A0A3Q0KPU9_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KPU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 275 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
1M36.8Very low53.5Low213 Ų21361.1 Ų61.1100%1.04930%0.301SS*.  0-37.80-112.3-174.9-164.100112.8
2K39.2Very low54.5Low111 Ų11162.3 Ų62.348%0.48331%0.31SS..  trans-78.9-18.9-178.1-69.5179.9171.2-168.30115.5C4 T5 E85K2-C4 VanDerWaalsContact C-N 3.33Å; K2-C4 PolarHBondContact O-N 3.41Å; K2-T5 WeakPolarHBondContact CA-OG1 3.37Å; K2-T5 WeakPolarHBondContact O-CB 3.26Å; K2-T5 PolarHBondContact O-N 3.19Å; K2-T5 PolarHBondContact O-OG1 2.74Å; K2-E85 HydrophobicContact CB-CG 4.48Å; K2-E85 WeakPolarHBondContact CD-OE1 3.18Å; K2-E85 IonicContact NZ-OE1 2.97Å
3D45.1Very low55Low42 Ų4257.5 Ų57.523%0.22529%0.286CS..THydrogen-bonded Turntrans-67.5-28.9-174.6-52-35.6000114.1T5 M89D3-T5 VanDerWaalsContact C-N 3.32Å; D3-M89 HydrophobicContact CB-CE 3.85Å; D3-M89 WeakPolarHBondContact OD1-CE 3.34Å
4C49.2Very low55.4Low23 Ų2353.5 Ų53.516%0.15527%0.266CS..THydrogen-bonded Turntrans-82.5-9.5175.8-107.80000112K2 F7 I8 C225K2-C4 VanDerWaalsContact C-N 3.33Å; K2-C4 PolarHBondContact O-N 3.41Å; C4-F7 PolarHBondContact O-N 2.78Å; C4-I8 WeakPolarHBondContact O-CG1 3.32Å; C4-I8 PolarHBondContact O-N 2.68Å; C4-C225 HydrophobicContact CB-CB 4.29Å; C4-C225 WeakPolarHBondContact CB-SG 3.45Å; C4-C225 WeakPolarHBondContact SG-CB 3.37Å; C4-C225 CovalentContact SG-SG 2.08Å; C4-C225 PolarHBondContact SG-SG 3.34Å
5T55.4Low56.1Low26 Ų2654.7 Ų54.716%0.1628%0.282CS..Hα-helixtrans-67.4-41.3-171.7-55.10000112.6K2 D3 F7 I8 V9 W77 I81K2-T5 WeakPolarHBondContact CA-OG1 3.37Å; K2-T5 WeakPolarHBondContact O-CB 3.26Å; K2-T5 PolarHBondContact O-N 3.19Å; K2-T5 PolarHBondContact O-OG1 2.74Å; D3-T5 VanDerWaalsContact C-N 3.32Å; T5-F7 PolarHBondContact O-N 3.25Å; T5-I8 PolarHBondContact O-N 2.91Å; T5-V9 VanDerWaalsContact O-CG2 3.28Å; T5-V9 WeakPolarHBondContact O-CG2 3.24Å; T5-V9 PolarHBondContact O-N 2.7Å; T5-W77 HydrophobicContact CG2-CH2 3.04Å; T5-W77 HydrophobicContact CG2-CZ2 3.85Å; T5-W77 HydrophobicContact CG2-CZ3 3.47Å; T5-W77 VanDerWaalsContact CG2-CZ3 3.47Å; T5-I81 HydrophobicContact CG2-CD1 3.49Å; T5-I81 VanDerWaalsContact CG2-CD1 3.49Å
6I57.6Low56.6Low22 Ų2253.6 Ų53.611%0.11328%0.277CS..Hα-helixtrans-57-40.5178.6-67.9173.8000111.1V9 L10 L78 I81 I82I6-V9 WeakPolarHBondContact O-CB 3.33Å; I6-V9 PolarHBondContact O-N 3.08Å; I6-L10 HydrophobicContact CG2-CD1 3.92Å; I6-L10 WeakPolarHBondContact O-CG 3.46Å; I6-L10 PolarHBondContact O-N 3.37Å; I6-L78 HydrophobicContact CB-CD1 3.91Å; I6-L78 HydrophobicContact CG1-CD1 3.7Å; I6-L78 HydrophobicContact CG2-CD1 3.65Å; I6-I81 HydrophobicContact CG1-CG2 4.17Å; I6-I82 HydrophobicContact CD1-CG1 3.9Å; I6-I82 HydrophobicContact CG1-CG1 4.49Å
7F57.7Low56.7Low29 Ų2950.5 Ų50.513%0.12726%0.261CS..Hα-helixtrans-71.8-43.2-179.6-86-84.1000113.4C4 T5 V9 L10 E11 L184 I188 I228 I233C4-F7 PolarHBondContact O-N 2.78Å; T5-F7 PolarHBondContact O-N 3.25Å; F7-V9 PolarHBondContact O-N 3.18Å; F7-L10 PolarHBondContact O-N 3.36Å; F7-L10 VanDerWaalsContact O-N 3.1Å; F7-E11 WeakPolarHBondContact O-CB 2.93Å; F7-E11 PolarHBondContact O-N 3.42Å; F7-L184 HydrophobicContact CE1-CD2 3.84Å; F7-L184 HydrophobicContact CE2-CD1 4.47Å; F7-L184 HydrophobicContact CE2-CD2 4.26Å; F7-L184 HydrophobicContact CZ-CD1 4.23Å; F7-L184 HydrophobicContact CZ-CD2 3.49Å; F7-L184 VanDerWaalsContact CZ-CD2 3.49Å; F7-L184 HydrophobicContact CZ-CG 3.84Å; F7-I188 HydrophobicContact CE1-CD1 4.28Å; F7-I188 HydrophobicContact CE2-CD1 3.38Å; F7-I188 HydrophobicContact CZ-CD1 3.08Å; F7-I228 HydrophobicContact CB-CG1 4.45Å; F7-I228 HydrophobicContact CD1-CD1 4.43Å; F7-I228 HydrophobicContact CD1-CG1 3.96Å; F7-I228 HydrophobicContact CD1-CG2 4.06Å; F7-I228 HydrophobicContact CD2-CD1 3.16Å; F7-I228 HydrophobicContact CD2-CG1 3.56Å; F7-I228 HydrophobicContact CE1-CD1 4.48Å; F7-I228 HydrophobicContact CE1-CG1 4.17Å; F7-I228 HydrophobicContact CE1-CG2 3.57Å; F7-I228 HydrophobicContact CE2-CD1 3.23Å; F7-I228 HydrophobicContact CE2-CG1 3.8Å; F7-I228 HydrophobicContact CE2-CG2 4.21Å; F7-I228 HydrophobicContact CG-CD1 3.83Å; F7-I228 HydrophobicContact CG-CG1 3.66Å; F7-I228 HydrophobicContact CZ-CB 4.49Å; F7-I228 HydrophobicContact CZ-CD1 3.95Å; F7-I228 HydrophobicContact CZ-CG1 4.1Å; F7-I228 HydrophobicContact CZ-CG2 3.68Å; F7-I233 HydrophobicContact CE1-CD1 3.99Å; F7-I233 HydrophobicContact CE1-CG1 3.95Å; F7-I233 HydrophobicContact CZ-CD1 4.2Å
8I61.7Low57Low86 Ų8649 Ų4944%0.44125%0.253SS..Hα-helixtrans-57.9-39.3173.5-65.9167.7000109.6C4 T5 N12C4-I8 WeakPolarHBondContact O-CG1 3.32Å; C4-I8 PolarHBondContact O-N 2.68Å; T5-I8 PolarHBondContact O-N 2.91Å; I8-N12 WeakPolarHBondContact O-CB 3.34Å; I8-N12 PolarHBondContact O-N 2.74Å; I8-N12 PolarHBondContact O-ND2 3.33Å
9V61.6Low57.3Low0 Ų048.6 Ų48.60%026%0.257CS..Hα-helixtrans-65.1-44.41751790000112T5 I6 F7 N12 T13 Q74 W77 L78T5-V9 VanDerWaalsContact O-CG2 3.28Å; T5-V9 WeakPolarHBondContact O-CG2 3.24Å; T5-V9 PolarHBondContact O-N 2.7Å; I6-V9 WeakPolarHBondContact O-CB 3.33Å; I6-V9 PolarHBondContact O-N 3.08Å; F7-V9 PolarHBondContact O-N 3.18Å; V9-N12 CarbonylContact O-C 3.54Å; V9-N12 PolarHBondContact O-N 3.03Å; V9-T13 VanDerWaalsContact O-CB 3.23Å; V9-T13 WeakPolarHBondContact O-CB 3.49Å; V9-T13 PolarHBondContact O-N 2.94Å; V9-T13 PolarHBondContact O-OG1 3.44Å; V9-Q74 HydrophobicContact CG1-CB 4.26Å; V9-W77 HydrophobicContact CG2-CE3 3.28Å; V9-W77 HydrophobicContact CG2-CH2 4.32Å; V9-W77 HydrophobicContact CG2-CZ3 3.08Å; V9-L78 HydrophobicContact CG1-CB 4.08Å
10L61.5Low57.4Low2 Ų246.2 Ų46.21%0.0124%0.244CC..Hα-helixtrans-67.3-42.4-179.4-73.5166.7000111.9I6 F7 N12 T13 V14 L78 F180 L184I6-L10 HydrophobicContact CG2-CD1 3.92Å; I6-L10 WeakPolarHBondContact O-CG 3.46Å; I6-L10 PolarHBondContact O-N 3.37Å; F7-L10 PolarHBondContact O-N 3.36Å; F7-L10 VanDerWaalsContact O-N 3.1Å; L10-N12 VanDerWaalsContact C-N 3.35Å; L10-T13 WeakPolarHBondContact O-CB 3.28Å; L10-T13 PolarHBondContact O-N 2.99Å; L10-T13 VanDerWaalsContact O-N 3.16Å; L10-V14 WeakPolarHBondContact O-CG2 3.46Å; L10-V14 PolarHBondContact O-N 3.43Å; L10-L78 HydrophobicContact CD2-CD2 4.31Å; L10-F180 HydrophobicContact CD1-CE1 4.24Å; L10-F180 HydrophobicContact CD2-CD1 4.15Å; L10-F180 HydrophobicContact CD2-CE1 3.75Å; L10-L184 HydrophobicContact CD1-CD2 3.15Å
11E63.1Low57.5Low118 Ų11844.2 Ų44.255%0.55123%0.234SC*.Hα-helixtrans-61.7-44.9173.4-172.3177.3-175.500110.7F7 T13 V14 S15F7-E11 WeakPolarHBondContact O-CB 2.93Å; F7-E11 PolarHBondContact O-N 3.42Å; E11-T13 VanDerWaalsContact C-N 3.29Å; E11-T13 PolarHBondContact O-N 2.81Å; E11-V14 PolarHBondContact O-N 2.58Å; E11-S15 WeakPolarHBondContact O-CB 3.3Å; E11-S15 PolarHBondContact O-N 2.66Å
12N65.1Low58.6Low75 Ų7540.8 Ų40.840%0.40121%0.21SC..Hα-helixtrans-61.5-38.9173.3-73.9-20.5000111.7I8 V9 L10 N16I8-N12 WeakPolarHBondContact O-CB 3.34Å; I8-N12 PolarHBondContact O-N 2.74Å; I8-N12 PolarHBondContact O-ND2 3.33Å; V9-N12 CarbonylContact O-C 3.54Å; V9-N12 PolarHBondContact O-N 3.03Å; L10-N12 VanDerWaalsContact C-N 3.35Å; N12-N16 WeakPolarHBondContact O-CB 3.45Å; N12-N16 PolarHBondContact O-N 2.98Å; N12-N16 PolarHBondContact O-ND2 2.9Å
13T61.6Low59.5Low0 Ų037.5 Ų37.50%020%0.197CC..Hα-helixtrans-65.6-47.8178.5-64.70000110.9V9 L10 E11 N16 L17 L71V9-T13 VanDerWaalsContact O-CB 3.23Å; V9-T13 WeakPolarHBondContact O-CB 3.49Å; V9-T13 PolarHBondContact O-N 2.94Å; V9-T13 PolarHBondContact O-OG1 3.44Å; L10-T13 WeakPolarHBondContact O-CB 3.28Å; L10-T13 PolarHBondContact O-N 2.99Å; L10-T13 VanDerWaalsContact O-N 3.16Å; E11-T13 VanDerWaalsContact C-N 3.29Å; E11-T13 PolarHBondContact O-N 2.81Å; T13-N16 WeakPolarHBondContact O-CB 3.49Å; T13-N16 PolarHBondContact O-N 2.84Å; T13-L17 HydrophobicContact CG2-CD1 3.94Å; T13-L17 WeakPolarHBondContact O-CD1 3.41Å; T13-L17 VanDerWaalsContact O-CG 3.22Å; T13-L17 WeakPolarHBondContact O-CG 3.29Å; T13-L17 PolarHBondContact O-N 3.16Å; T13-L71 HydrophobicContact CG2-CD1 3.41Å; T13-L71 VanDerWaalsContact CG2-CD1 3.41Å
14V60.3Low60.1Low2 Ų236.8 Ų36.81%0.01219%0.193CC..Hα-helixtrans-65.5-44.5176.5174.20000111L10 E11 N16 L17 M18 L177 I181 L236 D239 L240L10-V14 WeakPolarHBondContact O-CG2 3.46Å; L10-V14 PolarHBondContact O-N 3.43Å; E11-V14 PolarHBondContact O-N 2.58Å; V14-N16 VanDerWaalsContact C-N 3.28Å; V14-N16 PolarHBondContact O-N 3.07Å; V14-L17 PolarHBondContact O-N 3.42Å; V14-L17 VanDerWaalsContact O-N 3.1Å; V14-M18 WeakPolarHBondContact O-CG 3.48Å; V14-M18 PolarHBondContact O-N 3.42Å; V14-L177 HydrophobicContact CG2-CD2 4.28Å; V14-I181 HydrophobicContact CG2-CD1 3.97Å; V14-L236 HydrophobicContact CB-CD2 3.67Å; V14-L236 HydrophobicContact CG1-CD2 3.77Å; V14-L236 HydrophobicContact CG2-CD2 3.86Å; V14-D239 HydrophobicContact CG1-CB 4.43Å; V14-L240 HydrophobicContact CG1-CD2 4.27Å; V14-L240 HydrophobicContact CG1-CG 4.24Å; V14-L240 HydrophobicContact CG2-CD1 4.28Å; V14-L240 HydrophobicContact CG2-CD2 4.42Å; V14-L240 HydrophobicContact CG2-CG 4.42Å
15S65.1Low60.4Low71 Ų7140.3 Ų40.350%0.49721%0.206SC..Hα-helixtrans-59.2-40.3174.3178.80000111.9E11 M18 A19E11-S15 WeakPolarHBondContact O-CB 3.3Å; E11-S15 PolarHBondContact O-N 2.66Å; S15-M18 WeakPolarHBondContact O-CB 3.42Å; S15-M18 PolarHBondContact O-N 3.01Å; S15-A19 PolarHBondContact O-N 2.08Å
16N64.3Low60.3Low38 Ų3848.9 Ų48.920%0.20324%0.235CC..Hα-helixtrans-62.8-48.3173.1-78.4-21.6000110.3N12 T13 V14 M18 A19 S20 F67 H70N12-N16 WeakPolarHBondContact O-CB 3.45Å; N12-N16 PolarHBondContact O-N 2.98Å; N12-N16 PolarHBondContact O-ND2 2.9Å; T13-N16 WeakPolarHBondContact O-CB 3.49Å; T13-N16 PolarHBondContact O-N 2.84Å; V14-N16 VanDerWaalsContact C-N 3.28Å; V14-N16 PolarHBondContact O-N 3.07Å; N16-M18 VanDerWaalsContact C-N 3.32Å; N16-M18 PolarHBondContact O-N 2.95Å; N16-A19 CarbonylContact O-C 3.6Å; N16-A19 WeakPolarHBondContact O-CA 3.15Å; N16-A19 VanDerWaalsContact O-CB 3.29Å; N16-A19 WeakPolarHBondContact O-CB 3.41Å; N16-A19 PolarHBondContact O-N 3.04Å; N16-S20 PolarHBondContact O-N 2.62Å; N16-F67 HydrophobicContact CB-CE2 3.48Å; N16-F67 VanDerWaalsContact CB-CE2 3.48Å; N16-F67 HydrophobicContact CB-CZ 3.77Å; N16-F67 WeakPolarHBondContact O-CE2 3.21Å; N16-F67 WeakPolarHBondContact O-CZ 3.14Å; N16-H70 PolarHBondContact ND2-CE1 3.02Å; N16-H70 PolarHBondContact ND2-ND1 2.83Å
17L59.4Low60.1Low1 Ų150.8 Ų50.81%0.00524%0.242CC..Hα-helixtrans-61.9-38.8178.5-69157.4000112.7T13 V14 A19 S20 S21 F67 L71 M170 F173 L177T13-L17 HydrophobicContact CG2-CD1 3.94Å; T13-L17 WeakPolarHBondContact O-CD1 3.41Å; T13-L17 VanDerWaalsContact O-CG 3.22Å; T13-L17 WeakPolarHBondContact O-CG 3.29Å; T13-L17 PolarHBondContact O-N 3.16Å; V14-L17 PolarHBondContact O-N 3.42Å; V14-L17 VanDerWaalsContact O-N 3.1Å; L17-A19 VanDerWaalsContact C-N 3.28Å; L17-A19 PolarHBondContact O-N 3.25Å; L17-S20 PolarHBondContact O-N 3.27Å; L17-S21 WeakPolarHBondContact O-CB 3.38Å; L17-S21 PolarHBondContact O-N 2.76Å; L17-F67 HydrophobicContact CD2-CE1 4.42Å; L17-F67 HydrophobicContact CD2-CZ 4.43Å; L17-L71 HydrophobicContact CD2-CD2 4.07Å; L17-M170 HydrophobicContact CD2-CE 4.25Å; L17-F173 HydrophobicContact CD1-CD1 4.24Å; L17-F173 HydrophobicContact CD1-CE1 3.52Å; L17-F173 HydrophobicContact CD1-CZ 4.49Å; L17-F173 HydrophobicContact CD2-CD1 3.59Å; L17-F173 HydrophobicContact CD2-CE1 3.34Å; L17-F173 HydrophobicContact CD2-CZ 4.33Å; L17-F173 HydrophobicContact CG-CE1 4Å; L17-L177 HydrophobicContact CD1-CD2 3.15Å
18M61.2Low59.6Low23 Ų2351.4 Ų51.411%0.11325%0.246CC..Hα-helixtrans-56.8-44.5169.7-70.2-71.4-52.700110.5V14 S15 N16 R22 D239 I243V14-M18 WeakPolarHBondContact O-CG 3.48Å; V14-M18 PolarHBondContact O-N 3.42Å; S15-M18 WeakPolarHBondContact O-CB 3.42Å; S15-M18 PolarHBondContact O-N 3.01Å; N16-M18 VanDerWaalsContact C-N 3.32Å; N16-M18 PolarHBondContact O-N 2.95Å; M18-R22 VanDerWaalsContact O-CB 3.22Å; M18-R22 WeakPolarHBondContact O-CB 3.46Å; M18-R22 WeakPolarHBondContact O-CD 3.4Å; M18-R22 WeakPolarHBondContact O-CG 3.27Å; M18-R22 PolarHBondContact O-N 3.4Å; M18-D239 HydrophobicContact SD-CB 4.21Å; M18-I243 HydrophobicContact CB-CD1 4.35Å; M18-I243 HydrophobicContact CE-CG1 4.16Å; M18-I243 HydrophobicContact CG-CD1 3.72Å; M18-I243 HydrophobicContact CG-CG1 4.26Å; M18-I243 HydrophobicContact SD-CD1 3.16Å; M18-I243 WeakPolarHBondContact SD-CD1 3.45Å; M18-I243 HydrophobicContact SD-CG1 3.15Å; M18-I243 WeakPolarHBondContact SD-CG1 3.36Å
19A62.6Low58.9Low41 Ų4147.7 Ų47.734%0.33923%0.227SC..Hα-helixtrans-64.6-39.317700000112S15 N16 L17 R22 L23S15-A19 PolarHBondContact O-N 2.08Å; N16-A19 CarbonylContact O-C 3.6Å; N16-A19 WeakPolarHBondContact O-CA 3.15Å; N16-A19 VanDerWaalsContact O-CB 3.29Å; N16-A19 WeakPolarHBondContact O-CB 3.41Å; N16-A19 PolarHBondContact O-N 3.04Å; L17-A19 VanDerWaalsContact C-N 3.28Å; L17-A19 PolarHBondContact O-N 3.25Å; A19-R22 CarbonylContact O-C 3.51Å; A19-R22 PolarHBondContact O-N 3.11Å; A19-L23 WeakPolarHBondContact O-CB 2.88Å; A19-L23 WeakPolarHBondContact O-CD1 2.92Å; A19-L23 VanDerWaalsContact O-CG 3.25Å; A19-L23 WeakPolarHBondContact O-CG 3.39Å; A19-L23 PolarHBondContact O-N 3.32Å
20S60.5Low58Low0 Ų052.3 Ų52.30%025%0.252CS..Hα-helixtrans-68.3-48.1175.7177.90000112.8N16 L17 R22 L23 I24 F67N16-S20 PolarHBondContact O-N 2.62Å; L17-S20 PolarHBondContact O-N 3.27Å; S20-R22 PolarHBondContact O-N 3.07Å; S20-L23 CarbonylContact O-C 3.33Å; S20-L23 WeakPolarHBondContact O-CA 3.3Å; S20-L23 WeakPolarHBondContact O-CB 3.45Å; S20-L23 PolarHBondContact O-N 3.34Å; S20-I24 VanDerWaalsContact O-CG1 3.31Å; S20-I24 WeakPolarHBondContact O-CG1 3.44Å; S20-I24 PolarHBondContact O-N 2.72Å; S20-F67 VanDerWaalsContact CB-CZ 3.4Å
21S57.8Low57.2Low5 Ų558.8 Ų58.84%0.03528%0.276CS..Hα-helixtrans-57.2-42.2172.3171.40000110.8L17 L23 I24 K25 I243L17-S21 WeakPolarHBondContact O-CB 3.38Å; L17-S21 PolarHBondContact O-N 2.76Å; S21-L23 PolarHBondContact O-N 2.89Å; S21-I24 PolarHBondContact O-N 2.91Å; S21-K25 WeakPolarHBondContact O-CB 3.34Å; S21-K25 PolarHBondContact O-N 3.05Å; S21-I243 WeakPolarHBondContact OG-CG2 3.45Å
22R61Low56.1Low142 Ų14254.6 Ų54.654%0.53626%0.257SS..Hα-helixtrans-64.9-34.8172.6-74.6171.1-176.6174.23.5112.8M18 A19 S20 K25 R26M18-R22 VanDerWaalsContact O-CB 3.22Å; M18-R22 WeakPolarHBondContact O-CB 3.46Å; M18-R22 WeakPolarHBondContact O-CD 3.4Å; M18-R22 WeakPolarHBondContact O-CG 3.27Å; M18-R22 PolarHBondContact O-N 3.4Å; A19-R22 CarbonylContact O-C 3.51Å; A19-R22 PolarHBondContact O-N 3.11Å; S20-R22 PolarHBondContact O-N 3.07Å; R22-K25 PolarHBondContact O-N 2.85Å; R22-R26 WeakPolarHBondContact O-CA 3.38Å; R22-R26 WeakPolarHBondContact O-CB 3.24Å; R22-R26 WeakPolarHBondContact O-CG 3.49Å; R22-R26 PolarHBondContact O-N 3.24Å
23L58.8Low54.9Low42 Ų4254.4 Ų54.422%0.2225%0.253CS..Hα-helixtrans-66.2-49.8174.1-80.5157.6000109.7A19 S20 S21 K25 R26 Y27A19-L23 WeakPolarHBondContact O-CB 2.88Å; A19-L23 WeakPolarHBondContact O-CD1 2.92Å; A19-L23 VanDerWaalsContact O-CG 3.25Å; A19-L23 WeakPolarHBondContact O-CG 3.39Å; A19-L23 PolarHBondContact O-N 3.32Å; S20-L23 CarbonylContact O-C 3.33Å; S20-L23 WeakPolarHBondContact O-CA 3.3Å; S20-L23 WeakPolarHBondContact O-CB 3.45Å; S20-L23 PolarHBondContact O-N 3.34Å; S21-L23 PolarHBondContact O-N 2.89Å; L23-K25 PolarHBondContact O-N 3.36Å; L23-R26 PolarHBondContact O-N 3.13Å; L23-Y27 HydrophobicContact CB-CD2 4.4Å; L23-Y27 HydrophobicContact CD2-CD2 3.98Å; L23-Y27 HydrophobicContact CD2-CE2 3.48Å; L23-Y27 VanDerWaalsContact CD2-CE2 3.48Å; L23-Y27 VanDerWaalsContact O-CB 3.3Å; L23-Y27 WeakPolarHBondContact O-CB 3.19Å; L23-Y27 WeakPolarHBondContact O-CD2 3.28Å; L23-Y27 PolarHBondContact O-N 3.28Å
24I56Low54.1Low27 Ų2758.6 Ų58.614%0.13828%0.278CS..Hα-helixtrans-55.2-42173.9-64.6166.8000110.2S20 S21 Y27 D28 M170S20-I24 VanDerWaalsContact O-CG1 3.31Å; S20-I24 WeakPolarHBondContact O-CG1 3.44Å; S20-I24 PolarHBondContact O-N 2.72Å; S21-I24 PolarHBondContact O-N 2.91Å; I24-Y27 CarbonylContact O-C 3.51Å; I24-D28 WeakPolarHBondContact O-CA 3.47Å; I24-D28 WeakPolarHBondContact O-CB 3.33Å; I24-D28 PolarHBondContact O-N 2.97Å; I24-M170 HydrophobicContact CD1-CE 4.43Å; I24-M170 HydrophobicContact CD1-CG 3.88Å; I24-M170 HydrophobicContact CD1-SD 4.4Å
25K55.8Low53.4Low97 Ų9760.4 Ų60.442%0.42229%0.286SS..Hα-helixtrans-75.9-35.9178-169.1177.7-178.8177.30114.5S21 R22 L23 D28 H246S21-K25 WeakPolarHBondContact O-CB 3.34Å; S21-K25 PolarHBondContact O-N 3.05Å; R22-K25 PolarHBondContact O-N 2.85Å; L23-K25 PolarHBondContact O-N 3.36Å; K25-D28 WeakPolarHBondContact O-CB 3.48Å; K25-D28 PolarHBondContact O-N 3.34Å; K25-H246 PolarHBondContact NZ-CD2 3.16Å
26R53.4Low52.2Low206 Ų20659.2 Ų59.278%0.77727%0.274SS*.Hα-helixtrans-72.9-36.6177-83.3179.3178-174.30.9111R22 L23 D28R22-R26 WeakPolarHBondContact O-CA 3.38Å; R22-R26 WeakPolarHBondContact O-CB 3.24Å; R22-R26 WeakPolarHBondContact O-CG 3.49Å; R22-R26 PolarHBondContact O-N 3.24Å; L23-R26 PolarHBondContact O-N 3.13Å; R26-D28 VanDerWaalsContact C-N 3.28Å
27Y53.5Low51Low62 Ų6263.7 Ų63.724%0.24329%0.294CS..SBendtrans-91.86173.9-66.3-65.7000112.8L23 I24 L29 V60 E63L23-Y27 HydrophobicContact CB-CD2 4.4Å; L23-Y27 HydrophobicContact CD2-CD2 3.98Å; L23-Y27 HydrophobicContact CD2-CE2 3.48Å; L23-Y27 VanDerWaalsContact CD2-CE2 3.48Å; L23-Y27 VanDerWaalsContact O-CB 3.3Å; L23-Y27 WeakPolarHBondContact O-CB 3.19Å; L23-Y27 WeakPolarHBondContact O-CD2 3.28Å; L23-Y27 PolarHBondContact O-N 3.28Å; I24-Y27 CarbonylContact O-C 3.51Å; Y27-L29 PolarHBondContact O-N 3.04Å; Y27-V60 HydrophobicContact CD1-CG2 3.59Å; Y27-V60 HydrophobicContact CD2-CG1 4.24Å; Y27-V60 HydrophobicContact CD2-CG2 3.93Å; Y27-V60 HydrophobicContact CE1-CG2 3.88Å; Y27-V60 HydrophobicContact CE2-CG2 4.17Å; Y27-V60 HydrophobicContact CG-CG1 4.28Å; Y27-V60 HydrophobicContact CG-CG2 3.61Å; Y27-E63 WeakPolarHBondContact CE2-OE2 3.5Å; Y27-E63 PolarHBondContact OH-OE1 3.09Å; Y27-E63 PolarHBondContact OH-OE2 2.88Å
28D47.2Very low49.9Very low42 Ų4269.7 Ų69.723%0.22533%0.325CS..  trans-52.4142.9-177.2-150.4-9.9000110.3I24 K25 R26 N30 R31I24-D28 WeakPolarHBondContact O-CA 3.47Å; I24-D28 WeakPolarHBondContact O-CB 3.33Å; I24-D28 PolarHBondContact O-N 2.97Å; K25-D28 WeakPolarHBondContact O-CB 3.48Å; K25-D28 PolarHBondContact O-N 3.34Å; R26-D28 VanDerWaalsContact C-N 3.28Å; D28-N30 PolarHBondContact O-N 2.87Å; D28-R31 PolarHBondContact O-N 3.49Å; D28-R31 VanDerWaalsContact O-N 3.1Å
29L48.1Very low49.1Very low7 Ų771.6 Ų71.64%0.03734%0.338CS..THydrogen-bonded Turntrans-58.5-7.7-164.7-79.7140.7000114.5Y27 R31 L32 K33 I163 Y251Y27-L29 PolarHBondContact O-N 3.04Å; L29-R31 PolarHBondContact O-N 2.96Å; L29-L32 HydrophobicContact CD2-CB 3.98Å; L29-L32 HydrophobicContact CD2-CD1 3.98Å; L29-L32 CarbonylContact O-C 3.57Å; L29-L32 PolarHBondContact O-N 3.46Å; L29-K33 WeakPolarHBondContact O-CA 3.27Å; L29-K33 WeakPolarHBondContact O-CB 3.43Å; L29-K33 PolarHBondContact O-N 3.07Å; L29-I163 HydrophobicContact CD1-CB 3.95Å; L29-I163 HydrophobicContact CD1-CD1 3.38Å; L29-I163 HydrophobicContact CD1-CG1 4.19Å; L29-I163 HydrophobicContact CD1-CG2 3.43Å; L29-I163 VanDerWaalsContact CD1-CG2 3.43Å; L29-I163 HydrophobicContact CD2-CD1 3.23Å; L29-I163 HydrophobicContact CG-CD1 3.42Å; L29-I163 VanDerWaalsContact CG-CD1 3.42Å; L29-Y251 HydrophobicContact CD1-CD2 4.19Å; L29-Y251 HydrophobicContact CD1-CE2 3.41Å; L29-Y251 VanDerWaalsContact CD1-CE2 3.41Å; L29-Y251 HydrophobicContact CD2-CE2 4.25Å; L29-Y251 HydrophobicContact CG-CE2 4.28Å
30N41.1Very low48.1Very low97 Ų9775.2 Ų75.252%0.51936%0.358SS..Hα-helixtrans-56.6-36.3169.6-78.5-18.4000111.3D28 V34 K250D28-N30 PolarHBondContact O-N 2.87Å; N30-V34 WeakPolarHBondContact O-CB 3.13Å; N30-V34 WeakPolarHBondContact O-CG2 3.26Å; N30-V34 PolarHBondContact O-N 3.37Å; N30-K250 PolarHBondContact OD1-NZ 3.01Å
31R44.6Very low47Very low138 Ų13882.7 Ų82.752%0.52140%0.395SS..Hα-helixtrans-72.8-45.2174-166.3173.7178.1162.56.6112D28 L29 K33 E35 R56D28-R31 PolarHBondContact O-N 3.49Å; D28-R31 VanDerWaalsContact O-N 3.1Å; L29-R31 PolarHBondContact O-N 2.96Å; R31-K33 VanDerWaalsContact C-N 3.33Å; R31-K33 PolarHBondContact O-N 2.93Å; R31-E35 WeakPolarHBondContact CG-OE1 3.33Å; R31-E35 IonicContact NE-OE1 3.66Å; R31-E35 PolarHBondContact NE-OE1 2.94Å; R31-E35 WeakPolarHBondContact O-CB 3.42Å; R31-E35 WeakPolarHBondContact O-CG 3.49Å; R31-E35 PolarHBondContact O-N 2.74Å; R31-R56 VanDerWaalsContact NH1-NH2 3.15Å
32L40Very low45.9Very low30 Ų3090.5 Ų90.516%0.15743%0.428CS..Hα-helixtrans-61.7-38.7176-84.8154.2000112.3L29 I36L29-L32 HydrophobicContact CD2-CB 3.98Å; L29-L32 HydrophobicContact CD2-CD1 3.98Å; L29-L32 CarbonylContact O-C 3.57Å; L29-L32 PolarHBondContact O-N 3.46Å; L32-I36 WeakPolarHBondContact O-CB 2.98Å; L32-I36 VanDerWaalsContact O-CD1 3.26Å; L32-I36 WeakPolarHBondContact O-CD1 3.26Å; L32-I36 WeakPolarHBondContact O-CG1 3.35Å; L32-I36 PolarHBondContact O-N 3.01Å
33K40.7Very low45.3Very low72 Ų7289 Ų8931%0.31344%0.437SS..Hα-helixtrans-77.3-45.7-177.6-165.2-175.1-172.6-158.30112L29 R31 E35 I36 E37L29-K33 WeakPolarHBondContact O-CA 3.27Å; L29-K33 WeakPolarHBondContact O-CB 3.43Å; L29-K33 PolarHBondContact O-N 3.07Å; R31-K33 VanDerWaalsContact C-N 3.33Å; R31-K33 PolarHBondContact O-N 2.93Å; K33-E35 PolarHBondContact O-N 3.35Å; K33-I36 PolarHBondContact O-N 2.98Å; K33-I36 VanDerWaalsContact O-N 3.1Å; K33-E37 WeakPolarHBondContact CE-OE1 3.41Å; K33-E37 HydrophobicContact CG-CG 4.41Å; K33-E37 IonicContact NZ-OE1 3.76Å; K33-E37 WeakPolarHBondContact O-CB 3.37Å; K33-E37 WeakPolarHBondContact O-CG 3.36Å; K33-E37 PolarHBondContact O-N 3.36Å
34V45.2Very low44.9Very low87 Ų8790.3 Ų90.353%0.52745%0.447SS..Hα-helixtrans-58.8-36.6171.7168.20000109.9N30N30-V34 WeakPolarHBondContact O-CB 3.13Å; N30-V34 WeakPolarHBondContact O-CG2 3.26Å; N30-V34 PolarHBondContact O-N 3.37Å
35E44.7Very low44.6Very low40 Ų4095.3 Ų95.319%0.18747%0.473CS..Hα-helixtrans-71.5-44.8174.1-71.1179.6-164.700110.9R31 K33 E37 L38 R53R31-E35 WeakPolarHBondContact CG-OE1 3.33Å; R31-E35 IonicContact NE-OE1 3.66Å; R31-E35 PolarHBondContact NE-OE1 2.94Å; R31-E35 WeakPolarHBondContact O-CB 3.42Å; R31-E35 WeakPolarHBondContact O-CG 3.49Å; R31-E35 PolarHBondContact O-N 2.74Å; K33-E35 PolarHBondContact O-N 3.35Å; E35-E37 PolarHBondContact O-N 3.3Å; E35-L38 PolarHBondContact O-N 3.23Å; E35-R53 PolarHBondContact O-NH1 3.3Å; E35-R53 PolarHBondContact O-NH2 3.37Å; E35-R53 IonicContact OE2-NE 3.42Å
36I41.2Very low44.4Very low47 Ų4791.9 Ų91.924%0.24146%0.463CS..Hα-helixtrans-59.9-39.4177.2-73.8159.4000113L32 K33 L38L32-I36 WeakPolarHBondContact O-CB 2.98Å; L32-I36 VanDerWaalsContact O-CD1 3.26Å; L32-I36 WeakPolarHBondContact O-CD1 3.26Å; L32-I36 WeakPolarHBondContact O-CG1 3.35Å; L32-I36 PolarHBondContact O-N 3.01Å; K33-I36 PolarHBondContact O-N 2.98Å; K33-I36 VanDerWaalsContact O-N 3.1Å; I36-L38 PolarHBondContact O-N 2.85Å
37E38.6Very low44.3Very low131 Ų13185.7 Ų85.761%0.61244%0.443SS*.Hα-helixtrans-69.1-17.3-178-75.6173.9-178.100113.3K33 E35 T39K33-E37 WeakPolarHBondContact CE-OE1 3.41Å; K33-E37 HydrophobicContact CG-CG 4.41Å; K33-E37 IonicContact NZ-OE1 3.76Å; K33-E37 WeakPolarHBondContact O-CB 3.37Å; K33-E37 WeakPolarHBondContact O-CG 3.36Å; K33-E37 PolarHBondContact O-N 3.36Å; E35-E37 PolarHBondContact O-N 3.3Å; E37-T39 PolarHBondContact O-N 3.27Å
38L36.8Very low44.5Very low127 Ų12788.6 Ų88.667%0.66546%0.462SS*.  trans-99.169.3178.7-74.6164.1000111.8E35 I36E35-L38 PolarHBondContact O-N 3.23Å; I36-L38 PolarHBondContact O-N 2.85Å
39T43.8Very low45.1Very low63 Ų6388.2 Ų88.239%0.38746%0.461SS..  trans-152.5101.116434.30000115.2E37 A46E37-T39 PolarHBondContact O-N 3.27Å; T39-A46 HydrophobicContact CG2-CB 3.41Å; T39-A46 VanDerWaalsContact CG2-CB 3.41Å
40P41.6Very low45.7Very low117 Ų11788.8 Ų88.876%0.7646%0.464SS*.  trans-114.8133.4149.632-19.5000111.1
41M37Very low46.6Very low157 Ų15789.5 Ų89.577%0.77346%0.46SS*.SBendtrans121.9158.7159.6-66.8-97167.500118.8T44M41-T44 PolarHBondContact O-OG1 3.24Å
42K35.1Very low47.5Very low170 Ų17089.2 Ų89.274%0.73946%0.46SS*.THydrogen-bonded Turntrans-78.1160.8-159.8-63.9171.7171.3177.10115.8T44K42-T44 VanDerWaalsContact C-OG1 3.25Å; K42-T44 PolarHBondContact N-OG1 2.81Å; K42-T44 WeakPolarHBondContact O-CA 3.41Å; K42-T44 WeakPolarHBondContact O-CB 3.42Å; K42-T44 WeakPolarHBondContact O-CG2 3.49Å; K42-T44 PolarHBondContact O-N 3.21Å; K42-T44 PolarHBondContact O-OG1 3.1Å
43P48.8Very low48.8Very low109 Ų10988.8 Ų88.871%0.70846%0.456SS*.THydrogen-bonded Turn-47.587.2-127.336.4-29.8000110.6E47P43-E47 WeakPolarHBondContact CA-OE1 3.2Å
44T49Very low49.9Very low70 Ų7085.7 Ų85.743%0.42944%0.443SS..SBendtrans-132.3168-164.627.90000107.7M41 K42 A46 E47M41-T44 PolarHBondContact O-OG1 3.24Å; K42-T44 VanDerWaalsContact C-OG1 3.25Å; K42-T44 PolarHBondContact N-OG1 2.81Å; K42-T44 WeakPolarHBondContact O-CA 3.41Å; K42-T44 WeakPolarHBondContact O-CB 3.42Å; K42-T44 WeakPolarHBondContact O-CG2 3.49Å; K42-T44 PolarHBondContact O-N 3.21Å; K42-T44 PolarHBondContact O-OG1 3.1Å; T44-A46 CarbonylContact O-C 3.59Å; T44-A46 VanDerWaalsContact O-CA 3.3Å; T44-A46 WeakPolarHBondContact O-CA 3.39Å; T44-A46 WeakPolarHBondContact O-CB 3.38Å; T44-A46 PolarHBondContact O-N 2.89Å; T44-E47 PolarHBondContact O-N 3.3Å
45L51.2Low50.9Low132 Ų13284.4 Ų84.469%0.69143%0.433SS*.THydrogen-bonded Turntrans-7-47168.7-171.764.8000116.8E47 L48 T49L45-E47 VanDerWaalsContact C-N 3.3Å; L45-E47 PolarHBondContact O-N 3.31Å; L45-L48 PolarHBondContact O-N 2.78Å; L45-T49 VanDerWaalsContact O-CB 3.23Å; L45-T49 WeakPolarHBondContact O-CB 3.23Å; L45-T49 PolarHBondContact O-N 3.17Å; L45-T49 PolarHBondContact O-OG1 2.99Å
46A51.1Low52.1Low25 Ų2585.1 Ų85.121%0.20743%0.434CS..Hα-helixtrans-36.9-47.716600000116.3T39 T44 H50T39-A46 HydrophobicContact CG2-CB 3.41Å; T39-A46 VanDerWaalsContact CG2-CB 3.41Å; T44-A46 CarbonylContact O-C 3.59Å; T44-A46 VanDerWaalsContact O-CA 3.3Å; T44-A46 WeakPolarHBondContact O-CA 3.39Å; T44-A46 WeakPolarHBondContact O-CB 3.38Å; T44-A46 PolarHBondContact O-N 2.89Å; A46-H50 VanDerWaalsContact O-CB 3.25Å; A46-H50 WeakPolarHBondContact O-CB 3.09Å; A46-H50 PolarHBondContact O-N 3.27Å
47E51.6Low53.2Low76 Ų7683.2 Ų83.236%0.35542%0.424SS..Hα-helixtrans-71.5-48.8-177.4-73.1172.2-166.900112.3P43 T44 L45 T49 H50 Y51 K148P43-E47 WeakPolarHBondContact CA-OE1 3.2Å; T44-E47 PolarHBondContact O-N 3.3Å; L45-E47 VanDerWaalsContact C-N 3.3Å; L45-E47 PolarHBondContact O-N 3.31Å; E47-T49 PolarHBondContact O-N 3.37Å; E47-H50 PolarHBondContact O-N 2.96Å; E47-Y51 WeakPolarHBondContact O-CB 3.48Å; E47-Y51 PolarHBondContact O-N 3.33Å; E47-K148 WeakPolarHBondContact OE1-CE 3.37Å; E47-K148 IonicContact OE1-NZ 3.94Å; E47-K148 PolarHBondContact OE1-NZ 2.79Å
48L57.5Low54.6Low124 Ų12478.2 Ų78.265%0.64940%0.401SS*.Hα-helixtrans-58.9-41.5173.6-17373.1000110.3L45 Y52L45-L48 PolarHBondContact O-N 2.78Å; L48-Y52 WeakPolarHBondContact O-CB 3.39Å; L48-Y52 PolarHBondContact O-N 3.47Å
49T59.6Low56.2Low34 Ų3476.9 Ų76.921%0.20939%0.392CS..Hα-helixtrans-67.6-40.8178.6-49.50000110.7L45 E47 Y52 R53L45-T49 VanDerWaalsContact O-CB 3.23Å; L45-T49 WeakPolarHBondContact O-CB 3.23Å; L45-T49 PolarHBondContact O-N 3.17Å; L45-T49 PolarHBondContact O-OG1 2.99Å; E47-T49 PolarHBondContact O-N 3.37Å; T49-Y52 PolarHBondContact O-N 2.97Å; T49-R53 WeakPolarHBondContact O-CB 3.48Å; T49-R53 WeakPolarHBondContact O-CG 3.35Å; T49-R53 PolarHBondContact O-N 3.08Å
50H59.6Low57.3Low19 Ų1974.8 Ų74.89%0.08838%0.379CS..Hα-helixtrans-68.7-42.8176.8-174.176000112.4A46 E47 Y52 R53 L54 R138 L152A46-H50 VanDerWaalsContact O-CB 3.25Å; A46-H50 WeakPolarHBondContact O-CB 3.09Å; A46-H50 PolarHBondContact O-N 3.27Å; E47-H50 PolarHBondContact O-N 2.96Å; H50-Y52 VanDerWaalsContact C-N 3.35Å; H50-R53 WeakPolarHBondContact O-CB 3.38Å; H50-R53 PolarHBondContact O-N 2.93Å; H50-L54 WeakPolarHBondContact NE2-CD1 3.47Å; H50-L54 WeakPolarHBondContact O-CG 3.17Å; H50-L54 PolarHBondContact O-N 3.45Å; H50-R138 PolarHBondContact CD2-NH1 2.8Å; H50-R138 VanDerWaalsContact NE2-CZ 3.31Å; H50-R138 PolarHBondContact NE2-NH1 2.89Å; H50-R138 PolarHBondContact NE2-NH2 3Å; H50-L152 WeakPolarHBondContact CE1-CD1 3.27Å; H50-L152 WeakPolarHBondContact ND1-CD1 3.32Å
51Y61.1Low58.6Low111 Ų11169.2 Ų69.244%0.43534%0.343SS..Hα-helixtrans-59.7-46.1172.8178-96.5000111.3E47 R53 L54 N55 I135E47-Y51 WeakPolarHBondContact O-CB 3.48Å; E47-Y51 PolarHBondContact O-N 3.33Å; Y51-R53 VanDerWaalsContact C-N 3.32Å; Y51-R53 PolarHBondContact O-N 3.38Å; Y51-L54 PolarHBondContact O-N 2.89Å; Y51-N55 WeakPolarHBondContact CE1-ND2 3.33Å; Y51-N55 PolarHBondContact O-N 3.24Å; Y51-N55 PolarHBondContact OH-ND2 3.31Å; Y51-I135 HydrophobicContact CD2-CG2 4.12Å; Y51-I135 HydrophobicContact CE2-CG2 3.56Å
52Y63.7Low60.2Low133 Ų13363.6 Ų63.652%0.52232%0.316SS..Hα-helixtrans-59.2-41.7173.8-179.1-96.2000111.9L48 T49 H50 N55 R56L48-Y52 WeakPolarHBondContact O-CB 3.39Å; L48-Y52 PolarHBondContact O-N 3.47Å; T49-Y52 PolarHBondContact O-N 2.97Å; H50-Y52 VanDerWaalsContact C-N 3.35Å; Y52-N55 PolarHBondContact O-N 3.18Å; Y52-R56 VanDerWaalsContact O-CB 3.25Å; Y52-R56 WeakPolarHBondContact O-CB 3.16Å; Y52-R56 PolarHBondContact O-N 3.13Å
53R66.3Low62Low20 Ų2058.2 Ų58.28%0.07529%0.293CS..Hα-helixtrans-62.6-44.7174.8-75.3167.6-163.1172.37.4112.3E35 T49 H50 Y51 R56 L57E35-R53 PolarHBondContact O-NH1 3.3Å; E35-R53 PolarHBondContact O-NH2 3.37Å; E35-R53 IonicContact OE2-NE 3.42Å; T49-R53 WeakPolarHBondContact O-CB 3.48Å; T49-R53 WeakPolarHBondContact O-CG 3.35Å; T49-R53 PolarHBondContact O-N 3.08Å; H50-R53 WeakPolarHBondContact O-CB 3.38Å; H50-R53 PolarHBondContact O-N 2.93Å; Y51-R53 VanDerWaalsContact C-N 3.32Å; Y51-R53 PolarHBondContact O-N 3.38Å; R53-R56 PolarHBondContact O-N 2.86Å; R53-L57 VanDerWaalsContact O-CB 3.27Å; R53-L57 WeakPolarHBondContact O-CB 3.38Å; R53-L57 PolarHBondContact O-N 3.19Å
54L65.2Low62.9Low8 Ų853.2 Ų53.24%0.04226%0.261CS..Hα-helixtrans-65.9-40.8177.8-69-178.7000111.5H50 Y51 L57 I58 I131 I135H50-L54 WeakPolarHBondContact NE2-CD1 3.47Å; H50-L54 WeakPolarHBondContact O-CG 3.17Å; H50-L54 PolarHBondContact O-N 3.45Å; Y51-L54 PolarHBondContact O-N 2.89Å; L54-L57 HydrophobicContact CD2-CD2 4.4Å; L54-L57 WeakPolarHBondContact O-CB 3.41Å; L54-L57 PolarHBondContact O-N 2.89Å; L54-I58 WeakPolarHBondContact O-CG1 3.46Å; L54-I58 PolarHBondContact O-N 3.33Å; L54-I131 HydrophobicContact CB-CG2 4.23Å; L54-I131 HydrophobicContact CD2-CG2 4.18Å; L54-I135 HydrophobicContact CB-CD1 3.92Å; L54-I135 HydrophobicContact CB-CG1 4.09Å; L54-I135 HydrophobicContact CD1-CG1 3.91Å
55N66.4Low63.9Low59 Ų5952 Ų5232%0.31625%0.249SC..Hα-helixtrans-64.7-42.5174.3-84.1-18.5000112.2Y51 Y52 L57 I58 Q59Y51-N55 WeakPolarHBondContact CE1-ND2 3.33Å; Y51-N55 PolarHBondContact O-N 3.24Å; Y51-N55 PolarHBondContact OH-ND2 3.31Å; Y52-N55 PolarHBondContact O-N 3.18Å; N55-L57 VanDerWaalsContact C-N 3.28Å; N55-L57 PolarHBondContact O-N 2.92Å; N55-I58 WeakPolarHBondContact O-CB 3.41Å; N55-I58 PolarHBondContact O-N 2.86Å; N55-Q59 PolarHBondContact O-N 3.05Å
56R67.8Low65Low55 Ų5551 Ų5121%0.20824%0.24CC..Hα-helixtrans-64.3-37175.4-172.3174.1-177.6151.54111.5R31 Y52 R53 Q59 V60R31-R56 VanDerWaalsContact NH1-NH2 3.15Å; Y52-R56 VanDerWaalsContact O-CB 3.25Å; Y52-R56 WeakPolarHBondContact O-CB 3.16Å; Y52-R56 PolarHBondContact O-N 3.13Å; R53-R56 PolarHBondContact O-N 2.86Å; R56-Q59 WeakPolarHBondContact O-CB 3.35Å; R56-Q59 PolarHBondContact O-N 3.38Å; R56-V60 WeakPolarHBondContact O-CG2 3.16Å; R56-V60 PolarHBondContact O-N 3.01Å
57L66Low65.8Low8 Ų850.8 Ų50.84%0.04224%0.235CC..Hα-helixtrans-64.2-44.4172.8175.568.6000111.5R53 L54 N55 Q59 V60 I61 I131 L159R53-L57 VanDerWaalsContact O-CB 3.27Å; R53-L57 WeakPolarHBondContact O-CB 3.38Å; R53-L57 PolarHBondContact O-N 3.19Å; L54-L57 HydrophobicContact CD2-CD2 4.4Å; L54-L57 WeakPolarHBondContact O-CB 3.41Å; L54-L57 PolarHBondContact O-N 2.89Å; N55-L57 VanDerWaalsContact C-N 3.28Å; N55-L57 PolarHBondContact O-N 2.92Å; L57-Q59 PolarHBondContact O-N 3.07Å; L57-V60 PolarHBondContact O-N 3.46Å; L57-V60 VanDerWaalsContact O-N 3.14Å; L57-I61 HydrophobicContact CD1-CD1 4.32Å; L57-I61 HydrophobicContact CD1-CG1 4.47Å; L57-I61 HydrophobicContact CG-CD1 3.99Å; L57-I61 VanDerWaalsContact O-CG1 3.27Å; L57-I61 WeakPolarHBondContact O-CG1 3.4Å; L57-I61 PolarHBondContact O-N 3.23Å; L57-I131 HydrophobicContact CD2-CD1 3.4Å; L57-I131 VanDerWaalsContact CD2-CD1 3.4Å; L57-I131 HydrophobicContact CD2-CG1 4.16Å; L57-I131 HydrophobicContact CG-CD1 3.93Å; L57-L159 HydrophobicContact CD1-CD2 3.42Å; L57-L159 VanDerWaalsContact CD1-CD2 3.42Å; L57-L159 HydrophobicContact CD2-CD1 4.01Å; L57-L159 HydrophobicContact CD2-CD2 3.19Å; L57-L159 HydrophobicContact CD2-CG 3.74Å; L57-L159 HydrophobicContact CG-CD2 3.88Å
58I67.7Low66.6Low25 Ų2547.2 Ų47.213%0.12822%0.218CC..Hα-helixtrans-55.9-41.1172.4-73171.8000110.4L54 N55 I61 N62 I131 I135L54-I58 WeakPolarHBondContact O-CG1 3.46Å; L54-I58 PolarHBondContact O-N 3.33Å; N55-I58 WeakPolarHBondContact O-CB 3.41Å; N55-I58 PolarHBondContact O-N 2.86Å; I58-I61 PolarHBondContact O-N 3.22Å; I58-N62 WeakPolarHBondContact O-CB 3.33Å; I58-N62 VanDerWaalsContact O-CG 3.27Å; I58-N62 PolarHBondContact O-N 2.86Å; I58-N62 PolarHBondContact O-ND2 2.91Å; I58-I131 HydrophobicContact CD1-CG2 3.87Å; I58-I131 HydrophobicContact CG1-CB 4.23Å; I58-I131 HydrophobicContact CG1-CG2 3.69Å; I58-I135 HydrophobicContact CD1-CD1 3.46Å; I58-I135 VanDerWaalsContact CD1-CD1 3.46Å
59Q69.7Low67.3Low99 Ų9944.6 Ų44.646%0.46320%0.202SC..Hα-helixtrans-60.9-48.4175.6-175.9-173.8-13.500111.6N55 R56 L57 I61 N62 E63N55-Q59 PolarHBondContact O-N 3.05Å; R56-Q59 WeakPolarHBondContact O-CB 3.35Å; R56-Q59 PolarHBondContact O-N 3.38Å; L57-Q59 PolarHBondContact O-N 3.07Å; Q59-I61 VanDerWaalsContact C-N 3.28Å; Q59-I61 PolarHBondContact O-N 3.31Å; Q59-N62 PolarHBondContact O-N 2.93Å; Q59-N62 VanDerWaalsContact O-N 3.14Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.34Å; Q59-E63 PolarHBondContact NE2-OE1 2.99Å; Q59-E63 WeakPolarHBondContact O-CG 3.38Å; Q59-E63 PolarHBondContact O-N 3.33Å
60V67.5Low68Low19 Ų1946.8 Ų46.812%0.11521%0.21CC..Hα-helixtrans-60.3-40176.4174.40000111.3Y27 R56 L57 E63 N64Y27-V60 HydrophobicContact CD1-CG2 3.59Å; Y27-V60 HydrophobicContact CD2-CG1 4.24Å; Y27-V60 HydrophobicContact CD2-CG2 3.93Å; Y27-V60 HydrophobicContact CE1-CG2 3.88Å; Y27-V60 HydrophobicContact CE2-CG2 4.17Å; Y27-V60 HydrophobicContact CG-CG1 4.28Å; Y27-V60 HydrophobicContact CG-CG2 3.61Å; R56-V60 WeakPolarHBondContact O-CG2 3.16Å; R56-V60 PolarHBondContact O-N 3.01Å; L57-V60 PolarHBondContact O-N 3.46Å; L57-V60 VanDerWaalsContact O-N 3.14Å; V60-E63 PolarHBondContact O-N 3.37Å; V60-N64 WeakPolarHBondContact O-CB 3.37Å; V60-N64 PolarHBondContact O-N 2.75Å; V60-N64 PolarHBondContact O-ND2 3.39Å
61I68.1Low68.4Low0 Ų046 Ų460%021%0.206CC..Hα-helixtrans-63.9-42176-67.3170.4000111L57 I58 Q59 N64 Y65 C124 K128 I131 F162L57-I61 HydrophobicContact CD1-CD1 4.32Å; L57-I61 HydrophobicContact CD1-CG1 4.47Å; L57-I61 HydrophobicContact CG-CD1 3.99Å; L57-I61 VanDerWaalsContact O-CG1 3.27Å; L57-I61 WeakPolarHBondContact O-CG1 3.4Å; L57-I61 PolarHBondContact O-N 3.23Å; I58-I61 PolarHBondContact O-N 3.22Å; Q59-I61 VanDerWaalsContact C-N 3.28Å; Q59-I61 PolarHBondContact O-N 3.31Å; I61-N64 PolarHBondContact O-N 2.81Å; I61-Y65 VanDerWaalsContact O-CB 3.24Å; I61-Y65 WeakPolarHBondContact O-CB 3.15Å; I61-Y65 PolarHBondContact O-N 2.81Å; I61-C124 HydrophobicContact CG2-CB 4.29Å; I61-C124 WeakPolarHBondContact CG2-O 3.32Å; I61-K128 HydrophobicContact CG2-CB 3.95Å; I61-I131 HydrophobicContact CD1-CD1 3.19Å; I61-F162 HydrophobicContact CD1-CD1 4.36Å; I61-F162 HydrophobicContact CD1-CE1 3.75Å; I61-F162 HydrophobicContact CD1-CZ 4.09Å; I61-F162 HydrophobicContact CG1-CD1 4.48Å; I61-F162 HydrophobicContact CG1-CE1 3.45Å; I61-F162 VanDerWaalsContact CG1-CE1 3.45Å; I61-F162 HydrophobicContact CG1-CZ 3.66Å; I61-F162 HydrophobicContact CG2-CZ 4.48Å
62N71.5Confident68.8Low39 Ų3940.9 Ų40.921%0.20919%0.186CC..Hα-helixtrans-66.1-41176.5-72.5-30.1000111.9I58 Q59 Y65 H66 K128I58-N62 WeakPolarHBondContact O-CB 3.33Å; I58-N62 VanDerWaalsContact O-CG 3.27Å; I58-N62 PolarHBondContact O-N 2.86Å; I58-N62 PolarHBondContact O-ND2 2.91Å; Q59-N62 PolarHBondContact O-N 2.93Å; Q59-N62 VanDerWaalsContact O-N 3.14Å; N62-Y65 WeakPolarHBondContact O-CB 3.38Å; N62-Y65 PolarHBondContact O-N 2.89Å; N62-H66 PolarHBondContact O-CD2 3.16Å; N62-H66 PolarHBondContact O-N 3.28Å; N62-K128 VanDerWaalsContact OD1-CD 3.3Å; N62-K128 WeakPolarHBondContact OD1-CD 3.29Å; N62-K128 WeakPolarHBondContact OD1-CE 3.36Å; N62-K128 PolarHBondContact OD1-NZ 3.43Å
63E71.4Confident69.2Low58 Ų5838.4 Ų38.427%0.27118%0.182SC..Hα-helixtrans-61-46.4175.6-73.4174.4-162.400110.6Y27 Q59 V60 F67Y27-E63 WeakPolarHBondContact CE2-OE2 3.5Å; Y27-E63 PolarHBondContact OH-OE1 3.09Å; Y27-E63 PolarHBondContact OH-OE2 2.88Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.34Å; Q59-E63 PolarHBondContact NE2-OE1 2.99Å; Q59-E63 WeakPolarHBondContact O-CG 3.38Å; Q59-E63 PolarHBondContact O-N 3.33Å; V60-E63 PolarHBondContact O-N 3.37Å; E63-F67 VanDerWaalsContact O-CB 3.23Å; E63-F67 WeakPolarHBondContact O-CB 3.45Å; E63-F67 PolarHBondContact O-N 3.36Å
64N67.8Low69.3Low4 Ų439.3 Ų39.32%0.02119%0.187CC..Hα-helixtrans-64.7-40.2174.2-75.8-25.1000112.5V60 I61 F67 Y68V60-N64 WeakPolarHBondContact O-CB 3.37Å; V60-N64 PolarHBondContact O-N 2.75Å; V60-N64 PolarHBondContact O-ND2 3.39Å; I61-N64 PolarHBondContact O-N 2.81Å; N64-F67 WeakPolarHBondContact O-CB 3.45Å; N64-F67 PolarHBondContact O-N 3.35Å; N64-Y68 HydrophobicContact CB-CD2 4.4Å; N64-Y68 HydrophobicContact CB-CE2 4.03Å; N64-Y68 WeakPolarHBondContact O-CD2 2.87Å; N64-Y68 PolarHBondContact O-N 2.84Å
65Y71.9Confident69.4Low45 Ų4539.4 Ų39.418%0.17619%0.188CC..Hα-helixtrans-59.1-55.3177.2174.1-90.3000111.4I61 N62 F67 Y68 E69 I121 C124 E125I61-Y65 VanDerWaalsContact O-CB 3.24Å; I61-Y65 WeakPolarHBondContact O-CB 3.15Å; I61-Y65 PolarHBondContact O-N 2.81Å; N62-Y65 WeakPolarHBondContact O-CB 3.38Å; N62-Y65 PolarHBondContact O-N 2.89Å; Y65-F67 PolarHBondContact O-N 3.03Å; Y65-Y68 PolarHBondContact O-N 3.41Å; Y65-Y68 VanDerWaalsContact O-N 3.15Å; Y65-E69 WeakPolarHBondContact O-CB 3.22Å; Y65-E69 PolarHBondContact O-N 3.38Å; Y65-I121 HydrophobicContact CD2-CG2 4.32Å; Y65-I121 HydrophobicContact CE2-CG2 3.72Å; Y65-C124 HydrophobicContact CD2-CB 4.05Å; Y65-E125 HydrophobicContact CD2-CG 3.97Å; Y65-E125 HydrophobicContact CE2-CG 3.42Å; Y65-E125 VanDerWaalsContact CE2-CG 3.42Å; Y65-E125 VanDerWaalsContact CE2-OE1 3.25Å; Y65-E125 WeakPolarHBondContact CE2-OE1 3.44Å; Y65-E125 PolarHBondContact OH-OE1 3.39Å
66H72.9Confident69.5Low109 Ų10941.8 Ų41.851%0.50520%0.195SC..Hα-helixtrans-63.1-33.1-180-72.4-51.7000111.8N62 E69 H70N62-H66 PolarHBondContact O-CD2 3.16Å; N62-H66 PolarHBondContact O-N 3.28Å; H66-E69 IonicContact ND1-OE2 3.27Å; H66-E69 PolarHBondContact ND1-OE2 2.89Å; H66-H70 VanDerWaalsContact O-CB 3.28Å; H66-H70 WeakPolarHBondContact O-CB 3.26Å; H66-H70 PolarHBondContact O-N 3.1Å
67F68.9Low69.6Low22 Ų2245.3 Ų45.310%0.09621%0.209CC..Hα-helixtrans-60.4-53.5171.9175.2-90.1000112.2N16 L17 S20 E63 N64 Y65 E69 H70 L71N16-F67 HydrophobicContact CB-CE2 3.48Å; N16-F67 VanDerWaalsContact CB-CE2 3.48Å; N16-F67 HydrophobicContact CB-CZ 3.77Å; N16-F67 WeakPolarHBondContact O-CE2 3.21Å; N16-F67 WeakPolarHBondContact O-CZ 3.14Å; L17-F67 HydrophobicContact CD2-CE1 4.42Å; L17-F67 HydrophobicContact CD2-CZ 4.43Å; S20-F67 VanDerWaalsContact CB-CZ 3.4Å; E63-F67 VanDerWaalsContact O-CB 3.23Å; E63-F67 WeakPolarHBondContact O-CB 3.45Å; E63-F67 PolarHBondContact O-N 3.36Å; N64-F67 WeakPolarHBondContact O-CB 3.45Å; N64-F67 PolarHBondContact O-N 3.35Å; Y65-F67 PolarHBondContact O-N 3.03Å; F67-E69 VanDerWaalsContact C-N 3.34Å; F67-E69 PolarHBondContact O-N 2.73Å; F67-H70 PolarHBondContact O-N 3.48Å; F67-L71 HydrophobicContact CE1-CD2 4.27Å; F67-L71 WeakPolarHBondContact O-CB 3.38Å; F67-L71 PolarHBondContact O-N 2.71Å
68Y67.2Low69.5Low0 Ų045 Ų450%021%0.207CC..Hα-helixtrans-67.6-34.9-179.7-66.1-54.5000112.3N64 Y65 L71 I72 M120 L166 M170N64-Y68 HydrophobicContact CB-CD2 4.4Å; N64-Y68 HydrophobicContact CB-CE2 4.03Å; N64-Y68 WeakPolarHBondContact O-CD2 2.87Å; N64-Y68 PolarHBondContact O-N 2.84Å; Y65-Y68 PolarHBondContact O-N 3.41Å; Y65-Y68 VanDerWaalsContact O-N 3.15Å; Y68-L71 HydrophobicContact CD1-CD2 4.23Å; Y68-L71 WeakPolarHBondContact O-CB 3.28Å; Y68-L71 PolarHBondContact O-N 2.91Å; Y68-I72 WeakPolarHBondContact O-CG1 3.4Å; Y68-I72 PolarHBondContact O-N 3.46Å; Y68-M120 HydrophobicContact CD1-CB 4.33Å; Y68-M120 HydrophobicContact CD1-SD 3.43Å; Y68-M120 WeakPolarHBondContact CD1-SD 3.05Å; Y68-M120 HydrophobicContact CD2-CB 4.03Å; Y68-M120 HydrophobicContact CE1-CE 3.96Å; Y68-M120 HydrophobicContact CE1-CG 4.39Å; Y68-M120 HydrophobicContact CE1-SD 3.2Å; Y68-M120 WeakPolarHBondContact CE1-SD 3.42Å; Y68-M120 HydrophobicContact CE2-CB 4.29Å; Y68-M120 HydrophobicContact CE2-SD 4.33Å; Y68-M120 HydrophobicContact CG-CB 4.06Å; Y68-M120 HydrophobicContact CG-SD 4.12Å; Y68-L166 HydrophobicContact CE2-CD2 4.25Å; Y68-M170 HydrophobicContact CE1-SD 3.81Å; Y68-M170 PolarHBondContact OH-SD 3.24Å
69E73.4Confident69.4Low70 Ų7046 Ų4633%0.32721%0.211SC..Hα-helixtrans-59.8-48.8171.5-177.2-178-158.200111.1Y65 H66 F67 L71 I72 N73 I121Y65-E69 WeakPolarHBondContact O-CB 3.22Å; Y65-E69 PolarHBondContact O-N 3.38Å; H66-E69 IonicContact ND1-OE2 3.27Å; H66-E69 PolarHBondContact ND1-OE2 2.89Å; F67-E69 VanDerWaalsContact C-N 3.34Å; F67-E69 PolarHBondContact O-N 2.73Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.27Å; E69-I72 PolarHBondContact O-N 3.18Å; E69-N73 VanDerWaalsContact O-CG 3.27Å; E69-N73 PolarHBondContact O-N 2.84Å; E69-N73 PolarHBondContact O-ND2 3.47Å; E69-I121 HydrophobicContact CB-CD1 4.33Å
70H74.1Confident69.3Low80 Ų8044.4 Ų44.437%0.3721%0.208SC..Hα-helixtrans-59.7-44.8175.2-179.5-93.5000111.3N16 H66 F67 I72 N73 Q74N16-H70 PolarHBondContact ND2-CE1 3.02Å; N16-H70 PolarHBondContact ND2-ND1 2.83Å; H66-H70 VanDerWaalsContact O-CB 3.28Å; H66-H70 WeakPolarHBondContact O-CB 3.26Å; H66-H70 PolarHBondContact O-N 3.1Å; F67-H70 PolarHBondContact O-N 3.48Å; H70-I72 PolarHBondContact O-N 2.9Å; H70-N73 PolarHBondContact O-N 3.48Å; H70-Q74 VanDerWaalsContact CE1-CG 3.48Å; H70-Q74 WeakPolarHBondContact CE1-CG 3.49Å; H70-Q74 PolarHBondContact CE1-NE2 3.18Å; H70-Q74 PolarHBondContact NE2-NE2 3.46Å; H70-Q74 VanDerWaalsContact NE2-NE2 3.18Å; H70-Q74 WeakPolarHBondContact O-CG 3.45Å; H70-Q74 PolarHBondContact O-N 3.29Å
71L67Low69.1Low1 Ų144.2 Ų44.21%0.00521%0.207CC..Hα-helixtrans-58-46.3176.2-179.667.6000112T13 L17 F67 Y68 E69 N73 Q74 L75 F173T13-L71 HydrophobicContact CG2-CD1 3.41Å; T13-L71 VanDerWaalsContact CG2-CD1 3.41Å; L17-L71 HydrophobicContact CD2-CD2 4.07Å; F67-L71 HydrophobicContact CE1-CD2 4.27Å; F67-L71 WeakPolarHBondContact O-CB 3.38Å; F67-L71 PolarHBondContact O-N 2.71Å; Y68-L71 HydrophobicContact CD1-CD2 4.23Å; Y68-L71 WeakPolarHBondContact O-CB 3.28Å; Y68-L71 PolarHBondContact O-N 2.91Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.27Å; L71-N73 VanDerWaalsContact C-N 3.32Å; L71-N73 PolarHBondContact O-N 3.48Å; L71-Q74 PolarHBondContact O-N 2.89Å; L71-L75 HydrophobicContact CG-CD1 4.2Å; L71-L75 VanDerWaalsContact O-CG 3.31Å; L71-L75 WeakPolarHBondContact O-CG 3.31Å; L71-L75 PolarHBondContact O-N 2.88Å; L71-F173 HydrophobicContact CD1-CZ 4.29Å; L71-F173 HydrophobicContact CD2-CE1 4.04Å; L71-F173 HydrophobicContact CD2-CE2 4.02Å; L71-F173 HydrophobicContact CD2-CZ 3.6Å; L71-F173 HydrophobicContact CG-CZ 4.24Å
72I69.4Low68.8Low4 Ų444.4 Ų44.42%0.02121%0.207CC..Hα-helixtrans-61.7-42176-71.9-178.5000111.1Y68 E69 H70 Q74 L75 K76 S117 N118 I121Y68-I72 WeakPolarHBondContact O-CG1 3.4Å; Y68-I72 PolarHBondContact O-N 3.46Å; E69-I72 PolarHBondContact O-N 3.18Å; H70-I72 PolarHBondContact O-N 2.9Å; I72-Q74 VanDerWaalsContact C-N 3.33Å; I72-Q74 PolarHBondContact O-N 3.25Å; I72-L75 PolarHBondContact O-N 3.17Å; I72-K76 HydrophobicContact CG2-CD 3.91Å; I72-K76 HydrophobicContact CG2-CG 4.14Å; I72-K76 WeakPolarHBondContact O-CB 3.22Å; I72-K76 WeakPolarHBondContact O-CG 3.04Å; I72-K76 PolarHBondContact O-N 3.26Å; I72-S117 VanDerWaalsContact CD1-C 3.5Å; I72-N118 WeakPolarHBondContact CD1-OD1 3.25Å; I72-I121 HydrophobicContact CD1-CD1 3.25Å; I72-I121 HydrophobicContact CD1-CG1 3.88Å; I72-I121 HydrophobicContact CG1-CD1 4.27Å
73N72.9Confident68.5Low81 Ų8148 Ų4843%0.43322%0.223SC..Hα-helixtrans-64.1-40178.6-69.7-26.1000111.4E69 H70 L71 W77E69-N73 VanDerWaalsContact O-CG 3.27Å; E69-N73 PolarHBondContact O-N 2.84Å; E69-N73 PolarHBondContact O-ND2 3.47Å; H70-N73 PolarHBondContact O-N 3.48Å; L71-N73 VanDerWaalsContact C-N 3.32Å; L71-N73 PolarHBondContact O-N 3.48Å; N73-W77 VanDerWaalsContact O-CB 3.26Å; N73-W77 WeakPolarHBondContact O-CB 3.33Å; N73-W77 PolarHBondContact O-N 2.9Å
74Q68.3Low68.2Low40 Ų4050.2 Ų50.219%0.18724%0.237CC..Hα-helixtrans-63.7-42.3173-66.7-61.7-3600112V9 H70 L71 I72 W77 L78V9-Q74 HydrophobicContact CG1-CB 4.26Å; H70-Q74 VanDerWaalsContact CE1-CG 3.48Å; H70-Q74 WeakPolarHBondContact CE1-CG 3.49Å; H70-Q74 PolarHBondContact CE1-NE2 3.18Å; H70-Q74 PolarHBondContact NE2-NE2 3.46Å; H70-Q74 VanDerWaalsContact NE2-NE2 3.18Å; H70-Q74 WeakPolarHBondContact O-CG 3.45Å; H70-Q74 PolarHBondContact O-N 3.29Å; L71-Q74 PolarHBondContact O-N 2.89Å; I72-Q74 VanDerWaalsContact C-N 3.33Å; I72-Q74 PolarHBondContact O-N 3.25Å; Q74-W77 PolarHBondContact O-N 3.4Å; Q74-L78 WeakPolarHBondContact O-CB 3.46Å; Q74-L78 PolarHBondContact O-N 2.88Å
75L66.5Low68Low9 Ų950.4 Ų50.45%0.04724%0.237CC..Hα-helixtrans-68-41.3177.5-70.7171000112.5L71 I72 W77 L78 H79 I113 F114 F173L71-L75 HydrophobicContact CG-CD1 4.2Å; L71-L75 VanDerWaalsContact O-CG 3.31Å; L71-L75 WeakPolarHBondContact O-CG 3.31Å; L71-L75 PolarHBondContact O-N 2.88Å; I72-L75 PolarHBondContact O-N 3.17Å; L75-W77 VanDerWaalsContact C-N 3.32Å; L75-L78 WeakPolarHBondContact O-CB 3.35Å; L75-L78 PolarHBondContact O-N 3.34Å; L75-H79 PolarHBondContact O-N 3.1Å; L75-I113 HydrophobicContact CD1-CG2 3.6Å; L75-I113 HydrophobicContact CD2-CG2 4.14Å; L75-F114 HydrophobicContact CB-CD1 4.29Å; L75-F114 HydrophobicContact CB-CE1 3.53Å; L75-F114 HydrophobicContact CB-CZ 3.93Å; L75-F114 WeakPolarHBondContact O-CZ 3.36Å; L75-F173 HydrophobicContact CD1-CE2 4.33Å; L75-F173 HydrophobicContact CD1-CZ 4.35Å
76K70Confident67.4Low109 Ų10953.4 Ų53.447%0.47425%0.248SC..Hα-helixtrans-61.5-44.8173.6-77.9177.6179.2172.40110.3I72 L78 H79 T80 F114I72-K76 HydrophobicContact CG2-CD 3.91Å; I72-K76 HydrophobicContact CG2-CG 4.14Å; I72-K76 WeakPolarHBondContact O-CB 3.22Å; I72-K76 WeakPolarHBondContact O-CG 3.04Å; I72-K76 PolarHBondContact O-N 3.26Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.44Å; K76-H79 WeakPolarHBondContact O-CB 3.44Å; K76-H79 PolarHBondContact O-N 3.07Å; K76-H79 VanDerWaalsContact O-N 3.17Å; K76-T80 PolarHBondContact O-N 3.33Å; K76-T80 PolarHBondContact O-OG1 3Å; K76-T80 VanDerWaalsContact O-OG1 3.13Å; K76-F114 HydrophobicContact CG-CE1 4Å
77W68.4Low67Low129 Ų12955.2 Ų55.249%0.48926%0.262SS..Hα-helixtrans-61.2-42.8175.8-172.965.3000111.9T5 V9 N73 Q74 L75 H79 T80 I81T5-W77 HydrophobicContact CG2-CH2 3.04Å; T5-W77 HydrophobicContact CG2-CZ2 3.85Å; T5-W77 HydrophobicContact CG2-CZ3 3.47Å; T5-W77 VanDerWaalsContact CG2-CZ3 3.47Å; V9-W77 HydrophobicContact CG2-CE3 3.28Å; V9-W77 HydrophobicContact CG2-CH2 4.32Å; V9-W77 HydrophobicContact CG2-CZ3 3.08Å; N73-W77 VanDerWaalsContact O-CB 3.26Å; N73-W77 WeakPolarHBondContact O-CB 3.33Å; N73-W77 PolarHBondContact O-N 2.9Å; Q74-W77 PolarHBondContact O-N 3.4Å; L75-W77 VanDerWaalsContact C-N 3.32Å; W77-H79 VanDerWaalsContact C-N 3.33Å; W77-H79 PolarHBondContact O-N 2.78Å; W77-T80 PolarHBondContact O-N 3.34Å; W77-I81 HydrophobicContact CD2-CD1 3.43Å; W77-I81 VanDerWaalsContact CD2-CD1 3.43Å; W77-I81 HydrophobicContact CD2-CG1 4.24Å; W77-I81 VanDerWaalsContact CE2-CD1 3.43Å; W77-I81 HydrophobicContact CE3-CD1 3.45Å; W77-I81 VanDerWaalsContact CE3-CD1 3.45Å; W77-I81 HydrophobicContact CG-CD1 4.24Å; W77-I81 HydrophobicContact CH2-CD1 3.63Å; W77-I81 HydrophobicContact CZ2-CD1 3.54Å; W77-I81 HydrophobicContact CZ2-CG1 4.27Å; W77-I81 HydrophobicContact CZ3-CD1 3.57Å; W77-I81 WeakPolarHBondContact O-CG1 3.39Å; W77-I81 PolarHBondContact O-N 3.42Å
78L64.9Low66.7Low2 Ų259.6 Ų59.61%0.0128%0.281CS..Hα-helixtrans-57.2-46.1172.5177.263.3000111.5I6 V9 L10 Q74 L75 K76 I81 I82 F180I6-L78 HydrophobicContact CB-CD1 3.91Å; I6-L78 HydrophobicContact CG1-CD1 3.7Å; I6-L78 HydrophobicContact CG2-CD1 3.65Å; V9-L78 HydrophobicContact CG1-CB 4.08Å; L10-L78 HydrophobicContact CD2-CD2 4.31Å; Q74-L78 WeakPolarHBondContact O-CB 3.46Å; Q74-L78 PolarHBondContact O-N 2.88Å; L75-L78 WeakPolarHBondContact O-CB 3.35Å; L75-L78 PolarHBondContact O-N 3.34Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.44Å; L78-I81 PolarHBondContact O-N 2.95Å; L78-I82 HydrophobicContact CD1-CD1 3.94Å; L78-I82 HydrophobicContact CD1-CG1 4.34Å; L78-I82 HydrophobicContact CG-CD1 3.83Å; L78-I82 VanDerWaalsContact O-CB 3.27Å; L78-I82 WeakPolarHBondContact O-CB 3.44Å; L78-I82 VanDerWaalsContact O-CG1 3.26Å; L78-I82 WeakPolarHBondContact O-CG1 3.13Å; L78-I82 PolarHBondContact O-N 2.95Å; L78-F180 HydrophobicContact CD2-CZ 4.48Å
79H65.2Low66.5Low46 Ų4660.8 Ų60.821%0.21329%0.287CS..Hα-helixtrans-60.8-43.6176.4-173.8-77.1000112L75 K76 W77 I82 E83 F114L75-H79 PolarHBondContact O-N 3.1Å; K76-H79 WeakPolarHBondContact O-CB 3.44Å; K76-H79 PolarHBondContact O-N 3.07Å; K76-H79 VanDerWaalsContact O-N 3.17Å; W77-H79 VanDerWaalsContact C-N 3.33Å; W77-H79 PolarHBondContact O-N 2.78Å; H79-I82 WeakPolarHBondContact O-CB 3.45Å; H79-I82 PolarHBondContact O-N 3.48Å; H79-E83 VanDerWaalsContact CE1-CD 3.5Å; H79-E83 IonicContact CE1-OE1 3.48Å; H79-E83 PolarHBondContact CE1-OE1 2.82Å; H79-E83 IonicContact CE1-OE2 3.66Å; H79-E83 IonicContact ND1-OE2 3.34Å; H79-E83 PolarHBondContact O-N 3.18Å; H79-F114 HydrophobicContact CB-CE2 4.28Å; H79-F114 HydrophobicContact CB-CZ 3.91Å; H79-F114 AromaticContact CD2-CE2 3.97Å
80T68.4Low66.2Low66 Ų6662.5 Ų62.541%0.40529%0.293SS..Hα-helixtrans-63.7-44.5176.1-56.10000112K76 W77 I82 E83 D84K76-T80 PolarHBondContact O-N 3.33Å; K76-T80 PolarHBondContact O-OG1 3Å; K76-T80 VanDerWaalsContact O-OG1 3.13Å; W77-T80 PolarHBondContact O-N 3.34Å; T80-I82 VanDerWaalsContact C-N 3.26Å; T80-I82 PolarHBondContact O-N 3.37Å; T80-E83 PolarHBondContact O-N 3.4Å; T80-D84 WeakPolarHBondContact O-CB 3.44Å; T80-D84 PolarHBondContact O-N 2.88Å
81I63.7Low65.8Low15 Ų1565.5 Ų65.58%0.07731%0.305CS..Hα-helixtrans-59.7-42.9175.4-68.3159.4000110.7T5 I6 W77 L78 E83 D84 E85T5-I81 HydrophobicContact CG2-CD1 3.49Å; T5-I81 VanDerWaalsContact CG2-CD1 3.49Å; I6-I81 HydrophobicContact CG1-CG2 4.17Å; W77-I81 HydrophobicContact CD2-CD1 3.43Å; W77-I81 VanDerWaalsContact CD2-CD1 3.43Å; W77-I81 HydrophobicContact CD2-CG1 4.24Å; W77-I81 VanDerWaalsContact CE2-CD1 3.43Å; W77-I81 HydrophobicContact CE3-CD1 3.45Å; W77-I81 VanDerWaalsContact CE3-CD1 3.45Å; W77-I81 HydrophobicContact CG-CD1 4.24Å; W77-I81 HydrophobicContact CH2-CD1 3.63Å; W77-I81 HydrophobicContact CZ2-CD1 3.54Å; W77-I81 HydrophobicContact CZ2-CG1 4.27Å; W77-I81 HydrophobicContact CZ3-CD1 3.57Å; W77-I81 WeakPolarHBondContact O-CG1 3.39Å; W77-I81 PolarHBondContact O-N 3.42Å; L78-I81 PolarHBondContact O-N 2.95Å; I81-E83 VanDerWaalsContact C-N 3.32Å; I81-D84 PolarHBondContact O-N 3.43Å; I81-E85 HydrophobicContact CG2-CG 4.31Å; I81-E85 WeakPolarHBondContact O-CB 3.02Å; I81-E85 PolarHBondContact O-N 3.31Å
82I62.1Low65.8Low4 Ų465.8 Ų65.82%0.02131%0.307CS..Hα-helixtrans-61.1-42.7178.3-82.8170.3000110.7I6 L78 H79 T80 R86 I93 L97I6-I82 HydrophobicContact CD1-CG1 3.9Å; I6-I82 HydrophobicContact CG1-CG1 4.49Å; L78-I82 HydrophobicContact CD1-CD1 3.94Å; L78-I82 HydrophobicContact CD1-CG1 4.34Å; L78-I82 HydrophobicContact CG-CD1 3.83Å; L78-I82 VanDerWaalsContact O-CB 3.27Å; L78-I82 WeakPolarHBondContact O-CB 3.44Å; L78-I82 VanDerWaalsContact O-CG1 3.26Å; L78-I82 WeakPolarHBondContact O-CG1 3.13Å; L78-I82 PolarHBondContact O-N 2.95Å; H79-I82 WeakPolarHBondContact O-CB 3.45Å; H79-I82 PolarHBondContact O-N 3.48Å; T80-I82 VanDerWaalsContact C-N 3.26Å; T80-I82 PolarHBondContact O-N 3.37Å; I82-R86 PolarHBondContact O-N 2.85Å; I82-R86 VanDerWaalsContact O-N 3.13Å; I82-I93 HydrophobicContact CB-CG2 4.17Å; I82-I93 HydrophobicContact CG1-CG2 4.41Å; I82-I93 HydrophobicContact CG2-CG2 3.32Å; I82-L97 HydrophobicContact CD1-CD2 4.06Å; I82-L97 HydrophobicContact CG2-CD1 3.14Å; I82-L97 HydrophobicContact CG2-CD2 3.69Å; I82-L97 HydrophobicContact CG2-CG 3.56Å
83E64.8Low65.8Low114 Ų11465.8 Ų65.853%0.53331%0.307SS..Hα-helixtrans-66.5-42.2174.4-74.3-168.5148.200112.4H79 T80 I81 R86H79-E83 VanDerWaalsContact CE1-CD 3.5Å; H79-E83 IonicContact CE1-OE1 3.48Å; H79-E83 PolarHBondContact CE1-OE1 2.82Å; H79-E83 IonicContact CE1-OE2 3.66Å; H79-E83 IonicContact ND1-OE2 3.34Å; H79-E83 PolarHBondContact O-N 3.18Å; T80-E83 PolarHBondContact O-N 3.4Å; I81-E83 VanDerWaalsContact C-N 3.32Å; E83-R86 WeakPolarHBondContact O-CB 3.12Å; E83-R86 PolarHBondContact O-N 2.86Å
84D64.6Low65.7Low104 Ų10465.1 Ų65.156%0.55630%0.301SS*.Hα-helixtrans-66.4-37179.6-77.3-8.2000112.9T80 I81 R86T80-D84 WeakPolarHBondContact O-CB 3.44Å; T80-D84 PolarHBondContact O-N 2.88Å; I81-D84 PolarHBondContact O-N 3.43Å; D84-R86 VanDerWaalsContact C-N 3.32Å
85E62.6Low66Low8 Ų864.3 Ų64.34%0.03730%0.303CS..THydrogen-bonded Turntrans-92.25.3179-65.9-61.8155.100112.8K2 I81 D87 K88 M89 I93K2-E85 HydrophobicContact CB-CG 4.48Å; K2-E85 WeakPolarHBondContact CD-OE1 3.18Å; K2-E85 IonicContact NZ-OE1 2.97Å; I81-E85 HydrophobicContact CG2-CG 4.31Å; I81-E85 WeakPolarHBondContact O-CB 3.02Å; I81-E85 PolarHBondContact O-N 3.31Å; E85-D87 PolarHBondContact O-N 2.82Å; E85-D87 VanDerWaalsContact O-N 3.09Å; E85-K88 PolarHBondContact O-N 3.36Å; E85-K88 IonicContact OE1-NZ 3.66Å; E85-K88 PolarHBondContact OE1-NZ 3.1Å; E85-K88 WeakPolarHBondContact OE2-CD 3.46Å; E85-K88 IonicContact OE2-NZ 3.87Å; E85-K88 PolarHBondContact OE2-NZ 3.48Å; E85-M89 PolarHBondContact O-N 3.18Å; E85-M89 VanDerWaalsContact O-N 3.16Å; E85-I93 HydrophobicContact CB-CD1 3.98Å
86R60.1Low66.3Low108 Ų10864.4 Ų64.441%0.40830%0.304SS..THydrogen-bonded Turntrans-55.6-31-178.1-167.6178.3-166.8-167.14.7112.1I82 E83 D84 K90I82-R86 PolarHBondContact O-N 2.85Å; I82-R86 VanDerWaalsContact O-N 3.13Å; E83-R86 WeakPolarHBondContact O-CB 3.12Å; E83-R86 PolarHBondContact O-N 2.86Å; D84-R86 VanDerWaalsContact C-N 3.32Å; R86-K90 HydrophobicContact CG-CG 4.27Å; R86-K90 WeakPolarHBondContact O-CA 3.42Å; R86-K90 WeakPolarHBondContact O-CB 3.45Å; R86-K90 WeakPolarHBondContact O-CG 3.22Å; R86-K90 PolarHBondContact O-N 2.99Å
87D64.5Low66.5Low147 Ų14760.4 Ų60.479%0.78629%0.288SS*.THydrogen-bonded Turntrans-76.8-31.4179.7-69.4-27.2000113.6E85E85-D87 PolarHBondContact O-N 2.82Å; E85-D87 VanDerWaalsContact O-N 3.09Å
88K63.3Low67.1Low114 Ų11458 Ų5850%0.49628%0.284SS..THydrogen-bonded Turntrans-85-35.5-176.9-59.6-163.2-158.4109.40113.2E85E85-K88 PolarHBondContact O-N 3.36Å; E85-K88 IonicContact OE1-NZ 3.66Å; E85-K88 PolarHBondContact OE1-NZ 3.1Å; E85-K88 WeakPolarHBondContact OE2-CD 3.46Å; E85-K88 IonicContact OE2-NZ 3.87Å; E85-K88 PolarHBondContact OE2-NZ 3.48Å
89M62.2Low68Low25 Ų2561.2 Ų61.212%0.12330%0.297CS..SBendtrans-122.528.4-178-68-168.6-18000112.3D3 E85 F91 V92 I93D3-M89 HydrophobicContact CB-CE 3.85Å; D3-M89 WeakPolarHBondContact OD1-CE 3.34Å; E85-M89 PolarHBondContact O-N 3.18Å; E85-M89 VanDerWaalsContact O-N 3.16Å; M89-F91 VanDerWaalsContact C-N 3.27Å; M89-F91 PolarHBondContact O-N 3.34Å; M89-F91 VanDerWaalsContact O-N 3.08Å; M89-V92 PolarHBondContact O-N 3.15Å; M89-I93 HydrophobicContact CB-CD1 3.73Å; M89-I93 HydrophobicContact CB-CG1 3.88Å; M89-I93 WeakPolarHBondContact O-CB 3.31Å; M89-I93 PolarHBondContact O-N 3.32Å
90K67Low68.8Low107 Ų10766.1 Ų66.147%0.46531%0.313SS..Hα-helixtrans-41.6-52.8-173-162171.2175178.90113.6R86 V92 E94R86-K90 HydrophobicContact CG-CG 4.27Å; R86-K90 WeakPolarHBondContact O-CA 3.42Å; R86-K90 WeakPolarHBondContact O-CB 3.45Å; R86-K90 WeakPolarHBondContact O-CG 3.22Å; R86-K90 PolarHBondContact O-N 2.99Å; K90-V92 PolarHBondContact O-N 3.2Å; K90-E94 WeakPolarHBondContact O-CA 3.25Å; K90-E94 WeakPolarHBondContact O-CB 3.41Å; K90-E94 PolarHBondContact O-N 3.28Å
91F66.4Low69.3Low142 Ų14263.5 Ų63.562%0.62330%0.297SS*.Hα-helixtrans-63.8-42.7-176-177.9-100.3000113M89 G95M89-F91 VanDerWaalsContact C-N 3.27Å; M89-F91 PolarHBondContact O-N 3.34Å; M89-F91 VanDerWaalsContact O-N 3.08Å; F91-G95 PolarHBondContact O-N 2.98Å
92V67.4Low69.7Low8 Ų868.6 Ų68.65%0.04833%0.331CS..Hα-helixtrans-69.8-50.3179.2-178.60000109.8M89 K90 G95 I96 K187 N191M89-V92 PolarHBondContact O-N 3.15Å; K90-V92 PolarHBondContact O-N 3.2Å; V92-G95 PolarHBondContact O-N 3.46Å; V92-I96 HydrophobicContact CG1-CD1 3.8Å; V92-I96 WeakPolarHBondContact O-CD1 3.44Å; V92-I96 VanDerWaalsContact O-CG1 3.24Å; V92-I96 WeakPolarHBondContact O-CG1 3.47Å; V92-I96 PolarHBondContact O-N 2.96Å; V92-K187 HydrophobicContact CG1-CB 4.33Å; V92-N191 HydrophobicContact CG2-CB 3.84Å
93I67.6Low70.1Confident4 Ų473.1 Ų73.12%0.02136%0.355CS..Hα-helixtrans-64.7-44.2-177.1-71.1179.1000111.6I82 E85 M89 G95 I96 L97I82-I93 HydrophobicContact CB-CG2 4.17Å; I82-I93 HydrophobicContact CG1-CG2 4.41Å; I82-I93 HydrophobicContact CG2-CG2 3.32Å; E85-I93 HydrophobicContact CB-CD1 3.98Å; M89-I93 HydrophobicContact CB-CD1 3.73Å; M89-I93 HydrophobicContact CB-CG1 3.88Å; M89-I93 WeakPolarHBondContact O-CB 3.31Å; M89-I93 PolarHBondContact O-N 3.32Å; I93-G95 VanDerWaalsContact C-N 3.33Å; I93-G95 PolarHBondContact O-N 2.9Å; I93-I96 WeakPolarHBondContact O-CB 3.25Å; I93-I96 PolarHBondContact O-N 3.35Å; I93-I96 VanDerWaalsContact O-N 3.1Å; I93-L97 HydrophobicContact CG2-CD1 4.08Å; I93-L97 HydrophobicContact CG2-CG 4.31Å; I93-L97 WeakPolarHBondContact O-CG 3.35Å; I93-L97 PolarHBondContact O-N 2.87Å
94E72.2Confident70.4Confident67 Ų6767.7 Ų67.731%0.31333%0.33SS..Hα-helixtrans-65.3-38.9178.4-172165.5-167.900111K90 I96 N98K90-E94 WeakPolarHBondContact O-CA 3.25Å; K90-E94 WeakPolarHBondContact O-CB 3.41Å; K90-E94 PolarHBondContact O-N 3.28Å; E94-I96 VanDerWaalsContact C-N 3.27Å; E94-I96 PolarHBondContact O-N 3.29Å; E94-N98 WeakPolarHBondContact CG-ND2 3.21Å; E94-N98 WeakPolarHBondContact O-CB 3.25Å; E94-N98 PolarHBondContact O-N 2.91Å; E94-N98 PolarHBondContact O-ND2 3.49Å
95G73.5Confident70.9Confident22 Ų2267.2 Ų67.223%0.22733%0.327CS..Hα-helixtrans-64.6-29.5171.700000113.7F91 V92 I93 N183F91-G95 PolarHBondContact O-N 2.98Å; V92-G95 PolarHBondContact O-N 3.46Å; I93-G95 VanDerWaalsContact C-N 3.33Å; I93-G95 PolarHBondContact O-N 2.9Å; G95-N183 PolarHBondContact O-ND2 3.48Å; G95-N183 VanDerWaalsContact O-ND2 3.15Å
96I73Confident71.7Confident11 Ų1168.7 Ų68.76%0.05635%0.345CS..Hα-helixtrans-75-51.5174.9-66.6156.4000111V92 I93 E94 Y99 F180 N183 L184 K187V92-I96 HydrophobicContact CG1-CD1 3.8Å; V92-I96 WeakPolarHBondContact O-CD1 3.44Å; V92-I96 VanDerWaalsContact O-CG1 3.24Å; V92-I96 WeakPolarHBondContact O-CG1 3.47Å; V92-I96 PolarHBondContact O-N 2.96Å; I93-I96 WeakPolarHBondContact O-CB 3.25Å; I93-I96 PolarHBondContact O-N 3.35Å; I93-I96 VanDerWaalsContact O-N 3.1Å; E94-I96 VanDerWaalsContact C-N 3.27Å; E94-I96 PolarHBondContact O-N 3.29Å; I96-Y99 PolarHBondContact O-N 3.02Å; I96-F180 HydrophobicContact CG2-CD2 4.32Å; I96-F180 HydrophobicContact CG2-CE2 3.43Å; I96-F180 VanDerWaalsContact CG2-CE2 3.43Å; I96-F180 HydrophobicContact CG2-CZ 3.56Å; I96-N183 WeakPolarHBondContact CA-ND2 3.2Å; I96-L184 HydrophobicContact CD1-CD1 3.34Å; I96-L184 HydrophobicContact CG1-CD1 3.97Å; I96-K187 HydrophobicContact CG1-CB 4.09Å; I96-K187 HydrophobicContact CG1-CG 4.15Å
97L75.6Confident72.7Confident26 Ų2664.6 Ų64.614%0.13633%0.331CS..Hα-helixtrans-68.3-37.4-176.4-73.7-177.5000113.3I82 I93 Y99 P108 I110I82-L97 HydrophobicContact CD1-CD2 4.06Å; I82-L97 HydrophobicContact CG2-CD1 3.14Å; I82-L97 HydrophobicContact CG2-CD2 3.69Å; I82-L97 HydrophobicContact CG2-CG 3.56Å; I93-L97 HydrophobicContact CG2-CD1 4.08Å; I93-L97 HydrophobicContact CG2-CG 4.31Å; I93-L97 WeakPolarHBondContact O-CG 3.35Å; I93-L97 PolarHBondContact O-N 2.87Å; L97-Y99 VanDerWaalsContact C-N 3.3Å; L97-P108 WeakPolarHBondContact O-CB 3.5Å; L97-I110 HydrophobicContact CD2-CD1 3.42Å; L97-I110 VanDerWaalsContact CD2-CD1 3.42Å; L97-I110 HydrophobicContact CD2-CG2 4.32Å
98N80.8Confident73.6Confident77 Ų7758.3 Ų58.341%0.41230%0.298SS..THydrogen-bonded Turntrans-88.34.2-177.3-68.1-26.4000113.2E94 R100E94-N98 WeakPolarHBondContact CG-ND2 3.21Å; E94-N98 WeakPolarHBondContact O-CB 3.25Å; E94-N98 PolarHBondContact O-N 2.91Å; E94-N98 PolarHBondContact O-ND2 3.49Å; N98-R100 WeakPolarHBondContact O-CG 3.25Å; N98-R100 PolarHBondContact O-N 3.29Å
99Y83.1Confident74.5Confident71 Ų7153 Ų5328%0.27828%0.275SS..  trans-64.1128.7-178.6178.4-113.1000111.6I96 L97 P108 I109 N183I96-Y99 PolarHBondContact O-N 3.02Å; L97-Y99 VanDerWaalsContact C-N 3.3Å; Y99-P108 VanDerWaalsContact O-CA 3.26Å; Y99-P108 WeakPolarHBondContact O-CA 3.29Å; Y99-I109 HydrophobicContact CD1-CD1 3.3Å; Y99-I109 HydrophobicContact CD1-CG1 4.07Å; Y99-I109 HydrophobicContact CE1-CD1 3.24Å; Y99-I109 HydrophobicContact CE1-CG1 4.4Å; Y99-I109 PolarHBondContact O-N 3.33Å; Y99-N183 WeakPolarHBondContact CB-ND2 3.15Å; Y99-N183 HydrophobicContact CD1-CB 3.48Å; Y99-N183 VanDerWaalsContact CD1-CB 3.48Å; Y99-N183 HydrophobicContact CD2-CB 4.02Å; Y99-N183 VanDerWaalsContact CD2-CG 3.46Å; Y99-N183 WeakPolarHBondContact CD2-OD1 3.26Å; Y99-N183 HydrophobicContact CE1-CB 3.73Å; Y99-N183 HydrophobicContact CE2-CB 4.26Å; Y99-N183 HydrophobicContact CG-CB 3.64Å
100R82Confident75.3Confident148 Ų14852.3 Ų52.356%0.55827%0.271SS*.  trans-119129.2-179.1-64.3164.4-169.1-169.2-0.3107.7N98 G106N98-R100 WeakPolarHBondContact O-CG 3.25Å; N98-R100 PolarHBondContact O-N 3.29Å; R100-G106 VanDerWaalsContact CD-O 3.31Å; R100-G106 WeakPolarHBondContact CD-O 3.27Å; R100-G106 PolarHBondContact NE-O 3.44Å; R100-G106 VanDerWaalsContact NE-O 3.17Å
101N78.2Confident75.9Confident12 Ų1253.3 Ų53.36%0.06427%0.273CS..  trans-83.1147.1168-178.7-47.4000108.1N103 S104 I109 Y179N101-N103 PolarHBondContact O-N 2.96Å; N101-N103 WeakPolarHBondContact OD1-CB 3.2Å; N101-N103 PolarHBondContact OD1-N 2.97Å; N101-S104 PolarHBondContact N-OG 3.45Å; N101-S104 VanDerWaalsContact N-OG 3.14Å; N101-S104 WeakPolarHBondContact O-CB 3.15Å; N101-S104 PolarHBondContact O-N 3.44Å; N101-S104 PolarHBondContact O-OG 3.27Å; N101-I109 HydrophobicContact CB-CD1 3.68Å; N101-I109 HydrophobicContact CB-CG1 4.24Å; N101-Y179 VanDerWaalsContact ND2-CD1 3.27Å; N101-Y179 WeakPolarHBondContact ND2-CD1 3.05Å; N101-Y179 VanDerWaalsContact ND2-CD2 3.29Å; N101-Y179 WeakPolarHBondContact ND2-CD2 3.25Å; N101-Y179 WeakPolarHBondContact ND2-CE1 3.18Å; N101-Y179 WeakPolarHBondContact ND2-CE2 3.29Å
102P72.8Confident76.6Confident121 Ų12146.5 Ų46.579%0.78624%0.243SC*.THydrogen-bonded Turntrans-40.3-36.9165.6-30.832.4000115
103N70.4Confident77.2Confident100 Ų10046.3 Ų46.354%0.53524%0.242SC..THydrogen-bonded Turntrans-83.5-6.3-179-61.1-16.9000114.1N101 N105N101-N103 PolarHBondContact O-N 2.96Å; N101-N103 WeakPolarHBondContact OD1-CB 3.2Å; N101-N103 PolarHBondContact OD1-N 2.97Å; N103-N105 VanDerWaalsContact C-N 3.3Å; N103-N105 PolarHBondContact O-N 3.22Å
104S70.6Confident77.7Confident0 Ų047.5 Ų47.50%025%0.247CC..THydrogen-bonded Turntrans-89.415.1-171.878.50000114.2N101 G106 I107 Y112N101-S104 PolarHBondContact N-OG 3.45Å; N101-S104 VanDerWaalsContact N-OG 3.14Å; N101-S104 WeakPolarHBondContact O-CB 3.15Å; N101-S104 PolarHBondContact O-N 3.44Å; N101-S104 PolarHBondContact O-OG 3.27Å; S104-G106 PolarHBondContact O-N 2.78Å; S104-I107 WeakPolarHBondContact CB-O 3.19Å; S104-I107 WeakPolarHBondContact O-CB 3.28Å; S104-I107 PolarHBondContact O-N 3.06Å; S104-I107 PolarHBondContact OG-O 3.03Å; S104-Y112 PolarHBondContact O-OH 2.81Å
105N76.6Confident78.1Confident93 Ų9346.6 Ų46.650%0.49724%0.242SC..THydrogen-bonded Turntrans49.627.6-179.5-66.7-24.9000114.3N103 I107 V270N103-N105 VanDerWaalsContact C-N 3.3Å; N103-N105 PolarHBondContact O-N 3.22Å; N105-I107 VanDerWaalsContact C-N 3.35Å; N105-V270 WeakPolarHBondContact O-CG2 3.41Å
106G78.6Confident78.4Confident39 Ų3945.5 Ų45.540%0.40223%0.231SC..THydrogen-bonded Turntrans83.63.1-177.200000115.3R100 S104R100-G106 VanDerWaalsContact CD-O 3.31Å; R100-G106 WeakPolarHBondContact CD-O 3.27Å; R100-G106 PolarHBondContact NE-O 3.44Å; R100-G106 VanDerWaalsContact NE-O 3.17Å; S104-G106 PolarHBondContact O-N 2.78Å
107I81.5Confident78.6Confident23 Ų2345 Ų4512%0.11823%0.229CC..SBendtrans-94.9139.7178.5-64.2167000109.6S104 N105 Y111 Y112 L268 V270S104-I107 WeakPolarHBondContact CB-O 3.19Å; S104-I107 WeakPolarHBondContact O-CB 3.28Å; S104-I107 PolarHBondContact O-N 3.06Å; S104-I107 PolarHBondContact OG-O 3.03Å; N105-I107 VanDerWaalsContact C-N 3.35Å; I107-Y111 HydrophobicContact CG2-CD2 4.31Å; I107-Y111 HydrophobicContact CG2-CG 4.41Å; I107-Y112 HydrophobicContact CB-CE2 3.82Å; I107-Y112 HydrophobicContact CG2-CD2 4.25Å; I107-Y112 HydrophobicContact CG2-CE2 3.91Å; I107-L268 HydrophobicContact CD1-CB 3.1Å; I107-L268 HydrophobicContact CD1-CD1 3.8Å; I107-L268 HydrophobicContact CD1-CG 4.04Å; I107-L268 HydrophobicContact CG2-CD1 3.85Å; I107-V270 HydrophobicContact CD1-CG2 3.51Å; I107-V270 HydrophobicContact CG1-CG2 3.44Å; I107-V270 VanDerWaalsContact CG1-CG2 3.44Å
108P82.7Confident78.7Confident15 Ų1547.8 Ų47.810%0.09724%0.244CC..  trans-65.1142.7178.5-17.628.4000113.3L97 Y99 I110 Y111L97-P108 WeakPolarHBondContact O-CB 3.5Å; Y99-P108 VanDerWaalsContact O-CA 3.26Å; Y99-P108 WeakPolarHBondContact O-CA 3.29Å; P108-I110 HydrophobicContact CB-CG2 4.44Å; P108-I110 PolarHBondContact O-N 3.09Å; P108-Y111 HydrophobicContact CB-CD2 3.89Å; P108-Y111 HydrophobicContact CB-CE2 4.23Å; P108-Y111 HydrophobicContact CG-CD2 3.91Å; P108-Y111 HydrophobicContact CG-CE2 3.93Å; P108-Y111 WeakPolarHBondContact O-CB 3.39Å; P108-Y111 PolarHBondContact O-N 2.77Å; P108-Y111 VanDerWaalsContact O-N 3.1Å
109I81.5Confident78.7Confident2 Ų244.7 Ų44.71%0.0123%0.227CC..Hα-helixtrans-59.9-35.2-171.8-66.3-175.6000112.6Y99 N101 Y111 Y112 I113 Y176 Y179 F180Y99-I109 HydrophobicContact CD1-CD1 3.3Å; Y99-I109 HydrophobicContact CD1-CG1 4.07Å; Y99-I109 HydrophobicContact CE1-CD1 3.24Å; Y99-I109 HydrophobicContact CE1-CG1 4.4Å; Y99-I109 PolarHBondContact O-N 3.33Å; N101-I109 HydrophobicContact CB-CD1 3.68Å; N101-I109 HydrophobicContact CB-CG1 4.24Å; I109-Y111 PolarHBondContact O-N 3.29Å; I109-Y111 VanDerWaalsContact O-N 3.15Å; I109-Y112 WeakPolarHBondContact O-CB 3.31Å; I109-Y112 PolarHBondContact O-N 3.46Å; I109-I113 HydrophobicContact CG2-CD1 4.29Å; I109-I113 HydrophobicContact CG2-CG1 4.4Å; I109-I113 PolarHBondContact O-N 3.28Å; I109-Y176 HydrophobicContact CG2-CD1 3.94Å; I109-Y176 HydrophobicContact CG2-CG 4.36Å; I109-Y176 VanDerWaalsContact CG2-O 3.25Å; I109-Y176 WeakPolarHBondContact CG2-O 3.46Å; I109-Y179 HydrophobicContact CD1-CD2 4.35Å; I109-Y179 HydrophobicContact CD1-CG 4.1Å; I109-F180 HydrophobicContact CG2-CB 4.38Å
110I79.2Confident78.4Confident10 Ų1041.3 Ų41.35%0.05121%0.214CC..Hα-helixtrans-57.1-33.4179.8-164.4170.3000112.5L97 P108 Y112 I113 F114 F180L97-I110 HydrophobicContact CD2-CD1 3.42Å; L97-I110 VanDerWaalsContact CD2-CD1 3.42Å; L97-I110 HydrophobicContact CD2-CG2 4.32Å; P108-I110 HydrophobicContact CB-CG2 4.44Å; P108-I110 PolarHBondContact O-N 3.09Å; I110-Y112 VanDerWaalsContact C-N 3.35Å; I110-Y112 PolarHBondContact O-N 3.35Å; I110-I113 WeakPolarHBondContact O-CB 3.23Å; I110-I113 PolarHBondContact O-N 2.96Å; I110-F114 HydrophobicContact CD1-CE2 3.99Å; I110-F114 HydrophobicContact CG1-CD2 3.99Å; I110-F114 HydrophobicContact CG1-CE2 3.7Å; I110-F114 WeakPolarHBondContact O-CD2 2.94Å; I110-F114 PolarHBondContact O-N 2.69Å; I110-F114 VanDerWaalsContact O-N 3.08Å; I110-F180 HydrophobicContact CD1-CE2 4.4Å
111Y81Confident78.2Confident128 Ų12835.6 Ų35.650%0.50219%0.194SC..Hα-helixtrans-67.8-34.8176.3-72-77000112.6I107 P108 I109 K115I107-Y111 HydrophobicContact CG2-CD2 4.31Å; I107-Y111 HydrophobicContact CG2-CG 4.41Å; P108-Y111 HydrophobicContact CB-CD2 3.89Å; P108-Y111 HydrophobicContact CB-CE2 4.23Å; P108-Y111 HydrophobicContact CG-CD2 3.91Å; P108-Y111 HydrophobicContact CG-CE2 3.93Å; P108-Y111 WeakPolarHBondContact O-CB 3.39Å; P108-Y111 PolarHBondContact O-N 2.77Å; P108-Y111 VanDerWaalsContact O-N 3.1Å; I109-Y111 PolarHBondContact O-N 3.29Å; I109-Y111 VanDerWaalsContact O-N 3.15Å; Y111-K115 WeakPolarHBondContact O-CB 3.2Å; Y111-K115 PolarHBondContact O-N 3.43Å
112Y81.1Confident78.3Confident0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-65.3-43.5173.6-77.9-87.9000111S104 I107 I109 I110 F114 K115 I116 Y176 I266S104-Y112 PolarHBondContact O-OH 2.81Å; I107-Y112 HydrophobicContact CB-CE2 3.82Å; I107-Y112 HydrophobicContact CG2-CD2 4.25Å; I107-Y112 HydrophobicContact CG2-CE2 3.91Å; I109-Y112 WeakPolarHBondContact O-CB 3.31Å; I109-Y112 PolarHBondContact O-N 3.46Å; I110-Y112 VanDerWaalsContact C-N 3.35Å; I110-Y112 PolarHBondContact O-N 3.35Å; Y112-F114 PolarHBondContact O-N 3.48Å; Y112-K115 PolarHBondContact O-N 3.32Å; Y112-I116 WeakPolarHBondContact O-CB 3.44Å; Y112-I116 WeakPolarHBondContact O-CD1 3.43Å; Y112-I116 VanDerWaalsContact O-CG1 3.25Å; Y112-I116 WeakPolarHBondContact O-CG1 3.42Å; Y112-I116 PolarHBondContact O-N 3.47Å; Y112-Y176 HydrophobicContact CD1-CE1 4.17Å; Y112-Y176 AromaticContact CD1-CE2 3.82Å; Y112-Y176 HydrophobicContact CD1-CE2 3.82Å; Y112-Y176 AromaticContact CD1-CZ 3.57Å; Y112-Y176 WeakPolarHBondContact CD1-OH 3.46Å; Y112-Y176 HydrophobicContact CD2-CE1 4.23Å; Y112-Y176 HydrophobicContact CG-CD1 4.32Å; Y112-Y176 HydrophobicContact CG-CD2 4.46Å; Y112-Y176 AromaticContact CG-CE1 3.89Å; Y112-Y176 HydrophobicContact CG-CE1 3.89Å; Y112-Y176 HydrophobicContact CG-CE2 4.06Å; Y112-Y176 AromaticContact CG-CZ 3.76Å; Y112-I266 HydrophobicContact CD1-CG2 3.84Å; Y112-I266 HydrophobicContact CE1-CG2 4.09Å
113I78.5Confident78.6Confident3 Ų334.4 Ų34.42%0.01518%0.178CC..Hα-helixtrans-56.6-49.6176.4-60.9177.7000110.4L75 I109 I110 S117 F173 L177 F180L75-I113 HydrophobicContact CD1-CG2 3.6Å; L75-I113 HydrophobicContact CD2-CG2 4.14Å; I109-I113 HydrophobicContact CG2-CD1 4.29Å; I109-I113 HydrophobicContact CG2-CG1 4.4Å; I109-I113 PolarHBondContact O-N 3.28Å; I110-I113 WeakPolarHBondContact O-CB 3.23Å; I110-I113 PolarHBondContact O-N 2.96Å; I113-S117 WeakPolarHBondContact O-CB 3.47Å; I113-S117 PolarHBondContact O-N 2.77Å; I113-S117 VanDerWaalsContact O-N 3.08Å; I113-S117 PolarHBondContact O-OG 3.45Å; I113-F173 HydrophobicContact CB-CE2 4.49Å; I113-F173 HydrophobicContact CG2-CD2 4.31Å; I113-F173 HydrophobicContact CG2-CE2 3.45Å; I113-F173 VanDerWaalsContact CG2-CE2 3.45Å; I113-F173 HydrophobicContact CG2-CZ 3.85Å; I113-L177 HydrophobicContact CD1-CD1 4.37Å; I113-F180 HydrophobicContact CD1-CB 3.85Å; I113-F180 HydrophobicContact CD1-CD2 4.42Å; I113-F180 HydrophobicContact CD1-CG 4.14Å
114F78.4Confident78.9Confident30 Ų3029.6 Ų29.613%0.13215%0.152CC..Hα-helixtrans-62.3-45176.3-80.4-63.4000112.9L75 K76 H79 I110 Y112 S117 N118L75-F114 HydrophobicContact CB-CD1 4.29Å; L75-F114 HydrophobicContact CB-CE1 3.53Å; L75-F114 HydrophobicContact CB-CZ 3.93Å; L75-F114 WeakPolarHBondContact O-CZ 3.36Å; K76-F114 HydrophobicContact CG-CE1 4Å; H79-F114 HydrophobicContact CB-CE2 4.28Å; H79-F114 HydrophobicContact CB-CZ 3.91Å; H79-F114 AromaticContact CD2-CE2 3.97Å; I110-F114 HydrophobicContact CD1-CE2 3.99Å; I110-F114 HydrophobicContact CG1-CD2 3.99Å; I110-F114 HydrophobicContact CG1-CE2 3.7Å; I110-F114 WeakPolarHBondContact O-CD2 2.94Å; I110-F114 PolarHBondContact O-N 2.69Å; I110-F114 VanDerWaalsContact O-N 3.08Å; Y112-F114 PolarHBondContact O-N 3.48Å; F114-S117 PolarHBondContact O-N 3.18Å; F114-N118 PolarHBondContact O-N 3.36Å; F114-N118 PolarHBondContact O-ND2 3.44Å
115K81.6Confident79.2Confident47 Ų4734.2 Ų34.220%0.20417%0.173CC..Hα-helixtrans-63.2-45.7-178.3-174176-175.2-172.70111.7Y111 Y112 S117 N118 I119 K265 I266 N267 L268Y111-K115 WeakPolarHBondContact O-CB 3.2Å; Y111-K115 PolarHBondContact O-N 3.43Å; Y112-K115 PolarHBondContact O-N 3.32Å; K115-S117 VanDerWaalsContact C-N 3.32Å; K115-S117 PolarHBondContact O-N 2.84Å; K115-N118 PolarHBondContact O-N 2.84Å; K115-I119 HydrophobicContact CG-CD1 4.02Å; K115-I119 VanDerWaalsContact O-CG1 3.26Å; K115-I119 WeakPolarHBondContact O-CG1 3.21Å; K115-I119 PolarHBondContact O-N 3.09Å; K115-K265 WeakPolarHBondContact CE-O 3.37Å; K115-K265 PolarHBondContact NZ-O 2.95Å; K115-I266 WeakPolarHBondContact CD-O 3.4Å; K115-I266 WeakPolarHBondContact CE-O 3.39Å; K115-I266 PolarHBondContact NZ-O 3.38Å; K115-N267 PolarHBondContact NZ-O 3.09Å; K115-L268 HydrophobicContact CD-CD1 4.04Å; K115-L268 HydrophobicContact CD-CD2 3.79Å; K115-L268 HydrophobicContact CD-CG 3.72Å; K115-L268 VanDerWaalsContact NZ-CD2 3.27Å; K115-L268 VanDerWaalsContact NZ-CG 3.35Å
116I80.3Confident79.3Confident0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-61.9-44.3177.7-69159.4000110.2Y112 N118 I119 M120 L169 F173 Y176 I266Y112-I116 WeakPolarHBondContact O-CB 3.44Å; Y112-I116 WeakPolarHBondContact O-CD1 3.43Å; Y112-I116 VanDerWaalsContact O-CG1 3.25Å; Y112-I116 WeakPolarHBondContact O-CG1 3.42Å; Y112-I116 PolarHBondContact O-N 3.47Å; I116-N118 VanDerWaalsContact C-N 3.34Å; I116-N118 PolarHBondContact O-N 2.88Å; I116-I119 PolarHBondContact O-N 2.78Å; I116-I119 VanDerWaalsContact O-N 3.16Å; I116-M120 HydrophobicContact CG2-CE 3.98Å; I116-M120 HydrophobicContact CG2-CG 4.47Å; I116-M120 HydrophobicContact CG2-SD 4.36Å; I116-M120 WeakPolarHBondContact O-CG 3.5Å; I116-M120 PolarHBondContact O-N 3.42Å; I116-L169 HydrophobicContact CG2-CB 4.26Å; I116-L169 HydrophobicContact CG2-CD2 4.16Å; I116-L169 WeakPolarHBondContact CG2-O 3.32Å; I116-F173 HydrophobicContact CB-CD2 4.43Å; I116-F173 HydrophobicContact CG2-CB 3.87Å; I116-F173 HydrophobicContact CG2-CD2 4.07Å; I116-F173 HydrophobicContact CG2-CG 4.46Å; I116-Y176 HydrophobicContact CD1-CD2 3.32Å; I116-Y176 HydrophobicContact CD1-CE2 3.66Å; I116-Y176 HydrophobicContact CD1-CG 4.46Å; I116-I266 HydrophobicContact CD1-CG2 4.49Å; I116-I266 HydrophobicContact CG1-CD1 4.31Å; I116-I266 HydrophobicContact CG1-CG1 4.26Å; I116-I266 HydrophobicContact CG1-CG2 4.24Å
117S75.5Confident79.1Confident0 Ų032.8 Ų32.80%016%0.16CC..Hα-helixtrans-60.5-43.5177.4-50.80000112I72 I113 F114 K115 I119 M120 I121 F173I72-S117 VanDerWaalsContact CD1-C 3.5Å; I113-S117 WeakPolarHBondContact O-CB 3.47Å; I113-S117 PolarHBondContact O-N 2.77Å; I113-S117 VanDerWaalsContact O-N 3.08Å; I113-S117 PolarHBondContact O-OG 3.45Å; F114-S117 PolarHBondContact O-N 3.18Å; K115-S117 VanDerWaalsContact C-N 3.32Å; K115-S117 PolarHBondContact O-N 2.84Å; S117-I119 VanDerWaalsContact C-N 3.35Å; S117-I119 PolarHBondContact O-N 2.83Å; S117-M120 WeakPolarHBondContact O-CB 3.48Å; S117-M120 PolarHBondContact O-N 2.93Å; S117-I121 PolarHBondContact O-N 3.23Å; S117-I121 VanDerWaalsContact O-N 3.11Å; S117-F173 VanDerWaalsContact OG-CE2 3.28Å; S117-F173 WeakPolarHBondContact OG-CE2 3.41Å
118N77.6Confident78.7Confident85 Ų8535.3 Ų35.346%0.45517%0.17SC..Hα-helixtrans-62.3-41.5175.3-74-27.1000112I72 F114 K115 I116 M120 I121 E122I72-N118 WeakPolarHBondContact CD1-OD1 3.25Å; F114-N118 PolarHBondContact O-N 3.36Å; F114-N118 PolarHBondContact O-ND2 3.44Å; K115-N118 PolarHBondContact O-N 2.84Å; I116-N118 VanDerWaalsContact C-N 3.34Å; I116-N118 PolarHBondContact O-N 2.88Å; N118-M120 VanDerWaalsContact C-N 3.33Å; N118-M120 PolarHBondContact O-N 3Å; N118-I121 PolarHBondContact O-N 3.14Å; N118-E122 PolarHBondContact O-N 2.95Å
119I81.4Confident78.3Confident11 Ų1137.6 Ų37.66%0.05619%0.186CC..Hα-helixtrans-64.3-39176-65.6165.4000110.5K115 I116 S117 I121 E122 I123 L169 L262 K265 I266K115-I119 HydrophobicContact CG-CD1 4.02Å; K115-I119 VanDerWaalsContact O-CG1 3.26Å; K115-I119 WeakPolarHBondContact O-CG1 3.21Å; K115-I119 PolarHBondContact O-N 3.09Å; I116-I119 PolarHBondContact O-N 2.78Å; I116-I119 VanDerWaalsContact O-N 3.16Å; S117-I119 VanDerWaalsContact C-N 3.35Å; S117-I119 PolarHBondContact O-N 2.83Å; I119-I121 VanDerWaalsContact C-N 3.33Å; I119-I121 PolarHBondContact O-N 2.95Å; I119-E122 PolarHBondContact O-N 3.15Å; I119-I123 HydrophobicContact CG2-CD1 4.06Å; I119-I123 HydrophobicContact CG2-CG1 4.33Å; I119-I123 WeakPolarHBondContact O-CG1 3.42Å; I119-I123 PolarHBondContact O-N 3.27Å; I119-L169 HydrophobicContact CB-CD2 4.3Å; I119-L169 HydrophobicContact CG2-CD1 3.91Å; I119-L169 HydrophobicContact CG2-CD2 3.81Å; I119-L262 HydrophobicContact CG2-CD2 4.16Å; I119-K265 HydrophobicContact CD1-CB 4.2Å; I119-I266 HydrophobicContact CD1-CG1 3.88Å
120M77.5Confident77.9Confident0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-59-44.6175.5-73.3173.5166.400111.6Y68 I116 S117 N118 I123 C124 L169 M170 F173Y68-M120 HydrophobicContact CD1-CB 4.33Å; Y68-M120 HydrophobicContact CD1-SD 3.43Å; Y68-M120 WeakPolarHBondContact CD1-SD 3.05Å; Y68-M120 HydrophobicContact CD2-CB 4.03Å; Y68-M120 HydrophobicContact CE1-CE 3.96Å; Y68-M120 HydrophobicContact CE1-CG 4.39Å; Y68-M120 HydrophobicContact CE1-SD 3.2Å; Y68-M120 WeakPolarHBondContact CE1-SD 3.42Å; Y68-M120 HydrophobicContact CE2-CB 4.29Å; Y68-M120 HydrophobicContact CE2-SD 4.33Å; Y68-M120 HydrophobicContact CG-CB 4.06Å; Y68-M120 HydrophobicContact CG-SD 4.12Å; I116-M120 HydrophobicContact CG2-CE 3.98Å; I116-M120 HydrophobicContact CG2-CG 4.47Å; I116-M120 HydrophobicContact CG2-SD 4.36Å; I116-M120 WeakPolarHBondContact O-CG 3.5Å; I116-M120 PolarHBondContact O-N 3.42Å; S117-M120 WeakPolarHBondContact O-CB 3.48Å; S117-M120 PolarHBondContact O-N 2.93Å; N118-M120 VanDerWaalsContact C-N 3.33Å; N118-M120 PolarHBondContact O-N 3Å; M120-I123 PolarHBondContact O-N 3.5Å; M120-C124 WeakPolarHBondContact O-CB 3.5Å; M120-C124 PolarHBondContact O-N 2.89Å; M120-C124 PolarHBondContact O-SG 2.87Å; M120-L169 HydrophobicContact CB-CD1 4.32Å; M120-L169 HydrophobicContact CE-CB 3.52Å; M120-L169 VanDerWaalsContact CE-O 3.29Å; M120-L169 WeakPolarHBondContact CE-O 3.48Å; M120-L169 HydrophobicContact CG-CB 3.72Å; M120-L169 HydrophobicContact CG-CD1 3.63Å; M120-L169 HydrophobicContact CG-CG 4.23Å; M120-L169 HydrophobicContact SD-CB 4.47Å; M120-M170 HydrophobicContact CE-CB 4.45Å; M120-M170 HydrophobicContact CE-CG 3.95Å; M120-M170 HydrophobicContact CE-SD 3.55Å; M120-M170 VanDerWaalsContact CE-SD 3.55Å; M120-F173 HydrophobicContact CE-CB 3.82Å; M120-F173 HydrophobicContact CE-CG 4.31Å
121I76.9Confident77.4Confident28 Ų2841.3 Ų41.314%0.14420%0.204CC..Hα-helixtrans-61.9-49.1175.4-68.3-169.8000111Y65 E69 I72 S117 N118 I119 I123 C124 E125Y65-I121 HydrophobicContact CD2-CG2 4.32Å; Y65-I121 HydrophobicContact CE2-CG2 3.72Å; E69-I121 HydrophobicContact CB-CD1 4.33Å; I72-I121 HydrophobicContact CD1-CD1 3.25Å; I72-I121 HydrophobicContact CD1-CG1 3.88Å; I72-I121 HydrophobicContact CG1-CD1 4.27Å; S117-I121 PolarHBondContact O-N 3.23Å; S117-I121 VanDerWaalsContact O-N 3.11Å; N118-I121 PolarHBondContact O-N 3.14Å; I119-I121 VanDerWaalsContact C-N 3.33Å; I119-I121 PolarHBondContact O-N 2.95Å; I121-I123 VanDerWaalsContact C-N 3.28Å; I121-I123 PolarHBondContact O-N 3.48Å; I121-C124 PolarHBondContact O-N 3.45Å; I121-C124 VanDerWaalsContact O-N 3.1Å; I121-E125 HydrophobicContact CG2-CG 4.42Å; I121-E125 PolarHBondContact O-N 2.91Å
122E81Confident76.9Confident97 Ų9737.3 Ų37.345%0.45319%0.194SC..Hα-helixtrans-54.8-44.8178.7-174.9-162.614200111.4N118 I119 S126 K265N118-E122 PolarHBondContact O-N 2.95Å; I119-E122 PolarHBondContact O-N 3.15Å; E122-S126 WeakPolarHBondContact O-CB 3.25Å; E122-S126 PolarHBondContact O-N 3.17Å; E122-K265 IonicContact OE1-NZ 3.27Å; E122-K265 PolarHBondContact OE1-NZ 2.61Å; E122-K265 IonicContact OE2-NZ 3.34Å
123I79.1Confident76.4Confident11 Ų1141.5 Ų41.56%0.05622%0.217CC..Hα-helixtrans-67.6-43.6178.4-65.3-176000110.7I119 M120 I121 E125 S126 R127 F162 E165 L169 L262I119-I123 HydrophobicContact CG2-CD1 4.06Å; I119-I123 HydrophobicContact CG2-CG1 4.33Å; I119-I123 WeakPolarHBondContact O-CG1 3.42Å; I119-I123 PolarHBondContact O-N 3.27Å; M120-I123 PolarHBondContact O-N 3.5Å; I121-I123 VanDerWaalsContact C-N 3.28Å; I121-I123 PolarHBondContact O-N 3.48Å; I123-E125 PolarHBondContact O-N 3.15Å; I123-S126 PolarHBondContact O-N 2.66Å; I123-R127 HydrophobicContact CG2-CG 3.92Å; I123-R127 VanDerWaalsContact O-CB 3.25Å; I123-R127 WeakPolarHBondContact O-CB 3.21Å; I123-R127 WeakPolarHBondContact O-CG 3.35Å; I123-R127 PolarHBondContact O-N 3.3Å; I123-F162 HydrophobicContact CG2-CD2 3.79Å; I123-F162 HydrophobicContact CG2-CE2 3.83Å; I123-E165 HydrophobicContact CD1-CB 4.06Å; I123-E165 HydrophobicContact CG2-CB 4.45Å; I123-L169 HydrophobicContact CD1-CD1 3.59Å; I123-L262 HydrophobicContact CD1-CD2 3.81Å
124C76.2Confident75.9Confident0 Ų042.7 Ų42.70%023%0.225CC..Hα-helixtrans-59-46177.6-70.20000111.7I61 Y65 M120 I121 R127 K128I61-C124 HydrophobicContact CG2-CB 4.29Å; I61-C124 WeakPolarHBondContact CG2-O 3.32Å; Y65-C124 HydrophobicContact CD2-CB 4.05Å; M120-C124 WeakPolarHBondContact O-CB 3.5Å; M120-C124 PolarHBondContact O-N 2.89Å; M120-C124 PolarHBondContact O-SG 2.87Å; I121-C124 PolarHBondContact O-N 3.45Å; I121-C124 VanDerWaalsContact O-N 3.1Å; C124-R127 PolarHBondContact O-N 2.94Å; C124-K128 VanDerWaalsContact O-CB 3.24Å; C124-K128 WeakPolarHBondContact O-CB 3.13Å; C124-K128 PolarHBondContact O-N 3.38Å
125E78.2Confident75.3Confident96 Ų9642.1 Ų42.145%0.44922%0.223SC..Hα-helixtrans-64.9-47.6177.3-69.4-174.8166.200112.2Y65 I121 I123 R127 K128 S129Y65-E125 HydrophobicContact CD2-CG 3.97Å; Y65-E125 HydrophobicContact CE2-CG 3.42Å; Y65-E125 VanDerWaalsContact CE2-CG 3.42Å; Y65-E125 VanDerWaalsContact CE2-OE1 3.25Å; Y65-E125 WeakPolarHBondContact CE2-OE1 3.44Å; Y65-E125 PolarHBondContact OH-OE1 3.39Å; I121-E125 HydrophobicContact CG2-CG 4.42Å; I121-E125 PolarHBondContact O-N 2.91Å; I123-E125 PolarHBondContact O-N 3.15Å; E125-R127 VanDerWaalsContact C-N 3.27Å; E125-R127 PolarHBondContact O-N 2.72Å; E125-K128 PolarHBondContact O-N 3.21Å; E125-S129 WeakPolarHBondContact O-CB 3.2Å; E125-S129 PolarHBondContact O-N 2.9Å
126S78.4Confident74.5Confident72 Ų7242.2 Ų42.250%0.50323%0.232SC..Hα-helixtrans-56.6-43.8178.3-1790000111.3E122 I123 H130E122-S126 WeakPolarHBondContact O-CB 3.25Å; E122-S126 PolarHBondContact O-N 3.17Å; I123-S126 PolarHBondContact O-N 2.66Å; S126-H130 WeakPolarHBondContact O-CB 3.13Å; S126-H130 PolarHBondContact O-N 2.78Å
127R73.7Confident73.7Confident30 Ų3047.1 Ų47.111%0.11326%0.258CS..Hα-helixtrans-77.4-38.5-176.3-63.9-76.2-174.6-167.8-0.5112.1I123 C124 E125 S129 H130 I131 F162 E165I123-R127 HydrophobicContact CG2-CG 3.92Å; I123-R127 VanDerWaalsContact O-CB 3.25Å; I123-R127 WeakPolarHBondContact O-CB 3.21Å; I123-R127 WeakPolarHBondContact O-CG 3.35Å; I123-R127 PolarHBondContact O-N 3.3Å; C124-R127 PolarHBondContact O-N 2.94Å; E125-R127 VanDerWaalsContact C-N 3.27Å; E125-R127 PolarHBondContact O-N 2.72Å; R127-S129 VanDerWaalsContact C-N 3.34Å; R127-S129 PolarHBondContact O-N 3.08Å; R127-H130 PolarHBondContact O-N 3.49Å; R127-I131 WeakPolarHBondContact O-CD1 3.4Å; R127-I131 VanDerWaalsContact O-CG1 3.31Å; R127-I131 WeakPolarHBondContact O-CG1 3.04Å; R127-I131 PolarHBondContact O-N 3.34Å; R127-F162 HydrophobicContact CB-CD2 3.86Å; R127-F162 HydrophobicContact CB-CE2 3.92Å; R127-F162 HydrophobicContact CB-CG 4.26Å; R127-F162 HydrophobicContact CB-CZ 4.42Å; R127-F162 HydrophobicContact CG-CB 4.34Å; R127-F162 HydrophobicContact CG-CD2 3.42Å; R127-F162 VanDerWaalsContact CG-CD2 3.42Å; R127-F162 HydrophobicContact CG-CE2 3.85Å; R127-F162 HydrophobicContact CG-CG 4Å; R127-E165 IonicContact CZ-OE2 2.74Å; R127-E165 IonicContact NE-OE2 3.79Å; R127-E165 PolarHBondContact NE-OE2 3.41Å; R127-E165 VanDerWaalsContact NH2-CD 3.3Å; R127-E165 IonicContact NH2-OE1 3.57Å; R127-E165 PolarHBondContact NH2-OE1 3.19Å; R127-E165 IonicContact NH2-OE2 3.25Å; R127-E165 PolarHBondContact NH2-OE2 3.32Å
128K73.5Confident72.9Confident77 Ų7750 Ų5034%0.33527%0.269SS..Hα-helixtrans-55.8-49.4169178.8179.9178.1170.30111.2I61 N62 C124 E125 I131 S132I61-K128 HydrophobicContact CG2-CB 3.95Å; N62-K128 VanDerWaalsContact OD1-CD 3.3Å; N62-K128 WeakPolarHBondContact OD1-CD 3.29Å; N62-K128 WeakPolarHBondContact OD1-CE 3.36Å; N62-K128 PolarHBondContact OD1-NZ 3.43Å; C124-K128 VanDerWaalsContact O-CB 3.24Å; C124-K128 WeakPolarHBondContact O-CB 3.13Å; C124-K128 PolarHBondContact O-N 3.38Å; E125-K128 PolarHBondContact O-N 3.21Å; K128-I131 PolarHBondContact O-N 3.3Å; K128-S132 VanDerWaalsContact O-CB 3.29Å; K128-S132 WeakPolarHBondContact O-CB 3.48Å; K128-S132 PolarHBondContact O-N 3.49Å; K128-S132 PolarHBondContact O-OG 3.17Å
129S74.7Confident71.8Confident62 Ų6251 Ų5143%0.43427%0.274SS..Hα-helixtrans-59.5-47.5176.8-179.30000111.5E125 R127 I131 S132 N133E125-S129 WeakPolarHBondContact O-CB 3.2Å; E125-S129 PolarHBondContact O-N 2.9Å; R127-S129 VanDerWaalsContact C-N 3.34Å; R127-S129 PolarHBondContact O-N 3.08Å; S129-I131 PolarHBondContact O-N 2.85Å; S129-S132 PolarHBondContact O-N 3.1Å; S129-N133 WeakPolarHBondContact O-CB 3.3Å; S129-N133 VanDerWaalsContact O-CG 3.23Å; S129-N133 PolarHBondContact O-N 3.43Å; S129-N133 PolarHBondContact O-ND2 3.08Å
130H71.8Confident70.2Confident74 Ų7456 Ų5634%0.34330%0.304SS..Hα-helixtrans-57.7-47.5177.5-176.6-89.1000113.1S126 R127 N133 T134 D158S126-H130 WeakPolarHBondContact O-CB 3.13Å; S126-H130 PolarHBondContact O-N 2.78Å; R127-H130 PolarHBondContact O-N 3.49Å; H130-N133 PolarHBondContact O-N 3.13Å; H130-T134 WeakPolarHBondContact O-CB 3.02Å; H130-T134 PolarHBondContact O-N 2.95Å; H130-T134 PolarHBondContact O-OG1 3.47Å; H130-D158 IonicContact CE1-OD2 2.61Å; H130-D158 PolarHBondContact CE1-OD2 3.5Å; H130-D158 IonicContact NE2-OD2 3.11Å
131I68.6Low68.9Low16 Ų1658.8 Ų58.88%0.08232%0.321CS..Hα-helixtrans-68.6-40.6-179.9-64155.7000110.4L54 L57 I58 I61 R127 K128 S129 N133 T134 I135L54-I131 HydrophobicContact CB-CG2 4.23Å; L54-I131 HydrophobicContact CD2-CG2 4.18Å; L57-I131 HydrophobicContact CD2-CD1 3.4Å; L57-I131 VanDerWaalsContact CD2-CD1 3.4Å; L57-I131 HydrophobicContact CD2-CG1 4.16Å; L57-I131 HydrophobicContact CG-CD1 3.93Å; I58-I131 HydrophobicContact CD1-CG2 3.87Å; I58-I131 HydrophobicContact CG1-CB 4.23Å; I58-I131 HydrophobicContact CG1-CG2 3.69Å; I61-I131 HydrophobicContact CD1-CD1 3.19Å; R127-I131 WeakPolarHBondContact O-CD1 3.4Å; R127-I131 VanDerWaalsContact O-CG1 3.31Å; R127-I131 WeakPolarHBondContact O-CG1 3.04Å; R127-I131 PolarHBondContact O-N 3.34Å; K128-I131 PolarHBondContact O-N 3.3Å; S129-I131 PolarHBondContact O-N 2.85Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 2.93Å; I131-T134 WeakPolarHBondContact O-CB 3.45Å; I131-T134 PolarHBondContact O-N 3.3Å; I131-T134 VanDerWaalsContact O-N 3.11Å; I131-I135 HydrophobicContact CG2-CD1 4.22Å; I131-I135 WeakPolarHBondContact O-CG1 3.45Å; I131-I135 PolarHBondContact O-N 3.11Å
132S71.5Confident67.5Low44 Ų4464.5 Ų64.531%0.30835%0.347SS..Hα-helixtrans-61.3-43.2177.3-56.70000111.2K128 S129 T134 I135 A136K128-S132 VanDerWaalsContact O-CB 3.29Å; K128-S132 WeakPolarHBondContact O-CB 3.48Å; K128-S132 PolarHBondContact O-N 3.49Å; K128-S132 PolarHBondContact O-OG 3.17Å; S129-S132 PolarHBondContact O-N 3.1Å; S132-T134 VanDerWaalsContact C-N 3.34Å; S132-I135 PolarHBondContact O-N 2.93Å; S132-A136 WeakPolarHBondContact O-CB 3.37Å; S132-A136 PolarHBondContact O-N 3.37Å
133N70.6Confident66Low88 Ų8870.8 Ų70.847%0.47137%0.368SS..Hα-helixtrans-65-37.4173.7-70.1-21.8000112S129 H130 I131 I135 A136 N137S129-N133 WeakPolarHBondContact O-CB 3.3Å; S129-N133 VanDerWaalsContact O-CG 3.23Å; S129-N133 PolarHBondContact O-N 3.43Å; S129-N133 PolarHBondContact O-ND2 3.08Å; H130-N133 PolarHBondContact O-N 3.13Å; I131-N133 VanDerWaalsContact C-N 3.33Å; I131-N133 PolarHBondContact O-N 2.93Å; N133-I135 VanDerWaalsContact C-N 3.34Å; N133-A136 PolarHBondContact O-N 3.39Å; N133-N137 VanDerWaalsContact O-CB 3.23Å; N133-N137 WeakPolarHBondContact O-CB 3.29Å; N133-N137 PolarHBondContact O-N 2.83Å; N133-N137 PolarHBondContact O-ND2 3.4Å
134T66.7Low64.7Low29 Ų2973.8 Ų73.818%0.17838%0.384CS..Hα-helixtrans-62.9-42.1175.3-590000111.2H130 I131 S132 R138H130-T134 WeakPolarHBondContact O-CB 3.02Å; H130-T134 PolarHBondContact O-N 2.95Å; H130-T134 PolarHBondContact O-OG1 3.47Å; I131-T134 WeakPolarHBondContact O-CB 3.45Å; I131-T134 PolarHBondContact O-N 3.3Å; I131-T134 VanDerWaalsContact O-N 3.11Å; S132-T134 VanDerWaalsContact C-N 3.34Å; T134-R138 WeakPolarHBondContact O-CB 3.4Å; T134-R138 VanDerWaalsContact O-CG 3.3Å; T134-R138 WeakPolarHBondContact O-CG 3.29Å; T134-R138 PolarHBondContact O-N 3.32Å
135I65.7Low63.7Low18 Ų1879.9 Ų79.99%0.09242%0.417CS..Hα-helixtrans-64.2-51.4175.3-67.3172.6000110.3Y51 L54 I58 I131 S132 N133 N137 R138 I139Y51-I135 HydrophobicContact CD2-CG2 4.12Å; Y51-I135 HydrophobicContact CE2-CG2 3.56Å; L54-I135 HydrophobicContact CB-CD1 3.92Å; L54-I135 HydrophobicContact CB-CG1 4.09Å; L54-I135 HydrophobicContact CD1-CG1 3.91Å; I58-I135 HydrophobicContact CD1-CD1 3.46Å; I58-I135 VanDerWaalsContact CD1-CD1 3.46Å; I131-I135 HydrophobicContact CG2-CD1 4.22Å; I131-I135 WeakPolarHBondContact O-CG1 3.45Å; I131-I135 PolarHBondContact O-N 3.11Å; S132-I135 PolarHBondContact O-N 2.93Å; N133-I135 VanDerWaalsContact C-N 3.34Å; I135-N137 PolarHBondContact O-N 3.13Å; I135-R138 PolarHBondContact O-N 3.17Å; I135-I139 HydrophobicContact CG2-CD1 4.26Å; I135-I139 WeakPolarHBondContact O-CG1 3.45Å; I135-I139 PolarHBondContact O-N 3.01Å; I135-I139 VanDerWaalsContact O-N 3.17Å
136A65.8Low62.6Low48 Ų4881.8 Ų81.840%0.39743%0.43SS..Hα-helixtrans-58.9-45.6-179.400000112S132 N133 R138 I139S132-A136 WeakPolarHBondContact O-CB 3.37Å; S132-A136 PolarHBondContact O-N 3.37Å; N133-A136 PolarHBondContact O-N 3.39Å; A136-R138 PolarHBondContact O-N 3.32Å; A136-I139 PolarHBondContact O-N 3.3Å
137N64Low61.5Low103 Ų10384.2 Ų84.255%0.55143%0.432SS*.Hα-helixtrans-68.8-32.4178.8-70.4-22.9000112.5N133 I135 V140 V141N133-N137 VanDerWaalsContact O-CB 3.23Å; N133-N137 WeakPolarHBondContact O-CB 3.29Å; N133-N137 PolarHBondContact O-N 2.83Å; N133-N137 PolarHBondContact O-ND2 3.4Å; I135-N137 PolarHBondContact O-N 3.13Å; N137-V140 PolarHBondContact O-N 2.79Å; N137-V140 VanDerWaalsContact O-N 3.13Å; N137-V141 VanDerWaalsContact O-CG2 3.26Å; N137-V141 WeakPolarHBondContact O-CG2 3.43Å; N137-V141 PolarHBondContact O-N 3.37Å
138R58.1Low60.4Low60 Ų6087 Ų8723%0.22645%0.445CS..Hα-helixtrans-68.3-34.9176.3-82.8-172-172.8-161.616.7113H50 T134 I135 A136 V140 V141 N151 S155H50-R138 PolarHBondContact CD2-NH1 2.8Å; H50-R138 VanDerWaalsContact NE2-CZ 3.31Å; H50-R138 PolarHBondContact NE2-NH1 2.89Å; H50-R138 PolarHBondContact NE2-NH2 3Å; T134-R138 WeakPolarHBondContact O-CB 3.4Å; T134-R138 VanDerWaalsContact O-CG 3.3Å; T134-R138 WeakPolarHBondContact O-CG 3.29Å; T134-R138 PolarHBondContact O-N 3.32Å; I135-R138 PolarHBondContact O-N 3.17Å; A136-R138 PolarHBondContact O-N 3.32Å; R138-V140 PolarHBondContact O-N 3.08Å; R138-V141 PolarHBondContact O-N 2.82Å; R138-N151 PolarHBondContact NH2-O 3.24Å; R138-S155 PolarHBondContact NH2-OG 2.97Å
139I53.4Low59.4Low108 Ų10890.6 Ų90.655%0.55446%0.46SS*.Hα-helixtrans-59.8-28.2171.9-64.6166.7000110.5I135 A136I135-I139 HydrophobicContact CG2-CD1 4.26Å; I135-I139 WeakPolarHBondContact O-CG1 3.45Å; I135-I139 PolarHBondContact O-N 3.01Å; I135-I139 VanDerWaalsContact O-N 3.17Å; A136-I139 PolarHBondContact O-N 3.3Å
140V49.6Very low58.5Low114 Ų11492.6 Ų92.669%0.69147%0.466SS*.Hα-helixtrans-89.5-32.4-179.3-178.70000113.3N137 R138 E142N137-V140 PolarHBondContact O-N 2.79Å; N137-V140 VanDerWaalsContact O-N 3.13Å; R138-V140 PolarHBondContact O-N 3.08Å; V140-E142 VanDerWaalsContact C-N 3.32Å; V140-E142 PolarHBondContact O-N 2.88Å
141V49.2Very low57.7Low59 Ų5992.1 Ų92.136%0.35847%0.466SS..  trans-91.319.4-172.5-175.30000113.1N137 R138 Y143 D144N137-V141 VanDerWaalsContact O-CG2 3.26Å; N137-V141 WeakPolarHBondContact O-CG2 3.43Å; N137-V141 PolarHBondContact O-N 3.37Å; R138-V141 PolarHBondContact O-N 2.82Å; V141-Y143 PolarHBondContact O-N 3.13Å; V141-D144 PolarHBondContact O-N 3.49Å
142E48.5Very low57Low149 Ų14994.2 Ų94.270%0.69648%0.477SS*.THydrogen-bonded Turntrans-57.4-5.2-179.6-81.3-173.4164.900115.8V140V140-E142 VanDerWaalsContact C-N 3.32Å; V140-E142 PolarHBondContact O-N 2.88Å
143Y48.6Very low56Low228 Ų22897.2 Ų97.289%0.89449%0.488SS*.THydrogen-bonded Turntrans-101.11.1-176.9-75.7-83.1000117.2V141V141-Y143 PolarHBondContact O-N 3.13Å
144D52.4Low55.4Low74 Ų7497.3 Ų97.340%0.39649%0.488SS..  trans-134.2106.8-178.6-161.2-6.6000114.9V141 N146V141-D144 PolarHBondContact O-N 3.49Å; D144-N146 VanDerWaalsContact C-N 3.35Å; D144-N146 PolarHBondContact O-N 3.34Å
145N55Low55.1Low129 Ų12996.3 Ų96.369%0.6948%0.483SS*.Hα-helixtrans-65.3-29-173.6-79.7-32.2000114.3K148N145-K148 WeakPolarHBondContact O-CB 3.04Å
146N55Low54.7Low135 Ų13597 Ų9772%0.72249%0.486SS*.Hα-helixtrans-80.5-35.7-176.4-77.6-17.3000112.6D144 K148D144-N146 VanDerWaalsContact C-N 3.35Å; D144-N146 PolarHBondContact O-N 3.34Å; N146-K148 PolarHBondContact O-N 2.92Å
147K54.4Low54.4Low123 Ų12398.6 Ų98.654%0.53549%0.487SS..Hα-helixtrans-64.8-28.3172-78.4178.6177.8171.30112.1N151K147-N151 WeakPolarHBondContact O-CB 3.45Å; K147-N151 PolarHBondContact O-N 2.93Å; K147-N151 VanDerWaalsContact O-N 3.09Å; K147-N151 PolarHBondContact O-ND2 2.92Å; K147-N151 PolarHBondContact O-OD1 3.39Å
148K51Low54.5Low89 Ų8995.8 Ų95.839%0.38747%0.472SS..Hα-helixtrans-64.1-45.5-175.7-166.3172.7-177.4166.80114.3E47 N145 N146 N151 L152E47-K148 WeakPolarHBondContact OE1-CE 3.37Å; E47-K148 IonicContact OE1-NZ 3.94Å; E47-K148 PolarHBondContact OE1-NZ 2.79Å; N145-K148 WeakPolarHBondContact O-CB 3.04Å; N146-K148 PolarHBondContact O-N 2.92Å; K148-N151 PolarHBondContact O-N 3.21Å; K148-L152 PolarHBondContact O-N 3.42Å; K148-L152 VanDerWaalsContact O-N 3.14Å
149K53.6Low54.8Low152 Ų15293.7 Ų93.766%0.66147%0.465SS*.Hα-helixtrans-65.9-41-179.8-170.9178.4178.7-177.50111.8L152 M153K149-L152 PolarHBondContact O-N 3.02Å; K149-M153 PolarHBondContact O-N 2.96Å
150N54.8Low55.5Low105 Ų10590.8 Ų90.856%0.56145%0.45SS*.Hα-helixtrans-65.2-42.1177.2-69.7-4.8000111.3L152 M153 N154N150-L152 VanDerWaalsContact C-N 3.31Å; N150-L152 PolarHBondContact O-N 3.46Å; N150-M153 PolarHBondContact O-N 3.36Å; N150-N154 WeakPolarHBondContact O-CB 3.49Å; N150-N154 PolarHBondContact O-N 2.83Å; N150-N154 PolarHBondContact O-OD1 2.86Å
151N55.3Low56.6Low64 Ų6487.7 Ų87.734%0.34243%0.429SS..Hα-helixtrans-64.6-32.9177.7-70.5-9.2000113.2R138 K147 K148 S155R138-N151 PolarHBondContact NH2-O 3.24Å; K147-N151 WeakPolarHBondContact O-CB 3.45Å; K147-N151 PolarHBondContact O-N 2.93Å; K147-N151 VanDerWaalsContact O-N 3.09Å; K147-N151 PolarHBondContact O-ND2 2.92Å; K147-N151 PolarHBondContact O-OD1 3.39Å; K148-N151 PolarHBondContact O-N 3.21Å; N151-S155 WeakPolarHBondContact O-CB 3.24Å; N151-S155 PolarHBondContact O-N 3.22Å; N151-S155 VanDerWaalsContact O-N 3.08Å; N151-S155 PolarHBondContact O-OG 3.14Å
152L53.5Low57.8Low59 Ų5985.2 Ų85.231%0.30941%0.413SS..Hα-helixtrans-69.7-47.4176-171.470.7000111.8H50 K148 K149 N150 N154 S155 N156H50-L152 WeakPolarHBondContact CE1-CD1 3.27Å; H50-L152 WeakPolarHBondContact ND1-CD1 3.32Å; K148-L152 PolarHBondContact O-N 3.42Å; K148-L152 VanDerWaalsContact O-N 3.14Å; K149-L152 PolarHBondContact O-N 3.02Å; N150-L152 VanDerWaalsContact C-N 3.31Å; N150-L152 PolarHBondContact O-N 3.46Å; L152-N154 VanDerWaalsContact C-N 3.34Å; L152-N154 PolarHBondContact O-N 3.2Å; L152-S155 WeakPolarHBondContact CA-OG 3.45Å; L152-S155 PolarHBondContact O-N 2.91Å; L152-S155 PolarHBondContact O-OG 3.37Å; L152-N156 PolarHBondContact O-N 2.84Å; L152-N156 VanDerWaalsContact O-N 3.16Å
153M51.6Low58.8Low108 Ų10879.5 Ų79.553%0.53239%0.387SS..Hα-helixtrans-61-44176.7-72.4-64.5177.100111.4K149 N150 S155 N156 I157K149-M153 PolarHBondContact O-N 2.96Å; N150-M153 PolarHBondContact O-N 3.36Å; M153-S155 PolarHBondContact O-N 3.14Å; M153-N156 PolarHBondContact O-N 3.32Å; M153-I157 WeakPolarHBondContact O-CG1 3.41Å; M153-I157 PolarHBondContact O-N 2.85Å; M153-I157 VanDerWaalsContact O-N 3.16Å
154N57.5Low60.1Low89 Ų8968.7 Ų68.748%0.47635%0.345SS..Hα-helixtrans-60.7-43.6176.1-68.9-4000111.6N150 L152 N156 I157 D158N150-N154 WeakPolarHBondContact O-CB 3.49Å; N150-N154 PolarHBondContact O-N 2.83Å; N150-N154 PolarHBondContact O-OD1 2.86Å; L152-N154 VanDerWaalsContact C-N 3.34Å; L152-N154 PolarHBondContact O-N 3.2Å; N154-N156 VanDerWaalsContact C-N 3.31Å; N154-N156 PolarHBondContact O-N 3.23Å; N154-I157 PolarHBondContact O-N 3.31Å; N154-I157 VanDerWaalsContact O-N 3.16Å; N154-D158 VanDerWaalsContact O-CG 3.29Å; N154-D158 PolarHBondContact O-N 3.18Å
155S59.4Low61.4Low9 Ų965.4 Ų65.46%0.06333%0.327CS..Hα-helixtrans-63.7-32.7179.462.40000114.2R138 N151 L152 M153 L159R138-S155 PolarHBondContact NH2-OG 2.97Å; N151-S155 WeakPolarHBondContact O-CB 3.24Å; N151-S155 PolarHBondContact O-N 3.22Å; N151-S155 VanDerWaalsContact O-N 3.08Å; N151-S155 PolarHBondContact O-OG 3.14Å; L152-S155 WeakPolarHBondContact CA-OG 3.45Å; L152-S155 PolarHBondContact O-N 2.91Å; L152-S155 PolarHBondContact O-OG 3.37Å; M153-S155 PolarHBondContact O-N 3.14Å; S155-L159 WeakPolarHBondContact O-CB 3.14Å; S155-L159 PolarHBondContact O-N 3.22Å
156N57.9Low62.3Low31 Ų3159.7 Ų59.717%0.16630%0.297CS..Hα-helixtrans-70.5-41.1174.8-73.2-9.1000111L152 M153 N154 L159 E160L152-N156 PolarHBondContact O-N 2.84Å; L152-N156 VanDerWaalsContact O-N 3.16Å; M153-N156 PolarHBondContact O-N 3.32Å; N154-N156 VanDerWaalsContact C-N 3.31Å; N154-N156 PolarHBondContact O-N 3.23Å; N156-L159 VanDerWaalsContact O-CB 3.27Å; N156-L159 WeakPolarHBondContact O-CB 3.39Å; N156-L159 PolarHBondContact O-N 2.95Å; N156-E160 WeakPolarHBondContact O-CG 3.24Å; N156-E160 PolarHBondContact O-N 2.86Å; N156-E160 VanDerWaalsContact O-N 3.11Å
157I58.8Low63.3Low83 Ų8354.2 Ų54.243%0.42627%0.267SS..Hα-helixtrans-64.1-42.2176.7-65.6166.2000110.5M153 N154 L159 E160 I161M153-I157 WeakPolarHBondContact O-CG1 3.41Å; M153-I157 PolarHBondContact O-N 2.85Å; M153-I157 VanDerWaalsContact O-N 3.16Å; N154-I157 PolarHBondContact O-N 3.31Å; N154-I157 VanDerWaalsContact O-N 3.16Å; I157-L159 PolarHBondContact O-N 2.85Å; I157-E160 PolarHBondContact O-N 2.78Å; I157-I161 HydrophobicContact CG2-CD1 3.74Å; I157-I161 HydrophobicContact CG2-CG1 4.38Å; I157-I161 VanDerWaalsContact O-CG1 3.23Å; I157-I161 WeakPolarHBondContact O-CG1 3.44Å; I157-I161 PolarHBondContact O-N 2.92Å
158D65.9Low64.4Low44 Ų4448.4 Ų48.424%0.23524%0.241CC..Hα-helixtrans-60.9-33.6177.5-69.8-38.6000112.7H130 N154 F162H130-D158 IonicContact CE1-OD2 2.61Å; H130-D158 PolarHBondContact CE1-OD2 3.5Å; H130-D158 IonicContact NE2-OD2 3.11Å; N154-D158 VanDerWaalsContact O-CG 3.29Å; N154-D158 PolarHBondContact O-N 3.18Å; D158-F162 WeakPolarHBondContact O-CB 3.49Å; D158-F162 PolarHBondContact O-N 3.48Å
159L65.1Low65.8Low15 Ų1544.2 Ų44.28%0.07922%0.223CC..Hα-helixtrans-68.5-48.9176.5-100.8172.8000112.7L57 S155 N156 I157 I161 F162 I163L57-L159 HydrophobicContact CD1-CD2 3.42Å; L57-L159 VanDerWaalsContact CD1-CD2 3.42Å; L57-L159 HydrophobicContact CD2-CD1 4.01Å; L57-L159 HydrophobicContact CD2-CD2 3.19Å; L57-L159 HydrophobicContact CD2-CG 3.74Å; L57-L159 HydrophobicContact CG-CD2 3.88Å; S155-L159 WeakPolarHBondContact O-CB 3.14Å; S155-L159 PolarHBondContact O-N 3.22Å; N156-L159 VanDerWaalsContact O-CB 3.27Å; N156-L159 WeakPolarHBondContact O-CB 3.39Å; N156-L159 PolarHBondContact O-N 2.95Å; I157-L159 PolarHBondContact O-N 2.85Å; L159-I161 VanDerWaalsContact C-N 3.3Å; L159-I161 PolarHBondContact O-N 3.16Å; L159-F162 PolarHBondContact O-N 3.42Å; L159-I163 HydrophobicContact CD2-CD1 4.36Å; L159-I163 WeakPolarHBondContact O-CG1 3.26Å; L159-I163 PolarHBondContact O-N 3.3Å
160E68Low66.7Low48 Ų4837 Ų3722%0.22419%0.191CC..Hα-helixtrans-60.9-43.3176.7-64.9-179.2168.600110.6N156 I157 I163 S164 Y251 Q254N156-E160 WeakPolarHBondContact O-CG 3.24Å; N156-E160 PolarHBondContact O-N 2.86Å; N156-E160 VanDerWaalsContact O-N 3.11Å; I157-E160 PolarHBondContact O-N 2.78Å; E160-I163 PolarHBondContact O-N 2.9Å; E160-S164 WeakPolarHBondContact O-CB 3.45Å; E160-S164 PolarHBondContact O-N 3.3Å; E160-S164 PolarHBondContact O-OG 3.32Å; E160-S164 VanDerWaalsContact O-OG 3.14Å; E160-Y251 HydrophobicContact CB-CD1 4.49Å; E160-Y251 HydrophobicContact CB-CD2 4.23Å; E160-Y251 HydrophobicContact CB-CE2 4.21Å; E160-Y251 HydrophobicContact CB-CG 4.37Å; E160-Y251 HydrophobicContact CG-CD1 4.19Å; E160-Y251 HydrophobicContact CG-CD2 4.31Å; E160-Y251 HydrophobicContact CG-CE1 3.75Å; E160-Y251 HydrophobicContact CG-CE2 3.86Å; E160-Y251 HydrophobicContact CG-CG 4.46Å; E160-Y251 WeakPolarHBondContact OE1-CE1 3.45Å; E160-Q254 HydrophobicContact CB-CG 4.09Å; E160-Q254 PolarHBondContact OE2-NE2 3.45Å
161I73.6Confident67.7Low49 Ų4933.7 Ų33.725%0.25117%0.174SC..Hα-helixtrans-60.7-46.4175-65.8167000110.6I157 L159 I163 S164 E165 Q254I157-I161 HydrophobicContact CG2-CD1 3.74Å; I157-I161 HydrophobicContact CG2-CG1 4.38Å; I157-I161 VanDerWaalsContact O-CG1 3.23Å; I157-I161 WeakPolarHBondContact O-CG1 3.44Å; I157-I161 PolarHBondContact O-N 2.92Å; L159-I161 VanDerWaalsContact C-N 3.3Å; L159-I161 PolarHBondContact O-N 3.16Å; I161-I163 VanDerWaalsContact C-N 3.33Å; I161-I163 PolarHBondContact O-N 3.1Å; I161-S164 PolarHBondContact O-N 3.45Å; I161-E165 HydrophobicContact CG2-CG 4.3Å; I161-E165 WeakPolarHBondContact O-CB 3.13Å; I161-E165 VanDerWaalsContact O-CG 3.3Å; I161-E165 WeakPolarHBondContact O-CG 3.3Å; I161-E165 PolarHBondContact O-N 2.96Å; I161-Q254 HydrophobicContact CG1-CG 4.39Å
162F73.1Confident68.8Low6 Ų632.5 Ų32.53%0.02617%0.165CC..Hα-helixtrans-59.8-44.1179.5171.2-126.5000112.3I61 I123 R127 D158 L159 E165 L166I61-F162 HydrophobicContact CD1-CD1 4.36Å; I61-F162 HydrophobicContact CD1-CE1 3.75Å; I61-F162 HydrophobicContact CD1-CZ 4.09Å; I61-F162 HydrophobicContact CG1-CD1 4.48Å; I61-F162 HydrophobicContact CG1-CE1 3.45Å; I61-F162 VanDerWaalsContact CG1-CE1 3.45Å; I61-F162 HydrophobicContact CG1-CZ 3.66Å; I61-F162 HydrophobicContact CG2-CZ 4.48Å; I123-F162 HydrophobicContact CG2-CD2 3.79Å; I123-F162 HydrophobicContact CG2-CE2 3.83Å; R127-F162 HydrophobicContact CB-CD2 3.86Å; R127-F162 HydrophobicContact CB-CE2 3.92Å; R127-F162 HydrophobicContact CB-CG 4.26Å; R127-F162 HydrophobicContact CB-CZ 4.42Å; R127-F162 HydrophobicContact CG-CB 4.34Å; R127-F162 HydrophobicContact CG-CD2 3.42Å; R127-F162 VanDerWaalsContact CG-CD2 3.42Å; R127-F162 HydrophobicContact CG-CE2 3.85Å; R127-F162 HydrophobicContact CG-CG 4Å; D158-F162 WeakPolarHBondContact O-CB 3.49Å; D158-F162 PolarHBondContact O-N 3.48Å; L159-F162 PolarHBondContact O-N 3.42Å; F162-E165 WeakPolarHBondContact O-CB 3.35Å; F162-E165 PolarHBondContact O-N 2.96Å; F162-L166 HydrophobicContact CD1-CD1 4.4Å; F162-L166 HydrophobicContact CD2-CD1 4.31Å; F162-L166 HydrophobicContact CD2-CG 4.05Å; F162-L166 HydrophobicContact CE1-CD1 3.69Å; F162-L166 HydrophobicContact CE1-CG 4.46Å; F162-L166 HydrophobicContact CE2-CD1 3.64Å; F162-L166 HydrophobicContact CE2-CD2 3.92Å; F162-L166 HydrophobicContact CE2-CG 3.58Å; F162-L166 HydrophobicContact CZ-CD1 3.3Å; F162-L166 HydrophobicContact CZ-CD2 4.27Å; F162-L166 HydrophobicContact CZ-CG 3.83Å; F162-L166 PolarHBondContact O-N 3.18Å
163I70.4Confident69.9Low30 Ų3029.7 Ų29.715%0.15415%0.15CC..Hα-helixtrans-72.9-38-176.5-64.5164.6000110.6L29 L159 E160 I161 E165 L166 H167L29-I163 HydrophobicContact CD1-CB 3.95Å; L29-I163 HydrophobicContact CD1-CD1 3.38Å; L29-I163 HydrophobicContact CD1-CG1 4.19Å; L29-I163 HydrophobicContact CD1-CG2 3.43Å; L29-I163 VanDerWaalsContact CD1-CG2 3.43Å; L29-I163 HydrophobicContact CD2-CD1 3.23Å; L29-I163 HydrophobicContact CG-CD1 3.42Å; L29-I163 VanDerWaalsContact CG-CD1 3.42Å; L159-I163 HydrophobicContact CD2-CD1 4.36Å; L159-I163 WeakPolarHBondContact O-CG1 3.26Å; L159-I163 PolarHBondContact O-N 3.3Å; E160-I163 PolarHBondContact O-N 2.9Å; I161-I163 VanDerWaalsContact C-N 3.33Å; I161-I163 PolarHBondContact O-N 3.1Å; I163-E165 VanDerWaalsContact C-N 3.33Å; I163-E165 PolarHBondContact O-N 2.96Å; I163-L166 PolarHBondContact O-N 3.3Å; I163-H167 VanDerWaalsContact O-CB 3.31Å; I163-H167 WeakPolarHBondContact O-CB 3.15Å; I163-H167 PolarHBondContact O-N 3Å
164S75.2Confident70.9Confident1 Ų124.7 Ų24.71%0.00713%0.126CC..Hα-helixtrans-59.7-42.6168.9-70.60000112.3E160 I161 H167 V168 Q254 Y255E160-S164 WeakPolarHBondContact O-CB 3.45Å; E160-S164 PolarHBondContact O-N 3.3Å; E160-S164 PolarHBondContact O-OG 3.32Å; E160-S164 VanDerWaalsContact O-OG 3.14Å; I161-S164 PolarHBondContact O-N 3.45Å; S164-H167 PolarHBondContact O-N 3.26Å; S164-V168 VanDerWaalsContact O-CG2 3.27Å; S164-V168 WeakPolarHBondContact O-CG2 2.92Å; S164-V168 PolarHBondContact O-N 3.34Å; S164-Q254 VanDerWaalsContact OG-CB 3.29Å; S164-Q254 WeakPolarHBondContact OG-CB 3.35Å; S164-Y255 PolarHBondContact OG-N 3.44Å
165E80.1Confident71.8Confident5 Ų523.8 Ų23.82%0.02312%0.118CC..Hα-helixtrans-61.9-45.7176.1-77.6174.3165.100111.9I123 R127 I161 F162 I163 H167 L169 A258 R261 L262I123-E165 HydrophobicContact CD1-CB 4.06Å; I123-E165 HydrophobicContact CG2-CB 4.45Å; R127-E165 IonicContact CZ-OE2 2.74Å; R127-E165 IonicContact NE-OE2 3.79Å; R127-E165 PolarHBondContact NE-OE2 3.41Å; R127-E165 VanDerWaalsContact NH2-CD 3.3Å; R127-E165 IonicContact NH2-OE1 3.57Å; R127-E165 PolarHBondContact NH2-OE1 3.19Å; R127-E165 IonicContact NH2-OE2 3.25Å; R127-E165 PolarHBondContact NH2-OE2 3.32Å; I161-E165 HydrophobicContact CG2-CG 4.3Å; I161-E165 WeakPolarHBondContact O-CB 3.13Å; I161-E165 VanDerWaalsContact O-CG 3.3Å; I161-E165 WeakPolarHBondContact O-CG 3.3Å; I161-E165 PolarHBondContact O-N 2.96Å; F162-E165 WeakPolarHBondContact O-CB 3.35Å; F162-E165 PolarHBondContact O-N 2.96Å; I163-E165 VanDerWaalsContact C-N 3.33Å; I163-E165 PolarHBondContact O-N 2.96Å; E165-H167 PolarHBondContact O-N 3.1Å; E165-L169 VanDerWaalsContact O-CG 3.32Å; E165-L169 WeakPolarHBondContact O-CG 3.47Å; E165-L169 PolarHBondContact O-N 2.76Å; E165-L169 VanDerWaalsContact O-N 3.15Å; E165-A258 HydrophobicContact CG-CB 3.87Å; E165-R261 IonicContact OE1-CZ 2.75Å; E165-R261 IonicContact OE1-NH1 3.22Å; E165-R261 PolarHBondContact OE1-NH1 3.22Å; E165-L262 HydrophobicContact CB-CD1 4.18Å; E165-L262 HydrophobicContact CG-CD1 4.23Å
166L75.2Confident72.7Confident9 Ų924 Ų245%0.04712%0.118CC..Hα-helixtrans-61.6-43.7176-76.5-176.6000112.1Y68 F162 I163 L169 M170Y68-L166 HydrophobicContact CE2-CD2 4.25Å; F162-L166 HydrophobicContact CD1-CD1 4.4Å; F162-L166 HydrophobicContact CD2-CD1 4.31Å; F162-L166 HydrophobicContact CD2-CG 4.05Å; F162-L166 HydrophobicContact CE1-CD1 3.69Å; F162-L166 HydrophobicContact CE1-CG 4.46Å; F162-L166 HydrophobicContact CE2-CD1 3.64Å; F162-L166 HydrophobicContact CE2-CD2 3.92Å; F162-L166 HydrophobicContact CE2-CG 3.58Å; F162-L166 HydrophobicContact CZ-CD1 3.3Å; F162-L166 HydrophobicContact CZ-CD2 4.27Å; F162-L166 HydrophobicContact CZ-CG 3.83Å; F162-L166 PolarHBondContact O-N 3.18Å; I163-L166 PolarHBondContact O-N 3.3Å; L166-L169 PolarHBondContact O-N 3.18Å; L166-M170 WeakPolarHBondContact O-CG 3.2Å; L166-M170 PolarHBondContact O-N 3.48Å
167H74.2Confident73.5Confident20 Ų2022.5 Ų22.59%0.09311%0.11CC..Hα-helixtrans-65.1-47.1-178.3-161145.6000111.1I163 S164 E165 L169 M170 D171 M247 M249I163-H167 VanDerWaalsContact O-CB 3.31Å; I163-H167 WeakPolarHBondContact O-CB 3.15Å; I163-H167 PolarHBondContact O-N 3Å; S164-H167 PolarHBondContact O-N 3.26Å; E165-H167 PolarHBondContact O-N 3.1Å; H167-L169 PolarHBondContact O-N 3.31Å; H167-M170 WeakPolarHBondContact O-CB 3.46Å; H167-M170 PolarHBondContact O-N 2.8Å; H167-D171 IonicContact CD2-OD1 2.79Å; H167-D171 PolarHBondContact CD2-OD1 2.98Å; H167-D171 IonicContact CD2-OD2 3.87Å; H167-D171 PolarHBondContact CD2-OD2 3.48Å; H167-D171 IonicContact NE2-OD1 3.78Å; H167-D171 PolarHBondContact O-N 2.57Å; H167-M247 PolarHBondContact CE1-O 2.91Å; H167-M247 PolarHBondContact NE2-O 2.95Å; H167-M249 HydrophobicContact CB-CE 3.69Å; H167-M249 VanDerWaalsContact CE1-CE 3.47Å; H167-M249 WeakPolarHBondContact CE1-CE 3.39Å; H167-M249 WeakPolarHBondContact ND1-CE 3.31Å
168V78.6Confident74.2Confident1 Ų119.8 Ų19.81%0.00610%0.098CC..Hα-helixtrans-52.8-45.4173.4169.60000111S164 D171 Y172 Y255 A258 Q259 L262S164-V168 VanDerWaalsContact O-CG2 3.27Å; S164-V168 WeakPolarHBondContact O-CG2 2.92Å; S164-V168 PolarHBondContact O-N 3.34Å; V168-D171 PolarHBondContact O-N 3.49Å; V168-Y172 HydrophobicContact CG1-CD2 3.72Å; V168-Y172 HydrophobicContact CG1-CE2 3.59Å; V168-Y172 WeakPolarHBondContact O-CD2 3.38Å; V168-Y172 PolarHBondContact O-N 3.5Å; V168-Y172 VanDerWaalsContact O-N 3.13Å; V168-Y255 HydrophobicContact CB-CD2 4.45Å; V168-Y255 HydrophobicContact CB-CE2 4.07Å; V168-Y255 HydrophobicContact CG2-CD2 3.27Å; V168-Y255 HydrophobicContact CG2-CE2 3.21Å; V168-Y255 HydrophobicContact CG2-CG 4.1Å; V168-A258 HydrophobicContact CG2-CB 3.95Å; V168-Q259 HydrophobicContact CG1-CB 4.41Å; V168-Q259 HydrophobicContact CG2-CB 4.09Å; V168-L262 HydrophobicContact CB-CD1 3.82Å; V168-L262 HydrophobicContact CG1-CB 4.11Å; V168-L262 HydrophobicContact CG1-CD1 3.65Å
169L79.6Confident74.7Confident0 Ų020.8 Ų20.80%010%0.099CC..Hα-helixtrans-66.2-39.3179.9-68.6172.5000111.9I116 I119 M120 I123 E165 L166 H167 Y172 F173 L262 I266I116-L169 HydrophobicContact CG2-CB 4.26Å; I116-L169 HydrophobicContact CG2-CD2 4.16Å; I116-L169 WeakPolarHBondContact CG2-O 3.32Å; I119-L169 HydrophobicContact CB-CD2 4.3Å; I119-L169 HydrophobicContact CG2-CD1 3.91Å; I119-L169 HydrophobicContact CG2-CD2 3.81Å; M120-L169 HydrophobicContact CB-CD1 4.32Å; M120-L169 HydrophobicContact CE-CB 3.52Å; M120-L169 VanDerWaalsContact CE-O 3.29Å; M120-L169 WeakPolarHBondContact CE-O 3.48Å; M120-L169 HydrophobicContact CG-CB 3.72Å; M120-L169 HydrophobicContact CG-CD1 3.63Å; M120-L169 HydrophobicContact CG-CG 4.23Å; M120-L169 HydrophobicContact SD-CB 4.47Å; I123-L169 HydrophobicContact CD1-CD1 3.59Å; E165-L169 VanDerWaalsContact O-CG 3.32Å; E165-L169 WeakPolarHBondContact O-CG 3.47Å; E165-L169 PolarHBondContact O-N 2.76Å; E165-L169 VanDerWaalsContact O-N 3.15Å; L166-L169 PolarHBondContact O-N 3.18Å; H167-L169 PolarHBondContact O-N 3.31Å; L169-Y172 PolarHBondContact O-N 3.38Å; L169-F173 WeakPolarHBondContact O-CB 3.27Å; L169-F173 PolarHBondContact O-N 3.26Å; L169-L262 HydrophobicContact CD2-CD1 4.15Å; L169-L262 HydrophobicContact CD2-CD2 4.35Å; L169-L262 HydrophobicContact CG-CD1 3.94Å; L169-I266 HydrophobicContact CD2-CD1 4.01Å
170M73.7Confident75.2Confident0 Ų020.4 Ų20.40%010%0.097CC..Hα-helixtrans-62.1-42.3175.6-75.8-62.8-65.700111.6L17 I24 Y68 M120 L166 H167 F173 I174 M247L17-M170 HydrophobicContact CD2-CE 4.25Å; I24-M170 HydrophobicContact CD1-CE 4.43Å; I24-M170 HydrophobicContact CD1-CG 3.88Å; I24-M170 HydrophobicContact CD1-SD 4.4Å; Y68-M170 HydrophobicContact CE1-SD 3.81Å; Y68-M170 PolarHBondContact OH-SD 3.24Å; M120-M170 HydrophobicContact CE-CB 4.45Å; M120-M170 HydrophobicContact CE-CG 3.95Å; M120-M170 HydrophobicContact CE-SD 3.55Å; M120-M170 VanDerWaalsContact CE-SD 3.55Å; L166-M170 WeakPolarHBondContact O-CG 3.2Å; L166-M170 PolarHBondContact O-N 3.48Å; H167-M170 WeakPolarHBondContact O-CB 3.46Å; H167-M170 PolarHBondContact O-N 2.8Å; M170-F173 PolarHBondContact O-N 3.04Å; M170-I174 HydrophobicContact CE-CD1 4.4Å; M170-I174 WeakPolarHBondContact O-CB 3.48Å; M170-I174 WeakPolarHBondContact O-CD1 3.43Å; M170-I174 VanDerWaalsContact O-CG1 3.25Å; M170-I174 WeakPolarHBondContact O-CG1 3.24Å; M170-I174 PolarHBondContact O-N 2.91Å; M170-M247 HydrophobicContact CB-CE 4.11Å; M170-M247 HydrophobicContact CB-SD 4.29Å
171D75.6Confident75.4Confident36 Ų3618.2 Ų18.219%0.1939%0.087CC..Hα-helixtrans-59.8-52.4177-62.6-22.7000111H167 V168 F173 I174 E175 M247 Y255H167-D171 IonicContact CD2-OD1 2.79Å; H167-D171 PolarHBondContact CD2-OD1 2.98Å; H167-D171 IonicContact CD2-OD2 3.87Å; H167-D171 PolarHBondContact CD2-OD2 3.48Å; H167-D171 IonicContact NE2-OD1 3.78Å; H167-D171 PolarHBondContact O-N 2.57Å; V168-D171 PolarHBondContact O-N 3.49Å; D171-F173 VanDerWaalsContact C-N 3.27Å; D171-F173 PolarHBondContact O-N 2.92Å; D171-I174 PolarHBondContact O-N 3.15Å; D171-E175 WeakPolarHBondContact O-CB 3.17Å; D171-E175 PolarHBondContact O-N 3.37Å; D171-M247 WeakPolarHBondContact OD1-CE 3.05Å; D171-Y255 WeakPolarHBondContact OD2-CE2 3.25Å; D171-Y255 PolarHBondContact OD2-OH 3.32Å
172Y77.4Confident75.4Confident39 Ų3919.2 Ų19.215%0.1539%0.091CC..Hα-helixtrans-59-42175.8-80-67.1000111.4V168 L169 E175 Y176 I266V168-Y172 HydrophobicContact CG1-CD2 3.72Å; V168-Y172 HydrophobicContact CG1-CE2 3.59Å; V168-Y172 WeakPolarHBondContact O-CD2 3.38Å; V168-Y172 PolarHBondContact O-N 3.5Å; V168-Y172 VanDerWaalsContact O-N 3.13Å; L169-Y172 PolarHBondContact O-N 3.38Å; Y172-E175 PolarHBondContact O-N 3.39Å; Y172-Y176 HydrophobicContact CD1-CE2 4.02Å; Y172-Y176 WeakPolarHBondContact O-CD2 3.43Å; Y172-Y176 PolarHBondContact O-N 2.87Å; Y172-I266 HydrophobicContact CD1-CD1 4.5Å; Y172-I266 HydrophobicContact CD2-CD1 3.38Å; Y172-I266 HydrophobicContact CE2-CD1 3.68Å; Y172-I266 HydrophobicContact CG-CD1 3.85Å
173F77.7Confident75.6Confident0 Ų019.3 Ų19.30%09%0.092CC..Hα-helixtrans-62.9-47.5-178.7-173-89.3000111.8L17 L71 L75 I113 I116 S117 M120 L169 M170 D171 Y176 L177L17-F173 HydrophobicContact CD1-CD1 4.24Å; L17-F173 HydrophobicContact CD1-CE1 3.52Å; L17-F173 HydrophobicContact CD1-CZ 4.49Å; L17-F173 HydrophobicContact CD2-CD1 3.59Å; L17-F173 HydrophobicContact CD2-CE1 3.34Å; L17-F173 HydrophobicContact CD2-CZ 4.33Å; L17-F173 HydrophobicContact CG-CE1 4Å; L71-F173 HydrophobicContact CD1-CZ 4.29Å; L71-F173 HydrophobicContact CD2-CE1 4.04Å; L71-F173 HydrophobicContact CD2-CE2 4.02Å; L71-F173 HydrophobicContact CD2-CZ 3.6Å; L71-F173 HydrophobicContact CG-CZ 4.24Å; L75-F173 HydrophobicContact CD1-CE2 4.33Å; L75-F173 HydrophobicContact CD1-CZ 4.35Å; I113-F173 HydrophobicContact CB-CE2 4.49Å; I113-F173 HydrophobicContact CG2-CD2 4.31Å; I113-F173 HydrophobicContact CG2-CE2 3.45Å; I113-F173 VanDerWaalsContact CG2-CE2 3.45Å; I113-F173 HydrophobicContact CG2-CZ 3.85Å; I116-F173 HydrophobicContact CB-CD2 4.43Å; I116-F173 HydrophobicContact CG2-CB 3.87Å; I116-F173 HydrophobicContact CG2-CD2 4.07Å; I116-F173 HydrophobicContact CG2-CG 4.46Å; S117-F173 VanDerWaalsContact OG-CE2 3.28Å; S117-F173 WeakPolarHBondContact OG-CE2 3.41Å; M120-F173 HydrophobicContact CE-CB 3.82Å; M120-F173 HydrophobicContact CE-CG 4.31Å; L169-F173 WeakPolarHBondContact O-CB 3.27Å; L169-F173 PolarHBondContact O-N 3.26Å; M170-F173 PolarHBondContact O-N 3.04Å; D171-F173 VanDerWaalsContact C-N 3.27Å; D171-F173 PolarHBondContact O-N 2.92Å; F173-Y176 PolarHBondContact O-N 3.25Å; F173-L177 HydrophobicContact CE1-CB 4.47Å; F173-L177 HydrophobicContact CE1-CD2 4.1Å; F173-L177 VanDerWaalsContact O-CB 3.25Å; F173-L177 WeakPolarHBondContact O-CB 3.47Å; F173-L177 PolarHBondContact O-N 3.21Å
174I72.4Confident75.7Confident3 Ų318 Ų182%0.0159%0.085CC..Hα-helixtrans-61.8-46.3177.2-68.7162.3000109.8M170 D171 Y176 L177 C178 I243 M247M170-I174 HydrophobicContact CE-CD1 4.4Å; M170-I174 WeakPolarHBondContact O-CB 3.48Å; M170-I174 WeakPolarHBondContact O-CD1 3.43Å; M170-I174 VanDerWaalsContact O-CG1 3.25Å; M170-I174 WeakPolarHBondContact O-CG1 3.24Å; M170-I174 PolarHBondContact O-N 2.91Å; D171-I174 PolarHBondContact O-N 3.15Å; I174-Y176 PolarHBondContact O-N 3.47Å; I174-L177 PolarHBondContact O-N 2.85Å; I174-C178 WeakPolarHBondContact O-CB 2.93Å; I174-C178 PolarHBondContact O-N 2.85Å; I174-C178 PolarHBondContact O-SG 3.45Å; I174-C178 VanDerWaalsContact O-SG 3.35Å; I174-I243 HydrophobicContact CD1-CG2 3.63Å; I174-M247 HydrophobicContact CD1-CE 3.57Å
175E76.1Confident75.5Confident70 Ų7021.8 Ų21.833%0.32710%0.099SC..Hα-helixtrans-56.3-52.8178.8-176.3-174.4174.500111.5D171 Y172 L177 C178 Y179D171-E175 WeakPolarHBondContact O-CB 3.17Å; D171-E175 PolarHBondContact O-N 3.37Å; Y172-E175 PolarHBondContact O-N 3.39Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.42Å; E175-C178 WeakPolarHBondContact O-CB 3.42Å; E175-C178 PolarHBondContact O-N 2.89Å; E175-Y179 HydrophobicContact CG-CD2 4.11Å; E175-Y179 HydrophobicContact CG-CE2 3.43Å; E175-Y179 VanDerWaalsContact CG-CE2 3.43Å; E175-Y179 WeakPolarHBondContact O-CD2 3.22Å; E175-Y179 PolarHBondContact O-N 3.31Å; E175-Y179 VanDerWaalsContact O-N 3.09Å; E175-Y179 VanDerWaalsContact OE1-CE2 3.29Å; E175-Y179 WeakPolarHBondContact OE1-CE2 3.4Å; E175-Y179 PolarHBondContact OE1-OH 3.41Å; E175-Y179 VanDerWaalsContact OE1-OH 3.08Å
176Y78.2Confident75.4Confident13 Ų1325.3 Ų25.35%0.05112%0.118CC..Hα-helixtrans-67-33.5179.7-72.3-61.7000112.8I109 Y112 I116 Y172 F173 I174 Y179 F180I109-Y176 HydrophobicContact CG2-CD1 3.94Å; I109-Y176 HydrophobicContact CG2-CG 4.36Å; I109-Y176 VanDerWaalsContact CG2-O 3.25Å; I109-Y176 WeakPolarHBondContact CG2-O 3.46Å; Y112-Y176 HydrophobicContact CD1-CE1 4.17Å; Y112-Y176 AromaticContact CD1-CE2 3.82Å; Y112-Y176 HydrophobicContact CD1-CE2 3.82Å; Y112-Y176 AromaticContact CD1-CZ 3.57Å; Y112-Y176 WeakPolarHBondContact CD1-OH 3.46Å; Y112-Y176 HydrophobicContact CD2-CE1 4.23Å; Y112-Y176 HydrophobicContact CG-CD1 4.32Å; Y112-Y176 HydrophobicContact CG-CD2 4.46Å; Y112-Y176 AromaticContact CG-CE1 3.89Å; Y112-Y176 HydrophobicContact CG-CE1 3.89Å; Y112-Y176 HydrophobicContact CG-CE2 4.06Å; Y112-Y176 AromaticContact CG-CZ 3.76Å; I116-Y176 HydrophobicContact CD1-CD2 3.32Å; I116-Y176 HydrophobicContact CD1-CE2 3.66Å; I116-Y176 HydrophobicContact CD1-CG 4.46Å; Y172-Y176 HydrophobicContact CD1-CE2 4.02Å; Y172-Y176 WeakPolarHBondContact O-CD2 3.43Å; Y172-Y176 PolarHBondContact O-N 2.87Å; F173-Y176 PolarHBondContact O-N 3.25Å; I174-Y176 PolarHBondContact O-N 3.47Å; Y176-Y179 HydrophobicContact CD1-CD2 4.31Å; Y176-Y179 PolarHBondContact O-N 2.75Å; Y176-F180 WeakPolarHBondContact O-CB 3.36Å; Y176-F180 PolarHBondContact O-N 3.15Å
177L74.3Confident75.4Confident1 Ų126.7 Ų26.71%0.00512%0.124CC..Hα-helixtrans-66.8-40.8174.5-173.467.3000111.8V14 L17 I113 F173 I174 E175 Y179 F180 I181 L240V14-L177 HydrophobicContact CG2-CD2 4.28Å; L17-L177 HydrophobicContact CD1-CD2 3.15Å; I113-L177 HydrophobicContact CD1-CD1 4.37Å; F173-L177 HydrophobicContact CE1-CB 4.47Å; F173-L177 HydrophobicContact CE1-CD2 4.1Å; F173-L177 VanDerWaalsContact O-CB 3.25Å; F173-L177 WeakPolarHBondContact O-CB 3.47Å; F173-L177 PolarHBondContact O-N 3.21Å; I174-L177 PolarHBondContact O-N 2.85Å; E175-L177 VanDerWaalsContact C-N 3.32Å; E175-L177 PolarHBondContact O-N 3.42Å; L177-Y179 PolarHBondContact O-N 2.82Å; L177-F180 WeakPolarHBondContact O-CB 3.42Å; L177-F180 PolarHBondContact O-N 3.43Å; L177-I181 HydrophobicContact CD1-CD1 4.28Å; L177-I181 HydrophobicContact CD1-CG1 4.46Å; L177-I181 HydrophobicContact CD2-CD1 4.33Å; L177-I181 HydrophobicContact CG-CD1 3.83Å; L177-I181 HydrophobicContact CG-CG1 4.4Å; L177-I181 WeakPolarHBondContact O-CB 3.07Å; L177-I181 WeakPolarHBondContact O-CG1 3.11Å; L177-I181 PolarHBondContact O-N 2.83Å; L177-L240 HydrophobicContact CD2-CD1 4.1Å; L177-L240 HydrophobicContact CD2-CD2 4.05Å; L177-L240 HydrophobicContact CG-CD1 4.29Å
178C73.6Confident75.2Confident25 Ų2526.6 Ų26.617%0.16912%0.124CC..Hα-helixtrans-58.3-47.3173.9-77.50000111I174 E175 F180 I181 M182I174-C178 WeakPolarHBondContact O-CB 2.93Å; I174-C178 PolarHBondContact O-N 2.85Å; I174-C178 PolarHBondContact O-SG 3.45Å; I174-C178 VanDerWaalsContact O-SG 3.35Å; E175-C178 WeakPolarHBondContact O-CB 3.42Å; E175-C178 PolarHBondContact O-N 2.89Å; C178-F180 VanDerWaalsContact C-N 3.31Å; C178-F180 PolarHBondContact O-N 3.23Å; C178-I181 PolarHBondContact O-N 2.83Å; C178-M182 WeakPolarHBondContact O-CB 3.37Å; C178-M182 WeakPolarHBondContact O-CG 3.31Å; C178-M182 PolarHBondContact O-N 3.31Å
179Y76.7Confident74.9Confident66 Ų6629.4 Ų29.426%0.25914%0.144SC..Hα-helixtrans-61.6-39.5175.5-67.5-51.3000112.7N101 I109 E175 Y176 L177 N183N101-Y179 VanDerWaalsContact ND2-CD1 3.27Å; N101-Y179 WeakPolarHBondContact ND2-CD1 3.05Å; N101-Y179 VanDerWaalsContact ND2-CD2 3.29Å; N101-Y179 WeakPolarHBondContact ND2-CD2 3.25Å; N101-Y179 WeakPolarHBondContact ND2-CE1 3.18Å; N101-Y179 WeakPolarHBondContact ND2-CE2 3.29Å; I109-Y179 HydrophobicContact CD1-CD2 4.35Å; I109-Y179 HydrophobicContact CD1-CG 4.1Å; E175-Y179 HydrophobicContact CG-CD2 4.11Å; E175-Y179 HydrophobicContact CG-CE2 3.43Å; E175-Y179 VanDerWaalsContact CG-CE2 3.43Å; E175-Y179 WeakPolarHBondContact O-CD2 3.22Å; E175-Y179 PolarHBondContact O-N 3.31Å; E175-Y179 VanDerWaalsContact O-N 3.09Å; E175-Y179 VanDerWaalsContact OE1-CE2 3.29Å; E175-Y179 WeakPolarHBondContact OE1-CE2 3.4Å; E175-Y179 PolarHBondContact OE1-OH 3.41Å; E175-Y179 VanDerWaalsContact OE1-OH 3.08Å; Y176-Y179 HydrophobicContact CD1-CD2 4.31Å; Y176-Y179 PolarHBondContact O-N 2.75Å; L177-Y179 PolarHBondContact O-N 2.82Å; Y179-N183 WeakPolarHBondContact O-CB 3.18Å; Y179-N183 PolarHBondContact O-N 3.31Å
180F76.5Confident74.7Confident6 Ų635.3 Ų35.33%0.02617%0.171CC..Hα-helixtrans-62.8-47.6176.5-179.8-92.4000111.8L10 L78 I96 I109 I110 I113 Y176 L177 C178 N183 L184L10-F180 HydrophobicContact CD1-CE1 4.24Å; L10-F180 HydrophobicContact CD2-CD1 4.15Å; L10-F180 HydrophobicContact CD2-CE1 3.75Å; L78-F180 HydrophobicContact CD2-CZ 4.48Å; I96-F180 HydrophobicContact CG2-CD2 4.32Å; I96-F180 HydrophobicContact CG2-CE2 3.43Å; I96-F180 VanDerWaalsContact CG2-CE2 3.43Å; I96-F180 HydrophobicContact CG2-CZ 3.56Å; I109-F180 HydrophobicContact CG2-CB 4.38Å; I110-F180 HydrophobicContact CD1-CE2 4.4Å; I113-F180 HydrophobicContact CD1-CB 3.85Å; I113-F180 HydrophobicContact CD1-CD2 4.42Å; I113-F180 HydrophobicContact CD1-CG 4.14Å; Y176-F180 WeakPolarHBondContact O-CB 3.36Å; Y176-F180 PolarHBondContact O-N 3.15Å; L177-F180 WeakPolarHBondContact O-CB 3.42Å; L177-F180 PolarHBondContact O-N 3.43Å; C178-F180 VanDerWaalsContact C-N 3.31Å; C178-F180 PolarHBondContact O-N 3.23Å; F180-N183 PolarHBondContact O-N 2.94Å; F180-L184 WeakPolarHBondContact O-CB 3.05Å; F180-L184 PolarHBondContact O-N 2.8Å
181I71.6Confident74.6Confident3 Ų336.4 Ų36.42%0.01518%0.177CC..Hα-helixtrans-65.4-40.7179.5-70169.4000111.2V14 L177 C178 L184 R185 I233 L240V14-I181 HydrophobicContact CG2-CD1 3.97Å; L177-I181 HydrophobicContact CD1-CD1 4.28Å; L177-I181 HydrophobicContact CD1-CG1 4.46Å; L177-I181 HydrophobicContact CD2-CD1 4.33Å; L177-I181 HydrophobicContact CG-CD1 3.83Å; L177-I181 HydrophobicContact CG-CG1 4.4Å; L177-I181 WeakPolarHBondContact O-CB 3.07Å; L177-I181 WeakPolarHBondContact O-CG1 3.11Å; L177-I181 PolarHBondContact O-N 2.83Å; C178-I181 PolarHBondContact O-N 2.83Å; I181-L184 WeakPolarHBondContact O-CB 3.16Å; I181-L184 PolarHBondContact O-N 2.96Å; I181-R185 PolarHBondContact O-N 3.21Å; I181-I233 HydrophobicContact CG2-CG2 3.52Å; I181-L240 HydrophobicContact CD1-CD1 3.46Å; I181-L240 VanDerWaalsContact CD1-CD1 3.46Å
182M74Confident74.4Confident69 Ų6938.7 Ų38.734%0.3419%0.187SC..Hα-helixtrans-63.1-43.9175.4-77.5-64.9-179.400111.9C178 L184 R185 N186 T237C178-M182 WeakPolarHBondContact O-CB 3.37Å; C178-M182 WeakPolarHBondContact O-CG 3.31Å; C178-M182 PolarHBondContact O-N 3.31Å; M182-L184 VanDerWaalsContact C-N 3.34Å; M182-R185 WeakPolarHBondContact O-CB 3.33Å; M182-R185 PolarHBondContact O-N 3.32Å; M182-N186 VanDerWaalsContact O-CG 3.31Å; M182-N186 PolarHBondContact O-N 3.41Å; M182-T237 HydrophobicContact CE-CG2 3.34Å
183N76.8Confident73.9Confident8 Ų843.4 Ų43.44%0.04322%0.215CC..Hα-helixtrans-65.7-39.8176.2-179.861.9000112G95 I96 Y99 Y179 F180 R185 N186 K187G95-N183 PolarHBondContact O-ND2 3.48Å; G95-N183 VanDerWaalsContact O-ND2 3.15Å; I96-N183 WeakPolarHBondContact CA-ND2 3.2Å; Y99-N183 WeakPolarHBondContact CB-ND2 3.15Å; Y99-N183 HydrophobicContact CD1-CB 3.48Å; Y99-N183 VanDerWaalsContact CD1-CB 3.48Å; Y99-N183 HydrophobicContact CD2-CB 4.02Å; Y99-N183 VanDerWaalsContact CD2-CG 3.46Å; Y99-N183 WeakPolarHBondContact CD2-OD1 3.26Å; Y99-N183 HydrophobicContact CE1-CB 3.73Å; Y99-N183 HydrophobicContact CE2-CB 4.26Å; Y99-N183 HydrophobicContact CG-CB 3.64Å; Y179-N183 WeakPolarHBondContact O-CB 3.18Å; Y179-N183 PolarHBondContact O-N 3.31Å; F180-N183 PolarHBondContact O-N 2.94Å; N183-R185 VanDerWaalsContact C-N 3.32Å; N183-R185 PolarHBondContact O-N 2.9Å; N183-N186 PolarHBondContact O-N 2.92Å; N183-K187 WeakPolarHBondContact O-CB 3Å; N183-K187 WeakPolarHBondContact O-CG 3.38Å; N183-K187 PolarHBondContact O-N 3.49Å
184L72.2Confident73.4Confident4 Ų447.6 Ų47.62%0.02123%0.233CC..Hα-helixtrans-56.9-46172.7179.670.8000111.4F7 L10 I96 F180 I181 M182 N186 K187 I188F7-L184 HydrophobicContact CE1-CD2 3.84Å; F7-L184 HydrophobicContact CE2-CD1 4.47Å; F7-L184 HydrophobicContact CE2-CD2 4.26Å; F7-L184 HydrophobicContact CZ-CD1 4.23Å; F7-L184 HydrophobicContact CZ-CD2 3.49Å; F7-L184 VanDerWaalsContact CZ-CD2 3.49Å; F7-L184 HydrophobicContact CZ-CG 3.84Å; L10-L184 HydrophobicContact CD1-CD2 3.15Å; I96-L184 HydrophobicContact CD1-CD1 3.34Å; I96-L184 HydrophobicContact CG1-CD1 3.97Å; F180-L184 WeakPolarHBondContact O-CB 3.05Å; F180-L184 PolarHBondContact O-N 2.8Å; I181-L184 WeakPolarHBondContact O-CB 3.16Å; I181-L184 PolarHBondContact O-N 2.96Å; M182-L184 VanDerWaalsContact C-N 3.34Å; L184-N186 PolarHBondContact O-N 3.3Å; L184-K187 PolarHBondContact O-N 2.91Å; L184-I188 HydrophobicContact CD1-CD1 3.92Å; L184-I188 HydrophobicContact CG-CD1 3.89Å; L184-I188 WeakPolarHBondContact O-CB 3.29Å; L184-I188 VanDerWaalsContact O-CG1 3.3Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 PolarHBondContact O-N 3.33Å
185R71.7Confident73Confident79 Ų7948.7 Ų48.730%0.29824%0.239SC..Hα-helixtrans-56.7-48.5175-172.6-178167.8-171.6-2.1111.9I181 M182 N183 I188 S189 I233I181-R185 PolarHBondContact O-N 3.21Å; M182-R185 WeakPolarHBondContact O-CB 3.33Å; M182-R185 PolarHBondContact O-N 3.32Å; N183-R185 VanDerWaalsContact C-N 3.32Å; N183-R185 PolarHBondContact O-N 2.9Å; R185-I188 PolarHBondContact O-N 3.39Å; R185-S189 WeakPolarHBondContact O-CB 3.25Å; R185-S189 PolarHBondContact O-N 2.79Å; R185-S189 PolarHBondContact O-OG 3.13Å; R185-I233 HydrophobicContact CB-CB 4.49Å; R185-I233 HydrophobicContact CB-CD1 3.98Å; R185-I233 HydrophobicContact CB-CG2 3.78Å; R185-I233 HydrophobicContact CG-CB 4.37Å; R185-I233 HydrophobicContact CG-CD1 4.09Å; R185-I233 HydrophobicContact CG-CG2 4.09Å
186N77.3Confident72.4Confident79 Ų7951.7 Ų51.742%0.42225%0.247SC..Hα-helixtrans-63.2-46.3-178.8-68.3-14.5000110.5M182 N183 L184 I188 S189 E190M182-N186 VanDerWaalsContact O-CG 3.31Å; M182-N186 PolarHBondContact O-N 3.41Å; N183-N186 PolarHBondContact O-N 2.92Å; L184-N186 PolarHBondContact O-N 3.3Å; N186-I188 VanDerWaalsContact C-N 3.3Å; N186-I188 PolarHBondContact O-N 2.92Å; N186-S189 PolarHBondContact O-N 2.72Å; N186-E190 WeakPolarHBondContact O-CB 3.27Å; N186-E190 VanDerWaalsContact O-CG 3.27Å; N186-E190 WeakPolarHBondContact O-CG 3.32Å; N186-E190 PolarHBondContact O-N 2.97Å
187K75.6Confident71.6Confident39 Ų3953.5 Ų53.517%0.1726%0.262CS..Hα-helixtrans-64.1-34.4178.6-69.9-70.3156.3-147.60112.9V92 I96 N183 L184 E190 N191V92-K187 HydrophobicContact CG1-CB 4.33Å; I96-K187 HydrophobicContact CG1-CB 4.09Å; I96-K187 HydrophobicContact CG1-CG 4.15Å; N183-K187 WeakPolarHBondContact O-CB 3Å; N183-K187 WeakPolarHBondContact O-CG 3.38Å; N183-K187 PolarHBondContact O-N 3.49Å; L184-K187 PolarHBondContact O-N 2.91Å; K187-E190 IonicContact NZ-OE1 3.18Å; K187-E190 IonicContact NZ-OE2 3.06Å; K187-E190 PolarHBondContact NZ-OE2 3.22Å; K187-N191 WeakPolarHBondContact O-CB 3.25Å; K187-N191 PolarHBondContact O-N 2.69Å; K187-N191 PolarHBondContact O-ND2 2.89Å
188I70.7Confident70.8Confident17 Ų1756.5 Ų56.59%0.08728%0.275CS..Hα-helixtrans-73.1-40.5175-71.9169.3000111.7F7 L184 R185 N186 N191 E192 I195 I228 I233F7-I188 HydrophobicContact CE1-CD1 4.28Å; F7-I188 HydrophobicContact CE2-CD1 3.38Å; F7-I188 HydrophobicContact CZ-CD1 3.08Å; L184-I188 HydrophobicContact CD1-CD1 3.92Å; L184-I188 HydrophobicContact CG-CD1 3.89Å; L184-I188 WeakPolarHBondContact O-CB 3.29Å; L184-I188 VanDerWaalsContact O-CG1 3.3Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 PolarHBondContact O-N 3.33Å; R185-I188 PolarHBondContact O-N 3.39Å; N186-I188 VanDerWaalsContact C-N 3.3Å; N186-I188 PolarHBondContact O-N 2.92Å; I188-N191 CarbonylContact O-C 3.54Å; I188-N191 PolarHBondContact O-N 3.29Å; I188-E192 VanDerWaalsContact O-CA 3.29Å; I188-E192 WeakPolarHBondContact O-CA 3.4Å; I188-E192 PolarHBondContact O-N 2.92Å; I188-I195 HydrophobicContact CB-CD1 4.05Å; I188-I195 HydrophobicContact CG1-CD1 3.88Å; I188-I195 HydrophobicContact CG2-CD1 3.85Å; I188-I228 HydrophobicContact CD1-CG2 4.36Å; I188-I233 HydrophobicContact CD1-CD1 4.38Å
189S71.6Confident69.8Low61 Ų6157.1 Ų57.143%0.42728%0.278SS..Hα-helixtrans-66-44.3178.6-53.90000111R185 N186 N191 E192R185-S189 WeakPolarHBondContact O-CB 3.25Å; R185-S189 PolarHBondContact O-N 2.79Å; R185-S189 PolarHBondContact O-OG 3.13Å; N186-S189 PolarHBondContact O-N 2.72Å; S189-N191 PolarHBondContact O-N 2.91Å; S189-E192 WeakPolarHBondContact O-CB 3.23Å; S189-E192 PolarHBondContact O-N 2.94Å
190E76Confident68.3Low123 Ų12357.4 Ų57.458%0.57529%0.289SS*.Hα-helixtrans-59-34.6174.4-74.9170.4-169.300112.3N186 K187N186-E190 WeakPolarHBondContact O-CB 3.27Å; N186-E190 VanDerWaalsContact O-CG 3.27Å; N186-E190 WeakPolarHBondContact O-CG 3.32Å; N186-E190 PolarHBondContact O-N 2.97Å; K187-E190 IonicContact NZ-OE1 3.18Å; K187-E190 IonicContact NZ-OE2 3.06Å; K187-E190 PolarHBondContact NZ-OE2 3.22Å
191N71.7Confident66.8Low24 Ų2460.7 Ų60.713%0.12831%0.31CS..THydrogen-bonded Turntrans-107.620.3-176.2-63.8-75.9000112.9V92 K187 I188 S189 N193 F194 I195V92-N191 HydrophobicContact CG2-CB 3.84Å; K187-N191 WeakPolarHBondContact O-CB 3.25Å; K187-N191 PolarHBondContact O-N 2.69Å; K187-N191 PolarHBondContact O-ND2 2.89Å; I188-N191 CarbonylContact O-C 3.54Å; I188-N191 PolarHBondContact O-N 3.29Å; S189-N191 PolarHBondContact O-N 2.91Å; N191-N193 VanDerWaalsContact C-N 3.3Å; N191-N193 PolarHBondContact O-N 3Å; N191-F194 HydrophobicContact CB-CB 4.42Å; N191-F194 WeakPolarHBondContact O-CB 3.24Å; N191-F194 PolarHBondContact O-N 3.31Å; N191-I195 HydrophobicContact CB-CD1 4.31Å; N191-I195 HydrophobicContact CB-CG1 4.49Å; N191-I195 WeakPolarHBondContact O-CG1 3.09Å; N191-I195 PolarHBondContact O-N 3.3Å
192E69.5Low65.3Low83 Ų8364.3 Ų64.339%0.38834%0.336SS..Hα-helixtrans-58.2-43-171.3-172.6-178.2173.400111.7I188 S189 F194 I195 R196I188-E192 VanDerWaalsContact O-CA 3.29Å; I188-E192 WeakPolarHBondContact O-CA 3.4Å; I188-E192 PolarHBondContact O-N 2.92Å; S189-E192 WeakPolarHBondContact O-CB 3.23Å; S189-E192 PolarHBondContact O-N 2.94Å; E192-F194 VanDerWaalsContact C-N 3.33Å; E192-F194 PolarHBondContact O-N 2.91Å; E192-I195 PolarHBondContact O-N 2.68Å; E192-R196 HydrophobicContact CG-CG 4.38Å; E192-R196 WeakPolarHBondContact O-CB 3.43Å; E192-R196 VanDerWaalsContact O-CG 3.32Å; E192-R196 WeakPolarHBondContact O-CG 3.43Å; E192-R196 PolarHBondContact O-N 2.65Å; E192-R196 IonicContact OE1-CZ 3.17Å; E192-R196 IonicContact OE1-NE 2.98Å; E192-R196 PolarHBondContact OE1-NE 2.79Å; E192-R196 IonicContact OE1-NH2 2.66Å; E192-R196 PolarHBondContact OE1-NH2 3.11Å
193N68.6Low63.3Low138 Ų13867.8 Ų67.874%0.73836%0.355SS*.Hα-helixtrans-62.1-39.8177.6-69.6-27.8000112.3N191 S197N191-N193 VanDerWaalsContact C-N 3.3Å; N191-N193 PolarHBondContact O-N 3Å; N193-S197 PolarHBondContact O-N 3.3Å
194F66.2Low61.1Low88 Ų8872.3 Ų72.339%0.38638%0.383SS..Hα-helixtrans-68-44.7177.1178.9-96.5000111.1N191 E192 S197 F198N191-F194 HydrophobicContact CB-CB 4.42Å; N191-F194 WeakPolarHBondContact O-CB 3.24Å; N191-F194 PolarHBondContact O-N 3.31Å; E192-F194 VanDerWaalsContact C-N 3.33Å; E192-F194 PolarHBondContact O-N 2.91Å; F194-S197 WeakPolarHBondContact O-CB 3.49Å; F194-S197 PolarHBondContact O-N 3.23Å; F194-S197 VanDerWaalsContact O-N 3.16Å; F194-S197 PolarHBondContact O-OG 3.47Å; F194-F198 HydrophobicContact CD1-CD2 4.25Å; F194-F198 HydrophobicContact CD1-CE2 4.46Å; F194-F198 AromaticContact CE1-CD2 3.82Å; F194-F198 HydrophobicContact CE1-CD2 3.82Å; F194-F198 AromaticContact CE1-CE2 3.66Å; F194-F198 HydrophobicContact CE1-CE2 3.66Å; F194-F198 HydrophobicContact CE2-CD2 4.26Å; F194-F198 AromaticContact CE2-CE2 3.72Å; F194-F198 HydrophobicContact CE2-CE2 3.72Å; F194-F198 AromaticContact CZ-CD2 3.85Å; F194-F198 HydrophobicContact CZ-CD2 3.85Å; F194-F198 AromaticContact CZ-CE2 3.25Å; F194-F198 HydrophobicContact CZ-CE2 3.25Å; F194-F198 HydrophobicContact CZ-CZ 4.16Å; F194-F198 PolarHBondContact O-N 3.14Å; F194-F198 VanDerWaalsContact O-N 3.11Å
195I64.8Low59.1Low26 Ų2680 Ų8013%0.13342%0.421CS..Hα-helixtrans-66-41178.5-64.6168.2000111.2I188 N191 E192 S197 F198 T199I188-I195 HydrophobicContact CB-CD1 4.05Å; I188-I195 HydrophobicContact CG1-CD1 3.88Å; I188-I195 HydrophobicContact CG2-CD1 3.85Å; N191-I195 HydrophobicContact CB-CD1 4.31Å; N191-I195 HydrophobicContact CB-CG1 4.49Å; N191-I195 WeakPolarHBondContact O-CG1 3.09Å; N191-I195 PolarHBondContact O-N 3.3Å; E192-I195 PolarHBondContact O-N 2.68Å; I195-S197 VanDerWaalsContact C-N 3.28Å; I195-S197 PolarHBondContact O-N 2.99Å; I195-F198 PolarHBondContact O-N 3.41Å; I195-T199 PolarHBondContact O-N 3.34Å; I195-T199 PolarHBondContact O-OG1 2.94Å
196R62.7Low57.2Low133 Ų13381.3 Ų81.350%0.50244%0.442SS..Hα-helixtrans-60.3-38172.5-77.7-177.8-177.4-149.34.5111.7E192 T199 S200E192-R196 HydrophobicContact CG-CG 4.38Å; E192-R196 WeakPolarHBondContact O-CB 3.43Å; E192-R196 VanDerWaalsContact O-CG 3.32Å; E192-R196 WeakPolarHBondContact O-CG 3.43Å; E192-R196 PolarHBondContact O-N 2.65Å; E192-R196 IonicContact OE1-CZ 3.17Å; E192-R196 IonicContact OE1-NE 2.98Å; E192-R196 PolarHBondContact OE1-NE 2.79Å; E192-R196 IonicContact OE1-NH2 2.66Å; E192-R196 PolarHBondContact OE1-NH2 3.11Å; R196-T199 WeakPolarHBondContact CA-OG1 3.37Å; R196-T199 PolarHBondContact O-OG1 2.6Å; R196-T199 VanDerWaalsContact O-OG1 3.08Å; R196-S200 VanDerWaalsContact O-CB 3.26Å; R196-S200 WeakPolarHBondContact O-CB 3.3Å; R196-S200 PolarHBondContact O-N 2.64Å; R196-S200 PolarHBondContact O-OG 3.43Å
197S61.5Low55Low52 Ų5283.6 Ų83.636%0.36446%0.459SS..Hα-helixtrans-64.6-42.3176.1800000111.7N193 F194 I195 S200 T201N193-S197 PolarHBondContact O-N 3.3Å; F194-S197 WeakPolarHBondContact O-CB 3.49Å; F194-S197 PolarHBondContact O-N 3.23Å; F194-S197 VanDerWaalsContact O-N 3.16Å; F194-S197 PolarHBondContact O-OG 3.47Å; I195-S197 VanDerWaalsContact C-N 3.28Å; I195-S197 PolarHBondContact O-N 2.99Å; S197-S200 PolarHBondContact O-N 3.42Å; S197-T201 WeakPolarHBondContact O-CB 3.41Å; S197-T201 PolarHBondContact O-N 2.99Å; S197-T201 PolarHBondContact O-OG1 3.24Å
198F56.6Low52.8Low64 Ų6491 Ų9128%0.28149%0.491SS..Hα-helixtrans-64.3-47.1177.3-98.5-93.8000113F194 I195 S200 T201 S202F194-F198 HydrophobicContact CD1-CD2 4.25Å; F194-F198 HydrophobicContact CD1-CE2 4.46Å; F194-F198 AromaticContact CE1-CD2 3.82Å; F194-F198 HydrophobicContact CE1-CD2 3.82Å; F194-F198 AromaticContact CE1-CE2 3.66Å; F194-F198 HydrophobicContact CE1-CE2 3.66Å; F194-F198 HydrophobicContact CE2-CD2 4.26Å; F194-F198 AromaticContact CE2-CE2 3.72Å; F194-F198 HydrophobicContact CE2-CE2 3.72Å; F194-F198 AromaticContact CZ-CD2 3.85Å; F194-F198 HydrophobicContact CZ-CD2 3.85Å; F194-F198 AromaticContact CZ-CE2 3.25Å; F194-F198 HydrophobicContact CZ-CE2 3.25Å; F194-F198 HydrophobicContact CZ-CZ 4.16Å; F194-F198 PolarHBondContact O-N 3.14Å; F194-F198 VanDerWaalsContact O-N 3.11Å; I195-F198 PolarHBondContact O-N 3.41Å; F198-S200 VanDerWaalsContact C-N 3.32Å; F198-S200 PolarHBondContact O-N 3.38Å; F198-T201 PolarHBondContact O-N 2.84Å; F198-S202 PolarHBondContact O-N 3.46Å
199T53.7Low51Low38 Ų3895.9 Ų95.923%0.23353%0.527CS..Hα-helixtrans-64.4-36.5178.742.60000112.2I195 R196I195-T199 PolarHBondContact O-N 3.34Å; I195-T199 PolarHBondContact O-OG1 2.94Å; R196-T199 WeakPolarHBondContact CA-OG1 3.37Å; R196-T199 PolarHBondContact O-OG1 2.6Å; R196-T199 VanDerWaalsContact O-OG1 3.08Å
200S45.9Very low49.2Very low71 Ų7198.7 Ų98.750%0.49755%0.547SS..Hα-helixtrans-72-38176-550000112.7R196 S197 F198 L203 T204R196-S200 VanDerWaalsContact O-CB 3.26Å; R196-S200 WeakPolarHBondContact O-CB 3.3Å; R196-S200 PolarHBondContact O-N 2.64Å; R196-S200 PolarHBondContact O-OG 3.43Å; S197-S200 PolarHBondContact O-N 3.42Å; F198-S200 VanDerWaalsContact C-N 3.32Å; F198-S200 PolarHBondContact O-N 3.38Å; S200-L203 WeakPolarHBondContact O-CB 3.43Å; S200-L203 PolarHBondContact O-N 3.43Å; S200-T204 PolarHBondContact O-N 2.74Å
201T43.5Very low47.2Very low76 Ų76101 Ų10147%0.46656%0.563SS.*Hα-helixtrans-78.7-31.9-175.8-41.10000112.5S197 F198 L203 T204S197-T201 WeakPolarHBondContact O-CB 3.41Å; S197-T201 PolarHBondContact O-N 2.99Å; S197-T201 PolarHBondContact O-OG1 3.24Å; F198-T201 PolarHBondContact O-N 2.84Å; T201-L203 PolarHBondContact O-N 3.07Å; T201-T204 PolarHBondContact O-N 2.77Å; T201-T204 PolarHBondContact O-OG1 3.23Å
202S41.2Very low45.5Very low79 Ų79103.8 Ų103.855%0.55259%0.59SS**Hα-helixtrans-64.9-25.7167.7-94.80000112.5F198F198-S202 PolarHBondContact O-N 3.46Å
203L30.8Very low43.7Very low142 Ų142104.9 Ų104.974%0.74361%0.606SS**Hα-helixtrans-73.4-31.4176.9-120.690.3000112.9S200 T201S200-L203 WeakPolarHBondContact O-CB 3.43Å; S200-L203 PolarHBondContact O-N 3.43Å; T201-L203 PolarHBondContact O-N 3.07Å
204T31.1Very low42Very low103 Ų103103.4 Ų103.463%0.63261%0.607SS**Hα-helixtrans-87.2-12.6-175.247.10000114.8S200 T201S200-T204 PolarHBondContact O-N 2.74Å; T201-T204 PolarHBondContact O-N 2.77Å; T201-T204 PolarHBondContact O-OG1 3.23Å
205M30.2Very low40.3Very low166 Ų166104.5 Ų104.582%0.81863%0.625SS**THydrogen-bonded Turntrans-895.1178.7-77.1-143.1-157.300116.1
206S32.2Very low38.8Very low105 Ų105107.9 Ų107.973%0.73465%0.651SS**THydrogen-bonded Turntrans-107.53.3-178.5-173.50000116.2
207T31.5Very low37.2Very low128 Ų128107.7 Ų107.779%0.78567%0.67SS**SBendtrans-115.313.7-179.548.90000115.2
208K28.6Very low35.7Very low193 Ų193110 Ų11084%0.83969%0.686SS**SBendtrans-111.3114.5166.6-96.9179175.1176.50111.7
209S34.3Very low34.4Very low120 Ų120112.4 Ų112.484%0.83971%0.711SS**  trans70.688.2160.767.80000119
210S33Very low33.4Very low121 Ų121115.3 Ų115.385%0.84673%0.733SS**  -14789.5128.348.80000110A212S210-A212 PolarHBondContact O-N 3.11Å
211N34.1Very low32.7Very low170 Ų170116.6 Ų116.691%0.90974%0.742SS**  trans-64.4119.2149.9-87.96.7000106.8
212A35Very low32.1Very low84 Ų84124 Ų12469%0.69476%0.762SS**  trans164.5110.3135.200000111.2S210S210-A212 PolarHBondContact O-N 3.11Å
213S33Very low31.7Very low106 Ų106127.6 Ų127.674%0.74177%0.774SS**  trans55119.3141.347.50000121.8
214S32.6Very low31.7Very low106 Ų106126.8 Ų126.874%0.74178%0.775SS**  trans74.4123137.856.60000121
215S30.7Very low31.9Very low111 Ų111125.1 Ų125.178%0.77677%0.767SS**  trans91.5137.2142.370.80000119.7
216S33.4Very low32.4Very low98 Ų98121.4 Ų121.469%0.68576%0.757SS**  trans62.990.5176.943.50000116.5S218S216-S218 PolarHBondContact O-N 3.27Å
217S28.3Very low33.1Very low128 Ų128120 Ų12090%0.89574%0.743SS**  trans-59.772154.542.30000110.5S219S217-S219 PolarHBondContact O-N 3.28Å
218S30.6Very low34Very low100 Ų100115.7 Ų115.770%0.69972%0.715SS**  trans-68.9106.9156.5-62.70000105.3S216 S220S216-S218 PolarHBondContact O-N 3.27Å; S218-S220 PolarHBondContact O-N 3.5Å
219S29.2Very low35.3Very low116 Ų116109.6 Ų109.681%0.81169%0.694SS**  trans-56.982.7169.851.40000108.6S217 S221S217-S219 PolarHBondContact O-N 3.28Å; S219-S221 VanDerWaalsContact C-N 3.28Å; S219-S221 PolarHBondContact O-N 2.81Å
220S32.6Very low36.4Very low99 Ų99107.4 Ų107.469%0.69268%0.679SS**  trans-62.2101.9164.1-175.30000104.1S218 R222S218-S220 PolarHBondContact O-N 3.5Å; S220-R222 PolarHBondContact O-N 3.48Å
221S31.2Very low37.9Very low98 Ų98105 Ų10569%0.68566%0.662SS**  trans-5595.8167.641.20000105.8S219 L223S219-S221 VanDerWaalsContact C-N 3.28Å; S219-S221 PolarHBondContact O-N 2.81Å; S221-L223 PolarHBondContact O-N 2.79Å
222R31.5Very low39.5Very low232 Ų23299.5 Ų99.588%0.87564%0.637SS**  trans-58.689.9166.4-77.3179.1177.2174.6-1.2105.1S220 T224S220-R222 PolarHBondContact O-N 3.48Å; R222-T224 PolarHBondContact O-N 3.2Å
223L31.4Very low41Very low154 Ų15495.6 Ų95.681%0.80661%0.605SS**  trans-6293.4163.4-72.9168.9000104.7S221 C225S221-L223 PolarHBondContact O-N 2.79Å; L223-C225 PolarHBondContact O-N 2.8Å
224T31.2Very low42.8Very low125 Ų12592.7 Ų92.777%0.76758%0.583SS**  trans-54.4107.2167.846.80000105.8R222 S226R222-T224 PolarHBondContact O-N 3.2Å; T224-S226 VanDerWaalsContact C-N 3.26Å; T224-S226 PolarHBondContact O-N 3.24Å
225C35.7Very low44.8Very low68 Ų6893.9 Ų93.946%0.45957%0.574SS.*  trans-62.896.9171178.40000104.9C4 L223 V227C4-C225 HydrophobicContact CB-CB 4.29Å; C4-C225 WeakPolarHBondContact CB-SG 3.45Å; C4-C225 WeakPolarHBondContact SG-CB 3.37Å; C4-C225 CovalentContact SG-SG 2.08Å; C4-C225 PolarHBondContact SG-SG 3.34Å; L223-C225 PolarHBondContact O-N 2.8Å; C225-V227 PolarHBondContact O-N 3.39Å; C225-V227 VanDerWaalsContact O-N 3.07Å
226S41.2Very low46.6Very low87 Ų8789.5 Ų89.561%0.60854%0.542SS*.  trans-58.8117.4170.1540000105.2T224 I228T224-S226 VanDerWaalsContact C-N 3.26Å; T224-S226 PolarHBondContact O-N 3.24Å; S226-I228 PolarHBondContact O-N 2.83Å; S226-I228 VanDerWaalsContact O-N 3.07Å
227V45.8Very low48.4Very low75 Ų7585.3 Ų85.346%0.45551%0.512SS..  trans-45.3123.8168.1174.80000106.2C225 T229C225-V227 PolarHBondContact O-N 3.39Å; C225-V227 VanDerWaalsContact O-N 3.07Å; V227-T229 WeakPolarHBondContact O-CG2 3.49Å; V227-T229 PolarHBondContact O-N 3.25Å
228I50.2Low50.6Low38 Ų3883.5 Ų83.520%0.19549%0.493CS..  trans-55.1106.5177.4-63.6138.2000106.6F7 I188 S226 I233F7-I228 HydrophobicContact CB-CG1 4.45Å; F7-I228 HydrophobicContact CD1-CD1 4.43Å; F7-I228 HydrophobicContact CD1-CG1 3.96Å; F7-I228 HydrophobicContact CD1-CG2 4.06Å; F7-I228 HydrophobicContact CD2-CD1 3.16Å; F7-I228 HydrophobicContact CD2-CG1 3.56Å; F7-I228 HydrophobicContact CE1-CD1 4.48Å; F7-I228 HydrophobicContact CE1-CG1 4.17Å; F7-I228 HydrophobicContact CE1-CG2 3.57Å; F7-I228 HydrophobicContact CE2-CD1 3.23Å; F7-I228 HydrophobicContact CE2-CG1 3.8Å; F7-I228 HydrophobicContact CE2-CG2 4.21Å; F7-I228 HydrophobicContact CG-CD1 3.83Å; F7-I228 HydrophobicContact CG-CG1 3.66Å; F7-I228 HydrophobicContact CZ-CB 4.49Å; F7-I228 HydrophobicContact CZ-CD1 3.95Å; F7-I228 HydrophobicContact CZ-CG1 4.1Å; F7-I228 HydrophobicContact CZ-CG2 3.68Å; I188-I228 HydrophobicContact CD1-CG2 4.36Å; S226-I228 PolarHBondContact O-N 2.83Å; S226-I228 VanDerWaalsContact O-N 3.07Å; I228-I233 HydrophobicContact CG2-CD1 3.84Å; I228-I233 HydrophobicContact CG2-CG1 4.14Å
229T55.5Low52.6Low65 Ų6581.3 Ų81.340%0.39947%0.473SS..  trans-87.2145.9175.748.30000107.9V227 S231 S232V227-T229 WeakPolarHBondContact O-CG2 3.49Å; V227-T229 PolarHBondContact O-N 3.25Å; T229-S231 VanDerWaalsContact CB-OG 3.3Å; T229-S231 WeakPolarHBondContact CB-OG 3.37Å; T229-S231 PolarHBondContact O-N 3.22Å; T229-S231 PolarHBondContact OG1-OG 3.28Å; T229-S232 PolarHBondContact O-N 3.42Å; T229-S232 PolarHBondContact OG1-OG 2.95Å
230S57.5Low54.3Low74 Ų7475.8 Ų75.852%0.51744%0.435SS..Hα-helixtrans-48.6-32.117160.30000111.7S232 I233 T234S230-S232 PolarHBondContact O-N 3.43Å; S230-I233 PolarHBondContact O-N 2.74Å; S230-T234 PolarHBondContact O-N 3.25Å; S230-T234 PolarHBondContact O-OG1 2.75Å; S230-T234 VanDerWaalsContact O-OG1 3.07Å
231S65.5Low56.2Low71 Ų7175.5 Ų75.550%0.49742%0.424SS..Hα-helixtrans-61.9-37.6176.1570000114.7T229 I233 T234 K235T229-S231 VanDerWaalsContact CB-OG 3.3Å; T229-S231 WeakPolarHBondContact CB-OG 3.37Å; T229-S231 PolarHBondContact O-N 3.22Å; T229-S231 PolarHBondContact OG1-OG 3.28Å; S231-I233 VanDerWaalsContact C-N 3.34Å; S231-T234 PolarHBondContact O-N 3.41Å; S231-K235 WeakPolarHBondContact O-CB 3.23Å; S231-K235 PolarHBondContact O-N 3.11Å
232S67.2Low58Low54 Ų5474.3 Ų74.338%0.37841%0.41SS..Hα-helixtrans-68.4-36.9179-61.90000111.5T229 S230 L236T229-S232 PolarHBondContact O-N 3.42Å; T229-S232 PolarHBondContact OG1-OG 2.95Å; S230-S232 PolarHBondContact O-N 3.43Å; S232-L236 WeakPolarHBondContact O-CG 3.39Å; S232-L236 PolarHBondContact O-N 3.11Å; S232-L236 VanDerWaalsContact O-N 3.07Å
233I66.8Low59.6Low3 Ų363.3 Ų63.32%0.01537%0.369CS..Hα-helixtrans-73.3-38.4177.1-57173.7000111.3F7 I181 R185 I188 I228 S230 S231 K235 L236 T237F7-I233 HydrophobicContact CE1-CD1 3.99Å; F7-I233 HydrophobicContact CE1-CG1 3.95Å; F7-I233 HydrophobicContact CZ-CD1 4.2Å; I181-I233 HydrophobicContact CG2-CG2 3.52Å; R185-I233 HydrophobicContact CB-CB 4.49Å; R185-I233 HydrophobicContact CB-CD1 3.98Å; R185-I233 HydrophobicContact CB-CG2 3.78Å; R185-I233 HydrophobicContact CG-CB 4.37Å; R185-I233 HydrophobicContact CG-CD1 4.09Å; R185-I233 HydrophobicContact CG-CG2 4.09Å; I188-I233 HydrophobicContact CD1-CD1 4.38Å; I228-I233 HydrophobicContact CG2-CD1 3.84Å; I228-I233 HydrophobicContact CG2-CG1 4.14Å; S230-I233 PolarHBondContact O-N 2.74Å; S231-I233 VanDerWaalsContact C-N 3.34Å; I233-K235 VanDerWaalsContact C-N 3.34Å; I233-L236 PolarHBondContact O-N 2.91Å; I233-T237 PolarHBondContact O-N 3.17Å; I233-T237 PolarHBondContact O-OG1 3.2Å
234T71.8Confident61.2Low45 Ų4561.7 Ų61.728%0.27636%0.357SS..Hα-helixtrans-59.5-46.6172.4-62.40000110.6S230 S231 L236 T237 D238S230-T234 PolarHBondContact O-N 3.25Å; S230-T234 PolarHBondContact O-OG1 2.75Å; S230-T234 VanDerWaalsContact O-OG1 3.07Å; S231-T234 PolarHBondContact O-N 3.41Å; T234-L236 PolarHBondContact O-N 3.42Å; T234-T237 WeakPolarHBondContact O-CA 3.44Å; T234-T237 WeakPolarHBondContact O-CB 3.1Å; T234-T237 PolarHBondContact O-N 3.42Å; T234-D238 VanDerWaalsContact O-CG 3.23Å; T234-D238 PolarHBondContact O-N 2.91Å
235K73.8Confident62.8Low131 Ų13159.7 Ų59.757%0.5735%0.348SS*.Hα-helixtrans-57.6-45.6175.3-172.5-174.7174.7-168.30112.6S231 I233 T237 D238 D239S231-K235 WeakPolarHBondContact O-CB 3.23Å; S231-K235 PolarHBondContact O-N 3.11Å; I233-K235 VanDerWaalsContact C-N 3.34Å; K235-T237 PolarHBondContact O-N 3.3Å; K235-D238 PolarHBondContact O-N 2.9Å; K235-D239 WeakPolarHBondContact O-CB 3.44Å; K235-D239 PolarHBondContact O-N 2.82Å
236L69.2Low64.2Low19 Ų1959.9 Ų59.910%0.09934%0.342CS..Hα-helixtrans-60.6-35.5176.3-73.1167.6000112.5V14 S232 I233 T234 L240V14-L236 HydrophobicContact CB-CD2 3.67Å; V14-L236 HydrophobicContact CG1-CD2 3.77Å; V14-L236 HydrophobicContact CG2-CD2 3.86Å; S232-L236 WeakPolarHBondContact O-CG 3.39Å; S232-L236 PolarHBondContact O-N 3.11Å; S232-L236 VanDerWaalsContact O-N 3.07Å; I233-L236 PolarHBondContact O-N 2.91Å; T234-L236 PolarHBondContact O-N 3.42Å; L236-L240 WeakPolarHBondContact O-CG 3.27Å; L236-L240 PolarHBondContact O-N 3.41Å
237T70.5Confident65.2Low10 Ų1056.7 Ų56.76%0.06132%0.318CS..Hα-helixtrans-69-47.1175.7-54.10000110.7M182 I233 T234 K235 D239 L240 I241M182-T237 HydrophobicContact CE-CG2 3.34Å; I233-T237 PolarHBondContact O-N 3.17Å; I233-T237 PolarHBondContact O-OG1 3.2Å; T234-T237 WeakPolarHBondContact O-CA 3.44Å; T234-T237 WeakPolarHBondContact O-CB 3.1Å; T234-T237 PolarHBondContact O-N 3.42Å; K235-T237 PolarHBondContact O-N 3.3Å; T237-D239 VanDerWaalsContact C-N 3.29Å; T237-D239 PolarHBondContact O-N 3.3Å; T237-L240 PolarHBondContact O-N 3.25Å; T237-L240 VanDerWaalsContact O-N 3.1Å; T237-I241 HydrophobicContact CG2-CD1 3.93Å; T237-I241 HydrophobicContact CG2-CG1 4.49Å; T237-I241 WeakPolarHBondContact O-CG1 3.34Å; T237-I241 PolarHBondContact O-N 2.85Å
238D73.7Confident65.8Low90 Ų9057.2 Ų57.248%0.48132%0.323SS..Hα-helixtrans-61.1-40.8179.4-62.6-23000110.7T234 K235 L240 I241 D242T234-D238 VanDerWaalsContact O-CG 3.23Å; T234-D238 PolarHBondContact O-N 2.91Å; K235-D238 PolarHBondContact O-N 2.9Å; D238-L240 VanDerWaalsContact C-N 3.33Å; D238-L240 PolarHBondContact O-N 3.44Å; D238-I241 PolarHBondContact O-N 3.45Å; D238-D242 WeakPolarHBondContact O-CB 3.47Å; D238-D242 PolarHBondContact O-N 3.28Å
239D72.7Confident66.4Low53 Ų5357.8 Ų57.828%0.28333%0.325SS..Hα-helixtrans-62.3-37.2174.9-70.4-20.8000111.7V14 M18 K235 T237 I243V14-D239 HydrophobicContact CG1-CB 4.43Å; M18-D239 HydrophobicContact SD-CB 4.21Å; K235-D239 WeakPolarHBondContact O-CB 3.44Å; K235-D239 PolarHBondContact O-N 2.82Å; T237-D239 VanDerWaalsContact C-N 3.29Å; T237-D239 PolarHBondContact O-N 3.3Å; D239-I243 WeakPolarHBondContact O-CG1 3.43Å; D239-I243 PolarHBondContact O-N 3.47Å; D239-I243 VanDerWaalsContact O-N 3.07Å
240L66Low66.7Low1 Ų158.4 Ų58.41%0.00532%0.323CS..Hα-helixtrans-71.5-39.6176.1-74.2171.3000112.9V14 L177 I181 L236 T237 D238 D242 I243 E244V14-L240 HydrophobicContact CG1-CD2 4.27Å; V14-L240 HydrophobicContact CG1-CG 4.24Å; V14-L240 HydrophobicContact CG2-CD1 4.28Å; V14-L240 HydrophobicContact CG2-CD2 4.42Å; V14-L240 HydrophobicContact CG2-CG 4.42Å; L177-L240 HydrophobicContact CD2-CD1 4.1Å; L177-L240 HydrophobicContact CD2-CD2 4.05Å; L177-L240 HydrophobicContact CG-CD1 4.29Å; I181-L240 HydrophobicContact CD1-CD1 3.46Å; I181-L240 VanDerWaalsContact CD1-CD1 3.46Å; L236-L240 WeakPolarHBondContact O-CG 3.27Å; L236-L240 PolarHBondContact O-N 3.41Å; T237-L240 PolarHBondContact O-N 3.25Å; T237-L240 VanDerWaalsContact O-N 3.1Å; D238-L240 VanDerWaalsContact C-N 3.33Å; D238-L240 PolarHBondContact O-N 3.44Å; L240-D242 VanDerWaalsContact C-N 3.3Å; L240-I243 HydrophobicContact CD2-CD1 3.98Å; L240-I243 WeakPolarHBondContact O-CB 3.44Å; L240-I243 PolarHBondContact O-N 2.88Å; L240-E244 PolarHBondContact O-N 2.83Å; L240-E244 VanDerWaalsContact O-N 3.09Å
241I71.4Confident67.3Low92 Ų9256 Ų5647%0.47230%0.302SS..Hα-helixtrans-65.6-38.7174.6-65.6168000109.9T237 D238 I243 E244 S245T237-I241 HydrophobicContact CG2-CD1 3.93Å; T237-I241 HydrophobicContact CG2-CG1 4.49Å; T237-I241 WeakPolarHBondContact O-CG1 3.34Å; T237-I241 PolarHBondContact O-N 2.85Å; D238-I241 PolarHBondContact O-N 3.45Å; I241-I243 VanDerWaalsContact C-N 3.32Å; I241-I243 PolarHBondContact O-N 3.1Å; I241-E244 PolarHBondContact O-N 3.3Å; I241-S245 PolarHBondContact O-N 2.98Å
242D70.4Confident67.7Low73 Ų7358.1 Ų58.139%0.3931%0.308SS..Hα-helixtrans-60.1-42.3174-173.456.7000111.3D238 L240 S245 H246D238-D242 WeakPolarHBondContact O-CB 3.47Å; D238-D242 PolarHBondContact O-N 3.28Å; L240-D242 VanDerWaalsContact C-N 3.3Å; D242-S245 PolarHBondContact O-N 2.88Å; D242-S245 PolarHBondContact O-OG 3.43Å; D242-H246 WeakPolarHBondContact O-CB 3.42Å; D242-H246 PolarHBondContact O-N 3.42Å; D242-H246 PolarHBondContact O-ND1 3.47Å; D242-H246 IonicContact OD1-CE1 2.75Å; D242-H246 PolarHBondContact OD1-CE1 3.04Å; D242-H246 IonicContact OD1-ND1 3.9Å; D242-H246 PolarHBondContact OD1-ND1 3.13Å; D242-H246 IonicContact OD2-CE1 2.72Å; D242-H246 IonicContact OD2-ND1 3.88Å
243I64.9Low68.3Low2 Ų262.2 Ų62.21%0.0132%0.321CS..Hα-helixtrans-57.2-52.5173.5-72.4159.5000111.6M18 S21 I174 D239 L240 I241 S245 H246 M247M18-I243 HydrophobicContact CB-CD1 4.35Å; M18-I243 HydrophobicContact CE-CG1 4.16Å; M18-I243 HydrophobicContact CG-CD1 3.72Å; M18-I243 HydrophobicContact CG-CG1 4.26Å; M18-I243 HydrophobicContact SD-CD1 3.16Å; M18-I243 WeakPolarHBondContact SD-CD1 3.45Å; M18-I243 HydrophobicContact SD-CG1 3.15Å; M18-I243 WeakPolarHBondContact SD-CG1 3.36Å; S21-I243 WeakPolarHBondContact OG-CG2 3.45Å; I174-I243 HydrophobicContact CD1-CG2 3.63Å; D239-I243 WeakPolarHBondContact O-CG1 3.43Å; D239-I243 PolarHBondContact O-N 3.47Å; D239-I243 VanDerWaalsContact O-N 3.07Å; L240-I243 HydrophobicContact CD2-CD1 3.98Å; L240-I243 WeakPolarHBondContact O-CB 3.44Å; L240-I243 PolarHBondContact O-N 2.88Å; I241-I243 VanDerWaalsContact C-N 3.32Å; I241-I243 PolarHBondContact O-N 3.1Å; I243-S245 VanDerWaalsContact C-N 3.28Å; I243-S245 PolarHBondContact O-N 2.84Å; I243-H246 CarbonylContact O-C 3.54Å; I243-H246 PolarHBondContact O-N 3.27Å; I243-M247 HydrophobicContact CG2-SD 4.42Å; I243-M247 PolarHBondContact O-N 2.86Å
244E63.7Low68.7Low119 Ų11964 Ų6456%0.55633%0.33SS*.Hα-helixtrans-56.7-45.9-177.2-173.5-174.7175.400110.4L240 I241 H246 M247L240-E244 PolarHBondContact O-N 2.83Å; L240-E244 VanDerWaalsContact O-N 3.09Å; I241-E244 PolarHBondContact O-N 3.3Å; E244-H246 PolarHBondContact O-N 2.85Å; E244-M247 PolarHBondContact O-N 2.63Å
245S66.3Low68.9Low83 Ų8364.1 Ų64.158%0.5833%0.325SS*.Hα-helixtrans-63.2-23.8178.577.60000114I241 D242 I243I241-S245 PolarHBondContact O-N 2.98Å; D242-S245 PolarHBondContact O-N 2.88Å; D242-S245 PolarHBondContact O-OG 3.43Å; I243-S245 VanDerWaalsContact C-N 3.28Å; I243-S245 PolarHBondContact O-N 2.84Å
246H63.9Low69.2Low73 Ų7360.4 Ų60.434%0.33832%0.319SS..THydrogen-bonded Turntrans-99.76.6-175.7-77.6108.2000114.6K25 D242 I243 E244 P248K25-H246 PolarHBondContact NZ-CD2 3.16Å; D242-H246 WeakPolarHBondContact O-CB 3.42Å; D242-H246 PolarHBondContact O-N 3.42Å; D242-H246 PolarHBondContact O-ND1 3.47Å; D242-H246 IonicContact OD1-CE1 2.75Å; D242-H246 PolarHBondContact OD1-CE1 3.04Å; D242-H246 IonicContact OD1-ND1 3.9Å; D242-H246 PolarHBondContact OD1-ND1 3.13Å; D242-H246 IonicContact OD2-CE1 2.72Å; D242-H246 IonicContact OD2-ND1 3.88Å; I243-H246 CarbonylContact O-C 3.54Å; I243-H246 PolarHBondContact O-N 3.27Å; E244-H246 PolarHBondContact O-N 2.85Å; H246-P248 WeakPolarHBondContact O-CD 3.3Å
247M61.9Low69.9Low19 Ų1966.5 Ų66.59%0.09434%0.344CS..  trans-103.775.3170.2-64.4-165.2-52.900111.1H167 M170 D171 I174 I243 E244 M249H167-M247 PolarHBondContact CE1-O 2.91Å; H167-M247 PolarHBondContact NE2-O 2.95Å; M170-M247 HydrophobicContact CB-CE 4.11Å; M170-M247 HydrophobicContact CB-SD 4.29Å; D171-M247 WeakPolarHBondContact OD1-CE 3.05Å; I174-M247 HydrophobicContact CD1-CE 3.57Å; I243-M247 HydrophobicContact CG2-SD 4.42Å; I243-M247 PolarHBondContact O-N 2.86Å; E244-M247 PolarHBondContact O-N 2.63Å; M247-M249 PolarHBondContact O-N 2.96Å
248P58.3Low70.4Confident86 Ų8666.2 Ų66.256%0.55834%0.343SS*.  trans-67.7121.4178.227.6-33.6000111.1H246 K250H246-P248 WeakPolarHBondContact O-CD 3.3Å; P248-K250 PolarHBondContact O-N 3.2Å
249M63Low70.9Confident51 Ų5165.8 Ų65.825%0.25134%0.338SS..  trans-69.8124.3173.7-176.756.461.400111.3H167 M247 Y255H167-M249 HydrophobicContact CB-CE 3.69Å; H167-M249 VanDerWaalsContact CE1-CE 3.47Å; H167-M249 WeakPolarHBondContact CE1-CE 3.39Å; H167-M249 WeakPolarHBondContact ND1-CE 3.31Å; M247-M249 PolarHBondContact O-N 2.96Å; M249-Y255 HydrophobicContact CE-CD1 4.44Å; M249-Y255 HydrophobicContact CE-CD2 2.9Å; M249-Y255 HydrophobicContact CE-CE2 3.19Å; M249-Y255 HydrophobicContact CE-CG 3.56Å; M249-Y255 HydrophobicContact CG-CD2 4.45Å; M249-Y255 HydrophobicContact CG-CG 4.23Å; M249-Y255 HydrophobicContact SD-CD2 3.84Å; M249-Y255 HydrophobicContact SD-CG 4.03Å
250K62.1Low71.3Confident78 Ų7871.3 Ų71.334%0.33936%0.36SS..  trans-98.5-27178-164.1173.2-177176.30114.1N30 P248N30-K250 PolarHBondContact OD1-NZ 3.01Å; P248-K250 PolarHBondContact O-N 3.2Å
251Y69.5Low72.1Confident24 Ų2477.8 Ų77.89%0.09438%0.384CS..  trans-116.274-171-60.1-61000111.7L29 E160 E253 Q254 Y255L29-Y251 HydrophobicContact CD1-CD2 4.19Å; L29-Y251 HydrophobicContact CD1-CE2 3.41Å; L29-Y251 VanDerWaalsContact CD1-CE2 3.41Å; L29-Y251 HydrophobicContact CD2-CE2 4.25Å; L29-Y251 HydrophobicContact CG-CE2 4.28Å; E160-Y251 HydrophobicContact CB-CD1 4.49Å; E160-Y251 HydrophobicContact CB-CD2 4.23Å; E160-Y251 HydrophobicContact CB-CE2 4.21Å; E160-Y251 HydrophobicContact CB-CG 4.37Å; E160-Y251 HydrophobicContact CG-CD1 4.19Å; E160-Y251 HydrophobicContact CG-CD2 4.31Å; E160-Y251 HydrophobicContact CG-CE1 3.75Å; E160-Y251 HydrophobicContact CG-CE2 3.86Å; E160-Y251 HydrophobicContact CG-CG 4.46Å; E160-Y251 WeakPolarHBondContact OE1-CE1 3.45Å; Y251-E253 VanDerWaalsContact C-N 3.33Å; Y251-E253 PolarHBondContact O-N 3.48Å; Y251-Q254 PolarHBondContact O-N 2.72Å; Y251-Y255 WeakPolarHBondContact O-CB 3.43Å; Y251-Y255 PolarHBondContact O-N 3.26Å
252N75.2Confident72.7Confident115 Ų11573.5 Ų73.562%0.61536%0.362SS*.Hα-helixtrans-60-37.9-172-67.2-19.8000113.7A256N252-A256 WeakPolarHBondContact O-CB 3.25Å; N252-A256 PolarHBondContact O-N 3.18Å
253E78.2Confident73.2Confident139 Ų13971.5 Ų71.565%0.6535%0.354SS*.Hα-helixtrans-71.4-46.4-178.5-65.3-174.8-17300112.6Y251 Y255 A256 K257Y251-E253 VanDerWaalsContact C-N 3.33Å; Y251-E253 PolarHBondContact O-N 3.48Å; E253-Y255 VanDerWaalsContact C-N 3.28Å; E253-A256 PolarHBondContact O-N 3.3Å; E253-K257 WeakPolarHBondContact O-CG 3.24Å; E253-K257 PolarHBondContact O-N 3.16Å; E253-K257 VanDerWaalsContact O-N 3.13Å
254Q76.2Confident73.9Confident42 Ų4276.6 Ų76.620%0.19639%0.385CS..Hα-helixtrans-65.2-37.7177.2-6679.4-9.900109.7E160 I161 S164 Y251 K257 A258E160-Q254 HydrophobicContact CB-CG 4.09Å; E160-Q254 PolarHBondContact OE2-NE2 3.45Å; I161-Q254 HydrophobicContact CG1-CG 4.39Å; S164-Q254 VanDerWaalsContact OG-CB 3.29Å; S164-Q254 WeakPolarHBondContact OG-CB 3.35Å; Y251-Q254 PolarHBondContact O-N 2.72Å; Q254-K257 PolarHBondContact O-N 3.25Å; Q254-A258 VanDerWaalsContact O-CB 3.25Å; Q254-A258 WeakPolarHBondContact O-CB 3.49Å; Q254-A258 PolarHBondContact O-N 2.91Å
255Y76.8Confident74.7Confident47 Ų4774.4 Ų74.418%0.18437%0.374CS..Hα-helixtrans-61.6-51.6173.3-177.7-98.5000112.4S164 V168 D171 M249 Y251 E253 K257 A258 Q259S164-Y255 PolarHBondContact OG-N 3.44Å; V168-Y255 HydrophobicContact CB-CD2 4.45Å; V168-Y255 HydrophobicContact CB-CE2 4.07Å; V168-Y255 HydrophobicContact CG2-CD2 3.27Å; V168-Y255 HydrophobicContact CG2-CE2 3.21Å; V168-Y255 HydrophobicContact CG2-CG 4.1Å; D171-Y255 WeakPolarHBondContact OD2-CE2 3.25Å; D171-Y255 PolarHBondContact OD2-OH 3.32Å; M249-Y255 HydrophobicContact CE-CD1 4.44Å; M249-Y255 HydrophobicContact CE-CD2 2.9Å; M249-Y255 HydrophobicContact CE-CE2 3.19Å; M249-Y255 HydrophobicContact CE-CG 3.56Å; M249-Y255 HydrophobicContact CG-CD2 4.45Å; M249-Y255 HydrophobicContact CG-CG 4.23Å; M249-Y255 HydrophobicContact SD-CD2 3.84Å; M249-Y255 HydrophobicContact SD-CG 4.03Å; Y251-Y255 WeakPolarHBondContact O-CB 3.43Å; Y251-Y255 PolarHBondContact O-N 3.26Å; E253-Y255 VanDerWaalsContact C-N 3.28Å; Y255-K257 VanDerWaalsContact C-N 3.27Å; Y255-K257 PolarHBondContact O-N 3.16Å; Y255-A258 CarbonylContact O-C 3.5Å; Y255-A258 PolarHBondContact O-N 3.16Å; Y255-A258 VanDerWaalsContact O-N 3.11Å; Y255-Q259 WeakPolarHBondContact O-CB 3.3Å; Y255-Q259 PolarHBondContact O-N 3.11Å
256A80.2Confident75.3Confident52 Ų5270.5 Ų70.543%0.4335%0.346SS..Hα-helixtrans-59.4-39.1179.500000112.1N252 E253 K260N252-A256 WeakPolarHBondContact O-CB 3.25Å; N252-A256 PolarHBondContact O-N 3.18Å; E253-A256 PolarHBondContact O-N 3.3Å; A256-K260 PolarHBondContact O-N 3.47Å
257K83Confident75.9Confident148 Ų14870.5 Ų70.564%0.64335%0.349SS*.Hα-helixtrans-65.9-45.7174.3-71.8174.5-175.81690111.9E253 Q254 Y255 K260 R261E253-K257 WeakPolarHBondContact O-CG 3.24Å; E253-K257 PolarHBondContact O-N 3.16Å; E253-K257 VanDerWaalsContact O-N 3.13Å; Q254-K257 PolarHBondContact O-N 3.25Å; Y255-K257 VanDerWaalsContact C-N 3.27Å; Y255-K257 PolarHBondContact O-N 3.16Å; K257-K260 PolarHBondContact O-N 3.02Å; K257-R261 WeakPolarHBondContact O-CB 3.48Å; K257-R261 PolarHBondContact O-N 3.44Å
258A81.3Confident75.9Confident4 Ų472 Ų723%0.03336%0.357CS..Hα-helixtrans-61.8-43.7176.600000111E165 V168 Q254 Y255 K260 R261 L262E165-A258 HydrophobicContact CG-CB 3.87Å; V168-A258 HydrophobicContact CG2-CB 3.95Å; Q254-A258 VanDerWaalsContact O-CB 3.25Å; Q254-A258 WeakPolarHBondContact O-CB 3.49Å; Q254-A258 PolarHBondContact O-N 2.91Å; Y255-A258 CarbonylContact O-C 3.5Å; Y255-A258 PolarHBondContact O-N 3.16Å; Y255-A258 VanDerWaalsContact O-N 3.11Å; A258-K260 PolarHBondContact O-N 2.98Å; A258-R261 PolarHBondContact O-N 3.08Å; A258-L262 HydrophobicContact CB-CD1 4.47Å; A258-L262 VanDerWaalsContact O-CB 3.24Å; A258-L262 WeakPolarHBondContact O-CB 3.23Å; A258-L262 VanDerWaalsContact O-CG 3.25Å; A258-L262 WeakPolarHBondContact O-CG 3.44Å; A258-L262 PolarHBondContact O-N 3.2Å
259Q83.2Confident75.5Confident81 Ų8175.5 Ų75.538%0.37937%0.366SS..Hα-helixtrans-59.6-47177.5-167.4-176.525.300111.5V168 Y255 R261 L262 S263V168-Q259 HydrophobicContact CG1-CB 4.41Å; V168-Q259 HydrophobicContact CG2-CB 4.09Å; Y255-Q259 WeakPolarHBondContact O-CB 3.3Å; Y255-Q259 PolarHBondContact O-N 3.11Å; Q259-R261 PolarHBondContact O-N 3.39Å; Q259-L262 PolarHBondContact O-N 3.39Å; Q259-S263 WeakPolarHBondContact O-CB 2.91Å; Q259-S263 PolarHBondContact O-N 3.25Å
260K82.9Confident74.6Confident169 Ų16976.6 Ų76.674%0.73538%0.375SS*.Hα-helixtrans-62.1-42.8176-173.7176.3-179.9177.60112.3A256 K257 A258 T264A256-K260 PolarHBondContact O-N 3.47Å; K257-K260 PolarHBondContact O-N 3.02Å; A258-K260 PolarHBondContact O-N 2.98Å; K260-T264 PolarHBondContact O-OG1 3.38Å; K260-T264 VanDerWaalsContact O-OG1 3.11Å
261R82.4Confident73.5Confident137 Ų13781.7 Ų81.752%0.51739%0.394SS..Hα-helixtrans-65.7-48.4178.9-176.1-174.8-177.6-170.75.1111.5E165 K257 A258 Q259 K265E165-R261 IonicContact OE1-CZ 2.75Å; E165-R261 IonicContact OE1-NH1 3.22Å; E165-R261 PolarHBondContact OE1-NH1 3.22Å; K257-R261 WeakPolarHBondContact O-CB 3.48Å; K257-R261 PolarHBondContact O-N 3.44Å; A258-R261 PolarHBondContact O-N 3.08Å; Q259-R261 PolarHBondContact O-N 3.39Å; R261-K265 PolarHBondContact O-N 3.37Å
262L83.5Confident71.9Confident1 Ų189.8 Ų89.81%0.00543%0.429CS..Hα-helixtrans-76.6-33.7-175-67.7172.3000112.2I119 I123 E165 V168 L169 A258 Q259 T264 K265 I266I119-L262 HydrophobicContact CG2-CD2 4.16Å; I123-L262 HydrophobicContact CD1-CD2 3.81Å; E165-L262 HydrophobicContact CB-CD1 4.18Å; E165-L262 HydrophobicContact CG-CD1 4.23Å; V168-L262 HydrophobicContact CB-CD1 3.82Å; V168-L262 HydrophobicContact CG1-CB 4.11Å; V168-L262 HydrophobicContact CG1-CD1 3.65Å; L169-L262 HydrophobicContact CD2-CD1 4.15Å; L169-L262 HydrophobicContact CD2-CD2 4.35Å; L169-L262 HydrophobicContact CG-CD1 3.94Å; A258-L262 HydrophobicContact CB-CD1 4.47Å; A258-L262 VanDerWaalsContact O-CB 3.24Å; A258-L262 WeakPolarHBondContact O-CB 3.23Å; A258-L262 VanDerWaalsContact O-CG 3.25Å; A258-L262 WeakPolarHBondContact O-CG 3.44Å; A258-L262 PolarHBondContact O-N 3.2Å; Q259-L262 PolarHBondContact O-N 3.39Å; L262-T264 PolarHBondContact O-N 3.38Å; L262-K265 HydrophobicContact CD2-CD 4.36Å; L262-K265 CarbonylContact O-C 3.58Å; L262-K265 WeakPolarHBondContact O-CA 3.36Å; L262-K265 WeakPolarHBondContact O-CB 3.26Å; L262-K265 PolarHBondContact O-N 3.13Å; L262-I266 HydrophobicContact CB-CD1 4.28Å; L262-I266 WeakPolarHBondContact O-CB 3.5Å; L262-I266 VanDerWaalsContact O-CG1 3.24Å; L262-I266 WeakPolarHBondContact O-CG1 3.5Å; L262-I266 PolarHBondContact O-N 3.14Å
263S81.4Confident70Confident31 Ų3191.2 Ų91.222%0.21744%0.437CS..Hα-helixtrans-56.1-42.4172.7-1770000111Q259 K265 I266 N267Q259-S263 WeakPolarHBondContact O-CB 2.91Å; Q259-S263 PolarHBondContact O-N 3.25Å; S263-K265 VanDerWaalsContact C-N 3.33Å; S263-K265 PolarHBondContact O-N 2.56Å; S263-I266 PolarHBondContact O-N 3.4Å; S263-N267 WeakPolarHBondContact O-CB 3.41Å; S263-N267 PolarHBondContact O-N 3.34Å; S263-N267 PolarHBondContact O-ND2 2.89Å; S263-N267 VanDerWaalsContact O-ND2 3.15Å; S263-N267 PolarHBondContact OG-ND2 3.18Å
264T80.1Confident67.8Low109 Ų10994.3 Ų94.367%0.66945%0.448SS*.Hα-helixtrans-62.4-38173.7-48.20000112.5K260 L262K260-T264 PolarHBondContact O-OG1 3.38Å; K260-T264 VanDerWaalsContact O-OG1 3.11Å; L262-T264 PolarHBondContact O-N 3.38Å
265K80.2Confident65.7Low73 Ų73105.1 Ų105.132%0.31750%0.499SS..Hα-helixtrans-71.1-39.9175.8-77.6-166169-162.80112.3K115 I119 E122 R261 L262 S263K115-K265 WeakPolarHBondContact CE-O 3.37Å; K115-K265 PolarHBondContact NZ-O 2.95Å; I119-K265 HydrophobicContact CD1-CB 4.2Å; E122-K265 IonicContact OE1-NZ 3.27Å; E122-K265 PolarHBondContact OE1-NZ 2.61Å; E122-K265 IonicContact OE2-NZ 3.34Å; R261-K265 PolarHBondContact O-N 3.37Å; L262-K265 HydrophobicContact CD2-CD 4.36Å; L262-K265 CarbonylContact O-C 3.58Å; L262-K265 WeakPolarHBondContact O-CA 3.36Å; L262-K265 WeakPolarHBondContact O-CB 3.26Å; L262-K265 PolarHBondContact O-N 3.13Å; S263-K265 VanDerWaalsContact C-N 3.33Å; S263-K265 PolarHBondContact O-N 2.56Å
266I78.2Confident65.1Low1 Ų1108 Ų1081%0.00551%0.514CS..Hα-helixtrans-76.7-42.3-175.1-66.9165.1000110.6Y112 K115 I116 I119 L169 Y172 L262 S263 L268Y112-I266 HydrophobicContact CD1-CG2 3.84Å; Y112-I266 HydrophobicContact CE1-CG2 4.09Å; K115-I266 WeakPolarHBondContact CD-O 3.4Å; K115-I266 WeakPolarHBondContact CE-O 3.39Å; K115-I266 PolarHBondContact NZ-O 3.38Å; I116-I266 HydrophobicContact CD1-CG2 4.49Å; I116-I266 HydrophobicContact CG1-CD1 4.31Å; I116-I266 HydrophobicContact CG1-CG1 4.26Å; I116-I266 HydrophobicContact CG1-CG2 4.24Å; I119-I266 HydrophobicContact CD1-CG1 3.88Å; L169-I266 HydrophobicContact CD2-CD1 4.01Å; Y172-I266 HydrophobicContact CD1-CD1 4.5Å; Y172-I266 HydrophobicContact CD2-CD1 3.38Å; Y172-I266 HydrophobicContact CE2-CD1 3.68Å; Y172-I266 HydrophobicContact CG-CD1 3.85Å; L262-I266 HydrophobicContact CB-CD1 4.28Å; L262-I266 WeakPolarHBondContact O-CB 3.5Å; L262-I266 VanDerWaalsContact O-CG1 3.24Å; L262-I266 WeakPolarHBondContact O-CG1 3.5Å; L262-I266 PolarHBondContact O-N 3.14Å; S263-I266 PolarHBondContact O-N 3.4Å; I266-L268 PolarHBondContact O-N 3.39Å
267N75.6Confident64.3Low73 Ų73110.9 Ų110.939%0.3952%0.519SS..  trans-55.3111.1176.7-75.9-27000109.7K115 S263K115-N267 PolarHBondContact NZ-O 3.09Å; S263-N267 WeakPolarHBondContact O-CB 3.41Å; S263-N267 PolarHBondContact O-N 3.34Å; S263-N267 PolarHBondContact O-ND2 2.89Å; S263-N267 VanDerWaalsContact O-ND2 3.15Å; S263-N267 PolarHBondContact OG-ND2 3.18Å
268L62.6Low63.3Low52 Ų52108.9 Ų108.927%0.27251%0.512SS..  trans-80.6116.9168-73.7162.7000106.1I107 K115 I266 V270I107-L268 HydrophobicContact CD1-CB 3.1Å; I107-L268 HydrophobicContact CD1-CD1 3.8Å; I107-L268 HydrophobicContact CD1-CG 4.04Å; I107-L268 HydrophobicContact CG2-CD1 3.85Å; K115-L268 HydrophobicContact CD-CD1 4.04Å; K115-L268 HydrophobicContact CD-CD2 3.79Å; K115-L268 HydrophobicContact CD-CG 3.72Å; K115-L268 VanDerWaalsContact NZ-CD2 3.27Å; K115-L268 VanDerWaalsContact NZ-CG 3.35Å; I266-L268 PolarHBondContact O-N 3.39Å; L268-V270 PolarHBondContact O-N 3.44Å
269Q50.6Low62.2Low158 Ų158115.1 Ų115.174%0.73854%0.54SS*.  trans-68115.1166.1-73.4-176.9-4.200107.2Y271Q269-Y271 PolarHBondContact O-N 3.43Å; Q269-Y271 VanDerWaalsContact O-N 3.13Å
270V43.4Very low60.9Low74 Ų74117.2 Ų117.245%0.44855%0.55SS.*  trans-70.4104.9159.5178.50000105.7N105 I107 L268 K272N105-V270 WeakPolarHBondContact O-CG2 3.41Å; I107-V270 HydrophobicContact CD1-CG2 3.51Å; I107-V270 HydrophobicContact CG1-CG2 3.44Å; I107-V270 VanDerWaalsContact CG1-CG2 3.44Å; L268-V270 PolarHBondContact O-N 3.44Å; V270-K272 VanDerWaalsContact C-N 3.31Å; V270-K272 PolarHBondContact O-N 2.84Å
271Y39Very low59.4Low185 Ų185113.7 Ų113.773%0.72554%0.538SS*.  trans-58.8107.9153.2-74.7-80.1000105.4Q269 N273Q269-Y271 PolarHBondContact O-N 3.43Å; Q269-Y271 VanDerWaalsContact O-N 3.13Å; Y271-N273 PolarHBondContact O-N 3.46Å
272K35.6Very low57.8Low195 Ų195112.1 Ų112.185%0.84854%0.539SS*.  trans-61.287.6160.6-75.9-172.9176.8-175.20105.7V270 K274V270-K272 VanDerWaalsContact C-N 3.31Å; V270-K272 PolarHBondContact O-N 2.84Å; K272-K274 PolarHBondContact O-N 3.36Å
273N35.9Very low55.8Low144 Ų144120.6 Ų120.677%0.7758%0.58SS**  trans-61.6121.7160.3-80.1-11.4000105.3Y271 E275Y271-N273 PolarHBondContact O-N 3.46Å; N273-E275 PolarHBondContact O-N 3.35Å
274K31.8Very low53.7Low205 Ų205128.1 Ų128.189%0.89161%0.611SS**  trans-44.9116.2178-65.2169.8174.4178.20110.5K272K272-K274 PolarHBondContact O-N 3.36Å
275E31.3Very low51.3Low268 Ų268129.8 Ų129.8100%1.25261%0.605SS**  trans-154.30147.3-96.4175.8-169.800106.6N273N273-E275 PolarHBondContact O-N 3.35Å

Retrieved 275 of 275 residues in 129.1 ms (Link to these results)

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