.9Very high93Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-68.6-37179.2176.90000111.2F62 W256 D258 Q263 G264 F307 A315 I319F62-V260 HydrophobicContact CZ-CG2 4.22Å; W256-V260 HydrophobicContact CD2-CG2 4.15Å; W256-V260 HydrophobicContact CH2-CG2 4.02Å; W256-V260 HydrophobicContact CZ2-CG2 3.5Å; W256-V260 VanDerWaalsContact CZ2-CG2 3.5Å; W256-V260 WeakPolarHBondContact O-CG2 3.46Å; W256-V260 PolarHBondContact O-N 2.98Å; D258-V260 PolarHBondContact O-N 3.37Å; V260-Q263 PolarHBondContact O-N 3.02Å; V260-G264 PolarHBondContact O-N 3.48Å; V260-F307 HydrophobicContact CB-CD1 4.45Å; V260-F307 HydrophobicContact CG1-CB 4.04Å; V260-F307 HydrophobicContact CG1-CD1 3.59Å; V260-F307 HydrophobicContact CG1-CD2 4.25Å; V260-F307 HydrophobicContact CG1-CE1 4.06Å; V260-F307 HydrophobicContact CG1-CG 3.69Å; V260-F307 HydrophobicContact CG2-CB 4.27Å; V260-F307 HydrophobicContact CG2-CD1 3.96Å; V260-F307 HydrophobicContact CG2-CG 4.42Å; V260-A315 HydrophobicContact CB-CB 3.95Å; V260-A315 HydrophobicContact CG1-CB 3.91Å; V260-I319 HydrophobicContact CG1-CD1 4.24Å; V260-I319 HydrophobicContact CG1-CG1 3.78Å
261Y95Very high92.7Very high2 Ų228.3 Ų28.31%0.00814%0.143CC..Hα-helixtrans-63.6-47.4176.4-173-85.8000112.3M187 G235 M238 V257 D258 Q263 G264 K265 I314M187-Y261 WeakPolarHBondContact CE-OH 3.35Å; M187-Y261 HydrophobicContact SD-CE2 4.05Å; M187-Y261 PolarHBondContact SD-OH 3.4Å; G235-Y261 WeakPolarHBondContact CA-OH 3.27Å; M238-Y261 HydrophobicContact CB-CE2 3.91Å; M238-Y261 HydrophobicContact CE-CE2 4.43Å; M238-Y261 HydrophobicContact CG-CE2 4.04Å; V257-Y261 WeakPolarHBondContact O-CB 3.41Å; V257-Y261 PolarHBondContact O-N 2.89Å; D258-Y261 PolarHBondContact O-N 2.98Å; Y261-Q263 PolarHBondContact O-N 3.24Å; Y261-G264 WeakPolarHBondContact O-CA 3.45Å; Y261-G264 PolarHBondContact O-N 3.22Å; Y261-G264 VanDerWaalsContact O-N 3.14Å; Y261-K265 PolarHBondContact O-N 3.29Å; Y261-I314 HydrophobicContact CD2-CB 4.48Å; Y261-I314 HydrophobicContact CD2-CD1 3.92Å; Y261-I314 HydrophobicContact CD2-CG1 3.99Å; Y261-I314 HydrophobicContact CE2-CD1 4.26Å; Y261-I314 HydrophobicContact CG-CD1 4.31Å
262E92Very high92.3Very high0 Ų024.9 Ų24.90%012%0.119CC..Hα-helixtrans-62.7-41.3175.8-68.1-59.9138.700111.8Q77 R83 K109 R239 D258 G264 K265 D266Q77-E262 HydrophobicContact CB-CB 3.91Å; Q77-E262 HydrophobicContact CB-CG 4.46Å; Q77-E262 HydrophobicContact CG-CB 4Å; R83-E262 IonicContact NH1-OE1 3.77Å; R83-E262 PolarHBondContact NH1-OE1 3.05Å; K109-E262 WeakPolarHBondContact CD-OE2 3.35Å; K109-E262 IonicContact NZ-OE2 2.86Å; K109-E262 PolarHBondContact NZ-OE2 2.88Å; R239-E262 IonicContact CZ-OE1 3.83Å; R239-E262 IonicContact NH1-OE1 3.08Å; R239-E262 PolarHBondContact NH1-OE1 3.34Å; R239-E262 IonicContact NH2-OE1 3.79Å; R239-E262 PolarHBondContact NH2-OE1 2.89Å; D258-E262 WeakPolarHBondContact O-CG 3.42Å; D258-E262 PolarHBondContact O-N 2.81Å; E262-G264 VanDerWaalsContact C-N 3.28Å; E262-G264 PolarHBondContact O-N 3.42Å; E262-K265 PolarHBondContact O-N 3.2Å; E262-D266 PolarHBondContact O-N 3.44Å
263Q94.5Very high92Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-59.7-39.1173.1-178.86133.600111.7F62 Q77 Q259 V260 Y261 D266 V267 E293 L297F62-Q263 HydrophobicContact CD1-CB 4.25Å; F62-Q263 HydrophobicContact CD1-CG 3.74Å; F62-Q263 HydrophobicContact CD2-CB 4.06Å; F62-Q263 HydrophobicContact CD2-CG 4.29Å; F62-Q263 HydrophobicContact CE1-CB 3.99Å; F62-Q263 HydrophobicContact CE1-CG 3.8Å; F62-Q263 HydrophobicContact CE2-CB 3.78Å; F62-Q263 HydrophobicContact CE2-CG 4.33Å; F62-Q263 HydrophobicContact CG-CB 4.29Å; F62-Q263 HydrophobicContact CG-CG 4.01Å; F62-Q263 HydrophobicContact CZ-CB 3.75Å; F62-Q263 HydrophobicContact CZ-CG 4.1Å; Q77-Q263 VanDerWaalsContact NE2-OE1 3.15Å; Q259-Q263 WeakPolarHBondContact O-CB 3.48Å; Q259-Q263 PolarHBondContact O-N 3.28Å; V260-Q263 PolarHBondContact O-N 3.02Å; Y261-Q263 PolarHBondContact O-N 3.24Å; Q263-D266 PolarHBondContact O-N 2.7Å; Q263-V267 WeakPolarHBondContact O-CG2 3.15Å; Q263-V267 PolarHBondContact O-N 2.95Å; Q263-V267 VanDerWaalsContact O-N 3.11Å; Q263-E293 PolarHBondContact NE2-OE2 3.36Å; Q263-L297 HydrophobicContact CG-CD2 3.89Å
264G92.6Very high91.7Very high1 Ų116.9 Ų16.91%0.018%0.082CC..Hα-helixtrans-60.2-46.3172.800000112.8V260 Y261 E262 V267 M268V260-G264 PolarHBondContact O-N 3.48Å; Y261-G264 WeakPolarHBondContact O-CA 3.45Å; Y261-G264 PolarHBondContact O-N 3.22Å; Y261-G264 VanDerWaalsContact O-N 3.14Å; E262-G264 VanDerWaalsContact C-N 3.28Å; E262-G264 PolarHBondContact O-N 3.42Å; G264-V267 PolarHBondContact O-N 3.38Å; G264-M268 WeakPolarHBondContact O-CB 3.28Å; G264-M268 PolarHBondContact O-N 2.84Å
265K88.3Confident91.2Very high32 Ų3214.7 Ų14.714%0.1397%0.071CC..Hα-helixtrans-61-45.7175.5-173.9171.1174.3171.70111.4E106 D110 Y261 E262 V267 M268 T269E106-K265 IonicContact OE2-NZ 3.91Å; E106-K265 PolarHBondContact OE2-NZ 3.44Å; D110-K265 WeakPolarHBondContact OD1-CE 3.26Å; D110-K265 IonicContact OD1-NZ 2.94Å; D110-K265 PolarHBondContact OD1-NZ 2.83Å; Y261-K265 PolarHBondContact O-N 3.29Å; E262-K265 PolarHBondContact O-N 3.2Å; K265-V267 VanDerWaalsContact C-N 3.32Å; K265-V267 PolarHBondContact O-N 3Å; K265-M268 PolarHBondContact O-N 2.99Å; K265-T269 PolarHBondContact O-N 3.22Å; K265-T269 PolarHBondContact O-OG1 3.09Å
266D88.5Confident90.5Very high34 Ų3417.9 Ų17.918%0.1829%0.085CC..Hα-helixtrans-62.3-34179.6-77.911.2000113.3Q77 K109 E262 Q263 K270Q77-D266 PolarHBondContact NE2-OD2 3.17Å; Q77-D266 PolarHBondContact OE1-OD2 3.37Å; K109-D266 IonicContact NZ-OD1 3.29Å; K109-D266 PolarHBondContact NZ-OD1 3.42Å; K109-D266 VanDerWaalsContact NZ-OD1 3.08Å; E262-D266 PolarHBondContact O-N 3.44Å; Q263-D266 PolarHBondContact O-N 2.7Å; D266-K270 WeakPolarHBondContact O-CG 3.24Å
267V92.9Very high89.7Confident1 Ų121.2 Ų21.21%0.00610%0.103CC..Hα-helixtrans-77.4-41.4174-177.70000111.2Q263 G264 K265 T269 K270 V271 E293 L322 I326Q263-V267 WeakPolarHBondContact O-CG2 3.15Å; Q263-V267 PolarHBondContact O-N 2.95Å; Q263-V267 VanDerWaalsContact O-N 3.11Å; G264-V267 PolarHBondContact O-N 3.38Å; K265-V267 VanDerWaalsContact C-N 3.32Å; K265-V267 PolarHBondContact O-N 3Å; V267-T269 VanDerWaalsContact C-N 3.27Å; V267-T269 PolarHBondContact O-N 3.06Å; V267-K270 WeakPolarHBondContact O-CB 3.47Å; V267-K270 PolarHBondContact O-N 3.48Å; V267-V271 PolarHBondContact O-N 3.49Å; V267-E293 HydrophobicContact CG1-CB 4.05Å; V267-E293 HydrophobicContact CG2-CB 3.81Å; V267-E293 HydrophobicContact CG2-CG 4.17Å; V267-L322 HydrophobicContact CB-CD1 4.4Å; V267-L322 HydrophobicContact CB-CD2 3.84Å; V267-L322 HydrophobicContact CG1-CD1 4.1Å; V267-L322 HydrophobicContact CG1-CD2 3.97Å; V267-I326 HydrophobicContact CG1-CD1 4.32Å
268M88.3Confident89.3Confident31 Ų3123.3 Ų23.315%0.15311%0.112CC..Hα-helixtrans-58.1-39.6174.7-175.16080.500111.8G264 K265 K270 V271 N272 L322 H325G264-M268 WeakPolarHBondContact O-CB 3.28Å; G264-M268 PolarHBondContact O-N 2.84Å; K265-M268 PolarHBondContact O-N 2.99Å; M268-K270 VanDerWaalsContact C-N 3.32Å; M268-K270 PolarHBondContact O-N 3.22Å; M268-V271 PolarHBondContact O-N 3.39Å; M268-N272 WeakPolarHBondContact O-CB 3.37Å; M268-N272 PolarHBondContact O-N 3.46Å; M268-N272 PolarHBondContact O-ND2 2.58Å; M268-L322 HydrophobicContact CB-CD1 4.08Å; M268-L322 HydrophobicContact CE-CB 4.17Å; M268-L322 HydrophobicContact CE-CD1 3.86Å; M268-L322 HydrophobicContact SD-CD1 4.24Å; M268-H325 HydrophobicContact CE-CB 4.16Å
269T85.7Confident88.9Confident44 Ų4426.9 Ų26.927%0.2713%0.126SC..Hα-helixtrans-57.2-42.4173.2-63.50000112.2T113 K265 V267 N273T113-T269 HydrophobicContact CG2-CG2 3.58Å; K265-T269 PolarHBondContact O-N 3.22Å; K265-T269 PolarHBondContact O-OG1 3.09Å; V267-T269 VanDerWaalsContact C-N 3.27Å; V267-T269 PolarHBondContact O-N 3.06Å; T269-N273 PolarHBondContact O-N 2.89Å
270K89Confident88.8Confident58 Ų5833.4 Ų33.425%0.25216%0.157SC..Hα-helixtrans-67.5-42.5177.7-64.8163.3-170.2165.90111.6D266 V267 M268 N273 M274 F285 E293D266-K270 WeakPolarHBondContact O-CG 3.24Å; V267-K270 WeakPolarHBondContact O-CB 3.47Å; V267-K270 PolarHBondContact O-N 3.48Å; M268-K270 VanDerWaalsContact C-N 3.32Å; M268-K270 PolarHBondContact O-N 3.22Å; K270-N273 PolarHBondContact O-N 3.48Å; K270-M274 PolarHBondContact O-N 3.24Å; K270-F285 HydrophobicContact CB-CE2 4.16Å; K270-F285 HydrophobicContact CB-CZ 4Å; K270-F285 WeakPolarHBondContact O-CZ 3.44Å; K270-E293 HydrophobicContact CD-CG 4.23Å; K270-E293 IonicContact NZ-OE1 2.77Å; K270-E293 PolarHBondContact NZ-OE1 2.85Å; K270-E293 IonicContact NZ-OE2 3.66Å; K270-E293 PolarHBondContact NZ-OE2 3.04Å
271V88Confident88.6Confident0 Ų037.5 Ų37.50%018%0.175CC..Hα-helixtrans-60.3-48175.9173.70000110.6V267 M268 N273 M274 L275 F285 I290 L322 I326 L329V267-V271 PolarHBondContact O-N 3.49Å; M268-V271 PolarHBondContact O-N 3.39Å; V271-N273 PolarHBondContact O-N 3.27Å; V271-M274 PolarHBondContact O-N 3.48Å; V271-L275 VanDerWaalsContact O-CB 3.31Å; V271-L275 WeakPolarHBondContact O-CB 3.27Å; V271-L275 PolarHBondContact O-N 3.07Å; V271-F285 HydrophobicContact CG2-CE1 4.34Å; V271-F285 HydrophobicContact CG2-CZ 4.46Å; V271-I290 HydrophobicContact CG2-CD1 4.01Å; V271-L322 HydrophobicContact CG2-CD1 4.45Å; V271-I326 HydrophobicContact CG2-CD1 4.42Å; V271-I326 HydrophobicContact CG2-CG1 4.02Å; V271-L329 HydrophobicContact CG1-CD1 3.79Å
272N83.4Confident88.6Confident21 Ų2139 Ų3911%0.11218%0.181CC..Hα-helixtrans-63-41.1178.4-73.8-25.6000112.4L184 M268 M274 L275 F276L184-N272 WeakPolarHBondContact CD1-ND2 3.36Å; M268-N272 WeakPolarHBondContact O-CB 3.37Å; M268-N272 PolarHBondContact O-N 3.46Å; M268-N272 PolarHBondContact O-ND2 2.58Å; N272-M274 VanDerWaalsContact C-N 3.34Å; N272-M274 PolarHBondContact O-N 3.04Å; N272-L275 PolarHBondContact O-N 2.86Å; N272-F276 HydrophobicContact CB-CD2 4.12Å; N272-F276 HydrophobicContact CB-CE2 4.17Å; N272-F276 WeakPolarHBondContact O-CD2 3.47Å; N272-F276 PolarHBondContact O-N 3.28Å
273N83.9Confident88.7Confident16 Ų1645.4 Ų45.49%0.08622%0.215CC..Hα-helixtrans-59.3-46176.7-16879000111.8Q117 R121 T269 K270 V271 H277 E278Q117-N273 PolarHBondContact NE2-OD1 3.32Å; Q117-N273 PolarHBondContact OE1-OD1 3.3Å; R121-N273 PolarHBondContact NH1-ND2 3.26Å; T269-N273 PolarHBondContact O-N 2.89Å; K270-N273 PolarHBondContact O-N 3.48Å; V271-N273 PolarHBondContact O-N 3.27Å; N273-H277 WeakPolarHBondContact O-CA 3.45Å; N273-H277 WeakPolarHBondContact O-CB 3.44Å; N273-H277 PolarHBondContact O-N 3.06Å; N273-E278 PolarHBondContact ND2-OE2 2.78Å; N273-E278 PolarHBondContact O-N 3.28Å
274M90.2Very high88.8Confident2 Ų251.1 Ų51.11%0.0124%0.242CC..Hα-helixtrans-60.6-48.9173.5178.8-77.1-55.400110.9K270 V271 N272 F276 E278 Y279 K282 F285 F286 L329K270-M274 PolarHBondContact O-N 3.24Å; V271-M274 PolarHBondContact O-N 3.48Å; N272-M274 VanDerWaalsContact C-N 3.34Å; N272-M274 PolarHBondContact O-N 3.04Å; M274-F276 PolarHBondContact O-N 3.24Å; M274-E278 CarbonylContact O-C 3.58Å; M274-E278 PolarHBondContact O-N 2.67Å; M274-Y279 VanDerWaalsContact O-CA 3.29Å; M274-Y279 WeakPolarHBondContact O-CA 3.32Å; M274-Y279 PolarHBondContact O-N 3.14Å; M274-Y279 HydrophobicContact SD-CD2 4.2Å; M274-K282 HydrophobicContact CE-CG 4.46Å; M274-K282 HydrophobicContact SD-CB 3.72Å; M274-K282 HydrophobicContact SD-CG 4.03Å; M274-F285 HydrophobicContact CB-CD1 4.02Å; M274-F285 HydrophobicContact CB-CD2 4.13Å; M274-F285 HydrophobicContact CB-CE1 4.1Å; M274-F285 HydrophobicContact CB-CE2 4.23Å; M274-F285 HydrophobicContact CB-CG 4.03Å; M274-F285 HydrophobicContact CB-CZ 4.22Å; M274-F285 HydrophobicContact CE-CD1 4.09Å; M274-F285 HydrophobicContact CE-CE1 4.22Å; M274-F285 HydrophobicContact CG-CB 3.94Å; M274-F285 HydrophobicContact CG-CD1 3.78Å; M274-F285 HydrophobicContact CG-CD2 4.32Å; M274-F285 HydrophobicContact CG-CE1 4.33Å; M274-F285 HydrophobicContact CG-CG 3.77Å; M274-F286 HydrophobicContact CE-CE2 4.03Å; M274-L329 HydrophobicContact CE-CD1 3.98Å
275L84.2Confident88.9Confident0 Ų052.2 Ų52.20%025%0.247CC..Hα-helixtrans-62.8-37.1-173.2-172.350.5000114.1V271 N272 Y279 L329 F367 T368 R372V271-L275 VanDerWaalsContact O-CB 3.31Å; V271-L275 WeakPolarHBondContact O-CB 3.27Å; V271-L275 PolarHBondContact O-N 3.07Å; N272-L275 PolarHBondContact O-N 2.86Å; L275-Y279 HydrophobicContact CD1-CD2 3.75Å; L275-Y279 HydrophobicContact CD1-CE2 3.73Å; L275-L329 HydrophobicContact CD1-CD2 3.98Å; L275-L329 HydrophobicContact CD2-CD1 4.45Å; L275-F367 HydrophobicContact CD2-CE1 4.04Å; L275-T368 HydrophobicContact CD2-CG2 3.54Å; L275-T368 HydrophobicContact CG-CG2 4.26Å; L275-R372 HydrophobicContact CD1-CB 4.39Å; L275-R372 PolarHBondContact O-NH1 2.82Å
276F78.9Confident89.3Confident75 Ų7552.2 Ų52.233%0.32925%0.247SC..Hα-helixtrans-101.5-24.1-175.9-61-62.6000114.5N272 M274 T368 H370N272-F276 HydrophobicContact CB-CD2 4.12Å; N272-F276 HydrophobicContact CB-CE2 4.17Å; N272-F276 WeakPolarHBondContact O-CD2 3.47Å; N272-F276 PolarHBondContact O-N 3.28Å; M274-F276 PolarHBondContact O-N 3.24Å; F276-T368 HydrophobicContact CE1-CG2 4.16Å; F276-T368 HydrophobicContact CZ-CG2 3.84Å; F276-H370 AromaticContact CE1-CD2 3.98Å
277H81.5Confident89.6Confident122 Ų12258.6 Ų58.657%0.56527%0.273SS*.Hα-helixtrans-127-19.8-172.5-51.9-51.8000115.7N273N273-H277 WeakPolarHBondContact O-CA 3.45Å; N273-H277 WeakPolarHBondContact O-CB 3.44Å; N273-H277 PolarHBondContact O-N 3.06Å
278E88.3Confident89.7Confident44 Ų4462.7 Ų62.721%0.20630%0.298CS..  trans-136.836.5-176.2-47.5-174.489.200112.2R121 N273 M274 E280 K281R121-E278 IonicContact NH1-OE2 3.62Å; R121-E278 PolarHBondContact NH1-OE2 3.37Å; N273-E278 PolarHBondContact ND2-OE2 2.78Å; N273-E278 PolarHBondContact O-N 3.28Å; M274-E278 CarbonylContact O-C 3.58Å; M274-E278 PolarHBondContact O-N 2.67Å; E278-E280 VanDerWaalsContact C-OE2 3.3Å; E278-E280 WeakPolarHBondContact CA-OE1 3.43Å; E278-E280 PolarHBondContact O-N 3.26Å; E278-K281 HydrophobicContact CB-CB 4.47Å; E278-K281 HydrophobicContact CB-CD 4.07Å; E278-K281 HydrophobicContact CB-CG 4.33Å; E278-K281 WeakPolarHBondContact O-CA 2.96Å; E278-K281 WeakPolarHBondContact O-CB 3.28Å; E278-K281 PolarHBondContact O-N 3Å; E278-K281 IonicContact OE1-NZ 2.85Å; E278-K281 PolarHBondContact OE1-NZ 2.94Å
279Y88.4Confident90Very high75 Ų7563.6 Ų63.629%0.29431%0.305SS..G310 helixtrans-65.6-27.2-168.9-172.7-95.8000112.6M274 L275 K281 K282 L329M274-Y279 VanDerWaalsContact O-CA 3.29Å; M274-Y279 WeakPolarHBondContact O-CA 3.32Å; M274-Y279 PolarHBondContact O-N 3.14Å; M274-Y279 HydrophobicContact SD-CD2 4.2Å; L275-Y279 HydrophobicContact CD1-CD2 3.75Å; L275-Y279 HydrophobicContact CD1-CE2 3.73Å; Y279-K281 PolarHBondContact O-N 2.9Å; Y279-K282 HydrophobicContact CE2-CD 3.86Å; Y279-K282 WeakPolarHBondContact O-CB 3.06Å; Y279-K282 PolarHBondContact O-N 3.2Å; Y279-K282 VanDerWaalsContact O-N 3.1Å; Y279-L329 HydrophobicContact CE2-CD2 4.33Å
280E93.3Very high90.5Very high144 Ų14461.7 Ų61.767%0.67329%0.293SS*.G310 helixtrans-62.2-19.9170.772.6-64.8155.200113.5E278E278-E280 VanDerWaalsContact C-OE2 3.3Å; E278-E280 WeakPolarHBondContact CA-OE1 3.43Å; E278-E280 PolarHBondContact O-N 3.26Å
281K94.4Very high90.8Very high86 Ų8660.6 Ų60.637%0.37429%0.292SS..G310 helixtrans-95.57175.7-49-178.8-160.1169.60113E278 Y279 D283 E284 F285E278-K281 HydrophobicContact CB-CB 4.47Å; E278-K281 HydrophobicContact CB-CD 4.07Å; E278-K281 HydrophobicContact CB-CG 4.33Å; E278-K281 WeakPolarHBondContact O-CA 2.96Å; E278-K281 WeakPolarHBondContact O-CB 3.28Å; E278-K281 PolarHBondContact O-N 3Å; E278-K281 IonicContact OE1-NZ 2.85Å; E278-K281 PolarHBondContact OE1-NZ 2.94Å; Y279-K281 PolarHBondContact O-N 2.9Å; K281-D283 VanDerWaalsContact C-N 3.32Å; K281-D283 PolarHBondContact O-N 3.33Å; K281-E284 PolarHBondContact O-N 3.23Å; K281-F285 WeakPolarHBondContact O-CB 3.46Å; K281-F285 PolarHBondContact O-N 2.92Å
282K93.8Very high91.2Very high32 Ų3262.2 Ų62.214%0.13931%0.309CS..Hα-helixtrans-46.7-51.2-176.7175.6177.2172.6176.40113M274 Y279 E284 F285 F286 L329M274-K282 HydrophobicContact CE-CG 4.46Å; M274-K282 HydrophobicContact SD-CB 3.72Å; M274-K282 HydrophobicContact SD-CG 4.03Å; Y279-K282 HydrophobicContact CE2-CD 3.86Å; Y279-K282 WeakPolarHBondContact O-CB 3.06Å; Y279-K282 PolarHBondContact O-N 3.2Å; Y279-K282 VanDerWaalsContact O-N 3.1Å; K282-E284 VanDerWaalsContact C-N 3.34Å; K282-E284 PolarHBondContact O-N 2.71Å; K282-F285 PolarHBondContact O-N 2.86Å; K282-F286 HydrophobicContact CG-CD2 4.1Å; K282-F286 HydrophobicContact CG-CE2 4.44Å; K282-F286 WeakPolarHBondContact O-CB 3.18Å; K282-F286 WeakPolarHBondContact O-CD2 3.42Å; K282-F286 PolarHBondContact O-N 2.93Å; K282-L329 HydrophobicContact CD-CD2 4.35Å; K282-L329 WeakPolarHBondContact CE-O 3.46Å; K282-L329 PolarHBondContact NZ-O 3.46Å
283D94.7Very high91.7Very high135 Ų13562.3 Ų62.372%0.72231%0.309SS*.Hα-helixtrans-67.9-34.1-176.4-66.8-9.1000112.4K281 K287K281-D283 VanDerWaalsContact C-N 3.32Å; K281-D283 PolarHBondContact O-N 3.33Å; D283-K287 VanDerWaalsContact O-CB 3.23Å; D283-K287 WeakPolarHBondContact O-CB 3.37Å; D283-K287 PolarHBondContact O-N 3.08Å; D283-K287 VanDerWaalsContact O-N 3.09Å
284E96.4Very high92.3Very high121 Ų12161.6 Ų61.657%0.56531%0.305SS*.Hα-helixtrans-68.8-45.1173-176.4176.3-168.400111.1K281 K282 F286 K287 T288K281-E284 PolarHBondContact O-N 3.23Å; K282-E284 VanDerWaalsContact C-N 3.34Å; K282-E284 PolarHBondContact O-N 2.71Å; E284-F286 PolarHBondContact O-N 2.68Å; E284-K287 CarbonylContact O-C 3.55Å; E284-K287 PolarHBondContact O-N 2.98Å; E284-K287 VanDerWaalsContact O-N 3.1Å; E284-T288 HydrophobicContact CG-CG2 4.19Å; E284-T288 WeakPolarHBondContact O-CB 3.33Å; E284-T288 WeakPolarHBondContact O-CG2 3.44Å; E284-T288 PolarHBondContact O-N 2.73Å; E284-T288 PolarHBondContact O-OG1 3.32Å
285F95.7Very high92.6Very high23 Ų2366 Ų6610%0.10133%0.325CS..Hα-helixtrans-60.9-41.9177.7177.4-98.1000112.2K270 V271 M274 K281 K282 K287 T288 V289 I290K270-F285 HydrophobicContact CB-CE2 4.16Å; K270-F285 HydrophobicContact CB-CZ 4Å; K270-F285 WeakPolarHBondContact O-CZ 3.44Å; V271-F285 HydrophobicContact CG2-CE1 4.34Å; V271-F285 HydrophobicContact CG2-CZ 4.46Å; M274-F285 HydrophobicContact CB-CD1 4.02Å; M274-F285 HydrophobicContact CB-CD2 4.13Å; M274-F285 HydrophobicContact CB-CE1 4.1Å; M274-F285 HydrophobicContact CB-CE2 4.23Å; M274-F285 HydrophobicContact CB-CG 4.03Å; M274-F285 HydrophobicContact CB-CZ 4.22Å; M274-F285 HydrophobicContact CE-CD1 4.09Å; M274-F285 HydrophobicContact CE-CE1 4.22Å; M274-F285 HydrophobicContact CG-CB 3.94Å; M274-F285 HydrophobicContact CG-CD1 3.78Å; M274-F285 HydrophobicContact CG-CD2 4.32Å; M274-F285 HydrophobicContact CG-CE1 4.33Å; M274-F285 HydrophobicContact CG-CG 3.77Å; K281-F285 WeakPolarHBondContact O-CB 3.46Å; K281-F285 PolarHBondContact O-N 2.92Å; K282-F285 PolarHBondContact O-N 2.86Å; F285-K287 VanDerWaalsContact C-N 3.32Å; F285-K287 PolarHBondContact O-N 3.08Å; F285-T288 PolarHBondContact O-N 3.45Å; F285-V289 HydrophobicContact CD2-CB 3.74Å; F285-V289 HydrophobicContact CD2-CG1 4.15Å; F285-V289 HydrophobicContact CD2-CG2 3.77Å; F285-V289 HydrophobicContact CE2-CB 3.82Å; F285-V289 HydrophobicContact CE2-CG1 3.7Å; F285-V289 HydrophobicContact CE2-CG2 4.16Å; F285-V289 HydrophobicContact CG-CB 4.37Å; F285-V289 HydrophobicContact CZ-CG1 4.29Å; F285-V289 PolarHBondContact O-N 3.05Å; F285-I290 HydrophobicContact CD1-CD1 4.38Å; F285-I290 HydrophobicContact CD1-CG1 3.86Å; F285-I290 HydrophobicContact CE1-CD1 3.59Å; F285-I290 HydrophobicContact CE1-CG1 3.58Å; F285-I290 HydrophobicContact CZ-CD1 4.05Å; F285-I290 HydrophobicContact CZ-CG1 4.29Å; F285-I290 PolarHBondContact O-N 3.34Å; F285-I290 VanDerWaalsContact O-N 3.11Å
286F96Very high93Very high32 Ų3267.9 Ų67.914%0.1433%0.333CS..Hα-helixtrans-69.9-26.2174.3-91.4-97000113.5M274 K282 E284 I290 P291 I326 L329 C333M274-F286 HydrophobicContact CE-CE2 4.03Å; K282-F286 HydrophobicContact CG-CD2 4.1Å; K282-F286 HydrophobicContact CG-CE2 4.44Å; K282-F286 WeakPolarHBondContact O-CB 3.18Å; K282-F286 WeakPolarHBondContact O-CD2 3.42Å; K282-F286 PolarHBondContact O-N 2.93Å; E284-F286 PolarHBondContact O-N 2.68Å; F286-I290 HydrophobicContact CD1-CB 4.45Å; F286-I290 HydrophobicContact CD1-CG1 4.21Å; F286-I290 HydrophobicContact CD1-CG2 4.28Å; F286-I290 HydrophobicContact CD2-CG1 4.35Å; F286-I290 HydrophobicContact CE1-CG1 4.25Å; F286-I290 HydrophobicContact CE1-CG2 4.38Å; F286-I290 HydrophobicContact CE2-CG1 4.37Å; F286-I290 HydrophobicContact CG-CG1 4.25Å; F286-I290 HydrophobicContact CZ-CG1 4.3Å; F286-P291 WeakPolarHBondContact O-CD 3.47Å; F286-I326 HydrophobicContact CE1-CG2 3.57Å; F286-I326 WeakPolarHBondContact CE1-O 3.46Å; F286-I326 HydrophobicContact CZ-CG2 3.96Å; F286-L329 HydrophobicContact CE1-CB 4.32Å; F286-L329 HydrophobicContact CE2-CB 3.76Å; F286-L329 HydrophobicContact CE2-CD1 4.38Å; F286-L329 HydrophobicContact CZ-CB 3.41Å; F286-L329 VanDerWaalsContact CZ-CB 3.41Å; F286-L329 HydrophobicContact CZ-CD1 4.34Å; F286-C333 HydrophobicContact CE1-CB 4.44Å
287K94.9Very high93.9Very high169 Ų16964.3 Ų64.374%0.73532%0.318SS*.Hα-helixtrans-82.7-29.5175.3-177.1179.2177.9-175.50113.8D283 E284 F285D283-K287 VanDerWaalsContact O-CB 3.23Å; D283-K287 WeakPolarHBondContact O-CB 3.37Å; D283-K287 PolarHBondContact O-N 3.08Å; D283-K287 VanDerWaalsContact O-N 3.09Å; E284-K287 CarbonylContact O-C 3.55Å; E284-K287 PolarHBondContact O-N 2.98Å; E284-K287 VanDerWaalsContact O-N 3.1Å; F285-K287 VanDerWaalsContact C-N 3.32Å; F285-K287 PolarHBondContact O-N 3.08Å
288T94.1Very high94.6Very high86 Ų8659.1 Ų59.153%0.52829%0.294SS..Hα-helixtrans-118.1-37.1-166.760.60000114.9E284 F285E284-T288 HydrophobicContact CG-CG2 4.19Å; E284-T288 WeakPolarHBondContact O-CB 3.33Å; E284-T288 WeakPolarHBondContact O-CG2 3.44Å; E284-T288 PolarHBondContact O-N 2.73Å; E284-T288 PolarHBondContact O-OG1 3.32Å; F285-T288 PolarHBondContact O-N 3.45Å
289V95.1Very high94.9Very high50 Ų5063 Ų6330%0.30331%0.31SS..THydrogen-bonded Turntrans-99.8-52.3-174.3-177.30000111.4F285 P291 G292 E293F285-V289 HydrophobicContact CD2-CB 3.74Å; F285-V289 HydrophobicContact CD2-CG1 4.15Å; F285-V289 HydrophobicContact CD2-CG2 3.77Å; F285-V289 HydrophobicContact CE2-CB 3.82Å; F285-V289 HydrophobicContact CE2-CG1 3.7Å; F285-V289 HydrophobicContact CE2-CG2 4.16Å; F285-V289 HydrophobicContact CG-CB 4.37Å; F285-V289 HydrophobicContact CZ-CG1 4.29Å; F285-V289 PolarHBondContact O-N 3.05Å; V289-P291 VanDerWaalsContact C-CD 3.49Å; V289-G292 PolarHBondContact O-N 2.97Å; V289-E293 HydrophobicContact CG1-CG 4.34Å; V289-E293 PolarHBondContact O-N 3.19Å
290I96Very high95.2Very high4 Ų461.3 Ų61.32%0.02131%0.305CS..Hα-helixtrans-54.6-43.2-176.6-71.2-64.1000113.4V271 F285 F286 G292 E293 L294 I326 C333V271-I290 HydrophobicContact CG2-CD1 4.01Å; F285-I290 HydrophobicContact CD1-CD1 4.38Å; F285-I290 HydrophobicContact CD1-CG1 3.86Å; F285-I290 HydrophobicContact CE1-CD1 3.59Å; F285-I290 HydrophobicContact CE1-CG1 3.58Å; F285-I290 HydrophobicContact CZ-CD1 4.05Å; F285-I290 HydrophobicContact CZ-CG1 4.29Å; F285-I290 PolarHBondContact O-N 3.34Å; F285-I290 VanDerWaalsContact O-N 3.11Å; F286-I290 HydrophobicContact CD1-CB 4.45Å; F286-I290 HydrophobicContact CD1-CG1 4.21Å; F286-I290 HydrophobicContact CD1-CG2 4.28Å; F286-I290 HydrophobicContact CD2-CG1 4.35Å; F286-I290 HydrophobicContact CE1-CG1 4.25Å; F286-I290 HydrophobicContact CE1-CG2 4.38Å; F286-I290 HydrophobicContact CE2-CG1 4.37Å; F286-I290 HydrophobicContact CG-CG1 4.25Å; F286-I290 HydrophobicContact CZ-CG1 4.3Å; I290-G292 VanDerWaalsContact C-N 3.34Å; I290-G292 PolarHBondContact O-N 2.89Å; I290-E293 PolarHBondContact O-N 3.18Å; I290-L294 HydrophobicContact CG2-CD1 3.49Å; I290-L294 VanDerWaalsContact CG2-CD1 3.49Å; I290-L294 HydrophobicContact CG2-CG 4Å; I290-L294 WeakPolarHBondContact O-CB 3.4Å; I290-L294 WeakPolarHBondContact O-CG 3.38Å; I290-L294 PolarHBondContact O-N 3.43Å; I290-I326 HydrophobicContact CD1-CD1 4.15Å; I290-I326 HydrophobicContact CD1-CG1 4.3Å; I290-I326 HydrophobicContact CD1-CG2 4.34Å; I290-I326 HydrophobicContact CG2-CG2 3.88Å; I290-C333 HydrophobicContact CG2-CB 4.48Å
291P96.2Very high95.4Very high35 Ų3554.5 Ų54.523%0.22727%0.273CS..Hα-helixtrans-59.8-41.5-180-25.936.6000113.2F286 V289 E295 F337F286-P291 WeakPolarHBondContact O-CD 3.47Å; V289-P291 VanDerWaalsContact C-CD 3.49Å; P291-E295 WeakPolarHBondContact O-CB 3.4Å; P291-E295 PolarHBondContact O-N 3.48Å; P291-F337 HydrophobicContact CB-CZ 4.43Å; P291-F337 WeakPolarHBondContact O-CZ 3.29Å
292G94.8Very high95.3Very high35 Ų3556.1 Ų56.136%0.36128%0.28SS..Hα-helixtrans-71.8-30.2-179.800000113.7V289 I290 K296V289-G292 PolarHBondContact O-N 2.97Å; I290-G292 VanDerWaalsContact C-N 3.34Å; I290-G292 PolarHBondContact O-N 2.89Å; G292-K296 WeakPolarHBondContact O-CG 3.24Å
293E95.7Very high95.3Very high22 Ų2258.8 Ų58.810%0.10332%0.316CS..Hα-helixtrans-77.5-37.2174.1-63.7-58.3154.700112.4Q263 V267 K270 V289 I290 K296Q263-E293 PolarHBondContact NE2-OE2 3.36Å; V267-E293 HydrophobicContact CG1-CB 4.05Å; V267-E293 HydrophobicContact CG2-CB 3.81Å; V267-E293 HydrophobicContact CG2-CG 4.17Å; K270-E293 HydrophobicContact CD-CG 4.23Å; K270-E293 IonicContact NZ-OE1 2.77Å; K270-E293 PolarHBondContact NZ-OE1 2.85Å; K270-E293 IonicContact NZ-OE2 3.66Å; K270-E293 PolarHBondContact NZ-OE2 3.04Å; V289-E293 HydrophobicContact CG1-CG 4.34Å; V289-E293 PolarHBondContact O-N 3.19Å; I290-E293 PolarHBondContact O-N 3.18Å; E293-K296 PolarHBondContact O-N 3.33Å; E293-K296 IonicContact OE1-NZ 2.95Å; E293-K296 PolarHBondContact OE1-NZ 3.45Å; E293-K296 IonicContact OE2-NZ 3.34Å; E293-K296 PolarHBondContact OE2-NZ 2.69Å
294L96.3Very high95.4Very high1 Ų157.3 Ų57.31%0.00530%0.304CS..Hα-helixtrans-69.4-35.8174.1-67.5177.1000112I290 K296 L297 E298 L323 I326 C333 L334 F337 L340I290-L294 HydrophobicContact CG2-CD1 3.49Å; I290-L294 VanDerWaalsContact CG2-CD1 3.49Å; I290-L294 HydrophobicContact CG2-CG 4Å; I290-L294 WeakPolarHBondContact O-CB 3.4Å; I290-L294 WeakPolarHBondContact O-CG 3.38Å; I290-L294 PolarHBondContact O-N 3.43Å; L294-K296 VanDerWaalsContact C-N 3.26Å; L294-K296 PolarHBondContact O-N 2.81Å; L294-L297 PolarHBondContact O-N 2.75Å; L294-E298 WeakPolarHBondContact O-CB 3.33Å; L294-E298 PolarHBondContact O-N 3.29Å; L294-L323 HydrophobicContact CD2-CD2 3.82Å; L294-I326 HydrophobicContact CD1-CG2 4.5Å; L294-I326 HydrophobicContact CD2-CD1 3.99Å; L294-C333 HydrophobicContact CD1-CB 4.25Å; L294-L334 HydrophobicContact CD1-CD2 3.96Å; L294-L334 HydrophobicContact CD2-CD2 4.38Å; L294-F337 HydrophobicContact CB-CD2 3.76Å; L294-F337 HydrophobicContact CB-CE1 4.26Å; L294-F337 HydrophobicContact CB-CE2 3.44Å; L294-F337 VanDerWaalsContact CB-CE2 3.44Å; L294-F337 HydrophobicContact CB-CG 4.31Å; L294-F337 HydrophobicContact CB-CZ 3.72Å; L294-F337 HydrophobicContact CD1-CD2 3.78Å; L294-F337 HydrophobicContact CD1-CE2 3.59Å; L294-F337 HydrophobicContact CG-CD2 4.42Å; L294-F337 HydrophobicContact CG-CE2 4.17Å; L294-L340 HydrophobicContact CB-CD1 3.99Å; L294-L340 HydrophobicContact CD2-CD1 4.01Å; L294-L340 WeakPolarHBondContact O-CD1 3.28Å
295E95.8Very high95.3Very high94 Ų9457.4 Ų57.444%0.43930%0.304SS..Hα-helixtrans-60.9-34.4176.9-157.2-151.3160.400112.3P291 L297 K299 F337P291-E295 WeakPolarHBondContact O-CB 3.4Å; P291-E295 PolarHBondContact O-N 3.48Å; E295-L297 VanDerWaalsContact C-N 3.33Å; E295-L297 PolarHBondContact O-N 3Å; E295-K299 WeakPolarHBondContact O-CD 3.28Å; E295-K299 VanDerWaalsContact O-CG 3.27Å; E295-K299 WeakPolarHBondContact O-CG 3.31Å; E295-K299 PolarHBondContact O-N 3.41Å; E295-K299 WeakPolarHBondContact OE1-CE 3.46Å; E295-K299 IonicContact OE1-NZ 2.74Å; E295-K299 PolarHBondContact OE1-NZ 3Å; E295-K299 IonicContact OE2-NZ 3.15Å; E295-K299 PolarHBondContact OE2-NZ 3.32Å; E295-F337 HydrophobicContact CB-CE1 4.11Å; E295-F337 HydrophobicContact CG-CE1 4.44Å
296K93.7Very high95.4Very high40 Ų4056.7 Ų56.717%0.17430%0.301CS..Hα-helixtrans-60.6-41.1173.4-66.1169.9-171.6176.50111.9F62 G292 E293 L294 H300F62-K296 HydrophobicContact CB-CD 4.41Å; F62-K296 HydrophobicContact CD1-CB 4.34Å; G292-K296 WeakPolarHBondContact O-CG 3.24Å; E293-K296 PolarHBondContact O-N 3.33Å; E293-K296 IonicContact OE1-NZ 2.95Å; E293-K296 PolarHBondContact OE1-NZ 3.45Å; E293-K296 IonicContact OE2-NZ 3.34Å; E293-K296 PolarHBondContact OE2-NZ 2.69Å; L294-K296 VanDerWaalsContact C-N 3.26Å; L294-K296 PolarHBondContact O-N 2.81Å; K296-H300 PolarHBondContact O-CD2 3.4Å
297L96.2Very high95.4Very high1 Ų155.4 Ų55.41%0.00530%0.295CS..Hα-helixtrans-79.1-41.6-178.8-65170.1000111.8Q263 L294 E295 K299 H300 I301 F307 I319 L322 L340Q263-L297 HydrophobicContact CG-CD2 3.89Å; L294-L297 PolarHBondContact O-N 2.75Å; E295-L297 VanDerWaalsContact C-N 3.33Å; E295-L297 PolarHBondContact O-N 3Å; L297-K299 VanDerWaalsContact C-N 3.26Å; L297-K299 PolarHBondContact O-N 3.12Å; L297-H300 PolarHBondContact O-N 3.12Å; L297-I301 WeakPolarHBondContact O-CG2 3.43Å; L297-I301 PolarHBondContact O-N 3.43Å; L297-F307 HydrophobicContact CB-CE1 4.39Å; L297-F307 HydrophobicContact CB-CZ 4.34Å; L297-F307 HydrophobicContact CD2-CE1 4.16Å; L297-F307 HydrophobicContact CD2-CZ 4.39Å; L297-I319 HydrophobicContact CD1-CD1 4.01Å; L297-I319 HydrophobicContact CD1-CG2 4.39Å; L297-I319 HydrophobicContact CD2-CD1 3.9Å; L297-L322 HydrophobicContact CD1-CD2 4.38Å; L297-L340 HydrophobicContact CB-CD1 4.19Å; L297-L340 HydrophobicContact CB-CD2 3.88Å
298E96.9Very high95.4Very high12 Ų1247.7 Ų47.76%0.05626%0.263CS..Hα-helixtrans-51.2-45.6175174.469.1-176.100111.3L294 H300 I301 K302 F337 S338 G339 L340L294-E298 WeakPolarHBondContact O-CB 3.33Å; L294-E298 PolarHBondContact O-N 3.29Å; E298-H300 PolarHBondContact O-N 2.86Å; E298-H300 VanDerWaalsContact O-N 3.07Å; E298-I301 PolarHBondContact O-N 3.48Å; E298-K302 VanDerWaalsContact O-CB 3.28Å; E298-K302 WeakPolarHBondContact O-CB 3.45Å; E298-K302 PolarHBondContact O-N 3.05Å; E298-K302 IonicContact OE1-NZ 3.16Å; E298-K302 PolarHBondContact OE1-NZ 2.82Å; E298-F337 HydrophobicContact CB-CD1 3.88Å; E298-F337 HydrophobicContact CG-CB 4.48Å; E298-F337 HydrophobicContact CG-CD1 4Å; E298-S338 PolarHBondContact OE1-N 2.9Å; E298-G339 VanDerWaalsContact CD-N 3.33Å; E298-G339 PolarHBondContact OE1-N 3.3Å; E298-G339 WeakPolarHBondContact OE2-CA 3.3Å; E298-G339 PolarHBondContact OE2-N 3.21Å; E298-L340 HydrophobicContact CB-CD1 4.12Å; E298-L340 HydrophobicContact CB-CG 4.36Å; E298-L340 PolarHBondContact OE2-N 2.68Å
299K95.1Very high95.3Very high127 Ų12745.9 Ų45.955%0.55226%0.262SS*.Hα-helixtrans-54.4-27.6179.2-77.8164.1-176.8162.20114.1E295 L297E295-K299 WeakPolarHBondContact O-CD 3.28Å; E295-K299 VanDerWaalsContact O-CG 3.27Å; E295-K299 WeakPolarHBondContact O-CG 3.31Å; E295-K299 PolarHBondContact O-N 3.41Å; E295-K299 WeakPolarHBondContact OE1-CE 3.46Å; E295-K299 IonicContact OE1-NZ 2.74Å; E295-K299 PolarHBondContact OE1-NZ 3Å; E295-K299 IonicContact OE2-NZ 3.15Å; E295-K299 PolarHBondContact OE2-NZ 3.32Å; L297-K299 VanDerWaalsContact C-N 3.26Å; L297-K299 PolarHBondContact O-N 3.12Å
300H95.1Very high95.2Very high39 Ų3949.8 Ų49.818%0.18128%0.281CS..Hα-helixtrans-101.6-22.4-177.2-67.8-60000115A61 F62 W256 K296 L297 E298 K304 F307A61-H300 PolarHBondContact O-NE2 3.23Å; F62-H300 AromaticContact CE1-CD2 3.95Å; W256-H300 HydrophobicContact CH2-CB 4.37Å; W256-H300 AromaticContact CH2-CD2 3.83Å; W256-H300 AromaticContact CH2-CE1 3.81Å; W256-H300 AromaticContact CH2-CG 3.66Å; W256-H300 AromaticContact CH2-ND1 3.67Å; W256-H300 AromaticContact CH2-NE2 3.92Å; W256-H300 HydrophobicContact CZ2-CB 3.87Å; W256-H300 AromaticContact CZ2-CG 3.64Å; W256-H300 AromaticContact CZ2-ND1 3.79Å; K296-H300 PolarHBondContact O-CD2 3.4Å; L297-H300 PolarHBondContact O-N 3.12Å; E298-H300 PolarHBondContact O-N 2.86Å; E298-H300 VanDerWaalsContact O-N 3.07Å; H300-K304 WeakPolarHBondContact O-CD 3.49Å; H300-K304 WeakPolarHBondContact O-CE 3.34Å; H300-K304 PolarHBondContact O-NZ 2.85Å; H300-F307 HydrophobicContact CB-CD1 4.38Å; H300-F307 HydrophobicContact CB-CE1 4.43Å
301I96.7Very high95Very high0 Ų056.1 Ų56.10%031%0.308CS..Hα-helixtrans-100.4-20.3-178-164.259.2000113.3L297 E298 G303 K304 F306 F307 L340 F343L297-I301 WeakPolarHBondContact O-CG2 3.43Å; L297-I301 PolarHBondContact O-N 3.43Å; E298-I301 PolarHBondContact O-N 3.48Å; I301-G303 PolarHBondContact O-N 2.99Å; I301-G303 VanDerWaalsContact O-N 3.14Å; I301-K304 HydrophobicContact CD1-CB 4.29Å; I301-K304 PolarHBondContact O-N 2.7Å; I301-F306 WeakPolarHBondContact CD1-O 3.47Å; I301-F307 HydrophobicContact CB-CD1 4.33Å; I301-F307 HydrophobicContact CB-CE1 3.81Å; I301-F307 HydrophobicContact CB-CE2 4.2Å; I301-F307 HydrophobicContact CB-CZ 3.73Å; I301-F307 HydrophobicContact CD1-CD1 4.43Å; I301-F307 HydrophobicContact CD1-CD2 3.8Å; I301-F307 HydrophobicContact CD1-CE2 3.93Å; I301-F307 HydrophobicContact CD1-CG 4.06Å; I301-F307 HydrophobicContact CD1-CZ 4.32Å; I301-F307 HydrophobicContact CG1-CD2 4.37Å; I301-F307 HydrophobicContact CG1-CE1 4.47Å; I301-F307 HydrophobicContact CG1-CE2 3.99Å; I301-F307 HydrophobicContact CG1-CZ 4.05Å; I301-F307 HydrophobicContact CG2-CE1 4.47Å; I301-F307 HydrophobicContact CG2-CZ 4.18Å; I301-L340 HydrophobicContact CG2-CD2 3.84Å; I301-L340 HydrophobicContact CG2-CG 3.97Å; I301-F343 HydrophobicContact CD1-CB 4.26Å; I301-F343 HydrophobicContact CD1-CD2 3.74Å; I301-F343 HydrophobicContact CD1-CE2 4.45Å; I301-F343 HydrophobicContact CD1-CG 4.18Å; I301-F343 HydrophobicContact CG1-CB 3.61Å; I301-F343 HydrophobicContact CG1-CD2 3.96Å; I301-F343 HydrophobicContact CG1-CG 3.87Å
302K93.1Very high95Very high121 Ų12155 Ų5553%0.52630%0.301SS..THydrogen-bonded Turntrans-58.2118.4-177.6-163-176.5-160.290.10111.5E298 S338E298-K302 VanDerWaalsContact O-CB 3.28Å; E298-K302 WeakPolarHBondContact O-CB 3.45Å; E298-K302 PolarHBondContact O-N 3.05Å; E298-K302 IonicContact OE1-NZ 3.16Å; E298-K302 PolarHBondContact OE1-NZ 2.82Å; K302-S338 PolarHBondContact NZ-OG 2.86Å
303G92.8Very high95.1Very high87 Ų8753.6 Ų53.690%0.89729%0.285SS*.THydrogen-bonded Turntrans84.84.8-176.800000115.3I301I301-G303 PolarHBondContact O-N 2.99Å; I301-G303 VanDerWaalsContact O-N 3.14Å
304K95.9Very high95.1Very high105 Ų10552.6 Ų52.646%0.45728%0.281SS..  trans-115.2163.9173.9-55.4-179.5-169.3161.80111H300 I301 F306H300-K304 WeakPolarHBondContact O-CD 3.49Å; H300-K304 WeakPolarHBondContact O-CE 3.34Å; H300-K304 PolarHBondContact O-NZ 2.85Å; I301-K304 HydrophobicContact CD1-CB 4.29Å; I301-K304 PolarHBondContact O-N 2.7Å; K304-F306 WeakPolarHBondContact CB-O 3.46Å
305Q95.2Very high95.1Very high123 Ų12352.5 Ų52.558%0.57528%0.28SS*.SBendtrans-91.5-30.3172.1-171.3177.40.800112.7
306F97.2Very high95.2Very high8 Ų848 Ų484%0.03526%0.259CS..SBendtrans-138.2161-177.3-54.9-67000109.5I301 K304 A308 P312 D316 I347I301-F306 WeakPolarHBondContact CD1-O 3.47Å; K304-F306 WeakPolarHBondContact CB-O 3.46Å; F306-A308 WeakPolarHBondContact CB-O 3.46Å; F306-P312 HydrophobicContact CD1-CB 3.88Å; F306-P312 HydrophobicContact CE1-CB 3.73Å; F306-P312 HydrophobicContact CE1-CG 4.14Å; F306-P312 HydrophobicContact CZ-CB 4.47Å; F306-P312 HydrophobicContact CZ-CG 4.44Å; F306-D316 VanDerWaalsContact CA-OD1 3.24Å; F306-D316 WeakPolarHBondContact CA-OD1 3.49Å; F306-D316 WeakPolarHBondContact CB-OD1 3.39Å; F306-I347 HydrophobicContact CD1-CD1 4.06Å; F306-I347 HydrophobicContact CE1-CD1 3.78Å
307F97.2Very high95.2Very high4 Ų446.1 Ų46.12%0.01825%0.251CS..SBendtrans-71.1-31.4178.9-80.6-89.4000112.6W256 V260 L297 H300 I301 D316 I319 L340 F343W256-F307 PolarHBondContact NE1-O 2.81Å; V260-F307 HydrophobicContact CB-CD1 4.45Å; V260-F307 HydrophobicContact CG1-CB 4.04Å; V260-F307 HydrophobicContact CG1-CD1 3.59Å; V260-F307 HydrophobicContact CG1-CD2 4.25Å; V260-F307 HydrophobicContact CG1-CE1 4.06Å; V260-F307 HydrophobicContact CG1-CG 3.69Å; V260-F307 HydrophobicContact CG2-CB 4.27Å; V260-F307 HydrophobicContact CG2-CD1 3.96Å; V260-F307 HydrophobicContact CG2-CG 4.42Å; L297-F307 HydrophobicContact CB-CE1 4.39Å; L297-F307 HydrophobicContact CB-CZ 4.34Å; L297-F307 HydrophobicContact CD2-CE1 4.16Å; L297-F307 HydrophobicContact CD2-CZ 4.39Å; H300-F307 HydrophobicContact CB-CD1 4.38Å; H300-F307 HydrophobicContact CB-CE1 4.43Å; I301-F307 HydrophobicContact CB-CD1 4.33Å; I301-F307 HydrophobicContact CB-CE1 3.81Å; I301-F307 HydrophobicContact CB-CE2 4.2Å; I301-F307 HydrophobicContact CB-CZ 3.73Å; I301-F307 HydrophobicContact CD1-CD1 4.43Å; I301-F307 HydrophobicContact CD1-CD2 3.8Å; I301-F307 HydrophobicContact CD1-CE2 3.93Å; I301-F307 HydrophobicContact CD1-CG 4.06Å; I301-F307 HydrophobicContact CD1-CZ 4.32Å; I301-F307 HydrophobicContact CG1-CD2 4.37Å; I301-F307 HydrophobicContact CG1-CE1 4.47Å; I301-F307 HydrophobicContact CG1-CE2 3.99Å; I301-F307 HydrophobicContact CG1-CZ 4.05Å; I301-F307 HydrophobicContact CG2-CE1 4.47Å; I301-F307 HydrophobicContact CG2-CZ 4.18Å; F307-D316 PolarHBondContact N-OD1 2.93Å; F307-I319 HydrophobicContact CE2-CB 3.99Å; F307-I319 HydrophobicContact CE2-CG1 4.11Å; F307-I319 HydrophobicContact CE2-CG2 3.7Å; F307-I319 HydrophobicContact CZ-CB 4.48Å; F307-I319 HydrophobicContact CZ-CG1 4.35Å; F307-I319 HydrophobicContact CZ-CG2 3.9Å; F307-L340 HydrophobicContact CZ-CD2 4.16Å; F307-F343 HydrophobicContact CD2-CD2 4.36Å; F307-F343 AromaticContact CD2-CE2 3.89Å; F307-F343 HydrophobicContact CD2-CE2 3.89Å; F307-F343 HydrophobicContact CD2-CZ 4.05Å; F307-F343 HydrophobicContact CE2-CD1 4.2Å; F307-F343 HydrophobicContact CE2-CD2 4.17Å; F307-F343 AromaticContact CE2-CE1 3.95Å; F307-F343 HydrophobicContact CE2-CE1 3.95Å; F307-F343 AromaticContact CE2-CE2 3.9Å; F307-F343 HydrophobicContact CE2-CE2 3.9Å; F307-F343 HydrophobicContact CE2-CG 4.31Å; F307-F343 AromaticContact CE2-CZ 3.78Å; F307-F343 HydrophobicContact CE2-CZ 3.78Å
308A94.9Very high95Very high7 Ų746.6 Ų46.66%0.05825%0.254CS..SBendtrans-126.8151.2174.300000111V257 F306 T313V257-A308 HydrophobicContact CG2-CB 3.69Å; F306-A308 WeakPolarHBondContact CB-O 3.46Å; A308-T313 HydrophobicContact CB-CG2 4.08Å
309G91.1Very high94.9Very high49 Ų4946 Ų4651%0.50525%0.252SS..THydrogen-bonded Turntrans50.9-141.8172.700000116.5E253E253-G309 WeakPolarHBondContact OE1-CA 3.17Å; E253-G309 PolarHBondContact OE1-N 2.77Å
310N92.6Very high94.9Very high132 Ų13240 Ų4071%0.70623%0.225SC*.THydrogen-bonded Turntrans-126.618.7177.964.93.1000112.7
311K93Very high94.7Very high137 Ų13738.6 Ų38.660%0.59622%0.22SC*.SBendtrans-142.4151.6-179.6-69.7177.6-174.9177.80109.1
312P95.3Very high94.4Very high12 Ų1238.6 Ų38.68%0.07822%0.22CC..  trans-66.414417629.7-35000111.2F306 D316 Y317F306-P312 HydrophobicContact CD1-CB 3.88Å; F306-P312 HydrophobicContact CE1-CB 3.73Å; F306-P312 HydrophobicContact CE1-CG 4.14Å; F306-P312 HydrophobicContact CZ-CB 4.47Å; F306-P312 HydrophobicContact CZ-CG 4.44Å; P312-D316 HydrophobicContact CB-CB 4.25Å; P312-Y317 HydrophobicContact CB-CE1 4.29Å; P312-Y317 HydrophobicContact CB-CE2 4.14Å; P312-Y317 VanDerWaalsContact CG-OH 3.26Å; P312-Y317 WeakPolarHBondContact CG-OH 3.48Å
313T97.4Very high94.5Very high4 Ų432.9 Ų32.93%0.02520%0.195CC..  trans-119.6176.2175.6690000110.8L247 V257 A308 A315 D316 Y317L247-T313 CarbonylContact O-C 3.12Å; L247-T313 WeakPolarHBondContact O-CA 3.11Å; L247-T313 VanDerWaalsContact O-CB 3.26Å; L247-T313 WeakPolarHBondContact O-CB 3.43Å; V257-T313 HydrophobicContact CG2-CG2 3.89Å; A308-T313 HydrophobicContact CB-CG2 4.08Å; T313-A315 PolarHBondContact O-N 3.45Å; T313-A315 VanDerWaalsContact O-N 3.12Å; T313-A315 PolarHBondContact OG1-N 3.07Å; T313-D316 WeakPolarHBondContact CB-OD2 3.42Å; T313-D316 PolarHBondContact N-OD2 3.23Å; T313-D316 WeakPolarHBondContact O-CB 3.47Å; T313-D316 PolarHBondContact O-N 3.2Å; T313-D316 PolarHBondContact OG1-OD2 3.35Å; T313-Y317 WeakPolarHBondContact O-CD2 3.38Å; T313-Y317 PolarHBondContact O-N 2.91Å
314I96.4Very high94.3Very high1 Ų130.1 Ų30.11%0.00516%0.159CC..Hα-helixtrans-57-27.9174.871.4162.9000112.8M238 R239 L247 Y248 V257 Y261 S318M238-I314 HydrophobicContact CB-CB 4.37Å; M238-I314 HydrophobicContact CB-CD1 4.17Å; M238-I314 HydrophobicContact CE-CB 4.05Å; M238-I314 VanDerWaalsContact O-CG2 3.25Å; M238-I314 WeakPolarHBondContact O-CG2 3.44Å; R239-I314 HydrophobicContact CG-CD1 3.68Å; L247-I314 HydrophobicContact CB-CG2 4.24Å; L247-I314 PolarHBondContact O-N 2.93Å; Y248-I314 HydrophobicContact CD2-CD1 3.84Å; Y248-I314 HydrophobicContact CD2-CG1 4.02Å; Y248-I314 HydrophobicContact CE2-CD1 3.66Å; Y248-I314 HydrophobicContact CE2-CG1 4.25Å; V257-I314 HydrophobicContact CG1-CG1 3.73Å; Y261-I314 HydrophobicContact CD2-CB 4.48Å; Y261-I314 HydrophobicContact CD2-CD1 3.92Å; Y261-I314 HydrophobicContact CD2-CG1 3.99Å; Y261-I314 HydrophobicContact CE2-CD1 4.26Å; Y261-I314 HydrophobicContact CG-CD1 4.31Å; I314-S318 WeakPolarHBondContact O-CB 3.47Å; I314-S318 PolarHBondContact O-N 2.85Å
315A95.5Very high93.8Very high0 Ų026.8 Ų26.80%015%0.145CC..Hα-helixtrans-69-43.5176.400000110.8V257 V260 T313 Y317 S318 I319V257-A315 HydrophobicContact CG1-CB 4.07Å; V260-A315 HydrophobicContact CB-CB 3.95Å; V260-A315 HydrophobicContact CG1-CB 3.91Å; T313-A315 PolarHBondContact O-N 3.45Å; T313-A315 VanDerWaalsContact O-N 3.12Å; T313-A315 PolarHBondContact OG1-N 3.07Å; A315-Y317 PolarHBondContact O-N 2.85Å; A315-S318 PolarHBondContact O-N 3.37Å; A315-I319 WeakPolarHBondContact O-CG1 3.38Å; A315-I319 PolarHBondContact O-N 2.97Å
316D97.5Very high93.6Very high0 Ų020.9 Ų20.90%012%0.117CC..Hα-helixtrans-61.8-44.9177.5-57.1-87.3000111.5F306 F307 P312 T313 S318 I319 F320 F343 I347F306-D316 VanDerWaalsContact CA-OD1 3.24Å; F306-D316 WeakPolarHBondContact CA-OD1 3.49Å; F306-D316 WeakPolarHBondContact CB-OD1 3.39Å; F307-D316 PolarHBondContact N-OD1 2.93Å; P312-D316 HydrophobicContact CB-CB 4.25Å; T313-D316 WeakPolarHBondContact CB-OD2 3.42Å; T313-D316 PolarHBondContact N-OD2 3.23Å; T313-D316 WeakPolarHBondContact O-CB 3.47Å; T313-D316 PolarHBondContact O-N 3.2Å; T313-D316 PolarHBondContact OG1-OD2 3.35Å; D316-S318 VanDerWaalsContact C-N 3.35Å; D316-S318 PolarHBondContact O-N 2.66Å; D316-I319 PolarHBondContact O-N 2.56Å; D316-F320 VanDerWaalsContact O-CB 3.27Å; D316-F320 WeakPolarHBondContact O-CB 3.38Å; D316-F320 PolarHBondContact O-N 2.88Å; D316-F343 HydrophobicContact CB-CE2 3.97Å; D316-F343 HydrophobicContact CB-CZ 4.1Å; D316-F343 WeakPolarHBondContact O-CZ 3.18Å; D316-F343 WeakPolarHBondContact OD1-CE2 3.18Å; D316-I347 HydrophobicContact CB-CD1 4.4Å
317Y94.6Very high93.3Very high0 Ų022.2 Ų22.20%013%0.125CC..Hα-helixtrans-64.9-37.8175.5-59.8-59.4000112.5V190 A191 D194 N195 L247 P312 T313 A315 C321V190-Y317 HydrophobicContact CG1-CD1 3.86Å; A191-Y317 HydrophobicContact CB-CD2 3.68Å; A191-Y317 HydrophobicContact CB-CE2 4.24Å; A191-Y317 HydrophobicContact CB-CG 3.92Å; D194-Y317 HydrophobicContact CB-CE1 3.78Å; D194-Y317 VanDerWaalsContact OD2-CE1 3.28Å; D194-Y317 WeakPolarHBondContact OD2-CE1 3.48Å; D194-Y317 PolarHBondContact OD2-OH 3.15Å; N195-Y317 PolarHBondContact ND2-OH 3.39Å; L247-Y317 HydrophobicContact CD1-CE2 4.26Å; P312-Y317 HydrophobicContact CB-CE1 4.29Å; P312-Y317 HydrophobicContact CB-CE2 4.14Å; P312-Y317 VanDerWaalsContact CG-OH 3.26Å; P312-Y317 WeakPolarHBondContact CG-OH 3.48Å; T313-Y317 WeakPolarHBondContact O-CD2 3.38Å; T313-Y317 PolarHBondContact O-N 2.91Å; A315-Y317 PolarHBondContact O-N 2.85Å; Y317-C321 PolarHBondContact O-N 3.33Å; Y317-C321 VanDerWaalsContact O-N 3.09Å; Y317-C321 PolarHBondContact O-SG 2.99Å
318S91Very high92.8Very high10 Ų1025.8 Ų25.87%0.0714%0.143CC..Hα-helixtrans-66.8-46.4176.6-169.70000112.5I314 A315 D316 C321 L322I314-S318 WeakPolarHBondContact O-CB 3.47Å; I314-S318 PolarHBondContact O-N 2.85Å; A315-S318 PolarHBondContact O-N 3.37Å; D316-S318 VanDerWaalsContact C-N 3.35Å; D316-S318 PolarHBondContact O-N 2.66Å; S318-C321 PolarHBondContact O-N 3.05Å; S318-L322 PolarHBondContact O-N 3.3Å
319I95.7Very high92.5Very high0 Ų025.9 Ų25.90%014%0.142CC..Hα-helixtrans-67.4-37.7176.7-60.8-60.8000110.8V260 L297 F307 A315 D316 C321 L322 L323 F343V260-I319 HydrophobicContact CG1-CD1 4.24Å; V260-I319 HydrophobicContact CG1-CG1 3.78Å; L297-I319 HydrophobicContact CD1-CD1 4.01Å; L297-I319 HydrophobicContact CD1-CG2 4.39Å; L297-I319 HydrophobicContact CD2-CD1 3.9Å; F307-I319 HydrophobicContact CE2-CB 3.99Å; F307-I319 HydrophobicContact CE2-CG1 4.11Å; F307-I319 HydrophobicContact CE2-CG2 3.7Å; F307-I319 HydrophobicContact CZ-CB 4.48Å; F307-I319 HydrophobicContact CZ-CG1 4.35Å; F307-I319 HydrophobicContact CZ-CG2 3.9Å; A315-I319 WeakPolarHBondContact O-CG1 3.38Å; A315-I319 PolarHBondContact O-N 2.97Å; D316-I319 PolarHBondContact O-N 2.56Å; I319-C321 PolarHBondContact O-N 2.97Å; I319-L322 HydrophobicContact CD1-CD2 4.21Å; I319-L322 WeakPolarHBondContact O-CB 3.29Å; I319-L322 PolarHBondContact O-N 3.35Å; I319-L323 HydrophobicContact CG2-CD1 4.22Å; I319-L323 HydrophobicContact CG2-CG 4.19Å; I319-L323 VanDerWaalsContact O-CG 3.3Å; I319-L323 WeakPolarHBondContact O-CG 3.39Å; I319-L323 PolarHBondContact O-N 2.89Å; I319-F343 HydrophobicContact CB-CE1 4.23Å; I319-F343 HydrophobicContact CB-CZ 4.37Å; I319-F343 HydrophobicContact CG2-CE1 3.86Å; I319-F343 HydrophobicContact CG2-CZ 4.43Å
320F95.4Very high92.5Very high0 Ų024.2 Ų24.20%013%0.125CC..Hα-helixtrans-57.7-49.6173.7175.8-101.6000111.7V190 D316 L322 L323 E324 F343 H344 I347 A348 L353 L357V190-F320 HydrophobicContact CG1-CD1 4.12Å; D316-F320 VanDerWaalsContact O-CB 3.27Å; D316-F320 WeakPolarHBondContact O-CB 3.38Å; D316-F320 PolarHBondContact O-N 2.88Å; F320-L322 VanDerWaalsContact C-N 3.32Å; F320-L322 PolarHBondContact O-N 3.22Å; F320-L323 PolarHBondContact O-N 2.93Å; F320-L323 VanDerWaalsContact O-N 3.12Å; F320-E324 HydrophobicContact CD1-CG 4.42Å; F320-E324 HydrophobicContact CE1-CG 3.81Å; F320-E324 HydrophobicContact CE2-CG 4.26Å; F320-E324 HydrophobicContact CZ-CG 3.7Å; F320-E324 PolarHBondContact O-N 2.93Å; F320-F343 HydrophobicContact CB-CE1 4.42Å; F320-H344 AromaticContact CD2-CD2 3.78Å; F320-H344 AromaticContact CE2-CD2 3.46Å; F320-H344 VanDerWaalsContact CE2-CD2 3.46Å; F320-H344 WeakPolarHBondContact CE2-CD2 3.47Å; F320-H344 AromaticContact CE2-NE2 3.63Å; F320-I347 HydrophobicContact CB-CB 4.4Å; F320-I347 HydrophobicContact CB-CG2 3.84Å; F320-I347 HydrophobicContact CD1-CG2 3.94Å; F320-I347 HydrophobicContact CD2-CB 3.67Å; F320-I347 HydrophobicContact CD2-CG2 3.48Å; F320-I347 VanDerWaalsContact CD2-CG2 3.48Å; F320-I347 HydrophobicContact CE1-CG2 4.45Å; F320-I347 HydrophobicContact CE2-CB 4.24Å; F320-I347 HydrophobicContact CE2-CG2 4.06Å; F320-I347 HydrophobicContact CG-CB 4.08Å; F320-I347 HydrophobicContact CG-CG2 3.43Å; F320-I347 VanDerWaalsContact CG-CG2 3.43Å; F320-A348 HydrophobicContact CE2-CB 3.86Å; F320-A348 HydrophobicContact CZ-CB 4.07Å; F320-L353 HydrophobicContact CD1-CD2 4.39Å; F320-L353 HydrophobicContact CE1-CD2 4.21Å; F320-L357 HydrophobicContact CE1-CD1 4.27Å; F320-L357 HydrophobicContact CE1-CD2 4.28Å; F320-L357 HydrophobicContact CZ-CD1 3.81Å; F320-L357 HydrophobicContact CZ-CD2 4.4Å
321C90.1Very high92.5Very high10 Ų1022 Ų227%0.06812%0.118CC..Hα-helixtrans-61.6-38.7176.5-67.70000112.5M187 Y317 S318 I319 E324 H325M187-C321 HydrophobicContact CB-CB 4.17Å; Y317-C321 PolarHBondContact O-N 3.33Å; Y317-C321 VanDerWaalsContact O-N 3.09Å; Y317-C321 PolarHBondContact O-SG 2.99Å; S318-C321 PolarHBondContact O-N 3.05Å; I319-C321 PolarHBondContact O-N 2.97Å; C321-E324 PolarHBondContact O-N 3.08Å; C321-H325 PolarHBondContact O-N 2.8Å; C321-H325 VanDerWaalsContact O-N 3.12Å; C321-H325 PolarHBondContact O-ND1 3.06Å
322L91.2Very high92.5Very high1 Ų122.4 Ų22.41%0.00512%0.122CC..Hα-helixtrans-60.9-41.9172.7174.465.5000112.1V267 M268 V271 L297 S318 I319 F320 H325 I326V267-L322 HydrophobicContact CB-CD1 4.4Å; V267-L322 HydrophobicContact CB-CD2 3.84Å; V267-L322 HydrophobicContact CG1-CD1 4.1Å; V267-L322 HydrophobicContact CG1-CD2 3.97Å; M268-L322 HydrophobicContact CB-CD1 4.08Å; M268-L322 HydrophobicContact CE-CB 4.17Å; M268-L322 HydrophobicContact CE-CD1 3.86Å; M268-L322 HydrophobicContact SD-CD1 4.24Å; V271-L322 HydrophobicContact CG2-CD1 4.45Å; L297-L322 HydrophobicContact CD1-CD2 4.38Å; S318-L322 PolarHBondContact O-N 3.3Å; I319-L322 HydrophobicContact CD1-CD2 4.21Å; I319-L322 WeakPolarHBondContact O-CB 3.29Å; I319-L322 PolarHBondContact O-N 3.35Å; F320-L322 VanDerWaalsContact C-N 3.32Å; F320-L322 PolarHBondContact O-N 3.22Å; L322-H325 WeakPolarHBondContact O-CB 3.26Å; L322-H325 PolarHBondContact O-N 3.14Å; L322-I326 HydrophobicContact CD1-CD1 3.83Å; L322-I326 HydrophobicContact CD1-CG1 4.21Å; L322-I326 HydrophobicContact CG-CD1 3.86Å; L322-I326 WeakPolarHBondContact O-CG1 3.23Å; L322-I326 PolarHBondContact O-N 3.23Å
323L94.6Very high92.4Very high0 Ų022.7 Ų22.70%012%0.124CC..Hα-helixtrans-67.6-38.5178.5-67.8-177.7000112L294 I319 F320 H325 I326 L327 L334 L340 F343 H344L294-L323 HydrophobicContact CD2-CD2 3.82Å; I319-L323 HydrophobicContact CG2-CD1 4.22Å; I319-L323 HydrophobicContact CG2-CG 4.19Å; I319-L323 VanDerWaalsContact O-CG 3.3Å; I319-L323 WeakPolarHBondContact O-CG 3.39Å; I319-L323 PolarHBondContact O-N 2.89Å; F320-L323 PolarHBondContact O-N 2.93Å; F320-L323 VanDerWaalsContact O-N 3.12Å; L323-H325 VanDerWaalsContact C-N 3.31Å; L323-H325 PolarHBondContact O-N 3.31Å; L323-I326 PolarHBondContact O-N 3.22Å; L323-L327 VanDerWaalsContact O-CB 3.29Å; L323-L327 WeakPolarHBondContact O-CB 3.31Å; L323-L327 VanDerWaalsContact O-CG 3.26Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 3.43Å; L323-L334 HydrophobicContact CD1-CD1 4.41Å; L323-L334 HydrophobicContact CD2-CD1 4.4Å; L323-L334 HydrophobicContact CD2-CD2 3.99Å; L323-L340 HydrophobicContact CD1-CB 4.36Å; L323-L340 HydrophobicContact CD1-CD2 4.06Å; L323-L340 HydrophobicContact CD2-CD2 4.46Å; L323-F343 HydrophobicContact CD1-CD1 3.77Å; L323-F343 HydrophobicContact CD1-CE1 4Å; L323-H344 HydrophobicContact CD1-CB 3.99Å
324E89.1Confident92.3Very high30 Ų3022.8 Ų22.814%0.1412%0.124CC..Hα-helixtrans-56.8-44.8169.7-68.5-72.37200111.1F320 C321 I326 L327 I328 H344 Y362F320-E324 HydrophobicContact CD1-CG 4.42Å; F320-E324 HydrophobicContact CE1-CG 3.81Å; F320-E324 HydrophobicContact CE2-CG 4.26Å; F320-E324 HydrophobicContact CZ-CG 3.7Å; F320-E324 PolarHBondContact O-N 2.93Å; C321-E324 PolarHBondContact O-N 3.08Å; E324-I326 PolarHBondContact O-N 2.96Å; E324-L327 PolarHBondContact O-N 2.73Å; E324-I328 WeakPolarHBondContact O-CG1 3.22Å; E324-I328 PolarHBondContact O-N 2.67Å; E324-H344 IonicContact OE1-CD2 3.96Å; E324-H344 IonicContact OE1-CE1 3.55Å; E324-H344 IonicContact OE1-NE2 2.97Å; E324-H344 PolarHBondContact OE1-NE2 3.09Å; E324-Y362 PolarHBondContact OE2-OH 3.47Å; E324-Y362 VanDerWaalsContact OE2-OH 3.07Å
325H85.1Confident92.2Very high34 Ų3427 Ų2716%0.15715%0.147CC..Hα-helixtrans-62.4-43.2178.6-74.356.2000112.4M268 C321 L322 L323 L329 F367M268-H325 HydrophobicContact CE-CB 4.16Å; C321-H325 PolarHBondContact O-N 2.8Å; C321-H325 VanDerWaalsContact O-N 3.12Å; C321-H325 PolarHBondContact O-ND1 3.06Å; L322-H325 WeakPolarHBondContact O-CB 3.26Å; L322-H325 PolarHBondContact O-N 3.14Å; L323-H325 VanDerWaalsContact C-N 3.31Å; L323-H325 PolarHBondContact O-N 3.31Å; H325-L329 WeakPolarHBondContact O-CD1 3.34Å; H325-L329 WeakPolarHBondContact O-CG 3.48Å; H325-L329 PolarHBondContact O-N 2.86Å; H325-F367 HydrophobicContact CB-CE2 3.84Å; H325-F367 HydrophobicContact CB-CZ 3.63Å; H325-F367 AromaticContact CD2-CE2 3.4Å; H325-F367 VanDerWaalsContact CD2-CE2 3.4Å; H325-F367 WeakPolarHBondContact CD2-CE2 3.49Å; H325-F367 AromaticContact CD2-CZ 3.38Å; H325-F367 WeakPolarHBondContact CD2-CZ 3.45Å; H325-F367 AromaticContact CE1-CE2 3.86Å; H325-F367 AromaticContact CG-CE2 3.34Å; H325-F367 AromaticContact CG-CZ 3.47Å; H325-F367 VanDerWaalsContact CG-CZ 3.47Å; H325-F367 AromaticContact ND1-CE2 3.65Å; H325-F367 AromaticContact NE2-CE2 3.77Å
326I91.3Very high92.1Very high0 Ų033.3 Ų33.30%018%0.176CC..Hα-helixtrans-72.2-33.6179.9-60.7169.9000110.8V267 V271 F286 I290 L294 L322 L323 E324 G330 C333V267-I326 HydrophobicContact CG1-CD1 4.32Å; V271-I326 HydrophobicContact CG2-CD1 4.42Å; V271-I326 HydrophobicContact CG2-CG1 4.02Å; F286-I326 HydrophobicContact CE1-CG2 3.57Å; F286-I326 WeakPolarHBondContact CE1-O 3.46Å; F286-I326 HydrophobicContact CZ-CG2 3.96Å; I290-I326 HydrophobicContact CD1-CD1 4.15Å; I290-I326 HydrophobicContact CD1-CG1 4.3Å; I290-I326 HydrophobicContact CD1-CG2 4.34Å; I290-I326 HydrophobicContact CG2-CG2 3.88Å; L294-I326 HydrophobicContact CD1-CG2 4.5Å; L294-I326 HydrophobicContact CD2-CD1 3.99Å; L322-I326 HydrophobicContact CD1-CD1 3.83Å; L322-I326 HydrophobicContact CD1-CG1 4.21Å; L322-I326 HydrophobicContact CG-CD1 3.86Å; L322-I326 WeakPolarHBondContact O-CG1 3.23Å; L322-I326 PolarHBondContact O-N 3.23Å; L323-I326 PolarHBondContact O-N 3.22Å; E324-I326 PolarHBondContact O-N 2.96Å; I326-G330 PolarHBondContact O-N 3.43Å; I326-C333 HydrophobicContact CG2-CB 3.95Å; I326-C333 VanDerWaalsContact CG2-SG 3.6Å
327L91.3Very high92.1Very high36 Ų3633.9 Ų33.919%0.18818%0.179CC..Hα-helixtrans-70.4-41.1178.6-79.4167.7000113.5L323 E324 L329 G330 P331 L334 H344L323-L327 VanDerWaalsContact O-CB 3.29Å; L323-L327 WeakPolarHBondContact O-CB 3.31Å; L323-L327 VanDerWaalsContact O-CG 3.26Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 3.43Å; E324-L327 PolarHBondContact O-N 2.73Å; L327-L329 VanDerWaalsContact C-N 3.29Å; L327-L329 PolarHBondContact O-N 3.23Å; L327-G330 CarbonylContact O-C 3.36Å; L327-G330 PolarHBondContact O-N 3.05Å; L327-P331 VanDerWaalsContact O-CA 3.22Å; L327-P331 WeakPolarHBondContact O-CA 3.38Å; L327-P331 WeakPolarHBondContact O-CD 3.4Å; L327-P331 WeakPolarHBondContact O-CG 3.48Å; L327-P331 VanDerWaalsContact O-N 3.13Å; L327-L334 HydrophobicContact CD1-CD1 4Å; L327-L334 HydrophobicContact CD2-CD1 4.1Å; L327-L334 HydrophobicContact CD2-CG 4Å; L327-L334 HydrophobicContact CG-CD1 4.17Å; L327-L334 HydrophobicContact CG-CG 4.39Å; L327-H344 WeakPolarHBondContact CD1-NE2 3.38Å
328I86Confident92.2Very high78 Ų7837.3 Ų37.340%0.420%0.203SC..Hα-helixtrans-62.8-42.1176.3-64.7163.4000109.9E324 F367 P373E324-I328 WeakPolarHBondContact O-CG1 3.22Å; E324-I328 PolarHBondContact O-N 2.67Å; I328-F367 HydrophobicContact CD1-CD2 3.57Å; I328-F367 HydrophobicContact CD1-CE2 3.75Å; I328-F367 HydrophobicContact CD1-CG 4.22Å; I328-P373 HydrophobicContact CG2-CB 4.05Å; I328-P373 WeakPolarHBondContact CG2-OXT 3.39Å
329L88.5Confident92.5Very high9 Ų937.1 Ų37.15%0.04720%0.202CC..Hα-helixtrans-72.1-38.4178.6-74168.5000113.1V271 M274 L275 Y279 K282 F286 H325 L327 F367 P373V271-L329 HydrophobicContact CG1-CD1 3.79Å; M274-L329 HydrophobicContact CE-CD1 3.98Å; L275-L329 HydrophobicContact CD1-CD2 3.98Å; L275-L329 HydrophobicContact CD2-CD1 4.45Å; Y279-L329 HydrophobicContact CE2-CD2 4.33Å; K282-L329 HydrophobicContact CD-CD2 4.35Å; K282-L329 WeakPolarHBondContact CE-O 3.46Å; K282-L329 PolarHBondContact NZ-O 3.46Å; F286-L329 HydrophobicContact CE1-CB 4.32Å; F286-L329 HydrophobicContact CE2-CB 3.76Å; F286-L329 HydrophobicContact CE2-CD1 4.38Å; F286-L329 HydrophobicContact CZ-CB 3.41Å; F286-L329 VanDerWaalsContact CZ-CB 3.41Å; F286-L329 HydrophobicContact CZ-CD1 4.34Å; H325-L329 WeakPolarHBondContact O-CD1 3.34Å; H325-L329 WeakPolarHBondContact O-CG 3.48Å; H325-L329 PolarHBondContact O-N 2.86Å; L327-L329 VanDerWaalsContact C-N 3.29Å; L327-L329 PolarHBondContact O-N 3.23Å; L329-F367 HydrophobicContact CG-CE1 4.4Å; L329-P373 VanDerWaalsContact CD2-O 3.3Å; L329-P373 WeakPolarHBondContact CD2-O 3.48Å; L329-P373 VanDerWaalsContact CD2-OXT 3.23Å; L329-P373 WeakPolarHBondContact CD2-OXT 3.48Å
330G91.2Very high92.6Very high14 Ų1437.1 Ų37.114%0.14420%0.202CC..  trans-144.286.3-17800000112.6I326 L327 H332 C333I326-G330 PolarHBondContact O-N 3.43Å; L327-G330 CarbonylContact O-C 3.36Å; L327-G330 PolarHBondContact O-N 3.05Å; G330-H332 PolarHBondContact O-N 3.32Å; G330-C333 VanDerWaalsContact O-CB 3.28Å; G330-C333 WeakPolarHBondContact O-CB 3.41Å; G330-C333 PolarHBondContact O-N 3.46Å; G330-C333 PolarHBondContact O-SG 3.07Å
331P92.5Very high92.7Very high87 Ų8741.1 Ų41.157%0.56522%0.22SC*.THydrogen-bonded Turntrans-57.5-23.8-168.5-30.736.6000116.9L327L327-P331 VanDerWaalsContact O-CA 3.22Å; L327-P331 WeakPolarHBondContact O-CA 3.38Å; L327-P331 WeakPolarHBondContact O-CD 3.4Å; L327-P331 WeakPolarHBondContact O-CG 3.48Å; L327-P331 VanDerWaalsContact O-N 3.13Å
332H93.1Very high93.1Very high145 Ų14544.6 Ų44.667%0.67124%0.244SC*.THydrogen-bonded Turntrans-94.21.3-179-66.6-68.7000114.2G330 L334 D335G330-H332 PolarHBondContact O-N 3.32Å; H332-L334 PolarHBondContact O-N 3.11Å; H332-L334 VanDerWaalsContact O-N 3.08Å; H332-D335 IonicContact CE1-OD2 3.91Å; H332-D335 IonicContact CG-OD2 2.72Å; H332-D335 IonicContact ND1-OD2 3.33Å; H332-D335 PolarHBondContact ND1-OD2 3.4Å; H332-D335 WeakPolarHBondContact O-CB 3.5Å; H332-D335 PolarHBondContact O-N 3.16Å; H332-D335 VanDerWaalsContact O-N 3.08Å
333C92.7Very high93.4Very high18 Ų1844.6 Ų44.612%0.12224%0.244CC..THydrogen-bonded Turntrans-57.2-29-173.461.90000114.3F286 I290 L294 I326 G330 F337F286-C333 HydrophobicContact CE1-CB 4.44Å; I290-C333 HydrophobicContact CG2-CB 4.48Å; L294-C333 HydrophobicContact CD1-CB 4.25Å; I326-C333 HydrophobicContact CG2-CB 3.95Å; I326-C333 VanDerWaalsContact CG2-SG 3.6Å; G330-C333 VanDerWaalsContact O-CB 3.28Å; G330-C333 WeakPolarHBondContact O-CB 3.41Å; G330-C333 PolarHBondContact O-N 3.46Å; G330-C333 PolarHBondContact O-SG 3.07Å; C333-F337 WeakPolarHBondContact O-CD2 3.4Å; C333-F337 WeakPolarHBondContact O-CE2 3.26Å
334L95Very high93.5Very high5 Ų545.7 Ų45.73%0.02625%0.249CC..THydrogen-bonded Turntrans-94.2-0.2-178.6-55-169.8000114.5L294 L323 L327 H332 Q336 F337 L340 K341 H344L294-L334 HydrophobicContact CD1-CD2 3.96Å; L294-L334 HydrophobicContact CD2-CD2 4.38Å; L323-L334 HydrophobicContact CD1-CD1 4.41Å; L323-L334 HydrophobicContact CD2-CD1 4.4Å; L323-L334 HydrophobicContact CD2-CD2 3.99Å; L327-L334 HydrophobicContact CD1-CD1 4Å; L327-L334 HydrophobicContact CD2-CD1 4.1Å; L327-L334 HydrophobicContact CD2-CG 4Å; L327-L334 HydrophobicContact CG-CD1 4.17Å; L327-L334 HydrophobicContact CG-CG 4.39Å; H332-L334 PolarHBondContact O-N 3.11Å; H332-L334 VanDerWaalsContact O-N 3.08Å; L334-Q336 PolarHBondContact O-N 2.85Å; L334-F337 HydrophobicContact CD2-CD2 4.45Å; L334-F337 PolarHBondContact O-N 3.1Å; L334-L340 HydrophobicContact CD2-CB 4.26Å; L334-K341 HydrophobicContact CB-CB 4.12Å; L334-K341 HydrophobicContact CB-CD 4.42Å; L334-K341 HydrophobicContact CB-CG 4.32Å; L334-H344 HydrophobicContact CD1-CB 4.35Å
335D94.9Very high93.8Very high91 Ų9148.5 Ų48.549%0.48727%0.265SS..THydrogen-bonded Turntrans-65.5-21.7-175.7-74.3-25.7000113.4H332 K341H332-D335 IonicContact CE1-OD2 3.91Å; H332-D335 IonicContact CG-OD2 2.72Å; H332-D335 IonicContact ND1-OD2 3.33Å; H332-D335 PolarHBondContact ND1-OD2 3.4Å; H332-D335 WeakPolarHBondContact O-CB 3.5Å; H332-D335 PolarHBondContact O-N 3.16Å; H332-D335 VanDerWaalsContact O-N 3.08Å; D335-K341 IonicContact OD1-NZ 2.82Å; D335-K341 PolarHBondContact OD1-NZ 3.27Å
336Q94.1Very high94.3Very high131 Ų13148 Ų4861%0.61227%0.269SS*.THydrogen-bonded Turntrans-98.1-6.2172.867.1-172.7-7.400114.6L334L334-Q336 PolarHBondContact O-N 2.85Å
337F96.8Very high94.5Very high13 Ų1348 Ų486%0.05727%0.269CS..  trans-114.779.8-174.5-58.5-62.8000110.9P291 L294 E295 E298 C333 L334 G339 L340 K341P291-F337 HydrophobicContact CB-CZ 4.43Å; P291-F337 WeakPolarHBondContact O-CZ 3.29Å; L294-F337 HydrophobicContact CB-CD2 3.76Å; L294-F337 HydrophobicContact CB-CE1 4.26Å; L294-F337 HydrophobicContact CB-CE2 3.44Å; L294-F337 VanDerWaalsContact CB-CE2 3.44Å; L294-F337 HydrophobicContact CB-CG 4.31Å; L294-F337 HydrophobicContact CB-CZ 3.72Å; L294-F337 HydrophobicContact CD1-CD2 3.78Å; L294-F337 HydrophobicContact CD1-CE2 3.59Å; L294-F337 HydrophobicContact CG-CD2 4.42Å; L294-F337 HydrophobicContact CG-CE2 4.17Å; E295-F337 HydrophobicContact CB-CE1 4.11Å; E295-F337 HydrophobicContact CG-CE1 4.44Å; E298-F337 HydrophobicContact CB-CD1 3.88Å; E298-F337 HydrophobicContact CG-CB 4.48Å; E298-F337 HydrophobicContact CG-CD1 4Å; C333-F337 WeakPolarHBondContact O-CD2 3.4Å; C333-F337 WeakPolarHBondContact O-CE2 3.26Å; L334-F337 HydrophobicContact CD2-CD2 4.45Å; L334-F337 PolarHBondContact O-N 3.1Å; F337-G339 VanDerWaalsContact C-N 3.32Å; F337-G339 PolarHBondContact O-N 3.45Å; F337-L340 HydrophobicContact CB-CB 4.04Å; F337-L340 HydrophobicContact CB-CD1 3.98Å; F337-L340 HydrophobicContact CB-CG 4.43Å; F337-L340 HydrophobicContact CG-CD1 4.25Å; F337-L340 PolarHBondContact O-N 2.92Å; F337-K341 WeakPolarHBondContact O-CB 3.4Å; F337-K341 PolarHBondContact O-N 3.43Å
338S96.9Very high94.5Very high72 Ų7247 Ų4750%0.50327%0.266SS..Hα-helixtrans-65.9-30.4-171.263.20000114.1E298 K302 S342E298-S338 PolarHBondContact OE1-N 2.9Å; K302-S338 PolarHBondContact NZ-OG 2.86Å; S338-S342 VanDerWaalsContact O-CB 3.32Å; S338-S342 WeakPolarHBondContact O-CB 3.46Å; S338-S342 PolarHBondContact O-N 2.86Å
339G97.8Very high95Very high5 Ų547 Ų475%0.05227%0.273CS..Hα-helixtrans-66.3-54.617200000111.7E298 F337 K341 S342 F343E298-G339 VanDerWaalsContact CD-N 3.33Å; E298-G339 PolarHBondContact OE1-N 3.3Å; E298-G339 WeakPolarHBondContact OE2-CA 3.3Å; E298-G339 PolarHBondContact OE2-N 3.21Å; F337-G339 VanDerWaalsContact C-N 3.32Å; F337-G339 PolarHBondContact O-N 3.45Å; G339-K341 VanDerWaalsContact C-N 3.32Å; G339-K341 PolarHBondContact O-N 2.9Å; G339-S342 PolarHBondContact O-N 3.49Å; G339-S342 VanDerWaalsContact O-N 3.15Å; G339-F343 WeakPolarHBondContact O-CB 3.46Å; G339-F343 PolarHBondContact O-N 3.11Å
340L98Very high95.2Very high0 Ų049.5 Ų49.50%028%0.282CS..Hα-helixtrans-60.1-40178.1-71.6169.3000112.4L294 L297 E298 I301 F307 L323 L334 F337 F343 H344L294-L340 HydrophobicContact CB-CD1 3.99Å; L294-L340 HydrophobicContact CD2-CD1 4.01Å; L294-L340 WeakPolarHBondContact O-CD1 3.28Å; L297-L340 HydrophobicContact CB-CD1 4.19Å; L297-L340 HydrophobicContact CB-CD2 3.88Å; E298-L340 HydrophobicContact CB-CD1 4.12Å; E298-L340 HydrophobicContact CB-CG 4.36Å; E298-L340 PolarHBondContact OE2-N 2.68Å; I301-L340 HydrophobicContact CG2-CD2 3.84Å; I301-L340 HydrophobicContact CG2-CG 3.97Å; F307-L340 HydrophobicContact CZ-CD2 4.16Å; L323-L340 HydrophobicContact CD1-CB 4.36Å; L323-L340 HydrophobicContact CD1-CD2 4.06Å; L323-L340 HydrophobicContact CD2-CD2 4.46Å; L334-L340 HydrophobicContact CD2-CB 4.26Å; F337-L340 HydrophobicContact CB-CB 4.04Å; F337-L340 HydrophobicContact CB-CD1 3.98Å; F337-L340 HydrophobicContact CB-CG 4.43Å; F337-L340 HydrophobicContact CG-CD1 4.25Å; F337-L340 PolarHBondContact O-N 2.92Å; L340-F343 PolarHBondContact O-N 2.84Å; L340-H344 WeakPolarHBondContact O-CB 3.28Å; L340-H344 PolarHBondContact O-N 2.83Å
341K97.1Very high95.3Very high85 Ų8553.8 Ų53.837%0.3731%0.307SS..Hα-helixtrans-65.6-38.5175.6-163.2168.2-175.8175.70112.1L334 D335 F337 G339 N345L334-K341 HydrophobicContact CB-CB 4.12Å; L334-K341 HydrophobicContact CB-CD 4.42Å; L334-K341 HydrophobicContact CB-CG 4.32Å; D335-K341 IonicContact OD1-NZ 2.82Å; D335-K341 PolarHBondContact OD1-NZ 3.27Å; F337-K341 WeakPolarHBondContact O-CB 3.4Å; F337-K341 PolarHBondContact O-N 3.43Å; G339-K341 VanDerWaalsContact C-N 3.32Å; G339-K341 PolarHBondContact O-N 2.9Å; K341-N345 PolarHBondContact O-N 3.08Å; K341-N345 PolarHBondContact O-ND2 3.49Å
342S97Very high95.2Very high82 Ų8252.2 Ų52.257%0.57329%0.294SS*.Hα-helixtrans-69.3-39.5174.3-168.80000112.3S338 G339 G346S338-S342 VanDerWaalsContact O-CB 3.32Å; S338-S342 WeakPolarHBondContact O-CB 3.46Å; S338-S342 PolarHBondContact O-N 2.86Å; G339-S342 PolarHBondContact O-N 3.49Å; G339-S342 VanDerWaalsContact O-N 3.15Å; S342-G346 PolarHBondContact O-N 3.3Å
343F97.9Very high95Very high2 Ų245.3 Ų45.31%0.00926%0.262CS..Hα-helixtrans-64.4-49.9177.3162.7-96.2000112I301 F307 D316 I319 F320 L323 G339 L340 N345 G346 I347I301-F343 HydrophobicContact CD1-CB 4.26Å; I301-F343 HydrophobicContact CD1-CD2 3.74Å; I301-F343 HydrophobicContact CD1-CE2 4.45Å; I301-F343 HydrophobicContact CD1-CG 4.18Å; I301-F343 HydrophobicContact CG1-CB 3.61Å; I301-F343 HydrophobicContact CG1-CD2 3.96Å; I301-F343 HydrophobicContact CG1-CG 3.87Å; F307-F343 HydrophobicContact CD2-CD2 4.36Å; F307-F343 AromaticContact CD2-CE2 3.89Å; F307-F343 HydrophobicContact CD2-CE2 3.89Å; F307-F343 HydrophobicContact CD2-CZ 4.05Å; F307-F343 HydrophobicContact CE2-CD1 4.2Å; F307-F343 HydrophobicContact CE2-CD2 4.17Å; F307-F343 AromaticContact CE2-CE1 3.95Å; F307-F343 HydrophobicContact CE2-CE1 3.95Å; F307-F343 AromaticContact CE2-CE2 3.9Å; F307-F343 HydrophobicContact CE2-CE2 3.9Å; F307-F343 HydrophobicContact CE2-CG 4.31Å; F307-F343 AromaticContact CE2-CZ 3.78Å; F307-F343 HydrophobicContact CE2-CZ 3.78Å; D316-F343 HydrophobicContact CB-CE2 3.97Å; D316-F343 HydrophobicContact CB-CZ 4.1Å; D316-F343 WeakPolarHBondContact O-CZ 3.18Å; D316-F343 WeakPolarHBondContact OD1-CE2 3.18Å; I319-F343 HydrophobicContact CB-CE1 4.23Å; I319-F343 HydrophobicContact CB-CZ 4.37Å; I319-F343 HydrophobicContact CG2-CE1 3.86Å; I319-F343 HydrophobicContact CG2-CZ 4.43Å; F320-F343 HydrophobicContact CB-CE1 4.42Å; L323-F343 HydrophobicContact CD1-CD1 3.77Å; L323-F343 HydrophobicContact CD1-CE1 4Å; G339-F343 WeakPolarHBondContact O-CB 3.46Å; G339-F343 PolarHBondContact O-N 3.11Å; L340-F343 PolarHBondContact O-N 2.84Å; F343-N345 PolarHBondContact O-N 3.31Å; F343-G346 CarbonylContact O-C 3.59Å; F343-G346 WeakPolarHBondContact O-CA 3.29Å; F343-G346 PolarHBondContact O-N 2.71Å; F343-G346 VanDerWaalsContact O-N 3.07Å; F343-I347 HydrophobicContact CD2-CG1 4.14Å; F343-I347 HydrophobicContact CE1-CG1 4.4Å; F343-I347 HydrophobicContact CE2-CD1 4.08Å; F343-I347 HydrophobicContact CE2-CG1 3.7Å; F343-I347 HydrophobicContact CZ-CD1 4.48Å; F343-I347 HydrophobicContact CZ-CG1 3.84Å; F343-I347 WeakPolarHBondContact O-CG1 3.2Å; F343-I347 PolarHBondContact O-N 3.43Å
344H97.1Very high94.9Very high22 Ų2247.6 Ų47.610%0.10227%0.273CS..Hα-helixtrans-56.3-51.3178.3171.4-89.5000111.5F320 L323 E324 L327 L334 L340 G346 I347 A348F320-H344 AromaticContact CD2-CD2 3.78Å; F320-H344 AromaticContact CE2-CD2 3.46Å; F320-H344 VanDerWaalsContact CE2-CD2 3.46Å; F320-H344 WeakPolarHBondContact CE2-CD2 3.47Å; F320-H344 AromaticContact CE2-NE2 3.63Å; L323-H344 HydrophobicContact CD1-CB 3.99Å; E324-H344 IonicContact OE1-CD2 3.96Å; E324-H344 IonicContact OE1-CE1 3.55Å; E324-H344 IonicContact OE1-NE2 2.97Å; E324-H344 PolarHBondContact OE1-NE2 3.09Å; L327-H344 WeakPolarHBondContact CD1-NE2 3.38Å; L334-H344 HydrophobicContact CD1-CB 4.35Å; L340-H344 WeakPolarHBondContact O-CB 3.28Å; L340-H344 PolarHBondContact O-N 2.83Å; H344-G346 VanDerWaalsContact C-N 3.31Å; H344-G346 PolarHBondContact O-N 2.77Å; H344-I347 PolarHBondContact O-N 3.21Å; H344-A348 WeakPolarHBondContact O-CB 3.33Å; H344-A348 PolarHBondContact O-N 3.19Å
345N95.6Very high94.7Very high89 Ų8954.5 Ų54.548%0.47631%0.305SS..Hα-helixtrans-61.4-38.1174.5-76.4-68.6000112.2K341 F343 I347 S349K341-N345 PolarHBondContact O-N 3.08Å; K341-N345 PolarHBondContact O-ND2 3.49Å; F343-N345 PolarHBondContact O-N 3.31Å; N345-I347 VanDerWaalsContact C-N 3.35Å; N345-I347 PolarHBondContact O-N 3.39Å; N345-S349 VanDerWaalsContact O-CB 3.26Å; N345-S349 WeakPolarHBondContact O-CB 3.4Å; N345-S349 PolarHBondContact O-N 3.26Å; N345-S349 PolarHBondContact O-OG 3.09Å
346G96Very high94.4Very high23 Ų2350.7 Ų50.724%0.23728%0.284CS..Hα-helixtrans-66.6-30.117800000114.3S342 F343 H344 R350S342-G346 PolarHBondContact O-N 3.3Å; F343-G346 CarbonylContact O-C 3.59Å; F343-G346 WeakPolarHBondContact O-CA 3.29Å; F343-G346 PolarHBondContact O-N 2.71Å; F343-G346 VanDerWaalsContact O-N 3.07Å; H344-G346 VanDerWaalsContact C-N 3.31Å; H344-G346 PolarHBondContact O-N 2.77Å; G346-R350 WeakPolarHBondContact O-CG 3.32Å
347I94.8Very high94Very high0 Ų045 Ų450%026%0.258CS..Hα-helixtrans-80.5-50.2171.5-63.6-67.3000110.4F306 D316 F320 F343 H344 N345 S349 R350 L353F306-I347 HydrophobicContact CD1-CD1 4.06Å; F306-I347 HydrophobicContact CE1-CD1 3.78Å; D316-I347 HydrophobicContact CB-CD1 4.4Å; F320-I347 HydrophobicContact CB-CB 4.4Å; F320-I347 HydrophobicContact CB-CG2 3.84Å; F320-I347 HydrophobicContact CD1-CG2 3.94Å; F320-I347 HydrophobicContact CD2-CB 3.67Å; F320-I347 HydrophobicContact CD2-CG2 3.48Å; F320-I347 VanDerWaalsContact CD2-CG2 3.48Å; F320-I347 HydrophobicContact CE1-CG2 4.45Å; F320-I347 HydrophobicContact CE2-CB 4.24Å; F320-I347 HydrophobicContact CE2-CG2 4.06Å; F320-I347 HydrophobicContact CG-CB 4.08Å; F320-I347 HydrophobicContact CG-CG2 3.43Å; F320-I347 VanDerWaalsContact CG-CG2 3.43Å; F343-I347 HydrophobicContact CD2-CG1 4.14Å; F343-I347 HydrophobicContact CE1-CG1 4.4Å; F343-I347 HydrophobicContact CE2-CD1 4.08Å; F343-I347 HydrophobicContact CE2-CG1 3.7Å; F343-I347 HydrophobicContact CZ-CD1 4.48Å; F343-I347 HydrophobicContact CZ-CG1 3.84Å; F343-I347 WeakPolarHBondContact O-CG1 3.2Å; F343-I347 PolarHBondContact O-N 3.43Å; H344-I347 PolarHBondContact O-N 3.21Å; N345-I347 VanDerWaalsContact C-N 3.35Å; N345-I347 PolarHBondContact O-N 3.39Å; I347-S349 PolarHBondContact O-N 2.88Å; I347-S349 VanDerWaalsContact O-N 3.12Å; I347-R350 WeakPolarHBondContact O-CB 3.44Å; I347-R350 WeakPolarHBondContact O-CG 3.13Å; I347-R350 PolarHBondContact O-N 2.65Å; I347-R350 VanDerWaalsContact O-N 3.09Å; I347-L353 HydrophobicContact CG2-CD2 3.44Å; I347-L353 VanDerWaalsContact CG2-CD2 3.44Å
348A92.1Very high93.6Very high17 Ų1749.7 Ų49.714%0.1428%0.28CS..Hα-helixtrans-62.5-19.7-178.100000114.7F320 H344 N354 L357F320-A348 HydrophobicContact CE2-CB 3.86Å; F320-A348 HydrophobicContact CZ-CB 4.07Å; H344-A348 WeakPolarHBondContact O-CB 3.33Å; H344-A348 PolarHBondContact O-N 3.19Å; A348-N354 WeakPolarHBondContact O-CA 3.36Å; A348-N354 VanDerWaalsContact O-CB 3.29Å; A348-N354 WeakPolarHBondContact O-CB 3.26Å; A348-N354 PolarHBondContact O-ND2 2.89Å; A348-L357 HydrophobicContact CB-CD1 3.86Å
349S95Very high93.2Very high78 Ų7847.7 Ų47.755%0.54527%0.266SS..THydrogen-bonded Turntrans-94.5-2177.557.40000114.7N345 I347N345-S349 VanDerWaalsContact O-CB 3.26Å; N345-S349 WeakPolarHBondContact O-CB 3.4Å; N345-S349 PolarHBondContact O-N 3.26Å; N345-S349 PolarHBondContact O-OG 3.09Å; I347-S349 PolarHBondContact O-N 2.88Å; I347-S349 VanDerWaalsContact O-N 3.12Å
350R93.9Very high92.6Very high60 Ų6051.5 Ų51.523%0.22629%0.292CS..SBendtrans-62.5133.4173.4-68.3172.755.480.1-1.7109.7D194 G346 I347 N352 L353 N354D194-R350 WeakPolarHBondContact OD1-CB 3.39Å; D194-R350 IonicContact OD1-CZ 3.67Å; D194-R350 IonicContact OD1-NE 3.24Å; D194-R350 PolarHBondContact OD1-NE 3.42Å; D194-R350 IonicContact OD1-NH2 2.73Å; D194-R350 IonicContact OD2-CZ 3.22Å; D194-R350 IonicContact OD2-NE 3.4Å; D194-R350 PolarHBondContact OD2-NE 2.9Å; D194-R350 IonicContact OD2-NH2 3.87Å; D194-R350 PolarHBondContact OD2-NH2 2.87Å; G346-R350 WeakPolarHBondContact O-CG 3.32Å; I347-R350 WeakPolarHBondContact O-CB 3.44Å; I347-R350 WeakPolarHBondContact O-CG 3.13Å; I347-R350 PolarHBondContact O-N 2.65Å; I347-R350 VanDerWaalsContact O-N 3.09Å; R350-N352 PolarHBondContact O-N 3.03Å; R350-L353 HydrophobicContact CB-CB 4.42Å; R350-L353 PolarHBondContact O-N 3.35Å; R350-N354 VanDerWaalsContact O-CB 3.28Å; R350-N354 WeakPolarHBondContact O-CB 3.33Å; R350-N354 PolarHBondContact O-N 3.02Å
351P92.1Very high91.7Very high105 Ų10555.1 Ų55.168%0.68231%0.309SS*.Hα-helixtrans-54.1-46.9-165.1-30.135.6000115.1H355P351-H355 WeakPolarHBondContact O-CB 3.18Å; P351-H355 PolarHBondContact O-N 3.12Å; P351-H355 VanDerWaalsContact O-N 3.09Å
352N90.7Very high91Very high53 Ų5353.5 Ų53.528%0.28330%0.301SS..Hα-helixtrans-66.5-48.3-177.5-56.9-20.7000111.3D194 Q196 R350 Y356D194-N352 PolarHBondContact O-ND2 2.82Å; Q196-N352 WeakPolarHBondContact CG-ND2 3.35Å; Q196-N352 PolarHBondContact NE2-ND2 3.49Å; R350-N352 PolarHBondContact O-N 3.03Å; N352-Y356 PolarHBondContact O-N 3.17Å; N352-Y356 VanDerWaalsContact O-N 3.16Å
353L88.6Confident90.1Very high0 Ų055.3 Ų55.30%030%0.298CS..Hα-helixtrans-68.9-39.8178.9-176.752.5000111.9V190 D194 F320 I347 R350 H355 Y356 L357V190-L353 HydrophobicContact CG1-CD1 3.9Å; V190-L353 HydrophobicContact CG1-CD2 3.91Å; V190-L353 HydrophobicContact CG2-CD1 4.37Å; D194-L353 HydrophobicContact CB-CB 4.11Å; D194-L353 WeakPolarHBondContact OD1-CB 3.48Å; F320-L353 HydrophobicContact CD1-CD2 4.39Å; F320-L353 HydrophobicContact CE1-CD2 4.21Å; I347-L353 HydrophobicContact CG2-CD2 3.44Å; I347-L353 VanDerWaalsContact CG2-CD2 3.44Å; R350-L353 HydrophobicContact CB-CB 4.42Å; R350-L353 PolarHBondContact O-N 3.35Å; L353-H355 VanDerWaalsContact C-N 3.34Å; L353-H355 PolarHBondContact O-N 2.88Å; L353-Y356 HydrophobicContact CD1-CD1 4.02Å; L353-Y356 CarbonylContact O-C 3.59Å; L353-Y356 WeakPolarHBondContact O-CB 3.3Å; L353-Y356 PolarHBondContact O-N 3.05Å; L353-Y356 VanDerWaalsContact O-N 3.11Å; L353-L357 HydrophobicContact CD1-CD1 4.2Å; L353-L357 HydrophobicContact CD1-CD2 4.23Å; L353-L357 HydrophobicContact CD1-CG 3.92Å; L353-L357 HydrophobicContact CG-CD1 3.89Å; L353-L357 HydrophobicContact CG-CG 4.13Å; L353-L357 VanDerWaalsContact O-CG 3.28Å; L353-L357 WeakPolarHBondContact O-CG 3.5Å; L353-L357 PolarHBondContact O-N 3.12Å
354N91.8Very high89.1Confident66 Ų6661.4 Ų61.435%0.35333%0.331SS..Hα-helixtrans-60.1-44.9176.6-169.2-100.9000111.4A348 R350 Y356 L357 Q358A348-N354 WeakPolarHBondContact O-CA 3.36Å; A348-N354 VanDerWaalsContact O-CB 3.29Å; A348-N354 WeakPolarHBondContact O-CB 3.26Å; A348-N354 PolarHBondContact O-ND2 2.89Å; R350-N354 VanDerWaalsContact O-CB 3.28Å; R350-N354 WeakPolarHBondContact O-CB 3.33Å; R350-N354 PolarHBondContact O-N 3.02Å; N354-Y356 VanDerWaalsContact C-N 3.3Å; N354-Y356 PolarHBondContact O-N 2.76Å; N354-L357 PolarHBondContact O-N 3.16Å; N354-Q358 WeakPolarHBondContact O-CB 3.46Å; N354-Q358 VanDerWaalsContact O-CG 3.3Å; N354-Q358 WeakPolarHBondContact O-CG 3.35Å; N354-Q358 PolarHBondContact O-N 3.44Å
355H90.5Very high88Confident150 Ų15063.7 Ų63.769%0.69434%0.338SS*.Hα-helixtrans-58.2-42.4173.7-179-96.4000111.9P351 L353 Q358 S359P351-H355 WeakPolarHBondContact O-CB 3.18Å; P351-H355 PolarHBondContact O-N 3.12Å; P351-H355 VanDerWaalsContact O-N 3.09Å; L353-H355 VanDerWaalsContact C-N 3.34Å; L353-H355 PolarHBondContact O-N 2.88Å; H355-Q358 PolarHBondContact O-N 3.1Å; H355-S359 PolarHBondContact O-N 3.33Å
356Y87.7Confident86.6Confident11 Ų1163.8 Ų63.84%0.04334%0.344CS..Hα-helixtrans-64.9-50.2174.9174.5-127.8000113E186 V190 R193 N352 L353 N354 Q358 S359 E361 Y362 R365E186-Y356 PolarHBondContact OE1-OH 2.76Å; V190-Y356 HydrophobicContact CG2-CE1 4.48Å; R193-Y356 HydrophobicContact CB-CD1 4.46Å; R193-Y356 PolarHBondContact NH1-OH 2.9Å; N352-Y356 PolarHBondContact O-N 3.17Å; N352-Y356 VanDerWaalsContact O-N 3.16Å; L353-Y356 HydrophobicContact CD1-CD1 4.02Å; L353-Y356 CarbonylContact O-C 3.59Å; L353-Y356 WeakPolarHBondContact O-CB 3.3Å; L353-Y356 PolarHBondContact O-N 3.05Å; L353-Y356 VanDerWaalsContact O-N 3.11Å; N354-Y356 VanDerWaalsContact C-N 3.3Å; N354-Y356 PolarHBondContact O-N 2.76Å; Y356-Q358 PolarHBondContact O-N 3.24Å; Y356-S359 WeakPolarHBondContact O-CB 3.2Å; Y356-S359 PolarHBondContact O-N 3.27Å; Y356-S359 PolarHBondContact O-OG 2.95Å; Y356-E361 WeakPolarHBondContact CE2-OE1 3.43Å; Y356-Y362 HydrophobicContact CD1-CD2 4.49Å; Y356-Y362 AromaticContact CE1-CD2 3.73Å; Y356-Y362 HydrophobicContact CE1-CD2 3.73Å; Y356-Y362 HydrophobicContact CE1-CE2 4.39Å; Y356-Y362 HydrophobicContact CE1-CG 4.45Å; Y356-Y362 HydrophobicContact CE2-CD2 4.46Å; Y356-Y362 AromaticContact CZ-CD2 3.71Å; Y356-Y362 WeakPolarHBondContact O-CB 3.47Å; Y356-R365 PolarHBondContact OH-NH1 3.09Å
357L86.5Confident85.1Confident12 Ų1265.1 Ų65.16%0.06334%0.344CS..Hα-helixtrans-61.2-27.4179-64.6171.9000112.3F320 A348 L353 N354 Y362 K363F320-L357 HydrophobicContact CE1-CD1 4.27Å; F320-L357 HydrophobicContact CE1-CD2 4.28Å; F320-L357 HydrophobicContact CZ-CD1 3.81Å; F320-L357 HydrophobicContact CZ-CD2 4.4Å; A348-L357 HydrophobicContact CB-CD1 3.86Å; L353-L357 HydrophobicContact CD1-CD1 4.2Å; L353-L357 HydrophobicContact CD1-CD2 4.23Å; L353-L357 HydrophobicContact CD1-CG 3.92Å; L353-L357 HydrophobicContact CG-CD1 3.89Å; L353-L357 HydrophobicContact CG-CG 4.13Å; L353-L357 VanDerWaalsContact O-CG 3.28Å; L353-L357 WeakPolarHBondContact O-CG 3.5Å; L353-L357 PolarHBondContact O-N 3.12Å; N354-L357 PolarHBondContact O-N 3.16Å; L357-Y362 HydrophobicContact CB-CD1 4.3Å; L357-Y362 HydrophobicContact CB-CE1 4.48Å; L357-Y362 HydrophobicContact CD2-CD1 3.8Å; L357-Y362 HydrophobicContact CD2-CD2 4.16Å; L357-Y362 HydrophobicContact CD2-CE1 3.4Å; L357-Y362 HydrophobicContact CD2-CE2 3.8Å; L357-Y362 HydrophobicContact CD2-CG 4.16Å; L357-Y362 WeakPolarHBondContact O-CD1 3.48Å; L357-K363 WeakPolarHBondContact O-CE 3.35Å
358Q89.4Confident83.6Confident111 Ų11165.7 Ų65.752%0.51935%0.347SS..Hα-helixtrans-83.5-12.2174.5-66.1-52.8-39.900114.5N354 H355 Y356 K363N354-Q358 WeakPolarHBondContact O-CB 3.46Å; N354-Q358 VanDerWaalsContact O-CG 3.3Å; N354-Q358 WeakPolarHBondContact O-CG 3.35Å; N354-Q358 PolarHBondContact O-N 3.44Å; H355-Q358 PolarHBondContact O-N 3.1Å; Y356-Q358 PolarHBondContact O-N 3.24Å; Q358-K363 WeakPolarHBondContact O-CE 3.23Å; Q358-K363 PolarHBondContact O-NZ 3.24Å
359S87.4Confident81.9Confident31 Ų3168.6 Ų68.622%0.21738%0.379CS..SBendtrans-66.7157.1179.875.90000113.4H355 Y356 E361 Y362 K363H355-S359 PolarHBondContact O-N 3.33Å; Y356-S359 WeakPolarHBondContact O-CB 3.2Å; Y356-S359 PolarHBondContact O-N 3.27Å; Y356-S359 PolarHBondContact O-OG 2.95Å; S359-E361 PolarHBondContact O-N 3.19Å; S359-E361 PolarHBondContact OG-N 3.14Å; S359-Y362 PolarHBondContact OG-N 2.87Å; S359-Y362 VanDerWaalsContact OG-N 3.14Å; S359-K363 WeakPolarHBondContact O-CB 2.91Å; S359-K363 WeakPolarHBondContact O-CD 3.49Å; S359-K363 WeakPolarHBondContact O-CG 3.35Å; S359-K363 PolarHBondContact O-N 2.94Å
360S84.4Confident80.1Confident85 Ų8572 Ų7259%0.59439%0.386SS*.Hα-helixtrans-65.3-28.1167.9470000112.5N364S360-N364 WeakPolarHBondContact O-CB 3.28Å; S360-N364 PolarHBondContact O-N 3.2Å; S360-N364 PolarHBondContact O-ND2 3.48Å
361E80.3Confident78.1Confident76 Ų7672.1 Ų72.136%0.35541%0.405SS..Hα-helixtrans-64.5-45178.7-165.7-145.3115.300111.7R193 Y356 S359 R365R193-E361 IonicContact CZ-OE1 3.56Å; R193-E361 VanDerWaalsContact CZ-OE1 3.24Å; R193-E361 IonicContact CZ-OE2 2.67Å; R193-E361 IonicContact NH1-OE1 3.77Å; R193-E361 PolarHBondContact NH1-OE1 3.38Å; R193-E361 IonicContact NH1-OE2 3.14Å; R193-E361 VanDerWaalsContact NH2-CD 3.31Å; R193-E361 IonicContact NH2-OE1 2.61Å; R193-E361 PolarHBondContact NH2-OE1 3.48Å; R193-E361 VanDerWaalsContact NH2-OE1 3.14Å; R193-E361 IonicContact NH2-OE2 2.71Å; R193-E361 PolarHBondContact NH2-OE2 2.64Å; Y356-E361 WeakPolarHBondContact CE2-OE1 3.43Å; S359-E361 PolarHBondContact O-N 3.19Å; S359-E361 PolarHBondContact OG-N 3.14Å; E361-R365 WeakPolarHBondContact O-CB 3.46Å; E361-R365 PolarHBondContact O-N 3.35Å; E361-R365 IonicContact OE1-CZ 3.08Å; E361-R365 IonicContact OE1-NH1 3.44Å; E361-R365 IonicContact OE1-NH2 3.48Å; E361-R365 PolarHBondContact OE1-NH2 2.99Å
362Y81.5Confident76.4Confident51 Ų5172.1 Ų72.120%0.239%0.392CS..Hα-helixtrans-68.6-51.6174.5-172.7-107.7000111.3E324 Y356 L357 S359 N364 R365E324-Y362 PolarHBondContact OE2-OH 3.47Å; E324-Y362 VanDerWaalsContact OE2-OH 3.07Å; Y356-Y362 HydrophobicContact CD1-CD2 4.49Å; Y356-Y362 AromaticContact CE1-CD2 3.73Å; Y356-Y362 HydrophobicContact CE1-CD2 3.73Å; Y356-Y362 HydrophobicContact CE1-CE2 4.39Å; Y356-Y362 HydrophobicContact CE1-CG 4.45Å; Y356-Y362 HydrophobicContact CE2-CD2 4.46Å; Y356-Y362 AromaticContact CZ-CD2 3.71Å; Y356-Y362 WeakPolarHBondContact O-CB 3.47Å; L357-Y362 HydrophobicContact CB-CD1 4.3Å; L357-Y362 HydrophobicContact CB-CE1 4.48Å; L357-Y362 HydrophobicContact CD2-CD1 3.8Å; L357-Y362 HydrophobicContact CD2-CD2 4.16Å; L357-Y362 HydrophobicContact CD2-CE1 3.4Å; L357-Y362 HydrophobicContact CD2-CE2 3.8Å; L357-Y362 HydrophobicContact CD2-CG 4.16Å; L357-Y362 WeakPolarHBondContact O-CD1 3.48Å; S359-Y362 PolarHBondContact OG-N 2.87Å; S359-Y362 VanDerWaalsContact OG-N 3.14Å; Y362-N364 VanDerWaalsContact C-N 3.3Å; Y362-N364 PolarHBondContact O-N 2.95Å; Y362-R365 WeakPolarHBondContact O-CB 3.22Å; Y362-R365 PolarHBondContact O-N 2.81Å; Y362-R365 VanDerWaalsContact O-N 3.16Å
363K79.6Confident74.4Confident119 Ų11973.2 Ų73.252%0.51740%0.402SS..Hα-helixtrans-66-26.4-173.6-71169.8178165.20114.7L357 Q358 S359L357-K363 WeakPolarHBondContact O-CE 3.35Å; Q358-K363 WeakPolarHBondContact O-CE 3.23Å; Q358-K363 PolarHBondContact O-NZ 3.24Å; S359-K363 WeakPolarHBondContact O-CB 2.91Å; S359-K363 WeakPolarHBondContact O-CD 3.49Å; S359-K363 WeakPolarHBondContact O-CG 3.35Å; S359-K363 PolarHBondContact O-N 2.94Å
364N76.7Confident73.7Confident131 Ų13176.9 Ų76.970%0.70142%0.422SS*.THydrogen-bonded Turntrans-95.4-6.4178.5-60.5-8.8000112.9S360 Y362S360-N364 WeakPolarHBondContact O-CB 3.28Å; S360-N364 PolarHBondContact O-N 3.2Å; S360-N364 PolarHBondContact O-ND2 3.48Å; Y362-N364 VanDerWaalsContact C-N 3.3Å; Y362-N364 PolarHBondContact O-N 2.95Å
365R73.9Confident72.7Confident69 Ų6977.4 Ų77.426%0.2643%0.425SS..SBendtrans-71.1124.8177.4178.6168-74.2161.5-2.1109.1E186 D201 Y356 E361 Y362 F367E186-R365 IonicContact OE1-CZ 2.7Å; E186-R365 IonicContact OE1-NH1 3.77Å; E186-R365 PolarHBondContact OE1-NH1 2.88Å; E186-R365 IonicContact OE2-NH1 3.93Å; E186-R365 PolarHBondContact OE2-NH1 3.26Å; D201-R365 IonicContact OD2-CZ 3.51Å; D201-R365 IonicContact OD2-NH1 2.86Å; D201-R365 IonicContact OD2-NH2 2.7Å; D201-R365 PolarHBondContact OD2-NH2 3.06Å; Y356-R365 PolarHBondContact OH-NH1 3.09Å; E361-R365 WeakPolarHBondContact O-CB 3.46Å; E361-R365 PolarHBondContact O-N 3.35Å; E361-R365 IonicContact OE1-CZ 3.08Å; E361-R365 IonicContact OE1-NH1 3.44Å; E361-R365 IonicContact OE1-NH2 3.48Å; E361-R365 PolarHBondContact OE1-NH2 2.99Å; Y362-R365 WeakPolarHBondContact O-CB 3.22Å; Y362-R365 PolarHBondContact O-N 2.81Å; Y362-R365 VanDerWaalsContact O-N 3.16Å; R365-F367 PolarHBondContact O-N 3.15Å
366P65.9Low71.7Confident92 Ų9273.4 Ų73.460%0.59741%0.41SS*.  trans-65.5129.2177.627.5-34.3000109.8T368P366-T368 VanDerWaalsContact C-N 3.29Å; P366-T368 PolarHBondContact O-N 2.99Å
367F64.7Low70.8Confident51 Ų5177.1 Ų77.122%0.22443%0.432CS..SBendtrans-59.7-37.5-176.7175.5-112.8000113L275 H325 I328 L329 R365 P373L275-F367 HydrophobicContact CD2-CE1 4.04Å; H325-F367 HydrophobicContact CB-CE2 3.84Å; H325-F367 HydrophobicContact CB-CZ 3.63Å; H325-F367 AromaticContact CD2-CE2 3.4Å; H325-F367 VanDerWaalsContact CD2-CE2 3.4Å; H325-F367 WeakPolarHBondContact CD2-CE2 3.49Å; H325-F367 AromaticContact CD2-CZ 3.38Å; H325-F367 WeakPolarHBondContact CD2-CZ 3.45Å; H325-F367 AromaticContact CE1-CE2 3.86Å; H325-F367 AromaticContact CG-CE2 3.34Å; H325-F367 AromaticContact CG-CZ 3.47Å; H325-F367 VanDerWaalsContact CG-CZ 3.47Å; H325-F367 AromaticContact ND1-CE2 3.65Å; H325-F367 AromaticContact NE2-CE2 3.77Å; I328-F367 HydrophobicContact CD1-CD2 3.57Å; I328-F367 HydrophobicContact CD1-CE2 3.75Å; I328-F367 HydrophobicContact CD1-CG 4.22Å; L329-F367 HydrophobicContact CG-CE1 4.4Å; R365-F367 PolarHBondContact O-N 3.15Å; F367-P373 VanDerWaalsContact CD1-OXT 3.26Å; F367-P373 WeakPolarHBondContact CD1-OXT 3.49Å; F367-P373 WeakPolarHBondContact CE1-OXT 3.3Å
368T63.4Low69.8Low12 Ų1281.1 Ų81.17%0.07446%0.455CS..SBendtrans-125.9153.8167.762.30000111.1L275 F276 P366 H370 G371 R372L275-T368 HydrophobicContact CD2-CG2 3.54Å; L275-T368 HydrophobicContact CG-CG2 4.26Å; F276-T368 HydrophobicContact CE1-CG2 4.16Å; F276-T368 HydrophobicContact CZ-CG2 3.84Å; P366-T368 VanDerWaalsContact C-N 3.29Å; P366-T368 PolarHBondContact O-N 2.99Å; T368-H370 PolarHBondContact O-N 3.41Å; T368-G371 PolarHBondContact O-N 3.44Å; T368-R372 PolarHBondContact OG1-N 3.08Å; T368-R372 VanDerWaalsContact OG1-N 3.08Å; T368-R372 PolarHBondContact OG1-O 2.61Å
369G56.9Low68.5Low78 Ų7879.1 Ų79.180%0.80445%0.451SS*.THydrogen-bonded Turntrans-63.8-0.917300000115.1
370H57.1Low67.2Low149 Ų14982.6 Ų82.669%0.6947%0.467SS*.THydrogen-bonded Turntrans-112.812173.6-61.9-30000112.7F276 T368 R372F276-H370 AromaticContact CE1-CD2 3.98Å; T368-H370 PolarHBondContact O-N 3.41Å; H370-R372 PolarHBondContact O-N 2.81Å; H370-R372 VanDerWaalsContact O-N 3.12Å
371G51.8Low65.8Low62 Ų6282.4 Ų82.464%0.63946%0.458SS*.SBendtrans67.29.8177.200000115T368T368-G371 PolarHBondContact O-N 3.44Å
372R56Low64.6Low106 Ų10682.9 Ų82.940%0.447%0.466SS..  trans-77.4134.6170.2-66.8-174.5179.8177.8-1.1109.6L275 T368 H370L275-R372 HydrophobicContact CD1-CB 4.39Å; L275-R372 PolarHBondContact O-NH1 2.82Å; T368-R372 PolarHBondContact OG1-N 3.08Å; T368-R372 VanDerWaalsContact OG1-N 3.08Å; T368-R372 PolarHBondContact OG1-O 2.61Å; H370-R372 PolarHBondContact O-N 2.81Å; H370-R372 VanDerWaalsContact O-N 3.12Å
373P48.1Very low63.1Low75 Ų7585.8 Ų85.849%0.48749%0.49SS..  trans-75.30162.637-35.9000111.3I328 L329 F367I328-P373 HydrophobicContact CG2-CB 4.05Å; I328-P373 WeakPolarHBondContact CG2-OXT 3.39Å; L329-P373 VanDerWaalsContact CD2-O 3.3Å; L329-P373 WeakPolarHBondContact CD2-O 3.48Å; L329-P373 VanDerWaalsContact CD2-OXT 3.23Å; L329-P373 WeakPolarHBondContact CD2-OXT 3.48Å; F367-P373 VanDerWaalsContact CD1-OXT 3.26Å; F367-P373 WeakPolarHBondContact CD1-OXT 3.49Å; F367-P373 WeakPolarHBondContact CE1-OXT 3.3Å

Retrieved 373 of 373 residues in 825.6 ms (Link to these results)

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