A0A077Z0Y2_TRITR Loading...

7TM GPCR Srsx domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0Y2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M61.3Low75.9Confident53 Ų5369.9 Ų69.926%0.26137%0.373SS..  0-68.70-63.1-168.797.100113.8L3 A4 I5 S40 W206 Y213M1-L3 PolarHBondContact O-N 3.01Å; M1-A4 WeakPolarHBondContact O-CB 3.39Å; M1-A4 PolarHBondContact O-N 3.34Å; M1-I5 HydrophobicContact CB-CD1 4.34Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; M1-I5 PolarHBondContact O-N 3.26Å; M1-S40 WeakPolarHBondContact CG-OG 3.45Å; M1-W206 HydrophobicContact CE-CZ3 4.07Å; M1-Y213 HydrophobicContact CE-CE2 4.06Å; M1-Y213 HydrophobicContact SD-CD2 4.32Å; M1-Y213 HydrophobicContact SD-CE2 3.83Å
2T72Confident76.3Confident113 Ų11368.4 Ų68.469%0.69336%0.364SS*.Hα-helixtrans-55-44.7-169.16.40000115.2I5 V6T2-I5 PolarHBondContact O-N 3.49Å; T2-V6 VanDerWaalsContact O-CG2 3.27Å; T2-V6 WeakPolarHBondContact O-CG2 3.41Å; T2-V6 PolarHBondContact O-N 3.35Å
3L74.2Confident76.8Confident145 Ų14568.8 Ų68.876%0.75938%0.383SS*.Hα-helixtrans-66-38.3178-69.8174.1000112.9M1 V6 W7M1-L3 PolarHBondContact O-N 3.01Å; L3-V6 PolarHBondContact O-N 3.49Å; L3-W7 WeakPolarHBondContact O-CB 3.15Å; L3-W7 PolarHBondContact O-N 3.48Å
4A75.4Confident77.5Confident2 Ų272 Ų722%0.01741%0.405CS..Hα-helixtrans-64.3-43.2177.800000110.9M1 W7 E8 L36 Y37M1-A4 WeakPolarHBondContact O-CB 3.39Å; M1-A4 PolarHBondContact O-N 3.34Å; A4-W7 PolarHBondContact O-N 2.92Å; A4-E8 WeakPolarHBondContact O-CB 3.02Å; A4-E8 PolarHBondContact O-N 3.03Å; A4-L36 HydrophobicContact CB-CB 3.87Å; A4-Y37 HydrophobicContact CB-CD1 4.16Å; A4-Y37 HydrophobicContact CB-CD2 4.11Å; A4-Y37 HydrophobicContact CB-CE1 4.07Å; A4-Y37 HydrophobicContact CB-CE2 4.04Å; A4-Y37 HydrophobicContact CB-CG 4.19Å
5I74.3Confident78Confident29 Ų2971.3 Ų71.315%0.14940%0.396CS..Hα-helixtrans-63.5-47.3176.7-62.8160000111.6M1 T2 W7 E8 S9 Y37 I210M1-I5 HydrophobicContact CB-CD1 4.34Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; M1-I5 PolarHBondContact O-N 3.26Å; T2-I5 PolarHBondContact O-N 3.49Å; I5-W7 VanDerWaalsContact C-N 3.26Å; I5-W7 PolarHBondContact O-N 3.36Å; I5-E8 PolarHBondContact O-N 3.36Å; I5-S9 VanDerWaalsContact O-CB 3.32Å; I5-S9 WeakPolarHBondContact O-CB 3.34Å; I5-S9 PolarHBondContact O-N 3.29Å; I5-S9 PolarHBondContact O-OG 3.22Å; I5-Y37 WeakPolarHBondContact CA-OH 3.28Å; I5-Y37 HydrophobicContact CD1-CE1 4.5Å; I5-Y37 HydrophobicContact CG1-CE1 3.63Å; I5-Y37 WeakPolarHBondContact CG1-OH 3.19Å; I5-I210 HydrophobicContact CD1-CD1 3.94Å; I5-I210 HydrophobicContact CD1-CG1 3.88Å; I5-I210 HydrophobicContact CG1-CD1 4.42Å; I5-I210 HydrophobicContact CG2-CD1 4.21Å
6V77.6Confident78.1Confident86 Ų8677.9 Ų77.952%0.52141%0.414SS..Hα-helixtrans-60.3-41.8178170.40000110T2 L3 T10T2-V6 VanDerWaalsContact O-CG2 3.27Å; T2-V6 WeakPolarHBondContact O-CG2 3.41Å; T2-V6 PolarHBondContact O-N 3.35Å; L3-V6 PolarHBondContact O-N 3.49Å; V6-T10 VanDerWaalsContact O-CB 3.29Å; V6-T10 WeakPolarHBondContact O-CB 3.34Å; V6-T10 PolarHBondContact O-N 2.91Å; V6-T10 PolarHBondContact O-OG1 3.11Å
7W79.3Confident78.4Confident132 Ų13282.4 Ų82.450%0.544%0.438SS..Hα-helixtrans-64.1-49.6177.4-163.5-56.8000112.3L3 A4 I5 T10 R11 P32 Y33L3-W7 WeakPolarHBondContact O-CB 3.15Å; L3-W7 PolarHBondContact O-N 3.48Å; A4-W7 PolarHBondContact O-N 2.92Å; I5-W7 VanDerWaalsContact C-N 3.26Å; I5-W7 PolarHBondContact O-N 3.36Å; W7-T10 PolarHBondContact O-N 2.95Å; W7-R11 WeakPolarHBondContact O-CB 3.19Å; W7-R11 PolarHBondContact O-N 3.29Å; W7-P32 HydrophobicContact CZ2-CG 4.44Å; W7-Y33 HydrophobicContact CB-CD1 4.46Å; W7-Y33 AromaticContact CD1-CD1 3.56Å; W7-Y33 HydrophobicContact CG-CD1 4.2Å
8E80.2Confident78.6Confident29 Ų2979.6 Ų79.614%0.13643%0.426CS..Hα-helixtrans-57.4-50.8177.4179.6176.2-152.300110.8A4 I5 T10 R11 I12 Y33 Y37A4-E8 WeakPolarHBondContact O-CB 3.02Å; A4-E8 PolarHBondContact O-N 3.03Å; I5-E8 PolarHBondContact O-N 3.36Å; E8-T10 VanDerWaalsContact C-N 3.32Å; E8-T10 PolarHBondContact O-N 3.45Å; E8-R11 PolarHBondContact O-N 3.44Å; E8-R11 VanDerWaalsContact O-N 3.12Å; E8-I12 HydrophobicContact CG-CD1 3.81Å; E8-I12 HydrophobicContact CG-CG1 4.49Å; E8-I12 WeakPolarHBondContact O-CG1 3.4Å; E8-I12 PolarHBondContact O-N 2.95Å; E8-Y33 HydrophobicContact CB-CD1 4.21Å; E8-Y33 HydrophobicContact CB-CD2 3.99Å; E8-Y33 HydrophobicContact CB-CE1 4.2Å; E8-Y33 HydrophobicContact CB-CE2 4.11Å; E8-Y33 HydrophobicContact CB-CG 4.1Å; E8-Y33 HydrophobicContact CG-CD2 4.29Å; E8-Y33 HydrophobicContact CG-CE2 3.96Å; E8-Y37 HydrophobicContact CB-CE2 4.47Å; E8-Y37 WeakPolarHBondContact OE2-CE2 3.41Å; E8-Y37 VanDerWaalsContact OE2-CZ 3.24Å; E8-Y37 PolarHBondContact OE2-OH 2.97Å
9S78Confident78.9Confident64 Ų6481.7 Ų81.745%0.44845%0.445SS..Hα-helixtrans-60.2-42179.7-55.10000112I5 A13I5-S9 VanDerWaalsContact O-CB 3.32Å; I5-S9 WeakPolarHBondContact O-CB 3.34Å; I5-S9 PolarHBondContact O-N 3.29Å; I5-S9 PolarHBondContact O-OG 3.22Å; S9-A13 WeakPolarHBondContact O-CB 3.22Å; S9-A13 PolarHBondContact O-N 3.4Å
10T81.3Confident79.3Confident77 Ų7781.1 Ų81.147%0.47244%0.439SS..Hα-helixtrans-66.2-40.4177.3-54.10000110.9V6 W7 E8 A13 V14V6-T10 VanDerWaalsContact O-CB 3.29Å; V6-T10 WeakPolarHBondContact O-CB 3.34Å; V6-T10 PolarHBondContact O-N 2.91Å; V6-T10 PolarHBondContact O-OG1 3.11Å; W7-T10 PolarHBondContact O-N 2.95Å; E8-T10 VanDerWaalsContact C-N 3.32Å; E8-T10 PolarHBondContact O-N 3.45Å; T10-A13 PolarHBondContact O-N 3.45Å; T10-V14 HydrophobicContact CG2-CG2 4.29Å; T10-V14 WeakPolarHBondContact O-CB 3.35Å; T10-V14 VanDerWaalsContact O-CG2 3.25Å; T10-V14 WeakPolarHBondContact O-CG2 3.5Å; T10-V14 PolarHBondContact O-N 3.46Å
11R81.1Confident79.8Confident39 Ų3982.4 Ų82.415%0.14744%0.443CS..Hα-helixtrans-66.2-45.7178.6-170.1-178.9-171.8112.23.4111.5W7 E8 A13 V14 K15 K30 S31 Y33 V108W7-R11 WeakPolarHBondContact O-CB 3.19Å; W7-R11 PolarHBondContact O-N 3.29Å; E8-R11 PolarHBondContact O-N 3.44Å; E8-R11 VanDerWaalsContact O-N 3.12Å; R11-A13 VanDerWaalsContact C-N 3.29Å; R11-A13 PolarHBondContact O-N 3.02Å; R11-V14 PolarHBondContact O-N 3.34Å; R11-K15 WeakPolarHBondContact O-CB 3.38Å; R11-K15 PolarHBondContact O-N 2.92Å; R11-K30 PolarHBondContact NH1-O 2.77Å; R11-S31 WeakPolarHBondContact CD-OG 3.19Å; R11-S31 PolarHBondContact NH1-OG 2.93Å; R11-Y33 HydrophobicContact CB-CE1 4.46Å; R11-V108 PolarHBondContact NE-O 2.92Å; R11-V108 PolarHBondContact NH2-O 3.22Å
12I81.6Confident81.1Confident52 Ų5280.2 Ų80.227%0.26743%0.433SS..Hα-helixtrans-57.3-46.1175.2-67.9168.6000109.7E8 K15 Y16 Q109E8-I12 HydrophobicContact CG-CD1 3.81Å; E8-I12 HydrophobicContact CG-CG1 4.49Å; E8-I12 WeakPolarHBondContact O-CG1 3.4Å; E8-I12 PolarHBondContact O-N 2.95Å; I12-K15 PolarHBondContact O-N 3.1Å; I12-Y16 VanDerWaalsContact O-CA 3.27Å; I12-Y16 WeakPolarHBondContact O-CA 3.44Å; I12-Y16 WeakPolarHBondContact O-CB 3.34Å; I12-Y16 PolarHBondContact O-N 3.13Å; I12-Q109 HydrophobicContact CG1-CB 4.5Å
13A82.8Confident81.9Confident73 Ų7376 Ų7660%0.60341%0.407SS*.Hα-helixtrans-63.9-43.6178.900000113.2S9 T10 R11S9-A13 WeakPolarHBondContact O-CB 3.22Å; S9-A13 PolarHBondContact O-N 3.4Å; T10-A13 PolarHBondContact O-N 3.45Å; R11-A13 VanDerWaalsContact C-N 3.29Å; R11-A13 PolarHBondContact O-N 3.02Å
14V86.3Confident82.6Confident114 Ų11469.1 Ų69.169%0.69137%0.371SS*.Hα-helixtrans-72.4-30.9-178.5170.90000112.3T10 R11T10-V14 HydrophobicContact CG2-CG2 4.29Å; T10-V14 WeakPolarHBondContact O-CB 3.35Å; T10-V14 VanDerWaalsContact O-CG2 3.25Å; T10-V14 WeakPolarHBondContact O-CG2 3.5Å; T10-V14 PolarHBondContact O-N 3.46Å; R11-V14 PolarHBondContact O-N 3.34Å
15K85.1Confident83.2Confident62 Ų6272.9 Ų72.927%0.2739%0.387SS..THydrogen-bonded Turntrans-109.716.1-175.5-69.8-70.7-168.1162.30113.5R11 I12 D17 S18 E20 V108 Q109R11-K15 WeakPolarHBondContact O-CB 3.38Å; R11-K15 PolarHBondContact O-N 2.92Å; I12-K15 PolarHBondContact O-N 3.1Å; K15-D17 VanDerWaalsContact C-N 3.3Å; K15-D17 PolarHBondContact O-N 2.8Å; K15-S18 WeakPolarHBondContact O-CB 3.4Å; K15-S18 PolarHBondContact O-N 3.34Å; K15-S18 VanDerWaalsContact O-N 3.12Å; K15-E20 IonicContact NZ-OE2 3.07Å; K15-E20 PolarHBondContact NZ-OE2 2.96Å; K15-V108 HydrophobicContact CB-CG1 4.05Å; K15-V108 HydrophobicContact CD-CG1 3.96Å; K15-V108 HydrophobicContact CD-CG2 4.19Å; K15-V108 HydrophobicContact CG-CG1 4.24Å; K15-V108 HydrophobicContact CG-CG2 4.43Å; K15-Q109 HydrophobicContact CB-CG 4.25Å
16Y79.9Confident84Confident177 Ų17775.7 Ų75.769%0.69440%0.399SS*.THydrogen-bonded Turntrans-52.6-44.9-173.4-177.7-100.5000113.2I12 Q109I12-Y16 VanDerWaalsContact O-CA 3.27Å; I12-Y16 WeakPolarHBondContact O-CA 3.44Å; I12-Y16 WeakPolarHBondContact O-CB 3.34Å; I12-Y16 PolarHBondContact O-N 3.13Å; Y16-Q109 PolarHBondContact O-NE2 3.47Å
17D81.8Confident84.6Confident153 Ų15371.6 Ų71.682%0.81838%0.375SS*.THydrogen-bonded Turntrans-10620.5-177-160.329.6000113.1K15 P19K15-D17 VanDerWaalsContact C-N 3.3Å; K15-D17 PolarHBondContact O-N 2.8Å; D17-P19 WeakPolarHBondContact O-CD 3.3Å
18S83.1Confident85.1Confident32 Ų3265.4 Ų65.422%0.22435%0.351CS..  trans-84.9122.3-177.8-167.80000110.5K15 E20K15-S18 WeakPolarHBondContact O-CB 3.4Å; K15-S18 PolarHBondContact O-N 3.34Å; K15-S18 VanDerWaalsContact O-N 3.12Å; S18-E20 PolarHBondContact O-N 3.32Å
19P84.6Confident85.6Confident120 Ų12068.2 Ų68.278%0.77937%0.37SS*.  trans-79.34.4176.433.7-36.9000113.1D17 M21D17-P19 WeakPolarHBondContact O-CD 3.3Å; P19-M21 PolarHBondContact O-N 3.31Å
20E87.1Confident86Confident70 Ų7070.1 Ų70.133%0.32737%0.37SS..  trans-67.4126.7-179.2-173.7-173.7170.300109.5K15 S18 K30 V108K15-E20 IonicContact NZ-OE2 3.07Å; K15-E20 PolarHBondContact NZ-OE2 2.96Å; S18-E20 PolarHBondContact O-N 3.32Å; E20-K30 IonicContact OE1-NZ 3.97Å; E20-K30 PolarHBondContact OE1-NZ 3.34Å; E20-K30 VanDerWaalsContact OE1-NZ 3.17Å; E20-V108 HydrophobicContact CB-CB 3.98Å; E20-V108 HydrophobicContact CB-CG1 3.93Å; E20-V108 HydrophobicContact CB-CG2 4.43Å; E20-V108 HydrophobicContact CG-CB 4.22Å; E20-V108 HydrophobicContact CG-CG2 4.35Å; E20-V108 VanDerWaalsContact O-CB 3.26Å; E20-V108 WeakPolarHBondContact O-CB 3.42Å; E20-V108 WeakPolarHBondContact O-CG1 3.49Å; E20-V108 PolarHBondContact O-N 3.08Å
21M88.4Confident86.3Confident108 Ų10866.4 Ų66.453%0.53235%0.348SS..EExtended strand (participates in β ladder)trans-110143.2175.4-60.7-69-173.700110.3P19 L105 I106P19-M21 PolarHBondContact O-N 3.31Å; M21-L105 HydrophobicContact CB-CB 3.96Å; M21-L105 HydrophobicContact CB-CD2 4.48Å; M21-I106 CarbonylContact C-O 3.58Å; M21-I106 WeakPolarHBondContact CA-O 3.5Å
22L88.8Confident86.4Confident8 Ų867.1 Ų67.14%0.04236%0.357CS..EExtended strand (participates in β ladder)trans-130.2158.9-178.6-64.5177000110.7Q26 K30 I106 V108L22-Q26 HydrophobicContact CB-CB 4.3Å; L22-Q26 HydrophobicContact CD2-CB 4.48Å; L22-K30 HydrophobicContact CD1-CD 3.78Å; L22-I106 PolarHBondContact N-O 3.39Å; L22-I106 VanDerWaalsContact O-CG1 3.28Å; L22-I106 WeakPolarHBondContact O-CG1 3.3Å; L22-I106 PolarHBondContact O-N 3.03Å; L22-V108 HydrophobicContact CD1-CB 4.18Å; L22-V108 HydrophobicContact CD1-CG2 3.82Å; L22-V108 HydrophobicContact CG-CB 4.42Å; L22-V108 HydrophobicContact CG-CG2 4.45Å
23T88.9Confident86.6Confident25 Ų2564.6 Ų64.615%0.15335%0.345CS..  trans-75.9153.2166.4570000110.7F25 Q26 C27 N99 L105T23-F25 PolarHBondContact O-N 3.39Å; T23-Q26 VanDerWaalsContact N-OE1 3.08Å; T23-Q26 WeakPolarHBondContact O-CB 3.36Å; T23-Q26 PolarHBondContact O-N 3.47Å; T23-Q26 WeakPolarHBondContact OG1-CB 3.39Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.48Å; T23-Q26 PolarHBondContact OG1-N 2.94Å; T23-Q26 PolarHBondContact OG1-OE1 3.02Å; T23-C27 PolarHBondContact O-N 3.24Å; T23-N99 WeakPolarHBondContact CB-OD1 3.49Å; T23-N99 WeakPolarHBondContact CG2-OD1 3.49Å; T23-L105 HydrophobicContact CG2-CD2 4.3Å
24P88.9Confident86.8Confident0 Ų061.2 Ų61.20%032%0.316CS..Hα-helixtrans-51.2-43.1175.7-29.735.7000113.3C27 M28 S95 Q98 T104 I106 V115P24-C27 VanDerWaalsContact O-CB 3.3Å; P24-C27 WeakPolarHBondContact O-CB 3.35Å; P24-C27 PolarHBondContact O-N 3.28Å; P24-C27 VanDerWaalsContact O-N 3.16Å; P24-M28 PolarHBondContact O-N 3.24Å; P24-S95 VanDerWaalsContact C-OG 3.29Å; P24-S95 PolarHBondContact O-OG 3.39Å; P24-Q98 HydrophobicContact CG-CG 4.48Å; P24-T104 WeakPolarHBondContact CD-O 3.15Å; P24-I106 HydrophobicContact CB-CD1 4.45Å; P24-I106 HydrophobicContact CG-CD1 4.32Å; P24-V115 WeakPolarHBondContact CB-O 3.22Å
25F88.8Confident87Confident80 Ų8056.5 Ų56.535%0.35129%0.288SS..Hα-helixtrans-62.7-45176.7176.3-105.3000112.6T23 C27 M28 V29 W92 S95 V96T23-F25 PolarHBondContact O-N 3.39Å; F25-C27 PolarHBondContact O-N 3.3Å; F25-M28 WeakPolarHBondContact O-CB 3.36Å; F25-M28 PolarHBondContact O-N 3.28Å; F25-V29 HydrophobicContact CE1-CG2 4.11Å; F25-V29 HydrophobicContact CE2-CG2 4.24Å; F25-V29 HydrophobicContact CZ-CG2 3.94Å; F25-V29 WeakPolarHBondContact O-CG2 3.45Å; F25-V29 PolarHBondContact O-N 2.89Å; F25-V29 VanDerWaalsContact O-N 3.08Å; F25-W92 HydrophobicContact CD2-CE3 4.5Å; F25-W92 HydrophobicContact CD2-CZ3 4.46Å; F25-W92 HydrophobicContact CE2-CE3 4.08Å; F25-W92 AromaticContact CE2-CZ3 3.92Å; F25-W92 HydrophobicContact CE2-CZ3 3.92Å; F25-S95 PolarHBondContact N-OG 3.3Å; F25-V96 HydrophobicContact CD2-CG2 3.44Å; F25-V96 VanDerWaalsContact CD2-CG2 3.44Å; F25-V96 HydrophobicContact CE2-CG2 3.84Å; F25-V96 HydrophobicContact CG-CG2 4.26Å
26Q90.5Very high87.2Confident88 Ų8857 Ų5741%0.41129%0.293SS..Hα-helixtrans-62.6-34174.8-75.3168-26.500111.9L22 T23 V29 K30L22-Q26 HydrophobicContact CB-CB 4.3Å; L22-Q26 HydrophobicContact CD2-CB 4.48Å; T23-Q26 VanDerWaalsContact N-OE1 3.08Å; T23-Q26 WeakPolarHBondContact O-CB 3.36Å; T23-Q26 PolarHBondContact O-N 3.47Å; T23-Q26 WeakPolarHBondContact OG1-CB 3.39Å; T23-Q26 WeakPolarHBondContact OG1-CG 3.48Å; T23-Q26 PolarHBondContact OG1-N 2.94Å; T23-Q26 PolarHBondContact OG1-OE1 3.02Å; Q26-V29 PolarHBondContact O-N 2.85Å; Q26-K30 WeakPolarHBondContact O-CB 3.4Å; Q26-K30 WeakPolarHBondContact O-CG 3.44Å; Q26-K30 PolarHBondContact O-N 3.5Å
27C89.9Confident87.5Confident0 Ų049.2 Ų49.20%026%0.262CS..Hα-helixtrans-63.7-44.6173.2-94.20000112.1T23 P24 F25 V29 K30 S31 I106 C110 V115T23-C27 PolarHBondContact O-N 3.24Å; P24-C27 VanDerWaalsContact O-CB 3.3Å; P24-C27 WeakPolarHBondContact O-CB 3.35Å; P24-C27 PolarHBondContact O-N 3.28Å; P24-C27 VanDerWaalsContact O-N 3.16Å; F25-C27 PolarHBondContact O-N 3.3Å; C27-V29 VanDerWaalsContact C-N 3.31Å; C27-V29 PolarHBondContact O-N 3.33Å; C27-K30 PolarHBondContact O-N 2.92Å; C27-S31 WeakPolarHBondContact O-CA 3.24Å; C27-S31 WeakPolarHBondContact O-CB 3.5Å; C27-S31 PolarHBondContact O-N 3.47Å; C27-I106 HydrophobicContact CB-CD1 4.11Å; C27-C110 WeakPolarHBondContact CA-SG 3.46Å; C27-C110 HydrophobicContact CB-CB 3.62Å; C27-C110 WeakPolarHBondContact CB-SG 3.48Å; C27-C110 VanDerWaalsContact SG-CA 3.54Å; C27-C110 WeakPolarHBondContact SG-CB 3.31Å; C27-C110 CovalentContact SG-SG 2.04Å; C27-C110 PolarHBondContact SG-SG 3.1Å; C27-V115 HydrophobicContact CB-CG1 4.39Å; C27-V115 HydrophobicContact CB-CG2 3.89Å
28M89.8Confident87.8Confident2 Ų242.1 Ų42.11%0.0123%0.225CC..Hα-helixtrans-59.3-40.4174.8-70.2-65.8-72.500112.5P24 F25 S31 P34 T35 C91 W92 S95 V115P24-M28 PolarHBondContact O-N 3.24Å; F25-M28 WeakPolarHBondContact O-CB 3.36Å; F25-M28 PolarHBondContact O-N 3.28Å; M28-S31 CarbonylContact O-C 3.57Å; M28-P34 HydrophobicContact SD-CB 3.77Å; M28-P34 HydrophobicContact SD-CG 4.04Å; M28-T35 WeakPolarHBondContact CE-OG1 3.44Å; M28-C91 WeakPolarHBondContact CE-SG 3.32Å; M28-W92 HydrophobicContact CB-CH2 4.09Å; M28-W92 HydrophobicContact CB-CZ2 4.27Å; M28-W92 HydrophobicContact CB-CZ3 4.22Å; M28-W92 HydrophobicContact CE-CD2 4.22Å; M28-W92 HydrophobicContact CE-CG 4.25Å; M28-W92 HydrophobicContact CE-CZ2 4.36Å; M28-S95 WeakPolarHBondContact CG-OG 3.31Å; M28-V115 HydrophobicContact CG-CG1 3.63Å; M28-V115 HydrophobicContact SD-CG1 3.5Å; M28-V115 VanDerWaalsContact SD-CG1 3.5Å
29V90.2Very high88.2Confident88 Ų8843 Ų4353%0.53323%0.226SC..Hα-helixtrans-71.7-45.6178.5175.50000111.8F25 Q26 C27 S31 W92F25-V29 HydrophobicContact CE1-CG2 4.11Å; F25-V29 HydrophobicContact CE2-CG2 4.24Å; F25-V29 HydrophobicContact CZ-CG2 3.94Å; F25-V29 WeakPolarHBondContact O-CG2 3.45Å; F25-V29 PolarHBondContact O-N 2.89Å; F25-V29 VanDerWaalsContact O-N 3.08Å; Q26-V29 PolarHBondContact O-N 2.85Å; C27-V29 VanDerWaalsContact C-N 3.31Å; C27-V29 PolarHBondContact O-N 3.33Å; V29-S31 VanDerWaalsContact C-N 3.29Å; V29-S31 PolarHBondContact O-N 3.5Å; V29-W92 HydrophobicContact CG2-CH2 4.01Å; V29-W92 HydrophobicContact CG2-CZ3 3.87Å
30K88.2Confident88.4Confident104 Ų10438 Ų3845%0.45219%0.194SC..Hα-helixtrans-76.9-16.2-179.1-72.1-173.4179.3178.50112.9R11 E20 L22 Q26 C27R11-K30 PolarHBondContact NH1-O 2.77Å; E20-K30 IonicContact OE1-NZ 3.97Å; E20-K30 PolarHBondContact OE1-NZ 3.34Å; E20-K30 VanDerWaalsContact OE1-NZ 3.17Å; L22-K30 HydrophobicContact CD1-CD 3.78Å; Q26-K30 WeakPolarHBondContact O-CB 3.4Å; Q26-K30 WeakPolarHBondContact O-CG 3.44Å; Q26-K30 PolarHBondContact O-N 3.5Å; C27-K30 PolarHBondContact O-N 2.92Å
31S86.5Confident88.4Confident0 Ų034.9 Ų34.90%018%0.18CC..  trans-142.4101.2-172.1-144.30000110.9R11 C27 M28 V29 Y33 P34R11-S31 WeakPolarHBondContact CD-OG 3.19Å; R11-S31 PolarHBondContact NH1-OG 2.93Å; C27-S31 WeakPolarHBondContact O-CA 3.24Å; C27-S31 WeakPolarHBondContact O-CB 3.5Å; C27-S31 PolarHBondContact O-N 3.47Å; M28-S31 CarbonylContact O-C 3.57Å; V29-S31 VanDerWaalsContact C-N 3.29Å; V29-S31 PolarHBondContact O-N 3.5Å; S31-Y33 VanDerWaalsContact C-N 3.3Å; S31-Y33 PolarHBondContact O-N 2.94Å; S31-Y33 WeakPolarHBondContact OG-CD1 3.48Å; S31-Y33 WeakPolarHBondContact OG-CE1 3.5Å; S31-P34 WeakPolarHBondContact O-CD 3.46Å
32P84.1Confident88.6Confident53 Ų5330 Ų3034%0.34416%0.156SC..  trans-79-10.2-174.830.6-35000113.7W7 T35 L36W7-P32 HydrophobicContact CZ2-CG 4.44Å; P32-T35 WeakPolarHBondContact O-CB 3.47Å; P32-T35 PolarHBondContact O-N 3.21Å; P32-T35 VanDerWaalsContact O-N 3.12Å; P32-L36 WeakPolarHBondContact O-CG 3.43Å; P32-L36 PolarHBondContact O-N 2.94Å
33Y84.6Confident88.8Confident0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-60.1-33.5-174.465.2-106.6000115.4W7 E8 R11 S31 T35 L36 Y37 Q109 C110 N112W7-Y33 HydrophobicContact CB-CD1 4.46Å; W7-Y33 AromaticContact CD1-CD1 3.56Å; W7-Y33 HydrophobicContact CG-CD1 4.2Å; E8-Y33 HydrophobicContact CB-CD1 4.21Å; E8-Y33 HydrophobicContact CB-CD2 3.99Å; E8-Y33 HydrophobicContact CB-CE1 4.2Å; E8-Y33 HydrophobicContact CB-CE2 4.11Å; E8-Y33 HydrophobicContact CB-CG 4.1Å; E8-Y33 HydrophobicContact CG-CD2 4.29Å; E8-Y33 HydrophobicContact CG-CE2 3.96Å; R11-Y33 HydrophobicContact CB-CE1 4.46Å; S31-Y33 VanDerWaalsContact C-N 3.3Å; S31-Y33 PolarHBondContact O-N 2.94Å; S31-Y33 WeakPolarHBondContact OG-CD1 3.48Å; S31-Y33 WeakPolarHBondContact OG-CE1 3.5Å; Y33-T35 VanDerWaalsContact C-N 3.27Å; Y33-T35 PolarHBondContact O-N 3.13Å; Y33-L36 PolarHBondContact O-N 3.24Å; Y33-Y37 HydrophobicContact CD2-CD2 4.15Å; Y33-Y37 AromaticContact CD2-CE2 3.95Å; Y33-Y37 HydrophobicContact CD2-CE2 3.95Å; Y33-Y37 WeakPolarHBondContact O-CD2 3.35Å; Y33-Y37 PolarHBondContact O-N 3.45Å; Y33-Q109 PolarHBondContact OH-O 2.88Å; Y33-C110 VanDerWaalsContact OH-CB 3.3Å; Y33-C110 WeakPolarHBondContact OH-CB 3.38Å; Y33-C110 PolarHBondContact OH-O 3.25Å; Y33-N112 WeakPolarHBondContact CD2-OD1 3.3Å; Y33-N112 WeakPolarHBondContact CE2-OD1 3Å
34P86.6Confident88.7Confident1 Ų132.3 Ų32.31%0.00617%0.17CC..Hα-helixtrans-59.9-42.6175.6-2032.4000110.7M28 S31 L36 Y37 I38 N112M28-P34 HydrophobicContact SD-CB 3.77Å; M28-P34 HydrophobicContact SD-CG 4.04Å; S31-P34 WeakPolarHBondContact O-CD 3.46Å; P34-L36 VanDerWaalsContact C-N 3.35Å; P34-L36 PolarHBondContact O-N 2.91Å; P34-Y37 PolarHBondContact O-N 3.09Å; P34-I38 WeakPolarHBondContact O-CD1 3.34Å; P34-I38 WeakPolarHBondContact O-CG1 3.49Å; P34-I38 PolarHBondContact O-N 2.88Å; P34-N112 WeakPolarHBondContact CA-OD1 3.38Å; P34-N112 VanDerWaalsContact CB-OD1 3.26Å; P34-N112 WeakPolarHBondContact CB-OD1 3.48Å; P34-N112 VanDerWaalsContact CG-OD1 3.31Å; P34-N112 WeakPolarHBondContact CG-OD1 3.29Å
35T90.9Very high88.8Confident16 Ų1632.3 Ų32.310%0.09817%0.17CC..Hα-helixtrans-64.1-40.1174.6-55.20000111.3M28 P32 Y33 Y37 I38 I39 V88 W92M28-T35 WeakPolarHBondContact CE-OG1 3.44Å; P32-T35 WeakPolarHBondContact O-CB 3.47Å; P32-T35 PolarHBondContact O-N 3.21Å; P32-T35 VanDerWaalsContact O-N 3.12Å; Y33-T35 VanDerWaalsContact C-N 3.27Å; Y33-T35 PolarHBondContact O-N 3.13Å; T35-Y37 VanDerWaalsContact C-N 3.33Å; T35-Y37 PolarHBondContact O-N 3.14Å; T35-I38 PolarHBondContact O-N 3.34Å; T35-I39 HydrophobicContact CG2-CD1 3.9Å; T35-I39 HydrophobicContact CG2-CG1 4.42Å; T35-I39 VanDerWaalsContact O-CG1 3.29Å; T35-I39 WeakPolarHBondContact O-CG1 3.36Å; T35-I39 PolarHBondContact O-N 3.15Å; T35-V88 HydrophobicContact CG2-CG1 3.93Å; T35-V88 HydrophobicContact CG2-CG2 4.09Å; T35-W92 PolarHBondContact OG1-NE1 3.44Å; T35-W92 VanDerWaalsContact OG1-NE1 3.13Å
36L89.6Confident89Confident72 Ų7228.8 Ų28.838%0.37716%0.155SC..Hα-helixtrans-66.2-33178.4-65.8175.2000113.2A4 P32 Y33 P34 S40A4-L36 HydrophobicContact CB-CB 3.87Å; P32-L36 WeakPolarHBondContact O-CG 3.43Å; P32-L36 PolarHBondContact O-N 2.94Å; Y33-L36 PolarHBondContact O-N 3.24Å; P34-L36 VanDerWaalsContact C-N 3.35Å; P34-L36 PolarHBondContact O-N 2.91Å; L36-S40 VanDerWaalsContact O-CB 3.31Å; L36-S40 WeakPolarHBondContact O-CB 3.42Å; L36-S40 PolarHBondContact O-N 3.02Å; L36-S40 PolarHBondContact O-OG 3.44Å
37Y85.8Confident89.1Confident13 Ų1326.6 Ų26.65%0.05115%0.152CC..Hα-helixtrans-63.2-52173.9-82.5-65.5000111.1A4 I5 E8 Y33 P34 T35 I39 S40 D41 N112A4-Y37 HydrophobicContact CB-CD1 4.16Å; A4-Y37 HydrophobicContact CB-CD2 4.11Å; A4-Y37 HydrophobicContact CB-CE1 4.07Å; A4-Y37 HydrophobicContact CB-CE2 4.04Å; A4-Y37 HydrophobicContact CB-CG 4.19Å; I5-Y37 WeakPolarHBondContact CA-OH 3.28Å; I5-Y37 HydrophobicContact CD1-CE1 4.5Å; I5-Y37 HydrophobicContact CG1-CE1 3.63Å; I5-Y37 WeakPolarHBondContact CG1-OH 3.19Å; E8-Y37 HydrophobicContact CB-CE2 4.47Å; E8-Y37 WeakPolarHBondContact OE2-CE2 3.41Å; E8-Y37 VanDerWaalsContact OE2-CZ 3.24Å; E8-Y37 PolarHBondContact OE2-OH 2.97Å; Y33-Y37 HydrophobicContact CD2-CD2 4.15Å; Y33-Y37 AromaticContact CD2-CE2 3.95Å; Y33-Y37 HydrophobicContact CD2-CE2 3.95Å; Y33-Y37 WeakPolarHBondContact O-CD2 3.35Å; Y33-Y37 PolarHBondContact O-N 3.45Å; P34-Y37 PolarHBondContact O-N 3.09Å; T35-Y37 VanDerWaalsContact C-N 3.33Å; T35-Y37 PolarHBondContact O-N 3.14Å; Y37-I39 PolarHBondContact O-N 3.43Å; Y37-S40 CarbonylContact O-C 3.55Å; Y37-S40 WeakPolarHBondContact O-CA 3.42Å; Y37-S40 PolarHBondContact O-N 3.49Å; Y37-S40 PolarHBondContact O-OG 3.05Å; Y37-D41 PolarHBondContact O-N 3.28Å; Y37-N112 WeakPolarHBondContact CD2-ND2 3.16Å; Y37-N112 VanDerWaalsContact CE2-ND2 3.28Å; Y37-N112 WeakPolarHBondContact CE2-ND2 3.31Å
38I88.8Confident89.1Confident5 Ų527.3 Ų27.33%0.02616%0.156CC..Hα-helixtrans-56.9-49.8178.9-68.3161.4000110.8P34 T35 S40 D41 T42 D87 C91 L116 F120P34-I38 WeakPolarHBondContact O-CD1 3.34Å; P34-I38 WeakPolarHBondContact O-CG1 3.49Å; P34-I38 PolarHBondContact O-N 2.88Å; T35-I38 PolarHBondContact O-N 3.34Å; I38-S40 PolarHBondContact O-N 2.88Å; I38-D41 PolarHBondContact O-N 2.88Å; I38-T42 PolarHBondContact O-N 2.96Å; I38-T42 VanDerWaalsContact O-N 3.11Å; I38-T42 PolarHBondContact O-OG1 3.4Å; I38-D87 HydrophobicContact CG2-CB 4.5Å; I38-D87 WeakPolarHBondContact CG2-OD2 3.36Å; I38-C91 HydrophobicContact CD1-CB 3.7Å; I38-C91 WeakPolarHBondContact CD1-SG 3.26Å; I38-L116 HydrophobicContact CD1-CD1 3.76Å; I38-F120 HydrophobicContact CD1-CE1 3.64Å; I38-F120 HydrophobicContact CD1-CZ 3.46Å; I38-F120 VanDerWaalsContact CD1-CZ 3.46Å; I38-F120 HydrophobicContact CG1-CE1 4.05Å; I38-F120 HydrophobicContact CG1-CZ 3.92Å; I38-F120 HydrophobicContact CG2-CZ 4.37Å
39I92.3Very high89.2Confident50 Ų5028 Ų2826%0.25616%0.159SC..Hα-helixtrans-55.8-43.5174.7-70.1169.5000110.2T35 Y37 T43 I84 V88T35-I39 HydrophobicContact CG2-CD1 3.9Å; T35-I39 HydrophobicContact CG2-CG1 4.42Å; T35-I39 VanDerWaalsContact O-CG1 3.29Å; T35-I39 WeakPolarHBondContact O-CG1 3.36Å; T35-I39 PolarHBondContact O-N 3.15Å; Y37-I39 PolarHBondContact O-N 3.43Å; I39-T43 WeakPolarHBondContact O-CB 3.36Å; I39-T43 PolarHBondContact O-N 3.28Å; I39-T43 PolarHBondContact O-OG1 3.39Å; I39-I84 HydrophobicContact CG1-CG2 4.37Å; I39-I84 HydrophobicContact CG2-CD1 4.38Å; I39-V88 HydrophobicContact CD1-CG2 4Å; I39-V88 HydrophobicContact CG1-CG2 3.61Å
40S88.6Confident89.4Confident15 Ų1525.6 Ų25.611%0.10514%0.142CC..Hα-helixtrans-70.4-38.6-176.271.90000113.7M1 L36 Y37 I38 T43 V44M1-S40 WeakPolarHBondContact CG-OG 3.45Å; L36-S40 VanDerWaalsContact O-CB 3.31Å; L36-S40 WeakPolarHBondContact O-CB 3.42Å; L36-S40 PolarHBondContact O-N 3.02Å; L36-S40 PolarHBondContact O-OG 3.44Å; Y37-S40 CarbonylContact O-C 3.55Å; Y37-S40 WeakPolarHBondContact O-CA 3.42Å; Y37-S40 PolarHBondContact O-N 3.49Å; Y37-S40 PolarHBondContact O-OG 3.05Å; I38-S40 PolarHBondContact O-N 2.88Å; S40-T43 PolarHBondContact O-N 2.96Å; S40-V44 VanDerWaalsContact O-CG2 3.27Å; S40-V44 WeakPolarHBondContact O-CG2 3.31Å; S40-V44 PolarHBondContact O-N 3.18Å
41D86.7Confident89.5Confident4 Ų423.8 Ų23.82%0.02114%0.137CC..Hα-helixtrans-65.4-46.6178.5-71.2-18.6000110.4Y37 I38 V44 S45 H124Y37-D41 PolarHBondContact O-N 3.28Å; I38-D41 PolarHBondContact O-N 2.88Å; D41-V44 PolarHBondContact O-N 3.33Å; D41-S45 PolarHBondContact O-N 2.83Å; D41-H124 IonicContact OD2-NE2 3.97Å
42T91.8Very high89.7Confident7 Ų723.8 Ų23.84%0.04314%0.137CC..Hα-helixtrans-66.3-38.4176.6-57.40000112.3I38 V44 S45 E46 I84 D87 H124 N128I38-T42 PolarHBondContact O-N 2.96Å; I38-T42 VanDerWaalsContact O-N 3.11Å; I38-T42 PolarHBondContact O-OG1 3.4Å; T42-V44 VanDerWaalsContact C-N 3.34Å; T42-V44 PolarHBondContact O-N 3.17Å; T42-S45 PolarHBondContact O-N 3.27Å; T42-S45 PolarHBondContact O-OG 3.42Å; T42-E46 WeakPolarHBondContact O-CB 3.46Å; T42-E46 WeakPolarHBondContact O-CG 3.4Å; T42-E46 PolarHBondContact O-N 3.42Å; T42-I84 HydrophobicContact CG2-CD1 3.65Å; T42-I84 HydrophobicContact CG2-CG1 4.44Å; T42-D87 PolarHBondContact OG1-OD2 3.48Å; T42-H124 PolarHBondContact OG1-CE1 3.43Å; T42-H124 VanDerWaalsContact OG1-CE1 3.28Å; T42-N128 WeakPolarHBondContact CA-OD1 3.23Å; T42-N128 PolarHBondContact OG1-ND2 2.86Å
43T92.5Very high90.1Very high43 Ų4323.7 Ų23.726%0.26413%0.133SC..Hα-helixtrans-63.1-41.4174.9-61.10000111.7I39 S40 A47 Y80I39-T43 WeakPolarHBondContact O-CB 3.36Å; I39-T43 PolarHBondContact O-N 3.28Å; I39-T43 PolarHBondContact O-OG1 3.39Å; S40-T43 PolarHBondContact O-N 2.96Å; T43-A47 WeakPolarHBondContact O-CB 3.38Å; T43-A47 PolarHBondContact O-N 2.93Å; T43-Y80 HydrophobicContact CG2-CE2 4.11Å; T43-Y80 PolarHBondContact OG1-OH 3.08Å
44V88.3Confident90.4Very high38 Ų3827.6 Ų27.623%0.2315%0.154CC..Hα-helixtrans-66.9-45179.6171.30000110.6S40 D41 T42 E46 A47 M48S40-V44 VanDerWaalsContact O-CG2 3.27Å; S40-V44 WeakPolarHBondContact O-CG2 3.31Å; S40-V44 PolarHBondContact O-N 3.18Å; D41-V44 PolarHBondContact O-N 3.33Å; T42-V44 VanDerWaalsContact C-N 3.34Å; T42-V44 PolarHBondContact O-N 3.17Å; V44-E46 PolarHBondContact O-N 3.29Å; V44-A47 PolarHBondContact O-N 3.49Å; V44-M48 VanDerWaalsContact O-CG 3.24Å; V44-M48 WeakPolarHBondContact O-CG 3.38Å; V44-M48 PolarHBondContact O-N 2.93Å; V44-M48 VanDerWaalsContact O-N 3.13Å
45S90Very high90.5Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-63.2-41.7-179.868.10000112.1D41 T42 M48 L49 N128 V131D41-S45 PolarHBondContact O-N 2.83Å; T42-S45 PolarHBondContact O-N 3.27Å; T42-S45 PolarHBondContact O-OG 3.42Å; S45-M48 WeakPolarHBondContact O-CB 3.48Å; S45-M48 PolarHBondContact O-N 3.38Å; S45-L49 PolarHBondContact O-N 3.25Å; S45-L49 VanDerWaalsContact O-N 3.1Å; S45-N128 VanDerWaalsContact CB-OD1 3.3Å; S45-N128 WeakPolarHBondContact CB-OD1 3.38Å; S45-N128 PolarHBondContact OG-OD1 3.49Å; S45-V131 WeakPolarHBondContact O-CG1 3.31Å
46E93.1Very high90.4Very high5 Ų529.3 Ų29.32%0.02316%0.162CC..Hα-helixtrans-74.3-37.3179.2-70.2-174175.400113.3T42 V44 M48 L49 F50 Y80 T83T42-E46 WeakPolarHBondContact O-CB 3.46Å; T42-E46 WeakPolarHBondContact O-CG 3.4Å; T42-E46 PolarHBondContact O-N 3.42Å; V44-E46 PolarHBondContact O-N 3.29Å; E46-M48 PolarHBondContact O-N 2.9Å; E46-L49 WeakPolarHBondContact O-CB 3.3Å; E46-L49 PolarHBondContact O-N 3.16Å; E46-L49 VanDerWaalsContact O-N 3.08Å; E46-F50 HydrophobicContact CB-CE2 4.11Å; E46-F50 HydrophobicContact CB-CZ 4.35Å; E46-F50 WeakPolarHBondContact O-CD2 3.44Å; E46-F50 VanDerWaalsContact O-CG 3.32Å; E46-F50 WeakPolarHBondContact O-CG 2.98Å; E46-F50 PolarHBondContact O-N 2.88Å; E46-Y80 VanDerWaalsContact OE2-CA 3.31Å; E46-Y80 WeakPolarHBondContact OE2-CA 3.48Å; E46-Y80 WeakPolarHBondContact OE2-CD2 3.24Å; E46-T83 VanDerWaalsContact CD-OG1 3.23Å; E46-T83 WeakPolarHBondContact OE1-CB 3.19Å; E46-T83 WeakPolarHBondContact OE1-CG2 3.27Å; E46-T83 PolarHBondContact OE1-OG1 3Å; E46-T83 PolarHBondContact OE2-OG1 3.49Å
47A92.2Very high90.4Very high42 Ų4227.1 Ų27.135%0.34715%0.15SC..Hα-helixtrans-57.3-41172.400000110.8T43 V44 F50 L51T43-A47 WeakPolarHBondContact O-CB 3.38Å; T43-A47 PolarHBondContact O-N 2.93Å; V44-A47 PolarHBondContact O-N 3.49Å; A47-F50 PolarHBondContact O-N 3.03Å; A47-L51 WeakPolarHBondContact O-CB 3.46Å; A47-L51 WeakPolarHBondContact O-CD1 3.45Å; A47-L51 WeakPolarHBondContact O-CG 3.48Å; A47-L51 PolarHBondContact O-N 3.37Å
48M89.6Confident90.4Very high16 Ų1628.1 Ų28.18%0.07916%0.159CC..Hα-helixtrans-61.3-45.3174.2-72.1-60.3165.200111.6V44 S45 E46 S52 A135 L174 F175 T178V44-M48 VanDerWaalsContact O-CG 3.24Å; V44-M48 WeakPolarHBondContact O-CG 3.38Å; V44-M48 PolarHBondContact O-N 2.93Å; V44-M48 VanDerWaalsContact O-N 3.13Å; S45-M48 WeakPolarHBondContact O-CB 3.48Å; S45-M48 PolarHBondContact O-N 3.38Å; E46-M48 PolarHBondContact O-N 2.9Å; M48-S52 PolarHBondContact O-N 3.26Å; M48-S52 VanDerWaalsContact O-N 3.08Å; M48-S52 PolarHBondContact O-OG 2.91Å; M48-A135 HydrophobicContact CB-CB 4.11Å; M48-L174 HydrophobicContact CE-CD1 4.06Å; M48-L174 HydrophobicContact CE-CD2 3.76Å; M48-L174 HydrophobicContact CE-CG 3.74Å; M48-L174 HydrophobicContact SD-CD2 4.14Å; M48-L174 HydrophobicContact SD-CG 4.23Å; M48-F175 HydrophobicContact CB-CD1 4.25Å; M48-F175 HydrophobicContact CB-CE1 3.65Å; M48-F175 HydrophobicContact CG-CD1 4.29Å; M48-F175 HydrophobicContact CG-CE1 4.01Å; M48-F175 WeakPolarHBondContact O-CE1 3.48Å; M48-F175 WeakPolarHBondContact O-CZ 3.16Å; M48-F175 HydrophobicContact SD-CD1 3.54Å; M48-F175 VanDerWaalsContact SD-CD1 3.54Å; M48-F175 HydrophobicContact SD-CE1 3.38Å; M48-F175 WeakPolarHBondContact SD-CE1 3.39Å; M48-F175 HydrophobicContact SD-CZ 4.26Å; M48-T178 HydrophobicContact CE-CG2 4.25Å; M48-T178 VanDerWaalsContact CE-OG1 3.27Å; M48-T178 WeakPolarHBondContact CE-OG1 3.39Å; M48-T178 HydrophobicContact CG-CG2 4.39Å
49L93Very high90.2Very high16 Ų1628.1 Ų28.18%0.08416%0.159CC..Hα-helixtrans-61.4-49.5176.8-179.963.3000112.2S45 E46 L51 S52 L53 V131 L134 A135 L138S45-L49 PolarHBondContact O-N 3.25Å; S45-L49 VanDerWaalsContact O-N 3.1Å; E46-L49 WeakPolarHBondContact O-CB 3.3Å; E46-L49 PolarHBondContact O-N 3.16Å; E46-L49 VanDerWaalsContact O-N 3.08Å; L49-L51 PolarHBondContact O-N 2.94Å; L49-S52 PolarHBondContact O-N 2.96Å; L49-L53 HydrophobicContact CD1-CD1 4.33Å; L49-L53 HydrophobicContact CD1-CG 4.46Å; L49-L53 HydrophobicContact CG-CD1 4.1Å; L49-L53 WeakPolarHBondContact O-CG 3.47Å; L49-L53 PolarHBondContact O-N 3.48Å; L49-V131 HydrophobicContact CB-CG1 4.12Å; L49-V131 HydrophobicContact CD2-CG1 4.21Å; L49-L134 HydrophobicContact CD1-CD2 4.11Å; L49-L134 HydrophobicContact CD1-CG 4.16Å; L49-A135 HydrophobicContact CB-CB 4.26Å; L49-A135 HydrophobicContact CD1-CB 4.42Å; L49-L138 HydrophobicContact CD1-CD1 3.77Å
50F94.3Very high89.8Confident38 Ų3832.4 Ų32.417%0.16717%0.172CC..Hα-helixtrans-65.4-39-178.7-60.9-30.8000112.5E46 A47 S52 L53 D54 M76 F79 Y80E46-F50 HydrophobicContact CB-CE2 4.11Å; E46-F50 HydrophobicContact CB-CZ 4.35Å; E46-F50 WeakPolarHBondContact O-CD2 3.44Å; E46-F50 VanDerWaalsContact O-CG 3.32Å; E46-F50 WeakPolarHBondContact O-CG 2.98Å; E46-F50 PolarHBondContact O-N 2.88Å; A47-F50 PolarHBondContact O-N 3.03Å; F50-S52 VanDerWaalsContact C-N 3.33Å; F50-S52 PolarHBondContact O-N 2.99Å; F50-L53 PolarHBondContact O-N 3.15Å; F50-D54 WeakPolarHBondContact O-CB 3.17Å; F50-D54 PolarHBondContact O-N 2.86Å; F50-M76 HydrophobicContact CB-SD 4.26Å; F50-M76 HydrophobicContact CD1-CB 4.03Å; F50-M76 HydrophobicContact CD1-CG 3.82Å; F50-M76 HydrophobicContact CD1-SD 4.1Å; F50-M76 HydrophobicContact CE1-CB 3.91Å; F50-M76 HydrophobicContact CE1-CG 4.01Å; F50-M76 HydrophobicContact CG-CB 4.4Å; F50-M76 HydrophobicContact CG-CG 4.43Å; F50-M76 HydrophobicContact CG-SD 4.29Å; F50-M76 HydrophobicContact CZ-CB 4.17Å; F50-M76 VanDerWaalsContact CZ-O 3.28Å; F50-M76 WeakPolarHBondContact CZ-O 3.36Å; F50-F79 AromaticContact CE1-CD1 3.89Å; F50-F79 HydrophobicContact CE1-CD1 3.89Å; F50-F79 AromaticContact CZ-CD1 3.83Å; F50-F79 HydrophobicContact CZ-CD1 3.83Å; F50-Y80 HydrophobicContact CE2-CD2 4.42Å
51L90.8Very high89.7Confident66 Ų6637.3 Ų37.335%0.34619%0.192SC..Hα-helixtrans-61.6-42.3173.9-74.1169.9000111.5A47 L49 L55 L171 F175A47-L51 WeakPolarHBondContact O-CB 3.46Å; A47-L51 WeakPolarHBondContact O-CD1 3.45Å; A47-L51 WeakPolarHBondContact O-CG 3.48Å; A47-L51 PolarHBondContact O-N 3.37Å; L49-L51 PolarHBondContact O-N 2.94Å; L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 VanDerWaalsContact O-CG 3.31Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 3.3Å; L51-L171 HydrophobicContact CD1-CD2 4.09Å; L51-F175 HydrophobicContact CB-CZ 4.41Å
52S91.1Very high89.3Confident0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-64.8-39.7175.2-79.70000112.8M48 L49 F50 L56 A135 F175M48-S52 PolarHBondContact O-N 3.26Å; M48-S52 VanDerWaalsContact O-N 3.08Å; M48-S52 PolarHBondContact O-OG 2.91Å; L49-S52 PolarHBondContact O-N 2.96Å; F50-S52 VanDerWaalsContact C-N 3.33Å; F50-S52 PolarHBondContact O-N 2.99Å; S52-L56 WeakPolarHBondContact O-CB 3.35Å; S52-L56 PolarHBondContact O-N 3.49Å; S52-A135 WeakPolarHBondContact CB-O 3.36Å; S52-A135 PolarHBondContact OG-O 3.18Å; S52-F175 WeakPolarHBondContact OG-CE2 3.49Å; S52-F175 WeakPolarHBondContact OG-CZ 3.24Å
53L92.4Very high88.8Confident51 Ų5148.8 Ų48.827%0.26726%0.257SS..Hα-helixtrans-67.1-44.2176.2-73.5171.2000111.8L49 F50 L55 L56 I57 M76 L138L49-L53 HydrophobicContact CD1-CD1 4.33Å; L49-L53 HydrophobicContact CD1-CG 4.46Å; L49-L53 HydrophobicContact CG-CD1 4.1Å; L49-L53 WeakPolarHBondContact O-CG 3.47Å; L49-L53 PolarHBondContact O-N 3.48Å; F50-L53 PolarHBondContact O-N 3.15Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 PolarHBondContact O-N 3.4Å; L53-L56 PolarHBondContact O-N 2.97Å; L53-L56 VanDerWaalsContact O-N 3.15Å; L53-I57 WeakPolarHBondContact O-CB 3.45Å; L53-I57 WeakPolarHBondContact O-CD1 3.19Å; L53-I57 VanDerWaalsContact O-CG1 3.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.45Å; L53-I57 PolarHBondContact O-N 3.46Å; L53-M76 HydrophobicContact CB-CE 3.57Å; L53-M76 HydrophobicContact CD1-CE 3.93Å; L53-M76 HydrophobicContact CG-CE 4.41Å; L53-L138 HydrophobicContact CD2-CD1 3.73Å; L53-L138 HydrophobicContact CG-CD1 4.02Å
54D90.3Very high88.4Confident82 Ų8249 Ų4944%0.43926%0.256SS..Hα-helixtrans-59-43.7176.7-179.660.2000111.5F50 I57 S58F50-D54 WeakPolarHBondContact O-CB 3.17Å; F50-D54 PolarHBondContact O-N 2.86Å; D54-I57 PolarHBondContact O-N 3.28Å; D54-S58 WeakPolarHBondContact O-CB 3.33Å; D54-S58 PolarHBondContact O-N 2.97Å; D54-S58 PolarHBondContact O-OG 2.84Å
55L87.3Confident88.2Confident13 Ų1349 Ų497%0.06826%0.264CS..Hα-helixtrans-59.8-46.7172.9-77.1173.8000112.3L51 L53 S58 L59 V167 L168 L171L51-L55 WeakPolarHBondContact O-CB 3.48Å; L51-L55 VanDerWaalsContact O-CG 3.31Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 3.3Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 PolarHBondContact O-N 3.4Å; L55-S58 PolarHBondContact O-N 3.48Å; L55-L59 WeakPolarHBondContact O-CB 3.3Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.31Å; L55-L59 PolarHBondContact O-N 3.23Å; L55-V167 HydrophobicContact CD2-CG1 4.15Å; L55-L168 HydrophobicContact CD1-CD1 3.69Å; L55-L168 HydrophobicContact CD2-CD1 4.44Å; L55-L171 HydrophobicContact CD1-CB 4.12Å; L55-L171 HydrophobicContact CD1-CD1 3.41Å; L55-L171 VanDerWaalsContact CD1-CD1 3.41Å; L55-L171 HydrophobicContact CD1-CG 4.4Å; L55-L171 HydrophobicContact CD2-CD1 3.92Å; L55-L171 HydrophobicContact CG-CD1 3.77Å
56L89.7Confident88.2Confident39 Ų3958.2 Ų58.220%0.20430%0.304CS..Hα-helixtrans-63.1-46.2-178.2-177.960.5000111.1S52 L53 L59 R60 L138 C142 I145S52-L56 WeakPolarHBondContact O-CB 3.35Å; S52-L56 PolarHBondContact O-N 3.49Å; L53-L56 PolarHBondContact O-N 2.97Å; L53-L56 VanDerWaalsContact O-N 3.15Å; L56-L59 PolarHBondContact O-N 2.95Å; L56-R60 HydrophobicContact CD1-CG 4.09Å; L56-R60 WeakPolarHBondContact O-CB 3.48Å; L56-R60 PolarHBondContact O-N 3.34Å; L56-L138 HydrophobicContact CD2-CD2 3.94Å; L56-C142 WeakPolarHBondContact CA-SG 2.98Å; L56-C142 PolarHBondContact N-SG 2.84Å; L56-C142 VanDerWaalsContact N-SG 3.44Å; L56-I145 HydrophobicContact CD1-CD1 3.5Å
57I89.5Confident88Confident26 Ų2666.2 Ų66.213%0.13334%0.338CS..Hα-helixtrans-62.1-46177.3-65162.4000109.7L53 D54 L59 R60 F61 L64 M69 I72 M76L53-I57 WeakPolarHBondContact O-CB 3.45Å; L53-I57 WeakPolarHBondContact O-CD1 3.19Å; L53-I57 VanDerWaalsContact O-CG1 3.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.45Å; L53-I57 PolarHBondContact O-N 3.46Å; D54-I57 PolarHBondContact O-N 3.28Å; I57-L59 VanDerWaalsContact C-N 3.28Å; I57-L59 PolarHBondContact O-N 2.92Å; I57-R60 PolarHBondContact O-N 3.48Å; I57-F61 CarbonylContact O-C 3.57Å; I57-F61 WeakPolarHBondContact O-CA 3.24Å; I57-F61 PolarHBondContact O-N 3.38Å; I57-L64 HydrophobicContact CG2-CD2 3.85Å; I57-M69 HydrophobicContact CG2-CE 3.5Å; I57-M69 HydrophobicContact CG2-SD 3.87Å; I57-I72 HydrophobicContact CD1-CD1 4.1Å; I57-I72 HydrophobicContact CD1-CG2 3.97Å; I57-M76 HydrophobicContact CD1-CE 4.42Å
58S85.6Confident88Confident34 Ų3468.3 Ų68.324%0.23834%0.343CS..Hα-helixtrans-62.1-32.2178.9-69.70000113.5D54 L55 Q164D54-S58 WeakPolarHBondContact O-CB 3.33Å; D54-S58 PolarHBondContact O-N 2.97Å; D54-S58 PolarHBondContact O-OG 2.84Å; L55-S58 PolarHBondContact O-N 3.48Å; S58-Q164 PolarHBondContact O-NE2 3.5Å; S58-Q164 VanDerWaalsContact O-NE2 3.08Å
59L84.4Confident88.1Confident6 Ų670.3 Ų70.33%0.03135%0.353CS..Hα-helixtrans-82.6-34.2178.2-74.4170.5000113.2L55 L56 I57 C142 I145 Y146 Q149 Q164 L168L55-L59 WeakPolarHBondContact O-CB 3.3Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.31Å; L55-L59 PolarHBondContact O-N 3.23Å; L56-L59 PolarHBondContact O-N 2.95Å; I57-L59 VanDerWaalsContact C-N 3.28Å; I57-L59 PolarHBondContact O-N 2.92Å; L59-C142 HydrophobicContact CD1-CB 3.68Å; L59-I145 HydrophobicContact CB-CG2 4.3Å; L59-Y146 HydrophobicContact CD2-CD2 4.32Å; L59-Q149 PolarHBondContact O-NE2 3.28Å; L59-Q164 HydrophobicContact CD2-CB 4.39Å; L59-L168 HydrophobicContact CD1-CD2 4.46Å
60R85.5Confident88Confident139 Ų13974.9 Ų74.953%0.52537%0.373SS..Hα-helixtrans-90.5-35.1-176.8-75-67.5-169157.62.1113.4L56 I57 P62 I145L56-R60 HydrophobicContact CD1-CG 4.09Å; L56-R60 WeakPolarHBondContact O-CB 3.48Å; L56-R60 PolarHBondContact O-N 3.34Å; I57-R60 PolarHBondContact O-N 3.48Å; R60-P62 VanDerWaalsContact C-CD 3.48Å; R60-P62 WeakPolarHBondContact O-CD 3.44Å; R60-I145 HydrophobicContact CG-CD1 4.21Å
61F86Confident88Confident119 Ų11981.9 Ų81.952%0.52240%0.399SS..  trans-130.164.9-173-52.2-72.5000111I57 L63 L64I57-F61 CarbonylContact O-C 3.57Å; I57-F61 WeakPolarHBondContact O-CA 3.24Å; I57-F61 PolarHBondContact O-N 3.38Å; F61-L63 PolarHBondContact O-N 2.76Å; F61-L63 VanDerWaalsContact O-N 3.13Å; F61-L64 HydrophobicContact CB-CB 4.13Å; F61-L64 HydrophobicContact CB-CD1 3.83Å; F61-L64 HydrophobicContact CB-CG 4.43Å; F61-L64 HydrophobicContact CG-CD1 4.29Å; F61-L64 WeakPolarHBondContact O-CB 3.43Å; F61-L64 PolarHBondContact O-N 3.45Å; F61-L64 VanDerWaalsContact O-N 3.1Å
62P77.7Confident88.1Confident84 Ų8481.3 Ų81.355%0.54540%0.395SS..THydrogen-bonded Turntrans-63.7-21.5-178.126.8-35.5000113.5R60R60-P62 VanDerWaalsContact C-CD 3.48Å; R60-P62 WeakPolarHBondContact O-CD 3.44Å
63L81.1Confident88.3Confident168 Ų16886.1 Ų86.188%0.8842%0.421SS*.THydrogen-bonded Turntrans-98.514.8179.8-61.5173.3000112.8F61 G65F61-L63 PolarHBondContact O-N 2.76Å; F61-L63 VanDerWaalsContact O-N 3.13Å; L63-G65 PolarHBondContact O-N 3.08Å
64L84.2Confident88.4Confident48 Ų4887.1 Ų87.125%0.25143%0.425SS..  trans-61.6125.1178.6-147.473.4000109.7I57 F61 I68 M69 I72I57-L64 HydrophobicContact CG2-CD2 3.85Å; F61-L64 HydrophobicContact CB-CB 4.13Å; F61-L64 HydrophobicContact CB-CD1 3.83Å; F61-L64 HydrophobicContact CB-CG 4.43Å; F61-L64 HydrophobicContact CG-CD1 4.29Å; F61-L64 WeakPolarHBondContact O-CB 3.43Å; F61-L64 PolarHBondContact O-N 3.45Å; F61-L64 VanDerWaalsContact O-N 3.1Å; L64-I68 HydrophobicContact CD1-CD1 4.48Å; L64-I68 HydrophobicContact CD1-CG2 4.29Å; L64-I68 HydrophobicContact CD2-CB 4.28Å; L64-I68 HydrophobicContact CD2-CG2 3.66Å; L64-I68 HydrophobicContact CG-CB 4.11Å; L64-I68 HydrophobicContact CG-CG2 3.88Å; L64-M69 HydrophobicContact CB-CE 3.83Å; L64-M69 HydrophobicContact CB-CG 4.27Å; L64-M69 HydrophobicContact CB-SD 4.41Å; L64-M69 HydrophobicContact CD2-CE 4Å; L64-M69 HydrophobicContact CD2-CG 4.15Å; L64-M69 HydrophobicContact CD2-SD 3.74Å; L64-I72 HydrophobicContact CD2-CD1 3.8Å
65G85.1Confident88.7Confident38 Ų3885.1 Ų85.139%0.39242%0.424SS..  trans-62.9146.5-176.800000112.4L63 K67 I68 M69L63-G65 PolarHBondContact O-N 3.08Å; G65-K67 PolarHBondContact O-N 3.42Å; G65-K67 VanDerWaalsContact O-N 3.09Å; G65-I68 PolarHBondContact O-N 2.9Å; G65-M69 PolarHBondContact O-N 2.94Å; G65-M69 VanDerWaalsContact O-N 3.14Å
66K88.5Confident89.1Confident192 Ų19286 Ų8684%0.83543%0.428SS*.Hα-helixtrans-50.3-38.1179.6-66.9-176.2179.2-179.50113.4I68 M69 H70K66-I68 VanDerWaalsContact C-N 3.34Å; K66-I68 PolarHBondContact O-N 3.41Å; K66-M69 PolarHBondContact O-N 3.16Å; K66-H70 WeakPolarHBondContact O-CB 3.42Å; K66-H70 PolarHBondContact O-N 2.9Å
67K90.5Very high89.4Confident174 Ų17487 Ų8776%0.75744%0.436SS*.Hα-helixtrans-62.2-38.4177.9-68.7-175.7-179.6-1800112.6G65 R71G65-K67 PolarHBondContact O-N 3.42Å; G65-K67 VanDerWaalsContact O-N 3.09Å; K67-R71 WeakPolarHBondContact O-CG 3.49Å; K67-R71 PolarHBondContact O-N 3.22Å
68I91.7Very high89.8Confident86 Ų8693.7 Ų93.744%0.44146%0.46SS..Hα-helixtrans-74.8-46.5-179.9-61.4172.9000109.5L64 G65 K66 H70 R71 I72L64-I68 HydrophobicContact CD1-CD1 4.48Å; L64-I68 HydrophobicContact CD1-CG2 4.29Å; L64-I68 HydrophobicContact CD2-CB 4.28Å; L64-I68 HydrophobicContact CD2-CG2 3.66Å; L64-I68 HydrophobicContact CG-CB 4.11Å; L64-I68 HydrophobicContact CG-CG2 3.88Å; G65-I68 PolarHBondContact O-N 2.9Å; K66-I68 VanDerWaalsContact C-N 3.34Å; K66-I68 PolarHBondContact O-N 3.41Å; I68-H70 PolarHBondContact O-N 2.89Å; I68-R71 WeakPolarHBondContact O-CB 3.47Å; I68-R71 PolarHBondContact O-N 3.17Å; I68-I72 HydrophobicContact CG2-CD1 4.11Å; I68-I72 WeakPolarHBondContact O-CG1 3.44Å; I68-I72 PolarHBondContact O-N 3.25Å
69M90.5Very high90.3Very high57 Ų5796.5 Ų96.528%0.28147%0.468SS..Hα-helixtrans-54.6-41.3174.5-73.1-65.4-16000111.9I57 L64 G65 K66 I72 L73I57-M69 HydrophobicContact CG2-CE 3.5Å; I57-M69 HydrophobicContact CG2-SD 3.87Å; L64-M69 HydrophobicContact CB-CE 3.83Å; L64-M69 HydrophobicContact CB-CG 4.27Å; L64-M69 HydrophobicContact CB-SD 4.41Å; L64-M69 HydrophobicContact CD2-CE 4Å; L64-M69 HydrophobicContact CD2-CG 4.15Å; L64-M69 HydrophobicContact CD2-SD 3.74Å; G65-M69 PolarHBondContact O-N 2.94Å; G65-M69 VanDerWaalsContact O-N 3.14Å; K66-M69 PolarHBondContact O-N 3.16Å; M69-I72 PolarHBondContact O-N 2.79Å; M69-L73 PolarHBondContact O-N 3.31Å
70H91.7Very high90.9Very high112 Ų11299.2 Ų99.252%0.51948%0.478SS..Hα-helixtrans-64.1-40.3176.1-171.961000113K66 I68 L73 I74K66-H70 WeakPolarHBondContact O-CB 3.42Å; K66-H70 PolarHBondContact O-N 2.9Å; I68-H70 PolarHBondContact O-N 2.89Å; H70-L73 PolarHBondContact O-N 3.29Å; H70-I74 WeakPolarHBondContact NE2-CD1 3.4Å; H70-I74 WeakPolarHBondContact O-CG1 3.45Å; H70-I74 PolarHBondContact O-N 3.22Å
71R94.3Very high91.5Very high186 Ų18698 Ų9870%0.70248%0.477SS*.Hα-helixtrans-63.9-40.4174.2-69.9-176.4-152.3-153.25.7112.1K67 I68 I74 G75K67-R71 WeakPolarHBondContact O-CG 3.49Å; K67-R71 PolarHBondContact O-N 3.22Å; I68-R71 WeakPolarHBondContact O-CB 3.47Å; I68-R71 PolarHBondContact O-N 3.17Å; R71-I74 PolarHBondContact O-N 2.78Å; R71-G75 PolarHBondContact O-N 2.8Å
72I93.9Very high92.1Very high53 Ų5397.3 Ų97.327%0.27248%0.478SS..Hα-helixtrans-61.8-46.3176.5-66171.6000110I57 L64 I68 M69 I74 G75 M76I57-I72 HydrophobicContact CD1-CD1 4.1Å; I57-I72 HydrophobicContact CD1-CG2 3.97Å; L64-I72 HydrophobicContact CD2-CD1 3.8Å; I68-I72 HydrophobicContact CG2-CD1 4.11Å; I68-I72 WeakPolarHBondContact O-CG1 3.44Å; I68-I72 PolarHBondContact O-N 3.25Å; M69-I72 PolarHBondContact O-N 2.79Å; I72-I74 PolarHBondContact O-N 3.04Å; I72-G75 PolarHBondContact O-N 3.23Å; I72-G75 VanDerWaalsContact O-N 3.15Å; I72-M76 HydrophobicContact CG2-CE 3.74Å; I72-M76 HydrophobicContact CG2-CG 4.45Å; I72-M76 HydrophobicContact CG2-SD 4.15Å; I72-M76 WeakPolarHBondContact O-CG 3.28Å; I72-M76 PolarHBondContact O-N 3.15Å
73L93.5Very high92.9Very high102 Ų10294.9 Ų94.953%0.53446%0.462SS..Hα-helixtrans-60.1-44.8177.3-179.864.8000112.3M69 H70 G75 M76 T77M69-L73 PolarHBondContact O-N 3.31Å; H70-L73 PolarHBondContact O-N 3.29Å; L73-G75 VanDerWaalsContact C-N 3.31Å; L73-G75 PolarHBondContact O-N 3.15Å; L73-M76 PolarHBondContact O-N 3.44Å; L73-T77 WeakPolarHBondContact O-CB 3.45Å; L73-T77 PolarHBondContact O-N 2.93Å; L73-T77 PolarHBondContact O-OG1 3.34Å
74I96.2Very high93.6Very high71 Ų7187.8 Ų87.836%0.36443%0.425SS..Hα-helixtrans-59.7-44.6174.7-70.5165.5000110.2H70 R71 I72 T77 W78H70-I74 WeakPolarHBondContact NE2-CD1 3.4Å; H70-I74 WeakPolarHBondContact O-CG1 3.45Å; H70-I74 PolarHBondContact O-N 3.22Å; R71-I74 PolarHBondContact O-N 2.78Å; I72-I74 PolarHBondContact O-N 3.04Å; I74-T77 WeakPolarHBondContact O-CB 3.46Å; I74-T77 PolarHBondContact O-N 2.98Å; I74-W78 PolarHBondContact O-N 2.91Å
75G96.7Very high94.3Very high40 Ų4090.9 Ų90.941%0.41244%0.44SS..Hα-helixtrans-60.8-45.5177.300000113R71 I72 L73 T77 W78 F79R71-G75 PolarHBondContact O-N 2.8Å; I72-G75 PolarHBondContact O-N 3.23Å; I72-G75 VanDerWaalsContact O-N 3.15Å; L73-G75 VanDerWaalsContact C-N 3.31Å; L73-G75 PolarHBondContact O-N 3.15Å; G75-T77 VanDerWaalsContact C-N 3.3Å; G75-T77 PolarHBondContact O-N 2.99Å; G75-W78 PolarHBondContact O-N 3.44Å; G75-F79 WeakPolarHBondContact O-CB 3.38Å; G75-F79 PolarHBondContact O-N 3.48Å
76M95.8Very high94.8Very high31 Ų3191.8 Ų91.815%0.15344%0.444CS..Hα-helixtrans-61-40.5174.6-71.3175.4171.500111.7F50 L53 I57 I72 L73 F79 Y80F50-M76 HydrophobicContact CB-SD 4.26Å; F50-M76 HydrophobicContact CD1-CB 4.03Å; F50-M76 HydrophobicContact CD1-CG 3.82Å; F50-M76 HydrophobicContact CD1-SD 4.1Å; F50-M76 HydrophobicContact CE1-CB 3.91Å; F50-M76 HydrophobicContact CE1-CG 4.01Å; F50-M76 HydrophobicContact CG-CB 4.4Å; F50-M76 HydrophobicContact CG-CG 4.43Å; F50-M76 HydrophobicContact CG-SD 4.29Å; F50-M76 HydrophobicContact CZ-CB 4.17Å; F50-M76 VanDerWaalsContact CZ-O 3.28Å; F50-M76 WeakPolarHBondContact CZ-O 3.36Å; L53-M76 HydrophobicContact CB-CE 3.57Å; L53-M76 HydrophobicContact CD1-CE 3.93Å; L53-M76 HydrophobicContact CG-CE 4.41Å; I57-M76 HydrophobicContact CD1-CE 4.42Å; I72-M76 HydrophobicContact CG2-CE 3.74Å; I72-M76 HydrophobicContact CG2-CG 4.45Å; I72-M76 HydrophobicContact CG2-SD 4.15Å; I72-M76 WeakPolarHBondContact O-CG 3.28Å; I72-M76 PolarHBondContact O-N 3.15Å; L73-M76 PolarHBondContact O-N 3.44Å; M76-F79 PolarHBondContact O-N 2.92Å; M76-Y80 WeakPolarHBondContact O-CB 3.32Å; M76-Y80 PolarHBondContact O-N 2.97Å
77T95.6Very high95.1Very high60 Ų6083.6 Ų83.637%0.36841%0.41SS..Hα-helixtrans-65.2-44.2178.4-57.80000111.1L73 I74 G75 Y80 F81L73-T77 WeakPolarHBondContact O-CB 3.45Å; L73-T77 PolarHBondContact O-N 2.93Å; L73-T77 PolarHBondContact O-OG1 3.34Å; I74-T77 WeakPolarHBondContact O-CB 3.46Å; I74-T77 PolarHBondContact O-N 2.98Å; G75-T77 VanDerWaalsContact C-N 3.3Å; G75-T77 PolarHBondContact O-N 2.99Å; T77-Y80 WeakPolarHBondContact O-CB 3.32Å; T77-Y80 PolarHBondContact O-N 3.33Å; T77-F81 HydrophobicContact CG2-CD2 3.82Å; T77-F81 HydrophobicContact CG2-CE2 3.55Å; T77-F81 WeakPolarHBondContact O-CD2 3.18Å; T77-F81 PolarHBondContact O-N 3.45Å; T77-F81 VanDerWaalsContact O-N 3.11Å
78W97.6Very high95.4Very high168 Ų16876.8 Ų76.864%0.63638%0.383SS*.Hα-helixtrans-62-45.1174.2-89.6105000112.3I74 G75 Y80 F81 L82I74-W78 PolarHBondContact O-N 2.91Å; G75-W78 PolarHBondContact O-N 3.44Å; W78-Y80 VanDerWaalsContact C-N 3.33Å; W78-Y80 PolarHBondContact O-N 3.24Å; W78-F81 PolarHBondContact O-N 2.93Å; W78-L82 WeakPolarHBondContact O-CB 3.16Å; W78-L82 VanDerWaalsContact O-CG 3.24Å; W78-L82 WeakPolarHBondContact O-CG 3.33Å; W78-L82 PolarHBondContact O-N 3.37Å
79F96.6Very high95.6Very high93 Ų9375.4 Ų75.441%0.40838%0.384SS..Hα-helixtrans-56.1-49.3176.3-178.9-94.4000110.9F50 G75 M76 F81 L82 T83F50-F79 AromaticContact CE1-CD1 3.89Å; F50-F79 HydrophobicContact CE1-CD1 3.89Å; F50-F79 AromaticContact CZ-CD1 3.83Å; F50-F79 HydrophobicContact CZ-CD1 3.83Å; G75-F79 WeakPolarHBondContact O-CB 3.38Å; G75-F79 PolarHBondContact O-N 3.48Å; M76-F79 PolarHBondContact O-N 2.92Å; F79-F81 PolarHBondContact O-N 2.81Å; F79-L82 PolarHBondContact O-N 3Å; F79-T83 HydrophobicContact CD1-CG2 4.21Å; F79-T83 HydrophobicContact CD2-CG2 4.42Å; F79-T83 HydrophobicContact CE1-CG2 3.82Å; F79-T83 HydrophobicContact CE2-CG2 4.03Å; F79-T83 HydrophobicContact CZ-CG2 3.72Å; F79-T83 WeakPolarHBondContact O-CG2 3.34Å; F79-T83 PolarHBondContact O-N 3.2Å; F79-T83 PolarHBondContact O-OG1 3.41Å
80Y97Very high95.8Very high62 Ų6275.9 Ų75.924%0.24338%0.383CS..Hα-helixtrans-55.2-48177.4170.2-96.7000113.5T43 E46 F50 M76 T77 W78 T83 I84T43-Y80 HydrophobicContact CG2-CE2 4.11Å; T43-Y80 PolarHBondContact OG1-OH 3.08Å; E46-Y80 VanDerWaalsContact OE2-CA 3.31Å; E46-Y80 WeakPolarHBondContact OE2-CA 3.48Å; E46-Y80 WeakPolarHBondContact OE2-CD2 3.24Å; F50-Y80 HydrophobicContact CE2-CD2 4.42Å; M76-Y80 WeakPolarHBondContact O-CB 3.32Å; M76-Y80 PolarHBondContact O-N 2.97Å; T77-Y80 WeakPolarHBondContact O-CB 3.32Å; T77-Y80 PolarHBondContact O-N 3.33Å; W78-Y80 VanDerWaalsContact C-N 3.33Å; W78-Y80 PolarHBondContact O-N 3.24Å; Y80-T83 PolarHBondContact O-OG1 3.37Å; Y80-I84 HydrophobicContact CD2-CG1 4.23Å; Y80-I84 HydrophobicContact CE1-CG1 4.42Å; Y80-I84 HydrophobicContact CE2-CD1 4.32Å; Y80-I84 HydrophobicContact CE2-CG1 3.86Å; Y80-I84 WeakPolarHBondContact O-CB 3.36Å; Y80-I84 VanDerWaalsContact O-CG1 3.24Å; Y80-I84 WeakPolarHBondContact O-CG1 3.3Å; Y80-I84 PolarHBondContact O-N 2.94Å; Y80-I84 VanDerWaalsContact O-N 3.09Å
81F97.7Very high95.9Very high113 Ų11370.5 Ų70.550%0.49636%0.358SS..Hα-helixtrans-68.1-38.2179.9-77-66.2000111.9T77 W78 F79 I85T77-F81 HydrophobicContact CG2-CD2 3.82Å; T77-F81 HydrophobicContact CG2-CE2 3.55Å; T77-F81 WeakPolarHBondContact O-CD2 3.18Å; T77-F81 PolarHBondContact O-N 3.45Å; T77-F81 VanDerWaalsContact O-N 3.11Å; W78-F81 PolarHBondContact O-N 2.93Å; F79-F81 PolarHBondContact O-N 2.81Å; F81-I85 VanDerWaalsContact O-CB 3.31Å; F81-I85 WeakPolarHBondContact O-CB 3.42Å; F81-I85 WeakPolarHBondContact O-CD1 3.28Å; F81-I85 WeakPolarHBondContact O-CG1 3.07Å; F81-I85 PolarHBondContact O-N 3.32Å
82L97.4Very high95.9Very high105 Ų10565.4 Ų65.455%0.5534%0.339SS..Hα-helixtrans-64.4-45179.8-73.9169.9000112W78 F79 A86W78-L82 WeakPolarHBondContact O-CB 3.16Å; W78-L82 VanDerWaalsContact O-CG 3.24Å; W78-L82 WeakPolarHBondContact O-CG 3.33Å; W78-L82 PolarHBondContact O-N 3.37Å; F79-L82 PolarHBondContact O-N 3Å; L82-A86 VanDerWaalsContact O-CB 3.3Å; L82-A86 WeakPolarHBondContact O-CB 3.45Å; L82-A86 PolarHBondContact O-N 3.48Å
83T96Very high95.9Very high34 Ų3470.4 Ų70.421%0.20936%0.355CS..Hα-helixtrans-68.7-43.8179.548.90000111.9E46 F79 Y80 I85 A86 D87E46-T83 VanDerWaalsContact CD-OG1 3.23Å; E46-T83 WeakPolarHBondContact OE1-CB 3.19Å; E46-T83 WeakPolarHBondContact OE1-CG2 3.27Å; E46-T83 PolarHBondContact OE1-OG1 3Å; E46-T83 PolarHBondContact OE2-OG1 3.49Å; F79-T83 HydrophobicContact CD1-CG2 4.21Å; F79-T83 HydrophobicContact CD2-CG2 4.42Å; F79-T83 HydrophobicContact CE1-CG2 3.82Å; F79-T83 HydrophobicContact CE2-CG2 4.03Å; F79-T83 HydrophobicContact CZ-CG2 3.72Å; F79-T83 WeakPolarHBondContact O-CG2 3.34Å; F79-T83 PolarHBondContact O-N 3.2Å; F79-T83 PolarHBondContact O-OG1 3.41Å; Y80-T83 PolarHBondContact O-OG1 3.37Å; T83-I85 PolarHBondContact O-N 3.34Å; T83-A86 PolarHBondContact O-N 3.44Å; T83-D87 VanDerWaalsContact O-CB 3.3Å; T83-D87 WeakPolarHBondContact O-CB 3.44Å; T83-D87 PolarHBondContact O-N 2.95Å
84I96.3Very high95.8Very high19 Ų1967.6 Ų67.610%0.09734%0.338CS..Hα-helixtrans-60.8-45.4175-70.6-70.1000111.2I39 T42 Y80 A86 D87 V88I39-I84 HydrophobicContact CG1-CG2 4.37Å; I39-I84 HydrophobicContact CG2-CD1 4.38Å; T42-I84 HydrophobicContact CG2-CD1 3.65Å; T42-I84 HydrophobicContact CG2-CG1 4.44Å; Y80-I84 HydrophobicContact CD2-CG1 4.23Å; Y80-I84 HydrophobicContact CE1-CG1 4.42Å; Y80-I84 HydrophobicContact CE2-CD1 4.32Å; Y80-I84 HydrophobicContact CE2-CG1 3.86Å; Y80-I84 WeakPolarHBondContact O-CB 3.36Å; Y80-I84 VanDerWaalsContact O-CG1 3.24Å; Y80-I84 WeakPolarHBondContact O-CG1 3.3Å; Y80-I84 PolarHBondContact O-N 2.94Å; Y80-I84 VanDerWaalsContact O-N 3.09Å; I84-A86 VanDerWaalsContact C-N 3.33Å; I84-A86 PolarHBondContact O-N 3.04Å; I84-D87 PolarHBondContact O-N 3.48Å; I84-V88 HydrophobicContact CG2-CG2 4.37Å; I84-V88 WeakPolarHBondContact O-CB 3.32Å; I84-V88 VanDerWaalsContact O-CG2 3.26Å; I84-V88 WeakPolarHBondContact O-CG2 3.47Å; I84-V88 PolarHBondContact O-N 3.1Å
85I97.4Very high95.5Very high112 Ų11264.2 Ų64.257%0.57432%0.32SS*.Hα-helixtrans-62.1-43.6177.4-70.9166.5000110.4F81 T83 A89F81-I85 VanDerWaalsContact O-CB 3.31Å; F81-I85 WeakPolarHBondContact O-CB 3.42Å; F81-I85 WeakPolarHBondContact O-CD1 3.28Å; F81-I85 WeakPolarHBondContact O-CG1 3.07Å; F81-I85 PolarHBondContact O-N 3.32Å; T83-I85 PolarHBondContact O-N 3.34Å; I85-A89 WeakPolarHBondContact O-CB 3.44Å; I85-A89 PolarHBondContact O-N 3.25Å
86A96.3Very high95.2Very high58 Ų5864.7 Ų64.748%0.47932%0.315SS..Hα-helixtrans-63.6-43.5179.100000112.3L82 T83 I84 A89 Y90L82-A86 VanDerWaalsContact O-CB 3.3Å; L82-A86 WeakPolarHBondContact O-CB 3.45Å; L82-A86 PolarHBondContact O-N 3.48Å; T83-A86 PolarHBondContact O-N 3.44Å; I84-A86 VanDerWaalsContact C-N 3.33Å; I84-A86 PolarHBondContact O-N 3.04Å; A86-A89 PolarHBondContact O-N 3.38Å; A86-Y90 VanDerWaalsContact O-CB 3.3Å; A86-Y90 WeakPolarHBondContact O-CB 3.41Å; A86-Y90 PolarHBondContact O-N 2.85Å
87D95.2Very high94.9Very high20 Ų2064.1 Ų64.111%0.10732%0.315CS..Hα-helixtrans-69-42.7-178.8-165.930.2000111.6I38 T42 T83 I84 Y90 C91 H124I38-D87 HydrophobicContact CG2-CB 4.5Å; I38-D87 WeakPolarHBondContact CG2-OD2 3.36Å; T42-D87 PolarHBondContact OG1-OD2 3.48Å; T83-D87 VanDerWaalsContact O-CB 3.3Å; T83-D87 WeakPolarHBondContact O-CB 3.44Å; T83-D87 PolarHBondContact O-N 2.95Å; I84-D87 PolarHBondContact O-N 3.48Å; D87-Y90 PolarHBondContact O-N 2.94Å; D87-C91 WeakPolarHBondContact O-CB 3.42Å; D87-C91 PolarHBondContact O-N 2.84Å; D87-H124 IonicContact OD1-CE1 2.93Å; D87-H124 IonicContact OD1-CG 3.03Å; D87-H124 IonicContact OD1-ND1 3.98Å; D87-H124 PolarHBondContact OD1-ND1 3.08Å; D87-H124 IonicContact OD2-CE1 3.78Å; D87-H124 PolarHBondContact OD2-CE1 3.25Å; D87-H124 IonicContact OD2-ND1 2.93Å; D87-H124 PolarHBondContact OD2-ND1 2.63Å
88V95.6Very high94.3Very high31 Ų3163.1 Ų63.119%0.18831%0.306CS..Hα-helixtrans-64.8-44.9172.7172.70000110.9T35 I39 I84 Y90 C91 W92T35-V88 HydrophobicContact CG2-CG1 3.93Å; T35-V88 HydrophobicContact CG2-CG2 4.09Å; I39-V88 HydrophobicContact CD1-CG2 4Å; I39-V88 HydrophobicContact CG1-CG2 3.61Å; I84-V88 HydrophobicContact CG2-CG2 4.37Å; I84-V88 WeakPolarHBondContact O-CB 3.32Å; I84-V88 VanDerWaalsContact O-CG2 3.26Å; I84-V88 WeakPolarHBondContact O-CG2 3.47Å; I84-V88 PolarHBondContact O-N 3.1Å; V88-Y90 VanDerWaalsContact C-N 3.3Å; V88-Y90 PolarHBondContact O-N 2.94Å; V88-C91 WeakPolarHBondContact O-CB 3.29Å; V88-C91 PolarHBondContact O-N 3.26Å; V88-W92 PolarHBondContact O-N 2.95Å
89A95.9Very high93.6Very high56 Ų5657.4 Ų57.446%0.46329%0.288SS..Hα-helixtrans-61-41.3177.100000111.5I85 A86 W92 Y93I85-A89 WeakPolarHBondContact O-CB 3.44Å; I85-A89 PolarHBondContact O-N 3.25Å; A86-A89 PolarHBondContact O-N 3.38Å; A89-W92 PolarHBondContact O-N 3.13Å; A89-Y93 VanDerWaalsContact O-CB 3.22Å; A89-Y93 WeakPolarHBondContact O-CB 3.43Å; A89-Y93 PolarHBondContact O-N 2.69Å
90Y95.3Very high92.9Very high67 Ų6760 Ų6026%0.26330%0.302SS..Hα-helixtrans-64-44176.4-178.8-124.2000111.9A86 D87 V88 W92 Y93 R94 F120 V123A86-Y90 VanDerWaalsContact O-CB 3.3Å; A86-Y90 WeakPolarHBondContact O-CB 3.41Å; A86-Y90 PolarHBondContact O-N 2.85Å; D87-Y90 PolarHBondContact O-N 2.94Å; V88-Y90 VanDerWaalsContact C-N 3.3Å; V88-Y90 PolarHBondContact O-N 2.94Å; Y90-W92 PolarHBondContact O-N 3.39Å; Y90-Y93 PolarHBondContact O-N 3.01Å; Y90-R94 HydrophobicContact CD2-CG 3.96Å; Y90-R94 HydrophobicContact CE1-CG 4.3Å; Y90-R94 HydrophobicContact CE2-CG 3.56Å; Y90-R94 HydrophobicContact CG-CG 4.48Å; Y90-R94 WeakPolarHBondContact O-CB 3.17Å; Y90-R94 VanDerWaalsContact O-CG 3.3Å; Y90-R94 WeakPolarHBondContact O-CG 3.36Å; Y90-R94 PolarHBondContact O-N 3.41Å; Y90-R94 PolarHBondContact OH-NH1 3.32Å; Y90-F120 AromaticContact CD1-CD2 3.53Å; Y90-F120 HydrophobicContact CD1-CD2 3.53Å; Y90-F120 AromaticContact CD1-CE2 3.58Å; Y90-F120 HydrophobicContact CD1-CE2 3.58Å; Y90-F120 AromaticContact CE1-CD2 3.49Å; Y90-F120 HydrophobicContact CE1-CD2 3.49Å; Y90-F120 VanDerWaalsContact CE1-CD2 3.49Å; Y90-F120 AromaticContact CE1-CE2 3.99Å; Y90-F120 HydrophobicContact CE1-CE2 3.99Å; Y90-F120 HydrophobicContact CE1-CG 4.45Å; Y90-F120 HydrophobicContact CG-CD2 4.41Å; Y90-F120 HydrophobicContact CG-CE2 4.43Å; Y90-V123 HydrophobicContact CE1-CB 4.13Å; Y90-V123 HydrophobicContact CE1-CG1 4.01Å
91C93.5Very high92Very high0 Ų063.6 Ų63.60%033%0.325CS..Hα-helixtrans-55-52.6173.9171.40000112.2M28 I38 D87 V88 R94 S95 L116 F120M28-C91 WeakPolarHBondContact CE-SG 3.32Å; I38-C91 HydrophobicContact CD1-CB 3.7Å; I38-C91 WeakPolarHBondContact CD1-SG 3.26Å; D87-C91 WeakPolarHBondContact O-CB 3.42Å; D87-C91 PolarHBondContact O-N 2.84Å; V88-C91 WeakPolarHBondContact O-CB 3.29Å; V88-C91 PolarHBondContact O-N 3.26Å; C91-R94 PolarHBondContact O-N 3.01Å; C91-S95 PolarHBondContact O-N 3.21Å; C91-L116 WeakPolarHBondContact O-CD2 3.27Å; C91-F120 VanDerWaalsContact CA-CE2 3.41Å; C91-F120 HydrophobicContact CB-CE2 3.64Å; C91-F120 HydrophobicContact CB-CZ 3.78Å
92W94.7Very high90.6Very high79 Ų7961.7 Ų61.730%0.29932%0.323SS..Hα-helixtrans-65.7-41.6-179.4-80.972.3000112F25 M28 V29 T35 V88 A89 Y90 R94 S95 V96F25-W92 HydrophobicContact CD2-CE3 4.5Å; F25-W92 HydrophobicContact CD2-CZ3 4.46Å; F25-W92 HydrophobicContact CE2-CE3 4.08Å; F25-W92 AromaticContact CE2-CZ3 3.92Å; F25-W92 HydrophobicContact CE2-CZ3 3.92Å; M28-W92 HydrophobicContact CB-CH2 4.09Å; M28-W92 HydrophobicContact CB-CZ2 4.27Å; M28-W92 HydrophobicContact CB-CZ3 4.22Å; M28-W92 HydrophobicContact CE-CD2 4.22Å; M28-W92 HydrophobicContact CE-CG 4.25Å; M28-W92 HydrophobicContact CE-CZ2 4.36Å; V29-W92 HydrophobicContact CG2-CH2 4.01Å; V29-W92 HydrophobicContact CG2-CZ3 3.87Å; T35-W92 PolarHBondContact OG1-NE1 3.44Å; T35-W92 VanDerWaalsContact OG1-NE1 3.13Å; V88-W92 PolarHBondContact O-N 2.95Å; A89-W92 PolarHBondContact O-N 3.13Å; Y90-W92 PolarHBondContact O-N 3.39Å; W92-R94 VanDerWaalsContact C-N 3.35Å; W92-R94 PolarHBondContact O-N 3.11Å; W92-S95 PolarHBondContact O-N 3.15Å; W92-V96 WeakPolarHBondContact O-CG2 3.45Å; W92-V96 PolarHBondContact O-N 3.09Å
93Y94.1Very high89.5Confident158 Ų15862 Ų6262%0.6233%0.334SS*.Hα-helixtrans-57.5-46.8174.6171.5-102.6000111.7A89 Y90 S95 V96 A97A89-Y93 VanDerWaalsContact O-CB 3.22Å; A89-Y93 WeakPolarHBondContact O-CB 3.43Å; A89-Y93 PolarHBondContact O-N 2.69Å; Y90-Y93 PolarHBondContact O-N 3.01Å; Y93-S95 PolarHBondContact O-N 3.09Å; Y93-V96 PolarHBondContact O-N 3.47Å; Y93-A97 WeakPolarHBondContact O-CB 3.26Å; Y93-A97 PolarHBondContact O-N 2.82Å
94R91.8Very high88.7Confident43 Ų4362.8 Ų62.816%0.16234%0.338CS..Hα-helixtrans-65.3-37.8179.3-69.8-58.2-59.3-99.36.1112.5Y90 C91 W92 A97 Q98 P117 D119 F120Y90-R94 HydrophobicContact CD2-CG 3.96Å; Y90-R94 HydrophobicContact CE1-CG 4.3Å; Y90-R94 HydrophobicContact CE2-CG 3.56Å; Y90-R94 HydrophobicContact CG-CG 4.48Å; Y90-R94 WeakPolarHBondContact O-CB 3.17Å; Y90-R94 VanDerWaalsContact O-CG 3.3Å; Y90-R94 WeakPolarHBondContact O-CG 3.36Å; Y90-R94 PolarHBondContact O-N 3.41Å; Y90-R94 PolarHBondContact OH-NH1 3.32Å; C91-R94 PolarHBondContact O-N 3.01Å; W92-R94 VanDerWaalsContact C-N 3.35Å; W92-R94 PolarHBondContact O-N 3.11Å; R94-A97 PolarHBondContact O-N 2.89Å; R94-Q98 WeakPolarHBondContact O-CB 3.44Å; R94-Q98 PolarHBondContact O-N 3.33Å; R94-P117 HydrophobicContact CB-CG 4.19Å; R94-D119 IonicContact CZ-OD2 3.21Å; R94-D119 IonicContact NH2-OD2 3.17Å; R94-D119 PolarHBondContact NH2-OD2 3.07Å; R94-F120 HydrophobicContact CB-CB 4.4Å; R94-F120 HydrophobicContact CB-CD2 4.39Å; R94-F120 HydrophobicContact CG-CB 4.31Å; R94-F120 HydrophobicContact CG-CD2 4.16Å
95S89Confident88.2Confident0 Ų067.2 Ų67.20%036%0.362CS..Hα-helixtrans-63.4-41.8174.6-172.30000112.3P24 F25 M28 C91 W92 Y93 N99P24-S95 VanDerWaalsContact C-OG 3.29Å; P24-S95 PolarHBondContact O-OG 3.39Å; F25-S95 PolarHBondContact N-OG 3.3Å; M28-S95 WeakPolarHBondContact CG-OG 3.31Å; C91-S95 PolarHBondContact O-N 3.21Å; W92-S95 PolarHBondContact O-N 3.15Å; Y93-S95 PolarHBondContact O-N 3.09Å; S95-N99 PolarHBondContact O-N 3.47Å
96V90.2Very high87.6Confident49 Ų4962.6 Ų62.630%0.29734%0.338SS..Hα-helixtrans-67-45.6175.5173.70000111.4F25 W92 Y93 Q98 N99 Q100F25-V96 HydrophobicContact CD2-CG2 3.44Å; F25-V96 VanDerWaalsContact CD2-CG2 3.44Å; F25-V96 HydrophobicContact CE2-CG2 3.84Å; F25-V96 HydrophobicContact CG-CG2 4.26Å; W92-V96 WeakPolarHBondContact O-CG2 3.45Å; W92-V96 PolarHBondContact O-N 3.09Å; Y93-V96 PolarHBondContact O-N 3.47Å; V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 3.04Å; V96-N99 WeakPolarHBondContact O-CB 3.44Å; V96-N99 PolarHBondContact O-N 3.45Å; V96-Q100 PolarHBondContact O-N 3.01Å; V96-Q100 VanDerWaalsContact O-N 3.09Å
97A88.6Confident87.1Confident19 Ų1961 Ų6116%0.15732%0.323CS..Hα-helixtrans-62.7-39.7179.800000111.9Y93 R94 Q100 N101Y93-A97 WeakPolarHBondContact O-CB 3.26Å; Y93-A97 PolarHBondContact O-N 2.82Å; R94-A97 PolarHBondContact O-N 2.89Å; A97-Q100 PolarHBondContact O-N 3.37Å; A97-N101 PolarHBondContact O-N 2.88Å
98Q84.3Confident86.6Confident40 Ų4060.1 Ų60.119%0.18732%0.319CS..Hα-helixtrans-61.9-43.9174.3-177.6172.9-1500111.5P24 R94 V96 Q100 N101 T102 P117P24-Q98 HydrophobicContact CG-CG 4.48Å; R94-Q98 WeakPolarHBondContact O-CB 3.44Å; R94-Q98 PolarHBondContact O-N 3.33Å; V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 3.04Å; Q98-Q100 VanDerWaalsContact C-N 3.27Å; Q98-Q100 PolarHBondContact O-N 3.47Å; Q98-N101 PolarHBondContact O-N 3.28Å; Q98-T102 PolarHBondContact O-N 3.07Å; Q98-T102 VanDerWaalsContact O-O 3.07Å; Q98-P117 VanDerWaalsContact OE1-N 3.13Å
99N81.9Confident86Confident47 Ų4760 Ų6025%0.25132%0.316SS..Hα-helixtrans-62.4-31.2177.2-177.754.5000113.4T23 S95 V96T23-N99 WeakPolarHBondContact CB-OD1 3.49Å; T23-N99 WeakPolarHBondContact CG2-OD1 3.49Å; S95-N99 PolarHBondContact O-N 3.47Å; V96-N99 WeakPolarHBondContact O-CB 3.44Å; V96-N99 PolarHBondContact O-N 3.45Å
100Q82.4Confident85.5Confident148 Ų14857.4 Ų57.469%0.69229%0.294SS*.Hα-helixtrans-77.9-40.3177.2-72.5-179.8-17.500112.6V96 A97 Q98V96-Q100 PolarHBondContact O-N 3.01Å; V96-Q100 VanDerWaalsContact O-N 3.09Å; A97-Q100 PolarHBondContact O-N 3.37Å; Q98-Q100 VanDerWaalsContact C-N 3.27Å; Q98-Q100 PolarHBondContact O-N 3.47Å
101N77.7Confident84.8Confident138 Ų13856.5 Ų56.574%0.73829%0.294SS*.Hα-helixtrans-78.9-33.9-175.6-71-14.9000112.7A97 Q98A97-N101 PolarHBondContact O-N 2.88Å; Q98-N101 PolarHBondContact O-N 3.28Å
102T69.6Low84.1Confident73 Ų7357.6 Ų57.645%0.44830%0.299SS..  trans-132.8120.3-179.9-30.80000107.5Q98 T104Q98-T102 PolarHBondContact O-N 3.07Å; Q98-T102 VanDerWaalsContact O-O 3.07Å; T102-T104 HydrophobicContact CG2-CG2 3.32Å; T102-T104 PolarHBondContact O-N 3.22Å; T102-T104 PolarHBondContact O-OG1 3.06Å
103S73.4Confident83.2Confident112 Ų11256.8 Ų56.878%0.78331%0.306SS*.  trans-7143.9169.3-46.90000110.9L105S103-L105 PolarHBondContact O-N 3.47Å
104T78.9Confident82.5Confident49 Ų4952.7 Ų52.730%0.30129%0.292SS..  trans-69.7113.4177.443.60000108.4P24 T102P24-T104 WeakPolarHBondContact CD-O 3.15Å; T102-T104 HydrophobicContact CG2-CG2 3.32Å; T102-T104 PolarHBondContact O-N 3.22Å; T102-T104 PolarHBondContact O-OG1 3.06Å
105L85.3Confident82.2Confident113 Ų11350.6 Ų50.659%0.59229%0.285SS*.  trans-85.8127.6166.6-73.2174.9000107.8M21 T23 S103M21-L105 HydrophobicContact CB-CB 3.96Å; M21-L105 HydrophobicContact CB-CD2 4.48Å; T23-L105 HydrophobicContact CG2-CD2 4.3Å; S103-L105 PolarHBondContact O-N 3.47Å
106I85.7Confident82.2Confident15 Ų1550.7 Ų50.78%0.07729%0.285CS..EExtended strand (participates in β ladder)trans-114.8163.217963167.6000109.9M21 L22 P24 C27 E114 V115M21-I106 CarbonylContact C-O 3.58Å; M21-I106 WeakPolarHBondContact CA-O 3.5Å; L22-I106 PolarHBondContact N-O 3.39Å; L22-I106 VanDerWaalsContact O-CG1 3.28Å; L22-I106 WeakPolarHBondContact O-CG1 3.3Å; L22-I106 PolarHBondContact O-N 3.03Å; P24-I106 HydrophobicContact CB-CD1 4.45Å; P24-I106 HydrophobicContact CG-CD1 4.32Å; C27-I106 HydrophobicContact CB-CD1 4.11Å; I106-E114 HydrophobicContact CB-CB 4.12Å; I106-E114 HydrophobicContact CD1-CB 4.15Å; I106-E114 HydrophobicContact CG2-CB 3.99Å; I106-V115 HydrophobicContact CD1-CB 4.34Å; I106-V115 HydrophobicContact CD1-CG2 3.65Å
107S84.9Confident81.9Confident23 Ų2349.4 Ų49.416%0.16128%0.277CS..EExtended strand (participates in β ladder)trans-62.1145.1-178.8177.20000111.7Q109 C110 E114S107-Q109 PolarHBondContact O-N 3.2Å; S107-Q109 WeakPolarHBondContact OG-CG 3.14Å; S107-Q109 PolarHBondContact OG-N 3.36Å; S107-C110 PolarHBondContact O-N 3.31Å; S107-E114 PolarHBondContact N-OE2 2.81Å
108V85.6Confident81.6Confident2 Ų253.9 Ų53.91%0.01230%0.295CS..THydrogen-bonded Turntrans-59.9-13.2172.263.50000113.7R11 K15 E20 L22 C110R11-V108 PolarHBondContact NE-O 2.92Å; R11-V108 PolarHBondContact NH2-O 3.22Å; K15-V108 HydrophobicContact CB-CG1 4.05Å; K15-V108 HydrophobicContact CD-CG1 3.96Å; K15-V108 HydrophobicContact CD-CG2 4.19Å; K15-V108 HydrophobicContact CG-CG1 4.24Å; K15-V108 HydrophobicContact CG-CG2 4.43Å; E20-V108 HydrophobicContact CB-CB 3.98Å; E20-V108 HydrophobicContact CB-CG1 3.93Å; E20-V108 HydrophobicContact CB-CG2 4.43Å; E20-V108 HydrophobicContact CG-CB 4.22Å; E20-V108 HydrophobicContact CG-CG2 4.35Å; E20-V108 VanDerWaalsContact O-CB 3.26Å; E20-V108 WeakPolarHBondContact O-CB 3.42Å; E20-V108 WeakPolarHBondContact O-CG1 3.49Å; E20-V108 PolarHBondContact O-N 3.08Å; L22-V108 HydrophobicContact CD1-CB 4.18Å; L22-V108 HydrophobicContact CD1-CG2 3.82Å; L22-V108 HydrophobicContact CG-CB 4.42Å; L22-V108 HydrophobicContact CG-CG2 4.45Å; V108-C110 PolarHBondContact O-N 3.48Å; V108-C110 PolarHBondContact O-SG 3.45Å; V108-C110 VanDerWaalsContact O-SG 3.39Å
109Q82.8Confident81.6Confident30 Ų3056.6 Ų56.614%0.1431%0.311CS..THydrogen-bonded Turntrans-62.3-25.4169.2-64178.431.900112I12 K15 Y16 Y33 S107 I111I12-Q109 HydrophobicContact CG1-CB 4.5Å; K15-Q109 HydrophobicContact CB-CG 4.25Å; Y16-Q109 PolarHBondContact O-NE2 3.47Å; Y33-Q109 PolarHBondContact OH-O 2.88Å; S107-Q109 PolarHBondContact O-N 3.2Å; S107-Q109 WeakPolarHBondContact OG-CG 3.14Å; S107-Q109 PolarHBondContact OG-N 3.36Å; Q109-I111 HydrophobicContact CB-CG1 4.2Å; Q109-I111 PolarHBondContact O-N 3.48Å
110C85.1Confident82Confident0 Ų054.4 Ų54.40%030%0.299CS..  trans56.641.1175.5-580000113.7C27 Y33 S107 V108 N112 V115C27-C110 WeakPolarHBondContact CA-SG 3.46Å; C27-C110 HydrophobicContact CB-CB 3.62Å; C27-C110 WeakPolarHBondContact CB-SG 3.48Å; C27-C110 VanDerWaalsContact SG-CA 3.54Å; C27-C110 WeakPolarHBondContact SG-CB 3.31Å; C27-C110 CovalentContact SG-SG 2.04Å; C27-C110 PolarHBondContact SG-SG 3.1Å; Y33-C110 VanDerWaalsContact OH-CB 3.3Å; Y33-C110 WeakPolarHBondContact OH-CB 3.38Å; Y33-C110 PolarHBondContact OH-O 3.25Å; S107-C110 PolarHBondContact O-N 3.31Å; V108-C110 PolarHBondContact O-N 3.48Å; V108-C110 PolarHBondContact O-SG 3.45Å; V108-C110 VanDerWaalsContact O-SG 3.39Å; C110-N112 PolarHBondContact O-N 2.82Å; C110-V115 HydrophobicContact CB-CG2 4.01Å; C110-V115 WeakPolarHBondContact O-CG2 3.2Å
111I81.4Confident82.1Confident49 Ų4948 Ų4825%0.25127%0.269SS..  trans-56.8133.7-178.3-59.7173.5000109.2Q109 S113 E114 V115Q109-I111 HydrophobicContact CB-CG1 4.2Å; Q109-I111 PolarHBondContact O-N 3.48Å; I111-S113 PolarHBondContact O-N 2.82Å; I111-S113 VanDerWaalsContact O-N 3.11Å; I111-E114 HydrophobicContact CB-CG 4.35Å; I111-E114 WeakPolarHBondContact O-CB 3.24Å; I111-E114 PolarHBondContact O-N 3.1Å; I111-V115 WeakPolarHBondContact O-CG2 3.34Å; I111-V115 PolarHBondContact O-N 3.4Å
112N78Confident82.4Confident22 Ų2244.9 Ų44.912%0.11825%0.252CS..Hα-helixtrans-49.9-42.4-172.5-81.6-16.1000113.5Y33 P34 Y37 C110 E114 V115 L116 Y121Y33-N112 WeakPolarHBondContact CD2-OD1 3.3Å; Y33-N112 WeakPolarHBondContact CE2-OD1 3Å; P34-N112 WeakPolarHBondContact CA-OD1 3.38Å; P34-N112 VanDerWaalsContact CB-OD1 3.26Å; P34-N112 WeakPolarHBondContact CB-OD1 3.48Å; P34-N112 VanDerWaalsContact CG-OD1 3.31Å; P34-N112 WeakPolarHBondContact CG-OD1 3.29Å; Y37-N112 WeakPolarHBondContact CD2-ND2 3.16Å; Y37-N112 VanDerWaalsContact CE2-ND2 3.28Å; Y37-N112 WeakPolarHBondContact CE2-ND2 3.31Å; C110-N112 PolarHBondContact O-N 2.82Å; N112-E114 PolarHBondContact O-N 3.3Å; N112-V115 PolarHBondContact O-N 3.04Å; N112-L116 PolarHBondContact O-N 3.34Å; N112-Y121 WeakPolarHBondContact CB-OH 3.27Å; N112-Y121 PolarHBondContact O-OH 2.95Å
113S76Confident83.3Confident63 Ų6344.3 Ų44.344%0.44125%0.248SC..Hα-helixtrans-65.4-19.7179.454.70000114.2I111I111-S113 PolarHBondContact O-N 2.82Å; I111-S113 VanDerWaalsContact O-N 3.11Å
114E80Confident84.2Confident71 Ų7139.1 Ų39.133%0.33221%0.211SC..Hα-helixtrans-92.5-30.2176.4-60-17817500112I106 S107 I111 N112I106-E114 HydrophobicContact CB-CB 4.12Å; I106-E114 HydrophobicContact CD1-CB 4.15Å; I106-E114 HydrophobicContact CG2-CB 3.99Å; S107-E114 PolarHBondContact N-OE2 2.81Å; I111-E114 HydrophobicContact CB-CG 4.35Å; I111-E114 WeakPolarHBondContact O-CB 3.24Å; I111-E114 PolarHBondContact O-N 3.1Å; N112-E114 PolarHBondContact O-N 3.3Å
115V86Confident84.5Confident0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-77.5-30.8-174.8179.10000112.6P24 C27 M28 I106 C110 I111 N112P24-V115 WeakPolarHBondContact CB-O 3.22Å; C27-V115 HydrophobicContact CB-CG1 4.39Å; C27-V115 HydrophobicContact CB-CG2 3.89Å; M28-V115 HydrophobicContact CG-CG1 3.63Å; M28-V115 HydrophobicContact SD-CG1 3.5Å; M28-V115 VanDerWaalsContact SD-CG1 3.5Å; I106-V115 HydrophobicContact CD1-CB 4.34Å; I106-V115 HydrophobicContact CD1-CG2 3.65Å; C110-V115 HydrophobicContact CB-CG2 4.01Å; C110-V115 WeakPolarHBondContact O-CG2 3.2Å; I111-V115 WeakPolarHBondContact O-CG2 3.34Å; I111-V115 PolarHBondContact O-N 3.4Å; N112-V115 PolarHBondContact O-N 3.04Å
116L87.6Confident84.6Confident2 Ų236.1 Ų36.11%0.0119%0.192CC..SBendtrans-126.1143.2-176.3-66.7167.2000110.3I38 C91 N112 F120 Y121I38-L116 HydrophobicContact CD1-CD1 3.76Å; C91-L116 WeakPolarHBondContact O-CD2 3.27Å; N112-L116 PolarHBondContact O-N 3.34Å; L116-F120 HydrophobicContact CB-CD1 3.98Å; L116-F120 HydrophobicContact CB-CG 4.45Å; L116-F120 HydrophobicContact CD1-CD1 3.78Å; L116-F120 HydrophobicContact CD1-CE1 3.68Å; L116-F120 HydrophobicContact CD1-CZ 4.39Å; L116-F120 HydrophobicContact CG-CD1 4.3Å; L116-Y121 HydrophobicContact CB-CE2 3.76Å
117P85.8Confident84.8Confident21 Ų2138.7 Ų38.714%0.13621%0.208CC..  trans-74.2155-177.831.2-32.3000110.7R94 Q98 D119 F120R94-P117 HydrophobicContact CB-CG 4.19Å; Q98-P117 VanDerWaalsContact OE1-N 3.13Å; P117-D119 VanDerWaalsContact C-N 3.29Å; P117-D119 PolarHBondContact O-N 2.96Å; P117-F120 HydrophobicContact CG-CB 4.08Å; P117-F120 VanDerWaalsContact O-CB 3.29Å; P117-F120 WeakPolarHBondContact O-CB 3.37Å; P117-F120 PolarHBondContact O-N 3.26Å
118E81.9Confident85.1Confident114 Ų11437.8 Ų37.853%0.53320%0.202SC..Hα-helixtrans-56.8-39.6-178.2-61.6-176.1169.900113F120 Y121 L122 Y193E118-F120 PolarHBondContact O-N 3.4Å; E118-F120 VanDerWaalsContact O-N 3.16Å; E118-Y121 WeakPolarHBondContact O-CB 3.34Å; E118-Y121 PolarHBondContact O-N 3.11Å; E118-L122 PolarHBondContact O-N 2.96Å; E118-Y193 HydrophobicContact CB-CD1 4.21Å; E118-Y193 HydrophobicContact CB-CE1 4.38Å; E118-Y193 HydrophobicContact CG-CD1 3.89Å; E118-Y193 HydrophobicContact CG-CE1 3.71Å
119D83.9Confident85.2Confident97 Ų9737.9 Ų37.952%0.51920%0.203SC..Hα-helixtrans-60.2-29.4177.8-40.8-41.5000112.8R94 P117 V123R94-D119 IonicContact CZ-OD2 3.21Å; R94-D119 IonicContact NH2-OD2 3.17Å; R94-D119 PolarHBondContact NH2-OD2 3.07Å; P117-D119 VanDerWaalsContact C-N 3.29Å; P117-D119 PolarHBondContact O-N 2.96Å; D119-V123 WeakPolarHBondContact O-CG2 3.49Å; D119-V123 PolarHBondContact O-N 2.96Å; D119-V123 VanDerWaalsContact O-N 3.14Å
120F89.4Confident85.5Confident0 Ų040.8 Ų40.80%022%0.222CC..Hα-helixtrans-64.2-50.1175.3166.4-90.7000109.6I38 Y90 C91 R94 L116 P117 E118 L122 V123 H124I38-F120 HydrophobicContact CD1-CE1 3.64Å; I38-F120 HydrophobicContact CD1-CZ 3.46Å; I38-F120 VanDerWaalsContact CD1-CZ 3.46Å; I38-F120 HydrophobicContact CG1-CE1 4.05Å; I38-F120 HydrophobicContact CG1-CZ 3.92Å; I38-F120 HydrophobicContact CG2-CZ 4.37Å; Y90-F120 AromaticContact CD1-CD2 3.53Å; Y90-F120 HydrophobicContact CD1-CD2 3.53Å; Y90-F120 AromaticContact CD1-CE2 3.58Å; Y90-F120 HydrophobicContact CD1-CE2 3.58Å; Y90-F120 AromaticContact CE1-CD2 3.49Å; Y90-F120 HydrophobicContact CE1-CD2 3.49Å; Y90-F120 VanDerWaalsContact CE1-CD2 3.49Å; Y90-F120 AromaticContact CE1-CE2 3.99Å; Y90-F120 HydrophobicContact CE1-CE2 3.99Å; Y90-F120 HydrophobicContact CE1-CG 4.45Å; Y90-F120 HydrophobicContact CG-CD2 4.41Å; Y90-F120 HydrophobicContact CG-CE2 4.43Å; C91-F120 VanDerWaalsContact CA-CE2 3.41Å; C91-F120 HydrophobicContact CB-CE2 3.64Å; C91-F120 HydrophobicContact CB-CZ 3.78Å; R94-F120 HydrophobicContact CB-CB 4.4Å; R94-F120 HydrophobicContact CB-CD2 4.39Å; R94-F120 HydrophobicContact CG-CB 4.31Å; R94-F120 HydrophobicContact CG-CD2 4.16Å; L116-F120 HydrophobicContact CB-CD1 3.98Å; L116-F120 HydrophobicContact CB-CG 4.45Å; L116-F120 HydrophobicContact CD1-CD1 3.78Å; L116-F120 HydrophobicContact CD1-CE1 3.68Å; L116-F120 HydrophobicContact CD1-CZ 4.39Å; L116-F120 HydrophobicContact CG-CD1 4.3Å; P117-F120 HydrophobicContact CG-CB 4.08Å; P117-F120 VanDerWaalsContact O-CB 3.29Å; P117-F120 WeakPolarHBondContact O-CB 3.37Å; P117-F120 PolarHBondContact O-N 3.26Å; E118-F120 PolarHBondContact O-N 3.4Å; E118-F120 VanDerWaalsContact O-N 3.16Å; F120-L122 VanDerWaalsContact C-N 3.3Å; F120-L122 PolarHBondContact O-N 3.09Å; F120-V123 PolarHBondContact O-N 2.87Å; F120-H124 HydrophobicContact CE1-CB 4.14Å; F120-H124 HydrophobicContact CE2-CB 4.49Å; F120-H124 HydrophobicContact CZ-CB 4.02Å; F120-H124 WeakPolarHBondContact O-CB 3.25Å; F120-H124 PolarHBondContact O-N 3.25Å
121Y84.6Confident85.9Confident13 Ų1342.3 Ų42.35%0.05123%0.231CC..Hα-helixtrans-61.7-40179-71.9-62000111.9N112 L116 E118 V123 H124 Y125N112-Y121 WeakPolarHBondContact CB-OH 3.27Å; N112-Y121 PolarHBondContact O-OH 2.95Å; L116-Y121 HydrophobicContact CB-CE2 3.76Å; E118-Y121 WeakPolarHBondContact O-CB 3.34Å; E118-Y121 PolarHBondContact O-N 3.11Å; Y121-V123 PolarHBondContact O-N 2.51Å; Y121-H124 PolarHBondContact O-N 2.9Å; Y121-Y125 HydrophobicContact CD1-CE1 4.46Å; Y121-Y125 AromaticContact CD1-CE2 3.67Å; Y121-Y125 HydrophobicContact CD1-CE2 3.67Å; Y121-Y125 AromaticContact CD1-CZ 3.58Å; Y121-Y125 VanDerWaalsContact CD1-OH 3.27Å; Y121-Y125 WeakPolarHBondContact CD1-OH 3.14Å; Y121-Y125 HydrophobicContact CG-CE2 4.04Å; Y121-Y125 VanDerWaalsContact O-CB 3.25Å; Y121-Y125 WeakPolarHBondContact O-CB 3.22Å; Y121-Y125 WeakPolarHBondContact O-CD2 3.19Å; Y121-Y125 VanDerWaalsContact O-CG 3.23Å; Y121-Y125 PolarHBondContact O-N 3.17Å
122L84.5Confident86.2Confident74 Ų7440.3 Ų40.339%0.38722%0.222SC..Hα-helixtrans-57.8-51.5175.9-166.5108.6000111.1E118 F120 M126 T190E118-L122 PolarHBondContact O-N 2.96Å; F120-L122 VanDerWaalsContact C-N 3.3Å; F120-L122 PolarHBondContact O-N 3.09Å; L122-M126 WeakPolarHBondContact O-CB 3.32Å; L122-M126 WeakPolarHBondContact O-CG 3.41Å; L122-M126 PolarHBondContact O-N 3.11Å; L122-T190 HydrophobicContact CD1-CG2 3.68Å; L122-T190 HydrophobicContact CG-CG2 4.16Å
123V89.3Confident86.7Confident61 Ų6143.4 Ų43.437%0.3724%0.238SC..Hα-helixtrans-63.4-48.8179.2173.50000111Y90 D119 F120 Y121 M126 T127Y90-V123 HydrophobicContact CE1-CB 4.13Å; Y90-V123 HydrophobicContact CE1-CG1 4.01Å; D119-V123 WeakPolarHBondContact O-CG2 3.49Å; D119-V123 PolarHBondContact O-N 2.96Å; D119-V123 VanDerWaalsContact O-N 3.14Å; F120-V123 PolarHBondContact O-N 2.87Å; Y121-V123 PolarHBondContact O-N 2.51Å; V123-M126 PolarHBondContact O-N 3.08Å; V123-T127 HydrophobicContact CG1-CG2 4.43Å; V123-T127 WeakPolarHBondContact O-CG2 3.46Å; V123-T127 PolarHBondContact O-N 3.25Å; V123-T127 PolarHBondContact O-OG1 3.05Å; V123-T127 VanDerWaalsContact O-OG1 3.08Å
124H90.5Very high87.5Confident2 Ų244.5 Ų44.51%0.00924%0.238CC..Hα-helixtrans-64.6-41.3-176.717582.6000112.9D41 T42 D87 F120 Y121 T127 N128D41-H124 IonicContact OD2-NE2 3.97Å; T42-H124 PolarHBondContact OG1-CE1 3.43Å; T42-H124 VanDerWaalsContact OG1-CE1 3.28Å; D87-H124 IonicContact OD1-CE1 2.93Å; D87-H124 IonicContact OD1-CG 3.03Å; D87-H124 IonicContact OD1-ND1 3.98Å; D87-H124 PolarHBondContact OD1-ND1 3.08Å; D87-H124 IonicContact OD2-CE1 3.78Å; D87-H124 PolarHBondContact OD2-CE1 3.25Å; D87-H124 IonicContact OD2-ND1 2.93Å; D87-H124 PolarHBondContact OD2-ND1 2.63Å; F120-H124 HydrophobicContact CE1-CB 4.14Å; F120-H124 HydrophobicContact CE2-CB 4.49Å; F120-H124 HydrophobicContact CZ-CB 4.02Å; F120-H124 WeakPolarHBondContact O-CB 3.25Å; F120-H124 PolarHBondContact O-N 3.25Å; Y121-H124 PolarHBondContact O-N 2.9Å; H124-T127 PolarHBondContact O-OG1 3.43Å; H124-N128 PolarHBondContact CE1-ND2 3.28Å; H124-N128 PolarHBondContact NE2-ND2 3.14Å; H124-N128 VanDerWaalsContact NE2-ND2 3.17Å; H124-N128 WeakPolarHBondContact O-CB 3.4Å; H124-N128 PolarHBondContact O-N 3.29Å; H124-N128 VanDerWaalsContact O-N 3.11Å; H124-N128 PolarHBondContact O-ND2 3.11Å; H124-N128 VanDerWaalsContact O-ND2 3.08Å
125Y86.5Confident88.1Confident13 Ų1341.1 Ų41.15%0.05122%0.222CC..Hα-helixtrans-74.6-35177.6-63.6-33.3000112.4Y121 A129 L186 V189 W206Y121-Y125 HydrophobicContact CD1-CE1 4.46Å; Y121-Y125 AromaticContact CD1-CE2 3.67Å; Y121-Y125 HydrophobicContact CD1-CE2 3.67Å; Y121-Y125 AromaticContact CD1-CZ 3.58Å; Y121-Y125 VanDerWaalsContact CD1-OH 3.27Å; Y121-Y125 WeakPolarHBondContact CD1-OH 3.14Å; Y121-Y125 HydrophobicContact CG-CE2 4.04Å; Y121-Y125 VanDerWaalsContact O-CB 3.25Å; Y121-Y125 WeakPolarHBondContact O-CB 3.22Å; Y121-Y125 WeakPolarHBondContact O-CD2 3.19Å; Y121-Y125 VanDerWaalsContact O-CG 3.23Å; Y121-Y125 PolarHBondContact O-N 3.17Å; Y125-A129 WeakPolarHBondContact O-CB 3.45Å; Y125-A129 PolarHBondContact O-N 3.42Å; Y125-L186 HydrophobicContact CD1-CD1 4.43Å; Y125-L186 HydrophobicContact CD1-CD2 3.35Å; Y125-L186 HydrophobicContact CD1-CG 4.44Å; Y125-L186 HydrophobicContact CD2-CD2 4.13Å; Y125-L186 HydrophobicContact CE1-CD2 3.62Å; Y125-L186 HydrophobicContact CE2-CD2 4.35Å; Y125-L186 HydrophobicContact CG-CD2 3.66Å; Y125-V189 HydrophobicContact CD2-CG1 4.27Å; Y125-V189 HydrophobicContact CE2-CG1 4.18Å; Y125-W206 WeakPolarHBondContact OH-CZ2 3.31Å
126M87.1Confident88.2Confident86 Ų8641.8 Ų41.842%0.42423%0.227SC..Hα-helixtrans-65.9-44.1174.5-74-63.4-67.400112L122 V123 A129 V130 T190L122-M126 WeakPolarHBondContact O-CB 3.32Å; L122-M126 WeakPolarHBondContact O-CG 3.41Å; L122-M126 PolarHBondContact O-N 3.11Å; V123-M126 PolarHBondContact O-N 3.08Å; M126-A129 PolarHBondContact O-N 3.28Å; M126-V130 VanDerWaalsContact O-CG2 3.3Å; M126-V130 WeakPolarHBondContact O-CG2 3.27Å; M126-V130 PolarHBondContact O-N 2.63Å; M126-T190 HydrophobicContact CG-CG2 4.13Å; M126-T190 HydrophobicContact SD-CG2 3.96Å
127T91Very high88.4Confident70 Ų7047.2 Ų47.243%0.42925%0.251SS..Hα-helixtrans-62.2-47.2176.352.30000110.8V123 H124 A129 V130 V131V123-T127 HydrophobicContact CG1-CG2 4.43Å; V123-T127 WeakPolarHBondContact O-CG2 3.46Å; V123-T127 PolarHBondContact O-N 3.25Å; V123-T127 PolarHBondContact O-OG1 3.05Å; V123-T127 VanDerWaalsContact O-OG1 3.08Å; H124-T127 PolarHBondContact O-OG1 3.43Å; T127-A129 PolarHBondContact O-N 2.92Å; T127-V130 PolarHBondContact O-N 3.43Å; T127-V131 WeakPolarHBondContact O-CG2 3.29Å; T127-V131 PolarHBondContact O-N 3.42Å
128N90Very high88.7Confident4 Ų447.3 Ų47.32%0.02125%0.251CS..Hα-helixtrans-61.7-41.5177.2-85.5-50.4000112.7T42 S45 H124 V131 T132T42-N128 WeakPolarHBondContact CA-OD1 3.23Å; T42-N128 PolarHBondContact OG1-ND2 2.86Å; S45-N128 VanDerWaalsContact CB-OD1 3.3Å; S45-N128 WeakPolarHBondContact CB-OD1 3.38Å; S45-N128 PolarHBondContact OG-OD1 3.49Å; H124-N128 PolarHBondContact CE1-ND2 3.28Å; H124-N128 PolarHBondContact NE2-ND2 3.14Å; H124-N128 VanDerWaalsContact NE2-ND2 3.17Å; H124-N128 WeakPolarHBondContact O-CB 3.4Å; H124-N128 PolarHBondContact O-N 3.29Å; H124-N128 VanDerWaalsContact O-N 3.11Å; H124-N128 PolarHBondContact O-ND2 3.11Å; H124-N128 VanDerWaalsContact O-ND2 3.08Å; N128-V131 PolarHBondContact O-N 2.9Å; N128-T132 WeakPolarHBondContact O-CG2 3.41Å; N128-T132 PolarHBondContact O-N 3.01Å; N128-T132 PolarHBondContact O-OG1 3.44Å
129A87.2Confident89Confident4 Ų442.1 Ų42.13%0.03323%0.227CC..Hα-helixtrans-63.6-41.8175.800000112.1Y125 M126 T127 V131 T132 L133 T183 L187Y125-A129 WeakPolarHBondContact O-CB 3.45Å; Y125-A129 PolarHBondContact O-N 3.42Å; M126-A129 PolarHBondContact O-N 3.28Å; T127-A129 PolarHBondContact O-N 2.92Å; A129-V131 VanDerWaalsContact C-N 3.35Å; A129-V131 PolarHBondContact O-N 3.18Å; A129-T132 PolarHBondContact O-N 2.94Å; A129-T132 PolarHBondContact O-OG1 3.4Å; A129-L133 VanDerWaalsContact O-CB 3.29Å; A129-L133 WeakPolarHBondContact O-CB 3.19Å; A129-L133 WeakPolarHBondContact O-CG 3.39Å; A129-L133 PolarHBondContact O-N 3.48Å; A129-T183 HydrophobicContact CB-CG2 4.35Å; A129-L187 HydrophobicContact CB-CD2 4.48Å
130V90.1Very high89.3Confident90 Ų9043.1 Ų43.155%0.54523%0.231SC..Hα-helixtrans-62.4-43.6176169.10000110.9M126 T127 L133 L134M126-V130 VanDerWaalsContact O-CG2 3.3Å; M126-V130 WeakPolarHBondContact O-CG2 3.27Å; M126-V130 PolarHBondContact O-N 2.63Å; T127-V130 PolarHBondContact O-N 3.43Å; V130-L133 PolarHBondContact O-N 2.99Å; V130-L134 WeakPolarHBondContact O-CB 3.28Å; V130-L134 PolarHBondContact O-N 2.82Å
131V92.4Very high89.3Confident33 Ų3346.6 Ų46.620%0.225%0.248CC..Hα-helixtrans-62.1-46.4177.61720000111.1S45 L49 T127 N128 A129 L134 A135S45-V131 WeakPolarHBondContact O-CG1 3.31Å; L49-V131 HydrophobicContact CB-CG1 4.12Å; L49-V131 HydrophobicContact CD2-CG1 4.21Å; T127-V131 WeakPolarHBondContact O-CG2 3.29Å; T127-V131 PolarHBondContact O-N 3.42Å; N128-V131 PolarHBondContact O-N 2.9Å; A129-V131 VanDerWaalsContact C-N 3.35Å; A129-V131 PolarHBondContact O-N 3.18Å; V131-L134 PolarHBondContact O-N 2.82Å; V131-A135 WeakPolarHBondContact O-CB 3.45Å; V131-A135 PolarHBondContact O-N 2.84Å
132T88.9Confident89.6Confident7 Ų746 Ų464%0.04325%0.246CC..Hα-helixtrans-68-36.5178.757.60000112.5N128 A129 A135 A136 T183N128-T132 WeakPolarHBondContact O-CG2 3.41Å; N128-T132 PolarHBondContact O-N 3.01Å; N128-T132 PolarHBondContact O-OG1 3.44Å; A129-T132 PolarHBondContact O-N 2.94Å; A129-T132 PolarHBondContact O-OG1 3.4Å; T132-A135 WeakPolarHBondContact O-CB 3.35Å; T132-A135 PolarHBondContact O-N 3.46Å; T132-A136 WeakPolarHBondContact O-CB 3.29Å; T132-A136 PolarHBondContact O-N 3.4Å; T132-T183 PolarHBondContact OG1-OG1 3.45Å
133L89.1Confident89.7Confident87 Ų8744.8 Ų44.846%0.45524%0.239SC..Hα-helixtrans-65.8-41.7174.6-74.6171.6000111.8A129 V130 A135 A136 F137 L179 T183A129-L133 VanDerWaalsContact O-CB 3.29Å; A129-L133 WeakPolarHBondContact O-CB 3.19Å; A129-L133 WeakPolarHBondContact O-CG 3.39Å; A129-L133 PolarHBondContact O-N 3.48Å; V130-L133 PolarHBondContact O-N 2.99Å; L133-A135 VanDerWaalsContact C-N 3.33Å; L133-A136 WeakPolarHBondContact O-CB 3.33Å; L133-A136 PolarHBondContact O-N 2.96Å; L133-F137 PolarHBondContact O-N 3.44Å; L133-L179 HydrophobicContact CD2-CD2 4.13Å; L133-T183 HydrophobicContact CG-CG2 4.49Å
134L92.8Very high89.7Confident86 Ų8646.8 Ų46.845%0.4524%0.243SC..Hα-helixtrans-61.4-44173.4179.961.7000110.9L49 V130 V131 A136 F137 L138L49-L134 HydrophobicContact CD1-CD2 4.11Å; L49-L134 HydrophobicContact CD1-CG 4.16Å; V130-L134 WeakPolarHBondContact O-CB 3.28Å; V130-L134 PolarHBondContact O-N 2.82Å; V131-L134 PolarHBondContact O-N 2.82Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-A136 PolarHBondContact O-N 3.21Å; L134-F137 PolarHBondContact O-N 3.33Å; L134-L138 HydrophobicContact CG-CD1 4.44Å; L134-L138 WeakPolarHBondContact O-CG 3.21Å; L134-L138 PolarHBondContact O-N 3.45Å
135A92.3Very high89.5Confident0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-59.6-41.817500000112.1M48 L49 S52 V131 T132 L133 L138 C139 F175M48-A135 HydrophobicContact CB-CB 4.11Å; L49-A135 HydrophobicContact CB-CB 4.26Å; L49-A135 HydrophobicContact CD1-CB 4.42Å; S52-A135 WeakPolarHBondContact CB-O 3.36Å; S52-A135 PolarHBondContact OG-O 3.18Å; V131-A135 WeakPolarHBondContact O-CB 3.45Å; V131-A135 PolarHBondContact O-N 2.84Å; T132-A135 WeakPolarHBondContact O-CB 3.35Å; T132-A135 PolarHBondContact O-N 3.46Å; L133-A135 VanDerWaalsContact C-N 3.33Å; A135-L138 PolarHBondContact O-N 2.7Å; A135-C139 PolarHBondContact O-N 2.91Å; A135-F175 HydrophobicContact CB-CE1 4.29Å
136A88.1Confident89.4Confident13 Ų1348 Ų4811%0.10725%0.248CC..Hα-helixtrans-64.3-43.7176.300000112T132 L133 L134 L138 C139 L140 L179T132-A136 WeakPolarHBondContact O-CB 3.29Å; T132-A136 PolarHBondContact O-N 3.4Å; L133-A136 WeakPolarHBondContact O-CB 3.33Å; L133-A136 PolarHBondContact O-N 2.96Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-A136 PolarHBondContact O-N 3.21Å; A136-L138 PolarHBondContact O-N 3.48Å; A136-C139 WeakPolarHBondContact O-CB 3.35Å; A136-C139 PolarHBondContact O-N 3.36Å; A136-L140 WeakPolarHBondContact O-CG 3.39Å; A136-L140 PolarHBondContact O-N 3.37Å; A136-L179 HydrophobicContact CB-CD1 3.9Å; A136-L179 HydrophobicContact CB-CD2 4.24Å; A136-L179 HydrophobicContact CB-CG 4.42Å
137F90.3Very high89.3Confident116 Ų11649 Ų4951%0.50925%0.252SS..Hα-helixtrans-58.9-46.5174.6175.6-99.9000111.7L133 L134 C139 L140 M141L133-F137 PolarHBondContact O-N 3.44Å; L134-F137 PolarHBondContact O-N 3.33Å; F137-C139 VanDerWaalsContact C-N 3.3Å; F137-C139 PolarHBondContact O-N 3Å; F137-L140 WeakPolarHBondContact O-CB 3.31Å; F137-L140 PolarHBondContact O-N 2.79Å; F137-L140 VanDerWaalsContact O-N 3.16Å; F137-M141 HydrophobicContact CD1-CG 4.29Å; F137-M141 HydrophobicContact CE1-CG 3.85Å; F137-M141 HydrophobicContact CE2-CG 4.36Å; F137-M141 HydrophobicContact CE2-SD 4.48Å; F137-M141 HydrophobicContact CZ-CG 3.88Å; F137-M141 HydrophobicContact CZ-SD 4.06Å; F137-M141 WeakPolarHBondContact O-CG 3.14Å; F137-M141 PolarHBondContact O-N 3.49Å
138L92.5Very high88.9Confident24 Ų2453 Ų5313%0.12626%0.259CS..Hα-helixtrans-61.2-38.6175.5-69.1173.1000112L49 L53 L56 L134 A135 A136 M141 C142L49-L138 HydrophobicContact CD1-CD1 3.77Å; L53-L138 HydrophobicContact CD2-CD1 3.73Å; L53-L138 HydrophobicContact CG-CD1 4.02Å; L56-L138 HydrophobicContact CD2-CD2 3.94Å; L134-L138 HydrophobicContact CG-CD1 4.44Å; L134-L138 WeakPolarHBondContact O-CG 3.21Å; L134-L138 PolarHBondContact O-N 3.45Å; A135-L138 PolarHBondContact O-N 2.7Å; A136-L138 PolarHBondContact O-N 3.48Å; L138-M141 WeakPolarHBondContact O-CB 3.36Å; L138-M141 PolarHBondContact O-N 3.19Å; L138-C142 PolarHBondContact O-N 2.9Å; L138-C142 PolarHBondContact O-SG 3.48Å
139C89.4Confident88.5Confident4 Ų453.9 Ų53.93%0.02726%0.263CS..Hα-helixtrans-64-41174.3-176.30000111.9A135 A136 F137 M141 C142 M143 T172 F175A135-C139 PolarHBondContact O-N 2.91Å; A136-C139 WeakPolarHBondContact O-CB 3.35Å; A136-C139 PolarHBondContact O-N 3.36Å; F137-C139 VanDerWaalsContact C-N 3.3Å; F137-C139 PolarHBondContact O-N 3Å; C139-M141 VanDerWaalsContact C-N 3.34Å; C139-C142 WeakPolarHBondContact O-CB 3.48Å; C139-C142 PolarHBondContact O-N 2.93Å; C139-M143 WeakPolarHBondContact O-CG 3.3Å; C139-M143 PolarHBondContact O-N 3.03Å; C139-T172 PolarHBondContact SG-OG1 3.17Å; C139-F175 HydrophobicContact CB-CD2 3.69Å; C139-F175 HydrophobicContact CB-CE2 3.79Å; C139-F175 HydrophobicContact CB-CG 4.39Å; C139-F175 WeakPolarHBondContact SG-CD2 3.17Å
140L89.4Confident87.9Confident118 Ų11860 Ų6062%0.61829%0.289SS*.Hα-helixtrans-62.9-41.5174.8-70174000111.4A136 F137 C142 M143 F144A136-L140 WeakPolarHBondContact O-CG 3.39Å; A136-L140 PolarHBondContact O-N 3.37Å; F137-L140 WeakPolarHBondContact O-CB 3.31Å; F137-L140 PolarHBondContact O-N 2.79Å; F137-L140 VanDerWaalsContact O-N 3.16Å; L140-C142 VanDerWaalsContact C-N 3.33Å; L140-C142 PolarHBondContact O-N 3.5Å; L140-M143 WeakPolarHBondContact O-CB 3.32Å; L140-M143 PolarHBondContact O-N 3.17Å; L140-F144 PolarHBondContact O-N 3.41Å
141M90.4Very high87.2Confident73 Ų7360.8 Ų60.836%0.3630%0.298SS..Hα-helixtrans-60.8-42.7173.4-69.7-61.7-69.700111.6F137 L138 C139 M143 F144 I145F137-M141 HydrophobicContact CD1-CG 4.29Å; F137-M141 HydrophobicContact CE1-CG 3.85Å; F137-M141 HydrophobicContact CE2-CG 4.36Å; F137-M141 HydrophobicContact CE2-SD 4.48Å; F137-M141 HydrophobicContact CZ-CG 3.88Å; F137-M141 HydrophobicContact CZ-SD 4.06Å; F137-M141 WeakPolarHBondContact O-CG 3.14Å; F137-M141 PolarHBondContact O-N 3.49Å; L138-M141 WeakPolarHBondContact O-CB 3.36Å; L138-M141 PolarHBondContact O-N 3.19Å; C139-M141 VanDerWaalsContact C-N 3.34Å; M141-M143 VanDerWaalsContact C-N 3.34Å; M141-M143 PolarHBondContact O-N 2.8Å; M141-F144 PolarHBondContact O-N 2.94Å; M141-I145 WeakPolarHBondContact O-CB 3.22Å; M141-I145 WeakPolarHBondContact O-CD1 3.26Å; M141-I145 VanDerWaalsContact O-CG1 3.22Å; M141-I145 WeakPolarHBondContact O-CG1 3.38Å; M141-I145 PolarHBondContact O-N 2.96Å
142C90.1Very high86.3Confident0 Ų066.3 Ų66.30%032%0.322CS..Hα-helixtrans-59.5-44174-68.80000111.9L56 L59 L138 C139 L140 F144 I145 Y146 L168L56-C142 WeakPolarHBondContact CA-SG 2.98Å; L56-C142 PolarHBondContact N-SG 2.84Å; L56-C142 VanDerWaalsContact N-SG 3.44Å; L59-C142 HydrophobicContact CD1-CB 3.68Å; L138-C142 PolarHBondContact O-N 2.9Å; L138-C142 PolarHBondContact O-SG 3.48Å; C139-C142 WeakPolarHBondContact O-CB 3.48Å; C139-C142 PolarHBondContact O-N 2.93Å; L140-C142 VanDerWaalsContact C-N 3.33Å; L140-C142 PolarHBondContact O-N 3.5Å; C142-F144 PolarHBondContact O-N 3.04Å; C142-I145 PolarHBondContact O-N 3.26Å; C142-Y146 VanDerWaalsContact O-CB 3.22Å; C142-Y146 WeakPolarHBondContact O-CB 3.3Å; C142-Y146 PolarHBondContact O-N 2.89Å; C142-L168 HydrophobicContact CB-CD1 3.77Å
143M87.1Confident84.9Confident49 Ų4968.1 Ų68.124%0.24133%0.331CS..Hα-helixtrans-58.5-48175.1-73.7-66.7-67.900111.4C139 L140 M141 Y146 H147 L168C139-M143 WeakPolarHBondContact O-CG 3.3Å; C139-M143 PolarHBondContact O-N 3.03Å; L140-M143 WeakPolarHBondContact O-CB 3.32Å; L140-M143 PolarHBondContact O-N 3.17Å; M141-M143 VanDerWaalsContact C-N 3.34Å; M141-M143 PolarHBondContact O-N 2.8Å; M143-Y146 PolarHBondContact O-N 3.42Å; M143-H147 PolarHBondContact O-CD2 3.28Å; M143-H147 PolarHBondContact O-N 2.92Å; M143-L168 HydrophobicContact CG-CD1 4.44Å; M143-L168 HydrophobicContact CG-CD2 4.25Å; M143-L168 HydrophobicContact CG-CG 4.33Å; M143-L168 HydrophobicContact SD-CD1 4.22Å; M143-L168 HydrophobicContact SD-CD2 3.48Å; M143-L168 WeakPolarHBondContact SD-CD2 3.14Å; M143-L168 HydrophobicContact SD-CG 3.5Å; M143-L168 VanDerWaalsContact SD-CG 3.5Å
144F87.9Confident83.4Confident103 Ų10370.7 Ų70.745%0.45235%0.345SS..Hα-helixtrans-61.3-46.5178.6-177.4-105.2000112.6L140 M141 C142 Y146 H147 R148L140-F144 PolarHBondContact O-N 3.41Å; M141-F144 PolarHBondContact O-N 2.94Å; C142-F144 PolarHBondContact O-N 3.04Å; F144-Y146 PolarHBondContact O-N 3.26Å; F144-H147 PolarHBondContact O-N 2.97Å; F144-R148 HydrophobicContact CE1-CG 4.44Å; F144-R148 VanDerWaalsContact CZ-NH2 3.34Å; F144-R148 PolarHBondContact O-N 3.21Å
145I86.8Confident81.9Confident8 Ų870.6 Ų70.64%0.04136%0.357CS..Hα-helixtrans-60.7-46.8176.6-67.5159.4000110.3L56 L59 R60 M141 C142 H147 R148 Q149L56-I145 HydrophobicContact CD1-CD1 3.5Å; L59-I145 HydrophobicContact CB-CG2 4.3Å; R60-I145 HydrophobicContact CG-CD1 4.21Å; M141-I145 WeakPolarHBondContact O-CB 3.22Å; M141-I145 WeakPolarHBondContact O-CD1 3.26Å; M141-I145 VanDerWaalsContact O-CG1 3.22Å; M141-I145 WeakPolarHBondContact O-CG1 3.38Å; M141-I145 PolarHBondContact O-N 2.96Å; C142-I145 PolarHBondContact O-N 3.26Å; I145-H147 VanDerWaalsContact C-N 3.34Å; I145-H147 PolarHBondContact O-N 2.87Å; I145-R148 PolarHBondContact O-N 3.45Å; I145-Q149 HydrophobicContact CG2-CG 4.33Å; I145-Q149 VanDerWaalsContact CG2-NE2 3.35Å; I145-Q149 WeakPolarHBondContact O-CG 3.37Å; I145-Q149 PolarHBondContact O-N 3.22Å
146Y85.6Confident80.2Confident34 Ų3476.6 Ų76.613%0.13339%0.394CS..Hα-helixtrans-58.9-44.7178.4173.2-100.7000111.9L59 C142 M143 F144 Q149 K150 L161 G165 L168L59-Y146 HydrophobicContact CD2-CD2 4.32Å; C142-Y146 VanDerWaalsContact O-CB 3.22Å; C142-Y146 WeakPolarHBondContact O-CB 3.3Å; C142-Y146 PolarHBondContact O-N 2.89Å; M143-Y146 PolarHBondContact O-N 3.42Å; F144-Y146 PolarHBondContact O-N 3.26Å; Y146-Q149 PolarHBondContact O-N 2.67Å; Y146-K150 WeakPolarHBondContact O-CB 3.21Å; Y146-K150 PolarHBondContact O-N 3.25Å; Y146-L161 HydrophobicContact CD2-CD2 4.1Å; Y146-L161 HydrophobicContact CE2-CB 4.15Å; Y146-L161 HydrophobicContact CE2-CD2 4.2Å; Y146-L161 WeakPolarHBondContact CE2-O 3.2Å; Y146-G165 VanDerWaalsContact CZ-CA 3.48Å; Y146-L168 HydrophobicContact CD1-CD2 4.21Å; Y146-L168 HydrophobicContact CG-CD2 3.87Å
147H83.8Confident79.2Confident107 Ų10780.8 Ų80.850%0.49541%0.406SS..Hα-helixtrans-64-41.1177.6-83.9-71.3000112.8M143 F144 I145 K150 S151M143-H147 PolarHBondContact O-CD2 3.28Å; M143-H147 PolarHBondContact O-N 2.92Å; F144-H147 PolarHBondContact O-N 2.97Å; I145-H147 VanDerWaalsContact C-N 3.34Å; I145-H147 PolarHBondContact O-N 2.87Å; H147-K150 PolarHBondContact O-N 3.47Å; H147-S151 PolarHBondContact O-N 2.84Å
148R82.4Confident78.1Confident154 Ų15477.5 Ų77.558%0.58140%0.401SS*.Hα-helixtrans-61.4-51.9174-77.1-173.5162.6-175.5-2.4111.8F144 I145 K150 S151 E152F144-R148 HydrophobicContact CE1-CG 4.44Å; F144-R148 VanDerWaalsContact CZ-NH2 3.34Å; F144-R148 PolarHBondContact O-N 3.21Å; I145-R148 PolarHBondContact O-N 3.45Å; R148-K150 VanDerWaalsContact C-N 3.25Å; R148-K150 PolarHBondContact O-N 2.85Å; R148-S151 WeakPolarHBondContact O-CB 3.32Å; R148-S151 PolarHBondContact O-N 3.32Å; R148-E152 PolarHBondContact O-N 2.87Å
149Q81.3Confident76.7Confident21 Ų2180.8 Ų80.810%0.09842%0.422CS..Hα-helixtrans-62.9-31.5-179.8-66.9-173.821.600113L59 I145 Y146 S151 E152 N153 L161L59-Q149 PolarHBondContact O-NE2 3.28Å; I145-Q149 HydrophobicContact CG2-CG 4.33Å; I145-Q149 VanDerWaalsContact CG2-NE2 3.35Å; I145-Q149 WeakPolarHBondContact O-CG 3.37Å; I145-Q149 PolarHBondContact O-N 3.22Å; Y146-Q149 PolarHBondContact O-N 2.67Å; Q149-S151 VanDerWaalsContact C-N 3.27Å; Q149-S151 PolarHBondContact O-N 2.97Å; Q149-E152 PolarHBondContact O-N 3.47Å; Q149-N153 WeakPolarHBondContact O-CB 3.31Å; Q149-L161 HydrophobicContact CB-CD1 4.12Å; Q149-L161 HydrophobicContact CB-CD2 4.32Å
150K76.3Confident75.7Confident134 Ų13486.3 Ų86.358%0.58345%0.447SS*.Hα-helixtrans-64.7-32.4174.7-175.5-176.8175-167.10112.2Y146 H147 R148Y146-K150 WeakPolarHBondContact O-CB 3.21Å; Y146-K150 PolarHBondContact O-N 3.25Å; H147-K150 PolarHBondContact O-N 3.47Å; R148-K150 VanDerWaalsContact C-N 3.25Å; R148-K150 PolarHBondContact O-N 2.85Å
151S73.6Confident74.8Confident106 Ų10681 Ų8174%0.74142%0.419SS*.Hα-helixtrans-75.5-25-178.6-166.60000113.5H147 R148 Q149H147-S151 PolarHBondContact O-N 2.84Å; R148-S151 WeakPolarHBondContact O-CB 3.32Å; R148-S151 PolarHBondContact O-N 3.32Å; Q149-S151 VanDerWaalsContact C-N 3.27Å; Q149-S151 PolarHBondContact O-N 2.97Å
152E73.4Confident73.9Confident148 Ų14885.6 Ų85.669%0.69244%0.437SS*.THydrogen-bonded Turntrans-94.5-1.1-169.5-67.8177.1163.200114.1R148 Q149R148-E152 PolarHBondContact O-N 2.87Å; Q149-E152 PolarHBondContact O-N 3.47Å
153N59.8Low73Confident46 Ų4694.9 Ų94.925%0.24647%0.472CS..  trans-105.2137.8-143.2-125.321.1000118.7Q149 R157 L161Q149-N153 WeakPolarHBondContact O-CB 3.31Å; N153-R157 VanDerWaalsContact ND2-C 3.32Å; N153-R157 WeakPolarHBondContact ND2-CB 3.27Å; N153-R157 WeakPolarHBondContact ND2-CG 3.22Å; N153-R157 WeakPolarHBondContact OD1-CD 3.32Å; N153-L161 WeakPolarHBondContact ND2-CD1 3.43Å
154D57.5Low72.4Confident140 Ų14095 Ų9575%0.74947%0.473SS*.  trans-73.9158.6165.2-85.5-40000114.4V156 R157 A158D154-V156 VanDerWaalsContact C-N 3.32Å; D154-V156 PolarHBondContact O-N 3.28Å; D154-V156 VanDerWaalsContact O-N 3.11Å; D154-R157 PolarHBondContact O-N 3.38Å; D154-A158 PolarHBondContact O-N 3.38Å
155A61.1Low71.7Confident85 Ų8590.6 Ų90.670%0.70246%0.455SS*.Hα-helixtrans-52.9-35.9-168.300000115.9A158A155-A158 WeakPolarHBondContact O-CB 3.29Å
156V58.2Low71.2Confident126 Ų12694.7 Ų94.776%0.76448%0.477SS*.Hα-helixtrans-73.5-42.9-176.71790000111.6D154 A158 V159D154-V156 VanDerWaalsContact C-N 3.32Å; D154-V156 PolarHBondContact O-N 3.28Å; D154-V156 VanDerWaalsContact O-N 3.11Å; V156-A158 PolarHBondContact O-N 2.86Å; V156-V159 PolarHBondContact O-N 2.91Å
157R66.1Low70.8Confident100 Ų10096.3 Ų96.338%0.37749%0.49SS..Hα-helixtrans-73.6-19.6-179.5-166174.2158.8-1669.8111.3N153 D154 V159 Q160 L161N153-R157 VanDerWaalsContact ND2-C 3.32Å; N153-R157 WeakPolarHBondContact ND2-CB 3.27Å; N153-R157 WeakPolarHBondContact ND2-CG 3.22Å; N153-R157 WeakPolarHBondContact OD1-CD 3.32Å; D154-R157 PolarHBondContact O-N 3.38Å; R157-V159 VanDerWaalsContact C-N 3.32Å; R157-V159 PolarHBondContact O-N 3.48Å; R157-Q160 PolarHBondContact O-N 2.9Å; R157-L161 HydrophobicContact CG-CG 4.49Å; R157-L161 WeakPolarHBondContact O-CB 3.5Å; R157-L161 WeakPolarHBondContact O-CG 3.38Å; R157-L161 PolarHBondContact O-N 3.4Å
158A66.6Low70.6Confident48 Ų4891.3 Ų91.340%0.39747%0.467SS..Hα-helixtrans-59.6-35.4172.200000113.7D154 A155 V156 K162D154-A158 PolarHBondContact O-N 3.38Å; A155-A158 WeakPolarHBondContact O-CB 3.29Å; V156-A158 PolarHBondContact O-N 2.86Å; A158-K162 WeakPolarHBondContact O-CB 3.29Å; A158-K162 PolarHBondContact O-N 2.89Å
159V63.5Low70.4Confident92 Ų9290.7 Ų90.756%0.55847%0.469SS*.Hα-helixtrans-72.2-44.9-179.21790000111.8V156 R157 K162 R163V156-V159 PolarHBondContact O-N 2.91Å; R157-V159 VanDerWaalsContact C-N 3.32Å; R157-V159 PolarHBondContact O-N 3.48Å; V159-K162 PolarHBondContact O-N 2.87Å; V159-R163 PolarHBondContact O-N 3.44Å
160Q69.1Low70.3Confident120 Ų12093.6 Ų93.656%0.56148%0.479SS*.Hα-helixtrans-62.5-45.3175.4-73.7179.7-29.600110.9R157 K162 R163 Q164R157-Q160 PolarHBondContact O-N 2.9Å; Q160-K162 VanDerWaalsContact C-N 3.32Å; Q160-K162 PolarHBondContact O-N 3.43Å; Q160-R163 PolarHBondContact O-N 2.94Å; Q160-Q164 WeakPolarHBondContact O-CG 3.25Å; Q160-Q164 PolarHBondContact O-N 3.42Å
161L69.3Low70.6Confident7 Ų788.3 Ų88.34%0.03746%0.457CS..Hα-helixtrans-60.4-39.4174.8-74.7-173.4000112.2Y146 Q149 N153 R157 R163 Q164 G165Y146-L161 HydrophobicContact CD2-CD2 4.1Å; Y146-L161 HydrophobicContact CE2-CB 4.15Å; Y146-L161 HydrophobicContact CE2-CD2 4.2Å; Y146-L161 WeakPolarHBondContact CE2-O 3.2Å; Q149-L161 HydrophobicContact CB-CD1 4.12Å; Q149-L161 HydrophobicContact CB-CD2 4.32Å; N153-L161 WeakPolarHBondContact ND2-CD1 3.43Å; R157-L161 HydrophobicContact CG-CG 4.49Å; R157-L161 WeakPolarHBondContact O-CB 3.5Å; R157-L161 WeakPolarHBondContact O-CG 3.38Å; R157-L161 PolarHBondContact O-N 3.4Å; L161-R163 VanDerWaalsContact C-N 3.3Å; L161-R163 PolarHBondContact O-N 3.36Å; L161-Q164 PolarHBondContact O-N 3.03Å; L161-G165 PolarHBondContact O-N 2.65Å
162K73.5Confident70.8Confident169 Ų16984.5 Ų84.574%0.73543%0.429SS*.Hα-helixtrans-60.6-39.3178.8-171.7175.1-178176.90112.2A158 V159 Q160 L166A158-K162 WeakPolarHBondContact O-CB 3.29Å; A158-K162 PolarHBondContact O-N 2.89Å; V159-K162 PolarHBondContact O-N 2.87Å; Q160-K162 VanDerWaalsContact C-N 3.32Å; Q160-K162 PolarHBondContact O-N 3.43Å; K162-L166 PolarHBondContact O-N 3.27Å
163R70.8Confident71.1Confident196 Ų19679.6 Ų79.674%0.7441%0.41SS*.Hα-helixtrans-69.3-48.2175.2-70.5-175179.2-172.10.6111.2V159 Q160 L161 G165 L166 V167V159-R163 PolarHBondContact O-N 3.44Å; Q160-R163 PolarHBondContact O-N 2.94Å; L161-R163 VanDerWaalsContact C-N 3.3Å; L161-R163 PolarHBondContact O-N 3.36Å; R163-G165 VanDerWaalsContact C-N 3.33Å; R163-G165 PolarHBondContact O-N 3.32Å; R163-L166 PolarHBondContact O-N 2.88Å; R163-V167 PolarHBondContact O-N 2.93Å
164Q73.9Confident72.2Confident52 Ų5279 Ų7924%0.24341%0.406CS..Hα-helixtrans-62.2-39.3179.5-72179.7-30.300112.3S58 L59 Q160 L161 L166 V167 L168S58-Q164 PolarHBondContact O-NE2 3.5Å; S58-Q164 VanDerWaalsContact O-NE2 3.08Å; L59-Q164 HydrophobicContact CD2-CB 4.39Å; Q160-Q164 WeakPolarHBondContact O-CG 3.25Å; Q160-Q164 PolarHBondContact O-N 3.42Å; L161-Q164 PolarHBondContact O-N 3.03Å; Q164-L166 VanDerWaalsContact C-N 3.31Å; Q164-L166 PolarHBondContact O-N 3.04Å; Q164-V167 PolarHBondContact O-N 2.97Å; Q164-L168 VanDerWaalsContact O-CB 3.29Å; Q164-L168 WeakPolarHBondContact O-CB 3.43Å; Q164-L168 PolarHBondContact O-N 3.43Å
165G73.8Confident73.3Confident9 Ų972.9 Ų72.99%0.09337%0.373CS..Hα-helixtrans-64.8-31.9177.800000113.8Y146 L161 R163 K169Y146-G165 VanDerWaalsContact CZ-CA 3.48Å; L161-G165 PolarHBondContact O-N 2.65Å; R163-G165 VanDerWaalsContact C-N 3.33Å; R163-G165 PolarHBondContact O-N 3.32Å; G165-K169 VanDerWaalsContact O-CB 3.28Å; G165-K169 WeakPolarHBondContact O-CB 3.08Å; G165-K169 PolarHBondContact O-N 2.93Å
166L75.1Confident74.3Confident94 Ų9473.5 Ų73.549%0.49236%0.364SS..Hα-helixtrans-72-40.2175.8-170.9140.7000111.6K162 R163 Q164 R170K162-L166 PolarHBondContact O-N 3.27Å; R163-L166 PolarHBondContact O-N 2.88Å; Q164-L166 VanDerWaalsContact C-N 3.31Å; Q164-L166 PolarHBondContact O-N 3.04Å; L166-R170 VanDerWaalsContact CD2-CZ 3.42Å; L166-R170 WeakPolarHBondContact O-CG 3.28Å; L166-R170 PolarHBondContact O-N 2.78Å
167V77.2Confident75.3Confident68 Ų6869.6 Ų69.641%0.41234%0.336SS..Hα-helixtrans-64.7-49173.7178.40000110.3L55 R163 Q164 K169 R170 L171L55-V167 HydrophobicContact CD2-CG1 4.15Å; R163-V167 PolarHBondContact O-N 2.93Å; Q164-V167 PolarHBondContact O-N 2.97Å; V167-K169 PolarHBondContact O-N 3.25Å; V167-R170 WeakPolarHBondContact O-CB 3.36Å; V167-R170 PolarHBondContact O-N 2.95Å; V167-R170 VanDerWaalsContact O-N 3.16Å; V167-L171 HydrophobicContact CG1-CD1 3.85Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 PolarHBondContact O-N 3.01Å
168L79.5Confident75.9Confident3 Ų365.1 Ų65.12%0.01632%0.32CS..Hα-helixtrans-58.7-47.1179.1-176.362.7000111.4L55 L59 C142 M143 Y146 Q164 R170 L171 T172L55-L168 HydrophobicContact CD1-CD1 3.69Å; L55-L168 HydrophobicContact CD2-CD1 4.44Å; L59-L168 HydrophobicContact CD1-CD2 4.46Å; C142-L168 HydrophobicContact CB-CD1 3.77Å; M143-L168 HydrophobicContact CG-CD1 4.44Å; M143-L168 HydrophobicContact CG-CD2 4.25Å; M143-L168 HydrophobicContact CG-CG 4.33Å; M143-L168 HydrophobicContact SD-CD1 4.22Å; M143-L168 HydrophobicContact SD-CD2 3.48Å; M143-L168 WeakPolarHBondContact SD-CD2 3.14Å; M143-L168 HydrophobicContact SD-CG 3.5Å; M143-L168 VanDerWaalsContact SD-CG 3.5Å; Y146-L168 HydrophobicContact CD1-CD2 4.21Å; Y146-L168 HydrophobicContact CG-CD2 3.87Å; Q164-L168 VanDerWaalsContact O-CB 3.29Å; Q164-L168 WeakPolarHBondContact O-CB 3.43Å; Q164-L168 PolarHBondContact O-N 3.43Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 2.97Å; L168-L171 PolarHBondContact O-N 3.24Å; L168-L171 VanDerWaalsContact O-N 3.15Å; L168-T172 PolarHBondContact O-N 3.38Å; L168-T172 PolarHBondContact O-OG1 2.85Å
169K78.4Confident76.4Confident140 Ų14064.8 Ų64.861%0.60931%0.311SS*.Hα-helixtrans-59.8-38.9177.4-173.6174.8-177.5174.20112.8G165 V167 T173G165-K169 VanDerWaalsContact O-CB 3.28Å; G165-K169 WeakPolarHBondContact O-CB 3.08Å; G165-K169 PolarHBondContact O-N 2.93Å; V167-K169 PolarHBondContact O-N 3.25Å; K169-T173 PolarHBondContact O-N 3.32Å; K169-T173 VanDerWaalsContact O-N 3.17Å; K169-T173 PolarHBondContact O-OG1 3.04Å
170R80.3Confident77.1Confident82 Ų8265.7 Ų65.731%0.30931%0.311SS..Hα-helixtrans-64.5-47.6175.2-75.3175.3177.8174.14.4110.6L166 V167 L168 T173 L174 Y216 E224L166-R170 VanDerWaalsContact CD2-CZ 3.42Å; L166-R170 WeakPolarHBondContact O-CG 3.28Å; L166-R170 PolarHBondContact O-N 2.78Å; V167-R170 WeakPolarHBondContact O-CB 3.36Å; V167-R170 PolarHBondContact O-N 2.95Å; V167-R170 VanDerWaalsContact O-N 3.16Å; L168-R170 VanDerWaalsContact C-N 3.3Å; L168-R170 PolarHBondContact O-N 2.97Å; R170-T173 WeakPolarHBondContact O-CB 3.46Å; R170-T173 PolarHBondContact O-N 3.14Å; R170-L174 PolarHBondContact O-N 2.94Å; R170-Y216 PolarHBondContact O-OH 3.43Å; R170-E224 IonicContact CZ-OE1 3.24Å; R170-E224 VanDerWaalsContact CZ-OE1 3.24Å; R170-E224 IonicContact CZ-OE2 3.94Å; R170-E224 IonicContact NE-OE1 3.04Å; R170-E224 PolarHBondContact NE-OE1 3.35Å; R170-E224 IonicContact NH2-OE1 2.69Å; R170-E224 PolarHBondContact NH2-OE1 3.16Å; R170-E224 IonicContact NH2-OE2 2.85Å; R170-E224 PolarHBondContact NH2-OE2 3.24Å
171L81.1Confident77.4Confident23 Ų2360 Ų6012%0.1229%0.285CS..Hα-helixtrans-66.1-41.6179.7-71.4173000112.2L51 L55 V167 L168 T173 L174 F175L51-L171 HydrophobicContact CD1-CD2 4.09Å; L55-L171 HydrophobicContact CD1-CB 4.12Å; L55-L171 HydrophobicContact CD1-CD1 3.41Å; L55-L171 VanDerWaalsContact CD1-CD1 3.41Å; L55-L171 HydrophobicContact CD1-CG 4.4Å; L55-L171 HydrophobicContact CD2-CD1 3.92Å; L55-L171 HydrophobicContact CG-CD1 3.77Å; V167-L171 HydrophobicContact CG1-CD1 3.85Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 PolarHBondContact O-N 3.01Å; L168-L171 PolarHBondContact O-N 3.24Å; L168-L171 VanDerWaalsContact O-N 3.15Å; L171-T173 VanDerWaalsContact C-N 3.26Å; L171-T173 PolarHBondContact O-N 2.5Å; L171-L174 HydrophobicContact CD2-CD2 4.11Å; L171-L174 CarbonylContact O-C 3.54Å; L171-L174 WeakPolarHBondContact O-CA 3.43Å; L171-L174 WeakPolarHBondContact O-CB 3.42Å; L171-L174 PolarHBondContact O-N 3.42Å; L171-F175 VanDerWaalsContact C-CD2 3.47Å; L171-F175 HydrophobicContact CB-CD2 4.27Å; L171-F175 HydrophobicContact CB-CE2 3.9Å; L171-F175 WeakPolarHBondContact O-CD2 3.49Å; L171-F175 WeakPolarHBondContact O-CG 3.27Å; L171-F175 PolarHBondContact O-N 3.17Å
172T79.6Confident77.6Confident27 Ų2759.8 Ų59.817%0.16628%0.284CS..Hα-helixtrans-58-39.8172.8-51.80000111.9C139 L168 L174 F175 L176C139-T172 PolarHBondContact SG-OG1 3.17Å; L168-T172 PolarHBondContact O-N 3.38Å; L168-T172 PolarHBondContact O-OG1 2.85Å; T172-L174 VanDerWaalsContact C-N 3.35Å; T172-F175 PolarHBondContact O-N 3.48Å; T172-L176 HydrophobicContact CG2-CD1 4.35Å; T172-L176 WeakPolarHBondContact O-CB 3.42Å; T172-L176 VanDerWaalsContact O-CG 3.31Å; T172-L176 WeakPolarHBondContact O-CG 3.4Å; T172-L176 PolarHBondContact O-N 3Å
173T79.7Confident77.6Confident45 Ų4551.8 Ų51.828%0.27625%0.249SC..Hα-helixtrans-64.2-42.7175.2-48.90000110.9K169 R170 L171 Y177 Y216K169-T173 PolarHBondContact O-N 3.32Å; K169-T173 VanDerWaalsContact O-N 3.17Å; K169-T173 PolarHBondContact O-OG1 3.04Å; R170-T173 WeakPolarHBondContact O-CB 3.46Å; R170-T173 PolarHBondContact O-N 3.14Å; L171-T173 VanDerWaalsContact C-N 3.26Å; L171-T173 PolarHBondContact O-N 2.5Å; T173-Y177 WeakPolarHBondContact O-CB 3.39Å; T173-Y177 PolarHBondContact O-N 3.33Å; T173-Y216 HydrophobicContact CG2-CD2 4.41Å; T173-Y216 HydrophobicContact CG2-CE2 3.94Å
174L81.1Confident77.7Confident34 Ų3447.4 Ų47.418%0.17824%0.238CC..Hα-helixtrans-61.5-47.7175.3177.165000111.5M48 R170 L171 T172 L176 Y177 T178 Y216M48-L174 HydrophobicContact CE-CD1 4.06Å; M48-L174 HydrophobicContact CE-CD2 3.76Å; M48-L174 HydrophobicContact CE-CG 3.74Å; M48-L174 HydrophobicContact SD-CD2 4.14Å; M48-L174 HydrophobicContact SD-CG 4.23Å; R170-L174 PolarHBondContact O-N 2.94Å; L171-L174 HydrophobicContact CD2-CD2 4.11Å; L171-L174 CarbonylContact O-C 3.54Å; L171-L174 WeakPolarHBondContact O-CA 3.43Å; L171-L174 WeakPolarHBondContact O-CB 3.42Å; L171-L174 PolarHBondContact O-N 3.42Å; T172-L174 VanDerWaalsContact C-N 3.35Å; L174-L176 PolarHBondContact O-N 3.18Å; L174-Y177 CarbonylContact O-C 3.35Å; L174-Y177 WeakPolarHBondContact O-CA 3.25Å; L174-Y177 VanDerWaalsContact O-CB 3.28Å; L174-Y177 WeakPolarHBondContact O-CB 3.43Å; L174-Y177 PolarHBondContact O-N 3.17Å; L174-Y177 VanDerWaalsContact O-N 3.09Å; L174-T178 PolarHBondContact O-N 3.32Å; L174-T178 PolarHBondContact O-OG1 3.44Å; L174-T178 VanDerWaalsContact O-OG1 3.09Å; L174-Y216 HydrophobicContact CB-CE1 4.12Å; L174-Y216 HydrophobicContact CB-CE2 4.18Å; L174-Y216 HydrophobicContact CD1-CD1 3.63Å; L174-Y216 HydrophobicContact CD1-CE1 3.48Å; L174-Y216 VanDerWaalsContact CD1-CE1 3.48Å; L174-Y216 HydrophobicContact CD1-CG 4.28Å; L174-Y216 HydrophobicContact CG-CE1 4.28Å
175F81.2Confident77.6Confident10 Ų1045.9 Ų45.94%0.04423%0.233CC..Hα-helixtrans-62-43178.8-71.4-62.4000112.5M48 L51 S52 A135 C139 L171 T172 Y177 T178 L179M48-F175 HydrophobicContact CB-CD1 4.25Å; M48-F175 HydrophobicContact CB-CE1 3.65Å; M48-F175 HydrophobicContact CG-CD1 4.29Å; M48-F175 HydrophobicContact CG-CE1 4.01Å; M48-F175 WeakPolarHBondContact O-CE1 3.48Å; M48-F175 WeakPolarHBondContact O-CZ 3.16Å; M48-F175 HydrophobicContact SD-CD1 3.54Å; M48-F175 VanDerWaalsContact SD-CD1 3.54Å; M48-F175 HydrophobicContact SD-CE1 3.38Å; M48-F175 WeakPolarHBondContact SD-CE1 3.39Å; M48-F175 HydrophobicContact SD-CZ 4.26Å; L51-F175 HydrophobicContact CB-CZ 4.41Å; S52-F175 WeakPolarHBondContact OG-CE2 3.49Å; S52-F175 WeakPolarHBondContact OG-CZ 3.24Å; A135-F175 HydrophobicContact CB-CE1 4.29Å; C139-F175 HydrophobicContact CB-CD2 3.69Å; C139-F175 HydrophobicContact CB-CE2 3.79Å; C139-F175 HydrophobicContact CB-CG 4.39Å; C139-F175 WeakPolarHBondContact SG-CD2 3.17Å; L171-F175 VanDerWaalsContact C-CD2 3.47Å; L171-F175 HydrophobicContact CB-CD2 4.27Å; L171-F175 HydrophobicContact CB-CE2 3.9Å; L171-F175 WeakPolarHBondContact O-CD2 3.49Å; L171-F175 WeakPolarHBondContact O-CG 3.27Å; L171-F175 PolarHBondContact O-N 3.17Å; T172-F175 PolarHBondContact O-N 3.48Å; F175-Y177 PolarHBondContact O-N 3.26Å; F175-T178 PolarHBondContact O-N 3.45Å; F175-L179 WeakPolarHBondContact O-CB 3.38Å; F175-L179 VanDerWaalsContact O-CG 3.3Å; F175-L179 WeakPolarHBondContact O-CG 3.28Å; F175-L179 PolarHBondContact O-N 3.14Å
176L81.5Confident77.3Confident99 Ų9945.8 Ų45.852%0.51823%0.23SC..Hα-helixtrans-59.4-41.1173.6-73.5170.7000111T172 L174 L179 I180T172-L176 HydrophobicContact CG2-CD1 4.35Å; T172-L176 WeakPolarHBondContact O-CB 3.42Å; T172-L176 VanDerWaalsContact O-CG 3.31Å; T172-L176 WeakPolarHBondContact O-CG 3.4Å; T172-L176 PolarHBondContact O-N 3Å; L174-L176 PolarHBondContact O-N 3.18Å; L176-L179 PolarHBondContact O-N 3.38Å; L176-I180 WeakPolarHBondContact O-CD1 3.36Å; L176-I180 VanDerWaalsContact O-CG1 3.26Å; L176-I180 WeakPolarHBondContact O-CG1 3.36Å; L176-I180 PolarHBondContact O-N 3.17Å; L176-I180 VanDerWaalsContact O-N 3.1Å
177Y79.8Confident77.2Confident44 Ų4443.9 Ų43.917%0.17322%0.22CC..Hα-helixtrans-63.6-48.2176.4-157.1-99.4000111.9T173 L174 F175 L179 I180 V181 L212 T215 Y216T173-Y177 WeakPolarHBondContact O-CB 3.39Å; T173-Y177 PolarHBondContact O-N 3.33Å; L174-Y177 CarbonylContact O-C 3.35Å; L174-Y177 WeakPolarHBondContact O-CA 3.25Å; L174-Y177 VanDerWaalsContact O-CB 3.28Å; L174-Y177 WeakPolarHBondContact O-CB 3.43Å; L174-Y177 PolarHBondContact O-N 3.17Å; L174-Y177 VanDerWaalsContact O-N 3.09Å; F175-Y177 PolarHBondContact O-N 3.26Å; Y177-L179 VanDerWaalsContact C-N 3.35Å; Y177-L179 PolarHBondContact O-N 2.97Å; Y177-I180 PolarHBondContact O-N 3.41Å; Y177-V181 HydrophobicContact CD1-CB 4.35Å; Y177-V181 HydrophobicContact CD1-CG2 3.89Å; Y177-V181 HydrophobicContact CD2-CG2 4.4Å; Y177-V181 HydrophobicContact CE1-CB 4.14Å; Y177-V181 HydrophobicContact CE1-CG1 4.34Å; Y177-V181 HydrophobicContact CE1-CG2 3.51Å; Y177-V181 HydrophobicContact CE2-CG2 4.03Å; Y177-V181 HydrophobicContact CG-CG2 4.31Å; Y177-V181 VanDerWaalsContact O-CB 3.26Å; Y177-V181 WeakPolarHBondContact O-CB 3.29Å; Y177-V181 VanDerWaalsContact O-CG2 3.32Å; Y177-V181 WeakPolarHBondContact O-CG2 3.42Å; Y177-V181 PolarHBondContact O-N 3.15Å; Y177-L212 VanDerWaalsContact CE1-O 3.29Å; Y177-L212 WeakPolarHBondContact CE1-O 3.36Å; Y177-L212 VanDerWaalsContact CZ-O 3.23Å; Y177-L212 VanDerWaalsContact OH-CA 3.31Å; Y177-L212 WeakPolarHBondContact OH-CA 3.41Å; Y177-L212 WeakPolarHBondContact OH-CB 3.18Å; Y177-L212 PolarHBondContact OH-O 3.43Å; Y177-T215 VanDerWaalsContact CZ-OG1 3.28Å; Y177-T215 PolarHBondContact OH-OG1 3.08Å; Y177-Y216 HydrophobicContact CD1-CG 4.42Å; Y177-Y216 HydrophobicContact CG-CD2 4.45Å; Y177-Y216 HydrophobicContact CG-CG 4.41Å
178T78.1Confident77Confident6 Ų643.9 Ų43.94%0.03722%0.22CC..Hα-helixtrans-62.1-39.7177.1-58.10000112.1M48 L174 F175 I180 Q182 T183M48-T178 HydrophobicContact CE-CG2 4.25Å; M48-T178 VanDerWaalsContact CE-OG1 3.27Å; M48-T178 WeakPolarHBondContact CE-OG1 3.39Å; M48-T178 HydrophobicContact CG-CG2 4.39Å; L174-T178 PolarHBondContact O-N 3.32Å; L174-T178 PolarHBondContact O-OG1 3.44Å; L174-T178 VanDerWaalsContact O-OG1 3.09Å; F175-T178 PolarHBondContact O-N 3.45Å; T178-I180 PolarHBondContact O-N 3.29Å; T178-Q182 HydrophobicContact CG2-CB 4.12Å; T178-Q182 VanDerWaalsContact CG2-OE1 3.25Å; T178-Q182 WeakPolarHBondContact O-CA 3.35Å; T178-Q182 WeakPolarHBondContact O-CB 3.36Å; T178-Q182 PolarHBondContact O-N 3.24Å; T178-T183 PolarHBondContact O-N 3.1Å; T178-T183 VanDerWaalsContact O-N 3.1Å
179L77.7Confident76.5Confident41 Ų4143.9 Ų43.922%0.21522%0.22CC..Iπ-helixtrans-61.2-45.3175.2-76.8169.9000111.6L133 A136 F175 L176 Y177 T183 M184L133-L179 HydrophobicContact CD2-CD2 4.13Å; A136-L179 HydrophobicContact CB-CD1 3.9Å; A136-L179 HydrophobicContact CB-CD2 4.24Å; A136-L179 HydrophobicContact CB-CG 4.42Å; F175-L179 WeakPolarHBondContact O-CB 3.38Å; F175-L179 VanDerWaalsContact O-CG 3.3Å; F175-L179 WeakPolarHBondContact O-CG 3.28Å; F175-L179 PolarHBondContact O-N 3.14Å; L176-L179 PolarHBondContact O-N 3.38Å; Y177-L179 VanDerWaalsContact C-N 3.35Å; Y177-L179 PolarHBondContact O-N 2.97Å; L179-T183 HydrophobicContact CD2-CG2 4.29Å; L179-T183 WeakPolarHBondContact O-CB 3.45Å; L179-T183 PolarHBondContact O-N 3.22Å; L179-M184 WeakPolarHBondContact O-CG 3.08Å; L179-M184 PolarHBondContact O-N 3.45Å
180I78.2Confident76Confident110 Ų11037.9 Ų37.956%0.56420%0.195SC*.Iπ-helixtrans-72.7-42.5-178.5-66166.1000111.5L176 Y177 T178 P185L176-I180 WeakPolarHBondContact O-CD1 3.36Å; L176-I180 VanDerWaalsContact O-CG1 3.26Å; L176-I180 WeakPolarHBondContact O-CG1 3.36Å; L176-I180 PolarHBondContact O-N 3.17Å; L176-I180 VanDerWaalsContact O-N 3.1Å; Y177-I180 PolarHBondContact O-N 3.41Å; T178-I180 PolarHBondContact O-N 3.29Å; I180-P185 WeakPolarHBondContact O-CD 3.28Å
181V75.4Confident75.6Confident1 Ų138.1 Ų38.11%0.00621%0.208CC..Iπ-helixtrans-91.9-26.9-169.6176.80000113.1Y177 P185 Q209 L212 Y213Y177-V181 HydrophobicContact CD1-CB 4.35Å; Y177-V181 HydrophobicContact CD1-CG2 3.89Å; Y177-V181 HydrophobicContact CD2-CG2 4.4Å; Y177-V181 HydrophobicContact CE1-CB 4.14Å; Y177-V181 HydrophobicContact CE1-CG1 4.34Å; Y177-V181 HydrophobicContact CE1-CG2 3.51Å; Y177-V181 HydrophobicContact CE2-CG2 4.03Å; Y177-V181 HydrophobicContact CG-CG2 4.31Å; Y177-V181 VanDerWaalsContact O-CB 3.26Å; Y177-V181 WeakPolarHBondContact O-CB 3.29Å; Y177-V181 VanDerWaalsContact O-CG2 3.32Å; Y177-V181 WeakPolarHBondContact O-CG2 3.42Å; Y177-V181 PolarHBondContact O-N 3.15Å; V181-P185 VanDerWaalsContact O-CG 3.31Å; V181-P185 WeakPolarHBondContact O-CG 3.1Å; V181-Q209 HydrophobicContact CG1-CB 4.45Å; V181-Q209 VanDerWaalsContact O-CG 3.27Å; V181-Q209 WeakPolarHBondContact O-CG 3.45Å; V181-L212 HydrophobicContact CB-CB 4.32Å; V181-L212 HydrophobicContact CG1-CB 3.56Å; V181-L212 HydrophobicContact CG1-CD1 4.5Å; V181-L212 HydrophobicContact CG2-CB 3.74Å; V181-L212 HydrophobicContact CG2-CD1 4.11Å; V181-L212 HydrophobicContact CG2-CG 4.42Å; V181-Y213 HydrophobicContact CG1-CD2 4.14Å; V181-Y213 HydrophobicContact CG1-CE2 4.24Å; V181-Y213 HydrophobicContact CG1-CG 4.27Å
182Q73.9Confident75.1Confident2 Ų238.7 Ų38.71%0.00921%0.211CC..Iπ-helixtrans-110.7-59.4180-166.6178.55.300110.4T178 M184 L186 Y213T178-Q182 HydrophobicContact CG2-CB 4.12Å; T178-Q182 VanDerWaalsContact CG2-OE1 3.25Å; T178-Q182 WeakPolarHBondContact O-CA 3.35Å; T178-Q182 WeakPolarHBondContact O-CB 3.36Å; T178-Q182 PolarHBondContact O-N 3.24Å; Q182-M184 PolarHBondContact O-N 3.03Å; Q182-L186 HydrophobicContact CG-CD1 3.92Å; Q182-L186 WeakPolarHBondContact O-CB 3.19Å; Q182-L186 VanDerWaalsContact O-CG 3.23Å; Q182-L186 WeakPolarHBondContact O-CG 3.49Å; Q182-L186 PolarHBondContact O-N 3Å; Q182-Y213 VanDerWaalsContact CB-OH 3.27Å; Q182-Y213 WeakPolarHBondContact CB-OH 3.35Å; Q182-Y213 WeakPolarHBondContact CG-OH 3.36Å; Q182-Y213 PolarHBondContact OE1-OH 2.87Å
183T73.2Confident74.5Confident1 Ų139.8 Ų39.81%0.00621%0.213CC..Iπ-helixtrans-68.2-41.8-168.7-50.50000112.5A129 T132 L133 T178 L179 L186 L187A129-T183 HydrophobicContact CB-CG2 4.35Å; T132-T183 PolarHBondContact OG1-OG1 3.45Å; L133-T183 HydrophobicContact CG-CG2 4.49Å; T178-T183 PolarHBondContact O-N 3.1Å; T178-T183 VanDerWaalsContact O-N 3.1Å; L179-T183 HydrophobicContact CD2-CG2 4.29Å; L179-T183 WeakPolarHBondContact O-CB 3.45Å; L179-T183 PolarHBondContact O-N 3.22Å; T183-L186 PolarHBondContact O-N 3.47Å; T183-L187 HydrophobicContact CG2-CD1 4.1Å; T183-L187 HydrophobicContact CG2-CG 4.43Å; T183-L187 WeakPolarHBondContact O-CB 3.25Å; T183-L187 VanDerWaalsContact O-CG 3.29Å; T183-L187 WeakPolarHBondContact O-CG 3.45Å; T183-L187 PolarHBondContact O-N 3.3Å
184M73.6Confident74Confident104 Ų10441.5 Ų41.551%0.51223%0.232SC..Hα-helixtrans-62.7-52.7177.1-76-71.3132.500112.1L179 Q182 L186 L187 V188L179-M184 WeakPolarHBondContact O-CG 3.08Å; L179-M184 PolarHBondContact O-N 3.45Å; Q182-M184 PolarHBondContact O-N 3.03Å; M184-L186 VanDerWaalsContact C-N 3.34Å; M184-L186 PolarHBondContact O-N 3.13Å; M184-L187 HydrophobicContact CE-CD1 4.08Å; M184-L187 PolarHBondContact O-N 2.93Å; M184-V188 WeakPolarHBondContact O-CG2 3.48Å; M184-V188 PolarHBondContact O-N 3.43Å
185P70.8Confident73.6Confident20 Ų2043.5 Ų43.513%0.1325%0.249CC..Hα-helixtrans-48.1-48.3168.5-42.246.8000115.2I180 V181 L187 V188 V189 V205 Q209I180-P185 WeakPolarHBondContact O-CD 3.28Å; V181-P185 VanDerWaalsContact O-CG 3.31Å; V181-P185 WeakPolarHBondContact O-CG 3.1Å; P185-L187 PolarHBondContact O-N 3.44Å; P185-V188 PolarHBondContact O-N 3.05Å; P185-V189 WeakPolarHBondContact O-CB 3.35Å; P185-V189 WeakPolarHBondContact O-CG2 3.45Å; P185-V189 PolarHBondContact O-N 3.32Å; P185-V205 HydrophobicContact CB-CG1 3.4Å; P185-V205 VanDerWaalsContact CB-CG1 3.4Å; P185-V205 HydrophobicContact CG-CG1 4.16Å; P185-Q209 HydrophobicContact CB-CG 4.08Å; P185-Q209 HydrophobicContact CG-CG 4.19Å
186L68.8Low72.9Confident7 Ų746.2 Ų46.24%0.03728%0.28CS..Hα-helixtrans-63.1-41.5179-71.7177.9000112.2Y125 Q182 T183 M184 V189 T190Y125-L186 HydrophobicContact CD1-CD1 4.43Å; Y125-L186 HydrophobicContact CD1-CD2 3.35Å; Y125-L186 HydrophobicContact CD1-CG 4.44Å; Y125-L186 HydrophobicContact CD2-CD2 4.13Å; Y125-L186 HydrophobicContact CE1-CD2 3.62Å; Y125-L186 HydrophobicContact CE2-CD2 4.35Å; Y125-L186 HydrophobicContact CG-CD2 3.66Å; Q182-L186 HydrophobicContact CG-CD1 3.92Å; Q182-L186 WeakPolarHBondContact O-CB 3.19Å; Q182-L186 VanDerWaalsContact O-CG 3.23Å; Q182-L186 WeakPolarHBondContact O-CG 3.49Å; Q182-L186 PolarHBondContact O-N 3Å; T183-L186 PolarHBondContact O-N 3.47Å; M184-L186 VanDerWaalsContact C-N 3.34Å; M184-L186 PolarHBondContact O-N 3.13Å; L186-V189 PolarHBondContact O-N 3.04Å; L186-T190 WeakPolarHBondContact O-CB 3.31Å; L186-T190 PolarHBondContact O-N 3.28Å; L186-T190 PolarHBondContact O-OG1 3.33Å
187L72.3Confident71.8Confident54 Ų5447.1 Ų47.128%0.28328%0.281SS..Hα-helixtrans-65-44.3175.5-72.9171000111.5A129 T183 M184 P185 T190 C191A129-L187 HydrophobicContact CB-CD2 4.48Å; T183-L187 HydrophobicContact CG2-CD1 4.1Å; T183-L187 HydrophobicContact CG2-CG 4.43Å; T183-L187 WeakPolarHBondContact O-CB 3.25Å; T183-L187 VanDerWaalsContact O-CG 3.29Å; T183-L187 WeakPolarHBondContact O-CG 3.45Å; T183-L187 PolarHBondContact O-N 3.3Å; M184-L187 HydrophobicContact CE-CD1 4.08Å; M184-L187 PolarHBondContact O-N 2.93Å; P185-L187 PolarHBondContact O-N 3.44Å; L187-T190 PolarHBondContact O-N 3.26Å; L187-C191 WeakPolarHBondContact O-CB 3.26Å; L187-C191 PolarHBondContact O-N 2.89Å; L187-C191 PolarHBondContact O-SG 3.12Å
188V72.6Confident70.7Confident69 Ų6951.5 Ų51.542%0.41831%0.308SS..Hα-helixtrans-60.6-47.3176.4170.70000110.5M184 P185 T190 C191 L192M184-V188 WeakPolarHBondContact O-CG2 3.48Å; M184-V188 PolarHBondContact O-N 3.43Å; P185-V188 PolarHBondContact O-N 3.05Å; V188-T190 VanDerWaalsContact C-N 3.32Å; V188-T190 PolarHBondContact O-N 3.45Å; V188-C191 PolarHBondContact O-N 3.46Å; V188-L192 HydrophobicContact CG1-CD1 3.88Å; V188-L192 HydrophobicContact CG1-CG 4.3Å; V188-L192 VanDerWaalsContact O-CG 3.29Å; V188-L192 WeakPolarHBondContact O-CG 3.35Å; V188-L192 PolarHBondContact O-N 2.65Å
189V69.7Low69.8Low3 Ų355.5 Ų55.52%0.01834%0.336CS..Hα-helixtrans-56.6-46.9175.4161.90000111.1Y125 P185 L186 C191 L192 Y193 L202 V205Y125-V189 HydrophobicContact CD2-CG1 4.27Å; Y125-V189 HydrophobicContact CE2-CG1 4.18Å; P185-V189 WeakPolarHBondContact O-CB 3.35Å; P185-V189 WeakPolarHBondContact O-CG2 3.45Å; P185-V189 PolarHBondContact O-N 3.32Å; L186-V189 PolarHBondContact O-N 3.04Å; V189-C191 VanDerWaalsContact C-N 3.33Å; V189-C191 PolarHBondContact O-N 3.07Å; V189-L192 PolarHBondContact O-N 3.07Å; V189-Y193 HydrophobicContact CG1-CD2 3.6Å; V189-Y193 HydrophobicContact CG1-CE2 3.6Å; V189-Y193 VanDerWaalsContact O-CD2 3.28Å; V189-Y193 WeakPolarHBondContact O-CD2 3.06Å; V189-Y193 PolarHBondContact O-N 3.41Å; V189-L202 HydrophobicContact CB-CD1 4.13Å; V189-L202 HydrophobicContact CG1-CD1 3.51Å; V189-L202 HydrophobicContact CG2-CD1 3.77Å; V189-L202 HydrophobicContact CG2-CG 4.42Å; V189-V205 HydrophobicContact CG2-CB 4.37Å; V189-V205 HydrophobicContact CG2-CG1 3.92Å
190T68Low69.1Low14 Ų1457.4 Ų57.49%0.08635%0.351CS..Hα-helixtrans-63.2-41179.5-52.70000111.3L122 M126 L186 L187 V188 A194L122-T190 HydrophobicContact CD1-CG2 3.68Å; L122-T190 HydrophobicContact CG-CG2 4.16Å; M126-T190 HydrophobicContact CG-CG2 4.13Å; M126-T190 HydrophobicContact SD-CG2 3.96Å; L186-T190 WeakPolarHBondContact O-CB 3.31Å; L186-T190 PolarHBondContact O-N 3.28Å; L186-T190 PolarHBondContact O-OG1 3.33Å; L187-T190 PolarHBondContact O-N 3.26Å; V188-T190 VanDerWaalsContact C-N 3.32Å; V188-T190 PolarHBondContact O-N 3.45Å; T190-A194 WeakPolarHBondContact O-CB 3.13Å; T190-A194 PolarHBondContact O-N 3.43Å
191C71.3Confident68.4Low86 Ų8657 Ų5758%0.58135%0.346SS*.Hα-helixtrans-64.5-42.1175.1-70.20000112.4L187 V188 V189 A194 S195L187-C191 WeakPolarHBondContact O-CB 3.26Å; L187-C191 PolarHBondContact O-N 2.89Å; L187-C191 PolarHBondContact O-SG 3.12Å; V188-C191 PolarHBondContact O-N 3.46Å; V189-C191 VanDerWaalsContact C-N 3.33Å; V189-C191 PolarHBondContact O-N 3.07Å; C191-A194 PolarHBondContact O-N 3.38Å; C191-S195 PolarHBondContact O-N 3.03Å; C191-S195 PolarHBondContact O-OG 3.37Å
192L69.6Low67.8Low35 Ų3558.2 Ų58.218%0.18335%0.352CS..Hα-helixtrans-65.4-41.6178.1-71.3171.8000112V188 V189 A194 S195 G196 E197 H201V188-L192 HydrophobicContact CG1-CD1 3.88Å; V188-L192 HydrophobicContact CG1-CG 4.3Å; V188-L192 VanDerWaalsContact O-CG 3.29Å; V188-L192 WeakPolarHBondContact O-CG 3.35Å; V188-L192 PolarHBondContact O-N 2.65Å; V189-L192 PolarHBondContact O-N 3.07Å; L192-A194 VanDerWaalsContact C-N 3.35Å; L192-S195 WeakPolarHBondContact CA-OG 3.47Å; L192-S195 PolarHBondContact O-N 2.9Å; L192-S195 PolarHBondContact O-OG 3.39Å; L192-G196 PolarHBondContact O-N 2.94Å; L192-E197 HydrophobicContact CD2-CB 4.38Å; L192-E197 PolarHBondContact O-N 3.13Å; L192-H201 HydrophobicContact CD1-CB 3.96Å
193Y67.3Low67.5Low50 Ų5062.3 Ų62.320%0.19638%0.377CS..Hα-helixtrans-61.9-43.8172-86.4-63.4000111.4E118 V189 S195 G196 L202E118-Y193 HydrophobicContact CB-CD1 4.21Å; E118-Y193 HydrophobicContact CB-CE1 4.38Å; E118-Y193 HydrophobicContact CG-CD1 3.89Å; E118-Y193 HydrophobicContact CG-CE1 3.71Å; V189-Y193 HydrophobicContact CG1-CD2 3.6Å; V189-Y193 HydrophobicContact CG1-CE2 3.6Å; V189-Y193 VanDerWaalsContact O-CD2 3.28Å; V189-Y193 WeakPolarHBondContact O-CD2 3.06Å; V189-Y193 PolarHBondContact O-N 3.41Å; Y193-S195 VanDerWaalsContact C-N 3.25Å; Y193-S195 PolarHBondContact O-N 3.38Å; Y193-G196 PolarHBondContact O-N 3.49Å; Y193-L202 HydrophobicContact CD2-CD1 4.19Å; Y193-L202 HydrophobicContact CE2-CD1 3.43Å; Y193-L202 VanDerWaalsContact CE2-CD1 3.43Å; Y193-L202 HydrophobicContact CE2-CD2 4.35Å; Y193-L202 WeakPolarHBondContact OH-CD2 3.33Å
194A69.6Low67.2Low81 Ų8166.9 Ų66.967%0.66941%0.405SS*.Hα-helixtrans-65.9-26.1177.900000113.4T190 C191 L192T190-A194 WeakPolarHBondContact O-CB 3.13Å; T190-A194 PolarHBondContact O-N 3.43Å; C191-A194 PolarHBondContact O-N 3.38Å; L192-A194 VanDerWaalsContact C-N 3.35Å
195S73.9Confident66.9Low77 Ų7763.2 Ų63.254%0.53839%0.388SS..Hα-helixtrans-87.2-7.1175.559.40000114.2C191 L192 Y193 E197C191-S195 PolarHBondContact O-N 3.03Å; C191-S195 PolarHBondContact O-OG 3.37Å; L192-S195 WeakPolarHBondContact CA-OG 3.47Å; L192-S195 PolarHBondContact O-N 2.9Å; L192-S195 PolarHBondContact O-OG 3.39Å; Y193-S195 VanDerWaalsContact C-N 3.25Å; Y193-S195 PolarHBondContact O-N 3.38Å; S195-E197 VanDerWaalsContact C-N 3.35Å
196G66Low66.7Low67 Ų6764.3 Ų64.369%0.69139%0.39SS*.THydrogen-bonded Turntrans69.828.8-179.400000113.8L192 Y193L192-G196 PolarHBondContact O-N 2.94Å; Y193-G196 PolarHBondContact O-N 3.49Å
197E58Low66.7Low118 Ų11868.5 Ų68.555%0.55141%0.412SS*.  trans-91.6137.7-177.6-154.6163.9-171.900111.2L192 S195L192-E197 HydrophobicContact CD2-CB 4.38Å; L192-E197 PolarHBondContact O-N 3.13Å; S195-E197 VanDerWaalsContact C-N 3.35Å
198D56.3Low66.7Low136 Ų13667.9 Ų67.973%0.72741%0.414SS*.  trans-63.7163.3-169-78.9-41.4000115.2P200D198-P200 VanDerWaalsContact O-CD 3.28Å; D198-P200 WeakPolarHBondContact O-CD 3.38Å
199S60.1Low66.7Low90 Ų9064.8 Ų64.863%0.62940%0.395SS*.THydrogen-bonded Turntrans-64.8-21-161.748.30000121.5H201 L202S199-H201 VanDerWaalsContact C-N 3.29Å; S199-H201 PolarHBondContact O-N 3.13Å; S199-L202 VanDerWaalsContact O-CB 3.25Å; S199-L202 WeakPolarHBondContact O-CB 3.45Å; S199-L202 PolarHBondContact O-N 3.26Å; S199-L202 VanDerWaalsContact O-N 3.13Å
200P62Low66.7Low81 Ų8167.8 Ų67.853%0.52641%0.411SS..Hα-helixtrans-66.5-30.3-172.324-33.8000113.4D198 L202 V203 V204D198-P200 VanDerWaalsContact O-CD 3.28Å; D198-P200 WeakPolarHBondContact O-CD 3.38Å; P200-L202 PolarHBondContact O-N 3.35Å; P200-V203 PolarHBondContact O-N 3.09Å; P200-V204 PolarHBondContact O-N 3.33Å
201H63.6Low67Low100 Ų10072.9 Ų72.946%0.46344%0.436SS..Hα-helixtrans-63.1-32.7177.5-64.9-63000112.1L192 S199 V203 V204 V205L192-H201 HydrophobicContact CD1-CB 3.96Å; S199-H201 VanDerWaalsContact C-N 3.29Å; S199-H201 PolarHBondContact O-N 3.13Å; H201-V203 PolarHBondContact O-N 3.2Å; H201-V204 PolarHBondContact O-N 3.43Å; H201-V205 VanDerWaalsContact O-CG2 3.27Å; H201-V205 WeakPolarHBondContact O-CG2 3.32Å; H201-V205 PolarHBondContact O-N 3.4Å; H201-V205 VanDerWaalsContact O-N 3.1Å
202L64.2Low67.2Low27 Ų2772.1 Ų72.114%0.14143%0.426CS..Hα-helixtrans-60.5-48.5179.3-152.790.7000111.4V189 Y193 S199 P200 V204 V205 W206V189-L202 HydrophobicContact CB-CD1 4.13Å; V189-L202 HydrophobicContact CG1-CD1 3.51Å; V189-L202 HydrophobicContact CG2-CD1 3.77Å; V189-L202 HydrophobicContact CG2-CG 4.42Å; Y193-L202 HydrophobicContact CD2-CD1 4.19Å; Y193-L202 HydrophobicContact CE2-CD1 3.43Å; Y193-L202 VanDerWaalsContact CE2-CD1 3.43Å; Y193-L202 HydrophobicContact CE2-CD2 4.35Å; Y193-L202 WeakPolarHBondContact OH-CD2 3.33Å; S199-L202 VanDerWaalsContact O-CB 3.25Å; S199-L202 WeakPolarHBondContact O-CB 3.45Å; S199-L202 PolarHBondContact O-N 3.26Å; S199-L202 VanDerWaalsContact O-N 3.13Å; P200-L202 PolarHBondContact O-N 3.35Å; L202-V204 VanDerWaalsContact C-N 3.34Å; L202-V204 PolarHBondContact O-N 3.33Å; L202-V205 WeakPolarHBondContact O-CB 3.34Å; L202-V205 PolarHBondContact O-N 3.38Å; L202-W206 PolarHBondContact O-N 2.97Å
203V65.9Low67.3Low88 Ų8872.9 Ų72.953%0.53343%0.427SS..Hα-helixtrans-63.4-41.6-177.9178.90000111P200 H201 V205 W206 L207P200-V203 PolarHBondContact O-N 3.09Å; H201-V203 PolarHBondContact O-N 3.2Å; V203-V205 VanDerWaalsContact C-N 3.32Å; V203-V205 PolarHBondContact O-N 3.38Å; V203-W206 PolarHBondContact O-N 3.22Å; V203-L207 HydrophobicContact CG1-CD1 4.02Å; V203-L207 HydrophobicContact CG1-CG 4.33Å; V203-L207 WeakPolarHBondContact O-CG 3.2Å; V203-L207 PolarHBondContact O-N 2.95Å
204V67.1Low67.7Low98 Ų9873.5 Ų73.559%0.59444%0.437SS*.Hα-helixtrans-61.3-44.4177.6175.60000110.8P200 H201 L202 W206 L207 A208P200-V204 PolarHBondContact O-N 3.33Å; H201-V204 PolarHBondContact O-N 3.43Å; L202-V204 VanDerWaalsContact C-N 3.34Å; L202-V204 PolarHBondContact O-N 3.33Å; V204-W206 VanDerWaalsContact C-N 3.34Å; V204-W206 PolarHBondContact O-N 2.74Å; V204-L207 PolarHBondContact O-N 3.32Å; V204-A208 WeakPolarHBondContact O-CB 3.19Å; V204-A208 PolarHBondContact O-N 3.17Å
205V68.7Low68.2Low26 Ų2672.4 Ų72.416%0.15842%0.422CS..Hα-helixtrans-60.7-45.8177.5172.90000110.4P185 V189 H201 L202 V203 A208 Q209P185-V205 HydrophobicContact CB-CG1 3.4Å; P185-V205 VanDerWaalsContact CB-CG1 3.4Å; P185-V205 HydrophobicContact CG-CG1 4.16Å; V189-V205 HydrophobicContact CG2-CB 4.37Å; V189-V205 HydrophobicContact CG2-CG1 3.92Å; H201-V205 VanDerWaalsContact O-CG2 3.27Å; H201-V205 WeakPolarHBondContact O-CG2 3.32Å; H201-V205 PolarHBondContact O-N 3.4Å; H201-V205 VanDerWaalsContact O-N 3.1Å; L202-V205 WeakPolarHBondContact O-CB 3.34Å; L202-V205 PolarHBondContact O-N 3.38Å; V203-V205 VanDerWaalsContact C-N 3.32Å; V203-V205 PolarHBondContact O-N 3.38Å; V205-A208 WeakPolarHBondContact O-CB 3.45Å; V205-A208 PolarHBondContact O-N 3.04Å; V205-Q209 WeakPolarHBondContact O-CG 3.32Å; V205-Q209 PolarHBondContact O-N 3.48Å; V205-Q209 VanDerWaalsContact O-N 3.15Å
206W65.3Low68.4Low44 Ų4470.5 Ų70.517%0.16740%0.403CS..Hα-helixtrans-60.1-47.9175.8-85.6104.6000113.3M1 Y125 L202 V203 V204 A208 Q209 I210M1-W206 HydrophobicContact CE-CZ3 4.07Å; Y125-W206 WeakPolarHBondContact OH-CZ2 3.31Å; L202-W206 PolarHBondContact O-N 2.97Å; V203-W206 PolarHBondContact O-N 3.22Å; V204-W206 VanDerWaalsContact C-N 3.34Å; V204-W206 PolarHBondContact O-N 2.74Å; W206-A208 VanDerWaalsContact C-N 3.29Å; W206-A208 PolarHBondContact O-N 3.36Å; W206-Q209 WeakPolarHBondContact O-CB 3.47Å; W206-Q209 PolarHBondContact O-N 3.27Å; W206-Q209 VanDerWaalsContact O-N 3.14Å; W206-I210 WeakPolarHBondContact O-CG1 3.27Å; W206-I210 PolarHBondContact O-N 2.88Å
207L69.9Low68.9Low94 Ų9470.1 Ų70.149%0.49239%0.388SS..Hα-helixtrans-61.5-38.9178-71.9173.4000111.9V203 V204 Q209 I210 I211V203-L207 HydrophobicContact CG1-CD1 4.02Å; V203-L207 HydrophobicContact CG1-CG 4.33Å; V203-L207 WeakPolarHBondContact O-CG 3.2Å; V203-L207 PolarHBondContact O-N 2.95Å; V204-L207 PolarHBondContact O-N 3.32Å; L207-Q209 VanDerWaalsContact C-N 3.32Å; L207-Q209 PolarHBondContact O-N 3.35Å; L207-I210 HydrophobicContact CD2-CD1 4.45Å; L207-I210 PolarHBondContact O-N 3.36Å; L207-I211 WeakPolarHBondContact O-CG1 3.49Å; L207-I211 PolarHBondContact O-N 2.81Å; L207-I211 VanDerWaalsContact O-N 3.13Å
208A71.7Confident70Confident41 Ų4169.6 Ų69.634%0.33939%0.389SS..Hα-helixtrans-60.4-42.5175.300000111.2V204 V205 W206 I210 I211 L212V204-A208 WeakPolarHBondContact O-CB 3.19Å; V204-A208 PolarHBondContact O-N 3.17Å; V205-A208 WeakPolarHBondContact O-CB 3.45Å; V205-A208 PolarHBondContact O-N 3.04Å; W206-A208 VanDerWaalsContact C-N 3.29Å; W206-A208 PolarHBondContact O-N 3.36Å; A208-I210 VanDerWaalsContact C-N 3.34Å; A208-I210 PolarHBondContact O-N 3.39Å; A208-I211 PolarHBondContact O-N 3.27Å; A208-L212 HydrophobicContact CB-CD1 4.5Å; A208-L212 VanDerWaalsContact O-CB 3.24Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 WeakPolarHBondContact O-CD1 3.17Å; A208-L212 WeakPolarHBondContact O-CG 3.16Å; A208-L212 PolarHBondContact O-N 3.2Å
209Q72.5Confident71.2Confident4 Ų468.2 Ų68.22%0.01938%0.378CS..Hα-helixtrans-59.4-45.3176-55.5-165.38.700111.7V181 P185 V205 W206 L207 I211 L212 Y213V181-Q209 HydrophobicContact CG1-CB 4.45Å; V181-Q209 VanDerWaalsContact O-CG 3.27Å; V181-Q209 WeakPolarHBondContact O-CG 3.45Å; P185-Q209 HydrophobicContact CB-CG 4.08Å; P185-Q209 HydrophobicContact CG-CG 4.19Å; V205-Q209 WeakPolarHBondContact O-CG 3.32Å; V205-Q209 PolarHBondContact O-N 3.48Å; V205-Q209 VanDerWaalsContact O-N 3.15Å; W206-Q209 WeakPolarHBondContact O-CB 3.47Å; W206-Q209 PolarHBondContact O-N 3.27Å; W206-Q209 VanDerWaalsContact O-N 3.14Å; L207-Q209 VanDerWaalsContact C-N 3.32Å; L207-Q209 PolarHBondContact O-N 3.35Å; Q209-I211 VanDerWaalsContact C-N 3.32Å; Q209-I211 PolarHBondContact O-N 3.11Å; Q209-L212 PolarHBondContact O-N 2.86Å; Q209-Y213 HydrophobicContact CB-CD2 4.11Å; Q209-Y213 HydrophobicContact CB-CE2 3.99Å; Q209-Y213 WeakPolarHBondContact O-CD2 3.14Å; Q209-Y213 PolarHBondContact O-N 2.55Å
210I70.1Confident72.2Confident66 Ų6665.1 Ų65.134%0.33836%0.356SS..Hα-helixtrans-59.4-43.9-178.2-65.5170.2000111.2I5 W206 L207 A208 P214I5-I210 HydrophobicContact CD1-CD1 3.94Å; I5-I210 HydrophobicContact CD1-CG1 3.88Å; I5-I210 HydrophobicContact CG1-CD1 4.42Å; I5-I210 HydrophobicContact CG2-CD1 4.21Å; W206-I210 WeakPolarHBondContact O-CG1 3.27Å; W206-I210 PolarHBondContact O-N 2.88Å; L207-I210 HydrophobicContact CD2-CD1 4.45Å; L207-I210 PolarHBondContact O-N 3.36Å; A208-I210 VanDerWaalsContact C-N 3.34Å; A208-I210 PolarHBondContact O-N 3.39Å; I210-P214 WeakPolarHBondContact O-CD 3.5Å
211I72.9Confident73.1Confident122 Ų12266.9 Ų66.963%0.62636%0.36SS*.Hα-helixtrans-69-40179.1-65.2168.9000110.3L207 A208 Q209 P214 T215L207-I211 WeakPolarHBondContact O-CG1 3.49Å; L207-I211 PolarHBondContact O-N 2.81Å; L207-I211 VanDerWaalsContact O-N 3.13Å; A208-I211 PolarHBondContact O-N 3.27Å; Q209-I211 VanDerWaalsContact C-N 3.32Å; Q209-I211 PolarHBondContact O-N 3.11Å; I211-P214 WeakPolarHBondContact O-CD 3.14Å; I211-T215 WeakPolarHBondContact O-CG2 3.36Å
212L76.7Confident74.1Confident69 Ų6965.6 Ų65.636%0.36136%0.36SS..Hα-helixtrans-75.3-45.3-174.2-72.5169.9000111.9Y177 V181 A208 Q209 P214 T215Y177-L212 VanDerWaalsContact CE1-O 3.29Å; Y177-L212 WeakPolarHBondContact CE1-O 3.36Å; Y177-L212 VanDerWaalsContact CZ-O 3.23Å; Y177-L212 VanDerWaalsContact OH-CA 3.31Å; Y177-L212 WeakPolarHBondContact OH-CA 3.41Å; Y177-L212 WeakPolarHBondContact OH-CB 3.18Å; Y177-L212 PolarHBondContact OH-O 3.43Å; V181-L212 HydrophobicContact CB-CB 4.32Å; V181-L212 HydrophobicContact CG1-CB 3.56Å; V181-L212 HydrophobicContact CG1-CD1 4.5Å; V181-L212 HydrophobicContact CG2-CB 3.74Å; V181-L212 HydrophobicContact CG2-CD1 4.11Å; V181-L212 HydrophobicContact CG2-CG 4.42Å; A208-L212 HydrophobicContact CB-CD1 4.5Å; A208-L212 VanDerWaalsContact O-CB 3.24Å; A208-L212 WeakPolarHBondContact O-CB 3.47Å; A208-L212 WeakPolarHBondContact O-CD1 3.17Å; A208-L212 WeakPolarHBondContact O-CG 3.16Å; A208-L212 PolarHBondContact O-N 3.2Å; Q209-L212 PolarHBondContact O-N 2.86Å; L212-P214 VanDerWaalsContact O-N 3.16Å; L212-T215 WeakPolarHBondContact O-CG2 3.48Å; L212-T215 PolarHBondContact O-N 2.89Å; L212-T215 PolarHBondContact O-OG1 3.31Å
213Y72.6Confident75Confident52 Ų5267.6 Ų67.620%0.20437%0.366CS..THydrogen-bonded Turntrans-45.1-50.2-176.4-91.8-66000116.1M1 V181 Q182 Q209 T215 P217M1-Y213 HydrophobicContact CE-CE2 4.06Å; M1-Y213 HydrophobicContact SD-CD2 4.32Å; M1-Y213 HydrophobicContact SD-CE2 3.83Å; V181-Y213 HydrophobicContact CG1-CD2 4.14Å; V181-Y213 HydrophobicContact CG1-CE2 4.24Å; V181-Y213 HydrophobicContact CG1-CG 4.27Å; Q182-Y213 VanDerWaalsContact CB-OH 3.27Å; Q182-Y213 WeakPolarHBondContact CB-OH 3.35Å; Q182-Y213 WeakPolarHBondContact CG-OH 3.36Å; Q182-Y213 PolarHBondContact OE1-OH 2.87Å; Q209-Y213 HydrophobicContact CB-CD2 4.11Å; Q209-Y213 HydrophobicContact CB-CE2 3.99Å; Q209-Y213 WeakPolarHBondContact O-CD2 3.14Å; Q209-Y213 PolarHBondContact O-N 2.55Å; Y213-T215 VanDerWaalsContact C-N 3.27Å; Y213-T215 PolarHBondContact O-N 2.99Å; Y213-P217 VanDerWaalsContact O-CD 3.25Å; Y213-P217 WeakPolarHBondContact O-CD 3.34Å
214P75.1Confident75.7Confident63 Ų6365.5 Ų65.541%0.40935%0.35SS..THydrogen-bonded Turntrans-72.8-13.8-178.427.1-33.5000114I210 I211 L212 Y216 P217 L218I210-P214 WeakPolarHBondContact O-CD 3.5Å; I211-P214 WeakPolarHBondContact O-CD 3.14Å; L212-P214 VanDerWaalsContact O-N 3.16Å; P214-Y216 VanDerWaalsContact C-N 3.31Å; P214-Y216 PolarHBondContact O-N 3.4Å; P214-P217 VanDerWaalsContact O-CD 3.22Å; P214-P217 WeakPolarHBondContact O-CD 2.74Å; P214-P217 VanDerWaalsContact O-CG 3.29Å; P214-P217 WeakPolarHBondContact O-CG 3.42Å; P214-L218 WeakPolarHBondContact O-CB 3.3Å; P214-L218 WeakPolarHBondContact O-CD1 3.28Å; P214-L218 VanDerWaalsContact O-CG 3.25Å; P214-L218 WeakPolarHBondContact O-CG 3.44Å; P214-L218 PolarHBondContact O-N 3.32Å
215T79.3Confident76.5Confident58 Ų5868 Ų6836%0.35635%0.35SS..Hα-helixtrans-68.5-31.3-179.983.70000112.1Y177 I211 L212 Y213 L218 H219Y177-T215 VanDerWaalsContact CZ-OG1 3.28Å; Y177-T215 PolarHBondContact OH-OG1 3.08Å; I211-T215 WeakPolarHBondContact O-CG2 3.36Å; L212-T215 WeakPolarHBondContact O-CG2 3.48Å; L212-T215 PolarHBondContact O-N 2.89Å; L212-T215 PolarHBondContact O-OG1 3.31Å; Y213-T215 VanDerWaalsContact C-N 3.27Å; Y213-T215 PolarHBondContact O-N 2.99Å; T215-L218 PolarHBondContact O-N 3.36Å; T215-H219 WeakPolarHBondContact O-CB 3.05Å; T215-H219 PolarHBondContact O-N 3.2Å
216Y78.5Confident77.2Confident37 Ų3773.3 Ų73.315%0.14537%0.371CS..Hα-helixtrans-63-55.6175.5170.7-98.3000113.1R170 T173 L174 Y177 P214 L218 H219 S220R170-Y216 PolarHBondContact O-OH 3.43Å; T173-Y216 HydrophobicContact CG2-CD2 4.41Å; T173-Y216 HydrophobicContact CG2-CE2 3.94Å; L174-Y216 HydrophobicContact CB-CE1 4.12Å; L174-Y216 HydrophobicContact CB-CE2 4.18Å; L174-Y216 HydrophobicContact CD1-CD1 3.63Å; L174-Y216 HydrophobicContact CD1-CE1 3.48Å; L174-Y216 VanDerWaalsContact CD1-CE1 3.48Å; L174-Y216 HydrophobicContact CD1-CG 4.28Å; L174-Y216 HydrophobicContact CG-CE1 4.28Å; Y177-Y216 HydrophobicContact CD1-CG 4.42Å; Y177-Y216 HydrophobicContact CG-CD2 4.45Å; Y177-Y216 HydrophobicContact CG-CG 4.41Å; P214-Y216 VanDerWaalsContact C-N 3.31Å; P214-Y216 PolarHBondContact O-N 3.4Å; Y216-L218 VanDerWaalsContact C-N 3.27Å; Y216-L218 PolarHBondContact O-N 2.89Å; Y216-H219 PolarHBondContact O-N 3.48Å; Y216-S220 WeakPolarHBondContact O-CB 3.3Å; Y216-S220 PolarHBondContact O-N 3.4Å
217P77Confident78Confident58 Ų5874.2 Ų74.238%0.37738%0.379SS..Hα-helixtrans-61.8-36.2177.721-29.6000111.6Y213 P214 S220 L221Y213-P217 VanDerWaalsContact O-CD 3.25Å; Y213-P217 WeakPolarHBondContact O-CD 3.34Å; P214-P217 VanDerWaalsContact O-CD 3.22Å; P214-P217 WeakPolarHBondContact O-CD 2.74Å; P214-P217 VanDerWaalsContact O-CG 3.29Å; P214-P217 WeakPolarHBondContact O-CG 3.42Å; P217-S220 PolarHBondContact O-N 2.96Å; P217-L221 VanDerWaalsContact O-CB 3.31Å; P217-L221 WeakPolarHBondContact O-CB 3Å; P217-L221 VanDerWaalsContact O-CG 3.22Å; P217-L221 WeakPolarHBondContact O-CG 3.44Å; P217-L221 PolarHBondContact O-N 2.97Å
218L81.1Confident78.4Confident107 Ų10774.7 Ų74.756%0.5638%0.38SS*.Hα-helixtrans-61.2-46.1172.8-73.6169.2000112P214 T215 Y216 S220 L221 T222P214-L218 WeakPolarHBondContact O-CB 3.3Å; P214-L218 WeakPolarHBondContact O-CD1 3.28Å; P214-L218 VanDerWaalsContact O-CG 3.25Å; P214-L218 WeakPolarHBondContact O-CG 3.44Å; P214-L218 PolarHBondContact O-N 3.32Å; T215-L218 PolarHBondContact O-N 3.36Å; Y216-L218 VanDerWaalsContact C-N 3.27Å; Y216-L218 PolarHBondContact O-N 2.89Å; L218-S220 PolarHBondContact O-N 2.93Å; L218-L221 PolarHBondContact O-N 2.81Å; L218-T222 WeakPolarHBondContact O-CB 3.07Å; L218-T222 VanDerWaalsContact O-CG2 3.28Å; L218-T222 WeakPolarHBondContact O-CG2 3.37Å; L218-T222 PolarHBondContact O-N 3.24Å; L218-T222 PolarHBondContact O-OG1 3.44Å
219H82Confident78.8Confident107 Ų10779.4 Ų79.450%0.49539%0.393SS..Hα-helixtrans-64.2-40.1176.2178.9-100.9000111.8T215 Y216 T222 R223T215-H219 WeakPolarHBondContact O-CB 3.05Å; T215-H219 PolarHBondContact O-N 3.2Å; Y216-H219 PolarHBondContact O-N 3.48Å; H219-T222 WeakPolarHBondContact CA-OG1 3.29Å; H219-T222 PolarHBondContact O-OG1 2.04Å; H219-R223 VanDerWaalsContact O-CB 3.31Å; H219-R223 WeakPolarHBondContact O-CB 3.37Å; H219-R223 PolarHBondContact O-N 3.16Å
220S79.8Confident79.1Confident25 Ų2588 Ų8818%0.17543%0.425CS..Hα-helixtrans-64-49.4175.8-171.80000111.2Y216 P217 L218 T222 R223 E224Y216-S220 WeakPolarHBondContact O-CB 3.3Å; Y216-S220 PolarHBondContact O-N 3.4Å; P217-S220 PolarHBondContact O-N 2.96Å; L218-S220 PolarHBondContact O-N 2.93Å; S220-T222 PolarHBondContact O-N 3.04Å; S220-R223 WeakPolarHBondContact O-CB 3.35Å; S220-R223 PolarHBondContact O-N 3.22Å; S220-E224 WeakPolarHBondContact O-CG 3.35Å; S220-E224 PolarHBondContact O-N 2.88Å
221L82.2Confident79.5Confident118 Ų11891.3 Ų91.362%0.61844%0.439SS*.Hα-helixtrans-60.1-46.7178.4-75.8170.3000112P217 L218 R223 E224 Y225P217-L221 VanDerWaalsContact O-CB 3.31Å; P217-L221 WeakPolarHBondContact O-CB 3Å; P217-L221 VanDerWaalsContact O-CG 3.22Å; P217-L221 WeakPolarHBondContact O-CG 3.44Å; P217-L221 PolarHBondContact O-N 2.97Å; L218-L221 PolarHBondContact O-N 2.81Å; L221-R223 VanDerWaalsContact C-N 3.29Å; L221-R223 PolarHBondContact O-N 2.92Å; L221-E224 PolarHBondContact O-N 3.37Å; L221-Y225 WeakPolarHBondContact O-CB 3.26Å; L221-Y225 PolarHBondContact O-N 3.33Å
222T84.3Confident79.6Confident74 Ų7494.9 Ų94.945%0.45445%0.445SS..Hα-helixtrans-63.1-36.8177.852.10000111.8L218 H219 S220 K226L218-T222 WeakPolarHBondContact O-CB 3.07Å; L218-T222 VanDerWaalsContact O-CG2 3.28Å; L218-T222 WeakPolarHBondContact O-CG2 3.37Å; L218-T222 PolarHBondContact O-N 3.24Å; L218-T222 PolarHBondContact O-OG1 3.44Å; H219-T222 WeakPolarHBondContact CA-OG1 3.29Å; H219-T222 PolarHBondContact O-OG1 2.04Å; S220-T222 PolarHBondContact O-N 3.04Å; T222-K226 WeakPolarHBondContact O-CB 3.25Å; T222-K226 WeakPolarHBondContact O-CG 3.43Å; T222-K226 PolarHBondContact O-N 2.84Å
223R81.8Confident79.3Confident68 Ų6895 Ų9526%0.25745%0.451SS..Hα-helixtrans-67-45.6174.7-167.5179.975.1-176.5-0.5112.1H219 S220 L221 K226 N227H219-R223 VanDerWaalsContact O-CB 3.31Å; H219-R223 WeakPolarHBondContact O-CB 3.37Å; H219-R223 PolarHBondContact O-N 3.16Å; S220-R223 WeakPolarHBondContact O-CB 3.35Å; S220-R223 PolarHBondContact O-N 3.22Å; L221-R223 VanDerWaalsContact C-N 3.29Å; L221-R223 PolarHBondContact O-N 2.92Å; R223-K226 PolarHBondContact O-N 3.39Å; R223-N227 VanDerWaalsContact O-CG 3.25Å; R223-N227 PolarHBondContact O-N 2.56Å; R223-N227 PolarHBondContact O-ND2 2.66Å
224E81.2Confident79.2Confident45 Ų4597.7 Ų97.721%0.2147%0.473CS..Hα-helixtrans-64.5-41.2177.1-67-54.3140.700111.7R170 S220 L221 K226 N227 M228R170-E224 IonicContact CZ-OE1 3.24Å; R170-E224 VanDerWaalsContact CZ-OE1 3.24Å; R170-E224 IonicContact CZ-OE2 3.94Å; R170-E224 IonicContact NE-OE1 3.04Å; R170-E224 PolarHBondContact NE-OE1 3.35Å; R170-E224 IonicContact NH2-OE1 2.69Å; R170-E224 PolarHBondContact NH2-OE1 3.16Å; R170-E224 IonicContact NH2-OE2 2.85Å; R170-E224 PolarHBondContact NH2-OE2 3.24Å; S220-E224 WeakPolarHBondContact O-CG 3.35Å; S220-E224 PolarHBondContact O-N 2.88Å; L221-E224 PolarHBondContact O-N 3.37Å; E224-K226 PolarHBondContact O-N 3.01Å; E224-N227 PolarHBondContact O-N 2.74Å; E224-M228 WeakPolarHBondContact O-CG 3.32Å; E224-M228 PolarHBondContact O-N 3.48Å
225Y83.3Confident78.7Confident149 Ų149103 Ų10358%0.58449%0.489SS*.Hα-helixtrans-58.7-46.2173.7-179.5-97.8000111.9L221 N227 M228 K229L221-Y225 WeakPolarHBondContact O-CB 3.26Å; L221-Y225 PolarHBondContact O-N 3.33Å; Y225-N227 VanDerWaalsContact C-N 3.34Å; Y225-N227 PolarHBondContact O-N 2.93Å; Y225-M228 PolarHBondContact O-N 3Å; Y225-K229 WeakPolarHBondContact O-CB 3.35Å; Y225-K229 PolarHBondContact O-N 2.81Å
226K83.9Confident77.9Confident138 Ų138105.6 Ų105.660%0.651%0.505SS*.Hα-helixtrans-60.8-41.2174.6-76.9177.3-179.8177.90112T222 R223 E224 K229 R230T222-K226 WeakPolarHBondContact O-CB 3.25Å; T222-K226 WeakPolarHBondContact O-CG 3.43Å; T222-K226 PolarHBondContact O-N 2.84Å; R223-K226 PolarHBondContact O-N 3.39Å; E224-K226 PolarHBondContact O-N 3.01Å; K226-K229 PolarHBondContact O-N 2.83Å; K226-R230 WeakPolarHBondContact O-CG 3.43Å; K226-R230 PolarHBondContact O-N 3.12Å
227N81.8Confident76.5Confident64 Ų64109.7 Ų109.734%0.34253%0.53SS..Hα-helixtrans-65.1-44177.8-70.8-20.9000112.2R223 E224 Y225 R230 Q231R223-N227 VanDerWaalsContact O-CG 3.25Å; R223-N227 PolarHBondContact O-N 2.56Å; R223-N227 PolarHBondContact O-ND2 2.66Å; E224-N227 PolarHBondContact O-N 2.74Å; Y225-N227 VanDerWaalsContact C-N 3.34Å; Y225-N227 PolarHBondContact O-N 2.93Å; N227-R230 PolarHBondContact O-N 2.89Å; N227-Q231 PolarHBondContact O-N 2.89Å
228M79.1Confident75.2Confident104 Ų104111.5 Ų111.551%0.51254%0.541SS..Hα-helixtrans-63.2-41.5176-72.2-171.6-72.100111.9E224 Y225 R230 Q231 R232E224-M228 WeakPolarHBondContact O-CG 3.32Å; E224-M228 PolarHBondContact O-N 3.48Å; Y225-M228 PolarHBondContact O-N 3Å; M228-R230 VanDerWaalsContact C-N 3.34Å; M228-R230 PolarHBondContact O-N 3.44Å; M228-Q231 PolarHBondContact O-N 2.92Å; M228-R232 PolarHBondContact O-N 3.43Å
229K79.6Confident73.7Confident140 Ų140111.4 Ų111.461%0.60955%0.549SS*.Hα-helixtrans-61.8-41.6176.5-168.9173.1-178.1176.40111.7Y225 K226 R232 S233Y225-K229 WeakPolarHBondContact O-CB 3.35Å; Y225-K229 PolarHBondContact O-N 2.81Å; K226-K229 PolarHBondContact O-N 2.83Å; K229-R232 PolarHBondContact O-N 2.92Å; K229-S233 PolarHBondContact O-N 3.03Å
230R79.6Confident72.1Confident184 Ų184112.2 Ų112.269%0.69456%0.563SS**Hα-helixtrans-62.6-44.6174.3-74.6178.6177.6-174.1-1.6112.2K226 N227 M228 R232 S233 V234K226-R230 WeakPolarHBondContact O-CG 3.43Å; K226-R230 PolarHBondContact O-N 3.12Å; N227-R230 PolarHBondContact O-N 2.89Å; M228-R230 VanDerWaalsContact C-N 3.34Å; M228-R230 PolarHBondContact O-N 3.44Å; R230-R232 PolarHBondContact O-N 3.38Å; R230-S233 PolarHBondContact O-N 3.3Å; R230-V234 WeakPolarHBondContact O-CG2 3.41Å; R230-V234 PolarHBondContact O-N 3.01Å
231Q77.3Confident70.6Confident136 Ų136115.4 Ų115.464%0.63659%0.585SS**Hα-helixtrans-63.6-39.3178-74.3-177.7-9.700113N227 M228 V234 K235N227-Q231 PolarHBondContact O-N 2.89Å; M228-Q231 PolarHBondContact O-N 2.92Å; Q231-V234 PolarHBondContact O-N 3.32Å; Q231-K235 PolarHBondContact O-N 3.39Å; Q231-K235 VanDerWaalsContact O-N 3.15Å
232R74.5Confident68.9Low196 Ų196115.7 Ų115.774%0.7459%0.592SS**Hα-helixtrans-63-43.2172.8-76.3-171.1-172.8-178.62.5111.6M228 K229 R230 V234 K235 V236M228-R232 PolarHBondContact O-N 3.43Å; K229-R232 PolarHBondContact O-N 2.92Å; R230-R232 PolarHBondContact O-N 3.38Å; R232-V234 VanDerWaalsContact C-N 3.32Å; R232-V234 PolarHBondContact O-N 2.95Å; R232-K235 PolarHBondContact O-N 3.07Å; R232-V236 VanDerWaalsContact O-CG2 3.32Å; R232-V236 WeakPolarHBondContact O-CG2 3.39Å; R232-V236 PolarHBondContact O-N 3.26Å
233S70.6Confident67.2Low72 Ų72119.4 Ų119.450%0.50361%0.609SS.*Hα-helixtrans-62.3-36.8178.6-173.10000113.2K229 R230 N237K229-S233 PolarHBondContact O-N 3.03Å; R230-S233 PolarHBondContact O-N 3.3Å; S233-N237 PolarHBondContact O-N 3.22Å
234V71.1Confident65.6Low108 Ų108127.3 Ų127.366%0.65564%0.638SS**Hα-helixtrans-69-39.9175.7174.80000111.5R230 Q231 R232 V236 N237R230-V234 WeakPolarHBondContact O-CG2 3.41Å; R230-V234 PolarHBondContact O-N 3.01Å; Q231-V234 PolarHBondContact O-N 3.32Å; R232-V234 VanDerWaalsContact C-N 3.32Å; R232-V234 PolarHBondContact O-N 2.95Å; V234-V236 VanDerWaalsContact C-N 3.33Å; V234-V236 PolarHBondContact O-N 3.49Å; V234-N237 CarbonylContact O-C 3.54Å; V234-N237 PolarHBondContact O-N 3.17Å
235K65.4Low64Low174 Ų174132.3 Ų132.376%0.75767%0.667SS**Hα-helixtrans-69.9-26.8177.8-75.3-172.5178.3-172.90113.9Q231 R232 P238Q231-K235 PolarHBondContact O-N 3.39Å; Q231-K235 VanDerWaalsContact O-N 3.15Å; R232-K235 PolarHBondContact O-N 3.07Å; K235-P238 WeakPolarHBondContact O-CD 3.27Å
236V62.5Low62.3Low113 Ų113132 Ų13269%0.68567%0.674SS**Hα-helixtrans-83.3-24.7177.9175.10000111.8R232 V234 P238R232-V236 VanDerWaalsContact O-CG2 3.32Å; R232-V236 WeakPolarHBondContact O-CG2 3.39Å; R232-V236 PolarHBondContact O-N 3.26Å; V234-V236 VanDerWaalsContact C-N 3.33Å; V234-V236 PolarHBondContact O-N 3.49Å; V236-P238 WeakPolarHBondContact O-CD 3.44Å
237N47.5Very low60.4Low123 Ų123133 Ų13366%0.65869%0.685SS**  trans-11361.7172.6-74.1-22.1000112S233 V234 C239S233-N237 PolarHBondContact O-N 3.22Å; V234-N237 CarbonylContact O-C 3.54Å; V234-N237 PolarHBondContact O-N 3.17Å; N237-C239 VanDerWaalsContact C-N 3.3Å; N237-C239 PolarHBondContact O-N 3.12Å
238P50.4Low59.2Low96 Ų96139.3 Ų139.362%0.62373%0.73SS**  trans-67.6100162.529.2-25.5000106K235 V236 P240K235-P238 WeakPolarHBondContact O-CD 3.27Å; V236-P238 WeakPolarHBondContact O-CD 3.44Å; P238-P240 WeakPolarHBondContact O-CD 3.41Å; P238-P240 VanDerWaalsContact O-N 3.15Å
239C48.8Very low58.2Low106 Ų106141.1 Ų141.172%0.71674%0.741SS**  trans-53.2121.5176.4-139.80000108.4N237 S241N237-C239 VanDerWaalsContact C-N 3.3Å; N237-C239 PolarHBondContact O-N 3.12Å; C239-S241 PolarHBondContact O-N 3.22Å
240P49.2Very low57.1Low124 Ų124141.1 Ų141.181%0.80575%0.748SS**  trans-79.762.2175.332.8-31.7000109.2P238P238-P240 WeakPolarHBondContact O-CD 3.41Å; P238-P240 VanDerWaalsContact O-N 3.15Å
241S48.1Very low55.9Low91 Ų91138.7 Ų138.764%0.63675%0.751SS**THydrogen-bonded Turntrans-89.197.5158540000104.5C239C239-S241 PolarHBondContact O-N 3.22Å
242T47.6Very low54.6Low124 Ų124138.9 Ų138.976%0.76176%0.757SS**THydrogen-bonded Turn-170.436.394-37.30000111
243L47.3Very low53.3Low153 Ų153135.3 Ų135.380%0.80176%0.759SS**SBendtrans-108.38.2179.5-123.9125.2000114.7
244R48.8Very low52.2Low233 Ų233139.5 Ų139.588%0.87978%0.776SS**SBendtrans-94.2-3.8176.2-162.9174.6-75.4-160.8-1.7114.5
245N46.9Very low50.8Low151 Ų151141.8 Ų141.881%0.80778%0.784SS**SBendtrans-103.917.9177.5-69.9-3.1000113.8
246L49.2Very low49.7Very low141 Ų141139.3 Ų139.374%0.73879%0.786SS**SBendtrans-125.356.5175.5-78.7167.5000110.6
247L42.7Very low48.7Very low159 Ų159141.5 Ų141.583%0.83280%0.795SS**  trans-156.796.2160.5-98.1141.3000107.3
248P57.4Low48.8Very low197 Ų197143.2 Ų143.2100%1.27981%0.807SS**  trans-63.30154.428.9-32.4000111.2

Retrieved 248 of 248 residues in 208.4 ms (Link to these results)

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