A0A077YZ30_TRITR Loading...

Mito carr domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 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
1M29.4Very low43.8Very low219 Ų219127 Ų127100%1.07969%0.688SS**  0126.90-79.1174.2171.400107E3M1-E3 PolarHBondContact O-N 3.2Å
2R23.1Very low46.5Very low239 Ų239125 Ų12590%0.90268%0.683SS**  trans-46.2120.8-174.6-81.4176.4175.2171-3.1110.8T4R2-T4 PolarHBondContact O-N 3.38Å
3E27Very low49Very low190 Ų190118.5 Ų118.589%0.88866%0.656SS**  trans-63.377.4161.2-65177.6160.900107.4M1 G5M1-E3 PolarHBondContact O-N 3.2Å; E3-G5 PolarHBondContact O-N 3.3Å
4T31.1Very low51.1Low91 Ų91114.3 Ų114.356%0.55863%0.632SS**  trans-51.8125.3155.547.90000105.3R2 K6R2-T4 PolarHBondContact O-N 3.38Å; T4-K6 WeakPolarHBondContact O-CG 3.39Å; T4-K6 PolarHBondContact O-N 2.97Å
5G29.7Very low53.1Low84 Ų84110.3 Ų110.387%0.86661%0.606SS**  trans-57.162.3-17100000114.8E3 S7E3-G5 PolarHBondContact O-N 3.3Å; G5-S7 PolarHBondContact O-N 2.86Å; G5-S7 VanDerWaalsContact O-N 3.09Å
6K40.7Very low55Low105 Ų105109 Ų10946%0.45760%0.597SS.*  trans-67.6107.5178-76.5178.3-178.6-173.90105.5T4 Q8 Y292T4-K6 WeakPolarHBondContact O-CG 3.39Å; T4-K6 PolarHBondContact O-N 2.97Å; K6-Q8 PolarHBondContact O-N 3.37Å; K6-Y292 PolarHBondContact NZ-OH 3.34Å
7S43.5Very low56.6Low66 Ų66105.3 Ų105.346%0.46258%0.576SS.*  trans-42107.3170.456.20000109G5 L9G5-S7 PolarHBondContact O-N 2.86Å; G5-S7 VanDerWaalsContact O-N 3.09Å; S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.04Å
8Q52.5Low57.9Low190 Ų190100.9 Ų100.989%0.88856%0.556SS**  trans-7094.9179.5-65.9-15312.500107.6K6K6-Q8 PolarHBondContact O-N 3.37Å
9L59.5Low59.4Low55 Ų5595.6 Ų95.629%0.28853%0.527SS..  trans-54143.9163.1-77.3169.5000108.6S7 A13 N14 L17 M299S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.04Å; L9-A13 HydrophobicContact CB-CB 4.04Å; L9-A13 HydrophobicContact CD2-CB 4Å; L9-A13 HydrophobicContact CG-CB 4.44Å; L9-N14 VanDerWaalsContact CB-OD1 3.32Å; L9-N14 WeakPolarHBondContact CB-OD1 3.39Å; L9-N14 PolarHBondContact O-ND2 3.22Å; L9-L17 HydrophobicContact CD1-CD2 4.15Å; L9-M299 HydrophobicContact CD1-CE 3.67Å; L9-M299 HydrophobicContact CD1-SD 3.61Å; L9-M299 HydrophobicContact CD2-SD 4.21Å; L9-M299 HydrophobicContact CG-CE 4.26Å; L9-M299 HydrophobicContact CG-SD 4.22Å
10G70.4Confident60.7Low42 Ų4294.3 Ų94.343%0.43352%0.522SS..  trans-58.4157.9174.300000112V12 A13 N14G10-V12 PolarHBondContact O-N 3.38Å; G10-V12 VanDerWaalsContact O-N 3.14Å; G10-A13 PolarHBondContact O-N 3.2Å; G10-N14 PolarHBondContact O-N 3.07Å
11P74.7Confident61.7Low116 Ų11690.4 Ų90.475%0.75350%0.501SS*.Hα-helixtrans-52.8-40.2-175.8-27.334000113.7N14 F15P11-N14 PolarHBondContact O-N 2.8Å; P11-F15 WeakPolarHBondContact O-CB 3.46Å; P11-F15 PolarHBondContact O-N 3.04Å
12V76.5Confident64.4Low103 Ų10381.2 Ų81.262%0.62446%0.462SS*.Hα-helixtrans-66-41.8178.8-179.90000111.7G10 F15 L16G10-V12 PolarHBondContact O-N 3.38Å; G10-V12 VanDerWaalsContact O-N 3.14Å; V12-F15 WeakPolarHBondContact O-CB 3.41Å; V12-F15 PolarHBondContact O-N 3.25Å; V12-L16 HydrophobicContact CG1-CD1 4.16Å; V12-L16 HydrophobicContact CG1-CG 4.42Å; V12-L16 WeakPolarHBondContact O-CG 3.13Å; V12-L16 PolarHBondContact O-N 3.38Å
13A79.1Confident67.5Low40 Ų4070.6 Ų70.633%0.33143%0.426SS..Hα-helixtrans-67-40.5178.400000111.3L9 G10 F15 L16 L17L9-A13 HydrophobicContact CB-CB 4.04Å; L9-A13 HydrophobicContact CD2-CB 4Å; L9-A13 HydrophobicContact CG-CB 4.44Å; G10-A13 PolarHBondContact O-N 3.2Å; A13-F15 VanDerWaalsContact C-N 3.34Å; A13-F15 PolarHBondContact O-N 3.48Å; A13-L16 PolarHBondContact O-N 2.72Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 PolarHBondContact O-N 2.82Å
14N77.8Confident70.4Confident60 Ų6065.1 Ų65.132%0.32141%0.405SS..Hα-helixtrans-61.9-41172.6-74.6-31.8000112.1L9 G10 P11 L17 A18L9-N14 VanDerWaalsContact CB-OD1 3.32Å; L9-N14 WeakPolarHBondContact CB-OD1 3.39Å; L9-N14 PolarHBondContact O-ND2 3.22Å; G10-N14 PolarHBondContact O-N 3.07Å; P11-N14 PolarHBondContact O-N 2.8Å; N14-L17 PolarHBondContact O-N 3.21Å; N14-A18 VanDerWaalsContact O-CB 3.28Å; N14-A18 WeakPolarHBondContact O-CB 3.4Å; N14-A18 PolarHBondContact O-N 3.07Å
15F81.9Confident73.1Confident54 Ų5461.2 Ų61.224%0.23738%0.383CS..Hα-helixtrans-63-50.5176.3171.2-102.4000112.3P11 V12 A13 L17 A18 G19 F78 V81 G82 Y85P11-F15 WeakPolarHBondContact O-CB 3.46Å; P11-F15 PolarHBondContact O-N 3.04Å; V12-F15 WeakPolarHBondContact O-CB 3.41Å; V12-F15 PolarHBondContact O-N 3.25Å; A13-F15 VanDerWaalsContact C-N 3.34Å; A13-F15 PolarHBondContact O-N 3.48Å; F15-L17 VanDerWaalsContact C-N 3.27Å; F15-L17 PolarHBondContact O-N 2.6Å; F15-A18 PolarHBondContact O-N 3.15Å; F15-G19 PolarHBondContact O-N 3.4Å; F15-F78 HydrophobicContact CE1-CD1 4.17Å; F15-F78 WeakPolarHBondContact CE2-O 3.5Å; F15-F78 HydrophobicContact CZ-CB 4.14Å; F15-F78 HydrophobicContact CZ-CD1 4.02Å; F15-F78 WeakPolarHBondContact CZ-O 3.45Å; F15-V81 HydrophobicContact CD2-CG1 3.9Å; F15-V81 HydrophobicContact CE2-CB 4.21Å; F15-V81 HydrophobicContact CE2-CG1 4.03Å; F15-G82 VanDerWaalsContact CE2-CA 3.45Å; F15-Y85 HydrophobicContact CD2-CD2 4.28Å
16L83.9Confident75.9Confident90 Ų9058.9 Ų58.947%0.47135%0.348SS..Hα-helixtrans-62.2-38.8178.5-71176.2000111.4V12 A13 G19 T20V12-L16 HydrophobicContact CG1-CD1 4.16Å; V12-L16 HydrophobicContact CG1-CG 4.42Å; V12-L16 WeakPolarHBondContact O-CG 3.13Å; V12-L16 PolarHBondContact O-N 3.38Å; A13-L16 PolarHBondContact O-N 2.72Å; L16-G19 PolarHBondContact O-N 3.17Å; L16-T20 WeakPolarHBondContact O-CB 3.41Å; L16-T20 VanDerWaalsContact O-CG2 3.32Å; L16-T20 WeakPolarHBondContact O-CG2 3.24Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 3.45Å
17L81Confident78.3Confident46 Ų4655.5 Ų55.524%0.24134%0.34CS..Hα-helixtrans-64.7-49176-178.168.4000111.4L9 A13 N14 F15 G19 T20 T21 M291 L295L9-L17 HydrophobicContact CD1-CD2 4.15Å; A13-L17 WeakPolarHBondContact O-CB 3.32Å; A13-L17 PolarHBondContact O-N 2.82Å; N14-L17 PolarHBondContact O-N 3.21Å; F15-L17 VanDerWaalsContact C-N 3.27Å; F15-L17 PolarHBondContact O-N 2.6Å; L17-G19 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3.05Å; L17-T20 WeakPolarHBondContact CA-OG1 3.14Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-T20 PolarHBondContact O-OG1 3.15Å; L17-T21 WeakPolarHBondContact O-CB 3.43Å; L17-T21 PolarHBondContact O-N 2.96Å; L17-T21 PolarHBondContact O-OG1 2.95Å; L17-M291 HydrophobicContact CD1-CE 4.05Å; L17-L295 HydrophobicContact CD1-CD1 3.84Å; L17-L295 HydrophobicContact CD1-CD2 3.21Å; L17-L295 HydrophobicContact CD1-CG 4.14Å; L17-L295 HydrophobicContact CD2-CD2 3.23Å; L17-L295 HydrophobicContact CG-CD2 3.71Å
18A80.5Confident80.4Confident26 Ų2659.1 Ų59.122%0.21535%0.347CS..Hα-helixtrans-60.8-40.9176.500000111.7N14 F15 G22 V81 Y85N14-A18 VanDerWaalsContact O-CB 3.28Å; N14-A18 WeakPolarHBondContact O-CB 3.4Å; N14-A18 PolarHBondContact O-N 3.07Å; F15-A18 PolarHBondContact O-N 3.15Å; A18-G22 PolarHBondContact O-N 3.16Å; A18-V81 HydrophobicContact CB-CG1 3.88Å; A18-Y85 HydrophobicContact CB-CE2 4.14Å
19G85.8Confident82.2Confident0 Ų050.1 Ų50.10%031%0.306CS..Hα-helixtrans-62.6-49.4176.700000113F15 L16 L17 G22 A23F15-G19 PolarHBondContact O-N 3.4Å; L16-G19 PolarHBondContact O-N 3.17Å; L17-G19 VanDerWaalsContact C-N 3.31Å; L17-G19 PolarHBondContact O-N 3.05Å; G19-G22 PolarHBondContact O-N 3.29Å; G19-A23 WeakPolarHBondContact O-CB 3.33Å; G19-A23 PolarHBondContact O-N 2.88Å
20T85.3Confident83.8Confident69 Ų6947.5 Ų47.542%0.42329%0.292SS..Hα-helixtrans-65.3-40.7177.650.50000112.1L16 L17 G22 A23 V24L16-T20 WeakPolarHBondContact O-CB 3.41Å; L16-T20 VanDerWaalsContact O-CG2 3.32Å; L16-T20 WeakPolarHBondContact O-CG2 3.24Å; L16-T20 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-OG1 3.45Å; L17-T20 WeakPolarHBondContact CA-OG1 3.14Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-T20 PolarHBondContact O-OG1 3.15Å; T20-G22 PolarHBondContact O-N 3.49Å; T20-A23 WeakPolarHBondContact O-CB 3.01Å; T20-A23 PolarHBondContact O-N 3.07Å; T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 2.91Å
21T83.4Confident84.8Confident14 Ų1447 Ų479%0.08628%0.281CS..Hα-helixtrans-57-50.6172.2-49.90000111.4L17 A23 V24 G25 V287 M291L17-T21 WeakPolarHBondContact O-CB 3.43Å; L17-T21 PolarHBondContact O-N 2.96Å; L17-T21 PolarHBondContact O-OG1 2.95Å; T21-A23 VanDerWaalsContact C-N 3.29Å; T21-A23 PolarHBondContact O-N 3.45Å; T21-V24 PolarHBondContact O-N 2.98Å; T21-G25 PolarHBondContact O-N 3.45Å; T21-V287 HydrophobicContact CG2-CG1 3.97Å; T21-M291 HydrophobicContact CG2-CB 3.5Å; T21-M291 VanDerWaalsContact CG2-CB 3.5Å; T21-M291 HydrophobicContact CG2-CE 3.94Å; T21-M291 HydrophobicContact CG2-CG 3.48Å; T21-M291 VanDerWaalsContact CG2-CG 3.48Å; T21-M291 HydrophobicContact CG2-SD 4.09Å; T21-M291 WeakPolarHBondContact OG1-CE 3.46Å; T21-M291 VanDerWaalsContact OG1-CG 3.28Å; T21-M291 WeakPolarHBondContact OG1-CG 3.19Å
22G85.4Confident85.6Confident25 Ų2544.9 Ų44.926%0.25826%0.26SS..Hα-helixtrans-59.4-43.8179.200000110.6A18 G19 T20 G25 R26 I77A18-G22 PolarHBondContact O-N 3.16Å; G19-G22 PolarHBondContact O-N 3.29Å; T20-G22 PolarHBondContact O-N 3.49Å; G22-G25 PolarHBondContact O-N 3.36Å; G22-R26 WeakPolarHBondContact O-CB 3.33Å; G22-R26 PolarHBondContact O-N 2.59Å; G22-I77 VanDerWaalsContact O-CD1 3.24Å; G22-I77 WeakPolarHBondContact O-CD1 3.31Å
23A88.4Confident86.3Confident17 Ų1740.1 Ų40.114%0.1423%0.231CC..Hα-helixtrans-59.7-48.3178.700000112.1G19 T20 T21 R26 A27 V74 I77G19-A23 WeakPolarHBondContact O-CB 3.33Å; G19-A23 PolarHBondContact O-N 2.88Å; T20-A23 WeakPolarHBondContact O-CB 3.01Å; T20-A23 PolarHBondContact O-N 3.07Å; T21-A23 VanDerWaalsContact C-N 3.29Å; T21-A23 PolarHBondContact O-N 3.45Å; A23-R26 PolarHBondContact O-N 3.09Å; A23-A27 PolarHBondContact O-N 3.32Å; A23-V74 HydrophobicContact CB-CG1 3.74Å; A23-V74 HydrophobicContact CB-CG2 4.34Å; A23-I77 HydrophobicContact CB-CD1 4.46Å
24V87.5Confident86.9Confident75 Ų7538.2 Ų38.246%0.45522%0.215SC..Hα-helixtrans-62.2-49.6177.1174.70000110.6T20 T21 R26 A27 F28T20-V24 WeakPolarHBondContact O-CG2 3.43Å; T20-V24 PolarHBondContact O-N 2.91Å; T21-V24 PolarHBondContact O-N 2.98Å; V24-R26 PolarHBondContact O-N 2.92Å; V24-A27 WeakPolarHBondContact O-CB 3.49Å; V24-A27 PolarHBondContact O-N 2.68Å; V24-A27 VanDerWaalsContact O-N 3.12Å; V24-F28 HydrophobicContact CG1-CD2 3.84Å; V24-F28 HydrophobicContact CG1-CE2 3.66Å; V24-F28 VanDerWaalsContact O-CD2 3.28Å; V24-F28 WeakPolarHBondContact O-CD2 3.29Å; V24-F28 PolarHBondContact O-N 2.94Å; V24-F28 VanDerWaalsContact O-N 3.11Å
25G86.9Confident87.6Confident9 Ų936 Ų369%0.09320%0.203CC..Hα-helixtrans-59.9-36.1177.500000112.8T21 G22 A29T21-G25 PolarHBondContact O-N 3.45Å; G22-G25 PolarHBondContact O-N 3.36Å; G25-A29 VanDerWaalsContact O-CB 3.28Å; G25-A29 WeakPolarHBondContact O-CB 3.41Å; G25-A29 PolarHBondContact O-N 3.24Å
26R88.7Confident88Confident35 Ų3534.1 Ų34.113%0.13220%0.195CC..Hα-helixtrans-71.5-35.3177.3-160.170.5176100.4-4.4112.4G22 A23 V24 A29 H30 S33 S73 I77G22-R26 WeakPolarHBondContact O-CB 3.33Å; G22-R26 PolarHBondContact O-N 2.59Å; A23-R26 PolarHBondContact O-N 3.09Å; V24-R26 PolarHBondContact O-N 2.92Å; R26-A29 CarbonylContact O-C 3.56Å; R26-H30 WeakPolarHBondContact O-CA 3.4Å; R26-H30 VanDerWaalsContact O-CB 3.25Å; R26-H30 WeakPolarHBondContact O-CB 3.45Å; R26-H30 PolarHBondContact O-N 2.95Å; R26-S33 PolarHBondContact NH1-OG 3.37Å; R26-S73 WeakPolarHBondContact CG-OG 3.45Å; R26-S73 PolarHBondContact NE-OG 2.89Å; R26-I77 HydrophobicContact CB-CD1 3.66Å; R26-I77 HydrophobicContact CG-CD1 4.11Å
27A90.8Very high88.4Confident34 Ų3430.2 Ų30.228%0.28118%0.175SC..Hα-helixtrans-63.4-47.3175.100000111.3A23 V24 H30 L70A23-A27 PolarHBondContact O-N 3.32Å; V24-A27 WeakPolarHBondContact O-CB 3.49Å; V24-A27 PolarHBondContact O-N 2.68Å; V24-A27 VanDerWaalsContact O-N 3.12Å; A27-H30 VanDerWaalsContact O-CB 3.25Å; A27-H30 WeakPolarHBondContact O-CB 3.4Å; A27-H30 PolarHBondContact O-N 3.12Å; A27-L70 HydrophobicContact CB-CD1 4.2Å
28F89.1Confident88.7Confident141 Ų14128.4 Ų28.462%0.61817%0.165SC*.Hα-helixtrans-65.4-41.2175.9-76.9-72000113V24 H30 P283 V287V24-F28 HydrophobicContact CG1-CD2 3.84Å; V24-F28 HydrophobicContact CG1-CE2 3.66Å; V24-F28 VanDerWaalsContact O-CD2 3.28Å; V24-F28 WeakPolarHBondContact O-CD2 3.29Å; V24-F28 PolarHBondContact O-N 2.94Å; V24-F28 VanDerWaalsContact O-N 3.11Å; F28-H30 PolarHBondContact O-N 3.4Å; F28-P283 HydrophobicContact CB-CB 4.34Å; F28-V287 HydrophobicContact CD2-CG2 4.46Å
29A90.6Very high89.2Confident2 Ų227.3 Ų27.32%0.01716%0.156CC..THydrogen-bonded Turntrans-79.90.5176.700000113.4G25 R26 S33 K280 P283G25-A29 VanDerWaalsContact O-CB 3.28Å; G25-A29 WeakPolarHBondContact O-CB 3.41Å; G25-A29 PolarHBondContact O-N 3.24Å; R26-A29 CarbonylContact O-C 3.56Å; A29-S33 PolarHBondContact O-N 3.17Å; A29-S33 VanDerWaalsContact O-N 3.1Å; A29-K280 HydrophobicContact CB-CG 4.19Å; A29-P283 HydrophobicContact CB-CB 4.2Å
30H91.5Very high89.3Confident0 Ų027.3 Ų27.30%016%0.156CC..Hα-helixtrans-65.5-48.9-170.7-157.8-82.2000113.1R26 A27 F28 F32 S33 V34 F66 K68 L70 K131R26-H30 WeakPolarHBondContact O-CA 3.4Å; R26-H30 VanDerWaalsContact O-CB 3.25Å; R26-H30 WeakPolarHBondContact O-CB 3.45Å; R26-H30 PolarHBondContact O-N 2.95Å; A27-H30 VanDerWaalsContact O-CB 3.25Å; A27-H30 WeakPolarHBondContact O-CB 3.4Å; A27-H30 PolarHBondContact O-N 3.12Å; F28-H30 PolarHBondContact O-N 3.4Å; H30-F32 VanDerWaalsContact C-N 3.31Å; H30-F32 PolarHBondContact O-N 2.93Å; H30-S33 CarbonylContact O-C 3.58Å; H30-S33 WeakPolarHBondContact O-CA 3.35Å; H30-S33 WeakPolarHBondContact O-CB 3.35Å; H30-S33 PolarHBondContact O-N 3.39Å; H30-S33 PolarHBondContact O-OG 2.99Å; H30-V34 VanDerWaalsContact CE1-CG2 3.44Å; H30-V34 WeakPolarHBondContact CE1-CG2 3.21Å; H30-V34 PolarHBondContact O-N 3.38Å; H30-F66 PolarHBondContact ND1-O 3.41Å; H30-K68 PolarHBondContact CE1-O 3.48Å; H30-L70 HydrophobicContact CB-CD1 3.98Å; H30-L70 VanDerWaalsContact CD2-CD1 3.47Å; H30-L70 WeakPolarHBondContact CD2-CD1 3.42Å; H30-K131 PolarHBondContact NE2-NZ 3.35Å; H30-K131 VanDerWaalsContact NE2-NZ 3.16Å
31P92.4Very high89.4Confident31 Ų3124 Ų2420%0.20114%0.135CC..Hα-helixtrans-56.1-44.9-179.4-2737.1000112.4S33 V34 L35 F66 F67P31-S33 VanDerWaalsContact C-N 3.27Å; P31-S33 PolarHBondContact O-N 2.83Å; P31-V34 PolarHBondContact O-N 2.93Å; P31-L35 WeakPolarHBondContact O-CG 3.35Å; P31-L35 PolarHBondContact O-N 3.1Å; P31-F66 HydrophobicContact CB-CB 4.06Å; P31-F66 HydrophobicContact CB-CD1 3.94Å; P31-F66 HydrophobicContact CB-CG 4.37Å; P31-F66 HydrophobicContact CG-CB 4.34Å; P31-F67 HydrophobicContact CG-CE1 4.36Å; P31-F67 HydrophobicContact CG-CZ 4.29Å
32F92Very high89.3Confident72 Ų7223.5 Ų23.532%0.31613%0.133SC..Hα-helixtrans-64.5-32.6175.5-60.7-69.4000112.5H30 L35 K36 C279 K280 P283H30-F32 VanDerWaalsContact C-N 3.31Å; H30-F32 PolarHBondContact O-N 2.93Å; F32-L35 PolarHBondContact O-N 3.38Å; F32-K36 WeakPolarHBondContact O-CB 3.49Å; F32-K36 PolarHBondContact O-N 2.85Å; F32-C279 HydrophobicContact CD1-CB 3.6Å; F32-C279 HydrophobicContact CE1-CB 3.74Å; F32-C279 HydrophobicContact CG-CB 4.23Å; F32-C279 HydrophobicContact CZ-CB 4.47Å; F32-K280 HydrophobicContact CB-CB 3.77Å; F32-K280 HydrophobicContact CB-CG 4.34Å; F32-P283 HydrophobicContact CD2-CG 4.28Å; F32-P283 HydrophobicContact CE2-CG 4.19Å
33S90.9Very high89.1Confident2 Ų223 Ų231%0.01412%0.124CC..Hα-helixtrans-71.5-32.2175.278.70000113.6R26 A29 H30 P31 I37 K131R26-S33 PolarHBondContact NH1-OG 3.37Å; A29-S33 PolarHBondContact O-N 3.17Å; A29-S33 VanDerWaalsContact O-N 3.1Å; H30-S33 CarbonylContact O-C 3.58Å; H30-S33 WeakPolarHBondContact O-CA 3.35Å; H30-S33 WeakPolarHBondContact O-CB 3.35Å; H30-S33 PolarHBondContact O-N 3.39Å; H30-S33 PolarHBondContact O-OG 2.99Å; P31-S33 VanDerWaalsContact C-N 3.27Å; P31-S33 PolarHBondContact O-N 2.83Å; S33-I37 WeakPolarHBondContact O-CB 3.47Å; S33-I37 WeakPolarHBondContact O-CD1 3Å; S33-I37 VanDerWaalsContact O-CG1 3.23Å; S33-I37 WeakPolarHBondContact O-CG1 3.48Å; S33-I37 PolarHBondContact O-N 3Å; S33-K131 PolarHBondContact OG-NZ 3.22Å
34V91.2Very high88.4Confident0 Ų025.7 Ų25.70%014%0.14CC..Hα-helixtrans-64.9-49.3171176.40000109.6H30 P31 K36 I37 Q38 I57 F66 I135H30-V34 VanDerWaalsContact CE1-CG2 3.44Å; H30-V34 WeakPolarHBondContact CE1-CG2 3.21Å; H30-V34 PolarHBondContact O-N 3.38Å; P31-V34 PolarHBondContact O-N 2.93Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 2.98Å; V34-I37 PolarHBondContact O-N 2.96Å; V34-I37 VanDerWaalsContact O-N 3.16Å; V34-Q38 HydrophobicContact CG1-CG 4.41Å; V34-Q38 WeakPolarHBondContact O-CG 3.28Å; V34-Q38 PolarHBondContact O-N 2.73Å; V34-I57 HydrophobicContact CG1-CD1 3.76Å; V34-F66 WeakPolarHBondContact CG2-O 3.37Å; V34-I135 HydrophobicContact CG1-CG2 3.93Å; V34-I135 HydrophobicContact CG2-CD1 4.09Å; V34-I135 HydrophobicContact CG2-CG1 4.29Å
35L91.6Very high87.7Confident14 Ų1422.3 Ų22.37%0.07312%0.121CC..Hα-helixtrans-58.5-43.1177.2-69.1171000112.8P31 F32 S39 T50 A54 I57 F66 A276P31-L35 WeakPolarHBondContact O-CG 3.35Å; P31-L35 PolarHBondContact O-N 3.1Å; F32-L35 PolarHBondContact O-N 3.38Å; L35-S39 VanDerWaalsContact O-CB 3.31Å; L35-S39 WeakPolarHBondContact O-CB 3.44Å; L35-S39 PolarHBondContact O-N 3.42Å; L35-T50 HydrophobicContact CB-CG2 4.25Å; L35-T50 HydrophobicContact CD1-CG2 3.93Å; L35-A54 HydrophobicContact CD1-CB 4.36Å; L35-A54 HydrophobicContact CD2-CB 3.7Å; L35-I57 HydrophobicContact CD2-CD1 3.63Å; L35-I57 HydrophobicContact CG-CD1 4.37Å; L35-F66 HydrophobicContact CD1-CE1 4.29Å; L35-F66 HydrophobicContact CD2-CE1 4.1Å; L35-F66 HydrophobicContact CG-CE1 4.2Å; L35-A276 HydrophobicContact CB-CB 4Å
36K91.7Very high87.1Confident15 Ų1522 Ų227%0.06512%0.117CC..Hα-helixtrans-56.7-54.3173.8176.2-175.8177.2170.30110.2F32 V34 Q38 S39 Q40 D228 A276 N277 K280F32-K36 WeakPolarHBondContact O-CB 3.49Å; F32-K36 PolarHBondContact O-N 2.85Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 2.98Å; K36-Q38 PolarHBondContact O-N 3.32Å; K36-S39 PolarHBondContact O-N 3.45Å; K36-Q40 HydrophobicContact CG-CG 4.23Å; K36-Q40 WeakPolarHBondContact O-CB 3.3Å; K36-Q40 VanDerWaalsContact O-CG 3.23Å; K36-Q40 WeakPolarHBondContact O-CG 3.48Å; K36-Q40 PolarHBondContact O-N 3.49Å; K36-D228 IonicContact NZ-OD2 3.22Å; K36-D228 PolarHBondContact NZ-OD2 3.49Å; K36-A276 HydrophobicContact CB-CB 4.06Å; K36-N277 HydrophobicContact CD-CB 4.1Å; K36-N277 WeakPolarHBondContact CD-OD1 3.44Å; K36-N277 WeakPolarHBondContact CE-OD1 3.39Å; K36-N277 HydrophobicContact CG-CB 4.45Å; K36-N277 VanDerWaalsContact NZ-CG 3.32Å; K36-N277 PolarHBondContact NZ-ND2 3.12Å; K36-N277 PolarHBondContact NZ-OD1 2.9Å; K36-K280 HydrophobicContact CD-CD 4.43Å
37I91.4Very high86.6Confident8 Ų824.4 Ų24.44%0.04113%0.126CC..Hα-helixtrans-64.2-43-174-70.4168.4000111.2S33 V34 S39 Q40 S41 K131 T132 I135S33-I37 WeakPolarHBondContact O-CB 3.47Å; S33-I37 WeakPolarHBondContact O-CD1 3Å; S33-I37 VanDerWaalsContact O-CG1 3.23Å; S33-I37 WeakPolarHBondContact O-CG1 3.48Å; S33-I37 PolarHBondContact O-N 3Å; V34-I37 PolarHBondContact O-N 2.96Å; V34-I37 VanDerWaalsContact O-N 3.16Å; I37-S39 VanDerWaalsContact C-N 3.35Å; I37-S39 PolarHBondContact O-N 3.44Å; I37-Q40 PolarHBondContact O-N 2.64Å; I37-S41 VanDerWaalsContact O-CB 3.31Å; I37-S41 WeakPolarHBondContact O-CB 3.26Å; I37-S41 PolarHBondContact O-N 3.02Å; I37-S41 PolarHBondContact O-OG 3.24Å; I37-S41 VanDerWaalsContact O-OG 3.04Å; I37-K131 HydrophobicContact CD1-CD 4.39Å; I37-K131 HydrophobicContact CD1-CG 4.4Å; I37-T132 HydrophobicContact CG2-CG2 3.98Å; I37-I135 HydrophobicContact CB-CD1 4.42Å; I37-I135 HydrophobicContact CB-CG2 4.06Å; I37-I135 HydrophobicContact CD1-CD1 3.53Å; I37-I135 HydrophobicContact CG2-CB 4.16Å; I37-I135 HydrophobicContact CG2-CD1 4.45Å; I37-I135 HydrophobicContact CG2-CG2 3.73Å
38Q88.1Confident86Confident7 Ų729.4 Ų29.43%0.03315%0.146CC..Hα-helixtrans-64.6-38.6177.6-69.5-161.3-15.600113.1V34 K36 S41 G42 M43 I57 I135V34-Q38 HydrophobicContact CG1-CG 4.41Å; V34-Q38 WeakPolarHBondContact O-CG 3.28Å; V34-Q38 PolarHBondContact O-N 2.73Å; K36-Q38 PolarHBondContact O-N 3.32Å; Q38-S41 PolarHBondContact O-OG 2.85Å; Q38-S41 VanDerWaalsContact O-OG 3.12Å; Q38-G42 PolarHBondContact O-N 3.34Å; Q38-M43 HydrophobicContact CB-SD 3.92Å; Q38-M43 HydrophobicContact CG-SD 3.56Å; Q38-M43 VanDerWaalsContact CG-SD 3.56Å; Q38-M43 PolarHBondContact O-N 2.88Å; Q38-M43 VanDerWaalsContact O-N 3.14Å; Q38-I57 VanDerWaalsContact OE1-CD1 3.23Å; Q38-I135 HydrophobicContact CG-CG2 3.74Å; Q38-I135 PolarHBondContact NE2-O 3.32Å
39S89.9Confident85.8Confident3 Ų324 Ų242%0.02113%0.13CC..Hα-helixtrans-69.1-41.6176.7-166.60000111.6L35 K36 I37 G42 G46 H272 G273L35-S39 VanDerWaalsContact O-CB 3.31Å; L35-S39 WeakPolarHBondContact O-CB 3.44Å; L35-S39 PolarHBondContact O-N 3.42Å; K36-S39 PolarHBondContact O-N 3.45Å; I37-S39 VanDerWaalsContact C-N 3.35Å; I37-S39 PolarHBondContact O-N 3.44Å; S39-G42 PolarHBondContact O-N 2.91Å; S39-G46 WeakPolarHBondContact CA-O 3.5Å; S39-G46 VanDerWaalsContact CB-O 3.27Å; S39-G46 WeakPolarHBondContact CB-O 3.48Å; S39-G46 PolarHBondContact OG-O 2.94Å; S39-H272 WeakPolarHBondContact O-CB 3.11Å; S39-G273 WeakPolarHBondContact OG-CA 3.46Å; S39-G273 PolarHBondContact OG-N 3.36Å
40Q89.7Confident85.6Confident0 Ų025.2 Ų25.20%014%0.137CC..Hα-helixtrans-72.7-34.9179.8-71.1-173.8-31.900113.4K36 I37 G42 V229 H232 K233 H272K36-Q40 HydrophobicContact CG-CG 4.23Å; K36-Q40 WeakPolarHBondContact O-CB 3.3Å; K36-Q40 VanDerWaalsContact O-CG 3.23Å; K36-Q40 WeakPolarHBondContact O-CG 3.48Å; K36-Q40 PolarHBondContact O-N 3.49Å; I37-Q40 PolarHBondContact O-N 2.64Å; Q40-G42 PolarHBondContact O-N 3.34Å; Q40-V229 HydrophobicContact CB-CG2 4.22Å; Q40-V229 HydrophobicContact CG-CG2 3.85Å; Q40-H232 HydrophobicContact CB-CB 3.93Å; Q40-H232 PolarHBondContact OE1-CE1 3.14Å; Q40-H232 PolarHBondContact OE1-ND1 3.37Å; Q40-K233 VanDerWaalsContact O-CG 3.3Å; Q40-K233 WeakPolarHBondContact O-CG 3.32Å; Q40-H272 WeakPolarHBondContact CG-O 3.48Å
41S86Confident85.5Confident0 Ų031.3 Ų31.30%017%0.174CC..Hα-helixtrans-70.7-14.917465.40000112.8I37 Q38 V136 T247I37-S41 VanDerWaalsContact O-CB 3.31Å; I37-S41 WeakPolarHBondContact O-CB 3.26Å; I37-S41 PolarHBondContact O-N 3.02Å; I37-S41 PolarHBondContact O-OG 3.24Å; I37-S41 VanDerWaalsContact O-OG 3.04Å; Q38-S41 PolarHBondContact O-OG 2.85Å; Q38-S41 VanDerWaalsContact O-OG 3.12Å; S41-V136 WeakPolarHBondContact OG-CG1 3.16Å; S41-T247 WeakPolarHBondContact O-CG2 3.32Å
42G82.3Confident85.3Confident3 Ų333.1 Ų33.13%0.03118%0.18CC..THydrogen-bonded Turntrans77.730.8179.700000113.2Q38 S39 Q40 D248Q38-G42 PolarHBondContact O-N 3.34Å; S39-G42 PolarHBondContact O-N 2.91Å; Q40-G42 PolarHBondContact O-N 3.34Å; G42-D248 PolarHBondContact O-N 3.49Å
43M80.1Confident85Confident16 Ų1629.8 Ų29.88%0.07917%0.166CC..  trans-59.5144.4170.1-72.6178.179.900110.1Q38 G45 G46 R47 V136 Y246Q38-M43 HydrophobicContact CB-SD 3.92Å; Q38-M43 HydrophobicContact CG-SD 3.56Å; Q38-M43 VanDerWaalsContact CG-SD 3.56Å; Q38-M43 PolarHBondContact O-N 2.88Å; Q38-M43 VanDerWaalsContact O-N 3.14Å; M43-G45 VanDerWaalsContact C-N 3.27Å; M43-G45 PolarHBondContact O-N 2.81Å; M43-G45 VanDerWaalsContact O-N 3.11Å; M43-G46 PolarHBondContact O-N 2.85Å; M43-R47 PolarHBondContact O-N 3.36Å; M43-V136 WeakPolarHBondContact CE-O 3.43Å; M43-V136 HydrophobicContact CG-CB 4.48Å; M43-V136 HydrophobicContact CG-CG1 4.41Å; M43-V136 HydrophobicContact SD-CB 3.92Å; M43-V136 HydrophobicContact SD-CG1 3.98Å; M43-Y246 WeakPolarHBondContact CA-O 3.34Å
44P74.5Confident85Confident72 Ų7230.7 Ų30.747%0.46817%0.174SC..Hα-helixtrans-48.2-45.9-174.7-30.334.2000113.9
45G72.1Confident84.9Confident5 Ų535.5 Ų35.55%0.05219%0.193CC..Hα-helixtrans-72.4-38.817700000114.8M43 M48 G53 W56M43-G45 VanDerWaalsContact C-N 3.27Å; M43-G45 PolarHBondContact O-N 2.81Å; M43-G45 VanDerWaalsContact O-N 3.11Å; G45-M48 PolarHBondContact O-N 3.45Å; G45-G53 WeakPolarHBondContact O-CA 3.33Å; G45-G53 PolarHBondContact O-N 3.44Å; G45-W56 VanDerWaalsContact CA-CG 3.44Å
46G75.7Confident84.6Confident2 Ų239.2 Ų39.22%0.02121%0.206CC..Hα-helixtrans-71.2-29.7-179.200000113.4S39 M43 M48 G49S39-G46 WeakPolarHBondContact CA-O 3.5Å; S39-G46 VanDerWaalsContact CB-O 3.27Å; S39-G46 WeakPolarHBondContact CB-O 3.48Å; S39-G46 PolarHBondContact OG-O 2.94Å; M43-G46 PolarHBondContact O-N 2.85Å; G46-M48 VanDerWaalsContact C-N 3.29Å; G46-M48 PolarHBondContact O-N 3.29Å; G46-G49 PolarHBondContact O-N 3.49Å
47R77Confident84.4Confident86 Ų8638.6 Ų38.633%0.32520%0.203SC..Hα-helixtrans-64.7-33178-172.3-173.8165.5156.53.5112.3M43 G49 D248 I264 N265 H272M43-R47 PolarHBondContact O-N 3.36Å; R47-G49 PolarHBondContact O-N 2.89Å; R47-D248 IonicContact CZ-OD2 3.47Å; R47-D248 IonicContact NH1-OD1 3.91Å; R47-D248 PolarHBondContact NH1-OD1 3.39Å; R47-D248 VanDerWaalsContact NH1-OD1 3.14Å; R47-D248 IonicContact NH1-OD2 3.18Å; R47-D248 PolarHBondContact NH1-OD2 3.38Å; R47-I264 PolarHBondContact NH2-O 3.11Å; R47-N265 WeakPolarHBondContact CD-OD1 3.45Å; R47-N265 PolarHBondContact NE-OD1 2.96Å; R47-N265 PolarHBondContact NH1-OD1 3.42Å; R47-N265 PolarHBondContact NH2-OD1 2.79Å; R47-H272 VanDerWaalsContact CG-CE1 3.41Å; R47-H272 WeakPolarHBondContact CG-CE1 3.48Å
48M78.8Confident84.2Confident139 Ų13942.3 Ų42.369%0.68522%0.223SC*.THydrogen-bonded Turntrans-77.7-2.7-178.7-64.1-179.3178.600113.7G45 G46 M52G45-M48 PolarHBondContact O-N 3.45Å; G46-M48 VanDerWaalsContact C-N 3.29Å; G46-M48 PolarHBondContact O-N 3.29Å; M48-M52 HydrophobicContact CB-CB 4.02Å; M48-M52 HydrophobicContact CB-CG 3.94Å; M48-M52 HydrophobicContact SD-CG 4.27Å
49G84.4Confident84Confident28 Ų2850.7 Ų50.729%0.28925%0.254SS..  trans121.8168.5177.200000113.3G46 R47 V51 G53G46-G49 PolarHBondContact O-N 3.49Å; R47-G49 PolarHBondContact O-N 2.89Å; G49-V51 PolarHBondContact O-N 2.69Å; G49-G53 PolarHBondContact O-N 3.3Å
50T86.5Confident83.7Confident27 Ų2753.7 Ų53.717%0.16627%0.27CS..Hα-helixtrans-65.2-39.8-173-57.60000113.2L35 A54 A276L35-T50 HydrophobicContact CB-CG2 4.25Å; L35-T50 HydrophobicContact CD1-CG2 3.93Å; T50-A54 PolarHBondContact O-N 2.95Å; T50-A276 HydrophobicContact CG2-CB 3.88Å; T50-A276 PolarHBondContact OG1-N 3.33Å
51V89Confident83.3Confident127 Ų12754.8 Ų54.877%0.7728%0.275SS*.Hα-helixtrans-68.8-47.5179.4179.70000110.9G49 G53 A54 Y55G49-V51 PolarHBondContact O-N 2.69Å; V51-G53 VanDerWaalsContact C-N 3.32Å; V51-G53 PolarHBondContact O-N 2.86Å; V51-A54 WeakPolarHBondContact O-CB 3.36Å; V51-A54 PolarHBondContact O-N 2.89Å; V51-A54 VanDerWaalsContact O-N 3.17Å; V51-Y55 PolarHBondContact O-N 3.4Å
52M88.1Confident83.2Confident69 Ų6956 Ų5634%0.3429%0.289SS..Hα-helixtrans-64.5-39.3177.2-165.456.4-170.600111.1M48 A54 Y55 W56M48-M52 HydrophobicContact CB-CB 4.02Å; M48-M52 HydrophobicContact CB-CG 3.94Å; M48-M52 HydrophobicContact SD-CG 4.27Å; M52-A54 VanDerWaalsContact C-N 3.34Å; M52-A54 PolarHBondContact O-N 2.76Å; M52-Y55 HydrophobicContact CE-CD1 3.72Å; M52-Y55 HydrophobicContact CE-CE1 3.99Å; M52-Y55 WeakPolarHBondContact O-CB 3.45Å; M52-Y55 PolarHBondContact O-N 3.23Å; M52-Y55 HydrophobicContact SD-CD1 3.87Å; M52-W56 VanDerWaalsContact CE-NE1 3.33Å; M52-W56 VanDerWaalsContact O-CD1 3.24Å; M52-W56 PolarHBondContact O-N 2.87Å
53G86.7Confident83.4Confident2 Ų260.7 Ų60.72%0.02132%0.316CS..Hα-helixtrans-57-44.6171.700000112.7G45 G49 V51 Y55 W56 I57G45-G53 WeakPolarHBondContact O-CA 3.33Å; G45-G53 PolarHBondContact O-N 3.44Å; G49-G53 PolarHBondContact O-N 3.3Å; V51-G53 VanDerWaalsContact C-N 3.32Å; V51-G53 PolarHBondContact O-N 2.86Å; G53-Y55 PolarHBondContact O-N 3Å; G53-W56 PolarHBondContact O-N 3.32Å; G53-I57 WeakPolarHBondContact O-CG1 3.2Å; G53-I57 PolarHBondContact O-N 3.41Å
54A90.1Very high83.6Confident22 Ų2268.9 Ų68.918%0.18235%0.346CS..Hα-helixtrans-62.1-42.617600000112.3L35 T50 V51 M52 I57 L58 F66L35-A54 HydrophobicContact CD1-CB 4.36Å; L35-A54 HydrophobicContact CD2-CB 3.7Å; T50-A54 PolarHBondContact O-N 2.95Å; V51-A54 WeakPolarHBondContact O-CB 3.36Å; V51-A54 PolarHBondContact O-N 2.89Å; V51-A54 VanDerWaalsContact O-N 3.17Å; M52-A54 VanDerWaalsContact C-N 3.34Å; M52-A54 PolarHBondContact O-N 2.76Å; A54-I57 PolarHBondContact O-N 2.94Å; A54-L58 WeakPolarHBondContact O-CG 3.33Å; A54-L58 PolarHBondContact O-N 2.88Å; A54-F66 HydrophobicContact CB-CE1 4.17Å; A54-F66 HydrophobicContact CB-CZ 4.06Å
55Y90.2Very high84.1Confident100 Ų10065.4 Ų65.439%0.39232%0.324SS..Hα-helixtrans-62.5-41.5175.6177.4-105.6000112.7V51 M52 G53 L58 R59V51-Y55 PolarHBondContact O-N 3.4Å; M52-Y55 HydrophobicContact CE-CD1 3.72Å; M52-Y55 HydrophobicContact CE-CE1 3.99Å; M52-Y55 WeakPolarHBondContact O-CB 3.45Å; M52-Y55 PolarHBondContact O-N 3.23Å; M52-Y55 HydrophobicContact SD-CD1 3.87Å; G53-Y55 PolarHBondContact O-N 3Å; Y55-L58 PolarHBondContact O-N 3.46Å; Y55-R59 HydrophobicContact CE1-CG 4.44Å; Y55-R59 HydrophobicContact CE2-CG 4.41Å; Y55-R59 PolarHBondContact O-N 3.49Å; Y55-R59 PolarHBondContact OH-NE 2.91Å; Y55-R59 PolarHBondContact OH-NH1 3.22Å; Y55-R59 PolarHBondContact OH-NH2 3.16Å
56W85Confident84.9Confident93 Ų9366.4 Ų66.435%0.35233%0.327SS..Hα-helixtrans-62.6-42.2174.6-89.792.2000112.5G45 M52 G53 R59 L60G45-W56 VanDerWaalsContact CA-CG 3.44Å; M52-W56 VanDerWaalsContact CE-NE1 3.33Å; M52-W56 VanDerWaalsContact O-CD1 3.24Å; M52-W56 PolarHBondContact O-N 2.87Å; G53-W56 PolarHBondContact O-N 3.32Å; W56-R59 PolarHBondContact O-N 3.16Å; W56-L60 HydrophobicContact CE3-CD1 3.69Å; W56-L60 HydrophobicContact CE3-CG 4.15Å; W56-L60 HydrophobicContact CZ3-CD1 4.08Å; W56-L60 WeakPolarHBondContact O-CB 3.28Å; W56-L60 WeakPolarHBondContact O-CG 3.26Å; W56-L60 PolarHBondContact O-N 2.97Å
57I86.5Confident85.5Confident1 Ų170.8 Ų70.81%0.00535%0.346CS..Hα-helixtrans-60.9-47.8174.3-65.1168.2000110.3V34 L35 Q38 G53 A54 R59 L60 D61 G62 F66V34-I57 HydrophobicContact CG1-CD1 3.76Å; L35-I57 HydrophobicContact CD2-CD1 3.63Å; L35-I57 HydrophobicContact CG-CD1 4.37Å; Q38-I57 VanDerWaalsContact OE1-CD1 3.23Å; G53-I57 WeakPolarHBondContact O-CG1 3.2Å; G53-I57 PolarHBondContact O-N 3.41Å; A54-I57 PolarHBondContact O-N 2.94Å; I57-R59 VanDerWaalsContact C-N 3.28Å; I57-R59 PolarHBondContact O-N 3.34Å; I57-L60 PolarHBondContact O-N 2.93Å; I57-D61 HydrophobicContact CG2-CB 4.39Å; I57-D61 WeakPolarHBondContact O-CA 3.48Å; I57-D61 WeakPolarHBondContact O-CB 3.47Å; I57-D61 PolarHBondContact O-N 3.49Å; I57-G62 PolarHBondContact O-N 2.86Å; I57-G62 VanDerWaalsContact O-N 3.15Å; I57-F66 HydrophobicContact CB-CE1 4.46Å; I57-F66 HydrophobicContact CB-CE2 4.18Å; I57-F66 HydrophobicContact CB-CZ 4.02Å; I57-F66 HydrophobicContact CD1-CD1 4.31Å; I57-F66 HydrophobicContact CD1-CE1 3.99Å; I57-F66 HydrophobicContact CD1-CZ 4.38Å; I57-F66 HydrophobicContact CG2-CD1 4.5Å; I57-F66 HydrophobicContact CG2-CD2 3.88Å; I57-F66 HydrophobicContact CG2-CE1 4.36Å; I57-F66 HydrophobicContact CG2-CE2 3.69Å; I57-F66 HydrophobicContact CG2-CG 4.28Å; I57-F66 HydrophobicContact CG2-CZ 3.97Å
58L87.1Confident85.9Confident87 Ų8767.3 Ų67.346%0.45533%0.333SS..Hα-helixtrans-60-39.4179.6-75.4169.5000112.1A54 Y55 G62 V63 F66A54-L58 WeakPolarHBondContact O-CG 3.33Å; A54-L58 PolarHBondContact O-N 2.88Å; Y55-L58 PolarHBondContact O-N 3.46Å; L58-G62 VanDerWaalsContact O-CA 3.23Å; L58-G62 WeakPolarHBondContact O-CA 3.07Å; L58-G62 PolarHBondContact O-N 2.95Å; L58-V63 HydrophobicContact CD2-CG2 4.2Å; L58-F66 HydrophobicContact CD2-CD2 4.49Å; L58-F66 HydrophobicContact CD2-CE2 3.58Å; L58-F66 HydrophobicContact CD2-CZ 4.36Å; L58-F66 HydrophobicContact CG-CE2 3.67Å; L58-F66 HydrophobicContact CG-CZ 4Å
59R85.2Confident86.4Confident182 Ų18261 Ų6169%0.68730%0.302SS*.Hα-helixtrans-74.4-37.8179.5-78.2-165.4164.1-162-4.5114.1Y55 W56 I57Y55-R59 HydrophobicContact CE1-CG 4.44Å; Y55-R59 HydrophobicContact CE2-CG 4.41Å; Y55-R59 PolarHBondContact O-N 3.49Å; Y55-R59 PolarHBondContact OH-NE 2.91Å; Y55-R59 PolarHBondContact OH-NH1 3.22Å; Y55-R59 PolarHBondContact OH-NH2 3.16Å; W56-R59 PolarHBondContact O-N 3.16Å; I57-R59 VanDerWaalsContact C-N 3.28Å; I57-R59 PolarHBondContact O-N 3.34Å
60L81.9Confident86.7Confident66 Ų6661.5 Ų61.535%0.34630%0.298SS..Hα-helixtrans-90-41.7-175.9-68.4178.8000113.5W56 I57W56-L60 HydrophobicContact CE3-CD1 3.69Å; W56-L60 HydrophobicContact CE3-CG 4.15Å; W56-L60 HydrophobicContact CZ3-CD1 4.08Å; W56-L60 WeakPolarHBondContact O-CB 3.28Å; W56-L60 WeakPolarHBondContact O-CG 3.26Å; W56-L60 PolarHBondContact O-N 2.97Å; I57-L60 PolarHBondContact O-N 2.93Å
61D81.2Confident86.9Confident23 Ų2363.5 Ų63.512%0.12331%0.312CS..THydrogen-bonded Turntrans-114.5-11.5-171.9-62.8-41.7000113.3I57 K68 A139I57-D61 HydrophobicContact CG2-CB 4.39Å; I57-D61 WeakPolarHBondContact O-CA 3.48Å; I57-D61 WeakPolarHBondContact O-CB 3.47Å; I57-D61 PolarHBondContact O-N 3.49Å; D61-K68 VanDerWaalsContact CG-CE 3.47Å; D61-K68 IonicContact OD1-NZ 3.72Å; D61-K68 PolarHBondContact OD1-NZ 3.42Å; D61-K68 WeakPolarHBondContact OD2-CE 3.19Å; D61-K68 IonicContact OD2-NZ 2.74Å; D61-K68 PolarHBondContact OD2-NZ 3.49Å; D61-A139 WeakPolarHBondContact OD1-CB 3.29Å; D61-A139 PolarHBondContact OD1-N 3.4Å
62G85Confident87Confident27 Ų2757.5 Ų57.528%0.27828%0.275SS..  trans64.7-162.6-168.600000112.9I57 L58 R64 G65I57-G62 PolarHBondContact O-N 2.86Å; I57-G62 VanDerWaalsContact O-N 3.15Å; L58-G62 VanDerWaalsContact O-CA 3.23Å; L58-G62 WeakPolarHBondContact O-CA 3.07Å; L58-G62 PolarHBondContact O-N 2.95Å; G62-R64 PolarHBondContact O-N 3.44Å; G62-G65 PolarHBondContact O-N 3.42Å; G62-G65 VanDerWaalsContact O-N 3.08Å
63V86.3Confident87.1Confident101 Ų10154.2 Ų54.261%0.61226%0.259SS*.G310 helixtrans-62.4-29.2-178.9-177.40000112.1L58 G65 F66L58-V63 HydrophobicContact CD2-CG2 4.2Å; V63-G65 PolarHBondContact O-N 3.35Å; V63-F66 PolarHBondContact O-N 3.24Å
64R84.6Confident87.3Confident187 Ų18755.9 Ų55.971%0.70627%0.269SS*.G310 helixtrans-64.9-24.2177.7-66.2-178-178.7174.51.9112.4G62 F66 F67 K68G62-R64 PolarHBondContact O-N 3.44Å; R64-F66 VanDerWaalsContact C-N 3.28Å; R64-F66 PolarHBondContact O-N 3.27Å; R64-F67 PolarHBondContact O-N 2.76Å; R64-F67 VanDerWaalsContact O-N 3.1Å; R64-K68 PolarHBondContact O-N 3.16Å
65G84.7Confident87.4Confident0 Ų058.1 Ų58.10%028%0.28CS..G310 helixtrans-56.1-37.9175.600000113.9G62 V63 F67 K68G62-G65 PolarHBondContact O-N 3.42Å; G62-G65 VanDerWaalsContact O-N 3.08Å; V63-G65 PolarHBondContact O-N 3.35Å; G65-F67 PolarHBondContact O-N 2.94Å; G65-K68 WeakPolarHBondContact O-CB 3.37Å; G65-K68 WeakPolarHBondContact O-CG 3.42Å; G65-K68 PolarHBondContact O-N 3.48Å
66F88.2Confident87.4Confident25 Ų2555.6 Ų55.611%0.1127%0.27CS..G310 helixtrans-69-17.5179.4-66.7-84.4000114.1H30 P31 V34 L35 A54 I57 L58 V63 R64H30-F66 PolarHBondContact ND1-O 3.41Å; P31-F66 HydrophobicContact CB-CB 4.06Å; P31-F66 HydrophobicContact CB-CD1 3.94Å; P31-F66 HydrophobicContact CB-CG 4.37Å; P31-F66 HydrophobicContact CG-CB 4.34Å; V34-F66 WeakPolarHBondContact CG2-O 3.37Å; L35-F66 HydrophobicContact CD1-CE1 4.29Å; L35-F66 HydrophobicContact CD2-CE1 4.1Å; L35-F66 HydrophobicContact CG-CE1 4.2Å; A54-F66 HydrophobicContact CB-CE1 4.17Å; A54-F66 HydrophobicContact CB-CZ 4.06Å; I57-F66 HydrophobicContact CB-CE1 4.46Å; I57-F66 HydrophobicContact CB-CE2 4.18Å; I57-F66 HydrophobicContact CB-CZ 4.02Å; I57-F66 HydrophobicContact CD1-CD1 4.31Å; I57-F66 HydrophobicContact CD1-CE1 3.99Å; I57-F66 HydrophobicContact CD1-CZ 4.38Å; I57-F66 HydrophobicContact CG2-CD1 4.5Å; I57-F66 HydrophobicContact CG2-CD2 3.88Å; I57-F66 HydrophobicContact CG2-CE1 4.36Å; I57-F66 HydrophobicContact CG2-CE2 3.69Å; I57-F66 HydrophobicContact CG2-CG 4.28Å; I57-F66 HydrophobicContact CG2-CZ 3.97Å; L58-F66 HydrophobicContact CD2-CD2 4.49Å; L58-F66 HydrophobicContact CD2-CE2 3.58Å; L58-F66 HydrophobicContact CD2-CZ 4.36Å; L58-F66 HydrophobicContact CG-CE2 3.67Å; L58-F66 HydrophobicContact CG-CZ 4Å; V63-F66 PolarHBondContact O-N 3.24Å; R64-F66 VanDerWaalsContact C-N 3.28Å; R64-F66 PolarHBondContact O-N 3.27Å
67F89.5Confident87.6Confident95 Ų9551.8 Ų51.842%0.41726%0.256SS..G310 helixtrans-109.48.7-179-62.2-80.3000112.9P31 R64 G65 A69 L70P31-F67 HydrophobicContact CG-CE1 4.36Å; P31-F67 HydrophobicContact CG-CZ 4.29Å; R64-F67 PolarHBondContact O-N 2.76Å; R64-F67 VanDerWaalsContact O-N 3.1Å; G65-F67 PolarHBondContact O-N 2.94Å; F67-A69 PolarHBondContact O-N 3.37Å; F67-L70 HydrophobicContact CD1-CD2 4.15Å; F67-L70 VanDerWaalsContact O-CB 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.3Å; F67-L70 PolarHBondContact O-N 3.47Å; F67-L70 VanDerWaalsContact O-N 3.12Å
68K85.6Confident87.8Confident13 Ų1354.8 Ų54.86%0.05727%0.27CS..THydrogen-bonded Turntrans-56.2132.3173-78.5-179.4172-176.10111.4H30 D61 R64 G65 L70 I135 C137H30-K68 PolarHBondContact CE1-O 3.48Å; D61-K68 VanDerWaalsContact CG-CE 3.47Å; D61-K68 IonicContact OD1-NZ 3.72Å; D61-K68 PolarHBondContact OD1-NZ 3.42Å; D61-K68 WeakPolarHBondContact OD2-CE 3.19Å; D61-K68 IonicContact OD2-NZ 2.74Å; D61-K68 PolarHBondContact OD2-NZ 3.49Å; R64-K68 PolarHBondContact O-N 3.16Å; G65-K68 WeakPolarHBondContact O-CB 3.37Å; G65-K68 WeakPolarHBondContact O-CG 3.42Å; G65-K68 PolarHBondContact O-N 3.48Å; K68-L70 PolarHBondContact O-N 3.4Å; K68-I135 HydrophobicContact CB-CG1 4.41Å; K68-C137 PolarHBondContact NZ-O 2.82Å
69A88.4Confident87.9Confident5 Ų553.2 Ų53.24%0.04127%0.265CS..THydrogen-bonded Turntrans60.418.6-177.100000115.7F67 V72 S73 K131 T134 I135F67-A69 PolarHBondContact O-N 3.37Å; A69-V72 HydrophobicContact CB-CB 4.36Å; A69-V72 HydrophobicContact CB-CG2 4.28Å; A69-V72 PolarHBondContact O-N 2.93Å; A69-S73 WeakPolarHBondContact O-CB 3.29Å; A69-S73 PolarHBondContact O-N 3.44Å; A69-K131 HydrophobicContact CB-CB 4.35Å; A69-K131 HydrophobicContact CB-CG 4.07Å; A69-T134 HydrophobicContact CB-CG2 3.79Å; A69-I135 HydrophobicContact CB-CG1 4.35Å
70L90.8Very high88.1Confident39 Ų3945.3 Ų45.320%0.20424%0.235CC..Hα-helixtrans-54.8-46.1170.9175.366.5000112.2A27 H30 F67 K68 V72 S73 V74A27-L70 HydrophobicContact CB-CD1 4.2Å; H30-L70 HydrophobicContact CB-CD1 3.98Å; H30-L70 VanDerWaalsContact CD2-CD1 3.47Å; H30-L70 WeakPolarHBondContact CD2-CD1 3.42Å; F67-L70 HydrophobicContact CD1-CD2 4.15Å; F67-L70 VanDerWaalsContact O-CB 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.3Å; F67-L70 PolarHBondContact O-N 3.47Å; F67-L70 VanDerWaalsContact O-N 3.12Å; K68-L70 PolarHBondContact O-N 3.4Å; L70-V72 PolarHBondContact O-N 2.86Å; L70-S73 CarbonylContact O-C 3.58Å; L70-S73 WeakPolarHBondContact O-CA 3.5Å; L70-S73 WeakPolarHBondContact O-CB 3.25Å; L70-S73 PolarHBondContact O-N 2.8Å; L70-V74 HydrophobicContact CD1-CG2 4.1Å; L70-V74 HydrophobicContact CG-CG2 4.45Å; L70-V74 WeakPolarHBondContact O-CG2 3.26Å; L70-V74 PolarHBondContact O-N 2.85Å
71P90.5Very high88.3Confident69 Ų6943.3 Ų43.345%0.44823%0.226SC..Hα-helixtrans-58.8-45.6178.3-25.635.4000113S73 V74 V75P71-S73 PolarHBondContact O-N 3.29Å; P71-V74 PolarHBondContact O-N 2.69Å; P71-V74 VanDerWaalsContact O-N 3.12Å; P71-V75 WeakPolarHBondContact O-CG2 3.43Å; P71-V75 PolarHBondContact O-N 3.49Å
72V91.1Very high88.5Confident1 Ų143.3 Ų43.31%0.00623%0.231CC..Hα-helixtrans-57-43.5174.7-174.30000110.4A69 L70 V74 V75 R76 L127 V130 K131 W150A69-V72 HydrophobicContact CB-CB 4.36Å; A69-V72 HydrophobicContact CB-CG2 4.28Å; A69-V72 PolarHBondContact O-N 2.93Å; L70-V72 PolarHBondContact O-N 2.86Å; V72-V74 VanDerWaalsContact C-N 3.28Å; V72-V74 PolarHBondContact O-N 3.17Å; V72-V75 PolarHBondContact O-N 2.94Å; V72-R76 WeakPolarHBondContact O-CB 3.49Å; V72-R76 PolarHBondContact O-N 3.15Å; V72-L127 HydrophobicContact CG1-CB 4.03Å; V72-L127 HydrophobicContact CG1-CD2 4.17Å; V72-L127 VanDerWaalsContact CG1-O 3.3Å; V72-L127 WeakPolarHBondContact CG1-O 3.26Å; V72-V130 HydrophobicContact CG1-CB 4.48Å; V72-V130 HydrophobicContact CG1-CG1 4.42Å; V72-V130 HydrophobicContact CG2-CG1 4.16Å; V72-K131 HydrophobicContact CG1-CB 4.07Å; V72-W150 HydrophobicContact CG2-CB 3.15Å; V72-W150 HydrophobicContact CG2-CD2 3.6Å; V72-W150 HydrophobicContact CG2-CE3 3.97Å; V72-W150 HydrophobicContact CG2-CG 3.25Å
73S90.3Very high88.6Confident0 Ų043.5 Ų43.50%023%0.226CC..Hα-helixtrans-66.7-29.2-178.9-163.70000113.5R26 A69 L70 P71 I77 K131R26-S73 WeakPolarHBondContact CG-OG 3.45Å; R26-S73 PolarHBondContact NE-OG 2.89Å; A69-S73 WeakPolarHBondContact O-CB 3.29Å; A69-S73 PolarHBondContact O-N 3.44Å; L70-S73 CarbonylContact O-C 3.58Å; L70-S73 WeakPolarHBondContact O-CA 3.5Å; L70-S73 WeakPolarHBondContact O-CB 3.25Å; L70-S73 PolarHBondContact O-N 2.8Å; P71-S73 PolarHBondContact O-N 3.29Å; S73-I77 WeakPolarHBondContact O-CG1 3.39Å; S73-K131 PolarHBondContact OG-NZ 3.28Å
74V92Very high88.5Confident37 Ų3741 Ų4122%0.22421%0.207CC..Hα-helixtrans-80.5-48.5175.6169.60000110.4A23 L70 P71 V72 R76 I77 F78A23-V74 HydrophobicContact CB-CG1 3.74Å; A23-V74 HydrophobicContact CB-CG2 4.34Å; L70-V74 HydrophobicContact CD1-CG2 4.1Å; L70-V74 HydrophobicContact CG-CG2 4.45Å; L70-V74 WeakPolarHBondContact O-CG2 3.26Å; L70-V74 PolarHBondContact O-N 2.85Å; P71-V74 PolarHBondContact O-N 2.69Å; P71-V74 VanDerWaalsContact O-N 3.12Å; V72-V74 VanDerWaalsContact C-N 3.28Å; V72-V74 PolarHBondContact O-N 3.17Å; V74-R76 PolarHBondContact O-N 3.01Å; V74-I77 VanDerWaalsContact O-CB 3.3Å; V74-I77 WeakPolarHBondContact O-CB 3.46Å; V74-I77 PolarHBondContact O-N 3.46Å; V74-F78 HydrophobicContact CG1-CE2 4.3Å
75V91.5Very high88.3Confident69 Ų6937.9 Ų37.942%0.41820%0.196SC..Hα-helixtrans-54-43.9177.5168.80000110.6P71 V72 I77 F78 P79 L127P71-V75 WeakPolarHBondContact O-CG2 3.43Å; P71-V75 PolarHBondContact O-N 3.49Å; V72-V75 PolarHBondContact O-N 2.94Å; V75-I77 PolarHBondContact O-N 3.46Å; V75-I77 VanDerWaalsContact O-N 3.09Å; V75-F78 PolarHBondContact O-N 3.28Å; V75-P79 WeakPolarHBondContact O-CD 3Å; V75-L127 HydrophobicContact CG1-CD1 4.39Å
76R90.8Very high88.4Confident47 Ų4740.6 Ų40.618%0.17722%0.219CC..THydrogen-bonded Turntrans-56.7-26.8178.7-167-169.168.6100.116.8114.3V72 V74 Q80 T124 L127 D128V72-R76 WeakPolarHBondContact O-CB 3.49Å; V72-R76 PolarHBondContact O-N 3.15Å; V74-R76 PolarHBondContact O-N 3.01Å; R76-Q80 VanDerWaalsContact O-CB 3.23Å; R76-Q80 WeakPolarHBondContact O-CB 3.39Å; R76-Q80 PolarHBondContact O-N 3.47Å; R76-Q80 VanDerWaalsContact O-N 3.16Å; R76-T124 HydrophobicContact CG-CG2 4.32Å; R76-L127 HydrophobicContact CB-CB 4.17Å; R76-L127 HydrophobicContact CB-CD1 3.81Å; R76-L127 HydrophobicContact CG-CB 4Å; R76-L127 HydrophobicContact CG-CD1 3.97Å; R76-D128 WeakPolarHBondContact CD-OD1 3.28Å; R76-D128 IonicContact CZ-OD1 2.79Å; R76-D128 IonicContact NE-OD1 3.78Å; R76-D128 PolarHBondContact NE-OD1 2.76Å; R76-D128 IonicContact NH1-OD1 2.71Å; R76-D128 PolarHBondContact NH1-OD1 2.95Å; R76-D128 IonicContact NH1-OD2 3.02Å
77I89.1Confident88.1Confident13 Ų1341.3 Ų41.37%0.06722%0.223CC..Hα-helixtrans-67.5-40.2-176-60.7175.4000110.7G22 A23 R26 S73 V74 V75 Q80 V81G22-I77 VanDerWaalsContact O-CD1 3.24Å; G22-I77 WeakPolarHBondContact O-CD1 3.31Å; A23-I77 HydrophobicContact CB-CD1 4.46Å; R26-I77 HydrophobicContact CB-CD1 3.66Å; R26-I77 HydrophobicContact CG-CD1 4.11Å; S73-I77 WeakPolarHBondContact O-CG1 3.39Å; V74-I77 VanDerWaalsContact O-CB 3.3Å; V74-I77 WeakPolarHBondContact O-CB 3.46Å; V74-I77 PolarHBondContact O-N 3.46Å; V75-I77 PolarHBondContact O-N 3.46Å; V75-I77 VanDerWaalsContact O-N 3.09Å; I77-Q80 PolarHBondContact O-N 2.99Å; I77-V81 HydrophobicContact CG2-CG2 3.89Å; I77-V81 VanDerWaalsContact O-CB 3.29Å; I77-V81 WeakPolarHBondContact O-CB 3.46Å; I77-V81 WeakPolarHBondContact O-CG2 3.38Å; I77-V81 PolarHBondContact O-N 3.02Å
78F89.9Confident87.6Confident65 Ų6541.1 Ų41.129%0.28522%0.222SC..Hα-helixtrans-65.7-51.3-176-66.4-88.5000112.3F15 V74 V75 Q80 V81 G82F15-F78 HydrophobicContact CE1-CD1 4.17Å; F15-F78 WeakPolarHBondContact CE2-O 3.5Å; F15-F78 HydrophobicContact CZ-CB 4.14Å; F15-F78 HydrophobicContact CZ-CD1 4.02Å; F15-F78 WeakPolarHBondContact CZ-O 3.45Å; V74-F78 HydrophobicContact CG1-CE2 4.3Å; V75-F78 PolarHBondContact O-N 3.28Å; F78-Q80 VanDerWaalsContact C-N 3.34Å; F78-Q80 PolarHBondContact O-N 2.94Å; F78-V81 PolarHBondContact O-N 3.43Å; F78-G82 PolarHBondContact O-N 3.37Å
79P90.4Very high87.2Confident54 Ų5446 Ų4635%0.35125%0.245SC..Hα-helixtrans-59.9-43.4172.4-24.234.8000112.1V75 V81 G82 I83 T124V75-P79 WeakPolarHBondContact O-CD 3Å; P79-V81 PolarHBondContact O-N 2.97Å; P79-G82 PolarHBondContact O-N 2.95Å; P79-I83 HydrophobicContact CB-CD1 4.31Å; P79-I83 WeakPolarHBondContact O-CB 3.11Å; P79-I83 VanDerWaalsContact O-CD1 3.26Å; P79-I83 WeakPolarHBondContact O-CD1 3.28Å; P79-I83 WeakPolarHBondContact O-CG1 3.26Å; P79-I83 PolarHBondContact O-N 3.25Å; P79-T124 HydrophobicContact CB-CG2 3.89Å
80Q88.3Confident86.8Confident16 Ų1650.7 Ų50.78%0.07527%0.266CS..Hα-helixtrans-57.7-51.8-179.5-174.37826.300111.7R76 I77 F78 Q84 T124R76-Q80 VanDerWaalsContact O-CB 3.23Å; R76-Q80 WeakPolarHBondContact O-CB 3.39Å; R76-Q80 PolarHBondContact O-N 3.47Å; R76-Q80 VanDerWaalsContact O-N 3.16Å; I77-Q80 PolarHBondContact O-N 2.99Å; F78-Q80 VanDerWaalsContact C-N 3.34Å; F78-Q80 PolarHBondContact O-N 2.94Å; Q80-Q84 WeakPolarHBondContact O-CB 3.34Å; Q80-Q84 VanDerWaalsContact O-CG 3.27Å; Q80-Q84 WeakPolarHBondContact O-CG 3.32Å; Q80-Q84 PolarHBondContact O-N 3.27Å; Q80-Q84 VanDerWaalsContact O-N 3.16Å; Q80-T124 HydrophobicContact CB-CG2 4.3Å; Q80-T124 PolarHBondContact OE1-OG1 3.48Å
81V85.5Confident86Confident24 Ų2451.3 Ų51.315%0.14527%0.266CS..Hα-helixtrans-65.8-42-179.3171.70000109.9F15 A18 I77 F78 P79 Q84 Y85F15-V81 HydrophobicContact CD2-CG1 3.9Å; F15-V81 HydrophobicContact CE2-CB 4.21Å; F15-V81 HydrophobicContact CE2-CG1 4.03Å; A18-V81 HydrophobicContact CB-CG1 3.88Å; I77-V81 HydrophobicContact CG2-CG2 3.89Å; I77-V81 VanDerWaalsContact O-CB 3.29Å; I77-V81 WeakPolarHBondContact O-CB 3.46Å; I77-V81 WeakPolarHBondContact O-CG2 3.38Å; I77-V81 PolarHBondContact O-N 3.02Å; F78-V81 PolarHBondContact O-N 3.43Å; P79-V81 PolarHBondContact O-N 2.97Å; V81-Q84 PolarHBondContact O-N 3.18Å; V81-Y85 HydrophobicContact CG1-CD2 3.5Å; V81-Y85 HydrophobicContact CG1-CE2 3.38Å; V81-Y85 WeakPolarHBondContact O-CD2 3.45Å; V81-Y85 PolarHBondContact O-N 3.32Å
82G86.5Confident85.2Confident23 Ų2351.1 Ų51.124%0.23727%0.27CS..Hα-helixtrans-66.6-45.1-176.800000112.5F15 F78 P79 Y85 A86F15-G82 VanDerWaalsContact CE2-CA 3.45Å; F78-G82 PolarHBondContact O-N 3.37Å; P79-G82 PolarHBondContact O-N 2.95Å; G82-Y85 PolarHBondContact O-N 3.46Å; G82-A86 WeakPolarHBondContact O-CB 3.32Å; G82-A86 PolarHBondContact O-N 2.86Å
83I87.2Confident84.5Confident31 Ų3157.2 Ų57.216%0.15930%0.297CS..Hα-helixtrans-63.8-43.6177.1-65.8158.5000110.3P79 A86 I87 I119 A120 L123P79-I83 HydrophobicContact CB-CD1 4.31Å; P79-I83 WeakPolarHBondContact O-CB 3.11Å; P79-I83 VanDerWaalsContact O-CD1 3.26Å; P79-I83 WeakPolarHBondContact O-CD1 3.28Å; P79-I83 WeakPolarHBondContact O-CG1 3.26Å; P79-I83 PolarHBondContact O-N 3.25Å; I83-A86 PolarHBondContact O-N 3.02Å; I83-I87 HydrophobicContact CG2-CD1 3.59Å; I83-I87 HydrophobicContact CG2-CG1 4.29Å; I83-I87 VanDerWaalsContact O-CG1 3.28Å; I83-I87 WeakPolarHBondContact O-CG1 3.33Å; I83-I87 PolarHBondContact O-N 2.61Å; I83-I119 HydrophobicContact CG2-CG2 4.21Å; I83-A120 HydrophobicContact CB-CB 4.11Å; I83-A120 HydrophobicContact CG2-CB 3.83Å; I83-L123 HydrophobicContact CD1-CB 3.67Å; I83-L123 HydrophobicContact CD1-CD1 3.5Å; I83-L123 HydrophobicContact CD1-CG 4.21Å; I83-L123 HydrophobicContact CG1-CD1 4.04Å; I83-L123 HydrophobicContact CG2-CD1 4.48Å
84Q83Confident83.6Confident47 Ų4762.1 Ų62.122%0.2233%0.327CS..Hα-helixtrans-61-47.3176.4-73.6178.40.300111Q80 V81 A86 I87 F88 A120Q80-Q84 WeakPolarHBondContact O-CB 3.34Å; Q80-Q84 VanDerWaalsContact O-CG 3.27Å; Q80-Q84 WeakPolarHBondContact O-CG 3.32Å; Q80-Q84 PolarHBondContact O-N 3.27Å; Q80-Q84 VanDerWaalsContact O-N 3.16Å; V81-Q84 PolarHBondContact O-N 3.18Å; Q84-A86 VanDerWaalsContact C-N 3.35Å; Q84-A86 PolarHBondContact O-N 3.4Å; Q84-I87 PolarHBondContact O-N 3.35Å; Q84-F88 HydrophobicContact CB-CD2 4.42Å; Q84-F88 WeakPolarHBondContact O-CB 3.47Å; Q84-F88 WeakPolarHBondContact O-CD2 3.26Å; Q84-F88 PolarHBondContact O-N 3.32Å; Q84-A120 HydrophobicContact CG-CB 4.05Å
85Y82Confident82.4Confident122 Ų12262 Ų6248%0.47833%0.326SS..Hα-helixtrans-58.3-44175.3-86.6-65.8000112.6F15 A18 V81 G82 F88 H89F15-Y85 HydrophobicContact CD2-CD2 4.28Å; A18-Y85 HydrophobicContact CB-CE2 4.14Å; V81-Y85 HydrophobicContact CG1-CD2 3.5Å; V81-Y85 HydrophobicContact CG1-CE2 3.38Å; V81-Y85 WeakPolarHBondContact O-CD2 3.45Å; V81-Y85 PolarHBondContact O-N 3.32Å; G82-Y85 PolarHBondContact O-N 3.46Å; Y85-F88 PolarHBondContact O-N 3.41Å; Y85-H89 VanDerWaalsContact O-CB 3.27Å; Y85-H89 WeakPolarHBondContact O-CB 3.27Å; Y85-H89 PolarHBondContact O-N 2.89Å
86A84.9Confident80.8Confident57 Ų5767 Ų6747%0.47134%0.342SS..Hα-helixtrans-61.8-46.917900000111.9G82 I83 Q84 H89 E90G82-A86 WeakPolarHBondContact O-CB 3.32Å; G82-A86 PolarHBondContact O-N 2.86Å; I83-A86 PolarHBondContact O-N 3.02Å; Q84-A86 VanDerWaalsContact C-N 3.35Å; Q84-A86 PolarHBondContact O-N 3.4Å; A86-H89 PolarHBondContact O-N 2.99Å; A86-E90 PolarHBondContact O-N 3.29Å
87I83.1Confident79.3Confident40 Ų4071.1 Ų71.121%0.20538%0.375CS..Hα-helixtrans-68.4-40.7-179.3-61.9169.1000110.9I83 Q84 H89 E90 Y91 A116 I119I83-I87 HydrophobicContact CG2-CD1 3.59Å; I83-I87 HydrophobicContact CG2-CG1 4.29Å; I83-I87 VanDerWaalsContact O-CG1 3.28Å; I83-I87 WeakPolarHBondContact O-CG1 3.33Å; I83-I87 PolarHBondContact O-N 2.61Å; Q84-I87 PolarHBondContact O-N 3.35Å; I87-H89 VanDerWaalsContact C-N 3.31Å; I87-H89 PolarHBondContact O-N 3.34Å; I87-E90 PolarHBondContact O-N 3.25Å; I87-Y91 VanDerWaalsContact O-CB 3.31Å; I87-Y91 WeakPolarHBondContact O-CB 3.36Å; I87-Y91 PolarHBondContact O-N 2.9Å; I87-A116 HydrophobicContact CB-CB 3.86Å; I87-A116 HydrophobicContact CD1-CB 4.11Å; I87-A116 HydrophobicContact CG2-CB 3.45Å; I87-A116 VanDerWaalsContact CG2-CB 3.45Å; I87-I119 HydrophobicContact CD1-CB 3.73Å; I87-I119 HydrophobicContact CD1-CD1 3.99Å; I87-I119 HydrophobicContact CD1-CG1 4.45Å; I87-I119 HydrophobicContact CD1-CG2 3.78Å
88F77.9Confident77.5Confident92 Ų9278.1 Ų78.140%0.40441%0.411SS..Hα-helixtrans-65.2-35.7175.2-83.4-65.1000112.4Q84 Y85 Y91 A92 A116Q84-F88 HydrophobicContact CB-CD2 4.42Å; Q84-F88 WeakPolarHBondContact O-CB 3.47Å; Q84-F88 WeakPolarHBondContact O-CD2 3.26Å; Q84-F88 PolarHBondContact O-N 3.32Å; Y85-F88 PolarHBondContact O-N 3.41Å; F88-Y91 PolarHBondContact O-N 3.24Å; F88-A92 VanDerWaalsContact O-CB 3.26Å; F88-A92 WeakPolarHBondContact O-CB 3.29Å; F88-A92 PolarHBondContact O-N 3.47Å; F88-A116 HydrophobicContact CE2-CB 4.46Å
89H78.7Confident75.9Confident116 Ų11678.9 Ų78.954%0.53742%0.416SS..Hα-helixtrans-64.7-44.6175.4-175.7-100.9000111.6Y85 A86 I87 A92 K93Y85-H89 VanDerWaalsContact O-CB 3.27Å; Y85-H89 WeakPolarHBondContact O-CB 3.27Å; Y85-H89 PolarHBondContact O-N 2.89Å; A86-H89 PolarHBondContact O-N 2.99Å; I87-H89 VanDerWaalsContact C-N 3.31Å; I87-H89 PolarHBondContact O-N 3.34Å; H89-A92 PolarHBondContact O-N 2.63Å; H89-K93 WeakPolarHBondContact CE1-CE 3.12Å; H89-K93 WeakPolarHBondContact ND1-CE 3.32Å; H89-K93 PolarHBondContact O-N 3.42Å
90E78.5Confident74.4Confident103 Ų10384.1 Ų84.148%0.48143%0.433SS..Hα-helixtrans-65.9-41.6174.4-67.2-48.8134.100112.2A86 I87 A92 K93 T94A86-E90 PolarHBondContact O-N 3.29Å; I87-E90 PolarHBondContact O-N 3.25Å; E90-A92 VanDerWaalsContact C-N 3.34Å; E90-A92 PolarHBondContact O-N 2.97Å; E90-K93 VanDerWaalsContact CD-NZ 3.26Å; E90-K93 PolarHBondContact O-N 3.06Å; E90-K93 IonicContact OE1-NZ 2.91Å; E90-K93 PolarHBondContact OE1-NZ 3.22Å; E90-K93 IonicContact OE2-NZ 3.59Å; E90-K93 PolarHBondContact OE2-NZ 2.89Å; E90-T94 PolarHBondContact O-N 3.05Å
91Y74.3Confident73Confident51 Ų5189.4 Ų89.420%0.247%0.468CS..Hα-helixtrans-60.7-43175.9-179.7-110.2000112.2I87 F88 K93 T94 V95 K108 T109 A112I87-Y91 VanDerWaalsContact O-CB 3.31Å; I87-Y91 WeakPolarHBondContact O-CB 3.36Å; I87-Y91 PolarHBondContact O-N 2.9Å; F88-Y91 PolarHBondContact O-N 3.24Å; Y91-K93 PolarHBondContact O-N 2.85Å; Y91-T94 PolarHBondContact O-N 2.99Å; Y91-T94 PolarHBondContact O-OG1 3.46Å; Y91-V95 HydrophobicContact CD1-CG2 4.12Å; Y91-V95 HydrophobicContact CD2-CG2 4.18Å; Y91-V95 HydrophobicContact CE1-CG2 3.59Å; Y91-V95 HydrophobicContact CE2-CG2 3.64Å; Y91-V95 HydrophobicContact CG-CG2 4.4Å; Y91-V95 PolarHBondContact O-N 3.38Å; Y91-V95 VanDerWaalsContact O-N 3.17Å; Y91-K108 VanDerWaalsContact OH-C 3.24Å; Y91-K108 PolarHBondContact OH-O 3.47Å; Y91-T109 PolarHBondContact OH-N 3.3Å; Y91-A112 HydrophobicContact CD1-CB 4.03Å; Y91-A112 HydrophobicContact CD2-CB 3.41Å; Y91-A112 VanDerWaalsContact CD2-CB 3.41Å; Y91-A112 HydrophobicContact CE1-CB 3.87Å; Y91-A112 HydrophobicContact CE2-CB 3.24Å; Y91-A112 HydrophobicContact CG-CB 3.8Å; Y91-A112 VanDerWaalsContact CZ-CB 3.46Å
92A74.3Confident72.2Confident65 Ų6592.8 Ų92.854%0.53749%0.486SS..Hα-helixtrans-61.9-30.9179.600000112.8F88 H89 E90 T94F88-A92 VanDerWaalsContact O-CB 3.26Å; F88-A92 WeakPolarHBondContact O-CB 3.29Å; F88-A92 PolarHBondContact O-N 3.47Å; H89-A92 PolarHBondContact O-N 2.63Å; E90-A92 VanDerWaalsContact C-N 3.34Å; E90-A92 PolarHBondContact O-N 2.97Å; A92-T94 VanDerWaalsContact C-N 3.32Å
93K76.3Confident71.6Confident129 Ų12998.1 Ų98.156%0.56151%0.508SS*.Hα-helixtrans-67.2-34.1173.4-64.3174.7-167165.70112.4H89 E90 Y91H89-K93 WeakPolarHBondContact CE1-CE 3.12Å; H89-K93 WeakPolarHBondContact ND1-CE 3.32Å; H89-K93 PolarHBondContact O-N 3.42Å; E90-K93 VanDerWaalsContact CD-NZ 3.26Å; E90-K93 PolarHBondContact O-N 3.06Å; E90-K93 IonicContact OE1-NZ 2.91Å; E90-K93 PolarHBondContact OE1-NZ 3.22Å; E90-K93 IonicContact OE2-NZ 3.59Å; E90-K93 PolarHBondContact OE2-NZ 2.89Å; Y91-K93 PolarHBondContact O-N 2.85Å
94T70.7Confident71Confident104 Ų104102 Ų10264%0.63853%0.529SS*.Hα-helixtrans-79.5-26.4-178.365.10000113.7E90 Y91 A92E90-T94 PolarHBondContact O-N 3.05Å; Y91-T94 PolarHBondContact O-N 2.99Å; Y91-T94 PolarHBondContact O-OG1 3.46Å; A92-T94 VanDerWaalsContact C-N 3.32Å
95V66.4Low70.5Confident34 Ų34105.2 Ų105.221%0.20654%0.539CS..SBendtrans-88.5112.5-178.6-179.10000109.7Y91Y91-V95 HydrophobicContact CD1-CG2 4.12Å; Y91-V95 HydrophobicContact CD2-CG2 4.18Å; Y91-V95 HydrophobicContact CE1-CG2 3.59Å; Y91-V95 HydrophobicContact CE2-CG2 3.64Å; Y91-V95 HydrophobicContact CG-CG2 4.4Å; Y91-V95 PolarHBondContact O-N 3.38Å; Y91-V95 VanDerWaalsContact O-N 3.17Å
96K59.5Low70.1Confident173 Ų173101.9 Ų101.975%0.75253%0.534SS*.  trans-59.8137.7175-67.5-175.7179.4-177.90110.3I98K96-I98 PolarHBondContact O-N 3.18Å
97P59Low69.7Low134 Ų134102.8 Ų102.887%0.8753%0.533SS*.THydrogen-bonded Turntrans-61.4-13.6-175.8-24.333.4000115.8
98I50.8Low69.5Low160 Ų160105.5 Ų105.582%0.82154%0.544SS*.THydrogen-bonded Turntrans-113.623.8-161.4-35.6176.1000112.4K96 K100K96-I98 PolarHBondContact O-N 3.18Å; I98-K100 PolarHBondContact O-N 3.19Å
99E56.3Low69.4Low81 Ų81103.8 Ų103.838%0.37954%0.541SS..  trans-79.5117.2169.6-110.617817500109.4K108E99-K108 IonicContact OE1-NZ 3.39Å; E99-K108 PolarHBondContact OE1-NZ 3.41Å; E99-K108 IonicContact OE2-NZ 2.73Å
100K58.4Low69.4Low165 Ų165100.9 Ų100.972%0.71753%0.527SS*.  trans-50.3149.1169.9-71.7-177.2179.9178.10110I98 N102I98-K100 PolarHBondContact O-N 3.19Å; K100-N102 VanDerWaalsContact C-N 3.26Å; K100-N102 PolarHBondContact O-N 2.7Å
101P60.1Low69.6Low126 Ų12699.3 Ų99.382%0.81852%0.524SS*.SBendtrans-63.887.7176.527.8-34.5000110.2
102N68.6Low69.9Low96 Ų9697.6 Ų97.651%0.51352%0.52SS..  trans-113.1155.3176-70.2-14.5000108.9K100 N104 R105 S106K100-N102 VanDerWaalsContact C-N 3.26Å; K100-N102 PolarHBondContact O-N 2.7Å; N102-N104 PolarHBondContact O-N 3.22Å; N102-N104 VanDerWaalsContact O-N 3.07Å; N102-R105 WeakPolarHBondContact O-CB 3.3Å; N102-R105 PolarHBondContact O-N 3.45Å; N102-S106 PolarHBondContact O-N 2.92Å
103L72.8Confident70.2Confident135 Ų13595.3 Ų95.371%0.70750%0.503SS*.Hα-helixtrans-49.1-38.6177.9-176.863.1000112.6R105 S106 V107L103-R105 VanDerWaalsContact C-N 3.28Å; L103-R105 PolarHBondContact O-N 3.27Å; L103-S106 PolarHBondContact O-N 3.18Å; L103-S106 VanDerWaalsContact O-N 3.16Å; L103-V107 HydrophobicContact CD1-CG2 4.4Å; L103-V107 HydrophobicContact CG-CG2 4.36Å; L103-V107 WeakPolarHBondContact O-CG2 3.39Å; L103-V107 PolarHBondContact O-N 3.21Å
104N74.7Confident70.5Confident111 Ų11189.2 Ų89.259%0.59448%0.477SS*.Hα-helixtrans-58.4-36.6177.6-67.9-8.7000112.9N102 K108N102-N104 PolarHBondContact O-N 3.22Å; N102-N104 VanDerWaalsContact O-N 3.07Å; N104-K108 VanDerWaalsContact O-CB 3.3Å; N104-K108 WeakPolarHBondContact O-CB 3.31Å; N104-K108 WeakPolarHBondContact O-CG 3.29Å; N104-K108 PolarHBondContact O-N 3.38Å
105R72.5Confident71.3Confident115 Ų11588.3 Ų88.343%0.43447%0.467SS..Hα-helixtrans-68.7-42.9177.3-173.2179.7-174.9-95.90.8111.1N102 L103 K108 T109N102-R105 WeakPolarHBondContact O-CB 3.3Å; N102-R105 PolarHBondContact O-N 3.45Å; L103-R105 VanDerWaalsContact C-N 3.28Å; L103-R105 PolarHBondContact O-N 3.27Å; R105-K108 PolarHBondContact O-N 3.04Å; R105-T109 WeakPolarHBondContact O-CB 3.29Å; R105-T109 PolarHBondContact O-N 3.26Å; R105-T109 PolarHBondContact O-OG1 3.39Å
106S73.4Confident72.2Confident52 Ų5286.7 Ų86.736%0.36446%0.458SS..Hα-helixtrans-62.1-46.7176.6-63.90000111.5N102 L103 T109 F110N102-S106 PolarHBondContact O-N 2.92Å; L103-S106 PolarHBondContact O-N 3.18Å; L103-S106 VanDerWaalsContact O-N 3.16Å; S106-T109 PolarHBondContact O-N 3.45Å; S106-F110 VanDerWaalsContact O-CB 3.26Å; S106-F110 WeakPolarHBondContact O-CB 3.09Å; S106-F110 PolarHBondContact O-N 2.87Å
107V77.4Confident73.4Confident76 Ų7681.2 Ų81.246%0.46143%0.434SS..Hα-helixtrans-63.9-44.6176.8176.70000111.2L103 T109 F110 V111L103-V107 HydrophobicContact CD1-CG2 4.4Å; L103-V107 HydrophobicContact CG-CG2 4.36Å; L103-V107 WeakPolarHBondContact O-CG2 3.39Å; L103-V107 PolarHBondContact O-N 3.21Å; V107-T109 PolarHBondContact O-N 3.04Å; V107-F110 PolarHBondContact O-N 3.2Å; V107-V111 HydrophobicContact CG1-CG2 4.3Å; V107-V111 WeakPolarHBondContact O-CB 3.12Å; V107-V111 WeakPolarHBondContact O-CG2 3.4Å; V107-V111 PolarHBondContact O-N 3.36Å
108K78.9Confident74.9Confident98 Ų9875.5 Ų75.543%0.42640%0.397SS..Hα-helixtrans-59.9-44.9175.7-75.6173.3-172.7177.60111.6Y91 E99 N104 R105 F110 V111 A112Y91-K108 VanDerWaalsContact OH-C 3.24Å; Y91-K108 PolarHBondContact OH-O 3.47Å; E99-K108 IonicContact OE1-NZ 3.39Å; E99-K108 PolarHBondContact OE1-NZ 3.41Å; E99-K108 IonicContact OE2-NZ 2.73Å; N104-K108 VanDerWaalsContact O-CB 3.3Å; N104-K108 WeakPolarHBondContact O-CB 3.31Å; N104-K108 WeakPolarHBondContact O-CG 3.29Å; N104-K108 PolarHBondContact O-N 3.38Å; R105-K108 PolarHBondContact O-N 3.04Å; K108-F110 VanDerWaalsContact C-N 3.33Å; K108-V111 PolarHBondContact O-N 3.34Å; K108-A112 VanDerWaalsContact O-CB 3.25Å; K108-A112 WeakPolarHBondContact O-CB 3.46Å; K108-A112 PolarHBondContact O-N 3.35Å
109T76.7Confident76.8Confident55 Ų5571.3 Ų71.334%0.33738%0.375SS..Hα-helixtrans-65.8-39.4179.4-53.80000110.7Y91 R105 S106 V107 G113Y91-T109 PolarHBondContact OH-N 3.3Å; R105-T109 WeakPolarHBondContact O-CB 3.29Å; R105-T109 PolarHBondContact O-N 3.26Å; R105-T109 PolarHBondContact O-OG1 3.39Å; S106-T109 PolarHBondContact O-N 3.45Å; V107-T109 PolarHBondContact O-N 3.04Å; T109-G113 PolarHBondContact O-N 3Å
110F78.4Confident78.5Confident56 Ų5667.5 Ų67.525%0.24636%0.357CS..Hα-helixtrans-63.6-49.3175.4176.7-97.4000112S106 V107 K108 G113 G114 F185S106-F110 VanDerWaalsContact O-CB 3.26Å; S106-F110 WeakPolarHBondContact O-CB 3.09Å; S106-F110 PolarHBondContact O-N 2.87Å; V107-F110 PolarHBondContact O-N 3.2Å; K108-F110 VanDerWaalsContact C-N 3.33Å; F110-G113 PolarHBondContact O-N 2.91Å; F110-G114 PolarHBondContact O-N 3.23Å; F110-F185 HydrophobicContact CD2-CB 4.02Å; F110-F185 HydrophobicContact CD2-CD2 4.23Å; F110-F185 HydrophobicContact CD2-CG 4Å; F110-F185 HydrophobicContact CE2-CB 4.09Å
111V81.6Confident80Confident70 Ų7059.9 Ų59.942%0.42432%0.324SS..Hα-helixtrans-63.1-44.6178.5171.20000110.6V107 K108 G114 I115V107-V111 HydrophobicContact CG1-CG2 4.3Å; V107-V111 WeakPolarHBondContact O-CB 3.12Å; V107-V111 WeakPolarHBondContact O-CG2 3.4Å; V107-V111 PolarHBondContact O-N 3.36Å; K108-V111 PolarHBondContact O-N 3.34Å; V111-G114 PolarHBondContact O-N 3.05Å; V111-I115 HydrophobicContact CG1-CD1 3.7Å; V111-I115 HydrophobicContact CG1-CG1 4.39Å; V111-I115 WeakPolarHBondContact O-CB 3.26Å; V111-I115 VanDerWaalsContact O-CG1 3.26Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 3.21Å
112A81Confident81.6Confident15 Ų1557.1 Ų57.112%0.12430%0.303CS..Hα-helixtrans-63.2-45.5177.300000112.2Y91 K108 G114 I115 A116Y91-A112 HydrophobicContact CD1-CB 4.03Å; Y91-A112 HydrophobicContact CD2-CB 3.41Å; Y91-A112 VanDerWaalsContact CD2-CB 3.41Å; Y91-A112 HydrophobicContact CE1-CB 3.87Å; Y91-A112 HydrophobicContact CE2-CB 3.24Å; Y91-A112 HydrophobicContact CG-CB 3.8Å; Y91-A112 VanDerWaalsContact CZ-CB 3.46Å; K108-A112 VanDerWaalsContact O-CB 3.25Å; K108-A112 WeakPolarHBondContact O-CB 3.46Å; K108-A112 PolarHBondContact O-N 3.35Å; A112-G114 VanDerWaalsContact C-N 3.34Å; A112-G114 PolarHBondContact O-N 3.17Å; A112-I115 PolarHBondContact O-N 3.35Å; A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.36Å; A112-A116 PolarHBondContact O-N 2.79Å
113G80.5Confident82.7Confident16 Ų1657.4 Ų57.417%0.16530%0.303CS..Hα-helixtrans-63.2-39.3175.400000112.6T109 F110 A116 H117T109-G113 PolarHBondContact O-N 3Å; F110-G113 PolarHBondContact O-N 2.91Å; G113-A116 PolarHBondContact O-N 3.45Å; G113-H117 WeakPolarHBondContact O-CB 3.44Å; G113-H117 PolarHBondContact O-N 3.41Å
114G83.9Confident83.6Confident2 Ų251 Ų512%0.02127%0.27CS..Hα-helixtrans-64.2-46.417500000112.3F110 V111 A112 H117 N118F110-G114 PolarHBondContact O-N 3.23Å; V111-G114 PolarHBondContact O-N 3.05Å; A112-G114 VanDerWaalsContact C-N 3.34Å; A112-G114 PolarHBondContact O-N 3.17Å; G114-H117 PolarHBondContact O-N 3.18Å; G114-N118 PolarHBondContact O-N 3.02Å; G114-N118 PolarHBondContact O-ND2 3.32Å
115I85.5Confident84.4Confident85 Ų8545.7 Ų45.744%0.43624%0.242SC..Hα-helixtrans-62.5-45.2175.2-68.4166.8000110.3V111 A112 H117 N118 I119V111-I115 HydrophobicContact CG1-CD1 3.7Å; V111-I115 HydrophobicContact CG1-CG1 4.39Å; V111-I115 WeakPolarHBondContact O-CB 3.26Å; V111-I115 VanDerWaalsContact O-CG1 3.26Å; V111-I115 WeakPolarHBondContact O-CG1 3.47Å; V111-I115 PolarHBondContact O-N 3.21Å; A112-I115 PolarHBondContact O-N 3.35Å; I115-H117 VanDerWaalsContact C-N 3.31Å; I115-H117 PolarHBondContact O-N 2.86Å; I115-N118 PolarHBondContact O-N 3.39Å; I115-N118 VanDerWaalsContact O-N 3.15Å; I115-I119 HydrophobicContact CG2-CD1 3.68Å; I115-I119 HydrophobicContact CG2-CG1 4.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.33Å; I115-I119 PolarHBondContact O-N 3.48Å
116A86Confident85.4Confident0 Ų041.6 Ų41.60%023%0.23CC..Hα-helixtrans-57.1-45.1176.800000112I87 F88 A112 G113 A120I87-A116 HydrophobicContact CB-CB 3.86Å; I87-A116 HydrophobicContact CD1-CB 4.11Å; I87-A116 HydrophobicContact CG2-CB 3.45Å; I87-A116 VanDerWaalsContact CG2-CB 3.45Å; F88-A116 HydrophobicContact CE2-CB 4.46Å; A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.36Å; A112-A116 PolarHBondContact O-N 2.79Å; G113-A116 PolarHBondContact O-N 3.45Å; A116-A120 WeakPolarHBondContact O-CB 3.28Å; A116-A120 PolarHBondContact O-N 2.91Å
117H85.2Confident86.3Confident57 Ų5740.8 Ų40.826%0.26422%0.221SC..Hα-helixtrans-63.7-42.7177.3-162.9102.1000111.7G113 G114 I115 A120 T121G113-H117 WeakPolarHBondContact O-CB 3.44Å; G113-H117 PolarHBondContact O-N 3.41Å; G114-H117 PolarHBondContact O-N 3.18Å; I115-H117 VanDerWaalsContact C-N 3.31Å; I115-H117 PolarHBondContact O-N 2.86Å; H117-A120 PolarHBondContact O-N 2.75Å; H117-T121 WeakPolarHBondContact O-CB 3.31Å; H117-T121 PolarHBondContact O-N 2.85Å; H117-T121 PolarHBondContact O-OG1 2.98Å
118N90.7Very high87Confident15 Ų1538 Ų388%0.0820%0.204CC..Hα-helixtrans-68.2-39.1180-81.6-74.1000113.1G114 I115 A120 T121 L122 L174 F178G114-N118 PolarHBondContact O-N 3.02Å; G114-N118 PolarHBondContact O-ND2 3.32Å; I115-N118 PolarHBondContact O-N 3.39Å; I115-N118 VanDerWaalsContact O-N 3.15Å; N118-A120 VanDerWaalsContact C-N 3.35Å; N118-T121 PolarHBondContact O-N 2.98Å; N118-L122 WeakPolarHBondContact O-CB 3.34Å; N118-L122 PolarHBondContact O-N 3.35Å; N118-L174 HydrophobicContact CB-CD2 3.95Å; N118-L174 WeakPolarHBondContact OD1-CA 3.25Å; N118-L174 WeakPolarHBondContact OD1-CB 3.46Å; N118-L174 WeakPolarHBondContact OD1-CD2 3.44Å; N118-L174 PolarHBondContact OD1-O 3Å; N118-F178 WeakPolarHBondContact ND2-CE2 3.28Å; N118-F178 VanDerWaalsContact ND2-CZ 3.29Å; N118-F178 WeakPolarHBondContact ND2-CZ 2.87Å
119I91.3Very high87.5Confident72 Ų7233.4 Ų33.437%0.36918%0.184SC..Hα-helixtrans-64.6-43174.5-66.1168.4000110.1I83 I87 I115 T121 L122 L123I83-I119 HydrophobicContact CG2-CG2 4.21Å; I87-I119 HydrophobicContact CD1-CB 3.73Å; I87-I119 HydrophobicContact CD1-CD1 3.99Å; I87-I119 HydrophobicContact CD1-CG1 4.45Å; I87-I119 HydrophobicContact CD1-CG2 3.78Å; I115-I119 HydrophobicContact CG2-CD1 3.68Å; I115-I119 HydrophobicContact CG2-CG1 4.31Å; I115-I119 WeakPolarHBondContact O-CG1 3.33Å; I115-I119 PolarHBondContact O-N 3.48Å; I119-T121 VanDerWaalsContact C-N 3.33Å; I119-T121 PolarHBondContact O-N 2.93Å; I119-L122 PolarHBondContact O-N 3.35Å; I119-L123 HydrophobicContact CG2-CD1 4.34Å; I119-L123 PolarHBondContact O-N 3.4Å; I119-L123 VanDerWaalsContact O-N 3.1Å
120A90.4Very high88.1Confident0 Ų030.9 Ų30.90%017%0.168CC..Hα-helixtrans-60.9-43.4173.700000111.6I83 Q84 A116 H117 N118 L123 T124I83-A120 HydrophobicContact CB-CB 4.11Å; I83-A120 HydrophobicContact CG2-CB 3.83Å; Q84-A120 HydrophobicContact CG-CB 4.05Å; A116-A120 WeakPolarHBondContact O-CB 3.28Å; A116-A120 PolarHBondContact O-N 2.91Å; H117-A120 PolarHBondContact O-N 2.75Å; N118-A120 VanDerWaalsContact C-N 3.35Å; A120-L123 PolarHBondContact O-N 3.19Å; A120-T124 WeakPolarHBondContact O-CB 3.48Å; A120-T124 WeakPolarHBondContact O-CG2 3.28Å; A120-T124 PolarHBondContact O-N 2.86Å; A120-T124 PolarHBondContact O-OG1 3.31Å
121T91Very high88.7Confident5 Ų528.4 Ų28.43%0.03116%0.158CC..Hα-helixtrans-61.4-45.5174.7-63.10000111H117 N118 I119 L123 T124 H125H117-T121 WeakPolarHBondContact O-CB 3.31Å; H117-T121 PolarHBondContact O-N 2.85Å; H117-T121 PolarHBondContact O-OG1 2.98Å; N118-T121 PolarHBondContact O-N 2.98Å; I119-T121 VanDerWaalsContact C-N 3.33Å; I119-T121 PolarHBondContact O-N 2.93Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.43Å; T121-T124 CarbonylContact O-C 3.57Å; T121-T124 PolarHBondContact O-N 2.89Å; T121-T124 PolarHBondContact O-OG1 2.89Å; T121-H125 WeakPolarHBondContact O-CA 3.36Å; T121-H125 WeakPolarHBondContact O-CB 3.13Å; T121-H125 PolarHBondContact O-N 3.2Å
122L92.5Very high89.1Confident69 Ų6925.2 Ų25.236%0.36114%0.138SC..Hα-helixtrans-56-47.6179178.865.6000111.8N118 I119 Y167 L170N118-L122 WeakPolarHBondContact O-CB 3.34Å; N118-L122 PolarHBondContact O-N 3.35Å; I119-L122 PolarHBondContact O-N 3.35Å; L122-Y167 HydrophobicContact CD1-CD1 4.48Å; L122-Y167 HydrophobicContact CD1-CE1 4.12Å; L122-L170 HydrophobicContact CD1-CD1 3.9Å; L122-L170 HydrophobicContact CD1-CD2 3.58Å; L122-L170 HydrophobicContact CD1-CG 4.38Å
123L91.7Very high89.4Confident101 Ų10124.5 Ų24.553%0.52913%0.132SC..Hα-helixtrans-73-31.5-178.9-69.3178.4000113.3I83 I119 A120 T121I83-L123 HydrophobicContact CD1-CB 3.67Å; I83-L123 HydrophobicContact CD1-CD1 3.5Å; I83-L123 HydrophobicContact CD1-CG 4.21Å; I83-L123 HydrophobicContact CG1-CD1 4.04Å; I83-L123 HydrophobicContact CG2-CD1 4.48Å; I119-L123 HydrophobicContact CG2-CD1 4.34Å; I119-L123 PolarHBondContact O-N 3.4Å; I119-L123 VanDerWaalsContact O-N 3.1Å; A120-L123 PolarHBondContact O-N 3.19Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 3.43Å
124T91.8Very high89.7Confident1 Ų123.8 Ų23.81%0.00613%0.125CC..Hα-helixtrans-94.5-8.2179.762.90000114.2R76 P79 Q80 A120 T121 P126 L127 D128R76-T124 HydrophobicContact CG-CG2 4.32Å; P79-T124 HydrophobicContact CB-CG2 3.89Å; Q80-T124 HydrophobicContact CB-CG2 4.3Å; Q80-T124 PolarHBondContact OE1-OG1 3.48Å; A120-T124 WeakPolarHBondContact O-CB 3.48Å; A120-T124 WeakPolarHBondContact O-CG2 3.28Å; A120-T124 PolarHBondContact O-N 2.86Å; A120-T124 PolarHBondContact O-OG1 3.31Å; T121-T124 CarbonylContact O-C 3.57Å; T121-T124 PolarHBondContact O-N 2.89Å; T121-T124 PolarHBondContact O-OG1 2.89Å; T124-P126 VanDerWaalsContact C-N 3.31Å; T124-L127 WeakPolarHBondContact O-CB 3.21Å; T124-L127 PolarHBondContact O-N 3.42Å; T124-D128 PolarHBondContact O-N 3.28Å
125H92.5Very high89.8Confident0 Ų023.7 Ų23.70%012%0.124CC..Hα-helixtrans-54.3-38.4-178.6-166.173.2000113.7T121 L127 D128 V129 I166 R168 L170 S173T121-H125 WeakPolarHBondContact O-CA 3.36Å; T121-H125 WeakPolarHBondContact O-CB 3.13Å; T121-H125 PolarHBondContact O-N 3.2Å; H125-L127 PolarHBondContact O-N 2.59Å; H125-D128 WeakPolarHBondContact O-CB 3.46Å; H125-D128 PolarHBondContact O-N 2.86Å; H125-V129 WeakPolarHBondContact NE2-CG2 3.21Å; H125-V129 PolarHBondContact O-N 3.41Å; H125-I166 PolarHBondContact CD2-O 3.47Å; H125-R168 PolarHBondContact NE2-O 3.34Å; H125-L170 HydrophobicContact CB-CD1 4.21Å; H125-S173 PolarHBondContact CE1-OG 2.93Å; H125-S173 PolarHBondContact ND1-OG 3.12Å
126P92.4Very high89.7Confident29 Ų2919.6 Ų19.619%0.18810%0.103CC..Hα-helixtrans-51.1-41.7172-31.437.9000114.1T124 V129 V130 I166 Y167T124-P126 VanDerWaalsContact C-N 3.31Å; P126-V129 PolarHBondContact O-N 3.41Å; P126-V130 VanDerWaalsContact O-CG2 3.31Å; P126-V130 WeakPolarHBondContact O-CG2 3.44Å; P126-V130 PolarHBondContact O-N 2.91Å; P126-I166 HydrophobicContact CB-CG2 3.27Å; P126-I166 HydrophobicContact CG-CG2 3.55Å; P126-Y167 HydrophobicContact CG-CE1 4.44Å
127L92.2Very high89.3Confident34 Ų3420.2 Ų20.218%0.17811%0.107CC..Hα-helixtrans-71.4-33.1179.3-60.5172.7000111.5V72 V75 R76 T124 H125 K131V72-L127 HydrophobicContact CG1-CB 4.03Å; V72-L127 HydrophobicContact CG1-CD2 4.17Å; V72-L127 VanDerWaalsContact CG1-O 3.3Å; V72-L127 WeakPolarHBondContact CG1-O 3.26Å; V75-L127 HydrophobicContact CG1-CD1 4.39Å; R76-L127 HydrophobicContact CB-CB 4.17Å; R76-L127 HydrophobicContact CB-CD1 3.81Å; R76-L127 HydrophobicContact CG-CB 4Å; R76-L127 HydrophobicContact CG-CD1 3.97Å; T124-L127 WeakPolarHBondContact O-CB 3.21Å; T124-L127 PolarHBondContact O-N 3.42Å; H125-L127 PolarHBondContact O-N 2.59Å; L127-K131 WeakPolarHBondContact O-CB 3.34Å; L127-K131 PolarHBondContact O-N 2.9Å
128D91.9Very high88.4Confident18 Ų1818.2 Ų18.210%0.09610%0.099CC..Hα-helixtrans-66.4-39174.5-76.7-22.1000111.6R76 T124 H125 T132 R231 M235R76-D128 WeakPolarHBondContact CD-OD1 3.28Å; R76-D128 IonicContact CZ-OD1 2.79Å; R76-D128 IonicContact NE-OD1 3.78Å; R76-D128 PolarHBondContact NE-OD1 2.76Å; R76-D128 IonicContact NH1-OD1 2.71Å; R76-D128 PolarHBondContact NH1-OD1 2.95Å; R76-D128 IonicContact NH1-OD2 3.02Å; T124-D128 PolarHBondContact O-N 3.28Å; H125-D128 WeakPolarHBondContact O-CB 3.46Å; H125-D128 PolarHBondContact O-N 2.86Å; D128-T132 WeakPolarHBondContact O-CB 3.36Å; D128-T132 PolarHBondContact O-N 3.06Å; D128-T132 PolarHBondContact O-OG1 3.47Å; D128-R231 IonicContact OD2-CZ 3.38Å; D128-R231 IonicContact OD2-NH2 3.49Å; D128-R231 PolarHBondContact OD2-NH2 2.96Å; D128-M235 HydrophobicContact CB-SD 4.46Å
129V90.5Very high86.9Confident1 Ų118.6 Ų18.61%0.00610%0.104CC..Hα-helixtrans-68.5-47.7176.31750000111.2H125 P126 K131 T132 R133 I166 M235H125-V129 WeakPolarHBondContact NE2-CG2 3.21Å; H125-V129 PolarHBondContact O-N 3.41Å; P126-V129 PolarHBondContact O-N 3.41Å; V129-K131 VanDerWaalsContact C-N 3.31Å; V129-K131 PolarHBondContact O-N 3.48Å; V129-T132 PolarHBondContact O-N 3.43Å; V129-R133 HydrophobicContact CG1-CG 4.4Å; V129-R133 WeakPolarHBondContact O-CB 3.29Å; V129-R133 WeakPolarHBondContact O-CG 3.27Å; V129-R133 PolarHBondContact O-N 2.83Å; V129-I166 WeakPolarHBondContact CG2-O 3.39Å; V129-M235 HydrophobicContact CG2-CB 4.46Å; V129-M235 HydrophobicContact CG2-CG 4.08Å; V129-M235 HydrophobicContact CG2-SD 4.25Å
130V89.8Confident84.6Confident2 Ų218.8 Ų18.81%0.01211%0.111CC..Hα-helixtrans-57.2-48.1175.3174.50000110.2V72 P126 T132 R133 T134 W150 L154 I157V72-V130 HydrophobicContact CG1-CB 4.48Å; V72-V130 HydrophobicContact CG1-CG1 4.42Å; V72-V130 HydrophobicContact CG2-CG1 4.16Å; P126-V130 VanDerWaalsContact O-CG2 3.31Å; P126-V130 WeakPolarHBondContact O-CG2 3.44Å; P126-V130 PolarHBondContact O-N 2.91Å; V130-T132 PolarHBondContact O-N 3Å; V130-R133 PolarHBondContact O-N 2.95Å; V130-T134 WeakPolarHBondContact O-CB 3.17Å; V130-T134 PolarHBondContact O-N 2.88Å; V130-T134 PolarHBondContact O-OG1 3.16Å; V130-W150 HydrophobicContact CG1-CB 4.04Å; V130-L154 HydrophobicContact CG2-CB 3.97Å; V130-L154 HydrophobicContact CG2-CD1 3.72Å; V130-L154 HydrophobicContact CG2-CG 4.35Å; V130-I157 HydrophobicContact CG2-CD1 4.03Å
131K90.3Very high82.5Confident4 Ų421.6 Ų21.62%0.01714%0.14CC..Hα-helixtrans-55.3-50.7177171.8169.8-176.2149.30111.8H30 S33 I37 A69 V72 S73 L127 V129 R133 T134 I135H30-K131 PolarHBondContact NE2-NZ 3.35Å; H30-K131 VanDerWaalsContact NE2-NZ 3.16Å; S33-K131 PolarHBondContact OG-NZ 3.22Å; I37-K131 HydrophobicContact CD1-CD 4.39Å; I37-K131 HydrophobicContact CD1-CG 4.4Å; A69-K131 HydrophobicContact CB-CB 4.35Å; A69-K131 HydrophobicContact CB-CG 4.07Å; V72-K131 HydrophobicContact CG1-CB 4.07Å; S73-K131 PolarHBondContact OG-NZ 3.28Å; L127-K131 WeakPolarHBondContact O-CB 3.34Å; L127-K131 PolarHBondContact O-N 2.9Å; V129-K131 VanDerWaalsContact C-N 3.31Å; V129-K131 PolarHBondContact O-N 3.48Å; K131-R133 VanDerWaalsContact C-N 3.35Å; K131-R133 PolarHBondContact O-N 3.39Å; K131-T134 PolarHBondContact O-N 3.46Å; K131-I135 HydrophobicContact CD-CD1 4.45Å; K131-I135 HydrophobicContact CG-CD1 3.82Å; K131-I135 WeakPolarHBondContact O-CG1 3.29Å; K131-I135 PolarHBondContact O-N 3.48Å; K131-I135 VanDerWaalsContact O-N 3.09Å
132T90.5Very high80.2Confident3 Ų329.9 Ų29.92%0.01818%0.184CC..Hα-helixtrans-62.4-45.4-176.7-59.60000110.5I37 D128 V129 V130 I135 V136 M235 A236I37-T132 HydrophobicContact CG2-CG2 3.98Å; D128-T132 WeakPolarHBondContact O-CB 3.36Å; D128-T132 PolarHBondContact O-N 3.06Å; D128-T132 PolarHBondContact O-OG1 3.47Å; V129-T132 PolarHBondContact O-N 3.43Å; V130-T132 PolarHBondContact O-N 3Å; T132-I135 PolarHBondContact O-N 2.93Å; T132-V136 WeakPolarHBondContact O-CG2 3.46Å; T132-V136 PolarHBondContact O-N 3.14Å; T132-M235 HydrophobicContact CG2-CB 4.04Å; T132-A236 HydrophobicContact CG2-CB 3.97Å
133R86.9Confident77.9Confident1 Ų129.8 Ų29.80%0.00418%0.184CC..Hα-helixtrans-65.4-43.8179.6-71.1-176.7-174-171.111.8112.8V129 V130 K131 I135 V136 C137 T153 E161 G165 M235 S238 L241V129-R133 HydrophobicContact CG1-CG 4.4Å; V129-R133 WeakPolarHBondContact O-CB 3.29Å; V129-R133 WeakPolarHBondContact O-CG 3.27Å; V129-R133 PolarHBondContact O-N 2.83Å; V130-R133 PolarHBondContact O-N 2.95Å; K131-R133 VanDerWaalsContact C-N 3.35Å; K131-R133 PolarHBondContact O-N 3.39Å; R133-I135 VanDerWaalsContact C-N 3.25Å; R133-I135 PolarHBondContact O-N 2.9Å; R133-V136 WeakPolarHBondContact O-CG2 3.49Å; R133-V136 PolarHBondContact O-N 3.4Å; R133-C137 PolarHBondContact O-N 3.42Å; R133-C137 VanDerWaalsContact O-N 3.12Å; R133-C137 PolarHBondContact O-SG 3.32Å; R133-T153 HydrophobicContact CB-CG2 3.99Å; R133-E161 IonicContact CZ-OE1 4Å; R133-E161 IonicContact CZ-OE2 2.86Å; R133-E161 IonicContact NH1-OE1 2.63Å; R133-E161 PolarHBondContact NH1-OE1 3.34Å; R133-E161 IonicContact NH1-OE2 3.1Å; R133-E161 PolarHBondContact NH1-OE2 3.42Å; R133-E161 IonicContact NH2-OE1 3.14Å; R133-E161 IonicContact NH2-OE2 3.25Å; R133-E161 PolarHBondContact NH2-OE2 2.9Å; R133-G165 PolarHBondContact NH2-O 3.47Å; R133-G165 VanDerWaalsContact NH2-O 3.08Å; R133-M235 PolarHBondContact NE-O 2.99Å; R133-M235 VanDerWaalsContact NE-O 3.16Å; R133-S238 PolarHBondContact NH1-OG 3.39Å; R133-L241 HydrophobicContact CB-CD1 4.23Å; R133-L241 HydrophobicContact CG-CD1 4.15Å
134T86.3Confident75.7Confident0 Ų025.6 Ų25.60%017%0.165CC..Hα-helixtrans-61.2-33.9175.3-62.40000112.2A69 V130 K131 S147 T153A69-T134 HydrophobicContact CB-CG2 3.79Å; V130-T134 WeakPolarHBondContact O-CB 3.17Å; V130-T134 PolarHBondContact O-N 2.88Å; V130-T134 PolarHBondContact O-OG1 3.16Å; K131-T134 PolarHBondContact O-N 3.46Å; T134-S147 WeakPolarHBondContact CG2-O 3.45Å; T134-T153 PolarHBondContact OG1-OG1 3.33Å
135I87.2Confident73.5Confident0 Ų034.4 Ų34.40%020%0.203CC..Hα-helixtrans-74.4-38.3178.3-74.1167.9000112.6V34 I37 Q38 K68 A69 K131 T132 R133 C137V34-I135 HydrophobicContact CG1-CG2 3.93Å; V34-I135 HydrophobicContact CG2-CD1 4.09Å; V34-I135 HydrophobicContact CG2-CG1 4.29Å; I37-I135 HydrophobicContact CB-CD1 4.42Å; I37-I135 HydrophobicContact CB-CG2 4.06Å; I37-I135 HydrophobicContact CD1-CD1 3.53Å; I37-I135 HydrophobicContact CG2-CB 4.16Å; I37-I135 HydrophobicContact CG2-CD1 4.45Å; I37-I135 HydrophobicContact CG2-CG2 3.73Å; Q38-I135 HydrophobicContact CG-CG2 3.74Å; Q38-I135 PolarHBondContact NE2-O 3.32Å; K68-I135 HydrophobicContact CB-CG1 4.41Å; A69-I135 HydrophobicContact CB-CG1 4.35Å; K131-I135 HydrophobicContact CD-CD1 4.45Å; K131-I135 HydrophobicContact CG-CD1 3.82Å; K131-I135 WeakPolarHBondContact O-CG1 3.29Å; K131-I135 PolarHBondContact O-N 3.48Å; K131-I135 VanDerWaalsContact O-N 3.09Å; T132-I135 PolarHBondContact O-N 2.93Å; R133-I135 VanDerWaalsContact C-N 3.25Å; R133-I135 PolarHBondContact O-N 2.9Å; I135-C137 VanDerWaalsContact C-N 3.32Å
136V83.9Confident71.1Confident0 Ų037.1 Ų37.10%022%0.222CC..Hα-helixtrans-79.9-14.3-179.4-59.20000113.7S41 M43 T132 R133 P138 A236 L241S41-V136 WeakPolarHBondContact OG-CG1 3.16Å; M43-V136 WeakPolarHBondContact CE-O 3.43Å; M43-V136 HydrophobicContact CG-CB 4.48Å; M43-V136 HydrophobicContact CG-CG1 4.41Å; M43-V136 HydrophobicContact SD-CB 3.92Å; M43-V136 HydrophobicContact SD-CG1 3.98Å; T132-V136 WeakPolarHBondContact O-CG2 3.46Å; T132-V136 PolarHBondContact O-N 3.14Å; R133-V136 WeakPolarHBondContact O-CG2 3.49Å; R133-V136 PolarHBondContact O-N 3.4Å; V136-P138 VanDerWaalsContact O-CD 3.23Å; V136-P138 WeakPolarHBondContact O-CD 3.37Å; V136-A236 HydrophobicContact CG1-CB 3.95Å; V136-A236 HydrophobicContact CG2-CB 4.09Å; V136-L241 HydrophobicContact CG2-CD1 4.21Å
137C77.2Confident69.1Low13 Ų1336.1 Ų36.19%0.08822%0.216CC..SBendtrans-78.3114.2172.6-67.10000110.4K68 R133 I135 S147 L241K68-C137 PolarHBondContact NZ-O 2.82Å; R133-C137 PolarHBondContact O-N 3.42Å; R133-C137 VanDerWaalsContact O-N 3.12Å; R133-C137 PolarHBondContact O-SG 3.32Å; I135-C137 VanDerWaalsContact C-N 3.32Å; C137-S147 VanDerWaalsContact CB-OG 3.23Å; C137-S147 WeakPolarHBondContact CB-OG 3.23Å; C137-L241 WeakPolarHBondContact SG-CD2 3.28Å
138P65.6Low67.4Low14 Ų1439.1 Ų39.19%0.09123%0.229CC..  trans-66.1151.9169.428.2-31.8000110.3V136 C140 Y246V136-P138 VanDerWaalsContact O-CD 3.23Å; V136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-C140 VanDerWaalsContact C-N 3.25Å; P138-C140 PolarHBondContact O-N 3.3Å; P138-Y246 HydrophobicContact CG-CD2 4.09Å; P138-Y246 HydrophobicContact CG-CE1 4.28Å; P138-Y246 HydrophobicContact CG-CE2 3.46Å; P138-Y246 VanDerWaalsContact CG-CE2 3.46Å
139A59.2Low66.4Low23 Ų2343.1 Ų43.119%0.1925%0.25CS..SBendtrans-76.7-11.6177.300000112.7D61 G144D61-A139 WeakPolarHBondContact OD1-CB 3.29Å; D61-A139 PolarHBondContact OD1-N 3.4Å; A139-G144 WeakPolarHBondContact O-CA 3.36Å
140C43.2Very low65.9Low76 Ų7645.9 Ų45.951%0.51426%0.261SS..  trans-71.8127.7178.9-68.70000112.3P138P138-C140 VanDerWaalsContact C-N 3.25Å; P138-C140 PolarHBondContact O-N 3.3Å
141G45.6Very low65.4Low60 Ų6051.7 Ų51.762%0.61929%0.289SS*.SBendtrans109.3174.6178.900000113.2L143 G144G141-L143 PolarHBondContact O-N 2.89Å; G141-G144 PolarHBondContact O-N 3.47Å
142D42.7Very low65Low178 Ų17852.5 Ų52.595%0.95230%0.299SS*.THydrogen-bonded Turntrans-54.2-16.1178.3-85.8-25.8000114.1G144D142-G144 VanDerWaalsContact C-N 3.32Å
143L44.4Very low64.5Low67 Ų6753 Ų5335%0.35130%0.301SS..THydrogen-bonded Turntrans-76.7-13.5173.9-65.6166.2000113.5G141 K145 S146 S147 P242G141-L143 PolarHBondContact O-N 2.89Å; L143-K145 VanDerWaalsContact C-N 3.28Å; L143-K145 PolarHBondContact O-N 2.82Å; L143-S146 PolarHBondContact O-N 3.36Å; L143-S146 VanDerWaalsContact O-N 3.12Å; L143-S147 WeakPolarHBondContact O-CB 3.47Å; L143-S147 PolarHBondContact O-N 2.91Å; L143-P242 HydrophobicContact CD1-CG 3.61Å
144G46.5Very low64.4Low13 Ų1355.2 Ų55.213%0.13431%0.313CS..Hα-helixtrans-57.8-34.6-174.400000114.7A139 G141 D142A139-G144 WeakPolarHBondContact O-CA 3.36Å; G141-G144 PolarHBondContact O-N 3.47Å; D142-G144 VanDerWaalsContact C-N 3.32Å
145K45Very low64.3Low187 Ų18758.9 Ų58.981%0.81334%0.339SS*.Hα-helixtrans-76.1-37.8176.8-69.1-177.4-179.2176.30112.6L143L143-K145 VanDerWaalsContact C-N 3.28Å; L143-K145 PolarHBondContact O-N 2.82Å
146S42.9Very low64Low57 Ų5761.8 Ų61.840%0.39935%0.352SS..Hα-helixtrans-82.7-32.9-179.6-172.90000112.5L143 Q148 N149L143-S146 PolarHBondContact O-N 3.36Å; L143-S146 VanDerWaalsContact O-N 3.12Å; S146-Q148 VanDerWaalsContact C-N 3.27Å; S146-Q148 PolarHBondContact O-N 3.47Å; S146-N149 CarbonylContact O-C 3.52Å; S146-N149 PolarHBondContact O-N 3.16Å
147S49.2Very low64Low7 Ų762 Ų625%0.04935%0.353CS..Hα-helixtrans-66.8-25179.1-178.70000113T134 C137 L143 N149T134-S147 WeakPolarHBondContact CG2-O 3.45Å; C137-S147 VanDerWaalsContact CB-OG 3.23Å; C137-S147 WeakPolarHBondContact CB-OG 3.23Å; L143-S147 WeakPolarHBondContact O-CB 3.47Å; L143-S147 PolarHBondContact O-N 2.91Å; S147-N149 VanDerWaalsContact C-N 3.27Å
148Q56.5Low64.4Low98 Ų9865.3 Ų65.346%0.45837%0.369SS..THydrogen-bonded Turntrans-71.4-27.8172.2-76.6-175.5-10.500111.7S146 W150S146-Q148 VanDerWaalsContact C-N 3.27Å; S146-Q148 PolarHBondContact O-N 3.47Å; Q148-W150 PolarHBondContact O-N 2.72Å
149N71.1Confident65.3Low101 Ų10169 Ų6954%0.5440%0.395SS..  trans-92.9104.2-179.8-71.3-12.6000110.2S146 S147 M151 G152 T153S146-N149 CarbonylContact O-C 3.52Å; S146-N149 PolarHBondContact O-N 3.16Å; S147-N149 VanDerWaalsContact C-N 3.27Å; N149-M151 PolarHBondContact O-N 3.02Å; N149-M151 VanDerWaalsContact O-N 3.11Å; N149-G152 WeakPolarHBondContact O-CA 3.42Å; N149-G152 PolarHBondContact O-N 2.95Å; N149-T153 PolarHBondContact O-N 2.79Å; N149-T153 VanDerWaalsContact O-N 3.08Å; N149-T153 PolarHBondContact O-OG1 3.35Å
150W79.2Confident66.5Low60 Ų6073.2 Ų73.223%0.22741%0.411CS..Hα-helixtrans-55.5-28.6174.463.6-89000113.3V72 V130 Q148 T153 L154V72-W150 HydrophobicContact CG2-CB 3.15Å; V72-W150 HydrophobicContact CG2-CD2 3.6Å; V72-W150 HydrophobicContact CG2-CE3 3.97Å; V72-W150 HydrophobicContact CG2-CG 3.25Å; V130-W150 HydrophobicContact CG1-CB 4.04Å; Q148-W150 PolarHBondContact O-N 2.72Å; W150-T153 WeakPolarHBondContact O-CB 3.28Å; W150-T153 PolarHBondContact O-N 3.36Å; W150-L154 HydrophobicContact CZ3-CD2 4.46Å; W150-L154 WeakPolarHBondContact O-CB 3.43Å; W150-L154 PolarHBondContact O-N 2.95Å
151M81Confident68.3Low124 Ų12470.8 Ų70.861%0.61139%0.392SS*.Hα-helixtrans-65.1-40.6173-67.5178.817100112.1N149 T153 L154 S155N149-M151 PolarHBondContact O-N 3.02Å; N149-M151 VanDerWaalsContact O-N 3.11Å; M151-T153 VanDerWaalsContact C-N 3.33Å; M151-L154 PolarHBondContact O-N 2.71Å; M151-S155 WeakPolarHBondContact O-CB 3.45Å; M151-S155 PolarHBondContact O-N 3.29Å
152G80.3Confident70.2Confident21 Ų2169.2 Ų69.222%0.21638%0.376CS..Hα-helixtrans-65.9-39.3174.100000111.3N149 S155 K156N149-G152 WeakPolarHBondContact O-CA 3.42Å; N149-G152 PolarHBondContact O-N 2.95Å; G152-S155 PolarHBondContact O-N 2.96Å; G152-K156 WeakPolarHBondContact O-CB 3.3Å; G152-K156 PolarHBondContact O-N 3.37Å
153T80.9Confident72.3Confident12 Ų1266.7 Ų66.77%0.07436%0.361CS..Hα-helixtrans-60.7-48.2172-520000110.7R133 T134 N149 W150 M151 K156 I157R133-T153 HydrophobicContact CB-CG2 3.99Å; T134-T153 PolarHBondContact OG1-OG1 3.33Å; N149-T153 PolarHBondContact O-N 2.79Å; N149-T153 VanDerWaalsContact O-N 3.08Å; N149-T153 PolarHBondContact O-OG1 3.35Å; W150-T153 WeakPolarHBondContact O-CB 3.28Å; W150-T153 PolarHBondContact O-N 3.36Å; M151-T153 VanDerWaalsContact C-N 3.33Å; T153-K156 PolarHBondContact O-N 3.29Å; T153-I157 HydrophobicContact CG2-CD1 3.99Å; T153-I157 WeakPolarHBondContact O-CD1 3.46Å; T153-I157 WeakPolarHBondContact O-CG1 3.42Å; T153-I157 PolarHBondContact O-N 3.17Å
154L84.5Confident74.2Confident48 Ų4873.8 Ų73.825%0.25138%0.383SS..Hα-helixtrans-60.3-47.2178.1175.860000112.5V130 W150 M151 K156 I157 L158 I166V130-L154 HydrophobicContact CG2-CB 3.97Å; V130-L154 HydrophobicContact CG2-CD1 3.72Å; V130-L154 HydrophobicContact CG2-CG 4.35Å; W150-L154 HydrophobicContact CZ3-CD2 4.46Å; W150-L154 WeakPolarHBondContact O-CB 3.43Å; W150-L154 PolarHBondContact O-N 2.95Å; M151-L154 PolarHBondContact O-N 2.71Å; L154-K156 VanDerWaalsContact C-N 3.31Å; L154-K156 PolarHBondContact O-N 3.39Å; L154-I157 PolarHBondContact O-N 2.86Å; L154-L158 HydrophobicContact CD1-CD1 4.18Å; L154-L158 HydrophobicContact CD1-CG 4.32Å; L154-L158 HydrophobicContact CG-CD1 4.25Å; L154-L158 PolarHBondContact O-N 3.45Å; L154-I166 HydrophobicContact CD1-CD1 3.86Å
155S84.6Confident76Confident78 Ų7873.1 Ų73.155%0.54538%0.377SS..Hα-helixtrans-58.8-43.2177.5178.40000111.4M151 G152 I157 L158 S159M151-S155 WeakPolarHBondContact O-CB 3.45Å; M151-S155 PolarHBondContact O-N 3.29Å; G152-S155 PolarHBondContact O-N 2.96Å; S155-I157 PolarHBondContact O-N 2.73Å; S155-L158 PolarHBondContact O-N 3.05Å; S155-S159 WeakPolarHBondContact O-CB 3.36Å; S155-S159 PolarHBondContact O-N 2.92Å; S155-S159 PolarHBondContact O-OG 3.28Å; S155-S159 VanDerWaalsContact O-OG 3.13Å
156K81.3Confident78.1Confident60 Ų6064.9 Ų64.926%0.26134%0.341SS..Hα-helixtrans-65.6-37.3177.2-165.6176.7-171.1-171.70112.9G152 T153 L154 S159 Q160 A240G152-K156 WeakPolarHBondContact O-CB 3.3Å; G152-K156 PolarHBondContact O-N 3.37Å; T153-K156 PolarHBondContact O-N 3.29Å; L154-K156 VanDerWaalsContact C-N 3.31Å; L154-K156 PolarHBondContact O-N 3.39Å; K156-S159 PolarHBondContact O-OG 2.79Å; K156-Q160 HydrophobicContact CG-CG 4.38Å; K156-Q160 WeakPolarHBondContact O-CB 3.31Å; K156-Q160 WeakPolarHBondContact O-CG 3.39Å; K156-Q160 PolarHBondContact O-N 3.2Å; K156-Q160 VanDerWaalsContact O-N 3.09Å; K156-A240 WeakPolarHBondContact CE-O 3.46Å; K156-A240 PolarHBondContact NZ-O 2.86Å
157I83.3Confident80.3Confident4 Ų466.5 Ų66.52%0.02134%0.339CS..Hα-helixtrans-64.4-47.1175.6-62.3162.5000110V130 T153 L154 S155 E161 G162 I166V130-I157 HydrophobicContact CG2-CD1 4.03Å; T153-I157 HydrophobicContact CG2-CD1 3.99Å; T153-I157 WeakPolarHBondContact O-CD1 3.46Å; T153-I157 WeakPolarHBondContact O-CG1 3.42Å; T153-I157 PolarHBondContact O-N 3.17Å; L154-I157 PolarHBondContact O-N 2.86Å; S155-I157 PolarHBondContact O-N 2.73Å; I157-E161 WeakPolarHBondContact O-CA 3.45Å; I157-E161 WeakPolarHBondContact O-CB 3.27Å; I157-E161 PolarHBondContact O-N 3Å; I157-G162 PolarHBondContact O-N 3.39Å; I157-I166 HydrophobicContact CG2-CD1 4.43Å; I157-I166 HydrophobicContact CG2-CG1 3.54Å
158L85.3Confident82.1Confident84 Ų8467.9 Ų67.944%0.4434%0.343SS..Hα-helixtrans-63-43.6179.8-76.4171.6000112.2L154 S155 G162 I166L154-L158 HydrophobicContact CD1-CD1 4.18Å; L154-L158 HydrophobicContact CD1-CG 4.32Å; L154-L158 HydrophobicContact CG-CD1 4.25Å; L154-L158 PolarHBondContact O-N 3.45Å; S155-L158 PolarHBondContact O-N 3.05Å; L158-G162 VanDerWaalsContact O-CA 3.23Å; L158-G162 WeakPolarHBondContact O-CA 3.43Å; L158-G162 PolarHBondContact O-N 3.15Å; L158-G162 VanDerWaalsContact O-N 3.12Å; L158-I166 HydrophobicContact CD2-CD1 3.23Å; L158-I166 HydrophobicContact CD2-CG1 4.32Å; L158-I166 HydrophobicContact CG-CD1 3.7Å
159S85.2Confident83.6Confident91 Ų9163.5 Ų63.564%0.63633%0.325SS*.Hα-helixtrans-72.7-34-177.462.40000113.4S155 K156S155-S159 WeakPolarHBondContact O-CB 3.36Å; S155-S159 PolarHBondContact O-N 2.92Å; S155-S159 PolarHBondContact O-OG 3.28Å; S155-S159 VanDerWaalsContact O-OG 3.13Å; K156-S159 PolarHBondContact O-OG 2.79Å
160Q83.6Confident84.6Confident112 Ų11260.3 Ų60.352%0.52331%0.308SS..Hα-helixtrans-99.6-28.6-173.8-61.9-170.7-21.200114.3K156 A240K156-Q160 HydrophobicContact CG-CG 4.38Å; K156-Q160 WeakPolarHBondContact O-CB 3.31Å; K156-Q160 WeakPolarHBondContact O-CG 3.39Å; K156-Q160 PolarHBondContact O-N 3.2Å; K156-Q160 VanDerWaalsContact O-N 3.09Å; Q160-A240 HydrophobicContact CB-CB 4.05Å
161E80.8Confident85.2Confident25 Ų2561.8 Ų61.812%0.11732%0.323CS..Hα-helixtrans-120.6-10.6-178.1-58.2-171.3165.900114R133 I157 G165 R168 S238 P239R133-E161 IonicContact CZ-OE1 4Å; R133-E161 IonicContact CZ-OE2 2.86Å; R133-E161 IonicContact NH1-OE1 2.63Å; R133-E161 PolarHBondContact NH1-OE1 3.34Å; R133-E161 IonicContact NH1-OE2 3.1Å; R133-E161 PolarHBondContact NH1-OE2 3.42Å; R133-E161 IonicContact NH2-OE1 3.14Å; R133-E161 IonicContact NH2-OE2 3.25Å; R133-E161 PolarHBondContact NH2-OE2 2.9Å; I157-E161 WeakPolarHBondContact O-CA 3.45Å; I157-E161 WeakPolarHBondContact O-CB 3.27Å; I157-E161 PolarHBondContact O-N 3Å; E161-G165 PolarHBondContact O-N 3.37Å; E161-G165 WeakPolarHBondContact OE2-CA 3.46Å; E161-R168 VanDerWaalsContact CD-NH2 3.33Å; E161-R168 IonicContact OE1-CZ 2.67Å; E161-R168 IonicContact OE1-NH1 2.73Å; E161-R168 PolarHBondContact OE1-NH1 2.88Å; E161-R168 IonicContact OE1-NH2 3.19Å; E161-R168 PolarHBondContact OE1-NH2 3.36Å; E161-R168 IonicContact OE2-CZ 3.01Å; E161-R168 VanDerWaalsContact OE2-CZ 3.22Å; E161-R168 IonicContact OE2-NE 3.8Å; E161-R168 IonicContact OE2-NH1 3.94Å; E161-R168 PolarHBondContact OE2-NH1 3.08Å; E161-R168 IonicContact OE2-NH2 2.71Å; E161-R168 PolarHBondContact OE2-NH2 3.2Å; E161-S238 VanDerWaalsContact OE1-CA 3.27Å; E161-S238 WeakPolarHBondContact OE1-CA 3.44Å; E161-S238 VanDerWaalsContact OE1-CB 3.24Å; E161-S238 WeakPolarHBondContact OE1-CB 3.44Å; E161-S238 PolarHBondContact OE1-OG 3.3Å; E161-P239 WeakPolarHBondContact OE1-CD 3.32Å
162G85.7Confident85.8Confident27 Ų2756 Ų5628%0.27830%0.295SS..Hα-helixtrans61.3-161.4-17400000113.5I157 L158 R164 G165I157-G162 PolarHBondContact O-N 3.39Å; L158-G162 VanDerWaalsContact O-CA 3.23Å; L158-G162 WeakPolarHBondContact O-CA 3.43Å; L158-G162 PolarHBondContact O-N 3.15Å; L158-G162 VanDerWaalsContact O-N 3.12Å; G162-R164 PolarHBondContact O-N 2.84Å; G162-G165 PolarHBondContact O-N 2.92Å; G162-G165 VanDerWaalsContact O-N 3.15Å
163I87Confident86.3Confident125 Ų12555 Ų5564%0.64129%0.285SS*.Hα-helixtrans-62.1-34.2-177.9-62.4165.6000111.3G165 I166 Y167I163-G165 PolarHBondContact O-N 2.95Å; I163-I166 PolarHBondContact O-N 2.94Å; I163-I166 VanDerWaalsContact O-N 3.15Å; I163-Y167 HydrophobicContact CG2-CD2 3.92Å; I163-Y167 HydrophobicContact CG2-CE2 3.99Å; I163-Y167 PolarHBondContact O-N 3.41Å
164R85.4Confident86.9Confident215 Ų21556.9 Ų56.981%0.81129%0.294SS*.Hα-helixtrans-62.8-32.2178.8-168.7175.7-180179.91.3112.2G162 R168G162-R164 PolarHBondContact O-N 2.84Å; R164-R168 WeakPolarHBondContact O-CG 3.15Å
165G83.9Confident87.3Confident0 Ų058.6 Ų58.60%030%0.302CS..Hα-helixtrans-63.9-39.7174.800000113.6R133 E161 G162 I163 R168R133-G165 PolarHBondContact NH2-O 3.47Å; R133-G165 VanDerWaalsContact NH2-O 3.08Å; E161-G165 PolarHBondContact O-N 3.37Å; E161-G165 WeakPolarHBondContact OE2-CA 3.46Å; G162-G165 PolarHBondContact O-N 2.92Å; G162-G165 VanDerWaalsContact O-N 3.15Å; I163-G165 PolarHBondContact O-N 2.95Å; G165-R168 WeakPolarHBondContact O-CB 3.09Å; G165-R168 WeakPolarHBondContact O-CG 3.41Å; G165-R168 PolarHBondContact O-N 3.44Å
166I88.5Confident87.5Confident13 Ų1355.1 Ų55.17%0.06728%0.278CS..Hα-helixtrans-72.2-29.6-177.6-64.9-172.7000112.4H125 P126 V129 L154 I157 L158 I163H125-I166 PolarHBondContact CD2-O 3.47Å; P126-I166 HydrophobicContact CB-CG2 3.27Å; P126-I166 HydrophobicContact CG-CG2 3.55Å; V129-I166 WeakPolarHBondContact CG2-O 3.39Å; L154-I166 HydrophobicContact CD1-CD1 3.86Å; I157-I166 HydrophobicContact CG2-CD1 4.43Å; I157-I166 HydrophobicContact CG2-CG1 3.54Å; L158-I166 HydrophobicContact CD2-CD1 3.23Å; L158-I166 HydrophobicContact CD2-CG1 4.32Å; L158-I166 HydrophobicContact CG-CD1 3.7Å; I163-I166 PolarHBondContact O-N 2.94Å; I163-I166 VanDerWaalsContact O-N 3.15Å
167Y90.1Very high87.8Confident91 Ų9152.6 Ų52.636%0.35727%0.268SS..THydrogen-bonded Turntrans-9311.5176.8-73.5-82.7000114L122 P126 I163 G169 L170L122-Y167 HydrophobicContact CD1-CD1 4.48Å; L122-Y167 HydrophobicContact CD1-CE1 4.12Å; P126-Y167 HydrophobicContact CG-CE1 4.44Å; I163-Y167 HydrophobicContact CG2-CD2 3.92Å; I163-Y167 HydrophobicContact CG2-CE2 3.99Å; I163-Y167 PolarHBondContact O-N 3.41Å; Y167-G169 PolarHBondContact O-N 2.95Å; Y167-L170 HydrophobicContact CD1-CD2 4.23Å; Y167-L170 VanDerWaalsContact O-CB 3.32Å; Y167-L170 WeakPolarHBondContact O-CB 3.08Å; Y167-L170 PolarHBondContact O-N 3.25Å
168R86.2Confident87.9Confident36 Ų3657 Ų5714%0.13629%0.288CS..THydrogen-bonded Turntrans-63.8137.2176.5-73.1-171.7-175.31619.3111.4H125 E161 R164 G165 L170 M235 S237 V252H125-R168 PolarHBondContact NE2-O 3.34Å; E161-R168 VanDerWaalsContact CD-NH2 3.33Å; E161-R168 IonicContact OE1-CZ 2.67Å; E161-R168 IonicContact OE1-NH1 2.73Å; E161-R168 PolarHBondContact OE1-NH1 2.88Å; E161-R168 IonicContact OE1-NH2 3.19Å; E161-R168 PolarHBondContact OE1-NH2 3.36Å; E161-R168 IonicContact OE2-CZ 3.01Å; E161-R168 VanDerWaalsContact OE2-CZ 3.22Å; E161-R168 IonicContact OE2-NE 3.8Å; E161-R168 IonicContact OE2-NH1 3.94Å; E161-R168 PolarHBondContact OE2-NH1 3.08Å; E161-R168 IonicContact OE2-NH2 2.71Å; E161-R168 PolarHBondContact OE2-NH2 3.2Å; R164-R168 WeakPolarHBondContact O-CG 3.15Å; G165-R168 WeakPolarHBondContact O-CB 3.09Å; G165-R168 WeakPolarHBondContact O-CG 3.41Å; G165-R168 PolarHBondContact O-N 3.44Å; R168-L170 VanDerWaalsContact C-N 3.28Å; R168-L170 PolarHBondContact O-N 2.95Å; R168-M235 WeakPolarHBondContact O-CG 3.21Å; R168-S237 PolarHBondContact NH1-O 2.94Å; R168-S237 VanDerWaalsContact NH1-O 3.08Å; R168-V252 HydrophobicContact CG-CG1 4.26Å
169G88Confident88.2Confident7 Ų755.6 Ų55.67%0.07228%0.28CS..THydrogen-bonded Turntrans75.711.8-178.100000114.2Y167 V171 P172 S173Y167-G169 PolarHBondContact O-N 2.95Å; G169-V171 PolarHBondContact O-N 3.15Å; G169-P172 VanDerWaalsContact O-CD 3.25Å; G169-P172 WeakPolarHBondContact O-CD 3.37Å; G169-P172 VanDerWaalsContact O-CG 3.26Å; G169-P172 WeakPolarHBondContact O-CG 3.41Å; G169-S173 WeakPolarHBondContact O-CB 3.31Å; G169-S173 PolarHBondContact O-N 2.94Å; G169-S173 VanDerWaalsContact O-N 3.15Å; G169-S173 PolarHBondContact O-OG 3.27Å
170L91.3Very high88.4Confident34 Ų3454.4 Ų54.418%0.17826%0.264CS..Hα-helixtrans-58.9-47.6176.5179.266.1000111.9L122 H125 Y167 R168 S173 L174L122-L170 HydrophobicContact CD1-CD1 3.9Å; L122-L170 HydrophobicContact CD1-CD2 3.58Å; L122-L170 HydrophobicContact CD1-CG 4.38Å; H125-L170 HydrophobicContact CB-CD1 4.21Å; Y167-L170 HydrophobicContact CD1-CD2 4.23Å; Y167-L170 VanDerWaalsContact O-CB 3.32Å; Y167-L170 WeakPolarHBondContact O-CB 3.08Å; Y167-L170 PolarHBondContact O-N 3.25Å; R168-L170 VanDerWaalsContact C-N 3.28Å; R168-L170 PolarHBondContact O-N 2.95Å; L170-S173 WeakPolarHBondContact O-CA 3.22Å; L170-S173 WeakPolarHBondContact O-CB 3.5Å; L170-S173 PolarHBondContact O-N 3.43Å; L170-L174 HydrophobicContact CD1-CD1 4.34Å; L170-L174 HydrophobicContact CD1-CD2 4.19Å; L170-L174 HydrophobicContact CD1-CG 4.13Å; L170-L174 HydrophobicContact CG-CD1 4.05Å; L170-L174 HydrophobicContact CG-CG 4.25Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.28Å
171V92.7Very high88.4Confident91 Ų9150.6 Ų50.655%0.55225%0.249SC*.Hα-helixtrans-54-55-179.7176.70000112.9G169 S173 L174 I175G169-V171 PolarHBondContact O-N 3.15Å; V171-S173 PolarHBondContact O-N 3.19Å; V171-L174 PolarHBondContact O-N 2.79Å; V171-I175 HydrophobicContact CG1-CD1 3.87Å; V171-I175 WeakPolarHBondContact O-CG1 3.32Å; V171-I175 PolarHBondContact O-N 3.25Å; V171-I175 VanDerWaalsContact O-N 3.08Å
172P92.5Very high88.6Confident3 Ų350.3 Ų50.32%0.01925%0.253CS..Hα-helixtrans-65.6-23.7176.325-33.6000112.7G169 G176 V227 R231 V254G169-P172 VanDerWaalsContact O-CD 3.25Å; G169-P172 WeakPolarHBondContact O-CD 3.37Å; G169-P172 VanDerWaalsContact O-CG 3.26Å; G169-P172 WeakPolarHBondContact O-CG 3.41Å; P172-G176 PolarHBondContact O-N 2.89Å; P172-V227 HydrophobicContact CB-CG1 4.14Å; P172-V227 WeakPolarHBondContact O-CG1 3.37Å; P172-R231 HydrophobicContact CB-CB 4.05Å; P172-R231 HydrophobicContact CB-CG 4.47Å; P172-R231 HydrophobicContact CG-CB 4.2Å; P172-R231 HydrophobicContact CG-CG 4.34Å; P172-V254 HydrophobicContact CG-CG2 4.24Å
173S92Very high88.7Confident0 Ų050.2 Ų50.20%025%0.247CC..Hα-helixtrans-65.9-43.5173.3-53.10000112.3H125 G169 L170 V171 S177 R231H125-S173 PolarHBondContact CE1-OG 2.93Å; H125-S173 PolarHBondContact ND1-OG 3.12Å; G169-S173 WeakPolarHBondContact O-CB 3.31Å; G169-S173 PolarHBondContact O-N 2.94Å; G169-S173 VanDerWaalsContact O-N 3.15Å; G169-S173 PolarHBondContact O-OG 3.27Å; L170-S173 WeakPolarHBondContact O-CA 3.22Å; L170-S173 WeakPolarHBondContact O-CB 3.5Å; L170-S173 PolarHBondContact O-N 3.43Å; V171-S173 PolarHBondContact O-N 3.19Å; S173-S177 WeakPolarHBondContact O-CB 3.38Å; S173-S177 PolarHBondContact O-N 2.89Å; S173-S177 PolarHBondContact O-OG 3.11Å; S173-R231 WeakPolarHBondContact OG-CD 3.42Å; S173-R231 WeakPolarHBondContact OG-CG 3.35Å; S173-R231 PolarHBondContact OG-NE 3.42Å; S173-R231 PolarHBondContact OG-NH2 3.48Å
174L92.5Very high88.6Confident51 Ų5145.8 Ų45.827%0.26722%0.224SC..Hα-helixtrans-68.4-46.9179-60.8174.3000110.6N118 L170 V171 G176 S177 F178N118-L174 HydrophobicContact CB-CD2 3.95Å; N118-L174 WeakPolarHBondContact OD1-CA 3.25Å; N118-L174 WeakPolarHBondContact OD1-CB 3.46Å; N118-L174 WeakPolarHBondContact OD1-CD2 3.44Å; N118-L174 PolarHBondContact OD1-O 3Å; L170-L174 HydrophobicContact CD1-CD1 4.34Å; L170-L174 HydrophobicContact CD1-CD2 4.19Å; L170-L174 HydrophobicContact CD1-CG 4.13Å; L170-L174 HydrophobicContact CG-CD1 4.05Å; L170-L174 HydrophobicContact CG-CG 4.25Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.28Å; V171-L174 PolarHBondContact O-N 2.79Å; L174-G176 PolarHBondContact O-N 2.83Å; L174-S177 WeakPolarHBondContact O-CB 3.43Å; L174-S177 PolarHBondContact O-N 3.45Å; L174-F178 WeakPolarHBondContact O-CD2 3.37Å; L174-F178 PolarHBondContact O-N 3.28Å; L174-F178 VanDerWaalsContact O-N 3.17Å
175I92.9Very high88.5Confident84 Ų8439 Ų3943%0.43120%0.2SC..Hα-helixtrans-60-46.6176.3-63.3169.2000110.7V171 S177 F178 I179 V227V171-I175 HydrophobicContact CG1-CD1 3.87Å; V171-I175 WeakPolarHBondContact O-CG1 3.32Å; V171-I175 PolarHBondContact O-N 3.25Å; V171-I175 VanDerWaalsContact O-N 3.08Å; I175-S177 VanDerWaalsContact C-N 3.27Å; I175-S177 PolarHBondContact O-N 2.9Å; I175-F178 PolarHBondContact O-N 3.42Å; I175-I179 HydrophobicContact CG2-CD1 3.87Å; I175-I179 WeakPolarHBondContact O-CG1 3.5Å; I175-I179 PolarHBondContact O-N 2.97Å; I175-V227 HydrophobicContact CB-CG1 4.38Å; I175-V227 HydrophobicContact CG2-CG1 4.27Å; I175-V227 HydrophobicContact CG2-CG2 4.46Å
176G90.4Very high88.5Confident4 Ų442.9 Ų42.94%0.04122%0.224CC..Hα-helixtrans-61.7-36.2178.700000112.6P172 L174 I179 F180P172-G176 PolarHBondContact O-N 2.89Å; L174-G176 PolarHBondContact O-N 2.83Å; G176-I179 PolarHBondContact O-N 2.89Å; G176-F180 VanDerWaalsContact O-CB 3.29Å; G176-F180 WeakPolarHBondContact O-CB 3.44Å; G176-F180 PolarHBondContact O-N 3.21Å
177S86.1Confident88.3Confident7 Ų743.1 Ų43.15%0.04923%0.228CC..Hα-helixtrans-62.5-42.2175.4-59.40000111.9S173 L174 I175 S181S173-S177 WeakPolarHBondContact O-CB 3.38Å; S173-S177 PolarHBondContact O-N 2.89Å; S173-S177 PolarHBondContact O-OG 3.11Å; L174-S177 WeakPolarHBondContact O-CB 3.43Å; L174-S177 PolarHBondContact O-N 3.45Å; I175-S177 VanDerWaalsContact C-N 3.27Å; I175-S177 PolarHBondContact O-N 2.9Å; S177-S181 VanDerWaalsContact O-CB 3.29Å; S177-S181 WeakPolarHBondContact O-CB 3.45Å; S177-S181 PolarHBondContact O-N 3.18Å
178F86.8Confident87.8Confident97 Ų9743.9 Ų43.943%0.42523%0.231SC..Hα-helixtrans-65.5-45.9175.7-82.9-71.3000112.6N118 L174 I175 F180 S181 G182N118-F178 WeakPolarHBondContact ND2-CE2 3.28Å; N118-F178 VanDerWaalsContact ND2-CZ 3.29Å; N118-F178 WeakPolarHBondContact ND2-CZ 2.87Å; L174-F178 WeakPolarHBondContact O-CD2 3.37Å; L174-F178 PolarHBondContact O-N 3.28Å; L174-F178 VanDerWaalsContact O-N 3.17Å; I175-F178 PolarHBondContact O-N 3.42Å; F178-F180 VanDerWaalsContact C-N 3.34Å; F178-F180 PolarHBondContact O-N 3.17Å; F178-S181 PolarHBondContact O-N 2.96Å; F178-G182 PolarHBondContact O-N 3.36Å
179I91.2Very high87.6Confident54 Ų5445.7 Ų45.728%0.27724%0.243SC..Hα-helixtrans-62.3-44.6179.1-65.6168.1000110.4I175 G176 G182 T183 V223 V227I175-I179 HydrophobicContact CG2-CD1 3.87Å; I175-I179 WeakPolarHBondContact O-CG1 3.5Å; I175-I179 PolarHBondContact O-N 2.97Å; G176-I179 PolarHBondContact O-N 2.89Å; I179-G182 PolarHBondContact O-N 2.91Å; I179-T183 WeakPolarHBondContact O-CB 3.44Å; I179-T183 PolarHBondContact O-N 3.1Å; I179-T183 PolarHBondContact O-OG1 3.47Å; I179-V223 HydrophobicContact CG2-CG1 3.84Å; I179-V227 HydrophobicContact CD1-CB 4.45Å; I179-V227 HydrophobicContact CD1-CG2 3.61Å
180F88.2Confident87.3Confident67 Ų6752.3 Ų52.329%0.29427%0.27SS..Hα-helixtrans-62.5-48.5177.6-176.4-93.8000111.4G176 F178 G182 T183 M184 A220G176-F180 VanDerWaalsContact O-CB 3.29Å; G176-F180 WeakPolarHBondContact O-CB 3.44Å; G176-F180 PolarHBondContact O-N 3.21Å; F178-F180 VanDerWaalsContact C-N 3.34Å; F178-F180 PolarHBondContact O-N 3.17Å; F180-G182 PolarHBondContact O-N 3Å; F180-T183 PolarHBondContact O-N 3.45Å; F180-M184 HydrophobicContact CD1-CG 4.14Å; F180-M184 HydrophobicContact CE1-CG 3.71Å; F180-M184 HydrophobicContact CE2-CG 4.37Å; F180-M184 HydrophobicContact CZ-CG 3.84Å; F180-M184 HydrophobicContact CZ-SD 4.15Å; F180-M184 WeakPolarHBondContact O-CB 3.34Å; F180-M184 VanDerWaalsContact O-CG 3.3Å; F180-M184 WeakPolarHBondContact O-CG 3.42Å; F180-M184 PolarHBondContact O-N 3.32Å; F180-A220 HydrophobicContact CD2-CB 3.91Å; F180-A220 HydrophobicContact CE2-CB 3.79Å; F180-A220 HydrophobicContact CZ-CB 4.48Å
181S83.7Confident86.4Confident31 Ų3151.2 Ų51.222%0.21726%0.264CS..Hα-helixtrans-62.3-43.5178.2-170.70000112.1S177 F178 M184 F185S177-S181 VanDerWaalsContact O-CB 3.29Å; S177-S181 WeakPolarHBondContact O-CB 3.45Å; S177-S181 PolarHBondContact O-N 3.18Å; F178-S181 PolarHBondContact O-N 2.96Å; S181-M184 PolarHBondContact O-N 3.04Å; S181-F185 WeakPolarHBondContact O-CB 3.38Å; S181-F185 PolarHBondContact O-N 2.99Å
182G86.4Confident85.6Confident19 Ų1950.1 Ų50.120%0.19626%0.255CS..Hα-helixtrans-59.9-47.8176.900000112.1F178 I179 F180 M184 F185 T186F178-G182 PolarHBondContact O-N 3.36Å; I179-G182 PolarHBondContact O-N 2.91Å; F180-G182 PolarHBondContact O-N 3Å; G182-M184 PolarHBondContact O-N 2.72Å; G182-F185 PolarHBondContact O-N 3.46Å; G182-T186 WeakPolarHBondContact O-CG2 3.25Å; G182-T186 PolarHBondContact O-N 2.92Å; G182-T186 PolarHBondContact O-OG1 2.91Å
183T87Confident84.8Confident25 Ų2554.3 Ų54.315%0.15328%0.284CS..Hα-helixtrans-68.4-36.6-179.9-47.10000112.1I179 F180 F185 T186 A187 A220 V223I179-T183 WeakPolarHBondContact O-CB 3.44Å; I179-T183 PolarHBondContact O-N 3.1Å; I179-T183 PolarHBondContact O-OG1 3.47Å; F180-T183 PolarHBondContact O-N 3.45Å; T183-F185 VanDerWaalsContact C-N 3.35Å; T183-T186 WeakPolarHBondContact CA-OG1 3.33Å; T183-T186 PolarHBondContact O-OG1 2.86Å; T183-A187 WeakPolarHBondContact O-CB 3.15Å; T183-A187 PolarHBondContact O-N 3.28Å; T183-A220 HydrophobicContact CG2-CB 3.95Å; T183-V223 HydrophobicContact CG2-CB 4.15Å; T183-V223 HydrophobicContact CG2-CG1 4.5Å; T183-V223 HydrophobicContact CG2-CG2 4.03Å
184M84.3Confident84.1Confident32 Ų3257 Ų5716%0.15830%0.298CS..Hα-helixtrans-63.2-43.1173.2-76.3-64.5-6200111.2F180 S181 G182 A187 W188 A216 V217 A220F180-M184 HydrophobicContact CD1-CG 4.14Å; F180-M184 HydrophobicContact CE1-CG 3.71Å; F180-M184 HydrophobicContact CE2-CG 4.37Å; F180-M184 HydrophobicContact CZ-CG 3.84Å; F180-M184 HydrophobicContact CZ-SD 4.15Å; F180-M184 WeakPolarHBondContact O-CB 3.34Å; F180-M184 VanDerWaalsContact O-CG 3.3Å; F180-M184 WeakPolarHBondContact O-CG 3.42Å; F180-M184 PolarHBondContact O-N 3.32Å; S181-M184 PolarHBondContact O-N 3.04Å; G182-M184 PolarHBondContact O-N 2.72Å; M184-A187 PolarHBondContact O-N 2.85Å; M184-W188 PolarHBondContact O-N 2.95Å; M184-A216 HydrophobicContact SD-CB 4.49Å; M184-V217 HydrophobicContact CE-CG2 3.85Å; M184-V217 HydrophobicContact SD-CG2 3.99Å; M184-A220 HydrophobicContact CG-CB 3.75Å; M184-A220 HydrophobicContact SD-CB 3.68Å
185F83Confident82.9Confident72 Ų7258.9 Ų58.932%0.31631%0.313SS..Hα-helixtrans-62.1-48.2178.3-170.7-95.6000111.6F110 S181 G182 T183 A187 W188 D189F110-F185 HydrophobicContact CD2-CB 4.02Å; F110-F185 HydrophobicContact CD2-CD2 4.23Å; F110-F185 HydrophobicContact CD2-CG 4Å; F110-F185 HydrophobicContact CE2-CB 4.09Å; S181-F185 WeakPolarHBondContact O-CB 3.38Å; S181-F185 PolarHBondContact O-N 2.99Å; G182-F185 PolarHBondContact O-N 3.46Å; T183-F185 VanDerWaalsContact C-N 3.35Å; F185-A187 VanDerWaalsContact C-N 3.33Å; F185-A187 PolarHBondContact O-N 3.19Å; F185-W188 PolarHBondContact O-N 3.5Å; F185-D189 WeakPolarHBondContact CE1-OD2 3.19Å; F185-D189 PolarHBondContact O-N 2.93Å
186T85Confident81.6Confident83 Ų8365.8 Ų65.851%0.50933%0.334SS..Hα-helixtrans-64.5-37177.2570000112.6G182 T183 W188 D189 F190G182-T186 WeakPolarHBondContact O-CG2 3.25Å; G182-T186 PolarHBondContact O-N 2.92Å; G182-T186 PolarHBondContact O-OG1 2.91Å; T183-T186 WeakPolarHBondContact CA-OG1 3.33Å; T183-T186 PolarHBondContact O-OG1 2.86Å; T186-W188 VanDerWaalsContact C-N 3.34Å; T186-D189 PolarHBondContact O-N 2.98Å; T186-F190 WeakPolarHBondContact O-CB 3.24Å; T186-F190 PolarHBondContact O-N 3.47Å
187A84.6Confident80.2Confident18 Ų1870.2 Ų70.215%0.14935%0.349CS..Hα-helixtrans-64.6-39.3175.700000111.8T183 M184 F185 M191 A216T183-A187 WeakPolarHBondContact O-CB 3.15Å; T183-A187 PolarHBondContact O-N 3.28Å; M184-A187 PolarHBondContact O-N 2.85Å; F185-A187 VanDerWaalsContact C-N 3.33Å; F185-A187 PolarHBondContact O-N 3.19Å; A187-M191 VanDerWaalsContact O-CG 3.24Å; A187-M191 WeakPolarHBondContact O-CG 3.5Å; A187-M191 PolarHBondContact O-N 3.38Å; A187-A216 HydrophobicContact CB-CB 3.72Å
188W79.1Confident79Confident107 Ų10779.6 Ų79.641%0.40538%0.383SS..Hα-helixtrans-66.8-45.1174.8-81.2115.3000112.4M184 F185 T186 F190 M191 D192M184-W188 PolarHBondContact O-N 2.95Å; F185-W188 PolarHBondContact O-N 3.5Å; T186-W188 VanDerWaalsContact C-N 3.34Å; W188-F190 VanDerWaalsContact C-N 3.29Å; W188-F190 PolarHBondContact O-N 3.06Å; W188-M191 HydrophobicContact CE3-SD 4.11Å; W188-M191 HydrophobicContact CZ3-SD 4.3Å; W188-M191 WeakPolarHBondContact O-CB 3.3Å; W188-M191 PolarHBondContact O-N 3.09Å; W188-M191 VanDerWaalsContact O-N 3.15Å; W188-D192 PolarHBondContact O-N 3.49Å; W188-D192 VanDerWaalsContact O-N 3.07Å
189D82Confident77.3Confident73 Ų7385.3 Ų85.339%0.3940%0.402SS..Hα-helixtrans-60.5-41.5176-75.6-13.5000111.3F185 T186 M191 D192 C193F185-D189 WeakPolarHBondContact CE1-OD2 3.19Å; F185-D189 PolarHBondContact O-N 2.93Å; T186-D189 PolarHBondContact O-N 2.98Å; D189-M191 VanDerWaalsContact C-N 3.33Å; D189-M191 PolarHBondContact O-N 3.43Å; D189-D192 PolarHBondContact O-N 3.16Å; D189-D192 VanDerWaalsContact O-N 3.15Å; D189-C193 PolarHBondContact O-N 3.44Å; D189-C193 PolarHBondContact O-SG 3.49Å
190F80.7Confident75.2Confident147 Ų14789.8 Ų89.865%0.64542%0.422SS*.Hα-helixtrans-61.9-40.8175.7-175.7-98.5000112T186 W188 D192 C193T186-F190 WeakPolarHBondContact O-CB 3.24Å; T186-F190 PolarHBondContact O-N 3.47Å; W188-F190 VanDerWaalsContact C-N 3.29Å; W188-F190 PolarHBondContact O-N 3.06Å; F190-D192 VanDerWaalsContact C-N 3.26Å; F190-D192 PolarHBondContact O-N 3.16Å; F190-C193 WeakPolarHBondContact O-CB 3.36Å; F190-C193 PolarHBondContact O-N 3.04Å
191M74.5Confident73.3Confident11 Ų1192 Ų925%0.05445%0.453CS..Hα-helixtrans-63.9-30.8175.3-72.6173.6-171.300113.1A187 W188 D189 C193 L194 R197 L212 A216A187-M191 VanDerWaalsContact O-CG 3.24Å; A187-M191 WeakPolarHBondContact O-CG 3.5Å; A187-M191 PolarHBondContact O-N 3.38Å; W188-M191 HydrophobicContact CE3-SD 4.11Å; W188-M191 HydrophobicContact CZ3-SD 4.3Å; W188-M191 WeakPolarHBondContact O-CB 3.3Å; W188-M191 PolarHBondContact O-N 3.09Å; W188-M191 VanDerWaalsContact O-N 3.15Å; D189-M191 VanDerWaalsContact C-N 3.33Å; D189-M191 PolarHBondContact O-N 3.43Å; M191-C193 VanDerWaalsContact C-N 3.34Å; M191-L194 WeakPolarHBondContact O-CB 3.36Å; M191-L194 PolarHBondContact O-N 2.85Å; M191-R197 WeakPolarHBondContact O-CD 3.47Å; M191-L212 HydrophobicContact CE-CB 3.86Å; M191-L212 HydrophobicContact CE-CD2 4.47Å; M191-L212 WeakPolarHBondContact CE-O 3.32Å; M191-L212 HydrophobicContact SD-CB 3.97Å; M191-A216 HydrophobicContact CE-CB 3.37Å; M191-A216 HydrophobicContact SD-CB 4.49Å
192D74.1Confident71.4Confident67 Ų6799.3 Ų99.336%0.35848%0.476SS..Hα-helixtrans-77.3-20.4178-78.3-13.5000113.6W188 D189 F190 L194 R197W188-D192 PolarHBondContact O-N 3.49Å; W188-D192 VanDerWaalsContact O-N 3.07Å; D189-D192 PolarHBondContact O-N 3.16Å; D189-D192 VanDerWaalsContact O-N 3.15Å; F190-D192 VanDerWaalsContact C-N 3.26Å; F190-D192 PolarHBondContact O-N 3.16Å; D192-L194 VanDerWaalsContact C-N 3.3Å; D192-R197 IonicContact OD1-CZ 3.38Å; D192-R197 IonicContact OD1-NE 3.85Å; D192-R197 IonicContact OD1-NH1 2.6Å; D192-R197 PolarHBondContact OD1-NH1 2.9Å
193C77Confident69.8Low92 Ų92102.9 Ų102.962%0.62250%0.496SS*.THydrogen-bonded Turntrans-76.7-15171.1-69.80000113.1D189 F190 M191 P195D189-C193 PolarHBondContact O-N 3.44Å; D189-C193 PolarHBondContact O-SG 3.49Å; F190-C193 WeakPolarHBondContact O-CB 3.36Å; F190-C193 PolarHBondContact O-N 3.04Å; M191-C193 VanDerWaalsContact C-N 3.34Å; C193-P195 WeakPolarHBondContact O-CD 3.31Å
194L77Confident67.9Low57 Ų57109.9 Ų109.930%0.29852%0.524SS..  trans-67.9118.6-179.9-67.2171.8000110.7M191 D192 W196 R197 L212M191-L194 WeakPolarHBondContact O-CB 3.36Å; M191-L194 PolarHBondContact O-N 2.85Å; D192-L194 VanDerWaalsContact C-N 3.3Å; L194-W196 VanDerWaalsContact C-N 3.26Å; L194-W196 PolarHBondContact O-N 2.88Å; L194-R197 WeakPolarHBondContact O-CB 3.38Å; L194-R197 PolarHBondContact O-N 3.29Å; L194-L212 HydrophobicContact CD1-CD2 4.34Å
195P66.9Low66.4Low90 Ų90111.4 Ų111.458%0.58453%0.532SS*.Hα-helixtrans-63.7-31.1-170.220.7-30.6000113.3C193 R197 R198C193-P195 WeakPolarHBondContact O-CD 3.31Å; P195-R197 PolarHBondContact O-N 3.44Å; P195-R198 PolarHBondContact O-N 3.35Å
196W65.9Low65.5Low228 Ų228114.6 Ų114.686%0.86454%0.544SS*.Hα-helixtrans-62.2-28177.1-56.183.2000112.6L194L194-W196 VanDerWaalsContact C-N 3.26Å; L194-W196 PolarHBondContact O-N 2.88Å
197R62Low65Low97 Ų97112.7 Ų112.737%0.36654%0.54SS..Hα-helixtrans-75.1-34-179.1-165.8176.4-169.6-93.3-4113.1M191 D192 L194 P195M191-R197 WeakPolarHBondContact O-CD 3.47Å; D192-R197 IonicContact OD1-CZ 3.38Å; D192-R197 IonicContact OD1-NE 3.85Å; D192-R197 IonicContact OD1-NH1 2.6Å; D192-R197 PolarHBondContact OD1-NH1 2.9Å; L194-R197 WeakPolarHBondContact O-CB 3.38Å; L194-R197 PolarHBondContact O-N 3.29Å; P195-R197 PolarHBondContact O-N 3.44Å
198R59.6Low64.6Low204 Ų204116.5 Ų116.577%0.7756%0.555SS**Hα-helixtrans-75.3-24.9179.4-71.1-171.2-166.4170.44.2113P195P195-R198 PolarHBondContact O-N 3.35Å
199R52.3Low64.6Low218 Ų218112.2 Ų112.282%0.82354%0.543SS*.SBendtrans-84.2-14.8-162-162.6165.3170.8134.5-3.2115.5
200Q45.2Very low64.6Low147 Ų147111.7 Ų111.769%0.68754%0.536SS*.  trans-152.7117-176.4-111.2156.1-9.500115.5R202Q200-R202 HydrophobicContact CB-CG 4.44Å; Q200-R202 HydrophobicContact CG-CG 4.12Å; Q200-R202 PolarHBondContact O-N 3.45Å
201A48.2Very low64.9Low115 Ų115109.6 Ų109.695%0.9553%0.53SS*.  trans-73.239.3167.900000113.3
202R45.3Very low65.4Low183 Ų183111.6 Ų111.669%0.69154%0.541SS*.  trans-97.8141.7178-71.4-93.8-179.5173.4-2.1109.5Q200 F204Q200-R202 HydrophobicContact CB-CG 4.44Å; Q200-R202 HydrophobicContact CG-CG 4.12Å; Q200-R202 PolarHBondContact O-N 3.45Å; R202-F204 HydrophobicContact CB-CB 4.42Å; R202-F204 PolarHBondContact O-N 2.9Å
203P51.4Low65.9Low95 Ų95108.8 Ų108.862%0.61753%0.526SS*.G310 helixtrans-6714176.427-33000114.7L205 Y206P203-L205 PolarHBondContact O-N 3.37Å; P203-L205 VanDerWaalsContact O-N 3.07Å; P203-Y206 HydrophobicContact CB-CD2 4.49Å; P203-Y206 HydrophobicContact CB-CE2 3.75Å; P203-Y206 WeakPolarHBondContact O-CD2 3.47Å; P203-Y206 WeakPolarHBondContact O-CE2 3.23Å
204F47Very low66.5Low172 Ų172105.5 Ų105.575%0.75450%0.503SS*.G310 helixtrans-64-8.7177-164.8-103.5000113.2R202R202-F204 HydrophobicContact CB-CB 4.42Å; R202-F204 PolarHBondContact O-N 2.9Å
205L54Low67.1Low63 Ų63106.8 Ų106.833%0.3351%0.513SS..G310 helixtrans-99.17.1-166.8-146.681.4000116.1P203 G207 E208 A209P203-L205 PolarHBondContact O-N 3.37Å; P203-L205 VanDerWaalsContact O-N 3.07Å; L205-G207 PolarHBondContact O-N 3.3Å; L205-E208 HydrophobicContact CD1-CB 4.23Å; L205-E208 WeakPolarHBondContact CD1-OE2 3.15Å; L205-E208 HydrophobicContact CG-CB 4.43Å; L205-A209 HydrophobicContact CD2-CB 4.1Å; L205-A209 HydrophobicContact CG-CB 4.18Å; L205-A209 WeakPolarHBondContact O-CB 3.35Å; L205-A209 PolarHBondContact O-N 3.39Å
206Y64.8Low68.1Low140 Ų140102.6 Ų102.655%0.54949%0.486SS..Hα-helixtrans-63.1-42.3-178.4-70.1-74.2000112.1P203 Y210 N293P203-Y206 HydrophobicContact CB-CD2 4.49Å; P203-Y206 HydrophobicContact CB-CE2 3.75Å; P203-Y206 WeakPolarHBondContact O-CD2 3.47Å; P203-Y206 WeakPolarHBondContact O-CE2 3.23Å; Y206-Y210 WeakPolarHBondContact O-CB 3.44Å; Y206-Y210 PolarHBondContact O-N 2.89Å; Y206-N293 WeakPolarHBondContact CE1-OD1 3.22Å
207G74Confident69.3Low43 Ų4392.8 Ų92.844%0.44345%0.452SS..Hα-helixtrans-74.2-46.9179.200000113.2L205 Y210 I211L205-G207 PolarHBondContact O-N 3.3Å; G207-Y210 WeakPolarHBondContact O-CB 2.99Å; G207-Y210 PolarHBondContact O-N 3.48Å; G207-I211 VanDerWaalsContact O-CG1 3.29Å; G207-I211 WeakPolarHBondContact O-CG1 3.37Å; G207-I211 PolarHBondContact O-N 2.95Å
208E76.1Confident70.7Confident97 Ų9788.8 Ų88.845%0.45344%0.439SS..Hα-helixtrans-66.1-44.1-178.8-68-177.8-179.800112.5L205 Y210 I211 L212L205-E208 HydrophobicContact CD1-CB 4.23Å; L205-E208 WeakPolarHBondContact CD1-OE2 3.15Å; L205-E208 HydrophobicContact CG-CB 4.43Å; E208-Y210 VanDerWaalsContact C-N 3.26Å; E208-Y210 PolarHBondContact O-N 3.29Å; E208-I211 PolarHBondContact O-N 3.14Å; E208-L212 WeakPolarHBondContact O-CB 3.23Å; E208-L212 VanDerWaalsContact O-CG 3.32Å; E208-L212 WeakPolarHBondContact O-CG 3.26Å; E208-L212 PolarHBondContact O-N 3.12Å
209A78.4Confident72.1Confident18 Ų1881 Ų8115%0.14942%0.417CS..Hα-helixtrans-65.2-33.8177.500000111.8L205 S213 W289L205-A209 HydrophobicContact CD2-CB 4.1Å; L205-A209 HydrophobicContact CG-CB 4.18Å; L205-A209 WeakPolarHBondContact O-CB 3.35Å; L205-A209 PolarHBondContact O-N 3.39Å; A209-S213 WeakPolarHBondContact O-CB 3.41Å; A209-S213 PolarHBondContact O-N 2.83Å; A209-S213 PolarHBondContact O-OG 3.04Å; A209-W289 VanDerWaalsContact C-CZ2 3.47Å; A209-W289 HydrophobicContact CB-CH2 3.34Å; A209-W289 HydrophobicContact CB-CZ2 3.62Å; A209-W289 HydrophobicContact CB-CZ3 4.36Å; A209-W289 WeakPolarHBondContact O-CZ2 3.27Å
210Y83.3Confident74Confident62 Ų6270.6 Ų70.624%0.24338%0.378CS..Hα-helixtrans-61.5-52.3169.7170.4-97.1000111.2Y206 G207 E208 L212 S213 V214 V282 V285 T286 W289Y206-Y210 WeakPolarHBondContact O-CB 3.44Å; Y206-Y210 PolarHBondContact O-N 2.89Å; G207-Y210 WeakPolarHBondContact O-CB 2.99Å; G207-Y210 PolarHBondContact O-N 3.48Å; E208-Y210 VanDerWaalsContact C-N 3.26Å; E208-Y210 PolarHBondContact O-N 3.29Å; Y210-L212 VanDerWaalsContact C-N 3.35Å; Y210-L212 PolarHBondContact O-N 2.74Å; Y210-S213 PolarHBondContact O-N 2.86Å; Y210-S213 VanDerWaalsContact O-N 3.12Å; Y210-S213 PolarHBondContact O-OG 2.96Å; Y210-V214 HydrophobicContact CD1-CG2 4.43Å; Y210-V214 HydrophobicContact CD2-CG2 4.44Å; Y210-V214 HydrophobicContact CE1-CG2 3.99Å; Y210-V214 HydrophobicContact CE2-CG2 4Å; Y210-V214 WeakPolarHBondContact O-CG2 3.42Å; Y210-V214 PolarHBondContact O-N 3.5Å; Y210-V282 WeakPolarHBondContact OH-CG1 3.31Å; Y210-V285 HydrophobicContact CD2-CG1 3.89Å; Y210-V285 HydrophobicContact CE2-CB 4.47Å; Y210-V285 HydrophobicContact CE2-CG1 3.83Å; Y210-T286 WeakPolarHBondContact CE2-OG1 3.33Å; Y210-T286 PolarHBondContact OH-OG1 2.74Å; Y210-W289 HydrophobicContact CD2-CB 4.36Å; Y210-W289 AromaticContact CD2-CD1 3.78Å; Y210-W289 AromaticContact CD2-CG 3.96Å; Y210-W289 HydrophobicContact CD2-CG 3.96Å
211I86.2Confident76.2Confident102 Ų10263.8 Ų63.852%0.52335%0.347SS..Hα-helixtrans-57.2-48.4178.9-67.4163.4000110.8G207 E208 S213 V214 V215G207-I211 VanDerWaalsContact O-CG1 3.29Å; G207-I211 WeakPolarHBondContact O-CG1 3.37Å; G207-I211 PolarHBondContact O-N 2.95Å; E208-I211 PolarHBondContact O-N 3.14Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 3.45Å; I211-V214 PolarHBondContact O-N 2.86Å; I211-V214 VanDerWaalsContact O-N 3.17Å; I211-V215 HydrophobicContact CG2-CG2 4.45Å; I211-V215 WeakPolarHBondContact O-CG2 3.41Å; I211-V215 PolarHBondContact O-N 2.87Å
212L84.6Confident78.2Confident54 Ų5461.9 Ų61.928%0.28332%0.32SS..Hα-helixtrans-56.8-47.2176.6-73.3172.3000110.9M191 L194 E208 Y210 V214 V215 A216M191-L212 HydrophobicContact CE-CB 3.86Å; M191-L212 HydrophobicContact CE-CD2 4.47Å; M191-L212 WeakPolarHBondContact CE-O 3.32Å; M191-L212 HydrophobicContact SD-CB 3.97Å; L194-L212 HydrophobicContact CD1-CD2 4.34Å; E208-L212 WeakPolarHBondContact O-CB 3.23Å; E208-L212 VanDerWaalsContact O-CG 3.32Å; E208-L212 WeakPolarHBondContact O-CG 3.26Å; E208-L212 PolarHBondContact O-N 3.12Å; Y210-L212 VanDerWaalsContact C-N 3.35Å; Y210-L212 PolarHBondContact O-N 2.74Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.05Å; L212-V215 WeakPolarHBondContact O-CB 3.3Å; L212-V215 PolarHBondContact O-N 3.47Å; L212-V215 VanDerWaalsContact O-N 3.1Å; L212-A216 PolarHBondContact O-N 3.44Å
213S84.8Confident80.5Confident8 Ų857 Ų576%0.05631%0.311CS..Hα-helixtrans-63.8-36178.7700000113.4A209 Y210 I211 V215 A216 V217 V285 W289A209-S213 WeakPolarHBondContact O-CB 3.41Å; A209-S213 PolarHBondContact O-N 2.83Å; A209-S213 PolarHBondContact O-OG 3.04Å; Y210-S213 PolarHBondContact O-N 2.86Å; Y210-S213 VanDerWaalsContact O-N 3.12Å; Y210-S213 PolarHBondContact O-OG 2.96Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 3.45Å; S213-V215 VanDerWaalsContact C-N 3.35Å; S213-A216 PolarHBondContact O-N 2.78Å; S213-V217 WeakPolarHBondContact O-CB 3.45Å; S213-V217 VanDerWaalsContact O-CG2 3.28Å; S213-V217 WeakPolarHBondContact O-CG2 3.18Å; S213-V217 PolarHBondContact O-N 3.25Å; S213-V285 WeakPolarHBondContact OG-CG1 3.37Å; S213-W289 PolarHBondContact OG-NE1 3.47Å
214V89.1Confident82.4Confident22 Ų2252.6 Ų52.613%0.13328%0.282CS..Hα-helixtrans-63.9-42.5172.6173.80000110.4Y210 I211 L212 S218 V282 V285Y210-V214 HydrophobicContact CD1-CG2 4.43Å; Y210-V214 HydrophobicContact CD2-CG2 4.44Å; Y210-V214 HydrophobicContact CE1-CG2 3.99Å; Y210-V214 HydrophobicContact CE2-CG2 4Å; Y210-V214 WeakPolarHBondContact O-CG2 3.42Å; Y210-V214 PolarHBondContact O-N 3.5Å; I211-V214 PolarHBondContact O-N 2.86Å; I211-V214 VanDerWaalsContact O-N 3.17Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.05Å; V214-S218 WeakPolarHBondContact O-CB 3.35Å; V214-S218 PolarHBondContact O-N 2.71Å; V214-S218 PolarHBondContact O-OG 3.14Å; V214-V282 HydrophobicContact CG1-CG2 3.84Å; V214-V285 HydrophobicContact CG2-CB 4.07Å; V214-V285 HydrophobicContact CG2-CG1 3.77Å; V214-V285 HydrophobicContact CG2-CG2 4.48Å
215V88.9Confident84.6Confident85 Ų8544.4 Ų44.452%0.51525%0.246SC..Hα-helixtrans-64.1-45.9177.4173.40000111.2I211 L212 S213 S218 A219I211-V215 HydrophobicContact CG2-CG2 4.45Å; I211-V215 WeakPolarHBondContact O-CG2 3.41Å; I211-V215 PolarHBondContact O-N 2.87Å; L212-V215 WeakPolarHBondContact O-CB 3.3Å; L212-V215 PolarHBondContact O-N 3.47Å; L212-V215 VanDerWaalsContact O-N 3.1Å; S213-V215 VanDerWaalsContact C-N 3.35Å; V215-S218 PolarHBondContact O-N 3.33Å; V215-A219 VanDerWaalsContact O-CB 3.28Å; V215-A219 WeakPolarHBondContact O-CB 3.37Å; V215-A219 PolarHBondContact O-N 2.97Å
216A88.8Confident86.4Confident2 Ų243.1 Ų43.12%0.01724%0.242CC..Hα-helixtrans-59.4-50.5175.700000112.2M184 A187 M191 L212 S213 S218 A219 A220M184-A216 HydrophobicContact SD-CB 4.49Å; A187-A216 HydrophobicContact CB-CB 3.72Å; M191-A216 HydrophobicContact CE-CB 3.37Å; M191-A216 HydrophobicContact SD-CB 4.49Å; L212-A216 PolarHBondContact O-N 3.44Å; S213-A216 PolarHBondContact O-N 2.78Å; A216-S218 VanDerWaalsContact C-N 3.29Å; A216-S218 PolarHBondContact O-N 3.26Å; A216-A219 PolarHBondContact O-N 3.45Å; A216-A220 WeakPolarHBondContact O-CB 3.38Å; A216-A220 PolarHBondContact O-N 3.32Å
217V90.8Very high87.8Confident22 Ų2237.8 Ų37.813%0.13322%0.223CC..Hα-helixtrans-63.5-40.2-179175.10000110.3M184 S213 A221 V285M184-V217 HydrophobicContact CE-CG2 3.85Å; M184-V217 HydrophobicContact SD-CG2 3.99Å; S213-V217 WeakPolarHBondContact O-CB 3.45Å; S213-V217 VanDerWaalsContact O-CG2 3.28Å; S213-V217 WeakPolarHBondContact O-CG2 3.18Å; S213-V217 PolarHBondContact O-N 3.25Å; V217-A221 WeakPolarHBondContact O-CB 3.23Å; V217-A221 PolarHBondContact O-N 3.5Å; V217-V285 HydrophobicContact CB-CG2 4.17Å; V217-V285 HydrophobicContact CG1-CG2 4.46Å; V217-V285 HydrophobicContact CG2-CG2 3.83Å
218S91.1Very high88.7Confident13 Ų1336.6 Ų36.69%0.09121%0.207CC..Hα-helixtrans-64.9-45.7176.6-62.80000112.1V214 V215 A216 A221 I222 S281V214-S218 WeakPolarHBondContact O-CB 3.35Å; V214-S218 PolarHBondContact O-N 2.71Å; V214-S218 PolarHBondContact O-OG 3.14Å; V215-S218 PolarHBondContact O-N 3.33Å; A216-S218 VanDerWaalsContact C-N 3.29Å; A216-S218 PolarHBondContact O-N 3.26Å; S218-A221 PolarHBondContact O-N 3.4Å; S218-I222 VanDerWaalsContact O-CG1 3.29Å; S218-I222 WeakPolarHBondContact O-CG1 3.36Å; S218-I222 PolarHBondContact O-N 3.48Å; S218-S281 PolarHBondContact OG-OG 3.46Å; S218-S281 VanDerWaalsContact OG-OG 3.06Å
219A90.8Very high89.4Confident39 Ų3932 Ų3232%0.32219%0.185SC..Hα-helixtrans-60.6-47.9176.800000111.2V215 A216 A221 I222 V223V215-A219 VanDerWaalsContact O-CB 3.28Å; V215-A219 WeakPolarHBondContact O-CB 3.37Å; V215-A219 PolarHBondContact O-N 2.97Å; A216-A219 PolarHBondContact O-N 3.45Å; A219-A221 VanDerWaalsContact C-N 3.27Å; A219-A221 PolarHBondContact O-N 3.19Å; A219-I222 PolarHBondContact O-N 3.39Å; A219-I222 VanDerWaalsContact O-N 3.16Å; A219-V223 WeakPolarHBondContact O-CG2 3.14Å; A219-V223 PolarHBondContact O-N 2.73Å
220A91Very high90.1Very high0 Ų031.7 Ų31.70%018%0.181CC..Hα-helixtrans-58.8-40.2175.300000112.2F180 T183 M184 A216 V223 S224F180-A220 HydrophobicContact CD2-CB 3.91Å; F180-A220 HydrophobicContact CE2-CB 3.79Å; F180-A220 HydrophobicContact CZ-CB 4.48Å; T183-A220 HydrophobicContact CG2-CB 3.95Å; M184-A220 HydrophobicContact CG-CB 3.75Å; M184-A220 HydrophobicContact SD-CB 3.68Å; A216-A220 WeakPolarHBondContact O-CB 3.38Å; A216-A220 PolarHBondContact O-N 3.32Å; A220-V223 PolarHBondContact O-N 3.36Å; A220-S224 WeakPolarHBondContact O-CB 3.49Å; A220-S224 PolarHBondContact O-N 2.87Å; A220-S224 PolarHBondContact O-OG 3.36Å
221A90.7Very high90.5Very high5 Ų530 Ų304%0.04117%0.174CC..Hα-helixtrans-70.3-31.3179.100000112.9V217 S218 A219 S224 Q225 N277V217-A221 WeakPolarHBondContact O-CB 3.23Å; V217-A221 PolarHBondContact O-N 3.5Å; S218-A221 PolarHBondContact O-N 3.4Å; A219-A221 VanDerWaalsContact C-N 3.27Å; A219-A221 PolarHBondContact O-N 3.19Å; A221-S224 PolarHBondContact O-OG 2.8Å; A221-Q225 PolarHBondContact O-N 3.11Å; A221-Q225 PolarHBondContact O-OE1 3.48Å; A221-N277 VanDerWaalsContact CB-ND2 3.26Å; A221-N277 WeakPolarHBondContact CB-ND2 3.18Å; A221-N277 PolarHBondContact O-ND2 3.32Å
222I92.2Very high90.7Very high75 Ų7526 Ų2639%0.38515%0.154SC..Hα-helixtrans-71.6-44.7173.8-69.5164.6000110.6S218 A219 S224 Q225 V278S218-I222 VanDerWaalsContact O-CG1 3.29Å; S218-I222 WeakPolarHBondContact O-CG1 3.36Å; S218-I222 PolarHBondContact O-N 3.48Å; A219-I222 PolarHBondContact O-N 3.39Å; A219-I222 VanDerWaalsContact O-N 3.16Å; I222-S224 VanDerWaalsContact C-N 3.34Å; I222-S224 PolarHBondContact O-N 2.61Å; I222-Q225 WeakPolarHBondContact O-CB 3.32Å; I222-Q225 PolarHBondContact O-N 3.27Å; I222-Q225 VanDerWaalsContact O-N 3.16Å; I222-V278 HydrophobicContact CD1-CG2 4.28Å; I222-V278 HydrophobicContact CG1-CG2 4.42Å
223V92.1Very high91Very high80 Ų8023.5 Ų23.549%0.48514%0.14SC..Hα-helixtrans-64.8-39.4178.7175.40000111.1I179 T183 A219 A220 Q225 P226I179-V223 HydrophobicContact CG2-CG1 3.84Å; T183-V223 HydrophobicContact CG2-CB 4.15Å; T183-V223 HydrophobicContact CG2-CG1 4.5Å; T183-V223 HydrophobicContact CG2-CG2 4.03Å; A219-V223 WeakPolarHBondContact O-CG2 3.14Å; A219-V223 PolarHBondContact O-N 2.73Å; A220-V223 PolarHBondContact O-N 3.36Å; V223-Q225 VanDerWaalsContact C-N 3.26Å; V223-Q225 PolarHBondContact O-N 3.1Å; V223-P226 WeakPolarHBondContact O-CD 3.36Å
224S91.5Very high91.2Very high2 Ų223.2 Ų23.21%0.01414%0.138CC..THydrogen-bonded Turntrans-79.7-4.2176.575.10000114A220 A221 I222 V227 D228A220-S224 WeakPolarHBondContact O-CB 3.49Å; A220-S224 PolarHBondContact O-N 2.87Å; A220-S224 PolarHBondContact O-OG 3.36Å; A221-S224 PolarHBondContact O-OG 2.8Å; I222-S224 VanDerWaalsContact C-N 3.34Å; I222-S224 PolarHBondContact O-N 2.61Å; S224-V227 PolarHBondContact O-N 3.3Å; S224-D228 PolarHBondContact O-N 3.47Å
225Q92.9Very high91.2Very high1 Ų122.2 Ų22.21%0.00513%0.132CC..Hα-helixtrans-59-45.3-171.3-166.576.51100114A221 I222 V223 V227 D228 V229 F271 H272 G273 N277A221-Q225 PolarHBondContact O-N 3.11Å; A221-Q225 PolarHBondContact O-OE1 3.48Å; I222-Q225 WeakPolarHBondContact O-CB 3.32Å; I222-Q225 PolarHBondContact O-N 3.27Å; I222-Q225 VanDerWaalsContact O-N 3.16Å; V223-Q225 VanDerWaalsContact C-N 3.26Å; V223-Q225 PolarHBondContact O-N 3.1Å; Q225-V227 VanDerWaalsContact C-N 3.3Å; Q225-V227 PolarHBondContact O-N 2.66Å; Q225-D228 WeakPolarHBondContact O-CB 3.42Å; Q225-D228 PolarHBondContact O-N 2.94Å; Q225-V229 HydrophobicContact CG-CG2 4.49Å; Q225-V229 WeakPolarHBondContact O-CG2 3.25Å; Q225-V229 PolarHBondContact O-N 3.48Å; Q225-F271 HydrophobicContact CB-CD1 4.39Å; Q225-F271 HydrophobicContact CG-CD1 4.4Å; Q225-H272 PolarHBondContact NE2-O 3.37Å; Q225-G273 PolarHBondContact NE2-O 3.36Å; Q225-N277 PolarHBondContact OE1-ND2 3.05Å
226P93.3Very high91.1Very high36 Ų3618.1 Ų18.123%0.23411%0.107CC..Hα-helixtrans-60.3-41.9-178.2-25.536.9000112.3V223 V229 I230 F270 F271V223-P226 WeakPolarHBondContact O-CD 3.36Å; P226-V229 PolarHBondContact O-N 3.26Å; P226-I230 VanDerWaalsContact O-CD1 3.3Å; P226-I230 WeakPolarHBondContact O-CD1 3.42Å; P226-I230 VanDerWaalsContact O-CG1 3.31Å; P226-I230 WeakPolarHBondContact O-CG1 3.14Å; P226-I230 PolarHBondContact O-N 3.45Å; P226-F270 HydrophobicContact CB-CB 4.08Å; P226-F270 HydrophobicContact CB-CD1 4.34Å; P226-F270 HydrophobicContact CG-CB 4.45Å; P226-F271 HydrophobicContact CG-CE1 4.45Å; P226-F271 HydrophobicContact CG-CZ 4.18Å
227V93.1Very high90.8Very high27 Ų2718.2 Ų18.216%0.16411%0.108CC..Hα-helixtrans-69.5-40.7178.3-178.60000110.7P172 I175 I179 S224 Q225 V229 I230 R231P172-V227 HydrophobicContact CB-CG1 4.14Å; P172-V227 WeakPolarHBondContact O-CG1 3.37Å; I175-V227 HydrophobicContact CB-CG1 4.38Å; I175-V227 HydrophobicContact CG2-CG1 4.27Å; I175-V227 HydrophobicContact CG2-CG2 4.46Å; I179-V227 HydrophobicContact CD1-CB 4.45Å; I179-V227 HydrophobicContact CD1-CG2 3.61Å; S224-V227 PolarHBondContact O-N 3.3Å; Q225-V227 VanDerWaalsContact C-N 3.3Å; Q225-V227 PolarHBondContact O-N 2.66Å; V227-V229 VanDerWaalsContact C-N 3.34Å; V227-V229 PolarHBondContact O-N 2.88Å; V227-I230 PolarHBondContact O-N 3.3Å; V227-R231 VanDerWaalsContact O-CB 3.27Å; V227-R231 WeakPolarHBondContact O-CB 3.35Å; V227-R231 PolarHBondContact O-N 2.98Å
228D92.3Very high90Very high18 Ų1817.3 Ų17.310%0.09610%0.102CC..Hα-helixtrans-59.8-42.1173.5-88.5-4000112.1K36 S224 Q225 R231 H232K36-D228 IonicContact NZ-OD2 3.22Å; K36-D228 PolarHBondContact NZ-OD2 3.49Å; S224-D228 PolarHBondContact O-N 3.47Å; Q225-D228 WeakPolarHBondContact O-CB 3.42Å; Q225-D228 PolarHBondContact O-N 2.94Å; D228-R231 WeakPolarHBondContact O-CB 3.26Å; D228-R231 PolarHBondContact O-N 3.21Å; D228-H232 PolarHBondContact O-N 2.98Å; D228-H232 PolarHBondContact O-ND1 3.24Å
229V92.1Very high88.8Confident0 Ų021.2 Ų21.20%013%0.128CC..Hα-helixtrans-60.6-50.5177.4167.30000110.4Q40 Q225 P226 V227 R231 H232 K233 F270Q40-V229 HydrophobicContact CB-CG2 4.22Å; Q40-V229 HydrophobicContact CG-CG2 3.85Å; Q225-V229 HydrophobicContact CG-CG2 4.49Å; Q225-V229 WeakPolarHBondContact O-CG2 3.25Å; Q225-V229 PolarHBondContact O-N 3.48Å; P226-V229 PolarHBondContact O-N 3.26Å; V227-V229 VanDerWaalsContact C-N 3.34Å; V227-V229 PolarHBondContact O-N 2.88Å; V229-R231 VanDerWaalsContact C-N 3.3Å; V229-R231 PolarHBondContact O-N 3.39Å; V229-H232 PolarHBondContact O-N 2.96Å; V229-K233 HydrophobicContact CG1-CD 4.15Å; V229-K233 HydrophobicContact CG1-CG 4.49Å; V229-K233 WeakPolarHBondContact O-CG 3.4Å; V229-K233 PolarHBondContact O-N 3.26Å; V229-F270 VanDerWaalsContact CG2-O 3.29Å; V229-F270 WeakPolarHBondContact CG2-O 3.33Å
230I92Very high87.3Confident13 Ų1319.9 Ų19.97%0.06712%0.116CC..Hα-helixtrans-61.4-43.1179.6-60.7154.5000110.3P226 V227 H232 K233 V234 V254 A257 I258 F270P226-I230 VanDerWaalsContact O-CD1 3.3Å; P226-I230 WeakPolarHBondContact O-CD1 3.42Å; P226-I230 VanDerWaalsContact O-CG1 3.31Å; P226-I230 WeakPolarHBondContact O-CG1 3.14Å; P226-I230 PolarHBondContact O-N 3.45Å; V227-I230 PolarHBondContact O-N 3.3Å; I230-H232 PolarHBondContact O-N 3.46Å; I230-K233 PolarHBondContact O-N 3.32Å; I230-V234 HydrophobicContact CG2-CG2 4.36Å; I230-V234 WeakPolarHBondContact O-CG2 3.34Å; I230-V234 PolarHBondContact O-N 2.94Å; I230-V254 HydrophobicContact CG2-CG1 3.85Å; I230-A257 HydrophobicContact CG2-CB 4.22Å; I230-I258 HydrophobicContact CD1-CD1 4.02Å; I230-I258 HydrophobicContact CD1-CG1 3.47Å; I230-I258 VanDerWaalsContact CD1-CG1 3.47Å; I230-I258 HydrophobicContact CG1-CG1 3.96Å; I230-I258 HydrophobicContact CG2-CG1 4.28Å; I230-F270 HydrophobicContact CD1-CD1 4.32Å; I230-F270 HydrophobicContact CD1-CE1 4.05Å; I230-F270 HydrophobicContact CG1-CD1 4.32Å; I230-F270 HydrophobicContact CG1-CE1 4.08Å
231R92Very high86.1Confident25 Ų2520.7 Ų20.79%0.09412%0.121CC..Hα-helixtrans-53.7-53.3175.7-170.4-158.9169144.95.4110.8D128 P172 S173 V227 D228 V229 K233 V234 M235D128-R231 IonicContact OD2-CZ 3.38Å; D128-R231 IonicContact OD2-NH2 3.49Å; D128-R231 PolarHBondContact OD2-NH2 2.96Å; P172-R231 HydrophobicContact CB-CB 4.05Å; P172-R231 HydrophobicContact CB-CG 4.47Å; P172-R231 HydrophobicContact CG-CB 4.2Å; P172-R231 HydrophobicContact CG-CG 4.34Å; S173-R231 WeakPolarHBondContact OG-CD 3.42Å; S173-R231 WeakPolarHBondContact OG-CG 3.35Å; S173-R231 PolarHBondContact OG-NE 3.42Å; S173-R231 PolarHBondContact OG-NH2 3.48Å; V227-R231 VanDerWaalsContact O-CB 3.27Å; V227-R231 WeakPolarHBondContact O-CB 3.35Å; V227-R231 PolarHBondContact O-N 2.98Å; D228-R231 WeakPolarHBondContact O-CB 3.26Å; D228-R231 PolarHBondContact O-N 3.21Å; V229-R231 VanDerWaalsContact C-N 3.3Å; V229-R231 PolarHBondContact O-N 3.39Å; R231-K233 PolarHBondContact O-N 3.49Å; R231-V234 PolarHBondContact O-N 3.19Å; R231-M235 HydrophobicContact CB-CE 4.49Å; R231-M235 HydrophobicContact CG-CE 3.64Å; R231-M235 HydrophobicContact CG-CG 4.42Å; R231-M235 HydrophobicContact CG-SD 3.92Å; R231-M235 PolarHBondContact NE-SD 3.29Å; R231-M235 WeakPolarHBondContact O-CB 3.32Å; R231-M235 VanDerWaalsContact O-CG 3.23Å; R231-M235 WeakPolarHBondContact O-CG 3.47Å; R231-M235 PolarHBondContact O-N 2.9Å
232H91.7Very high84.5Confident20 Ų2022.7 Ų22.79%0.09313%0.133CC..Hα-helixtrans-69.5-33.3-177.3-69.189.9000112.9Q40 D228 V229 I230 M235 A236Q40-H232 HydrophobicContact CB-CB 3.93Å; Q40-H232 PolarHBondContact OE1-CE1 3.14Å; Q40-H232 PolarHBondContact OE1-ND1 3.37Å; D228-H232 PolarHBondContact O-N 2.98Å; D228-H232 PolarHBondContact O-ND1 3.24Å; V229-H232 PolarHBondContact O-N 2.96Å; I230-H232 PolarHBondContact O-N 3.46Å; H232-M235 HydrophobicContact CB-CE 4.49Å; H232-A236 WeakPolarHBondContact O-CB 3.45Å; H232-A236 PolarHBondContact O-N 3.1Å
233K89.8Confident83.1Confident1 Ų124 Ų240%0.00414%0.141CC..Hα-helixtrans-62.4-45.6172.4-70.8-175.6179.5-164.60112.1Q40 V229 I230 R231 S237 V249 T261 N265Q40-K233 VanDerWaalsContact O-CG 3.3Å; Q40-K233 WeakPolarHBondContact O-CG 3.32Å; V229-K233 HydrophobicContact CG1-CD 4.15Å; V229-K233 HydrophobicContact CG1-CG 4.49Å; V229-K233 WeakPolarHBondContact O-CG 3.4Å; V229-K233 PolarHBondContact O-N 3.26Å; I230-K233 PolarHBondContact O-N 3.32Å; R231-K233 PolarHBondContact O-N 3.49Å; K233-S237 WeakPolarHBondContact O-CB 3.47Å; K233-S237 PolarHBondContact O-N 3.05Å; K233-S237 PolarHBondContact O-OG 3.32Å; K233-V249 HydrophobicContact CD-CB 4.33Å; K233-V249 HydrophobicContact CD-CG2 4.23Å; K233-T261 WeakPolarHBondContact CD-OG1 3.47Å; K233-T261 PolarHBondContact NZ-OG1 2.96Å; K233-N265 PolarHBondContact NZ-ND2 3.32Å
234V90.2Very high81.5Confident1 Ų122.1 Ų22.11%0.00613%0.13CC..Hα-helixtrans-70.9-39.1178.9176.50000111.6I230 R231 S237 V252 A257I230-V234 HydrophobicContact CG2-CG2 4.36Å; I230-V234 WeakPolarHBondContact O-CG2 3.34Å; I230-V234 PolarHBondContact O-N 2.94Å; R231-V234 PolarHBondContact O-N 3.19Å; V234-S237 PolarHBondContact O-N 3.47Å; V234-V252 WeakPolarHBondContact CG1-O 3.47Å; V234-A257 HydrophobicContact CG2-CB 3.77Å
235M88.4Confident80.1Confident1 Ų122 Ų221%0.00513%0.129CC..Hα-helixtrans-67.8-37.2177.2-72.8-173-50.300112.7D128 V129 T132 R133 R168 R231 H232D128-M235 HydrophobicContact CB-SD 4.46Å; V129-M235 HydrophobicContact CG2-CB 4.46Å; V129-M235 HydrophobicContact CG2-CG 4.08Å; V129-M235 HydrophobicContact CG2-SD 4.25Å; T132-M235 HydrophobicContact CG2-CB 4.04Å; R133-M235 PolarHBondContact NE-O 2.99Å; R133-M235 VanDerWaalsContact NE-O 3.16Å; R168-M235 WeakPolarHBondContact O-CG 3.21Å; R231-M235 HydrophobicContact CB-CE 4.49Å; R231-M235 HydrophobicContact CG-CE 3.64Å; R231-M235 HydrophobicContact CG-CG 4.42Å; R231-M235 HydrophobicContact CG-SD 3.92Å; R231-M235 PolarHBondContact NE-SD 3.29Å; R231-M235 WeakPolarHBondContact O-CB 3.32Å; R231-M235 VanDerWaalsContact O-CG 3.23Å; R231-M235 WeakPolarHBondContact O-CG 3.47Å; R231-M235 PolarHBondContact O-N 2.9Å; H232-M235 HydrophobicContact CB-CE 4.49Å
236A86.4Confident78.8Confident0 Ų025.2 Ų25.20%014%0.141CC..Hα-helixtrans-75-28.6177.300000112.7T132 V136 H232 S238 T247T132-A236 HydrophobicContact CG2-CB 3.97Å; V136-A236 HydrophobicContact CG1-CB 3.95Å; V136-A236 HydrophobicContact CG2-CB 4.09Å; H232-A236 WeakPolarHBondContact O-CB 3.45Å; H232-A236 PolarHBondContact O-N 3.1Å; A236-S238 PolarHBondContact O-N 2.95Å; A236-S238 VanDerWaalsContact O-N 3.15Å; A236-T247 HydrophobicContact CB-CG2 3.36Å
237S81.8Confident77.8Confident4 Ų423.8 Ų23.83%0.02813%0.132CC..  trans-67.1110.8-179.6-690000111.5R168 K233 V234 V249 T251R168-S237 PolarHBondContact NH1-O 2.94Å; R168-S237 VanDerWaalsContact NH1-O 3.08Å; K233-S237 WeakPolarHBondContact O-CB 3.47Å; K233-S237 PolarHBondContact O-N 3.05Å; K233-S237 PolarHBondContact O-OG 3.32Å; V234-S237 PolarHBondContact O-N 3.47Å; S237-V249 PolarHBondContact OG-O 3.09Å; S237-T251 WeakPolarHBondContact CB-O 3.45Å; S237-T251 PolarHBondContact OG-O 3.49Å
238S73.8Confident76.6Confident2 Ų224.7 Ų24.71%0.01414%0.136CC..  trans-149.2119.3-176.5179.80000110.9R133 E161 A236 A240 L241 T244R133-S238 PolarHBondContact NH1-OG 3.39Å; E161-S238 VanDerWaalsContact OE1-CA 3.27Å; E161-S238 WeakPolarHBondContact OE1-CA 3.44Å; E161-S238 VanDerWaalsContact OE1-CB 3.24Å; E161-S238 WeakPolarHBondContact OE1-CB 3.44Å; E161-S238 PolarHBondContact OE1-OG 3.3Å; A236-S238 PolarHBondContact O-N 2.95Å; A236-S238 VanDerWaalsContact O-N 3.15Å; S238-A240 PolarHBondContact O-N 3.23Å; S238-A240 VanDerWaalsContact O-N 3.14Å; S238-A240 VanDerWaalsContact OG-CB 3.31Å; S238-A240 WeakPolarHBondContact OG-CB 3.43Å; S238-A240 PolarHBondContact OG-N 3.12Å; S238-L241 PolarHBondContact O-N 3.01Å; S238-L241 VanDerWaalsContact O-N 3.14Å; S238-T244 PolarHBondContact N-O 2.96Å; S238-T244 CarbonylContact O-C 3.4Å; S238-T244 WeakPolarHBondContact O-CA 3.34Å
239P65.9Low75.6Confident96 Ų9623.9 Ų23.962%0.62313%0.132SC*.THydrogen-bonded Turntrans-58.4-20.1170.722.4-35.1000113.6E161 L241E161-P239 WeakPolarHBondContact OE1-CD 3.32Å; P239-L241 PolarHBondContact O-N 3.16Å
240A60.5Low74.9Confident10 Ų1028.9 Ų28.98%0.08315%0.154CC..THydrogen-bonded Turntrans-67.7-17.3176.800000114.3K156 Q160 S238K156-A240 WeakPolarHBondContact CE-O 3.46Å; K156-A240 PolarHBondContact NZ-O 2.86Å; Q160-A240 HydrophobicContact CB-CB 4.05Å; S238-A240 PolarHBondContact O-N 3.23Å; S238-A240 VanDerWaalsContact O-N 3.14Å; S238-A240 VanDerWaalsContact OG-CB 3.31Å; S238-A240 WeakPolarHBondContact OG-CB 3.43Å; S238-A240 PolarHBondContact OG-N 3.12Å
241L64.7Low74.3Confident18 Ų1828.6 Ų28.69%0.09415%0.152CC..SBendtrans-100.9142.7-176.7-63.1178.8000110.5R133 V136 C137 S238 P239 N243 T244R133-L241 HydrophobicContact CB-CD1 4.23Å; R133-L241 HydrophobicContact CG-CD1 4.15Å; V136-L241 HydrophobicContact CG2-CD1 4.21Å; C137-L241 WeakPolarHBondContact SG-CD2 3.28Å; S238-L241 PolarHBondContact O-N 3.01Å; S238-L241 VanDerWaalsContact O-N 3.14Å; P239-L241 PolarHBondContact O-N 3.16Å; L241-N243 PolarHBondContact O-N 3.06Å; L241-T244 VanDerWaalsContact O-CA 3.29Å; L241-T244 WeakPolarHBondContact O-CA 3.16Å; L241-T244 PolarHBondContact O-N 3.31Å
242P58.6Low73.7Confident47 Ų4730.9 Ų30.931%0.30517%0.169SC..G310 helixtrans-55.9140.1171.624.7-33.4000109.9L143 T244 G245 Y246L143-P242 HydrophobicContact CD1-CG 3.61Å; P242-T244 PolarHBondContact O-N 3.41Å; P242-T244 VanDerWaalsContact O-N 3.08Å; P242-G245 PolarHBondContact O-N 3.34Å; P242-Y246 HydrophobicContact CG-CE2 4.02Å
243N61.8Low73.4Confident102 Ų10232.7 Ų32.755%0.54518%0.184SC..G310 helixtrans51.827.8-171.8-65.6-31.2000114.4L241 G245 Y246 K250L241-N243 PolarHBondContact O-N 3.06Å; N243-G245 PolarHBondContact O-N 2.85Å; N243-Y246 HydrophobicContact CB-CD1 4.42Å; N243-Y246 HydrophobicContact CB-CE1 4.47Å; N243-Y246 PolarHBondContact O-N 3.48Å; N243-K250 WeakPolarHBondContact O-CE 3.33Å; N243-K250 PolarHBondContact O-NZ 2.97Å
244T59Low73.4Confident40 Ų4034.4 Ų34.425%0.24519%0.194CC..G310 helixtrans52.733.9-177.168.70000115S238 L241 P242 K250S238-T244 PolarHBondContact N-O 2.96Å; S238-T244 CarbonylContact O-C 3.4Å; S238-T244 WeakPolarHBondContact O-CA 3.34Å; L241-T244 VanDerWaalsContact O-CA 3.29Å; L241-T244 WeakPolarHBondContact O-CA 3.16Å; L241-T244 PolarHBondContact O-N 3.31Å; P242-T244 PolarHBondContact O-N 3.41Å; P242-T244 VanDerWaalsContact O-N 3.08Å; T244-K250 HydrophobicContact CG2-CD 4.41Å; T244-K250 WeakPolarHBondContact OG1-CD 3.47Å; T244-K250 WeakPolarHBondContact OG1-CE 3.34Å; T244-K250 WeakPolarHBondContact OG1-CG 3.38Å
245G62.1Low73.4Confident0 Ų042.6 Ų42.60%023%0.23CC..THydrogen-bonded Turntrans101.414.7175.100000115.2P242 N243 T247P242-G245 PolarHBondContact O-N 3.34Å; N243-G245 PolarHBondContact O-N 2.85Å; G245-T247 PolarHBondContact O-N 3.25Å
246Y65.2Low73.4Confident68 Ų6846.2 Ų46.227%0.26725%0.247SC..SBendtrans5322.2-176.1-61.3-93.6000113.3M43 P138 P242 N243M43-Y246 WeakPolarHBondContact CA-O 3.34Å; P138-Y246 HydrophobicContact CG-CD2 4.09Å; P138-Y246 HydrophobicContact CG-CE1 4.28Å; P138-Y246 HydrophobicContact CG-CE2 3.46Å; P138-Y246 VanDerWaalsContact CG-CE2 3.46Å; P242-Y246 HydrophobicContact CG-CE2 4.02Å; N243-Y246 HydrophobicContact CB-CD1 4.42Å; N243-Y246 HydrophobicContact CB-CE1 4.47Å; N243-Y246 PolarHBondContact O-N 3.48Å
247T73.1Confident73.4Confident7 Ų746.2 Ų46.24%0.04325%0.247CC..  trans-81.8141.1177.455.40000109.3S41 A236 G245 V249S41-T247 WeakPolarHBondContact O-CG2 3.32Å; A236-T247 HydrophobicContact CB-CG2 3.36Å; G245-T247 PolarHBondContact O-N 3.25Å; T247-V249 PolarHBondContact O-N 2.99Å; T247-V249 PolarHBondContact OG1-O 3.12Å; T247-V249 VanDerWaalsContact OG1-O 3.07Å
248D67.6Low73.9Confident46 Ų4649 Ų4925%0.24626%0.261CS..SBendtrans-60.8-31172.2-173.244.5000112.1G42 R47 I264 N265G42-D248 PolarHBondContact O-N 3.49Å; R47-D248 IonicContact CZ-OD2 3.47Å; R47-D248 IonicContact NH1-OD1 3.91Å; R47-D248 PolarHBondContact NH1-OD1 3.39Å; R47-D248 VanDerWaalsContact NH1-OD1 3.14Å; R47-D248 IonicContact NH1-OD2 3.18Å; R47-D248 PolarHBondContact NH1-OD2 3.38Å; D248-I264 WeakPolarHBondContact OD1-CG2 2.9Å; D248-I264 WeakPolarHBondContact OD2-CG2 3.49Å; D248-N265 PolarHBondContact OD2-ND2 3.46Å
249V71.7Confident74.7Confident1 Ų151.8 Ų51.81%0.00628%0.284CS..SBendtrans-119.7112.6-178.6-177.70000109.3K233 S237 T247 T251 A257 R260 I264K233-V249 HydrophobicContact CD-CB 4.33Å; K233-V249 HydrophobicContact CD-CG2 4.23Å; S237-V249 PolarHBondContact OG-O 3.09Å; T247-V249 PolarHBondContact O-N 2.99Å; T247-V249 PolarHBondContact OG1-O 3.12Å; T247-V249 VanDerWaalsContact OG1-O 3.07Å; V249-T251 HydrophobicContact CG1-CG2 4.07Å; V249-T251 PolarHBondContact O-N 3.48Å; V249-A257 HydrophobicContact CG1-CB 4.39Å; V249-R260 HydrophobicContact CB-CB 4.48Å; V249-R260 HydrophobicContact CG1-CB 3.65Å; V249-R260 HydrophobicContact CG1-CG 4.41Å; V249-R260 HydrophobicContact CG2-CB 4.01Å; V249-I264 HydrophobicContact CG2-CD1 4.2Å
250K77.3Confident75.8Confident105 Ų10552.1 Ų52.146%0.45727%0.273SS..  trans-98.270.3-176.2-53.4-179.1165.1-174.10110.9N243 T244N243-K250 WeakPolarHBondContact O-CE 3.33Å; N243-K250 PolarHBondContact O-NZ 2.97Å; T244-K250 HydrophobicContact CG2-CD 4.41Å; T244-K250 WeakPolarHBondContact OG1-CD 3.47Å; T244-K250 WeakPolarHBondContact OG1-CE 3.34Å; T244-K250 WeakPolarHBondContact OG1-CG 3.38Å
251T78.7Confident77.1Confident7 Ų751.6 Ų51.64%0.04327%0.269CS..  trans-142.4149.3-176.465.40000112.1S237 V249 E256 A257 R260S237-T251 WeakPolarHBondContact CB-O 3.45Å; S237-T251 PolarHBondContact OG-O 3.49Å; V249-T251 HydrophobicContact CG1-CG2 4.07Å; V249-T251 PolarHBondContact O-N 3.48Å; T251-E256 HydrophobicContact CG2-CB 4.21Å; T251-E256 HydrophobicContact CG2-CG 3.77Å; T251-E256 WeakPolarHBondContact CG2-OE2 3.35Å; T251-A257 WeakPolarHBondContact OG1-CA 3.46Å; T251-A257 PolarHBondContact OG1-N 3.07Å; T251-R260 VanDerWaalsContact CG2-CZ 3.42Å
252V78.7Confident78.3Confident72 Ų7257.8 Ų57.844%0.43629%0.292SS..SBendtrans-94.5-28.4173.6-1750000111R168 V234R168-V252 HydrophobicContact CG-CG1 4.26Å; V234-V252 WeakPolarHBondContact CG1-O 3.47Å
253S86.3Confident79.8Confident58 Ų5866.3 Ų66.341%0.40632%0.318SS..  trans-75.8131.1179.3-177.10000111.3E256 A257S253-E256 PolarHBondContact O-N 3.01Å; S253-A257 WeakPolarHBondContact O-CB 3.07Å; S253-A257 PolarHBondContact O-N 3.4Å
254V89.1Confident80.9Confident38 Ų3864.8 Ų64.823%0.2331%0.309CS..Hα-helixtrans-64.5-43.9-179.7179.90000111P172 I230 E256 A257 I258P172-V254 HydrophobicContact CG-CG2 4.24Å; I230-V254 HydrophobicContact CG2-CG1 3.85Å; V254-E256 VanDerWaalsContact C-N 3.35Å; V254-E256 PolarHBondContact O-N 3.11Å; V254-A257 WeakPolarHBondContact O-CB 3.34Å; V254-A257 PolarHBondContact O-N 3.24Å; V254-I258 HydrophobicContact CG1-CD1 4.13Å; V254-I258 VanDerWaalsContact O-CG1 3.31Å; V254-I258 WeakPolarHBondContact O-CG1 3.15Å; V254-I258 PolarHBondContact O-N 2.92Å
255F90.4Very high82.1Confident172 Ų17263.9 Ų63.975%0.75430%0.303SS*.Hα-helixtrans-64.1-41.6179.3-66.7-73.3000111.9A257 I258 A259F255-A257 VanDerWaalsContact C-N 3.32Å; F255-I258 WeakPolarHBondContact O-CB 3.39Å; F255-I258 PolarHBondContact O-N 3.4Å; F255-A259 PolarHBondContact O-N 3.01Å
256E88.3Confident83.4Confident78 Ų7865.1 Ų65.136%0.36432%0.316SS..Hα-helixtrans-67.9-36.5175.6-159.5-174.3177.300111.4T251 S253 V254 I258 A259 R260T251-E256 HydrophobicContact CG2-CB 4.21Å; T251-E256 HydrophobicContact CG2-CG 3.77Å; T251-E256 WeakPolarHBondContact CG2-OE2 3.35Å; S253-E256 PolarHBondContact O-N 3.01Å; V254-E256 VanDerWaalsContact C-N 3.35Å; V254-E256 PolarHBondContact O-N 3.11Å; E256-I258 VanDerWaalsContact C-N 3.31Å; E256-I258 PolarHBondContact O-N 2.77Å; E256-A259 PolarHBondContact O-N 3.34Å; E256-R260 HydrophobicContact CG-CG 4.39Å; E256-R260 WeakPolarHBondContact O-CB 3.49Å; E256-R260 WeakPolarHBondContact O-CG 3.33Å; E256-R260 PolarHBondContact O-N 2.89Å; E256-R260 IonicContact OE1-CZ 3.43Å; E256-R260 IonicContact OE1-NE 3.96Å; E256-R260 PolarHBondContact OE1-NE 3.21Å; E256-R260 IonicContact OE1-NH2 3.49Å; E256-R260 PolarHBondContact OE1-NH2 3.26Å
257A87.5Confident84.4Confident0 Ų068.5 Ų68.50%033%0.332CS..Hα-helixtrans-62.8-38.5174.900000111.9I230 V234 V249 T251 S253 V254 F255 T261I230-A257 HydrophobicContact CG2-CB 4.22Å; V234-A257 HydrophobicContact CG2-CB 3.77Å; V249-A257 HydrophobicContact CG1-CB 4.39Å; T251-A257 WeakPolarHBondContact OG1-CA 3.46Å; T251-A257 PolarHBondContact OG1-N 3.07Å; S253-A257 WeakPolarHBondContact O-CB 3.07Å; S253-A257 PolarHBondContact O-N 3.4Å; V254-A257 WeakPolarHBondContact O-CB 3.34Å; V254-A257 PolarHBondContact O-N 3.24Å; F255-A257 VanDerWaalsContact C-N 3.32Å; A257-T261 WeakPolarHBondContact O-CB 3.34Å; A257-T261 PolarHBondContact O-N 3.46Å; A257-T261 PolarHBondContact O-OG1 3.03Å
258I91.4Very high85Confident63 Ų6378.2 Ų78.232%0.32337%0.368SS..Hα-helixtrans-64.6-54.4173.9-68.2163.1000110.3I230 V254 F255 E256 R260 T261 Y262 F270I230-I258 HydrophobicContact CD1-CD1 4.02Å; I230-I258 HydrophobicContact CD1-CG1 3.47Å; I230-I258 VanDerWaalsContact CD1-CG1 3.47Å; I230-I258 HydrophobicContact CG1-CG1 3.96Å; I230-I258 HydrophobicContact CG2-CG1 4.28Å; V254-I258 HydrophobicContact CG1-CD1 4.13Å; V254-I258 VanDerWaalsContact O-CG1 3.31Å; V254-I258 WeakPolarHBondContact O-CG1 3.15Å; V254-I258 PolarHBondContact O-N 2.92Å; F255-I258 WeakPolarHBondContact O-CB 3.39Å; F255-I258 PolarHBondContact O-N 3.4Å; E256-I258 VanDerWaalsContact C-N 3.31Å; E256-I258 PolarHBondContact O-N 2.77Å; I258-R260 PolarHBondContact O-N 3.01Å; I258-T261 PolarHBondContact O-N 3.07Å; I258-Y262 PolarHBondContact O-N 2.71Å; I258-F270 HydrophobicContact CG2-CE1 4.45Å; I258-F270 HydrophobicContact CG2-CZ 4.19Å
259A92Very high85.8Confident59 Ų5976 Ų7649%0.48836%0.356SS..Hα-helixtrans-60.3-45.4-176.900000112.3F255 E256 Y262 R263F255-A259 PolarHBondContact O-N 3.01Å; E256-A259 PolarHBondContact O-N 3.34Å; A259-Y262 PolarHBondContact O-N 2.91Å; A259-R263 WeakPolarHBondContact O-CB 3.44Å; A259-R263 PolarHBondContact O-N 3.41Å
260R88.2Confident86.6Confident103 Ų10376.9 Ų76.939%0.38936%0.36SS..Hα-helixtrans-69.2-36.9176.9-70.8-174.9-175.2-1623.7112.3V249 T251 E256 I258 Y262 R263 I264V249-R260 HydrophobicContact CB-CB 4.48Å; V249-R260 HydrophobicContact CG1-CB 3.65Å; V249-R260 HydrophobicContact CG1-CG 4.41Å; V249-R260 HydrophobicContact CG2-CB 4.01Å; T251-R260 VanDerWaalsContact CG2-CZ 3.42Å; E256-R260 HydrophobicContact CG-CG 4.39Å; E256-R260 WeakPolarHBondContact O-CB 3.49Å; E256-R260 WeakPolarHBondContact O-CG 3.33Å; E256-R260 PolarHBondContact O-N 2.89Å; E256-R260 IonicContact OE1-CZ 3.43Å; E256-R260 IonicContact OE1-NE 3.96Å; E256-R260 PolarHBondContact OE1-NE 3.21Å; E256-R260 IonicContact OE1-NH2 3.49Å; E256-R260 PolarHBondContact OE1-NH2 3.26Å; I258-R260 PolarHBondContact O-N 3.01Å; R260-Y262 VanDerWaalsContact C-N 3.31Å; R260-Y262 PolarHBondContact O-N 3.16Å; R260-R263 PolarHBondContact O-N 2.93Å; R260-I264 WeakPolarHBondContact O-CB 3.43Å; R260-I264 VanDerWaalsContact O-CG1 3.32Å; R260-I264 WeakPolarHBondContact O-CG1 3.4Å; R260-I264 PolarHBondContact O-N 2.82Å
261T87.6Confident87.2Confident0 Ų075.3 Ų75.30%035%0.353CS..Hα-helixtrans-60.5-45.2174.6-66.90000110.9K233 A257 I258 N265 F270K233-T261 WeakPolarHBondContact CD-OG1 3.47Å; K233-T261 PolarHBondContact NZ-OG1 2.96Å; A257-T261 WeakPolarHBondContact O-CB 3.34Å; A257-T261 PolarHBondContact O-N 3.46Å; A257-T261 PolarHBondContact O-OG1 3.03Å; I258-T261 PolarHBondContact O-N 3.07Å; T261-N265 WeakPolarHBondContact O-CB 3.23Å; T261-N265 PolarHBondContact O-N 3.33Å; T261-F270 HydrophobicContact CG2-CD1 4.11Å; T261-F270 HydrophobicContact CG2-CD2 4.39Å; T261-F270 HydrophobicContact CG2-CE1 3.81Å; T261-F270 HydrophobicContact CG2-CE2 4.11Å; T261-F270 HydrophobicContact CG2-CG 4.39Å; T261-F270 HydrophobicContact CG2-CZ 3.81Å
262Y90Very high87.6Confident148 Ų14876.6 Ų76.658%0.5836%0.358SS*.Hα-helixtrans-63-44.2176.3-175.7-104.5000111.7I258 A259 R260 I264 G266 F270I258-Y262 PolarHBondContact O-N 2.71Å; A259-Y262 PolarHBondContact O-N 2.91Å; R260-Y262 VanDerWaalsContact C-N 3.31Å; R260-Y262 PolarHBondContact O-N 3.16Å; Y262-I264 PolarHBondContact O-N 3.44Å; Y262-G266 WeakPolarHBondContact O-CA 3.5Å; Y262-G266 PolarHBondContact O-N 3.48Å; Y262-F270 HydrophobicContact CD2-CE2 4.27Å
263R89.3Confident88Confident225 Ų22573.3 Ų73.385%0.84934%0.339SS*.Hα-helixtrans-65.8-38.4179.7-169.9174.5-179.21640.6113.7A259 R260A259-R263 WeakPolarHBondContact O-CB 3.44Å; A259-R263 PolarHBondContact O-N 3.41Å; R260-R263 PolarHBondContact O-N 2.93Å
264I86.1Confident88.1Confident71 Ų7172.5 Ų72.536%0.36433%0.333SS..Hα-helixtrans-89.9-39.9-173.4-62.2167.8000112.8R47 D248 V249 R260 Y262R47-I264 PolarHBondContact NH2-O 3.11Å; D248-I264 WeakPolarHBondContact OD1-CG2 2.9Å; D248-I264 WeakPolarHBondContact OD2-CG2 3.49Å; V249-I264 HydrophobicContact CG2-CD1 4.2Å; R260-I264 WeakPolarHBondContact O-CB 3.43Å; R260-I264 VanDerWaalsContact O-CG1 3.32Å; R260-I264 WeakPolarHBondContact O-CG1 3.4Å; R260-I264 PolarHBondContact O-N 2.82Å; Y262-I264 PolarHBondContact O-N 3.44Å
265N83.8Confident88.2Confident21 Ų2174.7 Ų74.711%0.11235%0.347CS..Hα-helixtrans-109.4-10.6-174.7-61.4-88.9000113.4R47 K233 D248 T261 H272R47-N265 WeakPolarHBondContact CD-OD1 3.45Å; R47-N265 PolarHBondContact NE-OD1 2.96Å; R47-N265 PolarHBondContact NH1-OD1 3.42Å; R47-N265 PolarHBondContact NH2-OD1 2.79Å; K233-N265 PolarHBondContact NZ-ND2 3.32Å; D248-N265 PolarHBondContact OD2-ND2 3.46Å; T261-N265 WeakPolarHBondContact O-CB 3.23Å; T261-N265 PolarHBondContact O-N 3.33Å; N265-H272 PolarHBondContact OD1-CE1 3.4Å; N265-H272 VanDerWaalsContact OD1-CE1 3.29Å
266G88.6Confident88.2Confident26 Ų2666.5 Ų66.527%0.26831%0.311SS..THydrogen-bonded Turntrans62.6-161-165.200000112.4Y262 R268 G269Y262-G266 WeakPolarHBondContact O-CA 3.5Å; Y262-G266 PolarHBondContact O-N 3.48Å; G266-R268 VanDerWaalsContact C-N 3.31Å; G266-R268 PolarHBondContact O-N 3.01Å; G266-G269 PolarHBondContact O-N 3.08Å
267F86.9Confident88.2Confident139 Ų13963.2 Ų63.261%0.6130%0.296SS*.G310 helixtrans-64.4-32.9-179.4-172.1-105.8000113.3G269 F270 F271F267-G269 PolarHBondContact O-N 3.36Å; F267-F270 PolarHBondContact O-N 2.63Å; F267-F271 HydrophobicContact CD1-CE2 4.32Å; F267-F271 HydrophobicContact CE1-CD2 4.31Å; F267-F271 AromaticContact CE1-CE2 3.63Å; F267-F271 HydrophobicContact CE1-CE2 3.63Å; F267-F271 HydrophobicContact CE2-CE2 4.47Å; F267-F271 AromaticContact CZ-CE2 3.73Å; F267-F271 HydrophobicContact CZ-CE2 3.73Å; F267-F271 HydrophobicContact CZ-CZ 4.42Å
268R86.5Confident88.4Confident210 Ų21065.6 Ų65.679%0.79231%0.31SS*.G310 helixtrans-63-26.4179.5-61.5178.689.7104.3-3.8112.4G266 F270 F271 H272G266-R268 VanDerWaalsContact C-N 3.31Å; G266-R268 PolarHBondContact O-N 3.01Å; R268-F270 PolarHBondContact O-N 2.76Å; R268-F271 PolarHBondContact O-N 3.21Å; R268-H272 PolarHBondContact O-CD2 2.98Å
269G84.5Confident88.3Confident0 Ų065 Ų650%031%0.311CS..G310 helixtrans-58.8-31.117700000114.9G266 F267 F271 H272G266-G269 PolarHBondContact O-N 3.08Å; F267-G269 PolarHBondContact O-N 3.36Å; G269-F271 PolarHBondContact O-N 3.24Å; G269-H272 PolarHBondContact O-N 3.31Å
270F88.5Confident88.1Confident20 Ų2063.7 Ų63.79%0.08829%0.294CS..G310 helixtrans-73.7-12.7178.2-65.9-77.8000113.3P226 V229 I230 I258 T261 Y262 F267 R268P226-F270 HydrophobicContact CB-CB 4.08Å; P226-F270 HydrophobicContact CB-CD1 4.34Å; P226-F270 HydrophobicContact CG-CB 4.45Å; V229-F270 VanDerWaalsContact CG2-O 3.29Å; V229-F270 WeakPolarHBondContact CG2-O 3.33Å; I230-F270 HydrophobicContact CD1-CD1 4.32Å; I230-F270 HydrophobicContact CD1-CE1 4.05Å; I230-F270 HydrophobicContact CG1-CD1 4.32Å; I230-F270 HydrophobicContact CG1-CE1 4.08Å; I258-F270 HydrophobicContact CG2-CE1 4.45Å; I258-F270 HydrophobicContact CG2-CZ 4.19Å; T261-F270 HydrophobicContact CG2-CD1 4.11Å; T261-F270 HydrophobicContact CG2-CD2 4.39Å; T261-F270 HydrophobicContact CG2-CE1 3.81Å; T261-F270 HydrophobicContact CG2-CE2 4.11Å; T261-F270 HydrophobicContact CG2-CG 4.39Å; T261-F270 HydrophobicContact CG2-CZ 3.81Å; Y262-F270 HydrophobicContact CD2-CE2 4.27Å; F267-F270 PolarHBondContact O-N 2.63Å; R268-F270 PolarHBondContact O-N 2.76Å
271F89.1Confident88.1Confident71 Ų7158.9 Ų58.931%0.31128%0.276SS..G310 helixtrans-109.78.8179.5-67.8-85.7000113.1Q225 P226 F267 R268 G269 G273 S274Q225-F271 HydrophobicContact CB-CD1 4.39Å; Q225-F271 HydrophobicContact CG-CD1 4.4Å; P226-F271 HydrophobicContact CG-CE1 4.45Å; P226-F271 HydrophobicContact CG-CZ 4.18Å; F267-F271 HydrophobicContact CD1-CE2 4.32Å; F267-F271 HydrophobicContact CE1-CD2 4.31Å; F267-F271 AromaticContact CE1-CE2 3.63Å; F267-F271 HydrophobicContact CE1-CE2 3.63Å; F267-F271 HydrophobicContact CE2-CE2 4.47Å; F267-F271 AromaticContact CZ-CE2 3.73Å; F267-F271 HydrophobicContact CZ-CE2 3.73Å; F267-F271 HydrophobicContact CZ-CZ 4.42Å; R268-F271 PolarHBondContact O-N 3.21Å; G269-F271 PolarHBondContact O-N 3.24Å; F271-G273 PolarHBondContact O-N 3.15Å; F271-S274 WeakPolarHBondContact O-CB 3.35Å; F271-S274 PolarHBondContact O-N 2.67Å; F271-S274 PolarHBondContact O-OG 2.83Å
272H87Confident88.1Confident34 Ų3461.7 Ų61.716%0.15729%0.294CS..THydrogen-bonded Turntrans-58.5136.5173-71.3173.3000110.8S39 Q40 R47 Q225 N265 R268 G269S39-H272 WeakPolarHBondContact O-CB 3.11Å; Q40-H272 WeakPolarHBondContact CG-O 3.48Å; R47-H272 VanDerWaalsContact CG-CE1 3.41Å; R47-H272 WeakPolarHBondContact CG-CE1 3.48Å; Q225-H272 PolarHBondContact NE2-O 3.37Å; N265-H272 PolarHBondContact OD1-CE1 3.4Å; N265-H272 VanDerWaalsContact OD1-CE1 3.29Å; R268-H272 PolarHBondContact O-CD2 2.98Å; G269-H272 PolarHBondContact O-N 3.31Å
273G87.4Confident88Confident4 Ų455.9 Ų55.94%0.04127%0.274CS..THydrogen-bonded Turntrans79.19.8-177.700000115.2S39 Q225 F271 A276 N277S39-G273 WeakPolarHBondContact OG-CA 3.46Å; S39-G273 PolarHBondContact OG-N 3.36Å; Q225-G273 PolarHBondContact NE2-O 3.36Å; F271-G273 PolarHBondContact O-N 3.15Å; G273-A276 PolarHBondContact O-N 3.15Å; G273-N277 WeakPolarHBondContact O-CB 3.3Å; G273-N277 PolarHBondContact O-N 3.02Å
274S88.5Confident87.7Confident40 Ų4049.9 Ų49.928%0.2826%0.256SS..Hα-helixtrans-58.3-48.2177.554.90000112F271 A276 N277 V278F271-S274 WeakPolarHBondContact O-CB 3.35Å; F271-S274 PolarHBondContact O-N 2.67Å; F271-S274 PolarHBondContact O-OG 2.83Å; S274-A276 PolarHBondContact O-N 2.72Å; S274-N277 WeakPolarHBondContact O-CA 3.39Å; S274-N277 WeakPolarHBondContact O-CB 3.35Å; S274-N277 PolarHBondContact O-N 2.71Å; S274-V278 WeakPolarHBondContact O-CG2 3.31Å; S274-V278 PolarHBondContact O-N 3.33Å
275V90.8Very high87.7Confident85 Ų8547 Ų4752%0.51524%0.241SC..Hα-helixtrans-58.7-49177177.90000111.1N277 V278 C279V275-N277 PolarHBondContact O-N 2.76Å; V275-V278 PolarHBondContact O-N 3.41Å; V275-C279 PolarHBondContact O-N 3.25Å; V275-C279 PolarHBondContact O-SG 2.98Å; V275-C279 VanDerWaalsContact O-SG 3.34Å
276A89.3Confident87.9Confident0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-60.6-33.7175.700000112.5L35 K36 T50 G273 S274 K280L35-A276 HydrophobicContact CB-CB 4Å; K36-A276 HydrophobicContact CB-CB 4.06Å; T50-A276 HydrophobicContact CG2-CB 3.88Å; T50-A276 PolarHBondContact OG1-N 3.33Å; G273-A276 PolarHBondContact O-N 3.15Å; S274-A276 PolarHBondContact O-N 2.72Å; A276-K280 WeakPolarHBondContact O-CB 3.48Å; A276-K280 PolarHBondContact O-N 3.42Å
277N89.4Confident87.6Confident9 Ų947.9 Ų47.95%0.04824%0.242CC..Hα-helixtrans-70.8-41.6177.6-157.621.2000111.9K36 A221 Q225 G273 S274 V275 K280 S281K36-N277 HydrophobicContact CD-CB 4.1Å; K36-N277 WeakPolarHBondContact CD-OD1 3.44Å; K36-N277 WeakPolarHBondContact CE-OD1 3.39Å; K36-N277 HydrophobicContact CG-CB 4.45Å; K36-N277 VanDerWaalsContact NZ-CG 3.32Å; K36-N277 PolarHBondContact NZ-ND2 3.12Å; K36-N277 PolarHBondContact NZ-OD1 2.9Å; A221-N277 VanDerWaalsContact CB-ND2 3.26Å; A221-N277 WeakPolarHBondContact CB-ND2 3.18Å; A221-N277 PolarHBondContact O-ND2 3.32Å; Q225-N277 PolarHBondContact OE1-ND2 3.05Å; G273-N277 WeakPolarHBondContact O-CB 3.3Å; G273-N277 PolarHBondContact O-N 3.02Å; S274-N277 WeakPolarHBondContact O-CA 3.39Å; S274-N277 WeakPolarHBondContact O-CB 3.35Å; S274-N277 PolarHBondContact O-N 2.71Å; V275-N277 PolarHBondContact O-N 2.76Å; N277-K280 WeakPolarHBondContact O-CB 3.21Å; N277-K280 PolarHBondContact O-N 3.26Å; N277-S281 PolarHBondContact O-N 3.45Å
278V91Very high87.2Confident50 Ų5047.9 Ų47.930%0.30324%0.242SC..Hα-helixtrans-64.6-49.3174.1173.70000110.5I222 S274 V275 K280 S281I222-V278 HydrophobicContact CD1-CG2 4.28Å; I222-V278 HydrophobicContact CG1-CG2 4.42Å; S274-V278 WeakPolarHBondContact O-CG2 3.31Å; S274-V278 PolarHBondContact O-N 3.33Å; V275-V278 PolarHBondContact O-N 3.41Å; V278-K280 PolarHBondContact O-N 3.21Å; V278-S281 WeakPolarHBondContact O-CB 3.45Å; V278-S281 PolarHBondContact O-N 2.92Å; V278-S281 PolarHBondContact O-OG 3.42Å
279C90.4Very high86.9Confident50 Ų5040.5 Ų40.534%0.33821%0.214SC..Hα-helixtrans-60.9-33.2177.4-65.90000112.4F32 V275 S281 P283F32-C279 HydrophobicContact CD1-CB 3.6Å; F32-C279 HydrophobicContact CE1-CB 3.74Å; F32-C279 HydrophobicContact CG-CB 4.23Å; F32-C279 HydrophobicContact CZ-CB 4.47Å; V275-C279 PolarHBondContact O-N 3.25Å; V275-C279 PolarHBondContact O-SG 2.98Å; V275-C279 VanDerWaalsContact O-SG 3.34Å; C279-S281 VanDerWaalsContact C-N 3.3Å; C279-S281 PolarHBondContact O-N 3.04Å; C279-P283 WeakPolarHBondContact O-CD 3.05Å
280K87.9Confident86.5Confident31 Ų3144.7 Ų44.714%0.13524%0.236CC..Hα-helixtrans-65.3-32.5174.3-176.6-165.7164.9-157.90112.5A29 F32 K36 A276 N277 V278 V282 Q284A29-K280 HydrophobicContact CB-CG 4.19Å; F32-K280 HydrophobicContact CB-CB 3.77Å; F32-K280 HydrophobicContact CB-CG 4.34Å; K36-K280 HydrophobicContact CD-CD 4.43Å; A276-K280 WeakPolarHBondContact O-CB 3.48Å; A276-K280 PolarHBondContact O-N 3.42Å; N277-K280 WeakPolarHBondContact O-CB 3.21Å; N277-K280 PolarHBondContact O-N 3.26Å; V278-K280 PolarHBondContact O-N 3.21Å; K280-V282 VanDerWaalsContact C-N 3.29Å; K280-V282 PolarHBondContact O-N 3.15Å; K280-Q284 WeakPolarHBondContact O-CB 3.24Å; K280-Q284 PolarHBondContact O-N 3.02Å
281S86.8Confident85.6Confident2 Ų245.9 Ų45.91%0.01424%0.242CC..Hα-helixtrans-63.6-35.8-178.876.30000112.2S218 N277 V278 C279 Q284 V285S218-S281 PolarHBondContact OG-OG 3.46Å; S218-S281 VanDerWaalsContact OG-OG 3.06Å; N277-S281 PolarHBondContact O-N 3.45Å; V278-S281 WeakPolarHBondContact O-CB 3.45Å; V278-S281 PolarHBondContact O-N 2.92Å; V278-S281 PolarHBondContact O-OG 3.42Å; C279-S281 VanDerWaalsContact C-N 3.3Å; C279-S281 PolarHBondContact O-N 3.04Å; S281-Q284 PolarHBondContact O-N 2.73Å; S281-V285 WeakPolarHBondContact O-CB 3.27Å; S281-V285 VanDerWaalsContact O-CG2 3.26Å; S281-V285 WeakPolarHBondContact O-CG2 3.37Å; S281-V285 PolarHBondContact O-N 3.41Å
282V88.5Confident84.6Confident59 Ų5949 Ų4936%0.35825%0.253SS..Hα-helixtrans-61.7-57.6-175.5172.10000111.8Y210 V214 K280 Q284 V285 T286Y210-V282 WeakPolarHBondContact OH-CG1 3.31Å; V214-V282 HydrophobicContact CG1-CG2 3.84Å; K280-V282 VanDerWaalsContact C-N 3.29Å; K280-V282 PolarHBondContact O-N 3.15Å; V282-Q284 VanDerWaalsContact C-N 3.29Å; V282-Q284 PolarHBondContact O-N 3.39Å; V282-V285 PolarHBondContact O-N 2.73Å; V282-T286 WeakPolarHBondContact O-CB 3.16Å; V282-T286 PolarHBondContact O-N 3.08Å; V282-T286 PolarHBondContact O-OG1 3.33Å
283P87Confident83.7Confident26 Ų2650 Ų5017%0.16926%0.26CS..Hα-helixtrans-62.6-35.9176.6-22.432.5000113.1F28 A29 F32 C279 T286 V287F28-P283 HydrophobicContact CB-CB 4.34Å; A29-P283 HydrophobicContact CB-CB 4.2Å; F32-P283 HydrophobicContact CD2-CG 4.28Å; F32-P283 HydrophobicContact CE2-CG 4.19Å; C279-P283 WeakPolarHBondContact O-CD 3.05Å; P283-T286 PolarHBondContact O-N 2.74Å; P283-V287 WeakPolarHBondContact O-CG2 2.98Å; P283-V287 PolarHBondContact O-N 3.15Å
284Q84.3Confident82.6Confident99 Ų9956.3 Ų56.346%0.46329%0.286SS..Hα-helixtrans-62.9-47.7-179.9-178.8174.7-7.400111.4K280 S281 V282 F288K280-Q284 WeakPolarHBondContact O-CB 3.24Å; K280-Q284 PolarHBondContact O-N 3.02Å; S281-Q284 PolarHBondContact O-N 2.73Å; V282-Q284 VanDerWaalsContact C-N 3.29Å; V282-Q284 PolarHBondContact O-N 3.39Å; Q284-F288 PolarHBondContact O-N 3.08Å
285V86.3Confident81.2Confident11 Ų1155.8 Ų55.87%0.06728%0.28CS..Hα-helixtrans-67.9-42.4176.9171.60000110.4Y210 S213 V214 V217 S281 V282 V287 F288 W289Y210-V285 HydrophobicContact CD2-CG1 3.89Å; Y210-V285 HydrophobicContact CE2-CB 4.47Å; Y210-V285 HydrophobicContact CE2-CG1 3.83Å; S213-V285 WeakPolarHBondContact OG-CG1 3.37Å; V214-V285 HydrophobicContact CG2-CB 4.07Å; V214-V285 HydrophobicContact CG2-CG1 3.77Å; V214-V285 HydrophobicContact CG2-CG2 4.48Å; V217-V285 HydrophobicContact CB-CG2 4.17Å; V217-V285 HydrophobicContact CG1-CG2 4.46Å; V217-V285 HydrophobicContact CG2-CG2 3.83Å; S281-V285 WeakPolarHBondContact O-CB 3.27Å; S281-V285 VanDerWaalsContact O-CG2 3.26Å; S281-V285 WeakPolarHBondContact O-CG2 3.37Å; S281-V285 PolarHBondContact O-N 3.41Å; V282-V285 PolarHBondContact O-N 2.73Å; V285-V287 PolarHBondContact O-N 3.49Å; V285-F288 PolarHBondContact O-N 3.47Å; V285-W289 VanDerWaalsContact CG1-CD1 3.4Å; V285-W289 WeakPolarHBondContact O-CB 3.09Å; V285-W289 VanDerWaalsContact O-CD1 3.27Å; V285-W289 PolarHBondContact O-N 3.18Å
286T86.9Confident79.8Confident42 Ų4253.8 Ų53.826%0.25827%0.269SS..Hα-helixtrans-58.3-46.9-179.7-53.40000112.3Y210 V282 P283 W289 I290Y210-T286 WeakPolarHBondContact CE2-OG1 3.33Å; Y210-T286 PolarHBondContact OH-OG1 2.74Å; V282-T286 WeakPolarHBondContact O-CB 3.16Å; V282-T286 PolarHBondContact O-N 3.08Å; V282-T286 PolarHBondContact O-OG1 3.33Å; P283-T286 PolarHBondContact O-N 2.74Å; T286-W289 PolarHBondContact O-N 3.15Å; T286-I290 HydrophobicContact CG2-CD1 3.81Å; T286-I290 HydrophobicContact CG2-CG1 4.36Å; T286-I290 VanDerWaalsContact O-CG1 3.31Å; T286-I290 WeakPolarHBondContact O-CG1 3.23Å; T286-I290 PolarHBondContact O-N 3.32Å
287V82.7Confident78.4Confident23 Ų2356.9 Ų56.914%0.13929%0.29CS..Hα-helixtrans-67.6-39.9179.8173.50000111.4T21 F28 P283 V285 W289 I290 M291T21-V287 HydrophobicContact CG2-CG1 3.97Å; F28-V287 HydrophobicContact CD2-CG2 4.46Å; P283-V287 WeakPolarHBondContact O-CG2 2.98Å; P283-V287 PolarHBondContact O-N 3.15Å; V285-V287 PolarHBondContact O-N 3.49Å; V287-W289 VanDerWaalsContact C-N 3.32Å; V287-W289 PolarHBondContact O-N 3.4Å; V287-I290 PolarHBondContact O-N 3.48Å; V287-M291 WeakPolarHBondContact O-CB 3.23Å; V287-M291 PolarHBondContact O-N 3.49Å
288F77.7Confident76.6Confident140 Ų14061.3 Ų61.361%0.61431%0.313SS*.Hα-helixtrans-59.6-44.1174.1-173.6-95.2000111.6Q284 V285 M291 Y292Q284-F288 PolarHBondContact O-N 3.08Å; V285-F288 PolarHBondContact O-N 3.47Å; F288-M291 PolarHBondContact O-N 3.11Å; F288-Y292 WeakPolarHBondContact O-CB 3.47Å; F288-Y292 PolarHBondContact O-N 2.85Å
289W79.8Confident74.8Confident54 Ų5461.7 Ų61.721%0.20531%0.313CS..Hα-helixtrans-64.8-47.9176.9-91.690.1000113.3A209 Y210 S213 V285 T286 V287 M291 Y292 N293A209-W289 VanDerWaalsContact C-CZ2 3.47Å; A209-W289 HydrophobicContact CB-CH2 3.34Å; A209-W289 HydrophobicContact CB-CZ2 3.62Å; A209-W289 HydrophobicContact CB-CZ3 4.36Å; A209-W289 WeakPolarHBondContact O-CZ2 3.27Å; Y210-W289 HydrophobicContact CD2-CB 4.36Å; Y210-W289 AromaticContact CD2-CD1 3.78Å; Y210-W289 AromaticContact CD2-CG 3.96Å; Y210-W289 HydrophobicContact CD2-CG 3.96Å; S213-W289 PolarHBondContact OG-NE1 3.47Å; V285-W289 VanDerWaalsContact CG1-CD1 3.4Å; V285-W289 WeakPolarHBondContact O-CB 3.09Å; V285-W289 VanDerWaalsContact O-CD1 3.27Å; V285-W289 PolarHBondContact O-N 3.18Å; T286-W289 PolarHBondContact O-N 3.15Å; V287-W289 VanDerWaalsContact C-N 3.32Å; V287-W289 PolarHBondContact O-N 3.4Å; W289-M291 PolarHBondContact O-N 3.29Å; W289-Y292 PolarHBondContact O-N 3.3Å; W289-N293 PolarHBondContact O-N 3Å; W289-N293 VanDerWaalsContact O-N 3.11Å; W289-N293 PolarHBondContact O-ND2 3.49Å
290I77.7Confident73.3Confident89 Ų8965.6 Ų65.646%0.45633%0.326SS..Hα-helixtrans-57.6-44.5177.1-71.5169.8000109.4T286 V287 N293 K294T286-I290 HydrophobicContact CG2-CD1 3.81Å; T286-I290 HydrophobicContact CG2-CG1 4.36Å; T286-I290 VanDerWaalsContact O-CG1 3.31Å; T286-I290 WeakPolarHBondContact O-CG1 3.23Å; T286-I290 PolarHBondContact O-N 3.32Å; V287-I290 PolarHBondContact O-N 3.48Å; I290-N293 PolarHBondContact O-N 2.92Å; I290-K294 HydrophobicContact CG2-CB 4.46Å; I290-K294 HydrophobicContact CG2-CD 4.32Å; I290-K294 HydrophobicContact CG2-CG 4.46Å; I290-K294 WeakPolarHBondContact O-CA 3.46Å; I290-K294 VanDerWaalsContact O-CB 3.28Å; I290-K294 WeakPolarHBondContact O-CB 3.15Å; I290-K294 PolarHBondContact O-N 3.41Å
291M70Confident71.5Confident45 Ų4567.5 Ų67.522%0.22234%0.343CS..Hα-helixtrans-68.5-44.9-177.3-151.770.6136.700112.7L17 T21 V287 F288 W289 N293 L295L17-M291 HydrophobicContact CD1-CE 4.05Å; T21-M291 HydrophobicContact CG2-CB 3.5Å; T21-M291 VanDerWaalsContact CG2-CB 3.5Å; T21-M291 HydrophobicContact CG2-CE 3.94Å; T21-M291 HydrophobicContact CG2-CG 3.48Å; T21-M291 VanDerWaalsContact CG2-CG 3.48Å; T21-M291 HydrophobicContact CG2-SD 4.09Å; T21-M291 WeakPolarHBondContact OG1-CE 3.46Å; T21-M291 VanDerWaalsContact OG1-CG 3.28Å; T21-M291 WeakPolarHBondContact OG1-CG 3.19Å; V287-M291 WeakPolarHBondContact O-CB 3.23Å; V287-M291 PolarHBondContact O-N 3.49Å; F288-M291 PolarHBondContact O-N 3.11Å; W289-M291 PolarHBondContact O-N 3.29Å; M291-N293 PolarHBondContact O-N 3.08Å; M291-L295 HydrophobicContact CE-CD1 3.5Å; M291-L295 HydrophobicContact CG-CB 4.1Å; M291-L295 HydrophobicContact CG-CD1 4.19Å; M291-L295 WeakPolarHBondContact O-CB 3.29Å; M291-L295 PolarHBondContact O-N 2.98Å; M291-L295 HydrophobicContact SD-CB 4.03Å; M291-L295 HydrophobicContact SD-CD1 3.26Å; M291-L295 WeakPolarHBondContact SD-CD1 3.45Å; M291-L295 HydrophobicContact SD-CG 4.18Å
292Y66.9Low69.8Low135 Ų13574.5 Ų74.553%0.52937%0.373SS..Hα-helixtrans-61.7-34.5-179.1-169.1-93.1000112.2K6 F288 W289K6-Y292 PolarHBondContact NZ-OH 3.34Å; F288-Y292 WeakPolarHBondContact O-CB 3.47Å; F288-Y292 PolarHBondContact O-N 2.85Å; W289-Y292 PolarHBondContact O-N 3.3Å
293N68.7Low67.8Low57 Ų5780.6 Ų80.631%0.30539%0.39SS..Hα-helixtrans-94.8-49.2-176.5-67.2-71.8000113.8Y206 W289 I290 M291Y206-N293 WeakPolarHBondContact CE1-OD1 3.22Å; W289-N293 PolarHBondContact O-N 3Å; W289-N293 VanDerWaalsContact O-N 3.11Å; W289-N293 PolarHBondContact O-ND2 3.49Å; I290-N293 PolarHBondContact O-N 2.92Å; M291-N293 PolarHBondContact O-N 3.08Å
294K63.8Low66Low135 Ų13584.8 Ų84.859%0.58741%0.41SS*.Hα-helixtrans-80.3-33.6-174.3-72.6-159.2174-170.50112.9I290 S297 L298I290-K294 HydrophobicContact CG2-CB 4.46Å; I290-K294 HydrophobicContact CG2-CD 4.32Å; I290-K294 HydrophobicContact CG2-CG 4.46Å; I290-K294 WeakPolarHBondContact O-CA 3.46Å; I290-K294 VanDerWaalsContact O-CB 3.28Å; I290-K294 WeakPolarHBondContact O-CB 3.15Å; I290-K294 PolarHBondContact O-N 3.41Å; K294-S297 PolarHBondContact O-N 3.08Å; K294-S297 VanDerWaalsContact O-N 3.14Å; K294-S297 PolarHBondContact O-OG 3.28Å; K294-L298 HydrophobicContact CB-CD1 4.49Å; K294-L298 WeakPolarHBondContact O-CG 3.31Å; K294-L298 PolarHBondContact O-N 3.14Å
295L59.3Low64.3Low29 Ų2983.2 Ų83.215%0.15241%0.41CS..Hα-helixtrans-69.1-38.3-168-156.5115.6000114.5L17 M291 S297 L298 M299L17-L295 HydrophobicContact CD1-CD1 3.84Å; L17-L295 HydrophobicContact CD1-CD2 3.21Å; L17-L295 HydrophobicContact CD1-CG 4.14Å; L17-L295 HydrophobicContact CD2-CD2 3.23Å; L17-L295 HydrophobicContact CG-CD2 3.71Å; M291-L295 HydrophobicContact CE-CD1 3.5Å; M291-L295 HydrophobicContact CG-CB 4.1Å; M291-L295 HydrophobicContact CG-CD1 4.19Å; M291-L295 WeakPolarHBondContact O-CB 3.29Å; M291-L295 PolarHBondContact O-N 2.98Å; M291-L295 HydrophobicContact SD-CB 4.03Å; M291-L295 HydrophobicContact SD-CD1 3.26Å; M291-L295 WeakPolarHBondContact SD-CD1 3.45Å; M291-L295 HydrophobicContact SD-CG 4.18Å; L295-S297 VanDerWaalsContact C-N 3.27Å; L295-S297 PolarHBondContact O-N 2.91Å; L295-L298 PolarHBondContact O-N 3.35Å; L295-M299 HydrophobicContact CD2-CE 4.05Å; L295-M299 HydrophobicContact CD2-CG 4.3Å; L295-M299 HydrophobicContact CD2-SD 4Å; L295-M299 WeakPolarHBondContact O-CG 3.47Å; L295-M299 PolarHBondContact O-N 2.51Å
296P61.2Low62.5Low43 Ų4388.3 Ų88.328%0.27944%0.437SS..Hα-helixtrans-55.5-43.5169.5-25.835.6000112.3L298 M299 E300P296-L298 PolarHBondContact O-N 3.2Å; P296-M299 PolarHBondContact O-N 3.32Å; P296-E300 WeakPolarHBondContact O-CB 3.49Å; P296-E300 PolarHBondContact O-N 2.99Å
297S59.4Low60.6Low65 Ų6589.2 Ų89.246%0.45545%0.454SS..Hα-helixtrans-67.4-36179.572.90000113.4K294 L295 E300 S301K294-S297 PolarHBondContact O-N 3.08Å; K294-S297 VanDerWaalsContact O-N 3.14Å; K294-S297 PolarHBondContact O-OG 3.28Å; L295-S297 VanDerWaalsContact C-N 3.27Å; L295-S297 PolarHBondContact O-N 2.91Å; S297-E300 PolarHBondContact O-N 3.44Å; S297-S301 WeakPolarHBondContact O-CB 3.18Å; S297-S301 PolarHBondContact O-N 3.14Å
298L52.1Low58.6Low102 Ų10294.7 Ų94.753%0.53448%0.482SS..Hα-helixtrans-69.3-36.9176.6-73.1172.7000111.9K294 L295 P296 K302K294-L298 HydrophobicContact CB-CD1 4.49Å; K294-L298 WeakPolarHBondContact O-CG 3.31Å; K294-L298 PolarHBondContact O-N 3.14Å; L295-L298 PolarHBondContact O-N 3.35Å; P296-L298 PolarHBondContact O-N 3.2Å; L298-K302 PolarHBondContact O-N 2.91Å
299M53.8Low56.5Low58 Ų5892.2 Ų92.229%0.28648%0.479SS..Hα-helixtrans-69.4-39.9175.7-69.2-168.9-5800111.8L9 L295 P296 K302 R303L9-M299 HydrophobicContact CD1-CE 3.67Å; L9-M299 HydrophobicContact CD1-SD 3.61Å; L9-M299 HydrophobicContact CD2-SD 4.21Å; L9-M299 HydrophobicContact CG-CE 4.26Å; L9-M299 HydrophobicContact CG-SD 4.22Å; L295-M299 HydrophobicContact CD2-CE 4.05Å; L295-M299 HydrophobicContact CD2-CG 4.3Å; L295-M299 HydrophobicContact CD2-SD 4Å; L295-M299 WeakPolarHBondContact O-CG 3.47Å; L295-M299 PolarHBondContact O-N 2.51Å; P296-M299 PolarHBondContact O-N 3.32Å; M299-K302 PolarHBondContact O-N 3.48Å; M299-R303 WeakPolarHBondContact O-CB 3.22Å; M299-R303 PolarHBondContact O-N 3.12Å
300E58.3Low54.3Low132 Ų13294.3 Ų94.362%0.61750%0.499SS*.Hα-helixtrans-64.2-43.2175.4-163.1162.8-15500111.1P296 S297 R303 L304P296-E300 WeakPolarHBondContact O-CB 3.49Å; P296-E300 PolarHBondContact O-N 2.99Å; S297-E300 PolarHBondContact O-N 3.44Å; E300-R303 PolarHBondContact O-N 3.21Å; E300-L304 WeakPolarHBondContact O-CG 3.23Å; E300-L304 PolarHBondContact O-N 2.8Å
301S49.8Very low52.4Low71 Ų7197.8 Ų97.850%0.49752%0.518SS..Hα-helixtrans-61.5-46.6173.8175.50000113.1S297 R303 L304 S305S297-S301 WeakPolarHBondContact O-CB 3.18Å; S297-S301 PolarHBondContact O-N 3.14Å; S301-R303 VanDerWaalsContact C-N 3.27Å; S301-R303 PolarHBondContact O-N 3.33Å; S301-L304 PolarHBondContact O-N 3.29Å; S301-S305 PolarHBondContact O-N 2.74Å
302K52Low50.8Low150 Ų150100.1 Ų100.165%0.65254%0.539SS*.Hα-helixtrans-63.8-32.3176-103.8-172.6176.2-170.50112.6L298 M299 S305 L306L298-K302 PolarHBondContact O-N 2.91Å; M299-K302 PolarHBondContact O-N 3.48Å; K302-S305 WeakPolarHBondContact CA-OG 3.02Å; K302-S305 PolarHBondContact O-N 3.12Å; K302-S305 PolarHBondContact O-OG 2.88Å; K302-L306 WeakPolarHBondContact O-CB 3.43Å; K302-L306 VanDerWaalsContact O-CG 3.31Å; K302-L306 WeakPolarHBondContact O-CG 3.39Å; K302-L306 PolarHBondContact O-N 3.31Å
303R46.7Very low49.4Very low186 Ų186101.7 Ų101.770%0.70256%0.556SS**Hα-helixtrans-73.4-37.4177.1-158.8176.1-165.3177.42.8111.6M299 E300 S301 L306 G307M299-R303 WeakPolarHBondContact O-CB 3.22Å; M299-R303 PolarHBondContact O-N 3.12Å; E300-R303 PolarHBondContact O-N 3.21Å; S301-R303 VanDerWaalsContact C-N 3.27Å; S301-R303 PolarHBondContact O-N 3.33Å; R303-L306 PolarHBondContact O-N 2.88Å; R303-G307 WeakPolarHBondContact O-CA 3.19Å; R303-G307 PolarHBondContact O-N 3Å
304L49.5Very low47.7Very low115 Ų115102.6 Ų102.660%0.60257%0.571SS**Hα-helixtrans-63.7-40.5170.8-72.9163.7000111.4E300 S301 N308E300-L304 WeakPolarHBondContact O-CG 3.23Å; E300-L304 PolarHBondContact O-N 2.8Å; S301-L304 PolarHBondContact O-N 3.29Å; L304-N308 WeakPolarHBondContact O-CB 3.46Å; L304-N308 PolarHBondContact O-N 2.88Å; L304-N308 VanDerWaalsContact O-N 3.15Å
305S47.5Very low46.2Very low65 Ų65105.1 Ų105.146%0.45558%0.582SS.*Hα-helixtrans-68.7-37.5176.267.10000112.9S301 K302 V309S301-S305 PolarHBondContact O-N 2.74Å; K302-S305 WeakPolarHBondContact CA-OG 3.02Å; K302-S305 PolarHBondContact O-N 3.12Å; K302-S305 PolarHBondContact O-OG 2.88Å; S305-V309 WeakPolarHBondContact O-CG2 3.35Å
306L49.2Very low45.1Very low119 Ų119115.1 Ų115.162%0.62364%0.635SS**Hα-helixtrans-78-31.6177.3-74.3166.7000112.8K302 R303 N308 V309K302-L306 WeakPolarHBondContact O-CB 3.43Å; K302-L306 VanDerWaalsContact O-CG 3.31Å; K302-L306 WeakPolarHBondContact O-CG 3.39Å; K302-L306 PolarHBondContact O-N 3.31Å; R303-L306 PolarHBondContact O-N 2.88Å; L306-N308 PolarHBondContact O-N 3.27Å; L306-V309 PolarHBondContact O-N 3.13Å
307G46.8Very low44.2Very low61 Ų61118.7 Ų118.763%0.62965%0.653SS**Hα-helixtrans-70.4-22.417400000113.2R303R303-G307 WeakPolarHBondContact O-CA 3.19Å; R303-G307 PolarHBondContact O-N 3Å
308N39.8Very low43.5Very low137 Ų137121.5 Ų121.573%0.73366%0.664SS**THydrogen-bonded Turntrans-89.10.7171.8-72.9-8.5000113.5L304 L306 P310L304-N308 WeakPolarHBondContact O-CB 3.46Å; L304-N308 PolarHBondContact O-N 2.88Å; L304-N308 VanDerWaalsContact O-N 3.15Å; L306-N308 PolarHBondContact O-N 3.27Å; N308-P310 VanDerWaalsContact O-CD 3.26Å; N308-P310 WeakPolarHBondContact O-CD 3.49Å
309V34Very low43Very low89 Ų89122.6 Ų122.654%0.53967%0.671SS.*SBendtrans-85.2110.4167-1760000106.8S305 L306 L311S305-V309 WeakPolarHBondContact O-CG2 3.35Å; L306-V309 PolarHBondContact O-N 3.13Å; V309-L311 PolarHBondContact O-N 3.09Å
310P34.8Very low42.3Very low98 Ų98126.4 Ų126.464%0.63669%0.693SS**  trans-57.1127.5176.921.7-30000108.9N308 S312N308-P310 VanDerWaalsContact O-CD 3.26Å; N308-P310 WeakPolarHBondContact O-CD 3.49Å; P310-S312 PolarHBondContact O-N 2.93Å
311L37.9Very low41.3Very low161 Ų161126.1 Ų126.184%0.84370%0.698SS**SBendtrans-63.834.2176.2-86155.2000113.2V309 L313V309-L311 PolarHBondContact O-N 3.09Å; L311-L313 VanDerWaalsContact C-N 3.33Å
312S36Very low40.8Very low94 Ų94129.7 Ų129.766%0.65771%0.712SS**THydrogen-bonded Turntrans-88.46.8178.776.80000114P310P310-S312 PolarHBondContact O-N 2.93Å
313L35.9Very low40Very low169 Ų169128.3 Ų128.389%0.88572%0.716SS**THydrogen-bonded Turntrans-115.112.2174.9-79.1167.9000114.2L311L311-L313 VanDerWaalsContact C-N 3.33Å
314A34.4Very low39.5Very low76 Ų76123.8 Ų123.863%0.62872%0.717SS**SBendtrans-106.39.9173.100000113.8
315K31.6Very low38.6Very low188 Ų188124.6 Ų124.682%0.81773%0.727SS**  trans-138.982.5171.3-75.3-171.6178-177.30109.9
316N35.6Very low37.8Very low238 Ų238130 Ų130100%1.27375%0.751SS**  trans-167.90141.9-85-19.2000106.9

Retrieved 316 of 316 residues in 519.1 ms (Link to these results)