A0A077ZQ92_TRITR Loading...

DEDD Tnp IS110 and Transposase 20 domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077ZQ92, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 398 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
1M24.6Very low68Low242 Ų24287.8 Ų87.8100%1.19248%0.476SS*.  0126.40-82.5175.6-110.500107.6E3M1-E3 PolarHBondContact O-N 2.87Å
2T31.9Very low70.5Confident113 Ų11380.5 Ų80.569%0.69344%0.437SS*.  trans-76.5107.9-165.339.90000111.5S4 S5T2-S4 PolarHBondContact O-N 2.63Å; T2-S5 PolarHBondContact O-N 3.11Å; T2-S5 PolarHBondContact O-OG 3.17Å
3E50.8Low72.6Confident100 Ų10074.4 Ų74.447%0.46740%0.403SS..THydrogen-bonded Turntrans-51.7-13.9177.5-67.4175.7170.200114.5M1 S5M1-E3 PolarHBondContact O-N 2.87Å; E3-S5 PolarHBondContact O-N 2.9Å
4S48.7Very low74.4Confident85 Ų8569.1 Ų69.159%0.59438%0.375SS*.Hα-helixtrans-63-21.1170.4-166.90000113.7T2T2-S4 PolarHBondContact O-N 2.63Å
5S53.5Low76Confident68 Ų6864.5 Ų64.548%0.47635%0.35SS..Hα-helixtrans-69.3-41.2179.857.60000112.7T2 E3 E8T2-S5 PolarHBondContact O-N 3.11Å; T2-S5 PolarHBondContact O-OG 3.17Å; E3-S5 PolarHBondContact O-N 2.9Å; S5-E8 PolarHBondContact O-N 3.37Å
6D77Confident77.3Confident82 Ų8260.5 Ų60.544%0.43933%0.328SS..Hα-helixtrans-78.9-27.1-168.9-62.2-3.9000111.8S9 V10 L84D6-S9 PolarHBondContact O-OG 3.13Å; D6-V10 WeakPolarHBondContact O-CG2 3.43Å; D6-L84 HydrophobicContact CB-CD1 4.09Å
7Y87.3Confident78.3Confident38 Ų3857.8 Ų57.815%0.14931%0.314CS..Hα-helixtrans-68.1-41.1174.3-178.4-98.3000111.6S9 V10 F13 R30 L61 A118 R119 P122Y7-S9 PolarHBondContact O-N 2.93Å; Y7-V10 WeakPolarHBondContact O-CB 3.45Å; Y7-V10 PolarHBondContact O-N 3.1Å; Y7-F13 HydrophobicContact CD2-CE1 4.47Å; Y7-F13 AromaticContact CE2-CE1 3.6Å; Y7-F13 HydrophobicContact CE2-CE1 3.6Å; Y7-F13 HydrophobicContact CE2-CZ 4.32Å; Y7-F13 AromaticContact CZ-CE1 3.91Å; Y7-R30 PolarHBondContact O-NH2 2.83Å; Y7-L61 HydrophobicContact CD2-CD2 4.32Å; Y7-L61 HydrophobicContact CE2-CD2 4.34Å; Y7-A118 WeakPolarHBondContact CE2-O 3.17Å; Y7-A118 PolarHBondContact OH-O 3.18Å; Y7-R119 PolarHBondContact OH-O 3.33Å; Y7-P122 HydrophobicContact CD1-CB 4.27Å; Y7-P122 HydrophobicContact CD1-CG 4.34Å; Y7-P122 HydrophobicContact CD2-CB 3.83Å; Y7-P122 HydrophobicContact CE1-CB 4.08Å; Y7-P122 HydrophobicContact CE1-CG 3.88Å; Y7-P122 HydrophobicContact CE2-CB 3.61Å; Y7-P122 HydrophobicContact CE2-CG 4.2Å; Y7-P122 HydrophobicContact CG-CB 4.15Å
8E89.3Confident79.1Confident107 Ų10754.9 Ų54.950%0.530%0.298SS..Hα-helixtrans-65.4-25.2-175.7-70.2-53.1152.100113.8S5 R30S5-E8 PolarHBondContact O-N 3.37Å; E8-R30 VanDerWaalsContact C-NH2 3.29Å; E8-R30 PolarHBondContact O-NH2 3.43Å; E8-R30 IonicContact OE2-CZ 3.43Å; E8-R30 IonicContact OE2-NH1 2.87Å; E8-R30 PolarHBondContact OE2-NH1 3.46Å; E8-R30 IonicContact OE2-NH2 2.9Å; E8-R30 PolarHBondContact OE2-NH2 3.25Å
9S91.8Very high79.8Confident51 Ų5153.2 Ų53.236%0.35729%0.294SS..THydrogen-bonded Turntrans-82.3-14.7175.250.90000114.1D6 Y7 Q11 Q59D6-S9 PolarHBondContact O-OG 3.13Å; Y7-S9 PolarHBondContact O-N 2.93Å; S9-Q11 PolarHBondContact O-N 2.91Å; S9-Q11 PolarHBondContact O-NE2 3.19Å; S9-Q59 PolarHBondContact OG-OE1 3.15Å
10V95.5Very high80.3Confident0 Ų058.8 Ų58.80%032%0.315CS..EExtended strand (participates in β ladder)trans-64.3126.7178.3-179.90000111.5D6 Y7 V12 F13 R30 L61 L84D6-V10 WeakPolarHBondContact O-CG2 3.43Å; Y7-V10 WeakPolarHBondContact O-CB 3.45Å; Y7-V10 PolarHBondContact O-N 3.1Å; V10-V12 VanDerWaalsContact CG1-O 3.32Å; V10-V12 WeakPolarHBondContact CG1-O 3.42Å; V10-F13 HydrophobicContact CB-CE1 4.09Å; V10-F13 HydrophobicContact CB-CZ 4.11Å; V10-F13 HydrophobicContact CG1-CD1 3.87Å; V10-F13 HydrophobicContact CG1-CE1 3.5Å; V10-F13 VanDerWaalsContact CG1-CE1 3.5Å; V10-F13 HydrophobicContact CG1-CE2 4.18Å; V10-F13 HydrophobicContact CG1-CG 4.37Å; V10-F13 HydrophobicContact CG1-CZ 3.67Å; V10-R30 PolarHBondContact O-NE 3.05Å; V10-R30 PolarHBondContact O-NH2 3.01Å; V10-L61 HydrophobicContact CG1-CB 3.66Å; V10-L61 HydrophobicContact CG2-CB 3.99Å; V10-L84 HydrophobicContact CG2-CD1 3.74Å
11Q97.5Very high80.9Confident80 Ų8062.6 Ų62.637%0.37434%0.336SS..EExtended strand (participates in β ladder)trans-106.7-26.3175.9-60.4-52.3-48.400113.1S9 N29 R30 H57 Q59S9-Q11 PolarHBondContact O-N 2.91Å; S9-Q11 PolarHBondContact O-NE2 3.19Å; Q11-N29 CarbonylContact O-C 3.52Å; Q11-N29 VanDerWaalsContact O-CA 3.22Å; Q11-N29 WeakPolarHBondContact O-CA 3.47Å; Q11-R30 PolarHBondContact O-N 3.21Å; Q11-H57 VanDerWaalsContact CB-O 3.28Å; Q11-H57 WeakPolarHBondContact CB-O 3.36Å; Q11-Q59 PolarHBondContact N-O 3.18Å
12V98.1Very high84.2Confident0 Ų054.3 Ų54.30%030%0.299CS..EExtended strand (participates in β ladder)trans-126.9128.8-176-176.30000110.4V10 I14 A27 I28 L35 H57 Q59 I60 L61V10-V12 VanDerWaalsContact CG1-O 3.32Å; V10-V12 WeakPolarHBondContact CG1-O 3.42Å; V12-I14 HydrophobicContact CG1-CG1 4.15Å; V12-A27 HydrophobicContact CG1-CB 4.18Å; V12-I28 WeakPolarHBondContact CA-O 3.29Å; V12-L35 HydrophobicContact CG1-CD1 4.18Å; V12-L35 HydrophobicContact CG2-CD1 3.97Å; V12-H57 HydrophobicContact CG2-CB 3.54Å; V12-Q59 PolarHBondContact N-O 3.48Å; V12-Q59 VanDerWaalsContact N-O 3.14Å; V12-I60 HydrophobicContact CB-CG1 4.17Å; V12-I60 CarbonylContact O-C 3.46Å; V12-I60 WeakPolarHBondContact O-CA 3.26Å; V12-L61 PolarHBondContact O-N 2.92Å
13F98.1Very high87.2Confident1 Ų149 Ų490%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-113.2115.6178.2-54.3-90.3000108.7Y7 V10 A27 I28 R30 L61 A118 R119Y7-F13 HydrophobicContact CD2-CE1 4.47Å; Y7-F13 AromaticContact CE2-CE1 3.6Å; Y7-F13 HydrophobicContact CE2-CE1 3.6Å; Y7-F13 HydrophobicContact CE2-CZ 4.32Å; Y7-F13 AromaticContact CZ-CE1 3.91Å; V10-F13 HydrophobicContact CB-CE1 4.09Å; V10-F13 HydrophobicContact CB-CZ 4.11Å; V10-F13 HydrophobicContact CG1-CD1 3.87Å; V10-F13 HydrophobicContact CG1-CE1 3.5Å; V10-F13 VanDerWaalsContact CG1-CE1 3.5Å; V10-F13 HydrophobicContact CG1-CE2 4.18Å; V10-F13 HydrophobicContact CG1-CG 4.37Å; V10-F13 HydrophobicContact CG1-CZ 3.67Å; F13-A27 CarbonylContact O-C 3.36Å; F13-A27 VanDerWaalsContact O-CA 3.32Å; F13-A27 WeakPolarHBondContact O-CA 3.34Å; F13-I28 HydrophobicContact CB-CG1 3.93Å; F13-I28 HydrophobicContact CD2-CG1 4.49Å; F13-I28 PolarHBondContact N-O 3.22Å; F13-I28 PolarHBondContact O-N 3.4Å; F13-R30 HydrophobicContact CE2-CG 4.18Å; F13-L61 HydrophobicContact CD1-CB 4.35Å; F13-L61 HydrophobicContact CD1-CD2 4.12Å; F13-L61 HydrophobicContact CE1-CD2 4.33Å; F13-A118 HydrophobicContact CB-CB 4.29Å; F13-A118 HydrophobicContact CD1-CB 4.16Å; F13-R119 HydrophobicContact CB-CB 4.31Å; F13-R119 HydrophobicContact CD1-CB 4.14Å; F13-R119 HydrophobicContact CD2-CB 3.74Å; F13-R119 HydrophobicContact CD2-CG 3.69Å; F13-R119 HydrophobicContact CE1-CB 4.44Å; F13-R119 HydrophobicContact CE2-CB 4.08Å; F13-R119 HydrophobicContact CE2-CG 3.68Å; F13-R119 HydrophobicContact CG-CB 3.78Å; F13-R119 HydrophobicContact CG-CG 4.27Å; F13-R119 HydrophobicContact CZ-CB 4.41Å; F13-R119 HydrophobicContact CZ-CG 4.23Å
14I98Very high89.4Confident0 Ų045.5 Ų45.50%025%0.25CS..EExtended strand (participates in β ladder)trans-104.9114.7178.1-51.8177.4000108.2V12 V16 A25 V26 A27 L54 I60 L61 L62 V63V12-I14 HydrophobicContact CG1-CG1 4.15Å; I14-V16 HydrophobicContact CG2-CG2 3.81Å; I14-A25 HydrophobicContact CG2-CB 4.47Å; I14-V26 CarbonylContact C-O 3.56Å; I14-V26 WeakPolarHBondContact CA-O 3.31Å; I14-A27 HydrophobicContact CG1-CB 4Å; I14-L54 HydrophobicContact CD1-CD1 3.43Å; I14-L54 VanDerWaalsContact CD1-CD1 3.43Å; I14-L54 HydrophobicContact CG1-CD1 3.91Å; I14-I60 HydrophobicContact CD1-CG2 3.41Å; I14-I60 VanDerWaalsContact CD1-CG2 3.41Å; I14-I60 HydrophobicContact CG1-CG2 3.78Å; I14-L61 PolarHBondContact N-O 2.98Å; I14-L62 HydrophobicContact CB-CB 4.42Å; I14-L62 HydrophobicContact CB-CG 4.41Å; I14-L62 HydrophobicContact CG2-CD1 4.33Å; I14-L62 CarbonylContact O-C 3.52Å; I14-L62 WeakPolarHBondContact O-CA 3.47Å; I14-V63 PolarHBondContact O-N 3.37Å
15G97.3Very high91.8Very high0 Ų041.5 Ų41.50%022%0.222CC..EExtended strand (participates in β ladder)trans-95126.5166.400000110A25 V26G15-A25 WeakPolarHBondContact O-CA 3.41Å; G15-V26 PolarHBondContact N-O 2.84Å; G15-V26 PolarHBondContact O-N 2.84Å
16V96.7Very high93.9Very high1 Ų138.3 Ų38.31%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-118.3114.9178.3-173.70000108.7I14 V18 H23 H24 A25 L62 V63 V64 I114I14-V16 HydrophobicContact CG2-CG2 3.81Å; V16-V18 HydrophobicContact CB-CG1 4.41Å; V16-V18 HydrophobicContact CG1-CG1 3.77Å; V16-H23 HydrophobicContact CG1-CB 3.81Å; V16-H24 WeakPolarHBondContact CA-O 3.32Å; V16-A25 HydrophobicContact CG2-CB 4.22Å; V16-L62 HydrophobicContact CG2-CD1 4.07Å; V16-L62 HydrophobicContact CG2-CD2 4.48Å; V16-L62 HydrophobicContact CG2-CG 4.14Å; V16-V63 PolarHBondContact N-O 2.92Å; V16-V64 HydrophobicContact CB-CG1 4.07Å; V16-I114 WeakPolarHBondContact O-CD1 3.37Å
17D95.1Very high94.9Very high15 Ų1534.4 Ų34.48%0.0818%0.179CC..EExtended strand (participates in β ladder)trans-84.4120.9163.7-175.627.6000109H23 H24 D107 D110 A111D17-H23 CarbonylContact O-C 3.55Å; D17-H23 VanDerWaalsContact O-CA 3.25Å; D17-H23 WeakPolarHBondContact O-CA 3.49Å; D17-H23 WeakPolarHBondContact O-CB 3.37Å; D17-H24 PolarHBondContact N-O 3.45Å; D17-H24 PolarHBondContact O-N 3.27Å; D17-D107 VanDerWaalsContact OD2-CA 3.23Å; D17-D107 WeakPolarHBondContact OD2-CA 3.28Å; D17-D107 WeakPolarHBondContact OD2-CB 3.28Å; D17-D110 HydrophobicContact CB-CB 4.12Å; D17-A111 HydrophobicContact CB-CB 4.01Å
18V93.4Very high95.4Very high6 Ų632.9 Ų32.94%0.03617%0.173CC..  trans-99.3105-163.7-67.10000111.3V16 V64 Q66 I70 P74V16-V18 HydrophobicContact CB-CG1 4.41Å; V16-V18 HydrophobicContact CG1-CG1 3.77Å; V18-V64 HydrophobicContact CG1-CB 4.37Å; V18-V64 HydrophobicContact CG1-CG1 3.91Å; V18-Q66 HydrophobicContact CG2-CB 3.79Å; V18-Q66 HydrophobicContact CG2-CG 4.46Å; V18-I70 HydrophobicContact CB-CB 4.06Å; V18-I70 HydrophobicContact CB-CG2 3.77Å; V18-I70 HydrophobicContact CG2-CB 4.07Å; V18-I70 HydrophobicContact CG2-CG2 4.33Å; V18-P74 HydrophobicContact CG1-CG 4.4Å
19G91.1Very high95.8Very high22 Ų2229.5 Ų29.523%0.22716%0.158CC..  trans-101.8160.8170.900000113.6T22 H23 I70G19-T22 CarbonylContact C-O 3.49Å; G19-T22 WeakPolarHBondContact CA-O 3.42Å; G19-T22 PolarHBondContact N-O 3.32Å; G19-H23 PolarHBondContact N-ND1 2.81Å; G19-H23 PolarHBondContact O-CE1 3.41Å; G19-H23 PolarHBondContact O-ND1 3.05Å; G19-I70 WeakPolarHBondContact O-CG2 3.29Å
20K89.5Confident96Very high164 Ų16431 Ų3171%0.71316%0.156SC*.SBendtrans-61.7-50.7-175.2-69.7-178.7179178.40112.7N42 I70K20-N42 WeakPolarHBondContact O-CB 3.37Å; K20-N42 PolarHBondContact O-ND2 2.71Å; K20-I70 HydrophobicContact CG-CD1 3.83Å
21D92.7Very high95.9Very high139 Ų13935.7 Ų35.774%0.74319%0.189SC*.SBendtrans-94.5-42.2-177.6-54-51.3000111.2N42D21-N42 PolarHBondContact O-N 3.26Å
22T95.1Very high95.8Very high69 Ų6933.3 Ų33.342%0.42319%0.186SC..EExtended strand (participates in β ladder)trans-132.5133.1-179.652.60000110.1G19 L40G19-T22 CarbonylContact C-O 3.49Å; G19-T22 WeakPolarHBondContact CA-O 3.42Å; G19-T22 PolarHBondContact N-O 3.32Å; T22-L40 CarbonylContact C-O 3.59Å; T22-L40 WeakPolarHBondContact CA-O 3.4Å
23H94.9Very high95.8Very high1 Ų140 Ų401%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-84.6164.4160.8-49.2-36.5000109.8V16 D17 G19 A39 L40 N42 P74V16-H23 HydrophobicContact CG1-CB 3.81Å; D17-H23 CarbonylContact O-C 3.55Å; D17-H23 VanDerWaalsContact O-CA 3.25Å; D17-H23 WeakPolarHBondContact O-CA 3.49Å; D17-H23 WeakPolarHBondContact O-CB 3.37Å; G19-H23 PolarHBondContact N-ND1 2.81Å; G19-H23 PolarHBondContact O-CE1 3.41Å; G19-H23 PolarHBondContact O-ND1 3.05Å; H23-A39 CarbonylContact O-C 3.58Å; H23-A39 VanDerWaalsContact O-CA 3.3Å; H23-A39 WeakPolarHBondContact O-CA 3.41Å; H23-L40 PolarHBondContact N-O 3Å; H23-L40 PolarHBondContact O-N 3.12Å; H23-N42 PolarHBondContact CE1-OD1 2.78Å; H23-N42 PolarHBondContact NE2-OD1 3.24Å; H23-N42 VanDerWaalsContact NE2-OD1 3.09Å; H23-P74 WeakPolarHBondContact NE2-CG 3.46Å
24H97.2Very high95.7Very high27 Ų2746.1 Ų46.113%0.12524%0.238CC..EExtended strand (participates in β ladder)trans-116.2128.5158.8-158.9104.5000108.6V16 D17 D37 A39 D107 A108 A111V16-H24 WeakPolarHBondContact CA-O 3.32Å; D17-H24 PolarHBondContact N-O 3.45Å; D17-H24 PolarHBondContact O-N 3.27Å; H24-D37 IonicContact CD2-OD1 3.57Å; H24-D37 IonicContact CE1-OD1 3.04Å; H24-D37 IonicContact NE2-OD1 3.33Å; H24-D37 PolarHBondContact NE2-OD1 3.35Å; H24-A39 PolarHBondContact ND1-N 3.29Å; H24-D107 HydrophobicContact CB-CB 3.83Å; H24-A108 VanDerWaalsContact CD2-CA 3.47Å; H24-A108 WeakPolarHBondContact CD2-CA 3.43Å; H24-A108 WeakPolarHBondContact NE2-CB 3.23Å; H24-A111 HydrophobicContact CB-CB 4.24Å; H24-A111 WeakPolarHBondContact O-CB 3.48Å
25A97.9Very high95.7Very high0 Ų048.5 Ų48.50%025%0.251CS..EExtended strand (participates in β ladder)trans-117.5135-179.600000110.3I14 G15 V16 F36 D37 K38 L50I14-A25 HydrophobicContact CG2-CB 4.47Å; G15-A25 WeakPolarHBondContact O-CA 3.41Å; V16-A25 HydrophobicContact CG2-CB 4.22Å; A25-F36 HydrophobicContact CB-CD1 4.22Å; A25-F36 HydrophobicContact CB-CE1 3.96Å; A25-F36 VanDerWaalsContact O-CD1 3.25Å; A25-F36 WeakPolarHBondContact O-CD1 3.22Å; A25-F36 WeakPolarHBondContact O-CE1 3.5Å; A25-D37 WeakPolarHBondContact O-CA 3.46Å; A25-K38 PolarHBondContact N-O 2.79Å; A25-K38 PolarHBondContact O-N 3.38Å; A25-K38 VanDerWaalsContact O-N 3.16Å; A25-L50 HydrophobicContact CB-CD2 3.94Å
26V98.1Very high95.7Very high1 Ų150.6 Ų50.61%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-123.5123.6172.7175.40000108.1I14 G15 I28 F36 D37 A111 A112 A115I14-V26 CarbonylContact C-O 3.56Å; I14-V26 WeakPolarHBondContact CA-O 3.31Å; G15-V26 PolarHBondContact N-O 2.84Å; G15-V26 PolarHBondContact O-N 2.84Å; V26-I28 HydrophobicContact CG1-CG2 4.09Å; V26-F36 CarbonylContact C-O 3.51Å; V26-F36 WeakPolarHBondContact CA-O 3.28Å; V26-D37 HydrophobicContact CG2-CB 4.37Å; V26-A111 HydrophobicContact CB-CB 4.29Å; V26-A111 HydrophobicContact CG2-CB 3.77Å; V26-A112 HydrophobicContact CG1-CB 4.33Å; V26-A112 HydrophobicContact CG2-CB 4.16Å; V26-A115 HydrophobicContact CB-CB 4.3Å; V26-A115 HydrophobicContact CG1-CB 4.15Å; V26-A115 WeakPolarHBondContact O-CB 3.41Å
27A98.4Very high95.7Very high0 Ų053.7 Ų53.70%028%0.276CS..EExtended strand (participates in β ladder)trans-110128.2173.400000110V12 F13 I14 R34 L35 F36 L54V12-A27 HydrophobicContact CG1-CB 4.18Å; F13-A27 CarbonylContact O-C 3.36Å; F13-A27 VanDerWaalsContact O-CA 3.32Å; F13-A27 WeakPolarHBondContact O-CA 3.34Å; I14-A27 HydrophobicContact CG1-CB 4Å; A27-R34 WeakPolarHBondContact O-CA 3.21Å; A27-L35 HydrophobicContact CB-CB 4.34Å; A27-L35 PolarHBondContact O-N 2.9Å; A27-F36 HydrophobicContact CB-CB 3.75Å; A27-F36 PolarHBondContact N-O 2.92Å; A27-F36 PolarHBondContact O-N 2.72Å; A27-L54 HydrophobicContact CB-CD1 3.56Å; A27-L54 HydrophobicContact CB-CD2 4.05Å; A27-L54 HydrophobicContact CB-CG 4.49Å
28I98Very high95.8Very high6 Ų659.4 Ų59.43%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-125.5147.3175.562.1-178000110.3V12 F13 V26 K33 R34 A115 E116 R119V12-I28 WeakPolarHBondContact CA-O 3.29Å; F13-I28 HydrophobicContact CB-CG1 3.93Å; F13-I28 HydrophobicContact CD2-CG1 4.49Å; F13-I28 PolarHBondContact N-O 3.22Å; F13-I28 PolarHBondContact O-N 3.4Å; V26-I28 HydrophobicContact CG1-CG2 4.09Å; I28-K33 WeakPolarHBondContact CA-O 3.32Å; I28-R34 HydrophobicContact CG2-CG 3.95Å; I28-A115 HydrophobicContact CD1-CB 4.02Å; I28-A115 WeakPolarHBondContact CD1-O 3.39Å; I28-A115 HydrophobicContact CG1-CB 4.12Å; I28-E116 HydrophobicContact CD1-CB 4.41Å; I28-E116 VanDerWaalsContact CD1-OE2 3.31Å; I28-E116 WeakPolarHBondContact CD1-OE2 3.16Å; I28-R119 HydrophobicContact CD1-CB 3.89Å; I28-R119 HydrophobicContact CD1-CG 4.37Å; I28-R119 HydrophobicContact CG1-CB 4.48Å
29N97.5Very high95.9Very high37 Ų3762.1 Ų62.120%0.19832%0.323CS..EExtended strand (participates in β ladder)trans-86.4177.2172.273.2-1.3000111.8Q11 S31 G32 K33 L35 R119Q11-N29 CarbonylContact O-C 3.52Å; Q11-N29 VanDerWaalsContact O-CA 3.22Å; Q11-N29 WeakPolarHBondContact O-CA 3.47Å; N29-S31 PolarHBondContact ND2-OG 2.99Å; N29-S31 PolarHBondContact O-N 2.86Å; N29-S31 PolarHBondContact OD1-N 2.81Å; N29-S31 VanDerWaalsContact OD1-N 3.13Å; N29-S31 PolarHBondContact OD1-OG 3.05Å; N29-G32 PolarHBondContact O-N 3.18Å; N29-G32 PolarHBondContact OD1-N 3.41Å; N29-G32 VanDerWaalsContact OD1-N 3.1Å; N29-K33 PolarHBondContact N-O 2.84Å; N29-K33 WeakPolarHBondContact OD1-CB 3.34Å; N29-K33 PolarHBondContact OD1-N 2.69Å; N29-K33 PolarHBondContact OD1-O 3.44Å; N29-L35 HydrophobicContact CB-CD1 4.14Å; N29-L35 HydrophobicContact CB-CG 4.42Å; N29-R119 WeakPolarHBondContact O-CD 3.35Å
30R95.3Very high96.1Very high83 Ų8361.7 Ų61.731%0.31332%0.316SS..THydrogen-bonded Turntrans-48.3-39.7174-80.9-101.8174.8176.5-15.1114.3Y7 E8 V10 Q11 F13 G32 R119Y7-R30 PolarHBondContact O-NH2 2.83Å; E8-R30 VanDerWaalsContact C-NH2 3.29Å; E8-R30 PolarHBondContact O-NH2 3.43Å; E8-R30 IonicContact OE2-CZ 3.43Å; E8-R30 IonicContact OE2-NH1 2.87Å; E8-R30 PolarHBondContact OE2-NH1 3.46Å; E8-R30 IonicContact OE2-NH2 2.9Å; E8-R30 PolarHBondContact OE2-NH2 3.25Å; V10-R30 PolarHBondContact O-NE 3.05Å; V10-R30 PolarHBondContact O-NH2 3.01Å; Q11-R30 PolarHBondContact O-N 3.21Å; F13-R30 HydrophobicContact CE2-CG 4.18Å; R30-G32 PolarHBondContact O-N 2.98Å; R30-R119 PolarHBondContact O-NH1 3.25Å; R30-R119 VanDerWaalsContact O-NH1 3.17Å
31S95.1Very high96.3Very high98 Ų9856.8 Ų56.869%0.68530%0.3SS*.THydrogen-bonded Turntrans-78.7-2.8-179.868.60000114.2N29N29-S31 PolarHBondContact ND2-OG 2.99Å; N29-S31 PolarHBondContact O-N 2.86Å; N29-S31 PolarHBondContact OD1-N 2.81Å; N29-S31 VanDerWaalsContact OD1-N 3.13Å; N29-S31 PolarHBondContact OD1-OG 3.05Å
32G94.4Very high96.4Very high30 Ų3052.8 Ų52.831%0.30928%0.279SS..  trans84.26-177.800000114.2N29 R30 R34N29-G32 PolarHBondContact O-N 3.18Å; N29-G32 PolarHBondContact OD1-N 3.41Å; N29-G32 VanDerWaalsContact OD1-N 3.1Å; R30-G32 PolarHBondContact O-N 2.98Å; G32-R34 PolarHBondContact O-N 2.87Å
33K97.2Very high96.4Very high139 Ų13952.4 Ų52.460%0.60428%0.275SS*.  trans-69.8127.9173-176-176.1177.4-177.40109.3I28 N29 L35I28-K33 WeakPolarHBondContact CA-O 3.32Å; N29-K33 PolarHBondContact N-O 2.84Å; N29-K33 WeakPolarHBondContact OD1-CB 3.34Å; N29-K33 PolarHBondContact OD1-N 2.69Å; N29-K33 PolarHBondContact OD1-O 3.44Å; K33-L35 PolarHBondContact O-N 3.44Å
34R97.1Very high96.5Very high131 Ų13156.3 Ų56.349%0.49429%0.293SS..EExtended strand (participates in β ladder)trans-68.7125.8172-66.4-177.7-172.7-112.1-8.5110.4A27 I28 G32 D37A27-R34 WeakPolarHBondContact O-CA 3.21Å; I28-R34 HydrophobicContact CG2-CG 3.95Å; G32-R34 PolarHBondContact O-N 2.87Å; R34-D37 IonicContact CZ-OD2 2.7Å; R34-D37 IonicContact NH1-OD2 3.39Å; R34-D37 PolarHBondContact NH1-OD2 3.46Å
35L97.3Very high96.5Very high50 Ų5060.1 Ų60.126%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-99.9-29.8173.3-57.3179.3000111.2V12 A27 N29 K33 L54 H57V12-L35 HydrophobicContact CG1-CD1 4.18Å; V12-L35 HydrophobicContact CG2-CD1 3.97Å; A27-L35 HydrophobicContact CB-CB 4.34Å; A27-L35 PolarHBondContact O-N 2.9Å; N29-L35 HydrophobicContact CB-CD1 4.14Å; N29-L35 HydrophobicContact CB-CG 4.42Å; K33-L35 PolarHBondContact O-N 3.44Å; L35-L54 HydrophobicContact CB-CD2 3.98Å; L35-L54 HydrophobicContact CD1-CD2 4.36Å; L35-H57 HydrophobicContact CD1-CB 4.1Å
36F97.5Very high96.5Very high44 Ų4465.3 Ų65.319%0.19334%0.337CS..EExtended strand (participates in β ladder)trans-149.7143.9179.5-173.3-89.9000110.2A25 V26 A27 K38 L50A25-F36 HydrophobicContact CB-CD1 4.22Å; A25-F36 HydrophobicContact CB-CE1 3.96Å; A25-F36 VanDerWaalsContact O-CD1 3.25Å; A25-F36 WeakPolarHBondContact O-CD1 3.22Å; A25-F36 WeakPolarHBondContact O-CE1 3.5Å; V26-F36 CarbonylContact C-O 3.51Å; V26-F36 WeakPolarHBondContact CA-O 3.28Å; A27-F36 HydrophobicContact CB-CB 3.75Å; A27-F36 PolarHBondContact N-O 2.92Å; A27-F36 PolarHBondContact O-N 2.72Å; F36-K38 HydrophobicContact CE1-CB 3.84Å; F36-K38 HydrophobicContact CE1-CG 4.47Å; F36-K38 HydrophobicContact CE2-CB 4.34Å; F36-K38 HydrophobicContact CE2-CD 4.19Å; F36-K38 HydrophobicContact CE2-CG 4.35Å; F36-K38 HydrophobicContact CZ-CB 3.65Å; F36-K38 HydrophobicContact CZ-CD 4.31Å; F36-K38 HydrophobicContact CZ-CG 4.14Å; F36-L50 HydrophobicContact CB-CD1 4.36Å; F36-L50 HydrophobicContact CD1-CD1 3.84Å; F36-L50 HydrophobicContact CD2-CD1 3.57Å; F36-L50 HydrophobicContact CE1-CD1 3.95Å; F36-L50 HydrophobicContact CE1-CD2 4.36Å; F36-L50 HydrophobicContact CE2-CD1 3.66Å; F36-L50 HydrophobicContact CG-CD1 3.66Å; F36-L50 HydrophobicContact CZ-CD1 3.84Å
37D97.2Very high96.5Very high65 Ų6565.4 Ų65.435%0.34834%0.337SS..EExtended strand (participates in β ladder)trans-161.485.9176.3-171.2-16.7000109.5H24 A25 V26 R34H24-D37 IonicContact CD2-OD1 3.57Å; H24-D37 IonicContact CE1-OD1 3.04Å; H24-D37 IonicContact NE2-OD1 3.33Å; H24-D37 PolarHBondContact NE2-OD1 3.35Å; A25-D37 WeakPolarHBondContact O-CA 3.46Å; V26-D37 HydrophobicContact CG2-CB 4.37Å; R34-D37 IonicContact CZ-OD2 2.7Å; R34-D37 IonicContact NH1-OD2 3.39Å; R34-D37 PolarHBondContact NH1-OD2 3.46Å
38K96.9Very high96.4Very high136 Ų13668.9 Ų68.959%0.59135%0.35SS*.EExtended strand (participates in β ladder)trans-152.5157.7-179-57.7-176.9-178.2176.20111.7A25 F36A25-K38 PolarHBondContact N-O 2.79Å; A25-K38 PolarHBondContact O-N 3.38Å; A25-K38 VanDerWaalsContact O-N 3.16Å; F36-K38 HydrophobicContact CE1-CB 3.84Å; F36-K38 HydrophobicContact CE1-CG 4.47Å; F36-K38 HydrophobicContact CE2-CB 4.34Å; F36-K38 HydrophobicContact CE2-CD 4.19Å; F36-K38 HydrophobicContact CE2-CG 4.35Å; F36-K38 HydrophobicContact CZ-CB 3.65Å; F36-K38 HydrophobicContact CZ-CD 4.31Å; F36-K38 HydrophobicContact CZ-CG 4.14Å
39A96.3Very high96.4Very high63 Ų6371.7 Ų71.752%0.52137%0.371SS..EExtended strand (participates in β ladder)trans-63.1141.516200000110.2H23 H24H23-A39 CarbonylContact O-C 3.58Å; H23-A39 VanDerWaalsContact O-CA 3.3Å; H23-A39 WeakPolarHBondContact O-CA 3.41Å; H24-A39 PolarHBondContact ND1-N 3.29Å
40L94.2Very high96.4Very high13 Ų1370.5 Ų70.57%0.06836%0.364CS..EExtended strand (participates in β ladder)trans-131.3125.5-179.3-171.876.9000108T22 H23 K46 L47 L50T22-L40 CarbonylContact C-O 3.59Å; T22-L40 WeakPolarHBondContact CA-O 3.4Å; H23-L40 PolarHBondContact N-O 3Å; H23-L40 PolarHBondContact O-N 3.12Å; L40-K46 HydrophobicContact CD1-CB 3.76Å; L40-K46 HydrophobicContact CG-CB 4.15Å; L40-L47 HydrophobicContact CD2-CD2 3.45Å; L40-L47 VanDerWaalsContact CD2-CD2 3.45Å; L40-L47 HydrophobicContact CD2-CG 3.87Å; L40-L50 HydrophobicContact CD2-CD2 3.97Å
41P95Very high96.5Very high60 Ų6066.6 Ų66.639%0.3935%0.35SS..EExtended strand (participates in β ladder)trans-54.2145.3171.3-24.334.4000111.1D43 K46P41-D43 HydrophobicContact CB-CB 4.18Å; P41-D43 PolarHBondContact O-N 2.83Å; P41-K46 HydrophobicContact CB-CG 4.38Å; P41-K46 HydrophobicContact CG-CG 4.21Å
42N93.8Very high96.6Very high56 Ų5665.4 Ų65.430%0.29934%0.341SS..SBendtrans-71.672.3171.1-175.912.7000109.9K20 D21 H23K20-N42 WeakPolarHBondContact O-CB 3.37Å; K20-N42 PolarHBondContact O-ND2 2.71Å; D21-N42 PolarHBondContact O-N 3.26Å; H23-N42 PolarHBondContact CE1-OD1 2.78Å; H23-N42 PolarHBondContact NE2-OD1 3.24Å; H23-N42 VanDerWaalsContact NE2-OD1 3.09Å
43D95.8Very high96.7Very high61 Ų6168.8 Ų68.833%0.32635%0.352SS..  trans-141.1134-171.1174.4-96000110.3P41 N45 K46 L47P41-D43 HydrophobicContact CB-CB 4.18Å; P41-D43 PolarHBondContact O-N 2.83Å; D43-N45 PolarHBondContact O-N 2.8Å; D43-N45 WeakPolarHBondContact OD1-CA 3.4Å; D43-N45 VanDerWaalsContact OD1-CB 3.32Å; D43-N45 WeakPolarHBondContact OD1-CB 3.32Å; D43-N45 PolarHBondContact OD1-N 2.87Å; D43-K46 HydrophobicContact CB-CB 4.21Å; D43-K46 HydrophobicContact CB-CG 4.06Å; D43-K46 PolarHBondContact O-N 3.43Å; D43-K46 WeakPolarHBondContact OD1-CG 3.33Å; D43-K46 PolarHBondContact OD1-N 3.37Å; D43-L47 WeakPolarHBondContact O-CG 3.36Å; D43-L47 PolarHBondContact O-N 3.08Å
44E97Very high96.7Very high82 Ų8262.5 Ų62.538%0.38333%0.325SS..Hα-helixtrans-60-45.2-177.4173.2173.9-179.500112.3K46 L47 R48 L73 V77E44-K46 VanDerWaalsContact C-N 3.33Å; E44-K46 PolarHBondContact O-N 3.17Å; E44-L47 PolarHBondContact O-N 2.98Å; E44-R48 HydrophobicContact CG-CG 4.35Å; E44-R48 WeakPolarHBondContact O-CG 3.39Å; E44-R48 PolarHBondContact O-N 3.17Å; E44-R48 IonicContact OE1-CZ 3.71Å; E44-R48 IonicContact OE1-NE 3.75Å; E44-R48 PolarHBondContact OE1-NE 2.57Å; E44-R48 IonicContact OE1-NH2 2.71Å; E44-R48 PolarHBondContact OE1-NH2 2.97Å; E44-L73 HydrophobicContact CB-CD1 4.49Å; E44-V77 HydrophobicContact CB-CG2 4.34Å; E44-V77 HydrophobicContact CG-CG2 3.9Å
45N97.5Very high96.7Very high107 Ų10760.2 Ų60.257%0.57232%0.319SS*.Hα-helixtrans-65.4-41.1-176.5-64.4-49.3000110.4D43 R48 S49D43-N45 PolarHBondContact O-N 2.8Å; D43-N45 WeakPolarHBondContact OD1-CA 3.4Å; D43-N45 VanDerWaalsContact OD1-CB 3.32Å; D43-N45 WeakPolarHBondContact OD1-CB 3.32Å; D43-N45 PolarHBondContact OD1-N 2.87Å; N45-R48 PolarHBondContact O-N 3.3Å; N45-S49 PolarHBondContact O-N 2.86Å; N45-S49 PolarHBondContact O-OG 3.32Å; N45-S49 VanDerWaalsContact O-OG 3.06Å
46K97Very high96.6Very high110 Ų11065 Ų6548%0.47834%0.34SS..Hα-helixtrans-63-40.9175.6-64.8-57.7-177.3-172.90112.4L40 P41 D43 E44 L50L40-K46 HydrophobicContact CD1-CB 3.76Å; L40-K46 HydrophobicContact CG-CB 4.15Å; P41-K46 HydrophobicContact CB-CG 4.38Å; P41-K46 HydrophobicContact CG-CG 4.21Å; D43-K46 HydrophobicContact CB-CB 4.21Å; D43-K46 HydrophobicContact CB-CG 4.06Å; D43-K46 PolarHBondContact O-N 3.43Å; D43-K46 WeakPolarHBondContact OD1-CG 3.33Å; D43-K46 PolarHBondContact OD1-N 3.37Å; E44-K46 VanDerWaalsContact C-N 3.33Å; E44-K46 PolarHBondContact O-N 3.17Å; K46-L50 WeakPolarHBondContact O-CB 3.36Å; K46-L50 PolarHBondContact O-N 3.48Å
47L97.3Very high96.5Very high2 Ų267.1 Ų67.11%0.0135%0.35CS..Hα-helixtrans-64.2-44.6174.3-73.8161.5000111.9L40 D43 E44 L50 I51 L73 P74 V77L40-L47 HydrophobicContact CD2-CD2 3.45Å; L40-L47 VanDerWaalsContact CD2-CD2 3.45Å; L40-L47 HydrophobicContact CD2-CG 3.87Å; D43-L47 WeakPolarHBondContact O-CG 3.36Å; D43-L47 PolarHBondContact O-N 3.08Å; E44-L47 PolarHBondContact O-N 2.98Å; L47-L50 PolarHBondContact O-N 3.14Å; L47-I51 WeakPolarHBondContact O-CD1 3.23Å; L47-I51 WeakPolarHBondContact O-CG1 3.32Å; L47-I51 PolarHBondContact O-N 3.2Å; L47-L73 HydrophobicContact CD1-CD2 4.11Å; L47-L73 HydrophobicContact CD1-CG 3.92Å; L47-P74 HydrophobicContact CD1-CB 4.43Å; L47-P74 HydrophobicContact CD1-CG 4.09Å; L47-P74 HydrophobicContact CD2-CB 4.08Å; L47-P74 HydrophobicContact CD2-CG 4.15Å; L47-V77 HydrophobicContact CB-CB 4.2Å; L47-V77 HydrophobicContact CB-CG1 3.86Å; L47-V77 HydrophobicContact CB-CG2 4.31Å; L47-V77 HydrophobicContact CD1-CG2 4.16Å
48R97.8Very high96.4Very high73 Ų7365.5 Ų65.528%0.27535%0.349SS..Hα-helixtrans-61.9-45.9176.5-73.8-173.8-173.9-72.5-5.3111.9E44 N45 L50 I51 S52 V77 S80 E81E44-R48 HydrophobicContact CG-CG 4.35Å; E44-R48 WeakPolarHBondContact O-CG 3.39Å; E44-R48 PolarHBondContact O-N 3.17Å; E44-R48 IonicContact OE1-CZ 3.71Å; E44-R48 IonicContact OE1-NE 3.75Å; E44-R48 PolarHBondContact OE1-NE 2.57Å; E44-R48 IonicContact OE1-NH2 2.71Å; E44-R48 PolarHBondContact OE1-NH2 2.97Å; N45-R48 PolarHBondContact O-N 3.3Å; R48-L50 PolarHBondContact O-N 3.11Å; R48-I51 PolarHBondContact O-N 2.89Å; R48-S52 VanDerWaalsContact O-CB 3.32Å; R48-S52 WeakPolarHBondContact O-CB 3.43Å; R48-S52 PolarHBondContact O-N 2.9Å; R48-V77 HydrophobicContact CB-CG1 4.47Å; R48-V77 HydrophobicContact CG-CG1 3.53Å; R48-S80 PolarHBondContact NH1-OG 2.91Å; R48-S80 PolarHBondContact NH2-OG 3.35Å; R48-S80 VanDerWaalsContact NH2-OG 3.13Å; R48-E81 IonicContact CZ-OE1 3.1Å; R48-E81 IonicContact NH1-OE1 2.72Å; R48-E81 PolarHBondContact NH1-OE1 2.85Å
49S97.3Very high96.4Very high66 Ų6662.6 Ų62.646%0.46234%0.338SS..Hα-helixtrans-58.1-48.2176.1-62.50000111.5N45 I51 S52 D53N45-S49 PolarHBondContact O-N 2.86Å; N45-S49 PolarHBondContact O-OG 3.32Å; N45-S49 VanDerWaalsContact O-OG 3.06Å; S49-I51 VanDerWaalsContact C-N 3.35Å; S49-I51 PolarHBondContact O-N 2.94Å; S49-S52 PolarHBondContact O-N 3.47Å; S49-D53 WeakPolarHBondContact O-CB 3.18Å; S49-D53 VanDerWaalsContact O-CG 3.24Å; S49-D53 PolarHBondContact O-N 2.86Å
50L97.1Very high96.4Very high11 Ų1159.8 Ų59.86%0.05831%0.314CS..Hα-helixtrans-57.5-46.7176.9174.863.8000112.1A25 F36 L40 K46 L47 R48 L54A25-L50 HydrophobicContact CB-CD2 3.94Å; F36-L50 HydrophobicContact CB-CD1 4.36Å; F36-L50 HydrophobicContact CD1-CD1 3.84Å; F36-L50 HydrophobicContact CD2-CD1 3.57Å; F36-L50 HydrophobicContact CE1-CD1 3.95Å; F36-L50 HydrophobicContact CE1-CD2 4.36Å; F36-L50 HydrophobicContact CE2-CD1 3.66Å; F36-L50 HydrophobicContact CG-CD1 3.66Å; F36-L50 HydrophobicContact CZ-CD1 3.84Å; L40-L50 HydrophobicContact CD2-CD2 3.97Å; K46-L50 WeakPolarHBondContact O-CB 3.36Å; K46-L50 PolarHBondContact O-N 3.48Å; L47-L50 PolarHBondContact O-N 3.14Å; R48-L50 PolarHBondContact O-N 3.11Å; L50-L54 HydrophobicContact CD1-CD1 3.64Å; L50-L54 HydrophobicContact CD1-CG 4.22Å; L50-L54 HydrophobicContact CG-CD1 4.03Å; L50-L54 WeakPolarHBondContact O-CB 3.44Å; L50-L54 WeakPolarHBondContact O-CG 3.34Å; L50-L54 PolarHBondContact O-N 2.89Å; L50-L54 VanDerWaalsContact O-N 3.08Å
51I97.6Very high96.5Very high2 Ų259.8 Ų59.81%0.0131%0.314CS..Hα-helixtrans-65.3-45.9-179.8-73160.7000110.9L47 R48 S49 D53 L54 K55 I60 V77 A78 E81 V83L47-I51 WeakPolarHBondContact O-CD1 3.23Å; L47-I51 WeakPolarHBondContact O-CG1 3.32Å; L47-I51 PolarHBondContact O-N 3.2Å; R48-I51 PolarHBondContact O-N 2.89Å; S49-I51 VanDerWaalsContact C-N 3.35Å; S49-I51 PolarHBondContact O-N 2.94Å; I51-D53 VanDerWaalsContact C-N 3.34Å; I51-D53 PolarHBondContact O-N 3.14Å; I51-L54 PolarHBondContact O-N 3.38Å; I51-K55 HydrophobicContact CG2-CD 4.29Å; I51-K55 HydrophobicContact CG2-CG 4.36Å; I51-K55 WeakPolarHBondContact O-CG 3.47Å; I51-K55 PolarHBondContact O-N 2.99Å; I51-I60 HydrophobicContact CG2-CD1 4.34Å; I51-V77 HydrophobicContact CD1-CG1 3.94Å; I51-A78 HydrophobicContact CD1-CB 4.19Å; I51-E81 HydrophobicContact CD1-CG 4.38Å; I51-E81 HydrophobicContact CG2-CB 3.71Å; I51-E81 HydrophobicContact CG2-CG 3.93Å; I51-V83 HydrophobicContact CG2-CG2 3.59Å
52S96.9Very high96.5Very high73 Ų7357 Ų5751%0.5130%0.296SS..Hα-helixtrans-58.4-46.1177.7-175.90000111.5R48 S49 L54 K55R48-S52 VanDerWaalsContact O-CB 3.32Å; R48-S52 WeakPolarHBondContact O-CB 3.43Å; R48-S52 PolarHBondContact O-N 2.9Å; S49-S52 PolarHBondContact O-N 3.47Å; S52-L54 VanDerWaalsContact C-N 3.3Å; S52-L54 PolarHBondContact O-N 2.84Å; S52-K55 PolarHBondContact O-N 3.18Å
53D96.8Very high96.6Very high101 Ų10154.4 Ų54.454%0.5428%0.281SS..Hα-helixtrans-63.8-35.5178.4-70.8-12000111.9S49 I51 Q56S49-D53 WeakPolarHBondContact O-CB 3.18Å; S49-D53 VanDerWaalsContact O-CG 3.24Å; S49-D53 PolarHBondContact O-N 2.86Å; I51-D53 VanDerWaalsContact C-N 3.34Å; I51-D53 PolarHBondContact O-N 3.14Å; D53-Q56 VanDerWaalsContact O-CG 3.23Å; D53-Q56 WeakPolarHBondContact O-CG 3.37Å; D53-Q56 PolarHBondContact O-NE2 3.14Å
54L97.4Very high96.6Very high7 Ų751.5 Ų51.54%0.03727%0.266CS..Hα-helixtrans-83-20.7-179.2-70.1173.5000113.6I14 A27 L35 L50 I51 S52 Q56 H57 I60I14-L54 HydrophobicContact CD1-CD1 3.43Å; I14-L54 VanDerWaalsContact CD1-CD1 3.43Å; I14-L54 HydrophobicContact CG1-CD1 3.91Å; A27-L54 HydrophobicContact CB-CD1 3.56Å; A27-L54 HydrophobicContact CB-CD2 4.05Å; A27-L54 HydrophobicContact CB-CG 4.49Å; L35-L54 HydrophobicContact CB-CD2 3.98Å; L35-L54 HydrophobicContact CD1-CD2 4.36Å; L50-L54 HydrophobicContact CD1-CD1 3.64Å; L50-L54 HydrophobicContact CD1-CG 4.22Å; L50-L54 HydrophobicContact CG-CD1 4.03Å; L50-L54 WeakPolarHBondContact O-CB 3.44Å; L50-L54 WeakPolarHBondContact O-CG 3.34Å; L50-L54 PolarHBondContact O-N 2.89Å; L50-L54 VanDerWaalsContact O-N 3.08Å; I51-L54 PolarHBondContact O-N 3.38Å; S52-L54 VanDerWaalsContact C-N 3.3Å; S52-L54 PolarHBondContact O-N 2.84Å; L54-Q56 PolarHBondContact O-N 2.95Å; L54-H57 WeakPolarHBondContact O-CB 3.5Å; L54-H57 PolarHBondContact O-N 3.34Å; L54-I60 HydrophobicContact CB-CD1 3.78Å
55K96.1Very high96.3Very high83 Ų8348.8 Ų48.836%0.36125%0.254SS..Hα-helixtrans-59.9-27.5179.1-86.1174.6174.5179.50112.6I51 S52 H57 G58 I60 E81I51-K55 HydrophobicContact CG2-CD 4.29Å; I51-K55 HydrophobicContact CG2-CG 4.36Å; I51-K55 WeakPolarHBondContact O-CG 3.47Å; I51-K55 PolarHBondContact O-N 2.99Å; S52-K55 PolarHBondContact O-N 3.18Å; K55-H57 PolarHBondContact O-N 3.26Å; K55-H57 VanDerWaalsContact O-N 3.14Å; K55-G58 PolarHBondContact O-N 2.82Å; K55-G58 VanDerWaalsContact O-N 3.11Å; K55-I60 HydrophobicContact CG-CD1 3.87Å; K55-E81 WeakPolarHBondContact CE-O 3.44Å; K55-E81 PolarHBondContact NZ-O 2.77Å; K55-E81 IonicContact NZ-OE2 3.74Å; K55-E81 PolarHBondContact NZ-OE2 2.82Å
56Q95.4Very high95.8Very high151 Ų15147.4 Ų47.471%0.70624%0.244SC*.THydrogen-bonded Turntrans-61.7-19.5175.477.5-171.8-48.400113.4D53 L54D53-Q56 VanDerWaalsContact O-CG 3.23Å; D53-Q56 WeakPolarHBondContact O-CG 3.37Å; D53-Q56 PolarHBondContact O-NE2 3.14Å; L54-Q56 PolarHBondContact O-N 2.95Å
57H96.1Very high95.2Very high87 Ų8743.3 Ų43.340%0.40323%0.229SC..THydrogen-bonded Turntrans-93.32.9179.1-62.7-62.2000113.6Q11 V12 L35 L54 K55Q11-H57 VanDerWaalsContact CB-O 3.28Å; Q11-H57 WeakPolarHBondContact CB-O 3.36Å; V12-H57 HydrophobicContact CG2-CB 3.54Å; L35-H57 HydrophobicContact CD1-CB 4.1Å; L54-H57 WeakPolarHBondContact O-CB 3.5Å; L54-H57 PolarHBondContact O-N 3.34Å; K55-H57 PolarHBondContact O-N 3.26Å; K55-H57 VanDerWaalsContact O-N 3.14Å
58G95Very high94.3Very high32 Ų3247.7 Ų47.733%0.3327%0.265SS..SBendtrans112.1-165.4177.600000113.4K55 I60K55-G58 PolarHBondContact O-N 2.82Å; K55-G58 VanDerWaalsContact O-N 3.11Å; G58-I60 PolarHBondContact O-N 3.35Å
59Q96.3Very high93.5Very high75 Ų7548.3 Ų48.335%0.3528%0.278SS..EExtended strand (participates in β ladder)trans-66.7135.4-176.4-167.6176.121.300111.4S9 Q11 V12 L84S9-Q59 PolarHBondContact OG-OE1 3.15Å; Q11-Q59 PolarHBondContact N-O 3.18Å; V12-Q59 PolarHBondContact N-O 3.48Å; V12-Q59 VanDerWaalsContact N-O 3.14Å; Q59-L84 HydrophobicContact CG-CD1 4.47Å
60I97.2Very high93.1Very high3 Ų347.2 Ų47.22%0.01527%0.266CS..EExtended strand (participates in β ladder)trans-103.9140.9-174.1-56.7175.7000110.2V12 I14 I51 L54 K55 G58 V83 L84V12-I60 HydrophobicContact CB-CG1 4.17Å; V12-I60 CarbonylContact O-C 3.46Å; V12-I60 WeakPolarHBondContact O-CA 3.26Å; I14-I60 HydrophobicContact CD1-CG2 3.41Å; I14-I60 VanDerWaalsContact CD1-CG2 3.41Å; I14-I60 HydrophobicContact CG1-CG2 3.78Å; I51-I60 HydrophobicContact CG2-CD1 4.34Å; L54-I60 HydrophobicContact CB-CD1 3.78Å; K55-I60 HydrophobicContact CG-CD1 3.87Å; G58-I60 PolarHBondContact O-N 3.35Å; I60-V83 HydrophobicContact CB-CB 4.48Å; I60-V83 HydrophobicContact CB-CG1 3.71Å; I60-V83 HydrophobicContact CB-CG2 4.09Å; I60-V83 HydrophobicContact CD1-CG2 4.23Å; I60-V83 HydrophobicContact CG2-CG1 3.55Å; I60-V83 HydrophobicContact CG2-CG2 4.48Å; I60-L84 WeakPolarHBondContact O-CB 3.44Å; I60-L84 PolarHBondContact O-N 3Å; I60-L84 VanDerWaalsContact O-N 3.12Å
61L95.9Very high92.7Very high14 Ų1446.7 Ų46.77%0.07326%0.263CS..EExtended strand (participates in β ladder)trans-115.1114.7160.8176.160.1000109.5Y7 V10 V12 F13 I14 V63 L84 A118 L125Y7-L61 HydrophobicContact CD2-CD2 4.32Å; Y7-L61 HydrophobicContact CE2-CD2 4.34Å; V10-L61 HydrophobicContact CG1-CB 3.66Å; V10-L61 HydrophobicContact CG2-CB 3.99Å; V12-L61 PolarHBondContact O-N 2.92Å; F13-L61 HydrophobicContact CD1-CB 4.35Å; F13-L61 HydrophobicContact CD1-CD2 4.12Å; F13-L61 HydrophobicContact CE1-CD2 4.33Å; I14-L61 PolarHBondContact N-O 2.98Å; L61-V63 HydrophobicContact CD1-CG2 4.3Å; L61-V63 HydrophobicContact CD2-CG2 4.28Å; L61-V63 HydrophobicContact CG-CG2 3.9Å; L61-L84 CarbonylContact C-O 3.59Å; L61-L84 WeakPolarHBondContact CA-O 3.31Å; L61-L84 HydrophobicContact CD1-CB 3.85Å; L61-A118 HydrophobicContact CD2-CB 4.5Å; L61-L125 HydrophobicContact CD2-CD1 3.81Å
62L96.3Very high92.3Very high2 Ų248.9 Ų48.91%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-97.2127.6173.7-176.5144.6000110.4I14 V16 V64 P74 A78 V83 L84 V85 G86I14-L62 HydrophobicContact CB-CB 4.42Å; I14-L62 HydrophobicContact CB-CG 4.41Å; I14-L62 HydrophobicContact CG2-CD1 4.33Å; I14-L62 CarbonylContact O-C 3.52Å; I14-L62 WeakPolarHBondContact O-CA 3.47Å; V16-L62 HydrophobicContact CG2-CD1 4.07Å; V16-L62 HydrophobicContact CG2-CD2 4.48Å; V16-L62 HydrophobicContact CG2-CG 4.14Å; L62-V64 HydrophobicContact CD2-CG1 4.02Å; L62-P74 HydrophobicContact CD2-CB 4.43Å; L62-A78 HydrophobicContact CB-CB 4.24Å; L62-A78 HydrophobicContact CD1-CB 4.18Å; L62-A78 HydrophobicContact CD2-CB 4.34Å; L62-A78 HydrophobicContact CG-CB 4.49Å; L62-V83 HydrophobicContact CB-CG1 4.06Å; L62-L84 PolarHBondContact N-O 3.39Å; L62-V85 CarbonylContact O-C 3.56Å; L62-V85 VanDerWaalsContact O-CA 3.32Å; L62-V85 WeakPolarHBondContact O-CA 3.38Å; L62-G86 PolarHBondContact O-N 2.94Å
63V95.8Very high92.1Very high0 Ų048.1 Ų48.10%027%0.272CS..EExtended strand (participates in β ladder)trans-124.3133.3-178.2-175.80000110.5I14 V16 L61 G86 L88 I114 A118 L125I14-V63 PolarHBondContact O-N 3.37Å; V16-V63 PolarHBondContact N-O 2.92Å; L61-V63 HydrophobicContact CD1-CG2 4.3Å; L61-V63 HydrophobicContact CD2-CG2 4.28Å; L61-V63 HydrophobicContact CG-CG2 3.9Å; V63-G86 WeakPolarHBondContact CA-O 3.39Å; V63-L88 HydrophobicContact CG1-CB 3.91Å; V63-I114 HydrophobicContact CB-CG2 3.75Å; V63-I114 HydrophobicContact CG1-CG2 3.57Å; V63-I114 WeakPolarHBondContact O-CG2 3.35Å; V63-A118 HydrophobicContact CB-CB 4.24Å; V63-A118 HydrophobicContact CG2-CB 3.56Å; V63-L125 HydrophobicContact CG1-CD2 3.85Å; V63-L125 HydrophobicContact CG2-CD1 4.14Å; V63-L125 HydrophobicContact CG2-CD2 4.25Å
64V94.8Very high92Very high0 Ų043.3 Ų43.30%025%0.246CC..EExtended strand (participates in β ladder)trans-121.6161.6173-65.80000110V16 V18 L62 P67 P74 V75 G86 Y87 L88V16-V64 HydrophobicContact CB-CG1 4.07Å; V18-V64 HydrophobicContact CG1-CB 4.37Å; V18-V64 HydrophobicContact CG1-CG1 3.91Å; L62-V64 HydrophobicContact CD2-CG1 4.02Å; V64-P67 HydrophobicContact CG2-CB 3.66Å; V64-P67 HydrophobicContact CG2-CG 4.44Å; V64-P74 HydrophobicContact CG1-CB 4.33Å; V64-V75 HydrophobicContact CG1-CG2 4.36Å; V64-V75 HydrophobicContact CG2-CG2 3.61Å; V64-G86 PolarHBondContact N-O 3.34Å; V64-Y87 WeakPolarHBondContact O-CA 3.38Å; V64-Y87 WeakPolarHBondContact O-CD2 3.33Å; V64-L88 PolarHBondContact O-N 2.95Å
65D90.8Very high91.8Very high25 Ų2543.5 Ų43.513%0.13425%0.247CC..SBendtrans-99.4-12.8173.278-38.9000113.5Y87 L88 I114D65-Y87 WeakPolarHBondContact O-CE2 3.41Å; D65-L88 WeakPolarHBondContact CA-O 3.49Å; D65-I114 HydrophobicContact CB-CD1 4.18Å
66Q86.3Confident91.5Very high78 Ų7842.1 Ų42.136%0.36425%0.251SS..  trans-136.469.2179.9-65.9173.658.700111.8V18 A68 T69 G71V18-Q66 HydrophobicContact CG2-CB 3.79Å; V18-Q66 HydrophobicContact CG2-CG 4.46Å; Q66-A68 VanDerWaalsContact C-N 3.28Å; Q66-A68 PolarHBondContact O-N 2.9Å; Q66-T69 PolarHBondContact O-N 3.33Å; Q66-T69 PolarHBondContact OE1-OG1 2.86Å; Q66-G71 WeakPolarHBondContact O-CA 3.42Å; Q66-G71 PolarHBondContact O-N 2.83Å
67P84.2Confident91.5Very high24 Ų2435.1 Ų35.116%0.15622%0.219CC..THydrogen-bonded Turntrans-70.3-19.3-17228.5-37.2000115V64 A72 V75 Y87 L128V64-P67 HydrophobicContact CG2-CB 3.66Å; V64-P67 HydrophobicContact CG2-CG 4.44Å; P67-A72 WeakPolarHBondContact O-CA 3.47Å; P67-A72 PolarHBondContact O-N 3.19Å; P67-V75 HydrophobicContact CB-CG2 4.24Å; P67-Y87 HydrophobicContact CG-CD1 4.2Å; P67-Y87 HydrophobicContact CG-CD2 3.64Å; P67-Y87 HydrophobicContact CG-CE2 4.11Å; P67-Y87 HydrophobicContact CG-CG 3.71Å; P67-L128 HydrophobicContact CB-CD1 3.58Å; P67-L128 HydrophobicContact CB-CD2 4.04Å; P67-L128 HydrophobicContact CB-CG 4.45Å; P67-L128 HydrophobicContact CG-CD1 4.29Å; P67-L128 HydrophobicContact CG-CD2 4Å
68A78.7Confident91.4Very high94 Ų9431 Ų3178%0.77720%0.2SC*.THydrogen-bonded Turntrans-101.22.5-174.800000113.7Q66Q66-A68 VanDerWaalsContact C-N 3.28Å; Q66-A68 PolarHBondContact O-N 2.9Å
69T82.7Confident91.1Very high87 Ų8732.9 Ų32.953%0.53420%0.197SC..THydrogen-bonded Turntrans-127.4-109.1178.7570000109.7Q66 G71 A72Q66-T69 PolarHBondContact O-N 3.33Å; Q66-T69 PolarHBondContact OE1-OG1 2.86Å; T69-G71 VanDerWaalsContact C-N 3.28Å; T69-G71 PolarHBondContact O-N 3.08Å; T69-A72 VanDerWaalsContact O-CB 3.25Å; T69-A72 WeakPolarHBondContact O-CB 3.31Å; T69-A72 PolarHBondContact O-N 2.99Å
70I88.3Confident91Very high43 Ų4332.6 Ų32.622%0.22120%0.203CC..THydrogen-bonded Turntrans-65.3-34.2-178-57.2174.2000110.6V18 G19 K20 A72V18-I70 HydrophobicContact CB-CB 4.06Å; V18-I70 HydrophobicContact CB-CG2 3.77Å; V18-I70 HydrophobicContact CG2-CB 4.07Å; V18-I70 HydrophobicContact CG2-CG2 4.33Å; G19-I70 WeakPolarHBondContact O-CG2 3.29Å; K20-I70 HydrophobicContact CG-CD1 3.83Å; I70-A72 PolarHBondContact O-N 3.41Å
71G89.1Confident90.8Very high0 Ų034.8 Ų34.80%021%0.213CC..THydrogen-bonded Turntrans-74.90.2177.900000115.4Q66 T69 L73 V75Q66-G71 WeakPolarHBondContact O-CA 3.42Å; Q66-G71 PolarHBondContact O-N 2.83Å; T69-G71 VanDerWaalsContact C-N 3.28Å; T69-G71 PolarHBondContact O-N 3.08Å; G71-L73 PolarHBondContact O-N 2.76Å; G71-V75 WeakPolarHBondContact O-CB 3.43Å; G71-V75 VanDerWaalsContact O-CG2 3.25Å; G71-V75 WeakPolarHBondContact O-CG2 3.25Å; G71-V75 PolarHBondContact O-N 3.26Å; G71-V75 VanDerWaalsContact O-N 3.15Å
72A89Confident90.6Very high47 Ų4737.2 Ų37.239%0.38824%0.242SC..Hα-helixtrans-61.7-43-179.700000112.2P67 T69 I70 V75 A76P67-A72 WeakPolarHBondContact O-CA 3.47Å; P67-A72 PolarHBondContact O-N 3.19Å; T69-A72 VanDerWaalsContact O-CB 3.25Å; T69-A72 WeakPolarHBondContact O-CB 3.31Å; T69-A72 PolarHBondContact O-N 2.99Å; I70-A72 PolarHBondContact O-N 3.41Å; A72-V75 PolarHBondContact O-N 3.07Å; A72-A76 WeakPolarHBondContact O-CB 3.2Å; A72-A76 PolarHBondContact O-N 3.16Å
73L93Very high90.5Very high58 Ų5837.7 Ų37.730%0.30425%0.245SC..Hα-helixtrans-67.5-51.9179.4179.167.6000112.2E44 L47 G71 V75 A76 V77E44-L73 HydrophobicContact CB-CD1 4.49Å; L47-L73 HydrophobicContact CD1-CD2 4.11Å; L47-L73 HydrophobicContact CD1-CG 3.92Å; G71-L73 PolarHBondContact O-N 2.76Å; L73-V75 PolarHBondContact O-N 2.93Å; L73-A76 PolarHBondContact O-N 3.27Å; L73-V77 HydrophobicContact CD1-CG2 3.83Å; L73-V77 HydrophobicContact CG-CG2 4.19Å; L73-V77 WeakPolarHBondContact O-CG2 3.34Å; L73-V77 PolarHBondContact O-N 3.34Å
74P94.3Very high90.3Very high0 Ų040 Ų400%026%0.257CS..Hα-helixtrans-51-42.4173.5-29.733.8000114V18 H23 L47 L62 V64 A78V18-P74 HydrophobicContact CG1-CG 4.4Å; H23-P74 WeakPolarHBondContact NE2-CG 3.46Å; L47-P74 HydrophobicContact CD1-CB 4.43Å; L47-P74 HydrophobicContact CD1-CG 4.09Å; L47-P74 HydrophobicContact CD2-CB 4.08Å; L47-P74 HydrophobicContact CD2-CG 4.15Å; L62-P74 HydrophobicContact CD2-CB 4.43Å; V64-P74 HydrophobicContact CG1-CB 4.33Å; P74-A78 WeakPolarHBondContact O-CB 3.47Å; P74-A78 PolarHBondContact O-N 3.23Å
75V92Very high90.2Very high10 Ų1040.7 Ų40.76%0.06126%0.262CS..Hα-helixtrans-66.7-43.1177.4171.20000111.5V64 P67 G71 A72 L73 R79 V85 L128V64-V75 HydrophobicContact CG1-CG2 4.36Å; V64-V75 HydrophobicContact CG2-CG2 3.61Å; P67-V75 HydrophobicContact CB-CG2 4.24Å; G71-V75 WeakPolarHBondContact O-CB 3.43Å; G71-V75 VanDerWaalsContact O-CG2 3.25Å; G71-V75 WeakPolarHBondContact O-CG2 3.25Å; G71-V75 PolarHBondContact O-N 3.26Å; G71-V75 VanDerWaalsContact O-N 3.15Å; A72-V75 PolarHBondContact O-N 3.07Å; L73-V75 PolarHBondContact O-N 2.93Å; V75-R79 WeakPolarHBondContact O-CB 3.48Å; V75-R79 VanDerWaalsContact O-CG 3.3Å; V75-R79 WeakPolarHBondContact O-CG 3.39Å; V75-R79 PolarHBondContact O-N 3.21Å; V75-V85 HydrophobicContact CG1-CB 4.43Å; V75-V85 HydrophobicContact CG1-CG1 4.36Å; V75-V85 HydrophobicContact CG1-CG2 4.36Å; V75-L128 HydrophobicContact CG1-CD1 4.05Å; V75-L128 HydrophobicContact CG2-CD1 3.94Å
76A90.7Very high90.2Very high55 Ų5539.7 Ų39.746%0.45526%0.257SS..Hα-helixtrans-65.1-45.3178.900000112A72 L73 R79 S80A72-A76 WeakPolarHBondContact O-CB 3.2Å; A72-A76 PolarHBondContact O-N 3.16Å; L73-A76 PolarHBondContact O-N 3.27Å; A76-R79 PolarHBondContact O-N 2.88Å; A76-S80 PolarHBondContact O-N 3.37Å
77V94.9Very high90.4Very high3 Ų338.5 Ų38.52%0.01825%0.249CC..Hα-helixtrans-62.2-49.4176.9178.20000110.3E44 L47 R48 I51 L73 R79 S80 E81E44-V77 HydrophobicContact CB-CG2 4.34Å; E44-V77 HydrophobicContact CG-CG2 3.9Å; L47-V77 HydrophobicContact CB-CB 4.2Å; L47-V77 HydrophobicContact CB-CG1 3.86Å; L47-V77 HydrophobicContact CB-CG2 4.31Å; L47-V77 HydrophobicContact CD1-CG2 4.16Å; R48-V77 HydrophobicContact CB-CG1 4.47Å; R48-V77 HydrophobicContact CG-CG1 3.53Å; I51-V77 HydrophobicContact CD1-CG1 3.94Å; L73-V77 HydrophobicContact CD1-CG2 3.83Å; L73-V77 HydrophobicContact CG-CG2 4.19Å; L73-V77 WeakPolarHBondContact O-CG2 3.34Å; L73-V77 PolarHBondContact O-N 3.34Å; V77-R79 VanDerWaalsContact C-N 3.29Å; V77-R79 PolarHBondContact O-N 3.22Å; V77-S80 PolarHBondContact O-N 3.41Å; V77-S80 VanDerWaalsContact O-N 3.1Å; V77-S80 PolarHBondContact O-OG 2.96Å; V77-E81 HydrophobicContact CG1-CG 4.4Å; V77-E81 WeakPolarHBondContact O-CG 3.39Å; V77-E81 PolarHBondContact O-N 2.87Å
78A94Very high90.7Very high0 Ų037.4 Ų37.40%024%0.242CC..Hα-helixtrans-54.4-45.2176.700000112.2I51 L62 P74 E81 G82 V83 V85I51-A78 HydrophobicContact CD1-CB 4.19Å; L62-A78 HydrophobicContact CB-CB 4.24Å; L62-A78 HydrophobicContact CD1-CB 4.18Å; L62-A78 HydrophobicContact CD2-CB 4.34Å; L62-A78 HydrophobicContact CG-CB 4.49Å; P74-A78 WeakPolarHBondContact O-CB 3.47Å; P74-A78 PolarHBondContact O-N 3.23Å; A78-E81 CarbonylContact O-C 3.56Å; A78-E81 PolarHBondContact O-N 2.76Å; A78-G82 PolarHBondContact O-N 3.43Å; A78-V83 HydrophobicContact CB-CB 4.07Å; A78-V83 HydrophobicContact CB-CG1 4.11Å; A78-V83 VanDerWaalsContact O-CB 3.31Å; A78-V83 WeakPolarHBondContact O-CB 3.41Å; A78-V83 PolarHBondContact O-N 3.12Å; A78-V85 HydrophobicContact CB-CG1 3.57Å
79R90Very high91Very high72 Ų7233.6 Ų33.627%0.27221%0.21SC..Hα-helixtrans-62.5-44.7175.9-76.6176171.2178.31112.9V75 A76 V77 E81 G82 V85 L128 K129V75-R79 WeakPolarHBondContact O-CB 3.48Å; V75-R79 VanDerWaalsContact O-CG 3.3Å; V75-R79 WeakPolarHBondContact O-CG 3.39Å; V75-R79 PolarHBondContact O-N 3.21Å; A76-R79 PolarHBondContact O-N 2.88Å; V77-R79 VanDerWaalsContact C-N 3.29Å; V77-R79 PolarHBondContact O-N 3.22Å; R79-E81 PolarHBondContact O-N 2.91Å; R79-G82 PolarHBondContact O-N 2.85Å; R79-V85 HydrophobicContact CG-CG1 4.18Å; R79-V85 HydrophobicContact CG-CG2 3.92Å; R79-L128 VanDerWaalsContact NH2-C 3.34Å; R79-L128 PolarHBondContact NH2-O 2.86Å; R79-K129 PolarHBondContact NH2-O 3.38Å
80S92.8Very high91.2Very high70 Ų7031.2 Ų31.249%0.4920%0.202SC..Hα-helixtrans-62.3-26.4177.777.10000112.4R48 A76 V77 G82R48-S80 PolarHBondContact NH1-OG 2.91Å; R48-S80 PolarHBondContact NH2-OG 3.35Å; R48-S80 VanDerWaalsContact NH2-OG 3.13Å; A76-S80 PolarHBondContact O-N 3.37Å; V77-S80 PolarHBondContact O-N 3.41Å; V77-S80 VanDerWaalsContact O-N 3.1Å; V77-S80 PolarHBondContact O-OG 2.96Å; S80-G82 VanDerWaalsContact C-N 3.35Å
81E94.5Very high90.8Very high48 Ų4834.3 Ų34.322%0.22422%0.219CC..THydrogen-bonded Turntrans-883.7175.9-69.8-64.5150.800113.4R48 I51 K55 V77 A78 R79 V83R48-E81 IonicContact CZ-OE1 3.1Å; R48-E81 IonicContact NH1-OE1 2.72Å; R48-E81 PolarHBondContact NH1-OE1 2.85Å; I51-E81 HydrophobicContact CD1-CG 4.38Å; I51-E81 HydrophobicContact CG2-CB 3.71Å; I51-E81 HydrophobicContact CG2-CG 3.93Å; K55-E81 WeakPolarHBondContact CE-O 3.44Å; K55-E81 PolarHBondContact NZ-O 2.77Å; K55-E81 IonicContact NZ-OE2 3.74Å; K55-E81 PolarHBondContact NZ-OE2 2.82Å; V77-E81 HydrophobicContact CG1-CG 4.4Å; V77-E81 WeakPolarHBondContact O-CG 3.39Å; V77-E81 PolarHBondContact O-N 2.87Å; A78-E81 CarbonylContact O-C 3.56Å; A78-E81 PolarHBondContact O-N 2.76Å; R79-E81 PolarHBondContact O-N 2.91Å; E81-V83 VanDerWaalsContact C-N 3.28Å; E81-V83 HydrophobicContact CB-CG2 4.24Å; E81-V83 PolarHBondContact O-N 2.79Å
82G91.6Very high90.7Very high66 Ų6635.7 Ų35.768%0.6823%0.23SC*.THydrogen-bonded Turntrans70.120.8-178.500000114.4A78 R79 S80A78-G82 PolarHBondContact O-N 3.43Å; R79-G82 PolarHBondContact O-N 2.85Å; S80-G82 VanDerWaalsContact C-N 3.35Å
83V92.9Very high90.6Very high12 Ų1234 Ų347%0.07321%0.214CC..  trans-86141.4178.5169.10000110.5I51 I60 L62 A78 E81I51-V83 HydrophobicContact CG2-CG2 3.59Å; I60-V83 HydrophobicContact CB-CB 4.48Å; I60-V83 HydrophobicContact CB-CG1 3.71Å; I60-V83 HydrophobicContact CB-CG2 4.09Å; I60-V83 HydrophobicContact CD1-CG2 4.23Å; I60-V83 HydrophobicContact CG2-CG1 3.55Å; I60-V83 HydrophobicContact CG2-CG2 4.48Å; L62-V83 HydrophobicContact CB-CG1 4.06Å; A78-V83 HydrophobicContact CB-CB 4.07Å; A78-V83 HydrophobicContact CB-CG1 4.11Å; A78-V83 VanDerWaalsContact O-CB 3.31Å; A78-V83 WeakPolarHBondContact O-CB 3.41Å; A78-V83 PolarHBondContact O-N 3.12Å; E81-V83 VanDerWaalsContact C-N 3.28Å; E81-V83 HydrophobicContact CB-CG2 4.24Å; E81-V83 PolarHBondContact O-N 2.79Å
84L92.4Very high90.3Very high47 Ų4739.6 Ų39.625%0.24623%0.231CC..EExtended strand (participates in β ladder)trans-67.4139.5173.4-62.6177.8000109.7D6 V10 Q59 I60 L61 L62D6-L84 HydrophobicContact CB-CD1 4.09Å; V10-L84 HydrophobicContact CG2-CD1 3.74Å; Q59-L84 HydrophobicContact CG-CD1 4.47Å; I60-L84 WeakPolarHBondContact O-CB 3.44Å; I60-L84 PolarHBondContact O-N 3Å; I60-L84 VanDerWaalsContact O-N 3.12Å; L61-L84 CarbonylContact C-O 3.59Å; L61-L84 WeakPolarHBondContact CA-O 3.31Å; L61-L84 HydrophobicContact CD1-CB 3.85Å; L62-L84 PolarHBondContact N-O 3.39Å
85V92.3Very high90Very high16 Ų1645.8 Ų45.810%0.09725%0.254CS..EExtended strand (participates in β ladder)trans-122.2132.7-179.6-69.20000112L62 V75 A78 R79 L128L62-V85 CarbonylContact O-C 3.56Å; L62-V85 VanDerWaalsContact O-CA 3.32Å; L62-V85 WeakPolarHBondContact O-CA 3.38Å; V75-V85 HydrophobicContact CG1-CB 4.43Å; V75-V85 HydrophobicContact CG1-CG1 4.36Å; V75-V85 HydrophobicContact CG1-CG2 4.36Å; A78-V85 HydrophobicContact CB-CG1 3.57Å; R79-V85 HydrophobicContact CG-CG1 4.18Å; R79-V85 HydrophobicContact CG-CG2 3.92Å; V85-L128 HydrophobicContact CG2-CB 4.08Å
86G91.1Very high89.8Confident3 Ų346.1 Ų46.13%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-123.2163.517600000112.2L62 V63 V64L62-G86 PolarHBondContact O-N 2.94Å; V63-G86 WeakPolarHBondContact CA-O 3.39Å; V64-G86 PolarHBondContact N-O 3.34Å
87Y90.2Very high89.6Confident54 Ų5444.4 Ų44.421%0.21224%0.241CC..EExtended strand (participates in β ladder)trans-127.8126.4174.7164.4-137000109.7V64 D65 P67 P89 R126 L128V64-Y87 WeakPolarHBondContact O-CA 3.38Å; V64-Y87 WeakPolarHBondContact O-CD2 3.33Å; D65-Y87 WeakPolarHBondContact O-CE2 3.41Å; P67-Y87 HydrophobicContact CG-CD1 4.2Å; P67-Y87 HydrophobicContact CG-CD2 3.64Å; P67-Y87 HydrophobicContact CG-CE2 4.11Å; P67-Y87 HydrophobicContact CG-CG 3.71Å; Y87-P89 HydrophobicContact CD1-CG 4.42Å; Y87-P89 HydrophobicContact CE1-CB 4.36Å; Y87-P89 HydrophobicContact CE1-CG 4.03Å; Y87-P89 WeakPolarHBondContact O-CD 3.37Å; Y87-R126 HydrophobicContact CD1-CB 4Å; Y87-R126 HydrophobicContact CD1-CG 4.42Å; Y87-R126 PolarHBondContact N-O 2.69Å; Y87-R126 PolarHBondContact O-N 2.71Å; Y87-L128 HydrophobicContact CG-CD2 4.46Å
88L91.1Very high89.2Confident0 Ų050 Ų500%027%0.271CS..  trans-99.4109.7170.5-176.962.1000110.1V63 V64 D65 G90 A92 M93 I96 I114 A117 A124 L125V63-L88 HydrophobicContact CG1-CB 3.91Å; V64-L88 PolarHBondContact O-N 2.95Å; D65-L88 WeakPolarHBondContact CA-O 3.49Å; L88-G90 PolarHBondContact O-N 2.78Å; L88-A92 HydrophobicContact CD1-CB 4.05Å; L88-M93 HydrophobicContact CD2-CB 3.88Å; L88-M93 HydrophobicContact CD2-CG 4.29Å; L88-M93 HydrophobicContact CD2-SD 3.59Å; L88-M93 VanDerWaalsContact CD2-SD 3.59Å; L88-M93 HydrophobicContact CG-CB 4.01Å; L88-I96 HydrophobicContact CD1-CD1 4.09Å; L88-I96 HydrophobicContact CD2-CD1 4.44Å; L88-I114 HydrophobicContact CD2-CG1 4.23Å; L88-A117 HydrophobicContact CD1-CB 4.5Å; L88-A117 HydrophobicContact CD2-CB 3.8Å; L88-A124 HydrophobicContact CD1-CB 4.33Å; L88-L125 HydrophobicContact CB-CD2 4.25Å; L88-L125 HydrophobicContact CD1-CD2 4.24Å
89P85.1Confident88.7Confident15 Ų1556.8 Ų56.810%0.09731%0.307CS..  trans-59135-179.1-24.534.5000112.9Y87 L91 A92 M93 R126Y87-P89 HydrophobicContact CD1-CG 4.42Å; Y87-P89 HydrophobicContact CE1-CB 4.36Å; Y87-P89 HydrophobicContact CE1-CG 4.03Å; Y87-P89 WeakPolarHBondContact O-CD 3.37Å; P89-L91 PolarHBondContact O-N 3.21Å; P89-A92 HydrophobicContact CB-CB 4.43Å; P89-A92 WeakPolarHBondContact O-CA 3.34Å; P89-A92 WeakPolarHBondContact O-CB 3.5Å; P89-A92 PolarHBondContact O-N 3.39Å; P89-M93 PolarHBondContact O-N 3.4Å; P89-R126 HydrophobicContact CG-CG 3.91Å; P89-R126 VanDerWaalsContact CG-NE 3.32Å
90G85.3Confident88.3Confident36 Ų3657 Ų5737%0.37131%0.311SS..Hα-helixtrans-53.1-31.6-175.200000115.5L88 R94L88-G90 PolarHBondContact O-N 2.78Å; G90-R94 WeakPolarHBondContact O-CB 3.4Å; G90-R94 PolarHBondContact O-N 3.28Å
91L81Confident87.6Confident109 Ų10958.5 Ų58.557%0.57133%0.327SS*.Hα-helixtrans-71.7-37.3173.6-176.663.9000112.9P89 R95P89-L91 PolarHBondContact O-N 3.21Å; L91-R95 WeakPolarHBondContact O-CG 3.49Å; L91-R95 PolarHBondContact O-N 3.46Å
92A86.4Confident86.6Confident28 Ų2858.9 Ų58.923%0.23134%0.344CS..Hα-helixtrans-68.3-47.3174.300000109.7L88 P89 R94 R95 I96L88-A92 HydrophobicContact CD1-CB 4.05Å; P89-A92 HydrophobicContact CB-CB 4.43Å; P89-A92 WeakPolarHBondContact O-CA 3.34Å; P89-A92 WeakPolarHBondContact O-CB 3.5Å; P89-A92 PolarHBondContact O-N 3.39Å; A92-R94 VanDerWaalsContact C-N 3.35Å; A92-R94 PolarHBondContact O-N 2.88Å; A92-R95 PolarHBondContact O-N 3.32Å; A92-R95 VanDerWaalsContact O-N 3.14Å; A92-I96 VanDerWaalsContact O-CG1 3.28Å; A92-I96 WeakPolarHBondContact O-CG1 3.43Å; A92-I96 PolarHBondContact O-N 2.84Å
93M88.3Confident85.6Confident13 Ų1365.1 Ų65.16%0.06436%0.356CS..Hα-helixtrans-49.8-53172.517756.4-174.100111.7L88 P89 R95 I96 A97 D110 I113 I114L88-M93 HydrophobicContact CD2-CB 3.88Å; L88-M93 HydrophobicContact CD2-CG 4.29Å; L88-M93 HydrophobicContact CD2-SD 3.59Å; L88-M93 VanDerWaalsContact CD2-SD 3.59Å; L88-M93 HydrophobicContact CG-CB 4.01Å; P89-M93 PolarHBondContact O-N 3.4Å; M93-R95 VanDerWaalsContact C-N 3.35Å; M93-R95 PolarHBondContact O-N 2.99Å; M93-I96 PolarHBondContact O-N 3.48Å; M93-I96 VanDerWaalsContact O-N 3.15Å; M93-A97 WeakPolarHBondContact O-CB 3.32Å; M93-A97 PolarHBondContact O-N 2.92Å; M93-D110 HydrophobicContact CE-CB 3.87Å; M93-D110 WeakPolarHBondContact CE-O 3.44Å; M93-I113 HydrophobicContact CE-CB 3.64Å; M93-I113 HydrophobicContact CE-CD1 4.25Å; M93-I113 HydrophobicContact CE-CG2 3.6Å; M93-I113 HydrophobicContact SD-CB 4.13Å; M93-I113 HydrophobicContact SD-CG2 3.47Å; M93-I113 WeakPolarHBondContact SD-CG2 3.4Å; M93-I114 HydrophobicContact CE-CD1 4.47Å; M93-I114 HydrophobicContact CE-CG1 3.87Å; M93-I114 HydrophobicContact SD-CG1 3.7Å
94R85.7Confident84.7Confident175 Ų17567.9 Ų67.966%0.6638%0.38SS*.Hα-helixtrans-58.8-42.8178.9-174.2174.2179.7163.13.2113G90 A92 I96 A97 D98G90-R94 WeakPolarHBondContact O-CB 3.4Å; G90-R94 PolarHBondContact O-N 3.28Å; A92-R94 VanDerWaalsContact C-N 3.35Å; A92-R94 PolarHBondContact O-N 2.88Å; R94-I96 VanDerWaalsContact C-N 3.33Å; R94-I96 PolarHBondContact O-N 3.38Å; R94-A97 WeakPolarHBondContact O-CB 2.75Å; R94-A97 PolarHBondContact O-N 3.48Å; R94-D98 PolarHBondContact O-N 2.89Å
95R87.4Confident84Confident129 Ų12973.6 Ų73.649%0.48740%0.403SS..Hα-helixtrans-66.5-35.2177.9-73175.2-179.3-1791.8112.9L91 A92 M93L91-R95 WeakPolarHBondContact O-CG 3.49Å; L91-R95 PolarHBondContact O-N 3.46Å; A92-R95 PolarHBondContact O-N 3.32Å; A92-R95 VanDerWaalsContact O-N 3.14Å; M93-R95 VanDerWaalsContact C-N 3.35Å; M93-R95 PolarHBondContact O-N 2.99Å
96I88.3Confident83.8Confident18 Ų1876.2 Ų76.29%0.09242%0.418CS..Hα-helixtrans-71.1-39175.2-63.6163.1000109.4L88 A92 M93 R94 D98 L99 H100 I113 A117 L121L88-I96 HydrophobicContact CD1-CD1 4.09Å; L88-I96 HydrophobicContact CD2-CD1 4.44Å; A92-I96 VanDerWaalsContact O-CG1 3.28Å; A92-I96 WeakPolarHBondContact O-CG1 3.43Å; A92-I96 PolarHBondContact O-N 2.84Å; M93-I96 PolarHBondContact O-N 3.48Å; M93-I96 VanDerWaalsContact O-N 3.15Å; R94-I96 VanDerWaalsContact C-N 3.33Å; R94-I96 PolarHBondContact O-N 3.38Å; I96-D98 VanDerWaalsContact C-N 3.29Å; I96-D98 PolarHBondContact O-N 3.02Å; I96-L99 WeakPolarHBondContact O-CB 3.45Å; I96-L99 PolarHBondContact O-N 2.93Å; I96-H100 PolarHBondContact O-ND1 3.06Å; I96-I113 HydrophobicContact CB-CG2 4.3Å; I96-I113 HydrophobicContact CG2-CG2 3.74Å; I96-A117 HydrophobicContact CD1-CB 3.83Å; I96-A117 HydrophobicContact CG2-CB 4.48Å; I96-L121 HydrophobicContact CD1-CD1 3.72Å; I96-L121 HydrophobicContact CG1-CD1 3.92Å
97A86.4Confident83.7Confident18 Ų1880.2 Ų80.215%0.14944%0.439CS..Hα-helixtrans-60.3-38.5174.800000112.2M93 R94 L99 H100 I113M93-A97 WeakPolarHBondContact O-CB 3.32Å; M93-A97 PolarHBondContact O-N 2.92Å; R94-A97 WeakPolarHBondContact O-CB 2.75Å; R94-A97 PolarHBondContact O-N 3.48Å; A97-L99 PolarHBondContact O-N 2.79Å; A97-H100 PolarHBondContact O-N 3.46Å; A97-I113 HydrophobicContact CB-CD1 3.8Å
98D85.6Confident83.7Confident120 Ų12079.2 Ų79.264%0.64244%0.442SS*.THydrogen-bonded Turntrans-62.2-19.4175-62.7-25.8000113.1R94 I96R94-D98 PolarHBondContact O-N 2.89Å; I96-D98 VanDerWaalsContact C-N 3.29Å; I96-D98 PolarHBondContact O-N 3.02Å
99L85.3Confident83.7Confident144 Ų14481.7 Ų81.775%0.75445%0.451SS*.THydrogen-bonded Turntrans-82.7-12.2174.7-58.8175.6000113.1I96 A97I96-L99 WeakPolarHBondContact O-CB 3.45Å; I96-L99 PolarHBondContact O-N 2.93Å; A97-L99 PolarHBondContact O-N 2.79Å
100H80.4Confident84.1Confident77 Ų7781.7 Ų81.736%0.35645%0.451SS..SBendtrans-97.4143.4-179.7-66.975.4000110.8I96 A97 R109I96-H100 PolarHBondContact O-ND1 3.06Å; A97-H100 PolarHBondContact O-N 3.46Å; H100-R109 PolarHBondContact O-NH2 3Å; H100-R109 VanDerWaalsContact O-NH2 3.12Å
101A78.1Confident84.5Confident100 Ų10080 Ų8083%0.82643%0.433SS*.SBendtrans-63.3143.3-179.600000113R109A101-R109 PolarHBondContact O-NH2 3.13Å
102G73.1Confident85.2Confident57 Ų5775.5 Ų75.559%0.58841%0.412SS*.  trans92.9153.4175.500000114.4R109G102-R109 VanDerWaalsContact C-NH1 3.33Å; G102-R109 VanDerWaalsContact O-CZ 3.25Å; G102-R109 PolarHBondContact O-NH1 3.47Å; G102-R109 PolarHBondContact O-NH2 2.83Å
103E71Confident85.6Confident197 Ų19774.3 Ų74.392%0.92140%0.402SS*.SBendtrans-101.4-14.4-179.4-62.1-171.4157.500113.2K105E103-K105 PolarHBondContact O-N 2.99Å
104A74.5Confident85.9Confident70 Ų7073.8 Ų73.858%0.57940%0.399SS*.  trans-68.1120.3-177.800000111.1R109A104-R109 WeakPolarHBondContact O-CD 3.42Å; A104-R109 PolarHBondContact O-NH1 3.21Å
105K77.5Confident86.4Confident167 Ų16765.4 Ų65.473%0.72637%0.367SS*.  trans-88.8114.1172.6-171-173.6179.7-165.50108.7E103 D110E103-K105 PolarHBondContact O-N 2.99Å; K105-D110 WeakPolarHBondContact CE-OD2 3.46Å; K105-D110 WeakPolarHBondContact CG-OD2 3.45Å; K105-D110 IonicContact NZ-OD2 3.32Å
106T88.6Confident86.8Confident70 Ų7062 Ų6243%0.42936%0.357SS..  trans-128.7148.217463.90000109.4A108 R109 D110T106-A108 PolarHBondContact O-N 3.44Å; T106-R109 WeakPolarHBondContact O-CB 3.3Å; T106-R109 PolarHBondContact O-N 3.15Å; T106-R109 VanDerWaalsContact OG1-CB 3.29Å; T106-R109 WeakPolarHBondContact OG1-CB 3.26Å; T106-R109 PolarHBondContact OG1-N 2.66Å; T106-D110 PolarHBondContact O-N 3.44Å
107D87.6Confident87.1Confident88 Ų8861.1 Ų61.147%0.47135%0.353SS..Hα-helixtrans-59.4-36.4-176.6-53.2-10.5000111.8D17 H24 R109 D110 A111D17-D107 VanDerWaalsContact OD2-CA 3.23Å; D17-D107 WeakPolarHBondContact OD2-CA 3.28Å; D17-D107 WeakPolarHBondContact OD2-CB 3.28Å; H24-D107 HydrophobicContact CB-CB 3.83Å; D107-R109 PolarHBondContact O-N 2.9Å; D107-D110 PolarHBondContact O-N 3.42Å; D107-A111 VanDerWaalsContact O-CB 3.31Å; D107-A111 WeakPolarHBondContact O-CB 3.36Å; D107-A111 PolarHBondContact O-N 3.15Å
108A91.8Very high87.5Confident33 Ų3360.3 Ų60.327%0.27335%0.346SS..Hα-helixtrans-63-39.417400000113.4H24 T106 A112H24-A108 VanDerWaalsContact CD2-CA 3.47Å; H24-A108 WeakPolarHBondContact CD2-CA 3.43Å; H24-A108 WeakPolarHBondContact NE2-CB 3.23Å; T106-A108 PolarHBondContact O-N 3.44Å; A108-A112 VanDerWaalsContact O-CB 3.32Å; A108-A112 WeakPolarHBondContact O-CB 3.46Å; A108-A112 PolarHBondContact O-N 2.86Å
109R90.2Very high88Confident51 Ų5157.5 Ų57.519%0.19233%0.326CS..Hα-helixtrans-68.6-45.2177.4179.5-176.6177.6-175.81.7110.4H100 A101 G102 A104 T106 D107 A112 I113H100-R109 PolarHBondContact O-NH2 3Å; H100-R109 VanDerWaalsContact O-NH2 3.12Å; A101-R109 PolarHBondContact O-NH2 3.13Å; G102-R109 VanDerWaalsContact C-NH1 3.33Å; G102-R109 VanDerWaalsContact O-CZ 3.25Å; G102-R109 PolarHBondContact O-NH1 3.47Å; G102-R109 PolarHBondContact O-NH2 2.83Å; A104-R109 WeakPolarHBondContact O-CD 3.42Å; A104-R109 PolarHBondContact O-NH1 3.21Å; T106-R109 WeakPolarHBondContact O-CB 3.3Å; T106-R109 PolarHBondContact O-N 3.15Å; T106-R109 VanDerWaalsContact OG1-CB 3.29Å; T106-R109 WeakPolarHBondContact OG1-CB 3.26Å; T106-R109 PolarHBondContact OG1-N 2.66Å; D107-R109 PolarHBondContact O-N 2.9Å; R109-A112 PolarHBondContact O-N 3.3Å; R109-I113 HydrophobicContact CG-CD1 3.77Å; R109-I113 HydrophobicContact CG-CG1 4.41Å; R109-I113 VanDerWaalsContact O-CG1 3.28Å; R109-I113 WeakPolarHBondContact O-CG1 3.45Å; R109-I113 PolarHBondContact O-N 2.9Å
110D92.7Very high88.4Confident16 Ų1653.7 Ų53.79%0.08631%0.309CS..Hα-helixtrans-64.6-45.4-179.5-75.9-10.4000110.8D17 M93 K105 T106 D107 A112 I113 I114D17-D110 HydrophobicContact CB-CB 4.12Å; M93-D110 HydrophobicContact CE-CB 3.87Å; M93-D110 WeakPolarHBondContact CE-O 3.44Å; K105-D110 WeakPolarHBondContact CE-OD2 3.46Å; K105-D110 WeakPolarHBondContact CG-OD2 3.45Å; K105-D110 IonicContact NZ-OD2 3.32Å; T106-D110 PolarHBondContact O-N 3.44Å; D107-D110 PolarHBondContact O-N 3.42Å; D110-A112 VanDerWaalsContact C-N 3.3Å; D110-A112 PolarHBondContact O-N 3.34Å; D110-I113 PolarHBondContact O-N 3.11Å; D110-I114 VanDerWaalsContact O-CG1 3.26Å; D110-I114 WeakPolarHBondContact O-CG1 3.09Å; D110-I114 PolarHBondContact O-N 3.23Å
111A95.5Very high89Confident0 Ų052.3 Ų52.30%030%0.304CS..Hα-helixtrans-57.6-42.2173.700000112.4D17 H24 V26 D107 I114 A115D17-A111 HydrophobicContact CB-CB 4.01Å; H24-A111 HydrophobicContact CB-CB 4.24Å; H24-A111 WeakPolarHBondContact O-CB 3.48Å; V26-A111 HydrophobicContact CB-CB 4.29Å; V26-A111 HydrophobicContact CG2-CB 3.77Å; D107-A111 VanDerWaalsContact O-CB 3.31Å; D107-A111 WeakPolarHBondContact O-CB 3.36Å; D107-A111 PolarHBondContact O-N 3.15Å; A111-I114 PolarHBondContact O-N 2.85Å; A111-A115 WeakPolarHBondContact O-CB 3.4Å; A111-A115 PolarHBondContact O-N 3.13Å
112A94.8Very high89.5Confident15 Ų1549.9 Ų49.912%0.12428%0.279CS..Hα-helixtrans-65.3-42176.700000112.9V26 A108 R109 D110 I114 A115 E116V26-A112 HydrophobicContact CG1-CB 4.33Å; V26-A112 HydrophobicContact CG2-CB 4.16Å; A108-A112 VanDerWaalsContact O-CB 3.32Å; A108-A112 WeakPolarHBondContact O-CB 3.46Å; A108-A112 PolarHBondContact O-N 2.86Å; R109-A112 PolarHBondContact O-N 3.3Å; D110-A112 VanDerWaalsContact C-N 3.3Å; D110-A112 PolarHBondContact O-N 3.34Å; A112-I114 VanDerWaalsContact C-N 3.32Å; A112-A115 PolarHBondContact O-N 3.22Å; A112-E116 VanDerWaalsContact O-CB 3.29Å; A112-E116 WeakPolarHBondContact O-CB 3.32Å; A112-E116 PolarHBondContact O-N 3.22Å
113I93.9Very high90Very high3 Ų354.5 Ų54.52%0.01529%0.285CS..Hα-helixtrans-64.4-40176.5-68.2161.7000110.2M93 I96 A97 R109 D110 E116 A117M93-I113 HydrophobicContact CE-CB 3.64Å; M93-I113 HydrophobicContact CE-CD1 4.25Å; M93-I113 HydrophobicContact CE-CG2 3.6Å; M93-I113 HydrophobicContact SD-CB 4.13Å; M93-I113 HydrophobicContact SD-CG2 3.47Å; M93-I113 WeakPolarHBondContact SD-CG2 3.4Å; I96-I113 HydrophobicContact CB-CG2 4.3Å; I96-I113 HydrophobicContact CG2-CG2 3.74Å; A97-I113 HydrophobicContact CB-CD1 3.8Å; R109-I113 HydrophobicContact CG-CD1 3.77Å; R109-I113 HydrophobicContact CG-CG1 4.41Å; R109-I113 VanDerWaalsContact O-CG1 3.28Å; R109-I113 WeakPolarHBondContact O-CG1 3.45Å; R109-I113 PolarHBondContact O-N 2.9Å; D110-I113 PolarHBondContact O-N 3.11Å; I113-E116 PolarHBondContact O-N 3.49Å; I113-A117 WeakPolarHBondContact O-CB 3.1Å; I113-A117 PolarHBondContact O-N 3.38Å
114I95.6Very high90.7Very high1 Ų146.2 Ų46.21%0.00525%0.251CS..Hα-helixtrans-62.1-47.2176-64.7165.2000110.3V16 V63 D65 L88 M93 D110 A111 A112 E116 A117 A118V16-I114 WeakPolarHBondContact O-CD1 3.37Å; V63-I114 HydrophobicContact CB-CG2 3.75Å; V63-I114 HydrophobicContact CG1-CG2 3.57Å; V63-I114 WeakPolarHBondContact O-CG2 3.35Å; D65-I114 HydrophobicContact CB-CD1 4.18Å; L88-I114 HydrophobicContact CD2-CG1 4.23Å; M93-I114 HydrophobicContact CE-CD1 4.47Å; M93-I114 HydrophobicContact CE-CG1 3.87Å; M93-I114 HydrophobicContact SD-CG1 3.7Å; D110-I114 VanDerWaalsContact O-CG1 3.26Å; D110-I114 WeakPolarHBondContact O-CG1 3.09Å; D110-I114 PolarHBondContact O-N 3.23Å; A111-I114 PolarHBondContact O-N 2.85Å; A112-I114 VanDerWaalsContact C-N 3.32Å; I114-E116 VanDerWaalsContact C-N 3.34Å; I114-E116 PolarHBondContact O-N 3.09Å; I114-A117 PolarHBondContact O-N 3.37Å; I114-A118 WeakPolarHBondContact O-CB 3.25Å; I114-A118 PolarHBondContact O-N 2.77Å
115A96.7Very high91.4Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-61.2-44.6179.100000111.3V26 I28 A111 A112 A118 R119V26-A115 HydrophobicContact CB-CB 4.3Å; V26-A115 HydrophobicContact CG1-CB 4.15Å; V26-A115 WeakPolarHBondContact O-CB 3.41Å; I28-A115 HydrophobicContact CD1-CB 4.02Å; I28-A115 WeakPolarHBondContact CD1-O 3.39Å; I28-A115 HydrophobicContact CG1-CB 4.12Å; A111-A115 WeakPolarHBondContact O-CB 3.4Å; A111-A115 PolarHBondContact O-N 3.13Å; A112-A115 PolarHBondContact O-N 3.22Å; A115-A118 WeakPolarHBondContact O-CB 3.14Å; A115-A118 PolarHBondContact O-N 3.01Å; A115-R119 PolarHBondContact O-N 2.9Å
116E95.4Very high91.6Very high56 Ų5641.3 Ų41.326%0.26222%0.215SC..Hα-helixtrans-68.9-41.3-179.6-175.362.7-174.700112.4I28 A112 I113 I114 A118 R119 T120I28-E116 HydrophobicContact CD1-CB 4.41Å; I28-E116 VanDerWaalsContact CD1-OE2 3.31Å; I28-E116 WeakPolarHBondContact CD1-OE2 3.16Å; A112-E116 VanDerWaalsContact O-CB 3.29Å; A112-E116 WeakPolarHBondContact O-CB 3.32Å; A112-E116 PolarHBondContact O-N 3.22Å; I113-E116 PolarHBondContact O-N 3.49Å; I114-E116 VanDerWaalsContact C-N 3.34Å; I114-E116 PolarHBondContact O-N 3.09Å; E116-A118 VanDerWaalsContact C-N 3.27Å; E116-A118 PolarHBondContact O-N 2.8Å; E116-R119 VanDerWaalsContact CD-NH2 3.25Å; E116-R119 PolarHBondContact O-N 3.41Å; E116-R119 IonicContact OE1-CZ 2.72Å; E116-R119 IonicContact OE1-NE 3.83Å; E116-R119 IonicContact OE1-NH2 2.63Å; E116-R119 PolarHBondContact OE1-NH2 3.19Å; E116-R119 IonicContact OE2-CZ 3.6Å; E116-R119 IonicContact OE2-NE 3.84Å; E116-R119 PolarHBondContact OE2-NE 3.01Å; E116-R119 IonicContact OE2-NH2 3.11Å; E116-R119 PolarHBondContact OE2-NH2 2.98Å; E116-R119 VanDerWaalsContact OE2-NH2 3.11Å; E116-T120 WeakPolarHBondContact O-CB 3.22Å; E116-T120 PolarHBondContact O-N 2.75Å; E116-T120 PolarHBondContact O-OG1 3.24Å; E116-T120 WeakPolarHBondContact OE1-CG2 3.38Å
117A94.6Very high90.9Very high1 Ų141.9 Ų41.91%0.00822%0.218CC..Hα-helixtrans-61.1-39171.700000111.2L88 I96 I113 I114 R119 L121L88-A117 HydrophobicContact CD1-CB 4.5Å; L88-A117 HydrophobicContact CD2-CB 3.8Å; I96-A117 HydrophobicContact CD1-CB 3.83Å; I96-A117 HydrophobicContact CG2-CB 4.48Å; I113-A117 WeakPolarHBondContact O-CB 3.1Å; I113-A117 PolarHBondContact O-N 3.38Å; I114-A117 PolarHBondContact O-N 3.37Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 3.3Å; A117-L121 CarbonylContact O-C 3.59Å; A117-L121 VanDerWaalsContact O-CA 3.32Å; A117-L121 WeakPolarHBondContact O-CA 3.43Å; A117-L121 WeakPolarHBondContact O-CB 3.41Å; A117-L121 PolarHBondContact O-N 2.99Å
118A95.4Very high90.2Very high0 Ų039.5 Ų39.50%021%0.206CC..Hα-helixtrans-63.8-37.1176.800000112.4Y7 F13 L61 V63 I114 A115 E116 L125Y7-A118 WeakPolarHBondContact CE2-O 3.17Å; Y7-A118 PolarHBondContact OH-O 3.18Å; F13-A118 HydrophobicContact CB-CB 4.29Å; F13-A118 HydrophobicContact CD1-CB 4.16Å; L61-A118 HydrophobicContact CD2-CB 4.5Å; V63-A118 HydrophobicContact CB-CB 4.24Å; V63-A118 HydrophobicContact CG2-CB 3.56Å; I114-A118 WeakPolarHBondContact O-CB 3.25Å; I114-A118 PolarHBondContact O-N 2.77Å; A115-A118 WeakPolarHBondContact O-CB 3.14Å; A115-A118 PolarHBondContact O-N 3.01Å; E116-A118 VanDerWaalsContact C-N 3.27Å; E116-A118 PolarHBondContact O-N 2.8Å; A118-L125 HydrophobicContact CB-CD1 4.15Å; A118-L125 HydrophobicContact CB-CD2 4.38Å
119R95.7Very high88.9Confident62 Ų6242.9 Ų42.923%0.23421%0.214CC..Hα-helixtrans-78.3-31.2179.6-173.9-176.473.780.51.4114.4Y7 F13 I28 N29 R30 A115 E116 A117Y7-R119 PolarHBondContact OH-O 3.33Å; F13-R119 HydrophobicContact CB-CB 4.31Å; F13-R119 HydrophobicContact CD1-CB 4.14Å; F13-R119 HydrophobicContact CD2-CB 3.74Å; F13-R119 HydrophobicContact CD2-CG 3.69Å; F13-R119 HydrophobicContact CE1-CB 4.44Å; F13-R119 HydrophobicContact CE2-CB 4.08Å; F13-R119 HydrophobicContact CE2-CG 3.68Å; F13-R119 HydrophobicContact CG-CB 3.78Å; F13-R119 HydrophobicContact CG-CG 4.27Å; F13-R119 HydrophobicContact CZ-CB 4.41Å; F13-R119 HydrophobicContact CZ-CG 4.23Å; I28-R119 HydrophobicContact CD1-CB 3.89Å; I28-R119 HydrophobicContact CD1-CG 4.37Å; I28-R119 HydrophobicContact CG1-CB 4.48Å; N29-R119 WeakPolarHBondContact O-CD 3.35Å; R30-R119 PolarHBondContact O-NH1 3.25Å; R30-R119 VanDerWaalsContact O-NH1 3.17Å; A115-R119 PolarHBondContact O-N 2.9Å; E116-R119 VanDerWaalsContact CD-NH2 3.25Å; E116-R119 PolarHBondContact O-N 3.41Å; E116-R119 IonicContact OE1-CZ 2.72Å; E116-R119 IonicContact OE1-NE 3.83Å; E116-R119 IonicContact OE1-NH2 2.63Å; E116-R119 PolarHBondContact OE1-NH2 3.19Å; E116-R119 IonicContact OE2-CZ 3.6Å; E116-R119 IonicContact OE2-NE 3.84Å; E116-R119 PolarHBondContact OE2-NE 3.01Å; E116-R119 IonicContact OE2-NH2 3.11Å; E116-R119 PolarHBondContact OE2-NH2 2.98Å; E116-R119 VanDerWaalsContact OE2-NH2 3.11Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 3.3Å
120T94.2Very high87.3Confident64 Ų6447.2 Ų47.239%0.39324%0.24SC..Hα-helixtrans-113.2-23-169.659.50000113.9E116 P122E116-T120 WeakPolarHBondContact O-CB 3.22Å; E116-T120 PolarHBondContact O-N 2.75Å; E116-T120 PolarHBondContact O-OG1 3.24Å; E116-T120 WeakPolarHBondContact OE1-CG2 3.38Å; T120-P122 VanDerWaalsContact C-CD 3.42Å; T120-P122 WeakPolarHBondContact O-CD 3.48Å
121L91.7Very high85.7Confident47 Ų4748.2 Ų48.225%0.24625%0.251CS..  trans-128.959.5-174.1-57.1173.4000111.3I96 A117 H123 A124I96-L121 HydrophobicContact CD1-CD1 3.72Å; I96-L121 HydrophobicContact CG1-CD1 3.92Å; A117-L121 CarbonylContact O-C 3.59Å; A117-L121 VanDerWaalsContact O-CA 3.32Å; A117-L121 WeakPolarHBondContact O-CA 3.43Å; A117-L121 WeakPolarHBondContact O-CB 3.41Å; A117-L121 PolarHBondContact O-N 2.99Å; L121-H123 PolarHBondContact O-N 3.22Å; L121-H123 VanDerWaalsContact O-N 3.08Å; L121-A124 HydrophobicContact CB-CB 3.93Å; L121-A124 WeakPolarHBondContact O-CB 3.42Å; L121-A124 PolarHBondContact O-N 2.99Å
122P88.5Confident84.4Confident49 Ų4951.9 Ų51.932%0.31827%0.27SS..G310 helixtrans-55.2-32.6179.120-31.7000113Y7 T120 A124 L125Y7-P122 HydrophobicContact CD1-CB 4.27Å; Y7-P122 HydrophobicContact CD1-CG 4.34Å; Y7-P122 HydrophobicContact CD2-CB 3.83Å; Y7-P122 HydrophobicContact CE1-CB 4.08Å; Y7-P122 HydrophobicContact CE1-CG 3.88Å; Y7-P122 HydrophobicContact CE2-CB 3.61Å; Y7-P122 HydrophobicContact CE2-CG 4.2Å; Y7-P122 HydrophobicContact CG-CB 4.15Å; T120-P122 VanDerWaalsContact C-CD 3.42Å; T120-P122 WeakPolarHBondContact O-CD 3.48Å; P122-A124 PolarHBondContact O-N 3.5Å; P122-L125 WeakPolarHBondContact O-CB 3.14Å; P122-L125 PolarHBondContact O-N 3.15Å; P122-L125 VanDerWaalsContact O-N 3.17Å
123H84.6Confident83.7Confident154 Ų15458.3 Ų58.371%0.71330%0.298SS*.G310 helixtrans-68.9-16.2177.162.7-89.7000114.2L121L121-H123 PolarHBondContact O-N 3.22Å; L121-H123 VanDerWaalsContact O-N 3.08Å
124A86.2Confident83.3Confident24 Ų2459.9 Ų59.920%0.19831%0.305CS..G310 helixtrans-86.8-19.217400000112.5L88 L121 P122L88-A124 HydrophobicContact CD1-CB 4.33Å; L121-A124 HydrophobicContact CB-CB 3.93Å; L121-A124 WeakPolarHBondContact O-CB 3.42Å; L121-A124 PolarHBondContact O-N 2.99Å; P122-A124 PolarHBondContact O-N 3.5Å
125L88Confident83Confident28 Ų2860.3 Ų60.315%0.14731%0.307CS..  trans-74.4152.3175.7-54.9-177.5000110.8L61 V63 L88 A118 P122L61-L125 HydrophobicContact CD2-CD1 3.81Å; V63-L125 HydrophobicContact CG1-CD2 3.85Å; V63-L125 HydrophobicContact CG2-CD1 4.14Å; V63-L125 HydrophobicContact CG2-CD2 4.25Å; L88-L125 HydrophobicContact CB-CD2 4.25Å; L88-L125 HydrophobicContact CD1-CD2 4.24Å; A118-L125 HydrophobicContact CB-CD1 4.15Å; A118-L125 HydrophobicContact CB-CD2 4.38Å; P122-L125 WeakPolarHBondContact O-CB 3.14Å; P122-L125 PolarHBondContact O-N 3.15Å; P122-L125 VanDerWaalsContact O-N 3.17Å
126R82.6Confident82.4Confident106 Ų10662.8 Ų62.840%0.433%0.327SS..EExtended strand (participates in β ladder)trans-111.9130.8167.4-62.6-171.6-179.2179.12.9108.9Y87 P89 L128Y87-R126 HydrophobicContact CD1-CB 4Å; Y87-R126 HydrophobicContact CD1-CG 4.42Å; Y87-R126 PolarHBondContact N-O 2.69Å; Y87-R126 PolarHBondContact O-N 2.71Å; P89-R126 HydrophobicContact CG-CG 3.91Å; P89-R126 VanDerWaalsContact CG-NE 3.32Å; R126-L128 PolarHBondContact O-N 2.88Å
127T74.1Confident82.2Confident82 Ų8263.7 Ų63.750%0.50333%0.332SS..EExtended strand (participates in β ladder)trans-65.6126.9171.5-48.40000109.4K129T127-K129 HydrophobicContact CG2-CG 4.42Å; T127-K129 PolarHBondContact O-N 3.33Å
128L71.8Confident82.1Confident38 Ų3863.7 Ų63.720%0.19933%0.332CS..  trans-88.989.9164.5-63.6171.7000106.4P67 V75 R79 V85 Y87 R126P67-L128 HydrophobicContact CB-CD1 3.58Å; P67-L128 HydrophobicContact CB-CD2 4.04Å; P67-L128 HydrophobicContact CB-CG 4.45Å; P67-L128 HydrophobicContact CG-CD1 4.29Å; P67-L128 HydrophobicContact CG-CD2 4Å; V75-L128 HydrophobicContact CG1-CD1 4.05Å; V75-L128 HydrophobicContact CG2-CD1 3.94Å; R79-L128 VanDerWaalsContact NH2-C 3.34Å; R79-L128 PolarHBondContact NH2-O 2.86Å; V85-L128 HydrophobicContact CG2-CB 4.08Å; Y87-L128 HydrophobicContact CG-CD2 4.46Å; R126-L128 PolarHBondContact O-N 2.88Å
129K65.3Low81.9Confident103 Ų10366 Ų6645%0.44835%0.348SS..  trans-55.1146.1164.8-69.5-169.1176.4-173.90108.2R79 T127 A131R79-K129 PolarHBondContact NH2-O 3.38Å; T127-K129 HydrophobicContact CG2-CG 4.42Å; T127-K129 PolarHBondContact O-N 3.33Å; K129-A131 VanDerWaalsContact C-N 3.29Å; K129-A131 PolarHBondContact O-N 3.39Å
130L55.7Low81.7Confident142 Ų14270.3 Ų70.374%0.74337%0.373SS*.  trans-46.3107.2161.4-86.3155.6000105.1D132L130-D132 PolarHBondContact O-N 3.09Å
131A58.9Low81.8Confident37 Ų3768.9 Ų68.931%0.30636%0.362SS..  trans-64.8128.3170.400000103K129 E133 A136K129-A131 VanDerWaalsContact C-N 3.29Å; K129-A131 PolarHBondContact O-N 3.39Å; A131-E133 PolarHBondContact O-N 2.79Å; A131-A136 HydrophobicContact CB-CB 4.4Å
132D68.9Low82Confident77 Ų7766.9 Ų66.941%0.41235%0.352SS..  trans-44.8130.8161-170.1-33.5000106.7L130 Q134 I135 A136L130-D132 PolarHBondContact O-N 3.09Å; D132-Q134 PolarHBondContact O-N 3.06Å; D132-Q134 VanDerWaalsContact OD1-CB 3.29Å; D132-Q134 WeakPolarHBondContact OD1-CB 3.48Å; D132-Q134 PolarHBondContact OD1-N 3.05Å; D132-I135 HydrophobicContact CB-CB 4.37Å; D132-I135 HydrophobicContact CB-CD1 4Å; D132-I135 HydrophobicContact CB-CG1 4.05Å; D132-I135 WeakPolarHBondContact O-CA 3.25Å; D132-I135 PolarHBondContact O-N 2.74Å; D132-A136 PolarHBondContact O-N 3.25Å; D132-A136 VanDerWaalsContact O-N 3.07Å
133E80.8Confident82.2Confident151 Ų15166 Ų6671%0.70635%0.352SS*.Hα-helixtrans-47.2-38.2177.4-178170.8-158.900109.9A131 I135 A136 E137A131-E133 PolarHBondContact O-N 2.79Å; E133-I135 PolarHBondContact O-N 3.06Å; E133-A136 PolarHBondContact O-N 3Å; E133-E137 WeakPolarHBondContact O-CG 3.4Å; E133-E137 PolarHBondContact O-N 2.94Å
134Q84.7Confident82.7Confident35 Ų3562.9 Ų62.916%0.16434%0.337CS..Hα-helixtrans-61-39.6175.1-166.1174.356.200113.9D132 L138 R268 A271 H272D132-Q134 PolarHBondContact O-N 3.06Å; D132-Q134 VanDerWaalsContact OD1-CB 3.29Å; D132-Q134 WeakPolarHBondContact OD1-CB 3.48Å; D132-Q134 PolarHBondContact OD1-N 3.05Å; Q134-L138 HydrophobicContact CG-CD1 4.47Å; Q134-L138 VanDerWaalsContact O-CB 3.31Å; Q134-L138 WeakPolarHBondContact O-CB 3.23Å; Q134-L138 VanDerWaalsContact O-CG 3.26Å; Q134-L138 WeakPolarHBondContact O-CG 3.49Å; Q134-L138 PolarHBondContact O-N 3.37Å; Q134-R268 HydrophobicContact CG-CB 4.4Å; Q134-R268 PolarHBondContact NE2-O 2.92Å; Q134-A271 VanDerWaalsContact NE2-CB 3.33Å; Q134-A271 PolarHBondContact NE2-O 2.71Å; Q134-H272 PolarHBondContact OE1-CD2 2.94Å
135I88.8Confident83.3Confident11 Ų1163 Ų636%0.05633%0.334CS..Hα-helixtrans-72.6-35.7177.5-65.7170.7000110.8D132 E133 S139 A297 C298D132-I135 HydrophobicContact CB-CB 4.37Å; D132-I135 HydrophobicContact CB-CD1 4Å; D132-I135 HydrophobicContact CB-CG1 4.05Å; D132-I135 WeakPolarHBondContact O-CA 3.25Å; D132-I135 PolarHBondContact O-N 2.74Å; E133-I135 PolarHBondContact O-N 3.06Å; I135-S139 WeakPolarHBondContact O-CB 3.37Å; I135-S139 PolarHBondContact O-N 2.94Å; I135-S139 PolarHBondContact O-OG 3.38Å; I135-A297 HydrophobicContact CD1-CB 3.92Å; I135-C298 WeakPolarHBondContact CD1-SG 3.42Å
136A84.9Confident83.7Confident51 Ų5165 Ų6542%0.42134%0.344SS..Hα-helixtrans-64.2-47.5175.500000111A131 D132 E133 S139 M140A131-A136 HydrophobicContact CB-CB 4.4Å; D132-A136 PolarHBondContact O-N 3.25Å; D132-A136 VanDerWaalsContact O-N 3.07Å; E133-A136 PolarHBondContact O-N 3Å; A136-S139 WeakPolarHBondContact O-CB 3.28Å; A136-S139 PolarHBondContact O-N 3.3Å; A136-M140 PolarHBondContact O-N 3.26Å; A136-M140 VanDerWaalsContact O-N 3.08Å
137E90.5Very high84.4Confident76 Ų7664.5 Ų64.536%0.35535%0.35SS..Hα-helixtrans-59.9-47.5174.2-71.1-174.3-17800112.1E133 S139 M140 L141 R268E133-E137 WeakPolarHBondContact O-CG 3.4Å; E133-E137 PolarHBondContact O-N 2.94Å; E137-S139 PolarHBondContact O-N 3.31Å; E137-M140 WeakPolarHBondContact O-CB 3.31Å; E137-M140 PolarHBondContact O-N 2.88Å; E137-M140 VanDerWaalsContact O-N 3.17Å; E137-L141 WeakPolarHBondContact O-CG 3.21Å; E137-L141 PolarHBondContact O-N 3.19Å; E137-R268 IonicContact OE2-CZ 3.8Å; E137-R268 IonicContact OE2-NE 3.38Å; E137-R268 PolarHBondContact OE2-NE 3.27Å; E137-R268 IonicContact OE2-NH2 3.2Å; E137-R268 PolarHBondContact OE2-NH2 3.15Å
138L93.5Very high85.5Confident0 Ų060.7 Ų60.70%033%0.327CS..Hα-helixtrans-58.7-37.7176-81.5172.8000112.3Q134 C142 V265 R268 V269 L293 T294Q134-L138 HydrophobicContact CG-CD1 4.47Å; Q134-L138 VanDerWaalsContact O-CB 3.31Å; Q134-L138 WeakPolarHBondContact O-CB 3.23Å; Q134-L138 VanDerWaalsContact O-CG 3.26Å; Q134-L138 WeakPolarHBondContact O-CG 3.49Å; Q134-L138 PolarHBondContact O-N 3.37Å; L138-C142 WeakPolarHBondContact O-CB 3.27Å; L138-C142 PolarHBondContact O-N 3.39Å; L138-C142 PolarHBondContact O-SG 3.01Å; L138-V265 HydrophobicContact CD2-CG1 4.17Å; L138-R268 HydrophobicContact CD1-CB 4.27Å; L138-R268 HydrophobicContact CD2-CB 3.52Å; L138-R268 HydrophobicContact CG-CB 3.75Å; L138-V269 HydrophobicContact CD1-CG2 4.33Å; L138-V269 HydrophobicContact CD2-CG2 3.87Å; L138-L293 HydrophobicContact CD1-CB 4.38Å; L138-L293 HydrophobicContact CD1-CD1 3.86Å; L138-T294 HydrophobicContact CB-CG2 3.67Å
139S90.5Very high86.7Confident50 Ų5060 Ų6035%0.3533%0.327SS..Hα-helixtrans-65.4-42178.2-610000111.2I135 A136 E137 G143 T294I135-S139 WeakPolarHBondContact O-CB 3.37Å; I135-S139 PolarHBondContact O-N 2.94Å; I135-S139 PolarHBondContact O-OG 3.38Å; A136-S139 WeakPolarHBondContact O-CB 3.28Å; A136-S139 PolarHBondContact O-N 3.3Å; E137-S139 PolarHBondContact O-N 3.31Å; S139-G143 PolarHBondContact O-N 3.39Å; S139-T294 WeakPolarHBondContact OG-CG2 3.4Å
140M91.2Very high88.3Confident152 Ų15258.1 Ų58.175%0.74933%0.33SS*.Hα-helixtrans-62.7-48.9176-173.2175.3-7000111.5A136 E137 G143 F144A136-M140 PolarHBondContact O-N 3.26Å; A136-M140 VanDerWaalsContact O-N 3.08Å; E137-M140 WeakPolarHBondContact O-CB 3.31Å; E137-M140 PolarHBondContact O-N 2.88Å; E137-M140 VanDerWaalsContact O-N 3.17Å; M140-G143 PolarHBondContact O-N 3.47Å; M140-F144 PolarHBondContact O-N 2.9Å
141L96Very high90.3Very high33 Ų3355.1 Ų55.117%0.17331%0.312CS..Hα-helixtrans-65.5-41.7179.4-66.7173.1000112.7E137 G143 F144 D145 V261 E264 V265E137-L141 WeakPolarHBondContact O-CG 3.21Å; E137-L141 PolarHBondContact O-N 3.19Å; L141-G143 VanDerWaalsContact C-N 3.31Å; L141-G143 PolarHBondContact O-N 3.38Å; L141-F144 PolarHBondContact O-N 2.92Å; L141-D145 PolarHBondContact O-N 3.3Å; L141-V261 HydrophobicContact CB-CG1 4.46Å; L141-E264 HydrophobicContact CD1-CB 3.95Å; L141-E264 HydrophobicContact CD2-CB 4.38Å; L141-V265 HydrophobicContact CB-CG2 3.66Å; L141-V265 HydrophobicContact CD1-CG2 4.27Å
142C95.7Very high92.2Very high6 Ų654 Ų544%0.04130%0.301CS..Hα-helixtrans-64.9-35.7176.9-75.40000112.4L138 D146 R291L138-C142 WeakPolarHBondContact O-CB 3.27Å; L138-C142 PolarHBondContact O-N 3.39Å; L138-C142 PolarHBondContact O-SG 3.01Å; C142-D146 PolarHBondContact O-N 3.06Å; C142-R291 PolarHBondContact O-NH2 2.98Å
143G93.1Very high93.6Very high30 Ų3054.2 Ų54.231%0.30931%0.305SS..Hα-helixtrans-66.5-43.717300000111.5S139 M140 L141 D145 D146 D147S139-G143 PolarHBondContact O-N 3.39Å; M140-G143 PolarHBondContact O-N 3.47Å; L141-G143 VanDerWaalsContact C-N 3.31Å; L141-G143 PolarHBondContact O-N 3.38Å; G143-D145 PolarHBondContact O-N 3.13Å; G143-D146 WeakPolarHBondContact O-CB 3.45Å; G143-D146 PolarHBondContact O-N 2.9Å; G143-D146 VanDerWaalsContact O-N 3.15Å; G143-D147 PolarHBondContact O-N 3.13Å; G143-D147 VanDerWaalsContact O-N 3.08Å
144F96.6Very high94.4Very high89 Ų8951.9 Ų51.939%0.3930%0.295SS..Hα-helixtrans-64.4-39.7176.8-172.9-128.9000112.9M140 L141 D146 D147 L148 V261M140-F144 PolarHBondContact O-N 2.9Å; L141-F144 PolarHBondContact O-N 2.92Å; F144-D146 VanDerWaalsContact C-N 3.31Å; F144-D146 PolarHBondContact O-N 3.18Å; F144-D147 PolarHBondContact O-N 3.42Å; F144-L148 HydrophobicContact CD1-CD1 4.01Å; F144-L148 HydrophobicContact CD2-CG 4.38Å; F144-L148 HydrophobicContact CE1-CD1 3.71Å; F144-L148 HydrophobicContact CE1-CG 4.26Å; F144-L148 HydrophobicContact CE2-CD1 4.44Å; F144-L148 HydrophobicContact CE2-CD2 4.12Å; F144-L148 HydrophobicContact CE2-CG 4.09Å; F144-L148 HydrophobicContact CG-CD1 4.49Å; F144-L148 HydrophobicContact CZ-CD1 3.94Å; F144-L148 HydrophobicContact CZ-CD2 3.95Å; F144-L148 HydrophobicContact CZ-CG 4.02Å; F144-L148 WeakPolarHBondContact O-CG 3.47Å; F144-L148 PolarHBondContact O-N 2.93Å; F144-V261 HydrophobicContact CD1-CG2 3.58Å; F144-V261 HydrophobicContact CE1-CG2 3.73Å
145D97.6Very high95.1Very high25 Ų2550.2 Ų50.213%0.13429%0.287CS..Hα-helixtrans-61.7-36.8171.9178.958.3000112.3L141 G143 L148 A149 R258 V261L141-D145 PolarHBondContact O-N 3.3Å; G143-D145 PolarHBondContact O-N 3.13Å; D145-L148 PolarHBondContact O-N 3.46Å; D145-A149 VanDerWaalsContact O-CB 3.29Å; D145-A149 WeakPolarHBondContact O-CB 3.32Å; D145-A149 PolarHBondContact O-N 2.86Å; D145-R258 IonicContact OD1-CZ 3.15Å; D145-R258 IonicContact OD1-NE 2.72Å; D145-R258 PolarHBondContact OD1-NE 3.38Å; D145-R258 IonicContact OD1-NH2 2.71Å; D145-R258 PolarHBondContact OD1-NH2 2.82Å; D145-R258 IonicContact OD2-NH2 2.66Å; D145-R258 PolarHBondContact OD2-NH2 2.91Å; D145-V261 HydrophobicContact CB-CG1 4.14Å
146D96Very high95.5Very high70 Ų7050.8 Ų50.837%0.37429%0.292SS..Hα-helixtrans-63.2-42.8175.7-73.2-32.3000111.3C142 G143 F144 A149 A150 R291C142-D146 PolarHBondContact O-N 3.06Å; G143-D146 WeakPolarHBondContact O-CB 3.45Å; G143-D146 PolarHBondContact O-N 2.9Å; G143-D146 VanDerWaalsContact O-N 3.15Å; F144-D146 VanDerWaalsContact C-N 3.31Å; F144-D146 PolarHBondContact O-N 3.18Å; D146-A149 PolarHBondContact O-N 3.2Å; D146-A150 PolarHBondContact O-N 3.41Å; D146-R291 IonicContact OD1-CZ 3.69Å; D146-R291 IonicContact OD1-NH1 2.99Å; D146-R291 IonicContact OD1-NH2 3.74Å; D146-R291 PolarHBondContact OD1-NH2 3.14Å; D146-R291 IonicContact OD2-CZ 2.76Å; D146-R291 IonicContact OD2-NH1 3.88Å; D146-R291 PolarHBondContact OD2-NH1 3.22Å; D146-R291 IonicContact OD2-NH2 3.75Å; D146-R291 PolarHBondContact OD2-NH2 2.96Å
147D97.3Very high96.2Very high97 Ų9752.5 Ų52.552%0.51929%0.294SS..Hα-helixtrans-64.6-45.3176.4-72.8-23.7000111.6G143 F144 A149 A150 Q151G143-D147 PolarHBondContact O-N 3.13Å; G143-D147 VanDerWaalsContact O-N 3.08Å; F144-D147 PolarHBondContact O-N 3.42Å; D147-A149 VanDerWaalsContact C-N 3.29Å; D147-A149 PolarHBondContact O-N 3.23Å; D147-A150 PolarHBondContact O-N 2.99Å; D147-Q151 WeakPolarHBondContact O-CG 3.42Å; D147-Q151 PolarHBondContact O-N 2.9Å
148L98.3Very high96.5Very high2 Ų255.3 Ų55.31%0.0130%0.301CS..Hα-helixtrans-62.4-37.2175.5-68.9175.8000111.8F144 D145 Q151 T152 L254 Q257 R258 V261F144-L148 HydrophobicContact CD1-CD1 4.01Å; F144-L148 HydrophobicContact CD2-CG 4.38Å; F144-L148 HydrophobicContact CE1-CD1 3.71Å; F144-L148 HydrophobicContact CE1-CG 4.26Å; F144-L148 HydrophobicContact CE2-CD1 4.44Å; F144-L148 HydrophobicContact CE2-CD2 4.12Å; F144-L148 HydrophobicContact CE2-CG 4.09Å; F144-L148 HydrophobicContact CG-CD1 4.49Å; F144-L148 HydrophobicContact CZ-CD1 3.94Å; F144-L148 HydrophobicContact CZ-CD2 3.95Å; F144-L148 HydrophobicContact CZ-CG 4.02Å; F144-L148 WeakPolarHBondContact O-CG 3.47Å; F144-L148 PolarHBondContact O-N 2.93Å; D145-L148 PolarHBondContact O-N 3.46Å; L148-Q151 PolarHBondContact O-N 2.93Å; L148-T152 VanDerWaalsContact O-CB 3.3Å; L148-T152 WeakPolarHBondContact O-CB 3.47Å; L148-T152 PolarHBondContact O-N 3.27Å; L148-T152 PolarHBondContact O-OG1 2.98Å; L148-L254 HydrophobicContact CD2-CD2 3.8Å; L148-Q257 HydrophobicContact CD1-CB 3.88Å; L148-Q257 HydrophobicContact CD2-CB 4.25Å; L148-R258 HydrophobicContact CB-CG 3.46Å; L148-R258 VanDerWaalsContact CB-CG 3.46Å; L148-R258 HydrophobicContact CD1-CG 3.86Å; L148-R258 HydrophobicContact CG-CG 4.3Å; L148-V261 HydrophobicContact CD1-CG2 4.1Å
149A97.4Very high96.8Very high24 Ų2455.3 Ų55.320%0.19830%0.301CS..Hα-helixtrans-65.1-40.6175.400000112.1D145 D146 D147 T152 T153D145-A149 VanDerWaalsContact O-CB 3.29Å; D145-A149 WeakPolarHBondContact O-CB 3.32Å; D145-A149 PolarHBondContact O-N 2.86Å; D146-A149 PolarHBondContact O-N 3.2Å; D147-A149 VanDerWaalsContact C-N 3.29Å; D147-A149 PolarHBondContact O-N 3.23Å; A149-T152 PolarHBondContact O-N 2.93Å; A149-T153 PolarHBondContact O-N 3.43Å; A149-T153 PolarHBondContact O-OG1 3.18Å
150A97.9Very high97.1Very high62 Ų6257.4 Ų57.451%0.51230%0.301SS..Hα-helixtrans-64.3-45.2174.500000111.4D146 D147 T153 Q154D146-A150 PolarHBondContact O-N 3.41Å; D147-A150 PolarHBondContact O-N 2.99Å; A150-T153 PolarHBondContact O-N 3.35Å; A150-Q154 WeakPolarHBondContact O-CB 3.31Å; A150-Q154 PolarHBondContact O-N 3.49Å
151Q98.4Very high97.5Very high79 Ų7952 Ų5237%0.36929%0.285SS..Hα-helixtrans-64-41.3176.5-69.5-179.848.800112.1D147 L148 T153 Q154 A155 L254D147-Q151 WeakPolarHBondContact O-CG 3.42Å; D147-Q151 PolarHBondContact O-N 2.9Å; L148-Q151 PolarHBondContact O-N 2.93Å; Q151-T153 VanDerWaalsContact C-N 3.32Å; Q151-T153 PolarHBondContact O-N 3.46Å; Q151-Q154 PolarHBondContact O-N 3.37Å; Q151-A155 WeakPolarHBondContact O-CB 3.4Å; Q151-A155 PolarHBondContact O-N 3.17Å; Q151-L254 HydrophobicContact CB-CD1 3.83Å; Q151-L254 HydrophobicContact CB-CD2 3.86Å
152T98.3Very high97.5Very high14 Ų1452 Ų529%0.08629%0.285CS..Hα-helixtrans-57.6-46.7174.6-62.50000110.7L148 A149 A155 S156 L251 R255L148-T152 VanDerWaalsContact O-CB 3.3Å; L148-T152 WeakPolarHBondContact O-CB 3.47Å; L148-T152 PolarHBondContact O-N 3.27Å; L148-T152 PolarHBondContact O-OG1 2.98Å; A149-T152 PolarHBondContact O-N 2.93Å; T152-A155 PolarHBondContact O-N 2.89Å; T152-S156 WeakPolarHBondContact O-CB 3.23Å; T152-S156 PolarHBondContact O-N 3.35Å; T152-L251 HydrophobicContact CG2-CD1 3.58Å; T152-R255 HydrophobicContact CG2-CG 4.34Å
153T98.3Very high97.6Very high81 Ų8151.9 Ų51.950%0.49728%0.284SS..Hα-helixtrans-63.3-44.2177.7-57.70000111.1A149 A150 Q151 S156 N157A149-T153 PolarHBondContact O-N 3.43Å; A149-T153 PolarHBondContact O-OG1 3.18Å; A150-T153 PolarHBondContact O-N 3.35Å; Q151-T153 VanDerWaalsContact C-N 3.32Å; Q151-T153 PolarHBondContact O-N 3.46Å; T153-S156 PolarHBondContact O-N 3.21Å; T153-N157 WeakPolarHBondContact O-CB 3.37Å; T153-N157 VanDerWaalsContact O-CG 3.31Å; T153-N157 PolarHBondContact O-N 2.93Å; T153-N157 PolarHBondContact O-ND2 3.34Å
154Q98.2Very high97.8Very high102 Ų10253.8 Ų53.848%0.47729%0.29SS..Hα-helixtrans-61.7-48.2177.8-170.9-16967.900111.7A150 Q151 N157 R158A150-Q154 WeakPolarHBondContact O-CB 3.31Å; A150-Q154 PolarHBondContact O-N 3.49Å; Q151-Q154 PolarHBondContact O-N 3.37Å; Q154-N157 PolarHBondContact O-N 3.01Å; Q154-R158 VanDerWaalsContact O-CG 3.3Å; Q154-R158 WeakPolarHBondContact O-CG 3.25Å; Q154-R158 PolarHBondContact O-N 3.35Å
155A98Very high97.9Very high0 Ų055 Ų550%030%0.296CS..Hα-helixtrans-62.6-44.4178.600000111.5Q151 T152 N157 R158 I159 L251 L254Q151-A155 WeakPolarHBondContact O-CB 3.4Å; Q151-A155 PolarHBondContact O-N 3.17Å; T152-A155 PolarHBondContact O-N 2.89Å; A155-N157 PolarHBondContact O-N 3.01Å; A155-R158 PolarHBondContact O-N 2.88Å; A155-I159 WeakPolarHBondContact O-CG1 3.35Å; A155-I159 PolarHBondContact O-N 3.39Å; A155-L251 HydrophobicContact CB-CB 4.36Å; A155-L251 HydrophobicContact CB-CD1 4.39Å; A155-L254 HydrophobicContact CB-CD1 4.22Å
156S98.3Very high97.9Very high23 Ų2353.9 Ų53.916%0.16129%0.29CS..Hα-helixtrans-59.4-47.9175.1-177.90000111.7T152 T153 R158 I159 R160T152-S156 WeakPolarHBondContact O-CB 3.23Å; T152-S156 PolarHBondContact O-N 3.35Å; T153-S156 PolarHBondContact O-N 3.21Å; S156-R158 VanDerWaalsContact C-N 3.32Å; S156-R158 PolarHBondContact O-N 2.89Å; S156-I159 PolarHBondContact O-N 3.38Å; S156-R160 WeakPolarHBondContact O-CG 3.17Å; S156-R160 PolarHBondContact O-N 3.4Å
157N98.5Very high97.9Very high88 Ų8850.7 Ų50.747%0.47127%0.273SS..Hα-helixtrans-64.8-33.9178.5-74.6-24.1000112.9T153 Q154 A155 R160 G161T153-N157 WeakPolarHBondContact O-CB 3.37Å; T153-N157 VanDerWaalsContact O-CG 3.31Å; T153-N157 PolarHBondContact O-N 2.93Å; T153-N157 PolarHBondContact O-ND2 3.34Å; Q154-N157 PolarHBondContact O-N 3.01Å; A155-N157 PolarHBondContact O-N 3.01Å; N157-R160 PolarHBondContact O-N 2.9Å; N157-G161 PolarHBondContact O-N 3.21Å
158R98.2Very high98Very high135 Ų13549.1 Ų49.151%0.50927%0.268SS..Hα-helixtrans-64.2-43.1172.8-75172.3121.4160-2.2111.8Q154 A155 S156 G161 L162 L247Q154-R158 VanDerWaalsContact O-CG 3.3Å; Q154-R158 WeakPolarHBondContact O-CG 3.25Å; Q154-R158 PolarHBondContact O-N 3.35Å; A155-R158 PolarHBondContact O-N 2.88Å; S156-R158 VanDerWaalsContact C-N 3.32Å; S156-R158 PolarHBondContact O-N 2.89Å; R158-G161 PolarHBondContact O-N 2.94Å; R158-L162 WeakPolarHBondContact O-CG 3.43Å; R158-L162 PolarHBondContact O-N 2.97Å; R158-L247 HydrophobicContact CB-CD1 3.94Å; R158-L247 HydrophobicContact CB-CD2 4.24Å
159I98.3Very high98Very high0 Ų049.3 Ų49.30%027%0.27CS..Hα-helixtrans-62.2-47.7174.8-64.4167.3000110.4A155 S156 G161 L162 L163 L178 L184 L187 L244 L247 L251A155-I159 WeakPolarHBondContact O-CG1 3.35Å; A155-I159 PolarHBondContact O-N 3.39Å; S156-I159 PolarHBondContact O-N 3.38Å; I159-G161 VanDerWaalsContact C-N 3.34Å; I159-G161 PolarHBondContact O-N 3.43Å; I159-L162 PolarHBondContact O-N 2.77Å; I159-L163 HydrophobicContact CG2-CD1 3.9Å; I159-L163 HydrophobicContact CG2-CG 4.3Å; I159-L163 WeakPolarHBondContact O-CG 3.36Å; I159-L163 PolarHBondContact O-N 3.04Å; I159-L178 HydrophobicContact CB-CD1 4.1Å; I159-L178 HydrophobicContact CG2-CD1 3.96Å; I159-L178 HydrophobicContact CG2-CD2 3.87Å; I159-L184 HydrophobicContact CD1-CD2 4.44Å; I159-L187 HydrophobicContact CG2-CD1 3.83Å; I159-L244 HydrophobicContact CG2-CD2 3.9Å; I159-L247 HydrophobicContact CD1-CB 4.07Å; I159-L247 HydrophobicContact CG1-CB 3.59Å; I159-L247 HydrophobicContact CG1-CD1 4.13Å; I159-L251 HydrophobicContact CD1-CB 4.39Å; I159-L251 HydrophobicContact CD1-CD2 3.82Å
160R98.4Very high98Very high93 Ų9348.3 Ų48.335%0.35126%0.262SS..Hα-helixtrans-58.2-46.1176.8-65.7-17371.6-138-4.6111.4S156 N157 L162 L163 T164 E171 L178S156-R160 WeakPolarHBondContact O-CG 3.17Å; S156-R160 PolarHBondContact O-N 3.4Å; N157-R160 PolarHBondContact O-N 2.9Å; R160-L162 PolarHBondContact O-N 3.19Å; R160-L163 PolarHBondContact O-N 3.26Å; R160-T164 PolarHBondContact O-N 3.25Å; R160-T164 PolarHBondContact O-OG1 2.69Å; R160-T164 VanDerWaalsContact O-OG1 3.05Å; R160-E171 HydrophobicContact CB-CG 4.47Å; R160-E171 IonicContact CZ-OE1 3.82Å; R160-E171 IonicContact NE-OE1 3.34Å; R160-E171 PolarHBondContact NE-OE1 2.92Å; R160-E171 IonicContact NH2-OE1 2.6Å; R160-E171 PolarHBondContact NH2-OE1 2.69Å; R160-E171 IonicContact NH2-OE2 3.6Å; R160-L178 HydrophobicContact CG-CD1 3.52Å
161G97.9Very high98Very high39 Ų3946.2 Ų46.240%0.40224%0.241SC..Hα-helixtrans-57.9-45.2176.900000113.1N157 R158 I159 T164 Q165N157-G161 PolarHBondContact O-N 3.21Å; R158-G161 PolarHBondContact O-N 2.94Å; I159-G161 VanDerWaalsContact C-N 3.34Å; I159-G161 PolarHBondContact O-N 3.43Å; G161-T164 PolarHBondContact O-N 3.06Å; G161-Q165 WeakPolarHBondContact O-CB 3.23Å; G161-Q165 PolarHBondContact O-N 3.1Å
162L97.2Very high98Very high33 Ų3349.2 Ų49.217%0.17325%0.249CC..Hα-helixtrans-64.8-42.8175.9-72.9178.4000112.2R158 I159 R160 Q165 I166 A240 V243 L244 L247R158-L162 WeakPolarHBondContact O-CG 3.43Å; R158-L162 PolarHBondContact O-N 2.97Å; I159-L162 PolarHBondContact O-N 2.77Å; R160-L162 PolarHBondContact O-N 3.19Å; L162-Q165 PolarHBondContact O-N 2.95Å; L162-I166 WeakPolarHBondContact O-CG1 3.47Å; L162-I166 PolarHBondContact O-N 3.26Å; L162-A240 HydrophobicContact CD2-CB 4.5Å; L162-V243 HydrophobicContact CD1-CB 4.1Å; L162-V243 HydrophobicContact CD1-CG1 3.71Å; L162-L244 HydrophobicContact CB-CD2 4.02Å; L162-L244 HydrophobicContact CB-CG 4.39Å; L162-L244 HydrophobicContact CD1-CD2 4.04Å; L162-L244 HydrophobicContact CD1-CG 4.07Å; L162-L247 HydrophobicContact CD1-CD1 3.57Å
163L97.9Very high98Very high4 Ų449.3 Ų49.32%0.02125%0.25CC..Hα-helixtrans-62.7-44.5176.1-70.5172.9000111.2I159 R160 Q165 I166 H167 E171 L174 L187 L244I159-L163 HydrophobicContact CG2-CD1 3.9Å; I159-L163 HydrophobicContact CG2-CG 4.3Å; I159-L163 WeakPolarHBondContact O-CG 3.36Å; I159-L163 PolarHBondContact O-N 3.04Å; R160-L163 PolarHBondContact O-N 3.26Å; L163-Q165 VanDerWaalsContact C-N 3.27Å; L163-Q165 PolarHBondContact O-N 2.74Å; L163-I166 PolarHBondContact O-N 2.77Å; L163-H167 CarbonylContact O-C 3.03Å; L163-H167 WeakPolarHBondContact O-CA 3.35Å; L163-H167 PolarHBondContact O-N 3.26Å; L163-H167 VanDerWaalsContact O-O 3.07Å; L163-E171 HydrophobicContact CB-CB 3.66Å; L163-E171 HydrophobicContact CB-CG 3.75Å; L163-L174 HydrophobicContact CD1-CB 4.12Å; L163-L187 HydrophobicContact CD2-CD2 4.28Å; L163-L244 HydrophobicContact CD2-CD1 4.41Å
164T97.7Very high98Very high70 Ų7045.5 Ų45.543%0.42923%0.226SC..Hα-helixtrans-58.8-40.4173.8-59.60000111.2R160 G161 P168 E171R160-T164 PolarHBondContact O-N 3.25Å; R160-T164 PolarHBondContact O-OG1 2.69Å; R160-T164 VanDerWaalsContact O-OG1 3.05Å; G161-T164 PolarHBondContact O-N 3.06Å; T164-P168 WeakPolarHBondContact O-CD 3.47Å; T164-P168 VanDerWaalsContact O-CG 3.29Å; T164-P168 WeakPolarHBondContact O-CG 3.3Å; T164-E171 WeakPolarHBondContact OG1-CG 3.46Å
165Q97.1Very high98Very high113 Ų11340.8 Ų40.853%0.52821%0.205SC..Hα-helixtrans-67.6-46.3-179.4-178.9-179.7-10.800112.5G161 L162 L163G161-Q165 WeakPolarHBondContact O-CB 3.23Å; G161-Q165 PolarHBondContact O-N 3.1Å; L162-Q165 PolarHBondContact O-N 2.95Å; L163-Q165 VanDerWaalsContact C-N 3.27Å; L163-Q165 PolarHBondContact O-N 2.74Å
166I97.3Very high98Very high2 Ų245.3 Ų45.31%0.0124%0.235CC..Hα-helixtrans-89.4-30.3-172.871.7-175000113L162 L163 Q230 T237 A240 L244L162-I166 WeakPolarHBondContact O-CG1 3.47Å; L162-I166 PolarHBondContact O-N 3.26Å; L163-I166 PolarHBondContact O-N 2.77Å; I166-Q230 PolarHBondContact O-NE2 3.46Å; I166-T237 HydrophobicContact CB-CG2 4.5Å; I166-A240 HydrophobicContact CD1-CB 3.99Å; I166-A240 HydrophobicContact CG2-CB 3.58Å; I166-L244 HydrophobicContact CD1-CD1 3.82Å
167H98Very high97.9Very high4 Ų447.2 Ų47.22%0.01924%0.238CC..  trans-163.281.2-173.3-158.6-46.8000113L163 A169 L170 E171 P193 A226L163-H167 CarbonylContact O-C 3.03Å; L163-H167 WeakPolarHBondContact O-CA 3.35Å; L163-H167 PolarHBondContact O-N 3.26Å; L163-H167 VanDerWaalsContact O-O 3.07Å; H167-A169 VanDerWaalsContact C-N 3.27Å; H167-A169 PolarHBondContact O-N 2.93Å; H167-A169 VanDerWaalsContact O-N 3.11Å; H167-L170 HydrophobicContact CB-CB 4.06Å; H167-L170 HydrophobicContact CB-CD1 3.89Å; H167-L170 HydrophobicContact CB-CG 4.21Å; H167-L170 PolarHBondContact ND1-N 2.75Å; H167-L170 WeakPolarHBondContact O-CB 3.47Å; H167-L170 PolarHBondContact O-N 3.47Å; H167-E171 PolarHBondContact O-N 2.87Å; H167-E171 VanDerWaalsContact O-N 3.17Å; H167-P193 HydrophobicContact CB-CG 3.96Å; H167-A226 PolarHBondContact CE1-O 3.25Å
168P98.2Very high97.9Very high63 Ų6343.2 Ų43.241%0.40922%0.217SC..Hα-helixtrans-52.4-36.7-177.4-25.730.1000115.3T164 E171 R172T164-P168 WeakPolarHBondContact O-CD 3.47Å; T164-P168 VanDerWaalsContact O-CG 3.29Å; T164-P168 WeakPolarHBondContact O-CG 3.3Å; P168-E171 PolarHBondContact O-N 3.13Å; P168-R172 PolarHBondContact O-N 3.49Å; P168-R172 VanDerWaalsContact O-N 3.1Å
169A98.4Very high97.7Very high7 Ų744.5 Ų44.56%0.05823%0.229CC..Hα-helixtrans-64.4-39.3177.200000112.8H167 E171 R172 V173 A226 E229H167-A169 VanDerWaalsContact C-N 3.27Å; H167-A169 PolarHBondContact O-N 2.93Å; H167-A169 VanDerWaalsContact O-N 3.11Å; A169-E171 VanDerWaalsContact C-N 3.34Å; A169-R172 PolarHBondContact O-N 3.23Å; A169-V173 PolarHBondContact O-N 3.06Å; A169-A226 HydrophobicContact CB-CB 4.06Å; A169-E229 HydrophobicContact CB-CB 4.07Å
170L98.1Very high97.6Very high2 Ų247 Ų471%0.0124%0.24CC..Hα-helixtrans-66.5-36.6173.2-79.4178.2000111.6H167 V173 L174 P193 L196 I223 A226 L227H167-L170 HydrophobicContact CB-CB 4.06Å; H167-L170 HydrophobicContact CB-CD1 3.89Å; H167-L170 HydrophobicContact CB-CG 4.21Å; H167-L170 PolarHBondContact ND1-N 2.75Å; H167-L170 WeakPolarHBondContact O-CB 3.47Å; H167-L170 PolarHBondContact O-N 3.47Å; L170-V173 PolarHBondContact O-N 2.97Å; L170-L174 HydrophobicContact CD2-CD1 4.49Å; L170-L174 WeakPolarHBondContact O-CB 3.38Å; L170-L174 PolarHBondContact O-N 3.44Å; L170-P193 HydrophobicContact CD1-CB 4.1Å; L170-P193 HydrophobicContact CD1-CG 3.94Å; L170-L196 HydrophobicContact CD1-CD1 3.97Å; L170-L196 HydrophobicContact CD2-CD1 4.35Å; L170-I223 HydrophobicContact CD2-CG2 4Å; L170-A226 HydrophobicContact CD2-CB 4.17Å; L170-L227 HydrophobicContact CD1-CD2 3.76Å; L170-L227 HydrophobicContact CD2-CD2 4.05Å; L170-L227 HydrophobicContact CD2-CG 4.06Å; L170-L227 HydrophobicContact CG-CD2 4.13Å
171E98.2Very high97.5Very high18 Ų1846.5 Ų46.58%0.08425%0.249CC..Hα-helixtrans-61.1-44.4175.9-164.7-81.215000111.9R160 L163 T164 H167 P168 A169 V173 L174 G175 P176R160-E171 HydrophobicContact CB-CG 4.47Å; R160-E171 IonicContact CZ-OE1 3.82Å; R160-E171 IonicContact NE-OE1 3.34Å; R160-E171 PolarHBondContact NE-OE1 2.92Å; R160-E171 IonicContact NH2-OE1 2.6Å; R160-E171 PolarHBondContact NH2-OE1 2.69Å; R160-E171 IonicContact NH2-OE2 3.6Å; L163-E171 HydrophobicContact CB-CB 3.66Å; L163-E171 HydrophobicContact CB-CG 3.75Å; T164-E171 WeakPolarHBondContact OG1-CG 3.46Å; H167-E171 PolarHBondContact O-N 2.87Å; H167-E171 VanDerWaalsContact O-N 3.17Å; P168-E171 PolarHBondContact O-N 3.13Å; A169-E171 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 3.5Å; E171-V173 VanDerWaalsContact O-N 3.14Å; E171-L174 PolarHBondContact O-N 3.24Å; E171-G175 VanDerWaalsContact O-CA 3.29Å; E171-G175 WeakPolarHBondContact O-CA 3.21Å; E171-G175 PolarHBondContact O-N 3.32Å; E171-P176 WeakPolarHBondContact O-CD 3.11Å
172R98.5Very high97.5Very high142 Ų14244.7 Ų44.754%0.53623%0.23SC..Hα-helixtrans-56.9-31.8176.8-71.4-174.9-64.7122.83.9112.7P168 A169 P176 E229P168-R172 PolarHBondContact O-N 3.49Å; P168-R172 VanDerWaalsContact O-N 3.1Å; A169-R172 PolarHBondContact O-N 3.23Å; R172-P176 WeakPolarHBondContact O-CD 3.34Å; R172-E229 IonicContact CZ-OE2 3.22Å; R172-E229 VanDerWaalsContact NH2-CD 3.34Å; R172-E229 IonicContact NH2-OE1 2.97Å; R172-E229 PolarHBondContact NH2-OE1 3.19Å; R172-E229 IonicContact NH2-OE2 3.53Å; R172-E229 PolarHBondContact NH2-OE2 3.37Å
173V98.3Very high97.5Very high17 Ų1743.1 Ų43.110%0.10322%0.222CC..Hα-helixtrans-84.3-50.4178.91740000111.8A169 L170 E171 R177 L219 D222 I223 A226A169-V173 PolarHBondContact O-N 3.06Å; L170-V173 PolarHBondContact O-N 2.97Å; E171-V173 PolarHBondContact O-N 3.5Å; E171-V173 VanDerWaalsContact O-N 3.14Å; V173-R177 VanDerWaalsContact CG1-NH1 3.34Å; V173-R177 WeakPolarHBondContact O-CD 3.4Å; V173-R177 PolarHBondContact O-NH1 2.85Å; V173-L219 HydrophobicContact CG1-CD1 3.78Å; V173-D222 HydrophobicContact CG1-CB 3.73Å; V173-D222 HydrophobicContact CG2-CB 4.21Å; V173-I223 HydrophobicContact CG1-CG1 3.82Å; V173-A226 HydrophobicContact CG2-CB 3.82Å
174L98Very high97.5Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-89-35.8-170.7-61.7178.4000113L163 L170 E171 R177 L178 V183 L187 L219 I223L163-L174 HydrophobicContact CD1-CB 4.12Å; L170-L174 HydrophobicContact CD2-CD1 4.49Å; L170-L174 WeakPolarHBondContact O-CB 3.38Å; L170-L174 PolarHBondContact O-N 3.44Å; E171-L174 PolarHBondContact O-N 3.24Å; L174-R177 CarbonylContact O-C 3.37Å; L174-R177 WeakPolarHBondContact O-CA 3.48Å; L174-R177 PolarHBondContact O-N 3.33Å; L174-L178 PolarHBondContact O-N 3.24Å; L174-L178 VanDerWaalsContact O-N 3.14Å; L174-V183 HydrophobicContact CB-CG1 4.3Å; L174-V183 HydrophobicContact CD2-CG1 4.2Å; L174-L187 HydrophobicContact CD1-CD2 4.04Å; L174-L219 HydrophobicContact CD2-CD1 4.47Å; L174-I223 HydrophobicContact CD2-CD1 3.8Å; L174-I223 HydrophobicContact CD2-CG1 3.94Å
175G97.5Very high97.5Very high4 Ų440.7 Ų40.74%0.04121%0.206CC..G310 helixtrans-55.1-53.7-174.200000113.6E171 R177 L178E171-G175 VanDerWaalsContact O-CA 3.29Å; E171-G175 WeakPolarHBondContact O-CA 3.21Å; E171-G175 PolarHBondContact O-N 3.32Å; G175-R177 PolarHBondContact O-N 2.98Å; G175-R177 VanDerWaalsContact O-N 3.1Å; G175-L178 WeakPolarHBondContact O-CG 3.41Å; G175-L178 PolarHBondContact O-N 2.92Å
176P97.2Very high97.5Very high94 Ų9435.3 Ų35.361%0.6118%0.181SC*.G310 helixtrans-63.4-14175.2-24.335.2000114.5E171 R172E171-P176 WeakPolarHBondContact O-CD 3.11Å; R172-P176 WeakPolarHBondContact O-CD 3.34Å
177R97.3Very high97.5Very high64 Ų6435.3 Ų35.324%0.24218%0.181CC..G310 helixtrans-110.810.4-174.4-58.6179.3-177.7123-14.9112.8V173 L174 G175 E179 H180 V183 D222V173-R177 VanDerWaalsContact CG1-NH1 3.34Å; V173-R177 WeakPolarHBondContact O-CD 3.4Å; V173-R177 PolarHBondContact O-NH1 2.85Å; L174-R177 CarbonylContact O-C 3.37Å; L174-R177 WeakPolarHBondContact O-CA 3.48Å; L174-R177 PolarHBondContact O-N 3.33Å; G175-R177 PolarHBondContact O-N 2.98Å; G175-R177 VanDerWaalsContact O-N 3.1Å; R177-E179 PolarHBondContact O-N 2.97Å; R177-E179 VanDerWaalsContact O-N 3.08Å; R177-H180 VanDerWaalsContact O-CB 3.31Å; R177-H180 WeakPolarHBondContact O-CB 3.32Å; R177-H180 PolarHBondContact O-N 3.44Å; R177-V183 HydrophobicContact CB-CG2 3.98Å; R177-V183 WeakPolarHBondContact O-CG2 3.44Å; R177-D222 IonicContact CZ-OD2 3.48Å; R177-D222 IonicContact NH1-OD2 3.4Å; R177-D222 PolarHBondContact NH1-OD2 3.18Å; R177-D222 IonicContact NH2-OD2 2.71Å; R177-D222 PolarHBondContact NH2-OD2 2.97Å
178L97.3Very high97.5Very high3 Ų338.4 Ų38.42%0.01620%0.196CC..THydrogen-bonded Turntrans-62.2-16.5178.8-71.1175.6000113.4I159 R160 L174 G175 H180 V183 L184 L187 R255I159-L178 HydrophobicContact CB-CD1 4.1Å; I159-L178 HydrophobicContact CG2-CD1 3.96Å; I159-L178 HydrophobicContact CG2-CD2 3.87Å; R160-L178 HydrophobicContact CG-CD1 3.52Å; L174-L178 PolarHBondContact O-N 3.24Å; L174-L178 VanDerWaalsContact O-N 3.14Å; G175-L178 WeakPolarHBondContact O-CG 3.41Å; G175-L178 PolarHBondContact O-N 2.92Å; L178-H180 PolarHBondContact O-N 3.44Å; L178-V183 HydrophobicContact CD2-CG1 3.82Å; L178-L184 HydrophobicContact CD2-CD2 4.07Å; L178-L187 HydrophobicContact CD2-CD1 3.68Å; L178-R255 PolarHBondContact O-NH1 2.94Å; L178-R255 PolarHBondContact O-NH2 3.21Å
179E94.1Very high97.4Very high162 Ų16241.7 Ų41.776%0.75720%0.2SC*.THydrogen-bonded Turntrans-65.7-22.6170.1-63.7-145.7151.100113.6R177 R255R177-E179 PolarHBondContact O-N 2.97Å; R177-E179 VanDerWaalsContact O-N 3.08Å; E179-R255 VanDerWaalsContact C-NH1 3.3Å; E179-R255 VanDerWaalsContact CA-NH1 3.27Å; E179-R255 VanDerWaalsContact CA-NH2 3.34Å; E179-R255 PolarHBondContact O-NH1 3.33Å
180H96.6Very high97.3Very high54 Ų5444.1 Ų44.125%0.2521%0.208CC..SBendtrans-83.6127.3-175.1-161.2-66.5000112.2R177 L178 A182 V183 L184 L211 A212R177-H180 VanDerWaalsContact O-CB 3.31Å; R177-H180 WeakPolarHBondContact O-CB 3.32Å; R177-H180 PolarHBondContact O-N 3.44Å; L178-H180 PolarHBondContact O-N 3.44Å; H180-A182 VanDerWaalsContact C-N 3.3Å; H180-A182 VanDerWaalsContact ND1-CB 3.32Å; H180-A182 WeakPolarHBondContact ND1-CB 3.34Å; H180-A182 PolarHBondContact ND1-N 3.45Å; H180-A182 VanDerWaalsContact ND1-N 3.18Å; H180-A182 PolarHBondContact O-N 3.49Å; H180-V183 HydrophobicContact CB-CG2 4.19Å; H180-V183 PolarHBondContact O-N 3.44Å; H180-L184 PolarHBondContact O-N 3.08Å; H180-L211 PolarHBondContact CE1-O 3.24Å; H180-A212 WeakPolarHBondContact CE1-CB 3.41Å
181P96.5Very high97.2Very high81 Ų8144.3 Ų44.353%0.52621%0.21SC..Hα-helixtrans-54.3-41.2179.9-28.835000114.2V183 L184 D185P181-V183 VanDerWaalsContact C-N 3.26Å; P181-V183 PolarHBondContact O-N 2.89Å; P181-L184 PolarHBondContact O-N 2.95Å; P181-L184 VanDerWaalsContact O-N 3.14Å; P181-D185 PolarHBondContact O-N 2.85Å
182A97.5Very high97.1Very high2 Ų243.9 Ų43.92%0.01721%0.208CC..Hα-helixtrans-56.4-34.8175.900000114.4H180 L186 L208 L211 A212H180-A182 VanDerWaalsContact C-N 3.3Å; H180-A182 VanDerWaalsContact ND1-CB 3.32Å; H180-A182 WeakPolarHBondContact ND1-CB 3.34Å; H180-A182 PolarHBondContact ND1-N 3.45Å; H180-A182 VanDerWaalsContact ND1-N 3.18Å; H180-A182 PolarHBondContact O-N 3.49Å; A182-L186 VanDerWaalsContact O-CB 3.28Å; A182-L186 WeakPolarHBondContact O-CB 3.5Å; A182-L186 PolarHBondContact O-N 3.45Å; A182-L208 HydrophobicContact CB-CD2 4.03Å; A182-L211 HydrophobicContact CB-CB 3.67Å; A182-A212 HydrophobicContact CB-CB 3.69Å
183V98Very high97Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-71.5-39.9178.6172.50000110.3L174 R177 L178 H180 P181 L186 L187 L219L174-V183 HydrophobicContact CB-CG1 4.3Å; L174-V183 HydrophobicContact CD2-CG1 4.2Å; R177-V183 HydrophobicContact CB-CG2 3.98Å; R177-V183 WeakPolarHBondContact O-CG2 3.44Å; L178-V183 HydrophobicContact CD2-CG1 3.82Å; H180-V183 HydrophobicContact CB-CG2 4.19Å; H180-V183 PolarHBondContact O-N 3.44Å; P181-V183 VanDerWaalsContact C-N 3.26Å; P181-V183 PolarHBondContact O-N 2.89Å; V183-L186 PolarHBondContact O-N 3.34Å; V183-L187 HydrophobicContact CG1-CD1 4.25Å; V183-L187 WeakPolarHBondContact O-CG 3.45Å; V183-L187 PolarHBondContact O-N 3.22Å; V183-L219 HydrophobicContact CG2-CD2 3.91Å
184L97.8Very high97Very high2 Ų244.2 Ų44.21%0.0122%0.217CC..Hα-helixtrans-70.4-39.9177.3-58.6-176.7000112.1I159 L178 H180 P181 L186 L187 Q188 L251 I252 R255I159-L184 HydrophobicContact CD1-CD2 4.44Å; L178-L184 HydrophobicContact CD2-CD2 4.07Å; H180-L184 PolarHBondContact O-N 3.08Å; P181-L184 PolarHBondContact O-N 2.95Å; P181-L184 VanDerWaalsContact O-N 3.14Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L187 PolarHBondContact O-N 2.97Å; L184-Q188 WeakPolarHBondContact O-CB 3.46Å; L184-Q188 PolarHBondContact O-N 3.1Å; L184-L251 HydrophobicContact CD1-CB 4.3Å; L184-L251 HydrophobicContact CD1-CD2 4.06Å; L184-L251 HydrophobicContact CD1-CG 3.9Å; L184-L251 HydrophobicContact CD2-CD2 3.74Å; L184-L251 HydrophobicContact CD2-CG 4.4Å; L184-I252 HydrophobicContact CB-CD1 3.89Å; L184-I252 HydrophobicContact CB-CG1 3.83Å; L184-I252 HydrophobicContact CD1-CG1 3.71Å; L184-I252 HydrophobicContact CG-CG1 4.43Å; L184-R255 VanDerWaalsContact CD1-NH1 3.33Å
185D97.4Very high96.9Very high20 Ų2049 Ų4911%0.10724%0.238CC..Hα-helixtrans-60.1-43.7171.7178.678.7000111.2P181 Q188 R189 Q207 L211P181-D185 PolarHBondContact O-N 2.85Å; D185-Q188 PolarHBondContact O-N 2.86Å; D185-R189 VanDerWaalsContact CG-NE 3.34Å; D185-R189 WeakPolarHBondContact O-CG 3.45Å; D185-R189 PolarHBondContact O-N 3.41Å; D185-R189 VanDerWaalsContact O-N 3.11Å; D185-R189 IonicContact OD1-CZ 3.25Å; D185-R189 VanDerWaalsContact OD1-CZ 3.25Å; D185-R189 IonicContact OD1-NE 2.84Å; D185-R189 PolarHBondContact OD1-NE 2.84Å; D185-R189 IonicContact OD1-NH2 2.84Å; D185-R189 PolarHBondContact OD1-NH2 3.22Å; D185-R189 IonicContact OD2-CZ 3.72Å; D185-R189 IonicContact OD2-NE 3.17Å; D185-R189 PolarHBondContact OD2-NE 2.97Å; D185-R189 IonicContact OD2-NH2 3.8Å; D185-Q207 PolarHBondContact OD2-NE2 3.07Å; D185-L211 HydrophobicContact CB-CD1 3.68Å
186L97.6Very high96.9Very high0 Ų049 Ų490%024%0.236CC..Hα-helixtrans-60.6-49.5176.6-173.278.1000111.4A182 V183 L184 Q188 R189 Y190 L196 L204 L208 I223A182-L186 VanDerWaalsContact O-CB 3.28Å; A182-L186 WeakPolarHBondContact O-CB 3.5Å; A182-L186 PolarHBondContact O-N 3.45Å; V183-L186 PolarHBondContact O-N 3.34Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 2.8Å; L186-R189 PolarHBondContact O-N 3.18Å; L186-Y190 HydrophobicContact CD1-CD2 3.84Å; L186-Y190 WeakPolarHBondContact O-CA 3.14Å; L186-Y190 PolarHBondContact O-N 3.46Å; L186-L196 HydrophobicContact CD1-CD2 3.95Å; L186-L196 HydrophobicContact CD2-CD2 3.72Å; L186-L196 HydrophobicContact CG-CD2 3.76Å; L186-L204 HydrophobicContact CD1-CD2 3.96Å; L186-L208 HydrophobicContact CB-CD2 4.29Å; L186-L208 HydrophobicContact CD2-CD2 4.21Å; L186-I223 HydrophobicContact CD2-CD1 3.74Å
187L97.3Very high96.8Very high2 Ų247.1 Ų47.11%0.0123%0.229CC..Hα-helixtrans-65.3-27.3179-72.3176.1000113.1I159 L163 L174 L178 V183 L184 P191 A248I159-L187 HydrophobicContact CG2-CD1 3.83Å; L163-L187 HydrophobicContact CD2-CD2 4.28Å; L174-L187 HydrophobicContact CD1-CD2 4.04Å; L178-L187 HydrophobicContact CD2-CD1 3.68Å; V183-L187 HydrophobicContact CG1-CD1 4.25Å; V183-L187 WeakPolarHBondContact O-CG 3.45Å; V183-L187 PolarHBondContact O-N 3.22Å; L184-L187 PolarHBondContact O-N 2.97Å; L187-P191 WeakPolarHBondContact O-CA 3.37Å; L187-P191 WeakPolarHBondContact O-CB 3.27Å; L187-A248 HydrophobicContact CB-CB 4.16Å
188Q97.3Very high96.8Very high70 Ų7048.4 Ų48.433%0.32725%0.248SC..Hα-helixtrans-72.2-39.7175.1-171179.18900112.1L184 D185 L186 P245 A248L184-Q188 WeakPolarHBondContact O-CB 3.46Å; L184-Q188 PolarHBondContact O-N 3.1Å; D185-Q188 PolarHBondContact O-N 2.86Å; L186-Q188 PolarHBondContact O-N 2.8Å; Q188-P245 HydrophobicContact CG-CB 4.31Å; Q188-P245 WeakPolarHBondContact O-CB 3.48Å; Q188-A248 HydrophobicContact CB-CB 4.47Å
189R96.5Very high96.7Very high131 Ų13149.6 Ų49.649%0.49425%0.254SS..Hα-helixtrans-88.2-36.7-176.5-63.2179.3-164.5-136.32.2113.4D185 L186 P191D185-R189 VanDerWaalsContact CG-NE 3.34Å; D185-R189 WeakPolarHBondContact O-CG 3.45Å; D185-R189 PolarHBondContact O-N 3.41Å; D185-R189 VanDerWaalsContact O-N 3.11Å; D185-R189 IonicContact OD1-CZ 3.25Å; D185-R189 VanDerWaalsContact OD1-CZ 3.25Å; D185-R189 IonicContact OD1-NE 2.84Å; D185-R189 PolarHBondContact OD1-NE 2.84Å; D185-R189 IonicContact OD1-NH2 2.84Å; D185-R189 PolarHBondContact OD1-NH2 3.22Å; D185-R189 IonicContact OD2-CZ 3.72Å; D185-R189 IonicContact OD2-NE 3.17Å; D185-R189 PolarHBondContact OD2-NE 2.97Å; D185-R189 IonicContact OD2-NH2 3.8Å; L186-R189 PolarHBondContact O-N 3.18Å; R189-P191 VanDerWaalsContact C-CD 3.44Å; R189-P191 WeakPolarHBondContact O-CD 3.3Å
190Y97.1Very high96.8Very high58 Ų5843.4 Ų43.423%0.22723%0.234CC..  trans-127.770.2-174.3-51.3-79.7000110.2L186 S192 K195 L199 Q207L186-Y190 HydrophobicContact CD1-CD2 3.84Å; L186-Y190 WeakPolarHBondContact O-CA 3.14Å; L186-Y190 PolarHBondContact O-N 3.46Å; Y190-S192 VanDerWaalsContact C-N 3.27Å; Y190-S192 PolarHBondContact O-N 3.3Å; Y190-K195 HydrophobicContact CD1-CB 4.5Å; Y190-L199 HydrophobicContact CD1-CD1 3.71Å; Y190-L199 HydrophobicContact CD1-CD2 4.41Å; Y190-L199 HydrophobicContact CD1-CG 4.05Å; Y190-L199 HydrophobicContact CD2-CD1 3.85Å; Y190-L199 HydrophobicContact CE1-CD1 3.64Å; Y190-L199 HydrophobicContact CE1-CD2 3.69Å; Y190-L199 HydrophobicContact CE1-CG 3.83Å; Y190-L199 HydrophobicContact CE2-CD1 3.77Å; Y190-L199 HydrophobicContact CG-CD1 3.82Å; Y190-Q207 HydrophobicContact CE2-CG 4.22Å
191P95.4Very high96.8Very high7 Ų745.8 Ų45.85%0.04525%0.245CC..  trans-80.47.3-168.233-40.2000115.5L187 R189 K195 A241 L244 P245L187-P191 WeakPolarHBondContact O-CA 3.37Å; L187-P191 WeakPolarHBondContact O-CB 3.27Å; R189-P191 VanDerWaalsContact C-CD 3.44Å; R189-P191 WeakPolarHBondContact O-CD 3.3Å; P191-K195 HydrophobicContact CG-CD 4.28Å; P191-A241 WeakPolarHBondContact CB-O 3.3Å; P191-A241 HydrophobicContact CG-CB 4.31Å; P191-A241 VanDerWaalsContact CG-O 3.27Å; P191-A241 WeakPolarHBondContact CG-O 3.5Å; P191-L244 HydrophobicContact CB-CB 4.07Å; P191-L244 WeakPolarHBondContact O-CD1 3.31Å; P191-P245 HydrophobicContact CB-CG 4.19Å; P191-P245 HydrophobicContact CG-CG 4.38Å
192S96Very high96.9Very high8 Ų851.1 Ų51.16%0.05626%0.26CS..SBendtrans-135.9154.2-178.970.70000112Y190 E194 K195 L196Y190-S192 VanDerWaalsContact C-N 3.27Å; Y190-S192 PolarHBondContact O-N 3.3Å; S192-E194 VanDerWaalsContact C-N 3.26Å; S192-E194 PolarHBondContact O-N 2.96Å; S192-K195 PolarHBondContact O-N 2.93Å; S192-K195 VanDerWaalsContact O-N 3.15Å; S192-K195 WeakPolarHBondContact OG-CB 3.31Å; S192-K195 WeakPolarHBondContact OG-CG 3.47Å; S192-K195 PolarHBondContact OG-N 2.84Å; S192-L196 WeakPolarHBondContact O-CG 3.45Å; S192-L196 PolarHBondContact O-N 2.99Å
193P97.3Very high96.9Very high20 Ų2057.5 Ų57.513%0.1329%0.287CS..Hα-helixtrans-53.8-43.2175.6-25.934.2000113H167 L170 K195 L196 A197 L227H167-P193 HydrophobicContact CB-CG 3.96Å; L170-P193 HydrophobicContact CD1-CB 4.1Å; L170-P193 HydrophobicContact CD1-CG 3.94Å; P193-K195 PolarHBondContact O-N 3.29Å; P193-L196 PolarHBondContact O-N 3.46Å; P193-A197 WeakPolarHBondContact O-CB 2.87Å; P193-A197 PolarHBondContact O-N 2.93Å; P193-L227 HydrophobicContact CB-CD2 3.79Å; P193-L227 WeakPolarHBondContact O-CD2 3.41Å
194E96.5Very high96.9Very high147 Ų14757.6 Ų57.669%0.68729%0.288SS*.Hα-helixtrans-60.4-45.5176.9-174.7-172179.600112.5S192 L196 A197 S198S192-E194 VanDerWaalsContact C-N 3.26Å; S192-E194 PolarHBondContact O-N 2.96Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 2.99Å; E194-A197 PolarHBondContact O-N 3.41Å; E194-S198 PolarHBondContact O-N 3.02Å
195K96.3Very high96.9Very high100 Ų10058.2 Ų58.244%0.43529%0.293SS..Hα-helixtrans-67.4-31.6177.6-76.1-178.6176.2-175.80112.7Y190 P191 S192 P193 S198Y190-K195 HydrophobicContact CD1-CB 4.5Å; P191-K195 HydrophobicContact CG-CD 4.28Å; S192-K195 PolarHBondContact O-N 2.93Å; S192-K195 VanDerWaalsContact O-N 3.15Å; S192-K195 WeakPolarHBondContact OG-CB 3.31Å; S192-K195 WeakPolarHBondContact OG-CG 3.47Å; S192-K195 PolarHBondContact OG-N 2.84Å; P193-K195 PolarHBondContact O-N 3.29Å; K195-S198 PolarHBondContact O-OG 2.91Å
196L97.2Very high96.9Very high3 Ų360.1 Ų60.12%0.01631%0.312CS..Hα-helixtrans-71-43.4173.6-70.2168.5000110.8L170 L186 S192 P193 E194 S198 L199 L204 L227L170-L196 HydrophobicContact CD1-CD1 3.97Å; L170-L196 HydrophobicContact CD2-CD1 4.35Å; L186-L196 HydrophobicContact CD1-CD2 3.95Å; L186-L196 HydrophobicContact CD2-CD2 3.72Å; L186-L196 HydrophobicContact CG-CD2 3.76Å; S192-L196 WeakPolarHBondContact O-CG 3.45Å; S192-L196 PolarHBondContact O-N 2.99Å; P193-L196 PolarHBondContact O-N 3.46Å; E194-L196 VanDerWaalsContact C-N 3.31Å; E194-L196 PolarHBondContact O-N 2.99Å; L196-S198 VanDerWaalsContact C-N 3.34Å; L196-S198 PolarHBondContact O-N 3.29Å; L196-L199 PolarHBondContact O-N 3.22Å; L196-L204 HydrophobicContact CD2-CD2 3.94Å; L196-L227 HydrophobicContact CB-CD1 3.93Å; L196-L227 HydrophobicContact CB-CD2 4.35Å
197A96.7Very high96.9Very high55 Ų5560.9 Ų60.946%0.45532%0.315SS..Hα-helixtrans-63-38.9178.400000112.3P193 E194 L199 G200 L227P193-A197 WeakPolarHBondContact O-CB 2.87Å; P193-A197 PolarHBondContact O-N 2.93Å; E194-A197 PolarHBondContact O-N 3.41Å; A197-L199 PolarHBondContact O-N 3.44Å; A197-G200 PolarHBondContact O-N 2.98Å; A197-L227 HydrophobicContact CB-CD1 4.18Å
198S96.1Very high96.9Very high91 Ų9160.9 Ų60.964%0.63632%0.315SS*.THydrogen-bonded Turntrans-64.8-20-177.972.70000114.6E194 K195 L196E194-S198 PolarHBondContact O-N 3.02Å; K195-S198 PolarHBondContact O-OG 2.91Å; L196-S198 VanDerWaalsContact C-N 3.34Å; L196-S198 PolarHBondContact O-N 3.29Å
199L95.7Very high96.9Very high29 Ų2959.3 Ų59.315%0.15231%0.312CS..THydrogen-bonded Turntrans-72.6-37.1171.6-72.7176.7000112.1Y190 L196 A197 K203 L204Y190-L199 HydrophobicContact CD1-CD1 3.71Å; Y190-L199 HydrophobicContact CD1-CD2 4.41Å; Y190-L199 HydrophobicContact CD1-CG 4.05Å; Y190-L199 HydrophobicContact CD2-CD1 3.85Å; Y190-L199 HydrophobicContact CE1-CD1 3.64Å; Y190-L199 HydrophobicContact CE1-CD2 3.69Å; Y190-L199 HydrophobicContact CE1-CG 3.83Å; Y190-L199 HydrophobicContact CE2-CD1 3.77Å; Y190-L199 HydrophobicContact CG-CD1 3.82Å; L196-L199 PolarHBondContact O-N 3.22Å; A197-L199 PolarHBondContact O-N 3.44Å; L199-K203 HydrophobicContact CB-CB 4.09Å; L199-K203 HydrophobicContact CD2-CB 4.23Å; L199-K203 HydrophobicContact CD2-CD 4.46Å; L199-K203 VanDerWaalsContact O-CB 3.28Å; L199-K203 WeakPolarHBondContact O-CB 3.41Å; L199-K203 WeakPolarHBondContact O-CD 3.48Å; L199-K203 WeakPolarHBondContact O-CG 3.39Å; L199-L204 HydrophobicContact CB-CD2 4.26Å; L199-L204 HydrophobicContact CB-CG 3.95Å; L199-L204 HydrophobicContact CD1-CD2 3.57Å; L199-L204 HydrophobicContact CD1-CG 4.11Å
200G95.5Very high97Very high32 Ų3259.8 Ų59.833%0.3332%0.317SS..Hα-helixtrans67.7163.2-164.700000113.3A197 K202 K203 L204A197-G200 PolarHBondContact O-N 2.98Å; G200-K202 PolarHBondContact O-N 2.93Å; G200-K203 PolarHBondContact O-N 3.1Å; G200-L204 WeakPolarHBondContact O-CG 3.37Å; G200-L204 PolarHBondContact O-N 3.21Å
201E97.7Very high97Very high104 Ų10461.2 Ų61.249%0.48633%0.329SS..Hα-helixtrans-56.6-44.6-171.7-170.6-170.6142.100113.3K203 L204 A205 A220 A224E201-K203 PolarHBondContact O-N 2.96Å; E201-L204 WeakPolarHBondContact O-CB 3.33Å; E201-L204 PolarHBondContact O-N 2.8Å; E201-A205 WeakPolarHBondContact O-CB 3.48Å; E201-A205 PolarHBondContact O-N 3.06Å; E201-A220 HydrophobicContact CG-CB 4.34Å; E201-A224 HydrophobicContact CB-CB 4.16Å; E201-A224 HydrophobicContact CG-CB 4.25Å
202K97.6Very high97.1Very high192 Ų19261 Ų6184%0.83533%0.328SS*.Hα-helixtrans-61.2-43.4-178.1-68.5-177.5-179.6177.20112.4G200 A206G200-K202 PolarHBondContact O-N 2.93Å; K202-A206 PolarHBondContact O-N 3.07Å; K202-A206 VanDerWaalsContact O-N 3.08Å
203K97.7Very high97.1Very high137 Ų13765.5 Ų65.560%0.59636%0.356SS*.Hα-helixtrans-75.6-36179.1-60.7-176-175.8168.80111.4L199 G200 E201 A205 A206 Q207L199-K203 HydrophobicContact CB-CB 4.09Å; L199-K203 HydrophobicContact CD2-CB 4.23Å; L199-K203 HydrophobicContact CD2-CD 4.46Å; L199-K203 VanDerWaalsContact O-CB 3.28Å; L199-K203 WeakPolarHBondContact O-CB 3.41Å; L199-K203 WeakPolarHBondContact O-CD 3.48Å; L199-K203 WeakPolarHBondContact O-CG 3.39Å; G200-K203 PolarHBondContact O-N 3.1Å; E201-K203 PolarHBondContact O-N 2.96Å; K203-A205 VanDerWaalsContact C-N 3.32Å; K203-A205 PolarHBondContact O-N 3.22Å; K203-A206 PolarHBondContact O-N 3.45Å; K203-Q207 PolarHBondContact O-N 3.4Å
204L97.7Very high97.1Very high2 Ų276.8 Ų76.81%0.0140%0.396CS..Hα-helixtrans-55.9-48170.3-77.2168.8000110.9L186 L196 L199 G200 E201 A206 Q207 L208 A220 I223L186-L204 HydrophobicContact CD1-CD2 3.96Å; L196-L204 HydrophobicContact CD2-CD2 3.94Å; L199-L204 HydrophobicContact CB-CD2 4.26Å; L199-L204 HydrophobicContact CB-CG 3.95Å; L199-L204 HydrophobicContact CD1-CD2 3.57Å; L199-L204 HydrophobicContact CD1-CG 4.11Å; G200-L204 WeakPolarHBondContact O-CG 3.37Å; G200-L204 PolarHBondContact O-N 3.21Å; E201-L204 WeakPolarHBondContact O-CB 3.33Å; E201-L204 PolarHBondContact O-N 2.8Å; L204-A206 PolarHBondContact O-N 3.34Å; L204-Q207 PolarHBondContact O-N 2.77Å; L204-L208 WeakPolarHBondContact O-CB 3.42Å; L204-L208 WeakPolarHBondContact O-CG 3.5Å; L204-L208 PolarHBondContact O-N 2.8Å; L204-A220 HydrophobicContact CB-CB 3.84Å; L204-I223 HydrophobicContact CD1-CG2 4Å
205A98.2Very high97Very high15 Ų1572 Ų7212%0.12438%0.375CS..Hα-helixtrans-60.9-44.4177.700000111.8E201 K203 Q207 L208 C209 K217 A220E201-A205 WeakPolarHBondContact O-CB 3.48Å; E201-A205 PolarHBondContact O-N 3.06Å; K203-A205 VanDerWaalsContact C-N 3.32Å; K203-A205 PolarHBondContact O-N 3.22Å; A205-Q207 PolarHBondContact O-N 2.9Å; A205-L208 PolarHBondContact O-N 3.14Å; A205-C209 VanDerWaalsContact O-CB 3.24Å; A205-C209 WeakPolarHBondContact O-CB 3.5Å; A205-C209 PolarHBondContact O-N 3.03Å; A205-C209 PolarHBondContact O-SG 2.66Å; A205-K217 HydrophobicContact CB-CG 4.39Å; A205-A220 HydrophobicContact CB-CB 3.68Å
206A97.6Very high97Very high60 Ų6067.2 Ų67.250%0.49636%0.355SS..Hα-helixtrans-61.5-42.7177.100000112.2K202 K203 L204K202-A206 PolarHBondContact O-N 3.07Å; K202-A206 VanDerWaalsContact O-N 3.08Å; K203-A206 PolarHBondContact O-N 3.45Å; L204-A206 PolarHBondContact O-N 3.34Å
207Q96.7Very high97.1Very high16 Ų1674.8 Ų74.88%0.07539%0.387CS..Hα-helixtrans-67.4-47178.3-177.761.314.900111.8D185 Y190 K203 L204 A205 C209 K210D185-Q207 PolarHBondContact OD2-NE2 3.07Å; Y190-Q207 HydrophobicContact CE2-CG 4.22Å; K203-Q207 PolarHBondContact O-N 3.4Å; L204-Q207 PolarHBondContact O-N 2.77Å; A205-Q207 PolarHBondContact O-N 2.9Å; Q207-C209 PolarHBondContact O-N 2.89Å; Q207-K210 WeakPolarHBondContact O-CB 3.29Å; Q207-K210 PolarHBondContact O-N 3.09Å
208L98.1Very high97.1Very high1 Ų180.6 Ų80.61%0.00540%0.397CS..Hα-helixtrans-64-40179.7-74.8168.3000112.2A182 L186 L204 A205 K210 L211 A212 L219 A220 I223A182-L208 HydrophobicContact CB-CD2 4.03Å; L186-L208 HydrophobicContact CB-CD2 4.29Å; L186-L208 HydrophobicContact CD2-CD2 4.21Å; L204-L208 WeakPolarHBondContact O-CB 3.42Å; L204-L208 WeakPolarHBondContact O-CG 3.5Å; L204-L208 PolarHBondContact O-N 2.8Å; A205-L208 PolarHBondContact O-N 3.14Å; L208-K210 PolarHBondContact O-N 3.16Å; L208-K210 VanDerWaalsContact O-N 3.13Å; L208-L211 PolarHBondContact O-N 2.89Å; L208-L211 VanDerWaalsContact O-N 3.13Å; L208-A212 WeakPolarHBondContact O-CA 3.44Å; L208-A212 VanDerWaalsContact O-CB 3.32Å; L208-A212 WeakPolarHBondContact O-CB 3.14Å; L208-A212 PolarHBondContact O-N 3.34Å; L208-L219 HydrophobicContact CD1-CB 4.12Å; L208-L219 HydrophobicContact CD1-CD2 4.05Å; L208-L219 HydrophobicContact CD1-CG 3.89Å; L208-L219 HydrophobicContact CD2-CD2 3.99Å; L208-A220 HydrophobicContact CD1-CB 4.17Å; L208-I223 HydrophobicContact CD1-CD1 3.95Å
209C98Very high97.2Very high38 Ų3876.2 Ų76.226%0.25737%0.367SS..Hα-helixtrans-62.3-19.7-179.3-76.60000114A205 Q207 L211A205-C209 VanDerWaalsContact O-CB 3.24Å; A205-C209 WeakPolarHBondContact O-CB 3.5Å; A205-C209 PolarHBondContact O-N 3.03Å; A205-C209 PolarHBondContact O-SG 2.66Å; Q207-C209 PolarHBondContact O-N 2.89Å; C209-L211 PolarHBondContact O-N 3.31Å
210K97.6Very high97.4Very high141 Ų14174.9 Ų74.961%0.61336%0.36SS*.THydrogen-bonded Turntrans-60.1-34.8174.2-66.3176.3-178.2170.90112.6Q207 L208Q207-K210 WeakPolarHBondContact O-CB 3.29Å; Q207-K210 PolarHBondContact O-N 3.09Å; L208-K210 PolarHBondContact O-N 3.16Å; L208-K210 VanDerWaalsContact O-N 3.13Å
211L97.1Very high97.5Very high88 Ų8875.1 Ų75.146%0.46136%0.359SS..THydrogen-bonded Turntrans-117.5-13-178.9-65.1177000112.7H180 A182 D185 L208 C209H180-L211 PolarHBondContact CE1-O 3.24Å; A182-L211 HydrophobicContact CB-CB 3.67Å; D185-L211 HydrophobicContact CB-CD1 3.68Å; L208-L211 PolarHBondContact O-N 2.89Å; L208-L211 VanDerWaalsContact O-N 3.13Å; C209-L211 PolarHBondContact O-N 3.31Å
212A97.1Very high97.5Very high3 Ų371.9 Ų71.93%0.02535%0.345CS..  trans-135.360.5-176.200000112.3H180 A182 L208 R214 L215 G216H180-A212 WeakPolarHBondContact CE1-CB 3.41Å; A182-A212 HydrophobicContact CB-CB 3.69Å; L208-A212 WeakPolarHBondContact O-CA 3.44Å; L208-A212 VanDerWaalsContact O-CB 3.32Å; L208-A212 WeakPolarHBondContact O-CB 3.14Å; L208-A212 PolarHBondContact O-N 3.34Å; A212-R214 PolarHBondContact O-N 2.61Å; A212-R214 VanDerWaalsContact O-N 3.09Å; A212-L215 HydrophobicContact CB-CB 4.27Å; A212-L215 PolarHBondContact O-N 3.38Å; A212-G216 WeakPolarHBondContact O-CA 3.48Å; A212-G216 PolarHBondContact O-N 3.26Å
213P96.8Very high97.6Very high102 Ų10262.7 Ų62.766%0.66231%0.305SS*.THydrogen-bonded Turntrans-58.6-30.9-171.321.6-33.7000114.4
214R96.3Very high97.6Very high256 Ų25657.6 Ų57.697%0.96629%0.288SS*.THydrogen-bonded Turntrans-89-14.3-179.8-60.9-178.3-174.41671.8114.4A212A212-R214 PolarHBondContact O-N 2.61Å; A212-R214 VanDerWaalsContact O-N 3.09Å
215L95.5Very high97.6Very high47 Ų4763.6 Ų63.625%0.24632%0.316CS..THydrogen-bonded Turntrans-119.1-26.8-172.7177.365.1000112.6A212 K217 R218 L219A212-L215 HydrophobicContact CB-CB 4.27Å; A212-L215 PolarHBondContact O-N 3.38Å; L215-K217 PolarHBondContact O-N 3.08Å; L215-R218 PolarHBondContact O-N 2.86Å; L215-L219 HydrophobicContact CD1-CB 4.47Å; L215-L219 HydrophobicContact CD2-CD2 4.38Å; L215-L219 HydrophobicContact CG-CB 4.14Å; L215-L219 WeakPolarHBondContact O-CB 3.07Å; L215-L219 PolarHBondContact O-N 3.47Å
216G97.1Very high97.6Very high0 Ų063 Ų630%031%0.311CS..Hα-helixtrans-58.7-41.4-164.200000114.6A212 A220A212-G216 WeakPolarHBondContact O-CA 3.48Å; A212-G216 PolarHBondContact O-N 3.26Å; G216-A220 WeakPolarHBondContact O-CB 3.26Å; G216-A220 PolarHBondContact O-N 2.84Å
217K97.8Very high97.6Very high161 Ų16161.3 Ų61.370%0.729%0.293SS*.Hα-helixtrans-62.9-50.8176.5-67.3-175-179.6-179.70112.2A205 L215 L219 A220 A221A205-K217 HydrophobicContact CB-CG 4.39Å; L215-K217 PolarHBondContact O-N 3.08Å; K217-L219 VanDerWaalsContact C-N 3.33Å; K217-L219 PolarHBondContact O-N 3.24Å; K217-A220 PolarHBondContact O-N 3.36Å; K217-A221 PolarHBondContact O-N 3.5Å; K217-A221 VanDerWaalsContact O-N 3.12Å
218R98Very high97.7Very high177 Ų17764.4 Ų64.467%0.66832%0.321SS*.Hα-helixtrans-61.6-44.1178.4-179.3179.6177.5174.32.7111L215 A220 A221 D222L215-R218 PolarHBondContact O-N 2.86Å; R218-A220 VanDerWaalsContact C-N 3.33Å; R218-A220 PolarHBondContact O-N 3.44Å; R218-A221 PolarHBondContact O-N 2.89Å; R218-D222 PolarHBondContact O-N 2.98Å
219L97.9Very high97.7Very high0 Ų069.4 Ų69.40%035%0.345CS..Hα-helixtrans-65.3-36.5179.1-178.958.9000112.1V173 L174 V183 L208 L215 K217 D222 I223V173-L219 HydrophobicContact CG1-CD1 3.78Å; L174-L219 HydrophobicContact CD2-CD1 4.47Å; V183-L219 HydrophobicContact CG2-CD2 3.91Å; L208-L219 HydrophobicContact CD1-CB 4.12Å; L208-L219 HydrophobicContact CD1-CD2 4.05Å; L208-L219 HydrophobicContact CD1-CG 3.89Å; L208-L219 HydrophobicContact CD2-CD2 3.99Å; L215-L219 HydrophobicContact CD1-CB 4.47Å; L215-L219 HydrophobicContact CD2-CD2 4.38Å; L215-L219 HydrophobicContact CG-CB 4.14Å; L215-L219 WeakPolarHBondContact O-CB 3.07Å; L215-L219 PolarHBondContact O-N 3.47Å; K217-L219 VanDerWaalsContact C-N 3.33Å; K217-L219 PolarHBondContact O-N 3.24Å; L219-D222 PolarHBondContact O-N 3.43Å; L219-I223 HydrophobicContact CD1-CD1 4.22Å; L219-I223 HydrophobicContact CD1-CG1 4.31Å; L219-I223 HydrophobicContact CG-CD1 3.94Å; L219-I223 HydrophobicContact CG-CG1 4.5Å; L219-I223 WeakPolarHBondContact O-CB 3.46Å; L219-I223 WeakPolarHBondContact O-CD1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.45Å; L219-I223 PolarHBondContact O-N 3.36Å
220A98.4Very high97.7Very high0 Ų069.9 Ų69.90%034%0.343CS..Hα-helixtrans-63.2-42.6174.100000112.3E201 L204 A205 L208 G216 K217 R218 I223 A224E201-A220 HydrophobicContact CG-CB 4.34Å; L204-A220 HydrophobicContact CB-CB 3.84Å; A205-A220 HydrophobicContact CB-CB 3.68Å; L208-A220 HydrophobicContact CD1-CB 4.17Å; G216-A220 WeakPolarHBondContact O-CB 3.26Å; G216-A220 PolarHBondContact O-N 2.84Å; K217-A220 PolarHBondContact O-N 3.36Å; R218-A220 VanDerWaalsContact C-N 3.33Å; R218-A220 PolarHBondContact O-N 3.44Å; A220-I223 PolarHBondContact O-N 2.93Å; A220-A224 WeakPolarHBondContact O-CB 3.39Å; A220-A224 PolarHBondContact O-N 2.73Å
221A98.4Very high97.6Very high37 Ų3769.9 Ų69.931%0.30636%0.355SS..Hα-helixtrans-62.5-46.5173.900000111.6K217 R218 I223 A224 Q225K217-A221 PolarHBondContact O-N 3.5Å; K217-A221 VanDerWaalsContact O-N 3.12Å; R218-A221 PolarHBondContact O-N 2.89Å; A221-I223 VanDerWaalsContact C-N 3.29Å; A221-I223 PolarHBondContact O-N 2.89Å; A221-A224 PolarHBondContact O-N 3.34Å; A221-Q225 WeakPolarHBondContact O-CB 3.14Å; A221-Q225 PolarHBondContact O-N 3.27Å
222D98.5Very high97.5Very high36 Ų3670.6 Ų70.619%0.19336%0.363CS..Hα-helixtrans-57.5-41.3175.3-68.5-5.5000111.4V173 R177 R218 L219 A226V173-D222 HydrophobicContact CG1-CB 3.73Å; V173-D222 HydrophobicContact CG2-CB 4.21Å; R177-D222 IonicContact CZ-OD2 3.48Å; R177-D222 IonicContact NH1-OD2 3.4Å; R177-D222 PolarHBondContact NH1-OD2 3.18Å; R177-D222 IonicContact NH2-OD2 2.71Å; R177-D222 PolarHBondContact NH2-OD2 2.97Å; R218-D222 PolarHBondContact O-N 2.98Å; L219-D222 PolarHBondContact O-N 3.43Å; D222-A226 VanDerWaalsContact O-CB 3.32Å; D222-A226 WeakPolarHBondContact O-CB 3.48Å; D222-A226 PolarHBondContact O-N 3.36Å
223I98.4Very high97.5Very high0 Ų075.7 Ų75.70%039%0.393CS..Hα-helixtrans-67.3-46.5177.7-70163.1000110.9L170 V173 L174 L186 L204 L208 L219 A220 A221 Q225 A226 L227L170-I223 HydrophobicContact CD2-CG2 4Å; V173-I223 HydrophobicContact CG1-CG1 3.82Å; L174-I223 HydrophobicContact CD2-CD1 3.8Å; L174-I223 HydrophobicContact CD2-CG1 3.94Å; L186-I223 HydrophobicContact CD2-CD1 3.74Å; L204-I223 HydrophobicContact CD1-CG2 4Å; L208-I223 HydrophobicContact CD1-CD1 3.95Å; L219-I223 HydrophobicContact CD1-CD1 4.22Å; L219-I223 HydrophobicContact CD1-CG1 4.31Å; L219-I223 HydrophobicContact CG-CD1 3.94Å; L219-I223 HydrophobicContact CG-CG1 4.5Å; L219-I223 WeakPolarHBondContact O-CB 3.46Å; L219-I223 WeakPolarHBondContact O-CD1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.45Å; L219-I223 PolarHBondContact O-N 3.36Å; A220-I223 PolarHBondContact O-N 2.93Å; A221-I223 VanDerWaalsContact C-N 3.29Å; A221-I223 PolarHBondContact O-N 2.89Å; I223-Q225 VanDerWaalsContact C-N 3.32Å; I223-Q225 PolarHBondContact O-N 3.42Å; I223-A226 PolarHBondContact O-N 2.86Å; I223-L227 HydrophobicContact CG2-CD1 3.91Å; I223-L227 HydrophobicContact CG2-CG 4.34Å; I223-L227 VanDerWaalsContact O-CG 3.29Å; I223-L227 WeakPolarHBondContact O-CG 3.36Å; I223-L227 PolarHBondContact O-N 3.28Å
224A98.2Very high97.5Very high29 Ų2973 Ų7324%0.2438%0.375CS..Hα-helixtrans-61.5-42.6179.600000111.4E201 A220 A221 L227 A228E201-A224 HydrophobicContact CB-CB 4.16Å; E201-A224 HydrophobicContact CG-CB 4.25Å; A220-A224 WeakPolarHBondContact O-CB 3.39Å; A220-A224 PolarHBondContact O-N 2.73Å; A221-A224 PolarHBondContact O-N 3.34Å; A224-L227 PolarHBondContact O-N 2.92Å; A224-A228 PolarHBondContact O-N 2.88Å
225Q98.4Very high97.5Very high129 Ų12966.5 Ų66.560%0.60337%0.366SS*.Hα-helixtrans-61-49.1172.9-177.1177.40.600111.1A221 I223 L227 A228 E229A221-Q225 WeakPolarHBondContact O-CB 3.14Å; A221-Q225 PolarHBondContact O-N 3.27Å; I223-Q225 VanDerWaalsContact C-N 3.32Å; I223-Q225 PolarHBondContact O-N 3.42Å; Q225-L227 VanDerWaalsContact C-N 3.32Å; Q225-L227 PolarHBondContact O-N 3.14Å; Q225-A228 WeakPolarHBondContact O-CB 3.29Å; Q225-A228 PolarHBondContact O-N 3.06Å; Q225-A228 VanDerWaalsContact O-N 3.09Å; Q225-E229 PolarHBondContact O-N 2.94Å
226A98.3Very high97.4Very high1 Ų166.3 Ų66.31%0.00838%0.376CS..Hα-helixtrans-59.6-40.8179.900000112.7H167 A169 L170 V173 D222 I223 A228 E229H167-A226 PolarHBondContact CE1-O 3.25Å; A169-A226 HydrophobicContact CB-CB 4.06Å; L170-A226 HydrophobicContact CD2-CB 4.17Å; V173-A226 HydrophobicContact CG2-CB 3.82Å; D222-A226 VanDerWaalsContact O-CB 3.32Å; D222-A226 WeakPolarHBondContact O-CB 3.48Å; D222-A226 PolarHBondContact O-N 3.36Å; I223-A226 PolarHBondContact O-N 2.86Å; A226-A228 VanDerWaalsContact C-N 3.26Å; A226-A228 PolarHBondContact O-N 2.89Å; A226-E229 WeakPolarHBondContact O-CB 3.42Å; A226-E229 PolarHBondContact O-N 3.33Å
227L98Very high97.5Very high26 Ų2666.9 Ų66.914%0.13638%0.379CS..Hα-helixtrans-61-34.6176.2-72.8167.5000112.6L170 P193 L196 A197 I223 A224 Q225 E229L170-L227 HydrophobicContact CD1-CD2 3.76Å; L170-L227 HydrophobicContact CD2-CD2 4.05Å; L170-L227 HydrophobicContact CD2-CG 4.06Å; L170-L227 HydrophobicContact CG-CD2 4.13Å; P193-L227 HydrophobicContact CB-CD2 3.79Å; P193-L227 WeakPolarHBondContact O-CD2 3.41Å; L196-L227 HydrophobicContact CB-CD1 3.93Å; L196-L227 HydrophobicContact CB-CD2 4.35Å; A197-L227 HydrophobicContact CB-CD1 4.18Å; I223-L227 HydrophobicContact CG2-CD1 3.91Å; I223-L227 HydrophobicContact CG2-CG 4.34Å; I223-L227 VanDerWaalsContact O-CG 3.29Å; I223-L227 WeakPolarHBondContact O-CG 3.36Å; I223-L227 PolarHBondContact O-N 3.28Å; A224-L227 PolarHBondContact O-N 2.92Å; Q225-L227 VanDerWaalsContact C-N 3.32Å; Q225-L227 PolarHBondContact O-N 3.14Å; L227-E229 VanDerWaalsContact C-N 3.27Å; L227-E229 PolarHBondContact O-N 2.82Å
228A97.6Very high97.3Very high80 Ų8065.1 Ų65.166%0.66138%0.377SS*.Hα-helixtrans-73.1-17.317900000113.4A224 Q225 A226 Q230A224-A228 PolarHBondContact O-N 2.88Å; Q225-A228 WeakPolarHBondContact O-CB 3.29Å; Q225-A228 PolarHBondContact O-N 3.06Å; Q225-A228 VanDerWaalsContact O-N 3.09Å; A226-A228 VanDerWaalsContact C-N 3.26Å; A226-A228 PolarHBondContact O-N 2.89Å; A228-Q230 VanDerWaalsContact C-N 3.29Å; A228-Q230 PolarHBondContact O-N 3.27Å
229E98Very high97.3Very high106 Ų10659.5 Ų59.550%0.49537%0.369SS..THydrogen-bonded Turntrans-76.3-12.4-179.6-64.3-177.8-150.800113.7A169 R172 Q225 A226 L227A169-E229 HydrophobicContact CB-CB 4.07Å; R172-E229 IonicContact CZ-OE2 3.22Å; R172-E229 VanDerWaalsContact NH2-CD 3.34Å; R172-E229 IonicContact NH2-OE1 2.97Å; R172-E229 PolarHBondContact NH2-OE1 3.19Å; R172-E229 IonicContact NH2-OE2 3.53Å; R172-E229 PolarHBondContact NH2-OE2 3.37Å; Q225-E229 PolarHBondContact O-N 2.94Å; A226-E229 WeakPolarHBondContact O-CB 3.42Å; A226-E229 PolarHBondContact O-N 3.33Å; L227-E229 VanDerWaalsContact C-N 3.27Å; L227-E229 PolarHBondContact O-N 2.82Å
230Q97.9Very high97.2Very high49 Ų4959.8 Ų59.823%0.22937%0.371CS..  trans-133.8113-178.2-174.7-178.4-51.800111.1I166 A228 V232I166-Q230 PolarHBondContact O-NE2 3.46Å; A228-Q230 VanDerWaalsContact C-N 3.29Å; A228-Q230 PolarHBondContact O-N 3.27Å; Q230-V232 WeakPolarHBondContact CG-O 3.33Å; Q230-V232 PolarHBondContact NE2-O 3.23Å
231T95.2Very high97.1Very high140 Ų14060.7 Ų60.786%0.85938%0.378SS*.  trans-92.9-18.3177.455.60000113.2
232V96.7Very high97.1Very high104 Ų10462.7 Ų62.763%0.6339%0.387SS*.SBendtrans-93136-176.9-178.70000110.9Q230Q230-V232 WeakPolarHBondContact CG-O 3.33Å; Q230-V232 PolarHBondContact NE2-O 3.23Å
233V96.6Very high97Very high109 Ų10964.1 Ų64.166%0.66140%0.397SS*.PPolyproline II helixtrans-91.4121.4173.6-178.10000109.7T237V233-T237 HydrophobicContact CG1-CG2 4.33Å
234V96.9Very high97Very high46 Ų4664.1 Ų64.128%0.27940%0.397SS..PPolyproline II helixtrans-72.7134177.5-178.90000110G236 T237V234-G236 PolarHBondContact O-N 2.85Å; V234-T237 WeakPolarHBondContact O-CB 3.39Å; V234-T237 PolarHBondContact O-N 3.15Å; V234-T237 VanDerWaalsContact O-N 3.13Å; V234-T237 PolarHBondContact O-OG1 3Å
235P95.8Very high97Very high120 Ų12064 Ų6478%0.77939%0.393SS*.THydrogen-bonded Turntrans-52.5133.4171.5-27.435.5000112
236G94.2Very high97Very high43 Ų4365.6 Ų65.644%0.44339%0.394SS..THydrogen-bonded Turntrans94-3.9-175.300000115.1V234 N238 A239 A240V234-G236 PolarHBondContact O-N 2.85Å; G236-N238 VanDerWaalsContact C-N 3.25Å; G236-N238 PolarHBondContact O-N 3.01Å; G236-A239 WeakPolarHBondContact O-CB 3.32Å; G236-A239 PolarHBondContact O-N 3.43Å; G236-A240 PolarHBondContact O-N 2.95Å
237T97.4Very high97Very high11 Ų1166.2 Ų66.27%0.06740%0.397CS..Hα-helixtrans-54.4-39.8175.5-63.30000112.6I166 V233 V234 A239 A240 A241I166-T237 HydrophobicContact CB-CG2 4.5Å; V233-T237 HydrophobicContact CG1-CG2 4.33Å; V234-T237 WeakPolarHBondContact O-CB 3.39Å; V234-T237 PolarHBondContact O-N 3.15Å; V234-T237 VanDerWaalsContact O-N 3.13Å; V234-T237 PolarHBondContact O-OG1 3Å; T237-A239 VanDerWaalsContact C-N 3.35Å; T237-A239 PolarHBondContact O-N 2.73Å; T237-A240 WeakPolarHBondContact O-CB 3.29Å; T237-A240 PolarHBondContact O-N 2.97Å; T237-A241 PolarHBondContact O-N 3.46Å
238N95.4Very high97Very high124 Ų12465 Ų6566%0.66339%0.391SS*.Hα-helixtrans-64.3-37.9177-69.5-12.5000112.5G236 A241 V242G236-N238 VanDerWaalsContact C-N 3.25Å; G236-N238 PolarHBondContact O-N 3.01Å; N238-A241 WeakPolarHBondContact O-CB 3.28Å; N238-A241 PolarHBondContact O-N 3.33Å; N238-V242 PolarHBondContact O-N 2.91Å
239A96.6Very high97Very high60 Ų6065.4 Ų65.450%0.49638%0.381SS..Hα-helixtrans-68.7-40.2174.600000111.2G236 T237 A241 V242 V243G236-A239 WeakPolarHBondContact O-CB 3.32Å; G236-A239 PolarHBondContact O-N 3.43Å; T237-A239 VanDerWaalsContact C-N 3.35Å; T237-A239 PolarHBondContact O-N 2.73Å; A239-A241 VanDerWaalsContact C-N 3.26Å; A239-A241 PolarHBondContact O-N 3.4Å; A239-V242 WeakPolarHBondContact O-CB 3.34Å; A239-V242 PolarHBondContact O-N 2.94Å; A239-V243 WeakPolarHBondContact O-CG2 3.4Å; A239-V243 PolarHBondContact O-N 3.23Å; A239-V243 VanDerWaalsContact O-N 3.13Å
240A96.5Very high97.1Very high6 Ų663.7 Ų63.75%0.0537%0.373CS..Hα-helixtrans-59.9-37.117400000112L162 I166 G236 T237 V242 V243 L244L162-A240 HydrophobicContact CD2-CB 4.5Å; I166-A240 HydrophobicContact CD1-CB 3.99Å; I166-A240 HydrophobicContact CG2-CB 3.58Å; G236-A240 PolarHBondContact O-N 2.95Å; T237-A240 WeakPolarHBondContact O-CB 3.29Å; T237-A240 PolarHBondContact O-N 2.97Å; A240-V242 PolarHBondContact O-N 2.71Å; A240-V243 PolarHBondContact O-N 2.94Å; A240-L244 WeakPolarHBondContact O-CB 3.34Å; A240-L244 WeakPolarHBondContact O-CG 3.46Å; A240-L244 PolarHBondContact O-N 2.72Å
241A96.2Very high97.1Very high18 Ų1861.3 Ų61.315%0.14936%0.362CS..Hα-helixtrans-63.6-23.1175.500000113.6P191 T237 N238 A239 P245P191-A241 WeakPolarHBondContact CB-O 3.3Å; P191-A241 HydrophobicContact CG-CB 4.31Å; P191-A241 VanDerWaalsContact CG-O 3.27Å; P191-A241 WeakPolarHBondContact CG-O 3.5Å; T237-A241 PolarHBondContact O-N 3.46Å; N238-A241 WeakPolarHBondContact O-CB 3.28Å; N238-A241 PolarHBondContact O-N 3.33Å; A239-A241 VanDerWaalsContact C-N 3.26Å; A239-A241 PolarHBondContact O-N 3.4Å; A241-P245 VanDerWaalsContact O-CD 3.29Å; A241-P245 WeakPolarHBondContact O-CD 3.45Å
242V97.5Very high97.2Very high80 Ų8057.7 Ų57.749%0.48534%0.337SS..Hα-helixtrans-81-38.3171.91780000110.7N238 A239 A240 R246N238-V242 PolarHBondContact O-N 2.91Å; A239-V242 WeakPolarHBondContact O-CB 3.34Å; A239-V242 PolarHBondContact O-N 2.94Å; A240-V242 PolarHBondContact O-N 2.71Å; V242-R246 PolarHBondContact O-NH1 3.01Å
243V98.1Very high97.3Very high65 Ų6555.7 Ų55.739%0.39433%0.325SS..Hα-helixtrans-82.5-43.7-173.8178.90000113.2L162 A239 A240 P245 R246 L247L162-V243 HydrophobicContact CD1-CB 4.1Å; L162-V243 HydrophobicContact CD1-CG1 3.71Å; A239-V243 WeakPolarHBondContact O-CG2 3.4Å; A239-V243 PolarHBondContact O-N 3.23Å; A239-V243 VanDerWaalsContact O-N 3.13Å; A240-V243 PolarHBondContact O-N 2.94Å; V243-P245 VanDerWaalsContact C-CD 3.45Å; V243-R246 WeakPolarHBondContact O-CB 3.13Å; V243-R246 PolarHBondContact O-N 2.87Å; V243-R246 VanDerWaalsContact O-N 3.12Å; V243-L247 HydrophobicContact CG1-CD1 3.77Å; V243-L247 HydrophobicContact CG1-CG 4.01Å; V243-L247 PolarHBondContact O-N 3.2Å; V243-L247 VanDerWaalsContact O-N 3.11Å
244L98Very high97.4Very high1 Ų150.9 Ų50.91%0.00530%0.295CS..Hα-helixtrans-50.8-46.6-176.9-82.3168.9000115.1I159 L162 L163 I166 P191 A240 R246 L247 A248I159-L244 HydrophobicContact CG2-CD2 3.9Å; L162-L244 HydrophobicContact CB-CD2 4.02Å; L162-L244 HydrophobicContact CB-CG 4.39Å; L162-L244 HydrophobicContact CD1-CD2 4.04Å; L162-L244 HydrophobicContact CD1-CG 4.07Å; L163-L244 HydrophobicContact CD2-CD1 4.41Å; I166-L244 HydrophobicContact CD1-CD1 3.82Å; P191-L244 HydrophobicContact CB-CB 4.07Å; P191-L244 WeakPolarHBondContact O-CD1 3.31Å; A240-L244 WeakPolarHBondContact O-CB 3.34Å; A240-L244 WeakPolarHBondContact O-CG 3.46Å; A240-L244 PolarHBondContact O-N 2.72Å; L244-R246 VanDerWaalsContact C-N 3.28Å; L244-R246 PolarHBondContact O-N 2.98Å; L244-L247 PolarHBondContact O-N 3.17Å; L244-A248 WeakPolarHBondContact O-CB 3.47Å; L244-A248 PolarHBondContact O-N 3.08Å
245P98.1Very high97.4Very high26 Ų2650.8 Ų50.817%0.16929%0.29CS..Hα-helixtrans-68.3-29.2-177.626.8-33.8000112.4Q188 P191 A241 V243 L249Q188-P245 HydrophobicContact CG-CB 4.31Å; Q188-P245 WeakPolarHBondContact O-CB 3.48Å; P191-P245 HydrophobicContact CB-CG 4.19Å; P191-P245 HydrophobicContact CG-CG 4.38Å; A241-P245 VanDerWaalsContact O-CD 3.29Å; A241-P245 WeakPolarHBondContact O-CD 3.45Å; V243-P245 VanDerWaalsContact C-CD 3.45Å; P245-L249 WeakPolarHBondContact O-CB 3.42Å; P245-L249 PolarHBondContact O-N 3.25Å
246R98.4Very high97.5Very high163 Ų16351.1 Ų51.162%0.61528%0.279SS*.Hα-helixtrans-70.2-43.4174.5-66177.1171.379.5-3.1111.3V242 V243 L244 A248 L249 Q250V242-R246 PolarHBondContact O-NH1 3.01Å; V243-R246 WeakPolarHBondContact O-CB 3.13Å; V243-R246 PolarHBondContact O-N 2.87Å; V243-R246 VanDerWaalsContact O-N 3.12Å; L244-R246 VanDerWaalsContact C-N 3.28Å; L244-R246 PolarHBondContact O-N 2.98Å; R246-A248 VanDerWaalsContact C-N 3.35Å; R246-L249 PolarHBondContact O-N 3.3Å; R246-Q250 WeakPolarHBondContact O-CB 3.4Å; R246-Q250 PolarHBondContact O-N 3.08Å
247L98.2Very high97.7Very high14 Ų1452.3 Ų52.37%0.07327%0.273CS..Hα-helixtrans-65-39.2174.6-69.1175.1000111.9R158 I159 L162 V243 L244 Q250 L251R158-L247 HydrophobicContact CB-CD1 3.94Å; R158-L247 HydrophobicContact CB-CD2 4.24Å; I159-L247 HydrophobicContact CD1-CB 4.07Å; I159-L247 HydrophobicContact CG1-CB 3.59Å; I159-L247 HydrophobicContact CG1-CD1 4.13Å; L162-L247 HydrophobicContact CD1-CD1 3.57Å; V243-L247 HydrophobicContact CG1-CD1 3.77Å; V243-L247 HydrophobicContact CG1-CG 4.01Å; V243-L247 PolarHBondContact O-N 3.2Å; V243-L247 VanDerWaalsContact O-N 3.11Å; L244-L247 PolarHBondContact O-N 3.17Å; L247-Q250 PolarHBondContact O-N 3.32Å; L247-L251 WeakPolarHBondContact O-CB 3.37Å; L247-L251 PolarHBondContact O-N 3Å
248A98.3Very high97.7Very high0 Ų054.5 Ų54.50%028%0.28CS..Hα-helixtrans-62.1-46.8175.100000111.1L187 Q188 L244 R246 L251 I252L187-A248 HydrophobicContact CB-CB 4.16Å; Q188-A248 HydrophobicContact CB-CB 4.47Å; L244-A248 WeakPolarHBondContact O-CB 3.47Å; L244-A248 PolarHBondContact O-N 3.08Å; R246-A248 VanDerWaalsContact C-N 3.35Å; A248-L251 PolarHBondContact O-N 3.41Å; A248-I252 WeakPolarHBondContact O-CG1 3.41Å; A248-I252 PolarHBondContact O-N 2.96Å
249L98.1Very high97.8Very high89 Ų8953.7 Ų53.747%0.46628%0.276SS..Hα-helixtrans-60.6-45.7174.5-178.760000111.9P245 R246 L251 I252 T253P245-L249 WeakPolarHBondContact O-CB 3.42Å; P245-L249 PolarHBondContact O-N 3.25Å; R246-L249 PolarHBondContact O-N 3.3Å; L249-L251 VanDerWaalsContact C-N 3.29Å; L249-L251 PolarHBondContact O-N 3.15Å; L249-I252 WeakPolarHBondContact O-CB 3.29Å; L249-I252 PolarHBondContact O-N 3.49Å; L249-I252 VanDerWaalsContact O-N 3.17Å; L249-T253 PolarHBondContact O-N 2.81Å; L249-T253 PolarHBondContact O-OG1 3.46Å
250Q98.1Very high97.9Very high69 Ų6955.1 Ų55.132%0.32227%0.272SS..Hα-helixtrans-56.7-45.1176.3-175.2-177.23.300111.2R246 L247 I252 T253 L254R246-Q250 WeakPolarHBondContact O-CB 3.4Å; R246-Q250 PolarHBondContact O-N 3.08Å; L247-Q250 PolarHBondContact O-N 3.32Å; Q250-I252 PolarHBondContact O-N 3.08Å; Q250-T253 PolarHBondContact O-N 3.46Å; Q250-L254 HydrophobicContact CG-CD1 3.93Å; Q250-L254 HydrophobicContact CG-CG 4.38Å; Q250-L254 WeakPolarHBondContact O-CB 3.26Å; Q250-L254 VanDerWaalsContact O-CG 3.23Å; Q250-L254 WeakPolarHBondContact O-CG 3.31Å; Q250-L254 PolarHBondContact O-N 3.18Å
251L98.3Very high98Very high0 Ų055.5 Ų55.50%027%0.274CS..Hα-helixtrans-65.7-36.5178.4-176.555.2000112.6T152 A155 I159 L184 L247 A248 L249 R255T152-L251 HydrophobicContact CG2-CD1 3.58Å; A155-L251 HydrophobicContact CB-CB 4.36Å; A155-L251 HydrophobicContact CB-CD1 4.39Å; I159-L251 HydrophobicContact CD1-CB 4.39Å; I159-L251 HydrophobicContact CD1-CD2 3.82Å; L184-L251 HydrophobicContact CD1-CB 4.3Å; L184-L251 HydrophobicContact CD1-CD2 4.06Å; L184-L251 HydrophobicContact CD1-CG 3.9Å; L184-L251 HydrophobicContact CD2-CD2 3.74Å; L184-L251 HydrophobicContact CD2-CG 4.4Å; L247-L251 WeakPolarHBondContact O-CB 3.37Å; L247-L251 PolarHBondContact O-N 3Å; A248-L251 PolarHBondContact O-N 3.41Å; L249-L251 VanDerWaalsContact C-N 3.29Å; L249-L251 PolarHBondContact O-N 3.15Å; L251-R255 WeakPolarHBondContact O-CG 3.35Å; L251-R255 PolarHBondContact O-N 3.45Å
252I97.9Very high98.1Very high63 Ų6355.9 Ų55.932%0.32328%0.277SS..Hα-helixtrans-61.5-51.5172.4-68.7166.2000110.1L184 A248 L249 Q250 L254 R255 K256L184-I252 HydrophobicContact CB-CD1 3.89Å; L184-I252 HydrophobicContact CB-CG1 3.83Å; L184-I252 HydrophobicContact CD1-CG1 3.71Å; L184-I252 HydrophobicContact CG-CG1 4.43Å; A248-I252 WeakPolarHBondContact O-CG1 3.41Å; A248-I252 PolarHBondContact O-N 2.96Å; L249-I252 WeakPolarHBondContact O-CB 3.29Å; L249-I252 PolarHBondContact O-N 3.49Å; L249-I252 VanDerWaalsContact O-N 3.17Å; Q250-I252 PolarHBondContact O-N 3.08Å; I252-L254 PolarHBondContact O-N 3.5Å; I252-R255 PolarHBondContact O-N 3.08Å; I252-K256 PolarHBondContact O-N 3.08Å
253T98.3Very high98.1Very high63 Ų6357 Ų5739%0.38728%0.28SS..Hα-helixtrans-61-46.5-178.5-59.40000111.7L249 Q250 R255 K256 Q257L249-T253 PolarHBondContact O-N 2.81Å; L249-T253 PolarHBondContact O-OG1 3.46Å; Q250-T253 PolarHBondContact O-N 3.46Å; T253-R255 VanDerWaalsContact C-N 3.29Å; T253-R255 PolarHBondContact O-N 3.34Å; T253-K256 PolarHBondContact O-N 3.38Å; T253-Q257 WeakPolarHBondContact O-CG 3.45Å; T253-Q257 PolarHBondContact O-N 3.46Å
254L98.4Very high98.1Very high7 Ų757.6 Ų57.64%0.03728%0.278CS..Hα-helixtrans-59.3-40.9178.6-73.4169.6000111.8L148 Q151 A155 Q250 I252 Q257 R258L148-L254 HydrophobicContact CD2-CD2 3.8Å; Q151-L254 HydrophobicContact CB-CD1 3.83Å; Q151-L254 HydrophobicContact CB-CD2 3.86Å; A155-L254 HydrophobicContact CB-CD1 4.22Å; Q250-L254 HydrophobicContact CG-CD1 3.93Å; Q250-L254 HydrophobicContact CG-CG 4.38Å; Q250-L254 WeakPolarHBondContact O-CB 3.26Å; Q250-L254 VanDerWaalsContact O-CG 3.23Å; Q250-L254 WeakPolarHBondContact O-CG 3.31Å; Q250-L254 PolarHBondContact O-N 3.18Å; I252-L254 PolarHBondContact O-N 3.5Å; L254-Q257 PolarHBondContact O-N 2.87Å; L254-R258 WeakPolarHBondContact O-CG 3.18Å; L254-R258 PolarHBondContact O-N 3.49Å
255R97.4Very high98.1Very high44 Ų4458.1 Ų58.117%0.16628%0.282CS..Hα-helixtrans-66.7-44.1176.6-74.7179.4-177.6160.79.8112.5T152 L178 E179 L184 L251 I252 T253 Q257 R258 D259T152-R255 HydrophobicContact CG2-CG 4.34Å; L178-R255 PolarHBondContact O-NH1 2.94Å; L178-R255 PolarHBondContact O-NH2 3.21Å; E179-R255 VanDerWaalsContact C-NH1 3.3Å; E179-R255 VanDerWaalsContact CA-NH1 3.27Å; E179-R255 VanDerWaalsContact CA-NH2 3.34Å; E179-R255 PolarHBondContact O-NH1 3.33Å; L184-R255 VanDerWaalsContact CD1-NH1 3.33Å; L251-R255 WeakPolarHBondContact O-CG 3.35Å; L251-R255 PolarHBondContact O-N 3.45Å; I252-R255 PolarHBondContact O-N 3.08Å; T253-R255 VanDerWaalsContact C-N 3.29Å; T253-R255 PolarHBondContact O-N 3.34Å; R255-Q257 VanDerWaalsContact C-N 3.29Å; R255-Q257 PolarHBondContact O-N 3.23Å; R255-R258 WeakPolarHBondContact O-CB 3.42Å; R255-R258 PolarHBondContact O-N 2.7Å; R255-R258 VanDerWaalsContact O-N 3.07Å; R255-D259 PolarHBondContact O-N 3.27Å
256K97.9Very high98.1Very high128 Ų12860.7 Ų60.756%0.55729%0.291SS*.Hα-helixtrans-56.3-46.7175.6-175.1-176179.2-156.50111.1I252 T253 R258 D259 E260I252-K256 PolarHBondContact O-N 3.08Å; T253-K256 PolarHBondContact O-N 3.38Å; K256-R258 VanDerWaalsContact C-N 3.3Å; K256-R258 PolarHBondContact O-N 3.33Å; K256-D259 PolarHBondContact O-N 3.26Å; K256-D259 VanDerWaalsContact O-N 3.14Å; K256-E260 WeakPolarHBondContact CE-OE1 3.49Å; K256-E260 IonicContact NZ-OE1 2.8Å; K256-E260 WeakPolarHBondContact O-CG 3.46Å; K256-E260 PolarHBondContact O-N 2.9Å
257Q98.5Very high98Very high67 Ų6758.5 Ų58.531%0.31329%0.288SS..Hα-helixtrans-59.6-39.6176.1-72.5176.8-32.500112.1L148 T253 L254 R255 D259 E260 V261L148-Q257 HydrophobicContact CD1-CB 3.88Å; L148-Q257 HydrophobicContact CD2-CB 4.25Å; T253-Q257 WeakPolarHBondContact O-CG 3.45Å; T253-Q257 PolarHBondContact O-N 3.46Å; L254-Q257 PolarHBondContact O-N 2.87Å; R255-Q257 VanDerWaalsContact C-N 3.29Å; R255-Q257 PolarHBondContact O-N 3.23Å; Q257-D259 VanDerWaalsContact C-N 3.34Å; Q257-E260 PolarHBondContact O-N 3.22Å; Q257-V261 WeakPolarHBondContact O-CB 3.42Å; Q257-V261 VanDerWaalsContact O-CG2 3.24Å; Q257-V261 WeakPolarHBondContact O-CG2 3.38Å; Q257-V261 PolarHBondContact O-N 3.03Å
258R98Very high97.8Very high58 Ų5860.4 Ų60.422%0.21929%0.294CS..Hα-helixtrans-65.1-37.6175.7-70.7-170.573-160.40.1112.8D145 L148 L254 R255 K256 A262D145-R258 IonicContact OD1-CZ 3.15Å; D145-R258 IonicContact OD1-NE 2.72Å; D145-R258 PolarHBondContact OD1-NE 3.38Å; D145-R258 IonicContact OD1-NH2 2.71Å; D145-R258 PolarHBondContact OD1-NH2 2.82Å; D145-R258 IonicContact OD2-NH2 2.66Å; D145-R258 PolarHBondContact OD2-NH2 2.91Å; L148-R258 HydrophobicContact CB-CG 3.46Å; L148-R258 VanDerWaalsContact CB-CG 3.46Å; L148-R258 HydrophobicContact CD1-CG 3.86Å; L148-R258 HydrophobicContact CG-CG 4.3Å; L254-R258 WeakPolarHBondContact O-CG 3.18Å; L254-R258 PolarHBondContact O-N 3.49Å; R255-R258 WeakPolarHBondContact O-CB 3.42Å; R255-R258 PolarHBondContact O-N 2.7Å; R255-R258 VanDerWaalsContact O-N 3.07Å; K256-R258 VanDerWaalsContact C-N 3.3Å; K256-R258 PolarHBondContact O-N 3.33Å; R258-A262 VanDerWaalsContact O-CB 3.28Å; R258-A262 WeakPolarHBondContact O-CB 3.46Å; R258-A262 PolarHBondContact O-N 3.04Å
259D97.7Very high97.8Very high106 Ų10660.4 Ų60.457%0.56729%0.294SS*.Hα-helixtrans-67.3-42.1176.4-64.9-26.3000110.7R255 K256 Q257 A262 L263R255-D259 PolarHBondContact O-N 3.27Å; K256-D259 PolarHBondContact O-N 3.26Å; K256-D259 VanDerWaalsContact O-N 3.14Å; Q257-D259 VanDerWaalsContact C-N 3.34Å; D259-A262 WeakPolarHBondContact O-CB 3.46Å; D259-A262 PolarHBondContact O-N 3.49Å; D259-L263 PolarHBondContact O-N 2.73Å
260E98.3Very high97.7Very high91 Ų9160.1 Ų60.143%0.42529%0.293SS..Hα-helixtrans-61.8-49.1174.6-69.7167.5170.400111.8K256 Q257 A262 L263 E264K256-E260 WeakPolarHBondContact CE-OE1 3.49Å; K256-E260 IonicContact NZ-OE1 2.8Å; K256-E260 WeakPolarHBondContact O-CG 3.46Å; K256-E260 PolarHBondContact O-N 2.9Å; Q257-E260 PolarHBondContact O-N 3.22Å; E260-A262 VanDerWaalsContact C-N 3.26Å; E260-A262 PolarHBondContact O-N 2.86Å; E260-L263 WeakPolarHBondContact O-CB 3.4Å; E260-L263 PolarHBondContact O-N 2.83Å; E260-L263 VanDerWaalsContact O-N 3.15Å; E260-E264 PolarHBondContact O-N 3.43Å
261V98Very high97.6Very high14 Ų1460 Ų609%0.08530%0.304CS..Hα-helixtrans-62.5-34.6176.8172.60000111.5L141 F144 D145 L148 Q257 L263 E264 V265L141-V261 HydrophobicContact CB-CG1 4.46Å; F144-V261 HydrophobicContact CD1-CG2 3.58Å; F144-V261 HydrophobicContact CE1-CG2 3.73Å; D145-V261 HydrophobicContact CB-CG1 4.14Å; L148-V261 HydrophobicContact CD1-CG2 4.1Å; Q257-V261 WeakPolarHBondContact O-CB 3.42Å; Q257-V261 VanDerWaalsContact O-CG2 3.24Å; Q257-V261 WeakPolarHBondContact O-CG2 3.38Å; Q257-V261 PolarHBondContact O-N 3.03Å; V261-L263 VanDerWaalsContact C-N 3.29Å; V261-L263 PolarHBondContact O-N 3.43Å; V261-E264 PolarHBondContact O-N 2.92Å; V261-V265 HydrophobicContact CG1-CG2 4.25Å; V261-V265 WeakPolarHBondContact O-CG2 3.21Å; V261-V265 PolarHBondContact O-N 3.23Å
262A97.9Very high97.4Very high26 Ų2660.6 Ų60.622%0.21531%0.307CS..Hα-helixtrans-62.8-36.3176.900000112.3R258 D259 E260 E266R258-A262 VanDerWaalsContact O-CB 3.28Å; R258-A262 WeakPolarHBondContact O-CB 3.46Å; R258-A262 PolarHBondContact O-N 3.04Å; D259-A262 WeakPolarHBondContact O-CB 3.46Å; D259-A262 PolarHBondContact O-N 3.49Å; E260-A262 VanDerWaalsContact C-N 3.26Å; E260-A262 PolarHBondContact O-N 2.86Å; A262-E266 WeakPolarHBondContact O-CB 3.47Å; A262-E266 PolarHBondContact O-N 3.4Å
263L98.2Very high97.1Very high103 Ų10362.2 Ų62.254%0.53932%0.321SS..Hα-helixtrans-67.1-43.5174.6-65172.2000111.5D259 E260 V261 V265 E266 Q267D259-L263 PolarHBondContact O-N 2.73Å; E260-L263 WeakPolarHBondContact O-CB 3.4Å; E260-L263 PolarHBondContact O-N 2.83Å; E260-L263 VanDerWaalsContact O-N 3.15Å; V261-L263 VanDerWaalsContact C-N 3.29Å; V261-L263 PolarHBondContact O-N 3.43Å; L263-V265 VanDerWaalsContact C-N 3.34Å; L263-V265 PolarHBondContact O-N 2.91Å; L263-E266 PolarHBondContact O-N 3.46Å; L263-Q267 WeakPolarHBondContact O-CG 3.26Å; L263-Q267 PolarHBondContact O-N 3.29Å
264E97.8Very high96.9Very high78 Ų7861 Ų6136%0.36431%0.312SS..Hα-helixtrans-62.7-39.4176.9-69.1-63.8152.100112.5L141 E260 V261 R268L141-E264 HydrophobicContact CD1-CB 3.95Å; L141-E264 HydrophobicContact CD2-CB 4.38Å; E260-E264 PolarHBondContact O-N 3.43Å; V261-E264 PolarHBondContact O-N 2.92Å; E264-R268 PolarHBondContact O-N 2.85Å; E264-R268 PolarHBondContact O-NH1 3.35Å; E264-R268 IonicContact OE2-CZ 2.69Å; E264-R268 IonicContact OE2-NH1 2.85Å; E264-R268 PolarHBondContact OE2-NH1 3.41Å; E264-R268 IonicContact OE2-NH2 2.69Å
265V97.8Very high96.8Very high12 Ų1263.4 Ų63.47%0.07332%0.321CS..Hα-helixtrans-65.4-44.5173.2169.50000110.4L138 L141 V261 L263 Q267 R268 V269 A290L138-V265 HydrophobicContact CD2-CG1 4.17Å; L141-V265 HydrophobicContact CB-CG2 3.66Å; L141-V265 HydrophobicContact CD1-CG2 4.27Å; V261-V265 HydrophobicContact CG1-CG2 4.25Å; V261-V265 WeakPolarHBondContact O-CG2 3.21Å; V261-V265 PolarHBondContact O-N 3.23Å; L263-V265 VanDerWaalsContact C-N 3.34Å; L263-V265 PolarHBondContact O-N 2.91Å; V265-Q267 PolarHBondContact O-N 2.91Å; V265-R268 PolarHBondContact O-N 2.91Å; V265-V269 HydrophobicContact CG1-CG2 4.09Å; V265-V269 WeakPolarHBondContact O-CB 3.46Å; V265-V269 VanDerWaalsContact O-CG2 3.26Å; V265-V269 WeakPolarHBondContact O-CG2 3.41Å; V265-V269 PolarHBondContact O-N 2.95Å; V265-A290 HydrophobicContact CG1-CB 3.79Å
266E97.9Very high96.8Very high80 Ų8064.2 Ų64.237%0.37433%0.332SS..Hα-helixtrans-59.6-47.7-179.6178.9165.3-155.100112A262 L263 R268 V269 L270 V286A262-E266 WeakPolarHBondContact O-CB 3.47Å; A262-E266 PolarHBondContact O-N 3.4Å; L263-E266 PolarHBondContact O-N 3.46Å; E266-R268 VanDerWaalsContact C-N 3.33Å; E266-R268 PolarHBondContact O-N 3.43Å; E266-V269 PolarHBondContact O-N 3Å; E266-L270 HydrophobicContact CG-CD1 3.75Å; E266-L270 HydrophobicContact CG-CG 4.16Å; E266-L270 WeakPolarHBondContact O-CB 3.33Å; E266-L270 VanDerWaalsContact O-CG 3.25Å; E266-L270 WeakPolarHBondContact O-CG 3.29Å; E266-L270 PolarHBondContact O-N 2.92Å; E266-V286 HydrophobicContact CB-CG1 3.92Å; E266-V286 HydrophobicContact CG-CG1 4.09Å; E266-V286 HydrophobicContact CG-CG2 4.29Å
267Q97.1Very high96.8Very high116 Ų11658.5 Ų58.554%0.54231%0.308SS..Hα-helixtrans-55.1-47.1178.4-70.9173.211.800112.4L263 V265 L270 A271L263-Q267 WeakPolarHBondContact O-CG 3.26Å; L263-Q267 PolarHBondContact O-N 3.29Å; V265-Q267 PolarHBondContact O-N 2.91Å; Q267-L270 PolarHBondContact O-N 3.01Å; Q267-A271 WeakPolarHBondContact O-CB 3.3Å; Q267-A271 PolarHBondContact O-N 3.23Å; Q267-A271 VanDerWaalsContact O-N 3.08Å
268R95.1Very high96.8Very high55 Ų5555.3 Ų55.321%0.20829%0.293CS..Hα-helixtrans-71-36-179.8-73.8162.3179.478.74.9113.1Q134 E137 L138 E264 V265 E266 H272Q134-R268 HydrophobicContact CG-CB 4.4Å; Q134-R268 PolarHBondContact NE2-O 2.92Å; E137-R268 IonicContact OE2-CZ 3.8Å; E137-R268 IonicContact OE2-NE 3.38Å; E137-R268 PolarHBondContact OE2-NE 3.27Å; E137-R268 IonicContact OE2-NH2 3.2Å; E137-R268 PolarHBondContact OE2-NH2 3.15Å; L138-R268 HydrophobicContact CD1-CB 4.27Å; L138-R268 HydrophobicContact CD2-CB 3.52Å; L138-R268 HydrophobicContact CG-CB 3.75Å; E264-R268 PolarHBondContact O-N 2.85Å; E264-R268 PolarHBondContact O-NH1 3.35Å; E264-R268 IonicContact OE2-CZ 2.69Å; E264-R268 IonicContact OE2-NH1 2.85Å; E264-R268 PolarHBondContact OE2-NH1 3.41Å; E264-R268 IonicContact OE2-NH2 2.69Å; V265-R268 PolarHBondContact O-N 2.91Å; E266-R268 VanDerWaalsContact C-N 3.33Å; E266-R268 PolarHBondContact O-N 3.43Å; R268-H272 PolarHBondContact O-N 3.34Å
269V96.7Very high96.7Very high0 Ų054.5 Ų54.50%030%0.295CS..Hα-helixtrans-64.5-48.1173.9169.40000110.1L138 V265 E266 A271 H272 Y275 V286 A289 A290 L293L138-V269 HydrophobicContact CD1-CG2 4.33Å; L138-V269 HydrophobicContact CD2-CG2 3.87Å; V265-V269 HydrophobicContact CG1-CG2 4.09Å; V265-V269 WeakPolarHBondContact O-CB 3.46Å; V265-V269 VanDerWaalsContact O-CG2 3.26Å; V265-V269 WeakPolarHBondContact O-CG2 3.41Å; V265-V269 PolarHBondContact O-N 2.95Å; E266-V269 PolarHBondContact O-N 3Å; V269-A271 VanDerWaalsContact C-N 3.26Å; V269-A271 PolarHBondContact O-N 3.2Å; V269-H272 WeakPolarHBondContact O-CB 3.33Å; V269-H272 PolarHBondContact O-N 3.46Å; V269-H272 VanDerWaalsContact O-N 3.08Å; V269-Y275 HydrophobicContact CG1-CD2 3.45Å; V269-Y275 VanDerWaalsContact CG1-CD2 3.45Å; V269-Y275 HydrophobicContact CG1-CE2 3.88Å; V269-Y275 HydrophobicContact CG1-CG 4.36Å; V269-Y275 WeakPolarHBondContact O-CB 3.42Å; V269-V286 HydrophobicContact CB-CG1 4.07Å; V269-V286 HydrophobicContact CG1-CG1 4.1Å; V269-V286 HydrophobicContact CG2-CG1 4.25Å; V269-A289 HydrophobicContact CG1-CB 3.9Å; V269-A290 HydrophobicContact CG2-CB 3.66Å; V269-L293 HydrophobicContact CG2-CD1 4.43Å
270L96.6Very high96.7Very high82 Ų8251.3 Ų51.343%0.42928%0.28SS..Hα-helixtrans-60.9-35.7-179.6-71.8174.4000112.4E266 Q267 H272 Y275E266-L270 HydrophobicContact CG-CD1 3.75Å; E266-L270 HydrophobicContact CG-CG 4.16Å; E266-L270 WeakPolarHBondContact O-CB 3.33Å; E266-L270 VanDerWaalsContact O-CG 3.25Å; E266-L270 WeakPolarHBondContact O-CG 3.29Å; E266-L270 PolarHBondContact O-N 2.92Å; Q267-L270 PolarHBondContact O-N 3.01Å; L270-H272 VanDerWaalsContact C-N 3.28Å; L270-H272 PolarHBondContact O-N 3.28Å; L270-Y275 HydrophobicContact CD2-CD1 4.07Å; L270-Y275 HydrophobicContact CD2-CE1 3.36Å; L270-Y275 HydrophobicContact CD2-CE2 3.99Å; L270-Y275 WeakPolarHBondContact CD2-OH 3.5Å
271A95.1Very high96.7Very high68 Ų6847.1 Ų47.156%0.56226%0.261SS*.THydrogen-bonded Turntrans-76.8-9177.800000114Q134 Q267 V269Q134-A271 VanDerWaalsContact NE2-CB 3.33Å; Q134-A271 PolarHBondContact NE2-O 2.71Å; Q267-A271 WeakPolarHBondContact O-CB 3.3Å; Q267-A271 PolarHBondContact O-N 3.23Å; Q267-A271 VanDerWaalsContact O-N 3.08Å; V269-A271 VanDerWaalsContact C-N 3.26Å; V269-A271 PolarHBondContact O-N 3.2Å
272H94.3Very high96.6Very high12 Ų1248.5 Ų48.56%0.05627%0.27CS..SBendtrans-83.2132.7-175.3-170.6-72.1000112.2Q134 R268 V269 L270 L274 Y275 L293Q134-H272 PolarHBondContact OE1-CD2 2.94Å; R268-H272 PolarHBondContact O-N 3.34Å; V269-H272 WeakPolarHBondContact O-CB 3.33Å; V269-H272 PolarHBondContact O-N 3.46Å; V269-H272 VanDerWaalsContact O-N 3.08Å; L270-H272 VanDerWaalsContact C-N 3.28Å; L270-H272 PolarHBondContact O-N 3.28Å; H272-L274 VanDerWaalsContact C-N 3.3Å; H272-L274 PolarHBondContact ND1-N 3.31Å; H272-L274 PolarHBondContact O-N 3.33Å; H272-L274 VanDerWaalsContact O-N 3.14Å; H272-Y275 WeakPolarHBondContact O-CB 3.37Å; H272-Y275 PolarHBondContact O-N 2.89Å; H272-L293 HydrophobicContact CB-CD1 3.9Å; H272-L293 VanDerWaalsContact CE1-CD2 3.41Å; H272-L293 WeakPolarHBondContact CE1-CD2 3.41Å; H272-L293 WeakPolarHBondContact ND1-CD2 3.49Å
273P93.1Very high96.6Very high97 Ų9748.4 Ų48.463%0.6327%0.272SS*.THydrogen-bonded Turntrans-56.8-34.4-176.5-28.535.1000115.7Y275 P276P273-Y275 VanDerWaalsContact C-N 3.28Å; P273-Y275 PolarHBondContact O-N 3.06Å; P273-P276 WeakPolarHBondContact O-CD 3.34Å
274L94.2Very high96.6Very high37 Ų3744 Ų4419%0.19425%0.249CC..THydrogen-bonded Turntrans-74.1-8.8174.9-66.9178000114.7H272 V277 L278 L293 A297 M387H272-L274 VanDerWaalsContact C-N 3.3Å; H272-L274 PolarHBondContact ND1-N 3.31Å; H272-L274 PolarHBondContact O-N 3.33Å; H272-L274 VanDerWaalsContact O-N 3.14Å; L274-V277 WeakPolarHBondContact O-CB 3.3Å; L274-V277 PolarHBondContact O-N 3.07Å; L274-L278 HydrophobicContact CB-CD1 4.4Å; L274-L278 HydrophobicContact CB-CG 4.44Å; L274-L278 WeakPolarHBondContact O-CB 3.34Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.25Å; L274-L278 PolarHBondContact O-N 2.72Å; L274-L293 HydrophobicContact CB-CD2 3.99Å; L274-L293 HydrophobicContact CD1-CD2 4.21Å; L274-A297 HydrophobicContact CD1-CB 4.29Å; L274-M387 HydrophobicContact CD1-CE 4.37Å
275Y96.4Very high96.6Very high57 Ų5742 Ų4222%0.22425%0.25CC..Hα-helixtrans-56.2-52.4-179172.7-109.7000114.7V269 L270 H272 P273 V277 L278 T279 V286V269-Y275 HydrophobicContact CG1-CD2 3.45Å; V269-Y275 VanDerWaalsContact CG1-CD2 3.45Å; V269-Y275 HydrophobicContact CG1-CE2 3.88Å; V269-Y275 HydrophobicContact CG1-CG 4.36Å; V269-Y275 WeakPolarHBondContact O-CB 3.42Å; L270-Y275 HydrophobicContact CD2-CD1 4.07Å; L270-Y275 HydrophobicContact CD2-CE1 3.36Å; L270-Y275 HydrophobicContact CD2-CE2 3.99Å; L270-Y275 WeakPolarHBondContact CD2-OH 3.5Å; H272-Y275 WeakPolarHBondContact O-CB 3.37Å; H272-Y275 PolarHBondContact O-N 2.89Å; P273-Y275 VanDerWaalsContact C-N 3.28Å; P273-Y275 PolarHBondContact O-N 3.06Å; Y275-V277 VanDerWaalsContact C-N 3.26Å; Y275-V277 PolarHBondContact O-N 3.38Å; Y275-L278 PolarHBondContact O-N 2.72Å; Y275-T279 HydrophobicContact CD2-CG2 3.66Å; Y275-T279 HydrophobicContact CE2-CG2 3.19Å; Y275-T279 PolarHBondContact O-N 2.93Å; Y275-T279 PolarHBondContact O-OG1 3.18Å; Y275-V286 HydrophobicContact CE2-CG2 4.37Å
276P97Very high96.5Very high61 Ų6142.9 Ų42.940%0.39626%0.255SS..Hα-helixtrans-61.9-35.1176.923.1-34.8000112.2P273 S280 F392P273-P276 WeakPolarHBondContact O-CD 3.34Å; P276-S280 WeakPolarHBondContact O-CB 3.42Å; P276-S280 PolarHBondContact O-N 3.38Å; P276-S280 VanDerWaalsContact O-N 3.08Å; P276-F392 HydrophobicContact CB-CE1 4.16Å; P276-F392 HydrophobicContact CB-CZ 4.26Å
277V97.6Very high96.4Very high9 Ų946.4 Ų46.46%0.05527%0.265CS..Hα-helixtrans-61.1-55.1174.1176.50000109.7L274 Y275 T279 S280 M386 T391 F392L274-V277 WeakPolarHBondContact O-CB 3.3Å; L274-V277 PolarHBondContact O-N 3.07Å; Y275-V277 VanDerWaalsContact C-N 3.26Å; Y275-V277 PolarHBondContact O-N 3.38Å; V277-T279 PolarHBondContact O-N 3.47Å; V277-S280 PolarHBondContact O-N 3.49Å; V277-S280 PolarHBondContact O-OG 2.95Å; V277-M386 HydrophobicContact CG1-CB 4.02Å; V277-M386 HydrophobicContact CG1-CE 4.18Å; V277-M386 WeakPolarHBondContact O-CE 3.42Å; V277-T391 WeakPolarHBondContact CG1-O 3.28Å; V277-F392 HydrophobicContact CB-CD1 4.47Å; V277-F392 HydrophobicContact CG2-CD1 4.09Å; V277-F392 HydrophobicContact CG2-CE1 4Å
278L97.7Very high96.5Very high0 Ų041.8 Ų41.80%025%0.245CC..Hα-helixtrans-62.7-44.2-176.7-68.6177000112.7L274 Y275 S280 M281 V284 A289 L292 L293 L383 M387L274-L278 HydrophobicContact CB-CD1 4.4Å; L274-L278 HydrophobicContact CB-CG 4.44Å; L274-L278 WeakPolarHBondContact O-CB 3.34Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.25Å; L274-L278 PolarHBondContact O-N 2.72Å; Y275-L278 PolarHBondContact O-N 2.72Å; L278-S280 VanDerWaalsContact C-N 3.32Å; L278-S280 PolarHBondContact O-N 3.35Å; L278-M281 PolarHBondContact O-N 3.47Å; L278-V284 HydrophobicContact CB-CG1 4.14Å; L278-V284 VanDerWaalsContact O-CB 3.28Å; L278-V284 WeakPolarHBondContact O-CB 3.38Å; L278-V284 WeakPolarHBondContact O-CG1 3.35Å; L278-A289 HydrophobicContact CB-CB 4.38Å; L278-A289 HydrophobicContact CD1-CB 4.13Å; L278-L292 HydrophobicContact CD1-CB 4.11Å; L278-L292 HydrophobicContact CD2-CB 4.39Å; L278-L292 HydrophobicContact CD2-CD1 3.99Å; L278-L293 HydrophobicContact CD1-CD2 3.83Å; L278-L293 HydrophobicContact CD1-CG 4.03Å; L278-L383 HydrophobicContact CD2-CD2 4.23Å; L278-M387 HydrophobicContact CD2-CG 3.69Å; L278-M387 HydrophobicContact CD2-SD 3.95Å
279T97.2Very high96.6Very high41 Ų4139.1 Ų39.125%0.25224%0.235SC..Hα-helixtrans-79.4-11.6-176.355.60000114.4Y275 V277 M281 V284Y275-T279 HydrophobicContact CD2-CG2 3.66Å; Y275-T279 HydrophobicContact CE2-CG2 3.19Å; Y275-T279 PolarHBondContact O-N 2.93Å; Y275-T279 PolarHBondContact O-OG1 3.18Å; V277-T279 PolarHBondContact O-N 3.47Å; T279-M281 PolarHBondContact O-N 3.05Å; T279-V284 WeakPolarHBondContact CG2-O 3.45Å
280S97.4Very high96.6Very high38 Ų3839.2 Ų39.227%0.26624%0.235SC..THydrogen-bonded Turntrans-61.3-22.8167.471.90000112.7P276 V277 L278 M386 Y393P276-S280 WeakPolarHBondContact O-CB 3.42Å; P276-S280 PolarHBondContact O-N 3.38Å; P276-S280 VanDerWaalsContact O-N 3.08Å; V277-S280 PolarHBondContact O-N 3.49Å; V277-S280 PolarHBondContact O-OG 2.95Å; L278-S280 VanDerWaalsContact C-N 3.32Å; L278-S280 PolarHBondContact O-N 3.35Å; S280-M386 VanDerWaalsContact OG-CE 3.3Å; S280-M386 WeakPolarHBondContact OG-CE 3.42Å; S280-Y393 PolarHBondContact OG-N 2.96Å
281M97.4Very high96.6Very high3 Ų336.7 Ų36.72%0.01522%0.22CC..SBendtrans-83.9122.1175.9-165.9-174-161.600111.4L278 T279 G283 V284 R379 V382 L383 M386 Y393L278-M281 PolarHBondContact O-N 3.47Å; T279-M281 PolarHBondContact O-N 3.05Å; M281-G283 PolarHBondContact O-N 3.43Å; M281-V284 HydrophobicContact CB-CG2 4.01Å; M281-V284 HydrophobicContact CG-CG2 4.43Å; M281-V284 WeakPolarHBondContact O-CB 3.49Å; M281-V284 PolarHBondContact O-N 2.82Å; M281-V284 VanDerWaalsContact O-N 3.09Å; M281-V284 HydrophobicContact SD-CG2 4.34Å; M281-R379 HydrophobicContact CE-CB 3.7Å; M281-R379 HydrophobicContact CE-CG 3.68Å; M281-R379 PolarHBondContact SD-NH2 3.42Å; M281-V382 HydrophobicContact CE-CB 3.81Å; M281-V382 HydrophobicContact CE-CG1 3.87Å; M281-V382 HydrophobicContact CE-CG2 4.36Å; M281-L383 HydrophobicContact SD-CD1 4.39Å; M281-L383 HydrophobicContact SD-CD2 3.7Å; M281-L383 HydrophobicContact SD-CG 3.72Å; M281-M386 HydrophobicContact CB-CE 4.11Å; M281-M386 HydrophobicContact CB-SD 4.24Å; M281-Y393 HydrophobicContact CB-CD2 4.39Å; M281-Y393 HydrophobicContact CB-CG 4.14Å; M281-Y393 HydrophobicContact CE-CD2 4.38Å; M281-Y393 HydrophobicContact CE-CE2 4.2Å; M281-Y393 HydrophobicContact CG-CD2 3.87Å; M281-Y393 HydrophobicContact CG-CE2 4.29Å; M281-Y393 HydrophobicContact CG-CG 4.03Å
282P97.2Very high96.7Very high44 Ų4433.6 Ų33.629%0.28619%0.194SC..THydrogen-bonded Turntrans-55.6130.8-179.5-27.133.9000112.5D351 R379 Y393P282-D351 HydrophobicContact CB-CB 3.75Å; P282-D351 HydrophobicContact CG-CB 4.18Å; P282-R379 PolarHBondContact O-NH1 3.34Å; P282-R379 PolarHBondContact O-NH2 3.23Å; P282-Y393 VanDerWaalsContact CD-CD1 3.46Å; P282-Y393 HydrophobicContact CG-CD1 4.4Å; P282-Y393 HydrophobicContact CG-CE1 4.13Å
283G97.6Very high96.7Very high24 Ų2433 Ų3325%0.24719%0.192CC..THydrogen-bonded Turntrans87.47.3-177.600000114.8M281 S344M281-G283 PolarHBondContact O-N 3.43Å; G283-S344 VanDerWaalsContact O-CA 3.29Å; G283-S344 WeakPolarHBondContact O-CA 3.28Å; G283-S344 WeakPolarHBondContact O-CB 3.36Å; G283-S344 PolarHBondContact O-OG 3.24Å
284V98.1Very high96.7Very high10 Ų1028.8 Ų28.86%0.06116%0.164CC..  trans-104.8103167.8-177.50000108.6L278 T279 M281 T288 A289 L292 L383L278-V284 HydrophobicContact CB-CG1 4.14Å; L278-V284 VanDerWaalsContact O-CB 3.28Å; L278-V284 WeakPolarHBondContact O-CB 3.38Å; L278-V284 WeakPolarHBondContact O-CG1 3.35Å; T279-V284 WeakPolarHBondContact CG2-O 3.45Å; M281-V284 HydrophobicContact CB-CG2 4.01Å; M281-V284 HydrophobicContact CG-CG2 4.43Å; M281-V284 WeakPolarHBondContact O-CB 3.49Å; M281-V284 PolarHBondContact O-N 2.82Å; M281-V284 VanDerWaalsContact O-N 3.09Å; M281-V284 HydrophobicContact SD-CG2 4.34Å; V284-T288 HydrophobicContact CG1-CG2 4.09Å; V284-T288 HydrophobicContact CG2-CG2 4.47Å; V284-A289 HydrophobicContact CG1-CB 4.33Å; V284-L292 HydrophobicContact CG1-CD1 4.15Å; V284-L383 HydrophobicContact CG2-CD2 4.28Å
285G96.7Very high96.5Very high37 Ų3728.6 Ų28.638%0.38116%0.162SC..  trans-104.9-179.8171.500000111.9R287 T288 A289G285-R287 PolarHBondContact O-N 3.02Å; G285-T288 WeakPolarHBondContact O-CA 3.24Å; G285-T288 WeakPolarHBondContact O-CB 3.41Å; G285-T288 PolarHBondContact O-N 3.4Å; G285-A289 PolarHBondContact O-N 3.43Å
286V97.1Very high96.3Very high30 Ų3026.1 Ų26.118%0.18215%0.153CC..Hα-helixtrans-43.9-53.1-176.4175.10000113.2E266 V269 Y275 T288 A289 A290E266-V286 HydrophobicContact CB-CG1 3.92Å; E266-V286 HydrophobicContact CG-CG1 4.09Å; E266-V286 HydrophobicContact CG-CG2 4.29Å; V269-V286 HydrophobicContact CB-CG1 4.07Å; V269-V286 HydrophobicContact CG1-CG1 4.1Å; V269-V286 HydrophobicContact CG2-CG1 4.25Å; Y275-V286 HydrophobicContact CE2-CG2 4.37Å; V286-T288 VanDerWaalsContact C-N 3.32Å; V286-T288 PolarHBondContact O-N 2.84Å; V286-A289 PolarHBondContact O-N 3.03Å; V286-A290 WeakPolarHBondContact O-CB 3.44Å; V286-A290 PolarHBondContact O-N 2.93Å
287R96Very high95.8Very high153 Ų15324.8 Ų24.858%0.57715%0.147SC*.Hα-helixtrans-63.6-33.5-179.8-67.7-175.2176.5-161-1.9113.9G285 R291G285-R287 PolarHBondContact O-N 3.02Å; R287-R291 PolarHBondContact O-N 3.27Å
288T97.7Very high94.9Very high19 Ų1925.6 Ų25.612%0.11715%0.153CC..Hα-helixtrans-75-42.4176.3-57.20000110.2V284 G285 V286 R291 L292V284-T288 HydrophobicContact CG1-CG2 4.09Å; V284-T288 HydrophobicContact CG2-CG2 4.47Å; G285-T288 WeakPolarHBondContact O-CA 3.24Å; G285-T288 WeakPolarHBondContact O-CB 3.41Å; G285-T288 PolarHBondContact O-N 3.4Å; V286-T288 VanDerWaalsContact C-N 3.32Å; V286-T288 PolarHBondContact O-N 2.84Å; T288-R291 PolarHBondContact O-N 3.43Å; T288-L292 HydrophobicContact CG2-CD1 4.14Å; T288-L292 WeakPolarHBondContact O-CG 3.29Å; T288-L292 PolarHBondContact O-N 3.38Å
289A97.7Very high94.1Very high0 Ų029.9 Ų29.90%017%0.169CC..Hα-helixtrans-58.9-46.4174.800000110.8V269 L278 V284 G285 V286 R291 L292 L293V269-A289 HydrophobicContact CG1-CB 3.9Å; L278-A289 HydrophobicContact CB-CB 4.38Å; L278-A289 HydrophobicContact CD1-CB 4.13Å; V284-A289 HydrophobicContact CG1-CB 4.33Å; G285-A289 PolarHBondContact O-N 3.43Å; V286-A289 PolarHBondContact O-N 3.03Å; A289-R291 VanDerWaalsContact C-N 3.31Å; A289-R291 PolarHBondContact O-N 3.28Å; A289-L292 WeakPolarHBondContact O-CA 3.23Å; A289-L292 WeakPolarHBondContact O-CB 3.42Å; A289-L292 PolarHBondContact O-N 2.72Å; A289-L293 VanDerWaalsContact O-CG 3.31Å; A289-L293 WeakPolarHBondContact O-CG 3.39Å; A289-L293 PolarHBondContact O-N 2.92Å
290A97Very high93.3Very high2 Ų231.2 Ų31.22%0.01718%0.184CC..Hα-helixtrans-50.4-49.6174.600000111.9V265 V269 V286 L292 L293 T294V265-A290 HydrophobicContact CG1-CB 3.79Å; V269-A290 HydrophobicContact CG2-CB 3.66Å; V286-A290 WeakPolarHBondContact O-CB 3.44Å; V286-A290 PolarHBondContact O-N 2.93Å; A290-L292 PolarHBondContact O-N 3.34Å; A290-L293 PolarHBondContact O-N 3.08Å; A290-T294 WeakPolarHBondContact O-CG2 3.35Å; A290-T294 PolarHBondContact O-N 3.1Å; A290-T294 PolarHBondContact O-OG1 2.94Å; A290-T294 VanDerWaalsContact O-OG1 3.1Å
291R96.9Very high92.8Very high29 Ų2931.1 Ų31.111%0.10918%0.179CC..Hα-helixtrans-67.9-31.8177.9-64.1-62.7178.3174-5.9113.3C142 D146 R287 T288 A289 E295 A340C142-R291 PolarHBondContact O-NH2 2.98Å; D146-R291 IonicContact OD1-CZ 3.69Å; D146-R291 IonicContact OD1-NH1 2.99Å; D146-R291 IonicContact OD1-NH2 3.74Å; D146-R291 PolarHBondContact OD1-NH2 3.14Å; D146-R291 IonicContact OD2-CZ 2.76Å; D146-R291 IonicContact OD2-NH1 3.88Å; D146-R291 PolarHBondContact OD2-NH1 3.22Å; D146-R291 IonicContact OD2-NH2 3.75Å; D146-R291 PolarHBondContact OD2-NH2 2.96Å; R287-R291 PolarHBondContact O-N 3.27Å; T288-R291 PolarHBondContact O-N 3.43Å; A289-R291 VanDerWaalsContact C-N 3.31Å; A289-R291 PolarHBondContact O-N 3.28Å; R291-E295 WeakPolarHBondContact O-CA 3.46Å; R291-E295 WeakPolarHBondContact O-CB 3.49Å; R291-E295 WeakPolarHBondContact O-CG 3.45Å; R291-E295 PolarHBondContact O-N 2.81Å; R291-A340 HydrophobicContact CB-CB 3.79Å; R291-A340 HydrophobicContact CG-CB 4.08Å
292L96.4Very high92.3Very high3 Ų335.4 Ų35.42%0.01621%0.214CC..Hα-helixtrans-69.6-40.8173.8-70166.2000111L278 V284 T288 A289 A290 V296 A297 L337 L341 L383L278-L292 HydrophobicContact CD1-CB 4.11Å; L278-L292 HydrophobicContact CD2-CB 4.39Å; L278-L292 HydrophobicContact CD2-CD1 3.99Å; V284-L292 HydrophobicContact CG1-CD1 4.15Å; T288-L292 HydrophobicContact CG2-CD1 4.14Å; T288-L292 WeakPolarHBondContact O-CG 3.29Å; T288-L292 PolarHBondContact O-N 3.38Å; A289-L292 WeakPolarHBondContact O-CA 3.23Å; A289-L292 WeakPolarHBondContact O-CB 3.42Å; A289-L292 PolarHBondContact O-N 2.72Å; A290-L292 PolarHBondContact O-N 3.34Å; L292-V296 HydrophobicContact CD2-CG2 4.22Å; L292-V296 WeakPolarHBondContact O-CA 3.41Å; L292-V296 WeakPolarHBondContact O-CB 3.47Å; L292-V296 PolarHBondContact O-N 3.14Å; L292-A297 PolarHBondContact O-N 3.04Å; L292-L337 HydrophobicContact CD2-CD1 3.97Å; L292-L341 HydrophobicContact CD2-CD2 4.17Å; L292-L383 HydrophobicContact CD1-CD1 4.05Å; L292-L383 HydrophobicContact CD1-CD2 4.02Å; L292-L383 HydrophobicContact CD2-CD1 4.14Å
293L94.3Very high92Very high0 Ų035.2 Ų35.20%021%0.214CC..Iπ-helixtrans-62.1-51.6176.1-65175.1000111.2L138 V269 H272 L274 L278 A289 A290 A297L138-L293 HydrophobicContact CD1-CB 4.38Å; L138-L293 HydrophobicContact CD1-CD1 3.86Å; V269-L293 HydrophobicContact CG2-CD1 4.43Å; H272-L293 HydrophobicContact CB-CD1 3.9Å; H272-L293 VanDerWaalsContact CE1-CD2 3.41Å; H272-L293 WeakPolarHBondContact CE1-CD2 3.41Å; H272-L293 WeakPolarHBondContact ND1-CD2 3.49Å; L274-L293 HydrophobicContact CB-CD2 3.99Å; L274-L293 HydrophobicContact CD1-CD2 4.21Å; L278-L293 HydrophobicContact CD1-CD2 3.83Å; L278-L293 HydrophobicContact CD1-CG 4.03Å; A289-L293 VanDerWaalsContact O-CG 3.31Å; A289-L293 WeakPolarHBondContact O-CG 3.39Å; A289-L293 PolarHBondContact O-N 2.92Å; A290-L293 PolarHBondContact O-N 3.08Å; L293-A297 HydrophobicContact CD2-CB 4.4Å; L293-A297 VanDerWaalsContact O-CB 3.29Å; L293-A297 WeakPolarHBondContact O-CB 3.31Å; L293-A297 PolarHBondContact O-N 2.77Å
294T92.2Very high91.9Very high8 Ų834.7 Ų34.75%0.04921%0.208CC..Iπ-helixtrans-73.7-36.2-176.660.20000113.4L138 S139 A290 R299L138-T294 HydrophobicContact CB-CG2 3.67Å; S139-T294 WeakPolarHBondContact OG-CG2 3.4Å; A290-T294 WeakPolarHBondContact O-CG2 3.35Å; A290-T294 PolarHBondContact O-N 3.1Å; A290-T294 PolarHBondContact O-OG1 2.94Å; A290-T294 VanDerWaalsContact O-OG1 3.1Å; T294-R299 PolarHBondContact O-NH1 3.39Å
295E91.7Very high91.6Very high32 Ų3236.6 Ų36.615%0.1523%0.225CC..Iπ-helixtrans-94-17.3-174.7-51.7-60.8172.200113.8R291 R299 Y310 N334 L337R291-E295 WeakPolarHBondContact O-CA 3.46Å; R291-E295 WeakPolarHBondContact O-CB 3.49Å; R291-E295 WeakPolarHBondContact O-CG 3.45Å; R291-E295 PolarHBondContact O-N 2.81Å; E295-R299 VanDerWaalsContact CA-NH1 3.26Å; E295-R299 WeakPolarHBondContact O-CD 3.4Å; E295-R299 PolarHBondContact O-NH1 3.27Å; E295-Y310 WeakPolarHBondContact O-CE1 3.4Å; E295-N334 VanDerWaalsContact CD-ND2 3.32Å; E295-N334 PolarHBondContact OE2-ND2 3.38Å; E295-L337 HydrophobicContact CB-CB 4.12Å; E295-L337 HydrophobicContact CB-CD1 4.28Å; E295-L337 HydrophobicContact CB-CD2 4.23Å; E295-L337 HydrophobicContact CB-CG 4.44Å; E295-L337 HydrophobicContact CG-CB 4.3Å
296V91.4Very high91.3Very high6 Ų640 Ų404%0.03623%0.231CC..Iπ-helixtrans-127.2-44.7-172.3-174.10000113.5L292 C298 R299 F301 L307 L337 M387L292-V296 HydrophobicContact CD2-CG2 4.22Å; L292-V296 WeakPolarHBondContact O-CA 3.41Å; L292-V296 WeakPolarHBondContact O-CB 3.47Å; L292-V296 PolarHBondContact O-N 3.14Å; V296-C298 VanDerWaalsContact C-N 3.34Å; V296-C298 PolarHBondContact O-N 3.43Å; V296-R299 PolarHBondContact O-N 3.01Å; V296-F301 HydrophobicContact CB-CE2 4.45Å; V296-F301 HydrophobicContact CG1-CD2 4.24Å; V296-F301 HydrophobicContact CG1-CE2 3.74Å; V296-L307 HydrophobicContact CB-CD1 4.43Å; V296-L307 HydrophobicContact CG1-CD1 3.81Å; V296-L307 HydrophobicContact CG1-CD2 4.16Å; V296-L307 HydrophobicContact CG2-CD1 3.77Å; V296-L337 HydrophobicContact CG2-CD1 3.97Å; V296-L337 HydrophobicContact CG2-CD2 3.72Å; V296-M387 HydrophobicContact CB-CE 3.88Å; V296-M387 HydrophobicContact CB-SD 4.27Å; V296-M387 HydrophobicContact CG1-CE 3.71Å; V296-M387 HydrophobicContact CG1-SD 3.84Å
297A86.4Confident91.1Very high33 Ų3338.8 Ų38.827%0.27322%0.223SC..Iπ-helixtrans-59.4-37.9-165.200000114.6I135 L274 L292 L293 R299 M387I135-A297 HydrophobicContact CD1-CB 3.92Å; L274-A297 HydrophobicContact CD1-CB 4.29Å; L292-A297 PolarHBondContact O-N 3.04Å; L293-A297 HydrophobicContact CD2-CB 4.4Å; L293-A297 VanDerWaalsContact O-CB 3.29Å; L293-A297 WeakPolarHBondContact O-CB 3.31Å; L293-A297 PolarHBondContact O-N 2.77Å; A297-R299 VanDerWaalsContact C-N 3.28Å; A297-R299 PolarHBondContact O-N 3.22Å; A297-M387 HydrophobicContact CB-CE 3.97Å
298C79.1Confident91Very high26 Ų2631.5 Ų31.518%0.17620%0.195CC..THydrogen-bonded Turntrans-834.2177.3-66.20000114.5I135 V296I135-C298 WeakPolarHBondContact CD1-SG 3.42Å; V296-C298 VanDerWaalsContact C-N 3.34Å; V296-C298 PolarHBondContact O-N 3.43Å
299R81.1Confident90.7Very high90 Ų9033.1 Ų33.134%0.3421%0.211SC..  trans-114125.8-175.8-65.1-177.6178.183.32.9110.7T294 E295 V296 A297 F301 Y310T294-R299 PolarHBondContact O-NH1 3.39Å; E295-R299 VanDerWaalsContact CA-NH1 3.26Å; E295-R299 WeakPolarHBondContact O-CD 3.4Å; E295-R299 PolarHBondContact O-NH1 3.27Å; V296-R299 PolarHBondContact O-N 3.01Å; A297-R299 VanDerWaalsContact C-N 3.28Å; A297-R299 PolarHBondContact O-N 3.22Å; R299-F301 HydrophobicContact CB-CD2 4.3Å; R299-F301 HydrophobicContact CB-CE2 3.52Å; R299-F301 HydrophobicContact CB-CZ 3.77Å; R299-F301 WeakPolarHBondContact O-CD2 3.36Å; R299-Y310 PolarHBondContact NE-OH 3.28Å
300A80.6Confident90.3Very high68 Ų6835.1 Ų35.156%0.56222%0.219SC*.  trans-78.2123.8170.300000109.8
301F86.6Confident90.2Very high36 Ų3635 Ų3516%0.15822%0.218CC..  trans-113.3127.8170.9-61.3-86000108.8V296 R299 S303 H306 L307 Y310 F384V296-F301 HydrophobicContact CB-CE2 4.45Å; V296-F301 HydrophobicContact CG1-CD2 4.24Å; V296-F301 HydrophobicContact CG1-CE2 3.74Å; R299-F301 HydrophobicContact CB-CD2 4.3Å; R299-F301 HydrophobicContact CB-CE2 3.52Å; R299-F301 HydrophobicContact CB-CZ 3.77Å; R299-F301 WeakPolarHBondContact O-CD2 3.36Å; F301-S303 PolarHBondContact O-N 3.35Å; F301-H306 HydrophobicContact CB-CB 4.38Å; F301-H306 HydrophobicContact CD1-CB 4.32Å; F301-L307 HydrophobicContact CB-CB 4.32Å; F301-L307 HydrophobicContact CD1-CB 4.06Å; F301-L307 HydrophobicContact CD1-CD1 4.38Å; F301-L307 HydrophobicContact CD2-CB 4.26Å; F301-L307 HydrophobicContact CD2-CD1 3.98Å; F301-L307 HydrophobicContact CE1-CB 4.46Å; F301-L307 HydrophobicContact CE1-CD1 4.01Å; F301-L307 HydrophobicContact CE2-CD1 3.6Å; F301-L307 HydrophobicContact CG-CB 3.94Å; F301-L307 HydrophobicContact CG-CD1 4.36Å; F301-L307 HydrophobicContact CZ-CD1 3.6Å; F301-Y310 AromaticContact CE1-CD1 3.79Å; F301-Y310 HydrophobicContact CE1-CD1 3.79Å; F301-Y310 HydrophobicContact CE1-CD2 4.44Å; F301-Y310 AromaticContact CE1-CG 3.69Å; F301-Y310 HydrophobicContact CE1-CG 3.69Å; F301-Y310 AromaticContact CZ-CD1 3.61Å; F301-Y310 HydrophobicContact CZ-CD1 3.61Å; F301-Y310 HydrophobicContact CZ-CE1 4.11Å; F301-Y310 AromaticContact CZ-CG 3.98Å; F301-Y310 HydrophobicContact CZ-CG 3.98Å; F301-F384 HydrophobicContact CB-CD2 4.33Å; F301-F384 HydrophobicContact CB-CE2 3.83Å; F301-F384 WeakPolarHBondContact O-CE2 3.33Å; F301-F384 WeakPolarHBondContact O-CZ 3.39Å
302A86.5Confident89.9Confident93 Ų9333.8 Ų33.877%0.76921%0.214SC*.SBendtrans-62.7-26.2179.600000112.9
303S91.9Very high89.8Confident40 Ų4034 Ų3428%0.2822%0.215SC..SBendtrans-158.3166.817469.30000111.3F301 A305 H306 L307F301-S303 PolarHBondContact O-N 3.35Å; S303-A305 PolarHBondContact O-N 3.1Å; S303-A305 PolarHBondContact OG-N 3.44Å; S303-H306 WeakPolarHBondContact O-CB 3.35Å; S303-H306 PolarHBondContact O-N 3.17Å; S303-H306 PolarHBondContact OG-ND1 2.95Å; S303-L307 PolarHBondContact O-N 3.48Å
304A93.7Very high89.5Confident14 Ų1435 Ų3512%0.11622%0.223CC..Hα-helixtrans-57.5-30.7172.200000113.4H306 L307 A308 D381 F384A304-H306 VanDerWaalsContact C-N 3.32Å; A304-H306 PolarHBondContact O-N 2.6Å; A304-L307 PolarHBondContact O-N 3.34Å; A304-A308 WeakPolarHBondContact O-CB 3.1Å; A304-A308 PolarHBondContact O-N 3.42Å; A304-D381 HydrophobicContact CB-CB 4.13Å; A304-D381 WeakPolarHBondContact CB-OD1 3.35Å; A304-F384 HydrophobicContact CB-CB 3.85Å; A304-F384 HydrophobicContact CB-CD1 3.65Å; A304-F384 HydrophobicContact CB-CE1 4.41Å; A304-F384 HydrophobicContact CB-CG 3.82Å
305A92.1Very high88.9Confident50 Ų5037.7 Ų37.741%0.41324%0.241SC..Hα-helixtrans-63.9-38.1174.800000111.9S303 A308 A309S303-A305 PolarHBondContact O-N 3.1Å; S303-A305 PolarHBondContact OG-N 3.44Å; A305-A308 PolarHBondContact O-N 2.75Å; A305-A309 WeakPolarHBondContact O-CB 3.41Å; A305-A309 PolarHBondContact O-N 3.37Å
306H90.5Very high88.3Confident109 Ų10939 Ų3951%0.50525%0.251SS..Hα-helixtrans-66.7-41.2174.6-68.893.7000111.7F301 S303 A304 A309 Y310F301-H306 HydrophobicContact CB-CB 4.38Å; F301-H306 HydrophobicContact CD1-CB 4.32Å; S303-H306 WeakPolarHBondContact O-CB 3.35Å; S303-H306 PolarHBondContact O-N 3.17Å; S303-H306 PolarHBondContact OG-ND1 2.95Å; A304-H306 VanDerWaalsContact C-N 3.32Å; A304-H306 PolarHBondContact O-N 2.6Å; H306-A309 PolarHBondContact O-N 3.17Å; H306-Y310 WeakPolarHBondContact O-CB 3.4Å; H306-Y310 PolarHBondContact O-N 2.81Å
307L93.5Very high87.5Confident4 Ų442.8 Ų42.82%0.02127%0.274CS..Hα-helixtrans-60.8-46.3173.6175.859.6000111.4V296 F301 S303 A304 A309 Y310 A311 L337 C380 F384V296-L307 HydrophobicContact CB-CD1 4.43Å; V296-L307 HydrophobicContact CG1-CD1 3.81Å; V296-L307 HydrophobicContact CG1-CD2 4.16Å; V296-L307 HydrophobicContact CG2-CD1 3.77Å; F301-L307 HydrophobicContact CB-CB 4.32Å; F301-L307 HydrophobicContact CD1-CB 4.06Å; F301-L307 HydrophobicContact CD1-CD1 4.38Å; F301-L307 HydrophobicContact CD2-CB 4.26Å; F301-L307 HydrophobicContact CD2-CD1 3.98Å; F301-L307 HydrophobicContact CE1-CB 4.46Å; F301-L307 HydrophobicContact CE1-CD1 4.01Å; F301-L307 HydrophobicContact CE2-CD1 3.6Å; F301-L307 HydrophobicContact CG-CB 3.94Å; F301-L307 HydrophobicContact CG-CD1 4.36Å; F301-L307 HydrophobicContact CZ-CD1 3.6Å; S303-L307 PolarHBondContact O-N 3.48Å; A304-L307 PolarHBondContact O-N 3.34Å; L307-A309 VanDerWaalsContact C-N 3.33Å; L307-A309 PolarHBondContact O-N 2.97Å; L307-Y310 HydrophobicContact CD1-CD1 4.41Å; L307-Y310 WeakPolarHBondContact O-CB 3.29Å; L307-Y310 PolarHBondContact O-N 3.14Å; L307-A311 WeakPolarHBondContact O-CB 3.43Å; L307-A311 PolarHBondContact O-N 3.2Å; L307-L337 HydrophobicContact CD1-CD2 4.24Å; L307-C380 VanDerWaalsContact CG-SG 3.57Å; L307-F384 HydrophobicContact CB-CD2 4.46Å; L307-F384 HydrophobicContact CD2-CB 3.92Å; L307-F384 HydrophobicContact CD2-CD2 4.32Å
308A94.2Very high86.5Confident0 Ų047.6 Ų47.60%029%0.285CS..Hα-helixtrans-64.2-36.8178.300000112.8A304 A305 G312 L313 A314 R377A304-A308 WeakPolarHBondContact O-CB 3.1Å; A304-A308 PolarHBondContact O-N 3.42Å; A305-A308 PolarHBondContact O-N 2.75Å; A308-G312 PolarHBondContact O-N 3.24Å; A308-G312 VanDerWaalsContact O-N 3.15Å; A308-L313 HydrophobicContact CB-CB 4.43Å; A308-L313 PolarHBondContact O-N 3.33Å; A308-A314 HydrophobicContact CB-CB 4.44Å; A308-A314 PolarHBondContact O-N 2.98Å; A308-A314 VanDerWaalsContact O-N 3.13Å; A308-R377 VanDerWaalsContact CB-CD 3.45Å; A308-R377 VanDerWaalsContact CB-CZ 3.44Å; A308-R377 VanDerWaalsContact CB-NE 3.34Å
309A90.7Very high85.8Confident53 Ų5355.4 Ų55.444%0.43831%0.311SS..Hα-helixtrans-65.7-43.5173.700000111.3A305 H306 L307 A311 G312 A314A305-A309 WeakPolarHBondContact O-CB 3.41Å; A305-A309 PolarHBondContact O-N 3.37Å; H306-A309 PolarHBondContact O-N 3.17Å; L307-A309 VanDerWaalsContact C-N 3.33Å; L307-A309 PolarHBondContact O-N 2.97Å; A309-A311 PolarHBondContact O-N 3.49Å; A309-G312 PolarHBondContact O-N 3.37Å; A309-A314 HydrophobicContact CB-CB 4.08Å
310Y90.3Very high84.6Confident42 Ų4254.9 Ų54.917%0.16532%0.321CS..Hα-helixtrans-60-44.2174.5172.8-104.3000112.2E295 R299 F301 H306 L307 G312 G333 N334 L337E295-Y310 WeakPolarHBondContact O-CE1 3.4Å; R299-Y310 PolarHBondContact NE-OH 3.28Å; F301-Y310 AromaticContact CE1-CD1 3.79Å; F301-Y310 HydrophobicContact CE1-CD1 3.79Å; F301-Y310 HydrophobicContact CE1-CD2 4.44Å; F301-Y310 AromaticContact CE1-CG 3.69Å; F301-Y310 HydrophobicContact CE1-CG 3.69Å; F301-Y310 AromaticContact CZ-CD1 3.61Å; F301-Y310 HydrophobicContact CZ-CD1 3.61Å; F301-Y310 HydrophobicContact CZ-CE1 4.11Å; F301-Y310 AromaticContact CZ-CG 3.98Å; F301-Y310 HydrophobicContact CZ-CG 3.98Å; H306-Y310 WeakPolarHBondContact O-CB 3.4Å; H306-Y310 PolarHBondContact O-N 2.81Å; L307-Y310 HydrophobicContact CD1-CD1 4.41Å; L307-Y310 WeakPolarHBondContact O-CB 3.29Å; L307-Y310 PolarHBondContact O-N 3.14Å; Y310-G312 PolarHBondContact O-N 2.9Å; Y310-G333 CarbonylContact O-C 3.55Å; Y310-G333 WeakPolarHBondContact O-CA 3.32Å; Y310-N334 HydrophobicContact CD1-CB 4.45Å; Y310-N334 HydrophobicContact CE1-CB 3.93Å; Y310-N334 HydrophobicContact CE2-CB 4.4Å; Y310-N334 PolarHBondContact O-N 3.17Å; Y310-N334 PolarHBondContact OH-ND2 2.92Å; Y310-L337 HydrophobicContact CD1-CD2 3.82Å; Y310-L337 HydrophobicContact CE1-CD2 3.83Å
311A93.4Very high84Confident0 Ų055.2 Ų55.20%033%0.331CS..THydrogen-bonded Turntrans-69.6-8.2174.100000113.7L307 A309 L313 L337 K338 L341L307-A311 WeakPolarHBondContact O-CB 3.43Å; L307-A311 PolarHBondContact O-N 3.2Å; A309-A311 PolarHBondContact O-N 3.49Å; A311-L313 VanDerWaalsContact C-N 3.29Å; A311-L313 HydrophobicContact CB-CD1 4.18Å; A311-L313 HydrophobicContact CB-CG 4.16Å; A311-L313 PolarHBondContact O-N 2.92Å; A311-L337 HydrophobicContact CB-CD2 3.74Å; A311-L337 HydrophobicContact CB-CG 3.9Å; A311-K338 VanDerWaalsContact O-CB 3.23Å; A311-K338 WeakPolarHBondContact O-CB 3.39Å; A311-L341 HydrophobicContact CB-CD1 3.95Å
312G92.3Very high82.9Confident2 Ų259.3 Ų59.32%0.02136%0.364CS..THydrogen-bonded Turntrans69.225.5-175.700000114.1A308 A309 Y310 R332 K338A308-G312 PolarHBondContact O-N 3.24Å; A308-G312 VanDerWaalsContact O-N 3.15Å; A309-G312 PolarHBondContact O-N 3.37Å; Y310-G312 PolarHBondContact O-N 2.9Å; G312-R332 WeakPolarHBondContact CA-O 3.46Å; G312-K338 WeakPolarHBondContact O-CE 3.4Å; G312-K338 PolarHBondContact O-NZ 3.16Å
313L92.8Very high81.4Confident8 Ų859.8 Ų59.84%0.04236%0.362CS..  trans-96.1-22.2175.5-69.5175.7000113.2A308 A311 K338 L341 I373 A376 R377 C380A308-L313 HydrophobicContact CB-CB 4.43Å; A308-L313 PolarHBondContact O-N 3.33Å; A311-L313 VanDerWaalsContact C-N 3.29Å; A311-L313 HydrophobicContact CB-CD1 4.18Å; A311-L313 HydrophobicContact CB-CG 4.16Å; A311-L313 PolarHBondContact O-N 2.92Å; L313-K338 HydrophobicContact CD2-CG 4.26Å; L313-L341 HydrophobicContact CD1-CB 4.02Å; L313-L341 HydrophobicContact CD1-CD1 3.43Å; L313-L341 VanDerWaalsContact CD1-CD1 3.43Å; L313-L341 HydrophobicContact CD1-CG 4.36Å; L313-I373 HydrophobicContact CD2-CD1 3.92Å; L313-I373 HydrophobicContact CD2-CG2 4.27Å; L313-A376 HydrophobicContact CD1-CB 4.13Å; L313-A376 HydrophobicContact CD2-CB 4.01Å; L313-R377 HydrophobicContact CB-CB 4.48Å; L313-C380 HydrophobicContact CD1-CB 4.26Å
314A87.9Confident79.6Confident22 Ų2260.9 Ų60.918%0.18236%0.364CS..SBendtrans-70.5135.6173.500000110.8A308 A309A308-A314 HydrophobicContact CB-CB 4.44Å; A308-A314 PolarHBondContact O-N 2.98Å; A308-A314 VanDerWaalsContact O-N 3.13Å; A309-A314 HydrophobicContact CB-CB 4.08Å
315P81.2Confident77.8Confident64 Ų6471.1 Ų71.142%0.41640%0.4SS..  trans-63.7149.4171.526.6-31.9000110.7E327P315-E327 HydrophobicContact CB-CB 3.94Å; P315-E327 HydrophobicContact CB-CG 4.13Å
316V77.5Confident76.7Confident60 Ų6070 Ų7036%0.36439%0.393SS..EExtended strand (participates in β ladder)trans-106.6118.6173.8-176.60000108.4R318 H328V316-R318 HydrophobicContact CG1-CG 4.42Å; V316-R318 PolarHBondContact O-N 3.29Å; V316-H328 PolarHBondContact N-O 2.82Å; V316-H328 PolarHBondContact O-N 3.11Å
317T76Confident75.9Confident85 Ų8571.5 Ų71.552%0.52140%0.4SS..EExtended strand (participates in β ladder)trans-73.9116.6169.3-55.80000108.7R319T317-R319 HydrophobicContact CG2-CB 4.47Å; T317-R319 HydrophobicContact CG2-CG 3.8Å
318R65.3Low75.2Confident134 Ų13474.6 Ų74.651%0.50641%0.414SS..  trans-105.493.7167.2-67.7-175.6178.7176.2-4.1107.7V316 I324V316-R318 HydrophobicContact CG1-CG 4.42Å; V316-R318 PolarHBondContact O-N 3.29Å; R318-I324 WeakPolarHBondContact O-CG2 3.45Å
319R64.4Low74.3Confident190 Ų19079.6 Ų79.672%0.71745%0.447SS*.  trans-106.9107167.9-76.7-176.7-176.7-146.54.1107.9T317T317-R319 HydrophobicContact CG2-CB 4.47Å; T317-R319 HydrophobicContact CG2-CG 3.8Å
320S55.3Low73.7Confident78 Ų7877.9 Ų77.955%0.54543%0.432SS..  trans-119.7110.7162.3590000107.2
321G67.8Low73.1Confident75 Ų7586.5 Ų86.577%0.77346%0.464SS*.THydrogen-bonded Turntrans64.4-155.2179.200000115
322S62.9Low72.4Confident122 Ų12295.1 Ų95.185%0.85350%0.496SS*.THydrogen-bonded Turntrans-83.7-10.1-171.152.30000115.2
323S56.4Low72.1Confident103 Ų10396.9 Ų96.972%0.7252%0.515SS*.SBendtrans-107-3.4-165.658.50000116.6
324I52.9Low72Confident64 Ų6497.8 Ų97.833%0.32852%0.52SS..  trans-126.995.9177.8-47.5179.3000110.8R318R318-I324 WeakPolarHBondContact O-CG2 3.45Å
325R57.4Low72.2Confident228 Ų228105 Ų10586%0.8655%0.547SS*.  trans-104.478168.3-67.6-176.6-179178.90.6109
326G68.3Low72.7Confident27 Ų27103.3 Ų103.328%0.27854%0.538SS..  trans-151.8141.2-17900000114.4
327E73.5Confident73.6Confident141 Ų141100.5 Ų100.566%0.65952%0.521SS*.EExtended strand (participates in β ladder)trans-85.7128.1163-75.5-177.9-176.900109.3P315P315-E327 HydrophobicContact CB-CB 3.94Å; P315-E327 HydrophobicContact CB-CG 4.13Å
328H77.8Confident74.5Confident68 Ų6899.1 Ų99.132%0.31551%0.508SS..EExtended strand (participates in β ladder)trans-110.7148.6178.6-63.6-85.5000111.4V316 S330V316-H328 PolarHBondContact N-O 2.82Å; V316-H328 PolarHBondContact O-N 3.11Å; H328-S330 PolarHBondContact O-N 3.43Å
329P76.2Confident76Confident106 Ų106101 Ų10169%0.68852%0.515SS*.  trans-57.4132168.8-22.332.5000111R331P329-R331 PolarHBondContact O-N 3.38Å
330S77.3Confident77.6Confident16 Ų1692.4 Ų92.411%0.11249%0.485CS..  trans-63.2123.4170.9-1740000110.2H328 R332 K338H328-S330 PolarHBondContact O-N 3.43Å; S330-R332 VanDerWaalsContact C-N 3.29Å; S330-R332 PolarHBondContact OG-N 3.34Å; S330-R332 VanDerWaalsContact OG-N 3.13Å; S330-R332 PolarHBondContact OG-O 2.88Å; S330-R332 VanDerWaalsContact OG-O 3.09Å; S330-K338 PolarHBondContact O-NZ 2.92Å; S330-K338 VanDerWaalsContact O-NZ 3.11Å
331R78Confident79.6Confident224 Ų22488.9 Ų88.985%0.84546%0.46SS*.SBendtrans-86.6-3.2165.9-65.3-174.6-179.3164.6-0.3112.2P329P329-R331 PolarHBondContact O-N 3.38Å
332R80.2Confident81Confident180 Ų18087.6 Ų87.668%0.67943%0.433SS*.  trans-99.9173176.8-61.7-178.1179.1168.20.5109.8G312 S330G312-R332 WeakPolarHBondContact CA-O 3.46Å; S330-R332 VanDerWaalsContact C-N 3.29Å; S330-R332 PolarHBondContact OG-N 3.34Å; S330-R332 VanDerWaalsContact OG-N 3.13Å; S330-R332 PolarHBondContact OG-O 2.88Å; S330-R332 VanDerWaalsContact OG-O 3.09Å
333G85.2Confident82.7Confident40 Ų4085.7 Ų85.741%0.41241%0.413SS..SBendtrans103.7177.117600000113.4Y310 K335Y310-G333 CarbonylContact O-C 3.55Å; Y310-G333 WeakPolarHBondContact O-CA 3.32Å; G333-K335 PolarHBondContact O-N 3.11Å
334N90.8Very high84.7Confident26 Ų2680.8 Ų80.814%0.13938%0.379CS..  trans-73.3107.7-179.7-174.2-33.6000110.3E295 Y310 A336 L337 K338E295-N334 VanDerWaalsContact CD-ND2 3.32Å; E295-N334 PolarHBondContact OE2-ND2 3.38Å; Y310-N334 HydrophobicContact CD1-CB 4.45Å; Y310-N334 HydrophobicContact CE1-CB 3.93Å; Y310-N334 HydrophobicContact CE2-CB 4.4Å; Y310-N334 PolarHBondContact O-N 3.17Å; Y310-N334 PolarHBondContact OH-ND2 2.92Å; N334-A336 PolarHBondContact OD1-N 2.88Å; N334-L337 HydrophobicContact CB-CB 3.95Å; N334-L337 PolarHBondContact OD1-N 3.39Å; N334-K338 WeakPolarHBondContact O-CB 3.39Å; N334-K338 PolarHBondContact O-N 3.26Å
335K91.7Very high86.8Confident174 Ų17477.8 Ų77.876%0.75736%0.363SS*.Hα-helixtrans-67.7-34.7-176.9-65.1178.2-178.2173.90112.7G333 R339G333-K335 PolarHBondContact O-N 3.11Å; K335-R339 WeakPolarHBondContact O-CB 3.44Å; K335-R339 PolarHBondContact O-N 2.96Å
336A92.8Very high88.8Confident28 Ų2872.1 Ų72.123%0.23135%0.345CS..Hα-helixtrans-66.9-49.5177.900000110.3N334 K338 R339 A340N334-A336 PolarHBondContact OD1-N 2.88Å; A336-K338 PolarHBondContact O-N 2.96Å; A336-R339 PolarHBondContact O-N 3.24Å; A336-A340 PolarHBondContact O-N 3.06Å
337L95.5Very high90.2Very high1 Ų173.2 Ų73.21%0.00535%0.351CS..Hα-helixtrans-61.6-42.2175.9-177.157.5000111.9L292 E295 V296 L307 Y310 A311 N334 R339 A340 L341L292-L337 HydrophobicContact CD2-CD1 3.97Å; E295-L337 HydrophobicContact CB-CB 4.12Å; E295-L337 HydrophobicContact CB-CD1 4.28Å; E295-L337 HydrophobicContact CB-CD2 4.23Å; E295-L337 HydrophobicContact CB-CG 4.44Å; E295-L337 HydrophobicContact CG-CB 4.3Å; V296-L337 HydrophobicContact CG2-CD1 3.97Å; V296-L337 HydrophobicContact CG2-CD2 3.72Å; L307-L337 HydrophobicContact CD1-CD2 4.24Å; Y310-L337 HydrophobicContact CD1-CD2 3.82Å; Y310-L337 HydrophobicContact CE1-CD2 3.83Å; A311-L337 HydrophobicContact CB-CD2 3.74Å; A311-L337 HydrophobicContact CB-CG 3.9Å; N334-L337 HydrophobicContact CB-CB 3.95Å; N334-L337 PolarHBondContact OD1-N 3.39Å; L337-R339 VanDerWaalsContact C-N 3.33Å; L337-R339 PolarHBondContact O-N 2.83Å; L337-A340 PolarHBondContact O-N 3.12Å; L337-L341 HydrophobicContact CD1-CD1 4.01Å; L337-L341 HydrophobicContact CD1-CG 4.07Å; L337-L341 HydrophobicContact CG-CD1 3.99Å; L337-L341 HydrophobicContact CG-CG 4.45Å; L337-L341 WeakPolarHBondContact O-CB 3.4Å; L337-L341 WeakPolarHBondContact O-CG 3.36Å; L337-L341 PolarHBondContact O-N 3.13Å
338K95.8Very high91.3Very high56 Ų5666.5 Ų66.524%0.24332%0.32CS..Hα-helixtrans-56.7-46.5174.9-168.2168.1177.1157.70112.1A311 G312 L313 S330 N334 A336 F342A311-K338 VanDerWaalsContact O-CB 3.23Å; A311-K338 WeakPolarHBondContact O-CB 3.39Å; G312-K338 WeakPolarHBondContact O-CE 3.4Å; G312-K338 PolarHBondContact O-NZ 3.16Å; L313-K338 HydrophobicContact CD2-CG 4.26Å; S330-K338 PolarHBondContact O-NZ 2.92Å; S330-K338 VanDerWaalsContact O-NZ 3.11Å; N334-K338 WeakPolarHBondContact O-CB 3.39Å; N334-K338 PolarHBondContact O-N 3.26Å; A336-K338 PolarHBondContact O-N 2.96Å; K338-F342 WeakPolarHBondContact O-CB 3.18Å; K338-F342 PolarHBondContact O-N 3.13Å
339R95.9Very high92.3Very high174 Ų17464 Ų6466%0.65731%0.309SS*.Hα-helixtrans-64.2-45.8178.6179179174.1840110.9K335 A336 L337 F342 L343K335-R339 WeakPolarHBondContact O-CB 3.44Å; K335-R339 PolarHBondContact O-N 2.96Å; A336-R339 PolarHBondContact O-N 3.24Å; L337-R339 VanDerWaalsContact C-N 3.33Å; L337-R339 PolarHBondContact O-N 2.83Å; R339-F342 PolarHBondContact O-N 2.67Å; R339-L343 HydrophobicContact CG-CD1 4.06Å; R339-L343 WeakPolarHBondContact O-CG 3.42Å; R339-L343 PolarHBondContact O-N 2.97Å
340A97.4Very high93.2Very high9 Ų970.1 Ų70.17%0.07432%0.318CS..Hα-helixtrans-58.8-48.1177.800000111.7R291 A336 L337 F342 L343 S344R291-A340 HydrophobicContact CB-CB 3.79Å; R291-A340 HydrophobicContact CG-CB 4.08Å; A336-A340 PolarHBondContact O-N 3.06Å; L337-A340 PolarHBondContact O-N 3.12Å; A340-F342 PolarHBondContact O-N 3.37Å; A340-L343 PolarHBondContact O-N 3.24Å; A340-S344 WeakPolarHBondContact O-CB 3.48Å; A340-S344 PolarHBondContact O-N 3.02Å
341L97.9Very high94.1Very high4 Ų470.7 Ų70.72%0.02132%0.32CS..Hα-helixtrans-66.6-35.4178.4-68.5174.1000112.8L292 A311 L313 L337 A345 A376 C380 L383L292-L341 HydrophobicContact CD2-CD2 4.17Å; A311-L341 HydrophobicContact CB-CD1 3.95Å; L313-L341 HydrophobicContact CD1-CB 4.02Å; L313-L341 HydrophobicContact CD1-CD1 3.43Å; L313-L341 VanDerWaalsContact CD1-CD1 3.43Å; L313-L341 HydrophobicContact CD1-CG 4.36Å; L337-L341 HydrophobicContact CD1-CD1 4.01Å; L337-L341 HydrophobicContact CD1-CG 4.07Å; L337-L341 HydrophobicContact CG-CD1 3.99Å; L337-L341 HydrophobicContact CG-CG 4.45Å; L337-L341 WeakPolarHBondContact O-CB 3.4Å; L337-L341 WeakPolarHBondContact O-CG 3.36Å; L337-L341 PolarHBondContact O-N 3.13Å; L341-A345 WeakPolarHBondContact O-CB 3.46Å; L341-A345 PolarHBondContact O-N 3.03Å; L341-A376 HydrophobicContact CB-CB 4.32Å; L341-C380 HydrophobicContact CD1-CB 4.48Å; L341-L383 HydrophobicContact CD2-CD1 3.55Å
342F97.6Very high95Very high49 Ų4964.8 Ų64.822%0.21531%0.311CS..Hα-helixtrans-64.4-47.8173.9179.2-89.8000111.9K338 R339 A340 S344 A345 F346 L372 I373K338-F342 WeakPolarHBondContact O-CB 3.18Å; K338-F342 PolarHBondContact O-N 3.13Å; R339-F342 PolarHBondContact O-N 2.67Å; A340-F342 PolarHBondContact O-N 3.37Å; F342-S344 VanDerWaalsContact C-N 3.33Å; F342-A345 PolarHBondContact O-N 3.34Å; F342-F346 PolarHBondContact O-N 2.8Å; F342-L372 HydrophobicContact CD2-CB 4.08Å; F342-L372 HydrophobicContact CE1-CD1 4.13Å; F342-L372 HydrophobicContact CE2-CB 3.61Å; F342-L372 HydrophobicContact CE2-CD1 3.71Å; F342-L372 HydrophobicContact CE2-CG 4.36Å; F342-L372 HydrophobicContact CZ-CB 4.23Å; F342-L372 HydrophobicContact CZ-CD1 3.43Å; F342-L372 VanDerWaalsContact CZ-CD1 3.43Å; F342-I373 HydrophobicContact CD2-CD1 3.73Å; F342-I373 HydrophobicContact CD2-CG1 4.06Å; F342-I373 HydrophobicContact CE2-CD1 4.43Å; F342-I373 HydrophobicContact CE2-CG1 4.32Å
343L98Very high95.7Very high81 Ų8158.9 Ų58.942%0.42429%0.292SS..Hα-helixtrans-65.5-37.5177.4-69.2174000111.6R339 A340 F346 A347R339-L343 HydrophobicContact CG-CD1 4.06Å; R339-L343 WeakPolarHBondContact O-CG 3.42Å; R339-L343 PolarHBondContact O-N 2.97Å; A340-L343 PolarHBondContact O-N 3.24Å; L343-F346 PolarHBondContact O-N 3.18Å; L343-A347 WeakPolarHBondContact O-CB 3.4Å; L343-A347 PolarHBondContact O-N 3.26Å
344S98.2Very high96.2Very high1 Ų157.2 Ų57.21%0.00728%0.275CS..Hα-helixtrans-61-45.2172.7-178.10000111.9G283 A340 F342 F346 A347 A348 R379G283-S344 VanDerWaalsContact O-CA 3.29Å; G283-S344 WeakPolarHBondContact O-CA 3.28Å; G283-S344 WeakPolarHBondContact O-CB 3.36Å; G283-S344 PolarHBondContact O-OG 3.24Å; A340-S344 WeakPolarHBondContact O-CB 3.48Å; A340-S344 PolarHBondContact O-N 3.02Å; F342-S344 VanDerWaalsContact C-N 3.33Å; S344-F346 VanDerWaalsContact C-N 3.31Å; S344-F346 PolarHBondContact O-N 3.4Å; S344-A347 PolarHBondContact O-N 3Å; S344-A348 VanDerWaalsContact O-CB 3.29Å; S344-A348 WeakPolarHBondContact O-CB 3.46Å; S344-A348 PolarHBondContact O-N 2.9Å; S344-R379 PolarHBondContact OG-NH2 2.85Å
345A98.2Very high96.6Very high0 Ų061.5 Ų61.50%029%0.289CS..Hα-helixtrans-63.1-37175.800000112.5L341 F342 A348 L375 A376L341-A345 WeakPolarHBondContact O-CB 3.46Å; L341-A345 PolarHBondContact O-N 3.03Å; F342-A345 PolarHBondContact O-N 3.34Å; A345-A348 PolarHBondContact O-N 3.14Å; A345-L375 HydrophobicContact CB-CB 4.27Å; A345-L375 HydrophobicContact CB-CD2 4.14Å; A345-L375 HydrophobicContact CB-CG 4Å; A345-L375 WeakPolarHBondContact O-CD2 3.42Å; A345-A376 HydrophobicContact CB-CB 3.89Å
346F98.4Very high96.9Very high109 Ų10956.1 Ų56.148%0.47828%0.277SS..Hα-helixtrans-65.9-47.2174.3-177-98.3000112F342 L343 S344 A348 L349 H368 L372F342-F346 PolarHBondContact O-N 2.8Å; L343-F346 PolarHBondContact O-N 3.18Å; S344-F346 VanDerWaalsContact C-N 3.31Å; S344-F346 PolarHBondContact O-N 3.4Å; F346-A348 VanDerWaalsContact C-N 3.26Å; F346-A348 PolarHBondContact O-N 3.22Å; F346-L349 HydrophobicContact CD2-CD1 4.31Å; F346-L349 WeakPolarHBondContact O-CB 3.49Å; F346-L349 WeakPolarHBondContact O-CG 3.37Å; F346-L349 PolarHBondContact O-N 3.22Å; F346-L349 VanDerWaalsContact O-N 3.16Å; F346-H368 AromaticContact CE2-CE1 3.99Å; F346-H368 AromaticContact CE2-NE2 3.87Å; F346-L372 HydrophobicContact CB-CD1 4.37Å; F346-L372 HydrophobicContact CB-CD2 4.23Å; F346-L372 HydrophobicContact CD2-CD1 3.87Å; F346-L372 HydrophobicContact CD2-CD2 4.31Å
347A97.9Very high97.1Very high50 Ų5056.3 Ų56.341%0.41327%0.272SS..Hα-helixtrans-61.5-36176.600000112.1L343 S344 L349 R350L343-A347 WeakPolarHBondContact O-CB 3.4Å; L343-A347 PolarHBondContact O-N 3.26Å; S344-A347 PolarHBondContact O-N 3Å; A347-L349 PolarHBondContact O-N 3.39Å; A347-L349 VanDerWaalsContact O-N 3.14Å; A347-R350 PolarHBondContact O-N 2.96Å
348A97.5Very high97.2Very high1 Ų157.5 Ų57.51%0.00828%0.276CS..G310 helixtrans-66.2-8.7177.700000114.1S344 A345 F346 R350 D351 S354S344-A348 VanDerWaalsContact O-CB 3.29Å; S344-A348 WeakPolarHBondContact O-CB 3.46Å; S344-A348 PolarHBondContact O-N 2.9Å; A345-A348 PolarHBondContact O-N 3.14Å; F346-A348 VanDerWaalsContact C-N 3.26Å; F346-A348 PolarHBondContact O-N 3.22Å; A348-R350 PolarHBondContact O-N 3.46Å; A348-D351 WeakPolarHBondContact O-CB 3.32Å; A348-D351 PolarHBondContact O-N 2.97Å; A348-S354 WeakPolarHBondContact O-CB 3.35Å
349L97.9Very high97.3Very high15 Ų1558.5 Ų58.58%0.07929%0.287CS..G310 helixtrans-64.3-9.4175.9-64.5-176.5000114.1F346 A347 R355 Y358 L372 L375F346-L349 HydrophobicContact CD2-CD1 4.31Å; F346-L349 WeakPolarHBondContact O-CB 3.49Å; F346-L349 WeakPolarHBondContact O-CG 3.37Å; F346-L349 PolarHBondContact O-N 3.22Å; F346-L349 VanDerWaalsContact O-N 3.16Å; A347-L349 PolarHBondContact O-N 3.39Å; A347-L349 VanDerWaalsContact O-N 3.14Å; L349-R355 VanDerWaalsContact O-CZ 3.23Å; L349-R355 PolarHBondContact O-NE 2.97Å; L349-R355 PolarHBondContact O-NH2 2.88Å; L349-R355 VanDerWaalsContact O-NH2 3.08Å; L349-Y358 HydrophobicContact CD1-CD2 4.5Å; L349-Y358 HydrophobicContact CD1-CE2 4.48Å; L349-Y358 HydrophobicContact CD2-CD1 3.99Å; L349-Y358 HydrophobicContact CD2-CD2 3.82Å; L349-Y358 HydrophobicContact CD2-CG 3.5Å; L349-Y358 VanDerWaalsContact CD2-CG 3.5Å; L349-L372 HydrophobicContact CD1-CD2 4.09Å; L349-L372 HydrophobicContact CD2-CD2 4.41Å; L349-L372 HydrophobicContact CG-CD2 4.34Å; L349-L375 HydrophobicContact CD2-CD2 4Å
350R95.6Very high97.4Very high234 Ų23456 Ų5688%0.88328%0.278SS*.G310 helixtrans-77.6-21.5169.3-62.3-176.5-178.3-169.8-0.1112.9A347 A348A347-R350 PolarHBondContact O-N 2.96Å; A348-R350 PolarHBondContact O-N 3.46Å
351D95.8Very high97.4Very high28 Ų2857.8 Ų57.815%0.1528%0.284CS..SBendtrans-81.6129.2175.4162.165.9000110.8P282 A348 L353 S354 R355P282-D351 HydrophobicContact CB-CB 3.75Å; P282-D351 HydrophobicContact CG-CB 4.18Å; A348-D351 WeakPolarHBondContact O-CB 3.32Å; A348-D351 PolarHBondContact O-N 2.97Å; D351-L353 PolarHBondContact O-N 3.42Å; D351-L353 PolarHBondContact OD2-N 3.19Å; D351-S354 PolarHBondContact O-N 3.12Å; D351-S354 VanDerWaalsContact OD2-CB 3.26Å; D351-S354 WeakPolarHBondContact OD2-CB 3.4Å; D351-S354 PolarHBondContact OD2-N 3.38Å; D351-S354 PolarHBondContact OD2-OG 3.42Å; D351-R355 WeakPolarHBondContact O-CB 3.32Å; D351-R355 PolarHBondContact O-N 2.96Å
352P96.2Very high97.4Very high101 Ų10160.8 Ų60.866%0.65630%0.299SS*.Hα-helixtrans-56.8-41.1-176.6-28.335.7000114.8R355 A356P352-R355 PolarHBondContact O-N 3.43Å; P352-A356 WeakPolarHBondContact O-CB 3.46Å; P352-A356 PolarHBondContact O-N 2.69Å
353L95.3Very high97.4Very high55 Ų5563 Ų6329%0.28832%0.32SS..Hα-helixtrans-68.8-42.8-178.4-67.7178000111.8D351 A356 Y357 P395D351-L353 PolarHBondContact O-N 3.42Å; D351-L353 PolarHBondContact OD2-N 3.19Å; L353-A356 PolarHBondContact O-N 3.36Å; L353-Y357 PolarHBondContact O-N 3.42Å; L353-Y357 VanDerWaalsContact O-N 3.08Å; L353-P395 HydrophobicContact CD1-CB 3.58Å
354S96.9Very high97.4Very high6 Ų664.2 Ų64.24%0.04232%0.324CS..Hα-helixtrans-63.9-42.2174.9-630000111.4A348 D351 Y357 Y358A348-S354 WeakPolarHBondContact O-CB 3.35Å; D351-S354 PolarHBondContact O-N 3.12Å; D351-S354 VanDerWaalsContact OD2-CB 3.26Å; D351-S354 WeakPolarHBondContact OD2-CB 3.4Å; D351-S354 PolarHBondContact OD2-N 3.38Å; D351-S354 PolarHBondContact OD2-OG 3.42Å; S354-Y357 PolarHBondContact O-N 3.17Å; S354-Y358 WeakPolarHBondContact O-CB 3.36Å; S354-Y358 PolarHBondContact O-N 3.06Å
355R97.7Very high97.3Very high116 Ų11667.3 Ų67.344%0.43836%0.356SS..Hα-helixtrans-62.6-46.5174.8-179.369.774.8160.710.5111.7L349 D351 P352 Y357 Y358 T359L349-R355 VanDerWaalsContact O-CZ 3.23Å; L349-R355 PolarHBondContact O-NE 2.97Å; L349-R355 PolarHBondContact O-NH2 2.88Å; L349-R355 VanDerWaalsContact O-NH2 3.08Å; D351-R355 WeakPolarHBondContact O-CB 3.32Å; D351-R355 PolarHBondContact O-N 2.96Å; P352-R355 PolarHBondContact O-N 3.43Å; R355-Y357 VanDerWaalsContact C-N 3.34Å; R355-Y357 PolarHBondContact O-N 3.26Å; R355-Y358 WeakPolarHBondContact O-CB 3.45Å; R355-Y358 PolarHBondContact O-N 2.79Å; R355-T359 WeakPolarHBondContact O-CB 3.39Å; R355-T359 PolarHBondContact O-N 2.94Å; R355-T359 PolarHBondContact O-OG1 3.34Å; R355-T359 VanDerWaalsContact O-OG1 3.07Å
356A97.6Very high97.1Very high60 Ų6072 Ų7250%0.49638%0.376SS..Hα-helixtrans-59.6-45.1179.100000111.4P352 L353 T359 R360P352-A356 WeakPolarHBondContact O-CB 3.46Å; P352-A356 PolarHBondContact O-N 2.69Å; L353-A356 PolarHBondContact O-N 3.36Å; A356-T359 PolarHBondContact O-N 2.97Å; A356-R360 WeakPolarHBondContact O-CB 3.29Å; A356-R360 PolarHBondContact O-N 3.44Å
357Y97.2Very high97Very high32 Ų3276.2 Ų76.213%0.12539%0.389CS..Hα-helixtrans-62.5-45.1175.1-176.4-88.9000112.4L353 S354 R355 R360 K361 A374 L375L353-Y357 PolarHBondContact O-N 3.42Å; L353-Y357 VanDerWaalsContact O-N 3.08Å; S354-Y357 PolarHBondContact O-N 3.17Å; R355-Y357 VanDerWaalsContact C-N 3.34Å; R355-Y357 PolarHBondContact O-N 3.26Å; Y357-R360 PolarHBondContact O-N 2.89Å; Y357-K361 HydrophobicContact CD1-CG 4.16Å; Y357-K361 HydrophobicContact CE1-CG 3.72Å; Y357-K361 WeakPolarHBondContact O-CG 3.44Å; Y357-K361 PolarHBondContact O-N 2.91Å; Y357-K361 VanDerWaalsContact OH-CE 3.23Å; Y357-K361 WeakPolarHBondContact OH-CE 3.42Å; Y357-A374 HydrophobicContact CE1-CB 4.25Å; Y357-A374 PolarHBondContact OH-O 2.76Å; Y357-L375 HydrophobicContact CD1-CB 4.07Å; Y357-L375 HydrophobicContact CD1-CD1 3.81Å; Y357-L375 HydrophobicContact CE1-CB 4.26Å; Y357-L375 HydrophobicContact CG-CD1 4.38Å
358Y98.1Very high96.9Very high27 Ų2777.2 Ų77.211%0.10639%0.385CS..Hα-helixtrans-58.7-50176.6166.8-90.9000111.5L349 S354 R355 R360 K361 M362 H368 A371 L372L349-Y358 HydrophobicContact CD1-CD2 4.5Å; L349-Y358 HydrophobicContact CD1-CE2 4.48Å; L349-Y358 HydrophobicContact CD2-CD1 3.99Å; L349-Y358 HydrophobicContact CD2-CD2 3.82Å; L349-Y358 HydrophobicContact CD2-CG 3.5Å; L349-Y358 VanDerWaalsContact CD2-CG 3.5Å; S354-Y358 WeakPolarHBondContact O-CB 3.36Å; S354-Y358 PolarHBondContact O-N 3.06Å; R355-Y358 WeakPolarHBondContact O-CB 3.45Å; R355-Y358 PolarHBondContact O-N 2.79Å; Y358-R360 VanDerWaalsContact C-N 3.32Å; Y358-R360 PolarHBondContact O-N 3.41Å; Y358-K361 PolarHBondContact O-N 3.24Å; Y358-M362 HydrophobicContact CD1-CG 4.22Å; Y358-M362 HydrophobicContact CE1-CG 3.7Å; Y358-M362 HydrophobicContact CE2-CG 4.08Å; Y358-M362 HydrophobicContact CE2-SD 4.21Å; Y358-M362 WeakPolarHBondContact O-CG 3.45Å; Y358-M362 PolarHBondContact O-N 3.12Å; Y358-H368 AromaticContact CE2-ND1 3.66Å; Y358-H368 AromaticContact CZ-ND1 3.62Å; Y358-H368 PolarHBondContact OH-ND1 3.37Å; Y358-A371 HydrophobicContact CD2-CB 3.67Å; Y358-A371 HydrophobicContact CE2-CB 3.69Å; Y358-L372 HydrophobicContact CD2-CD2 4.18Å; Y358-L372 HydrophobicContact CD2-CG 4.5Å; Y358-L372 HydrophobicContact CE2-CD2 4.27Å; Y358-L372 HydrophobicContact CE2-CG 4.26Å
359T98.2Very high96.8Very high77 Ų7781.9 Ų81.947%0.47241%0.409SS..Hα-helixtrans-60.9-41.6179.1-61.40000111.1R355 A356 K361 M362 S363R355-T359 WeakPolarHBondContact O-CB 3.39Å; R355-T359 PolarHBondContact O-N 2.94Å; R355-T359 PolarHBondContact O-OG1 3.34Å; R355-T359 VanDerWaalsContact O-OG1 3.07Å; A356-T359 PolarHBondContact O-N 2.97Å; T359-K361 VanDerWaalsContact C-N 3.31Å; T359-K361 PolarHBondContact O-N 3.34Å; T359-M362 WeakPolarHBondContact O-CB 3.45Å; T359-M362 PolarHBondContact O-N 3.46Å; T359-S363 PolarHBondContact O-N 2.92Å
360R98.3Very high96.7Very high122 Ų12285.8 Ų85.846%0.4643%0.427SS..Hα-helixtrans-60.8-37.5173.6-175.9177.567.2-174.15.8112.6A356 Y357 Y358 S363 Q364A356-R360 WeakPolarHBondContact O-CB 3.29Å; A356-R360 PolarHBondContact O-N 3.44Å; Y357-R360 PolarHBondContact O-N 2.89Å; Y358-R360 VanDerWaalsContact C-N 3.32Å; Y358-R360 PolarHBondContact O-N 3.41Å; R360-S363 PolarHBondContact O-OG 3.09Å; R360-Q364 VanDerWaalsContact O-CG 3.26Å; R360-Q364 WeakPolarHBondContact O-CG 3.32Å; R360-Q364 PolarHBondContact O-N 3.42Å
361K97.7Very high96.7Very high45 Ų4574.6 Ų74.620%0.19639%0.385CS..Hα-helixtrans-71.2-36.6175.1-69.3-59.8177.1-170.10112.2Y357 Y358 T359 Q364 K366 A371 A374Y357-K361 HydrophobicContact CD1-CG 4.16Å; Y357-K361 HydrophobicContact CE1-CG 3.72Å; Y357-K361 WeakPolarHBondContact O-CG 3.44Å; Y357-K361 PolarHBondContact O-N 2.91Å; Y357-K361 VanDerWaalsContact OH-CE 3.23Å; Y357-K361 WeakPolarHBondContact OH-CE 3.42Å; Y358-K361 PolarHBondContact O-N 3.24Å; T359-K361 VanDerWaalsContact C-N 3.31Å; T359-K361 PolarHBondContact O-N 3.34Å; K361-Q364 PolarHBondContact O-N 3.36Å; K361-K366 WeakPolarHBondContact O-CB 3.47Å; K361-K366 VanDerWaalsContact O-CG 3.31Å; K361-K366 WeakPolarHBondContact O-CG 3.27Å; K361-K366 PolarHBondContact O-N 3.29Å; K361-A371 HydrophobicContact CB-CB 3.89Å; K361-A374 HydrophobicContact CD-CB 4.42Å; K361-A374 HydrophobicContact CG-CB 4.17Å
362M97.9Very high96.8Very high68 Ų6873.3 Ų73.334%0.33538%0.378SS..Hα-helixtrans-62.6-42.8172.6-69-67.7-61.200111.8Y358 T359 Q364 G365 A371Y358-M362 HydrophobicContact CD1-CG 4.22Å; Y358-M362 HydrophobicContact CE1-CG 3.7Å; Y358-M362 HydrophobicContact CE2-CG 4.08Å; Y358-M362 HydrophobicContact CE2-SD 4.21Å; Y358-M362 WeakPolarHBondContact O-CG 3.45Å; Y358-M362 PolarHBondContact O-N 3.12Å; T359-M362 WeakPolarHBondContact O-CB 3.45Å; T359-M362 PolarHBondContact O-N 3.46Å; M362-Q364 PolarHBondContact O-N 3.28Å; M362-G365 PolarHBondContact O-N 2.9Å; M362-A371 HydrophobicContact CG-CB 4.01Å; M362-A371 HydrophobicContact SD-CB 3.83Å
363S97.8Very high96.8Very high96 Ų9670.9 Ų70.967%0.67136%0.359SS*.Hα-helixtrans-67-22.6177.569.50000113.5T359 R360 G365T359-S363 PolarHBondContact O-N 2.92Å; R360-S363 PolarHBondContact O-OG 3.09Å; S363-G365 PolarHBondContact O-N 3.46Å
364Q97.2Very high96.8Very high106 Ų10669.5 Ų69.550%0.49536%0.356SS..THydrogen-bonded Turntrans-78.714.9169.9-67.9171.7-0.700113.3R360 K361 M362 K366R360-Q364 VanDerWaalsContact O-CG 3.26Å; R360-Q364 WeakPolarHBondContact O-CG 3.32Å; R360-Q364 PolarHBondContact O-N 3.42Å; K361-Q364 PolarHBondContact O-N 3.36Å; M362-Q364 PolarHBondContact O-N 3.28Å; Q364-K366 VanDerWaalsContact C-N 3.35Å; Q364-K366 PolarHBondContact O-N 3.46Å
365G95.9Very high96.8Very high66 Ų6669.3 Ų69.368%0.6835%0.354SS*.THydrogen-bonded Turntrans78.69.8177.500000115.2M362 S363M362-G365 PolarHBondContact O-N 2.9Å; S363-G365 PolarHBondContact O-N 3.46Å
366K94.4Very high96.8Very high97 Ų9763.8 Ų63.842%0.42233%0.333SS..  trans-75.4139.6175.6-58.6-65.6-178.4-177.30110.2K361 Q364 Q370 A371K361-K366 WeakPolarHBondContact O-CB 3.47Å; K361-K366 VanDerWaalsContact O-CG 3.31Å; K361-K366 WeakPolarHBondContact O-CG 3.27Å; K361-K366 PolarHBondContact O-N 3.29Å; Q364-K366 VanDerWaalsContact C-N 3.35Å; Q364-K366 PolarHBondContact O-N 3.46Å; K366-Q370 HydrophobicContact CB-CB 3.97Å; K366-Q370 HydrophobicContact CD-CB 4.28Å; K366-A371 HydrophobicContact CB-CB 4.46Å
367R95.9Very high96.7Very high199 Ų19963.6 Ų63.675%0.75132%0.32SS*.  trans-69159.5169.6-62.1-178.1179.4-177.5-0.8110.6N369 Q370 A371R367-N369 PolarHBondContact O-N 3.47Å; R367-Q370 HydrophobicContact CB-CG 4.44Å; R367-Q370 WeakPolarHBondContact O-CA 3.31Å; R367-Q370 WeakPolarHBondContact O-CB 3.46Å; R367-Q370 PolarHBondContact O-N 3.27Å; R367-A371 PolarHBondContact O-N 2.98Å
368H96.6Very high96.6Very high71 Ų7166.7 Ų66.733%0.32933%0.331SS..Hα-helixtrans-42.4-55.6179177.462.8000113.8F346 Y358 Q370 A371 L372F346-H368 AromaticContact CE2-CE1 3.99Å; F346-H368 AromaticContact CE2-NE2 3.87Å; Y358-H368 AromaticContact CE2-ND1 3.66Å; Y358-H368 AromaticContact CZ-ND1 3.62Å; Y358-H368 PolarHBondContact OH-ND1 3.37Å; H368-Q370 VanDerWaalsContact C-N 3.31Å; H368-Q370 PolarHBondContact O-N 2.89Å; H368-A371 PolarHBondContact O-N 2.9Å; H368-L372 WeakPolarHBondContact NE2-CD1 3.46Å; H368-L372 WeakPolarHBondContact O-CG 3.17Å; H368-L372 PolarHBondContact O-N 3.17Å
369N95.3Very high96.5Very high98 Ų9865.7 Ų65.752%0.52433%0.327SS..Hα-helixtrans-65.3-32.3-179.4-69.4-9.2000113.1R367 I373R367-N369 PolarHBondContact O-N 3.47Å; N369-I373 VanDerWaalsContact O-CG1 3.25Å; N369-I373 WeakPolarHBondContact O-CG1 3.4Å; N369-I373 PolarHBondContact O-N 3.11Å
370Q94.4Very high96.4Very high97 Ų9762.1 Ų62.145%0.45331%0.305SS..Hα-helixtrans-70.8-40.6176.5-66.3174-40.800111K366 R367 H368 I373 A374K366-Q370 HydrophobicContact CB-CB 3.97Å; K366-Q370 HydrophobicContact CD-CB 4.28Å; R367-Q370 HydrophobicContact CB-CG 4.44Å; R367-Q370 WeakPolarHBondContact O-CA 3.31Å; R367-Q370 WeakPolarHBondContact O-CB 3.46Å; R367-Q370 PolarHBondContact O-N 3.27Å; H368-Q370 VanDerWaalsContact C-N 3.31Å; H368-Q370 PolarHBondContact O-N 2.89Å; Q370-I373 PolarHBondContact O-N 2.9Å; Q370-A374 WeakPolarHBondContact O-CB 3.48Å; Q370-A374 PolarHBondContact O-N 3.34Å
371A97Very high96.3Very high0 Ų059 Ų590%030%0.298CS..Hα-helixtrans-64.3-41.2175.200000111.6Y358 K361 M362 K366 R367 H368 A374 L375Y358-A371 HydrophobicContact CD2-CB 3.67Å; Y358-A371 HydrophobicContact CE2-CB 3.69Å; K361-A371 HydrophobicContact CB-CB 3.89Å; M362-A371 HydrophobicContact CG-CB 4.01Å; M362-A371 HydrophobicContact SD-CB 3.83Å; K366-A371 HydrophobicContact CB-CB 4.46Å; R367-A371 PolarHBondContact O-N 2.98Å; H368-A371 PolarHBondContact O-N 2.9Å; A371-A374 PolarHBondContact O-N 2.84Å; A371-L375 WeakPolarHBondContact O-CB 3.45Å; A371-L375 PolarHBondContact O-N 2.97Å
372L97.3Very high96.2Very high0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-63.9-42.9174.1-73.4177.2000113.1F342 F346 L349 Y358 H368 A374 L375 A376F342-L372 HydrophobicContact CD2-CB 4.08Å; F342-L372 HydrophobicContact CE1-CD1 4.13Å; F342-L372 HydrophobicContact CE2-CB 3.61Å; F342-L372 HydrophobicContact CE2-CD1 3.71Å; F342-L372 HydrophobicContact CE2-CG 4.36Å; F342-L372 HydrophobicContact CZ-CB 4.23Å; F342-L372 HydrophobicContact CZ-CD1 3.43Å; F342-L372 VanDerWaalsContact CZ-CD1 3.43Å; F346-L372 HydrophobicContact CB-CD1 4.37Å; F346-L372 HydrophobicContact CB-CD2 4.23Å; F346-L372 HydrophobicContact CD2-CD1 3.87Å; F346-L372 HydrophobicContact CD2-CD2 4.31Å; L349-L372 HydrophobicContact CD1-CD2 4.09Å; L349-L372 HydrophobicContact CD2-CD2 4.41Å; L349-L372 HydrophobicContact CG-CD2 4.34Å; Y358-L372 HydrophobicContact CD2-CD2 4.18Å; Y358-L372 HydrophobicContact CD2-CG 4.5Å; Y358-L372 HydrophobicContact CE2-CD2 4.27Å; Y358-L372 HydrophobicContact CE2-CG 4.26Å; H368-L372 WeakPolarHBondContact NE2-CD1 3.46Å; H368-L372 WeakPolarHBondContact O-CG 3.17Å; H368-L372 PolarHBondContact O-N 3.17Å; L372-A374 VanDerWaalsContact C-N 3.33Å; L372-A374 PolarHBondContact O-N 3.44Å; L372-L375 PolarHBondContact O-N 3.21Å; L372-A376 WeakPolarHBondContact O-CB 3.41Å; L372-A376 PolarHBondContact O-N 3.22Å
373I95.4Very high96.1Very high51 Ų5155.9 Ų55.926%0.26229%0.286SS..Hα-helixtrans-64.2-40.2176.1-71.1-71.8000110.9L313 F342 N369 Q370 L375 A376 R377L313-I373 HydrophobicContact CD2-CD1 3.92Å; L313-I373 HydrophobicContact CD2-CG2 4.27Å; F342-I373 HydrophobicContact CD2-CD1 3.73Å; F342-I373 HydrophobicContact CD2-CG1 4.06Å; F342-I373 HydrophobicContact CE2-CD1 4.43Å; F342-I373 HydrophobicContact CE2-CG1 4.32Å; N369-I373 VanDerWaalsContact O-CG1 3.25Å; N369-I373 WeakPolarHBondContact O-CG1 3.4Å; N369-I373 PolarHBondContact O-N 3.11Å; Q370-I373 PolarHBondContact O-N 2.9Å; I373-L375 VanDerWaalsContact C-N 3.3Å; I373-L375 PolarHBondContact O-N 2.79Å; I373-A376 PolarHBondContact O-N 3.28Å; I373-R377 WeakPolarHBondContact O-CB 3.28Å; I373-R377 PolarHBondContact O-N 2.84Å
374A95.3Very high96.1Very high26 Ų2652.7 Ų52.722%0.21526%0.26CS..Hα-helixtrans-63.6-37.2174.500000112.1Y357 K361 Q370 A371 L372 R378Y357-A374 HydrophobicContact CE1-CB 4.25Å; Y357-A374 PolarHBondContact OH-O 2.76Å; K361-A374 HydrophobicContact CD-CB 4.42Å; K361-A374 HydrophobicContact CG-CB 4.17Å; Q370-A374 WeakPolarHBondContact O-CB 3.48Å; Q370-A374 PolarHBondContact O-N 3.34Å; A371-A374 PolarHBondContact O-N 2.84Å; L372-A374 VanDerWaalsContact C-N 3.33Å; L372-A374 PolarHBondContact O-N 3.44Å; A374-R378 PolarHBondContact O-N 3.25Å
375L97.2Very high96Very high2 Ų249.2 Ų49.21%0.0125%0.25CC..Hα-helixtrans-68-46174.4177.958.3000111A345 L349 Y357 A371 L372 I373 R377 R378 R379A345-L375 HydrophobicContact CB-CB 4.27Å; A345-L375 HydrophobicContact CB-CD2 4.14Å; A345-L375 HydrophobicContact CB-CG 4Å; A345-L375 WeakPolarHBondContact O-CD2 3.42Å; L349-L375 HydrophobicContact CD2-CD2 4Å; Y357-L375 HydrophobicContact CD1-CB 4.07Å; Y357-L375 HydrophobicContact CD1-CD1 3.81Å; Y357-L375 HydrophobicContact CE1-CB 4.26Å; Y357-L375 HydrophobicContact CG-CD1 4.38Å; A371-L375 WeakPolarHBondContact O-CB 3.45Å; A371-L375 PolarHBondContact O-N 2.97Å; L372-L375 PolarHBondContact O-N 3.21Å; I373-L375 VanDerWaalsContact C-N 3.3Å; I373-L375 PolarHBondContact O-N 2.79Å; L375-R377 VanDerWaalsContact C-N 3.28Å; L375-R377 PolarHBondContact O-N 3.25Å; L375-R378 PolarHBondContact O-N 3.49Å; L375-R379 HydrophobicContact CD1-CG 4.04Å; L375-R379 HydrophobicContact CG-CG 4.37Å; L375-R379 WeakPolarHBondContact O-CB 3.29Å; L375-R379 VanDerWaalsContact O-CG 3.27Å; L375-R379 WeakPolarHBondContact O-CG 3.45Å; L375-R379 PolarHBondContact O-N 3.15Å
376A97.4Very high96Very high0 Ų046.3 Ų46.30%022%0.219CC..Hα-helixtrans-57.2-41.3174.900000111.7L313 L341 A345 L372 I373 R379 C380L313-A376 HydrophobicContact CD1-CB 4.13Å; L313-A376 HydrophobicContact CD2-CB 4.01Å; L341-A376 HydrophobicContact CB-CB 4.32Å; A345-A376 HydrophobicContact CB-CB 3.89Å; L372-A376 WeakPolarHBondContact O-CB 3.41Å; L372-A376 PolarHBondContact O-N 3.22Å; I373-A376 PolarHBondContact O-N 3.28Å; A376-R379 PolarHBondContact O-N 3.14Å; A376-C380 VanDerWaalsContact O-CB 3.31Å; A376-C380 WeakPolarHBondContact O-CB 3.43Å; A376-C380 PolarHBondContact O-N 3.47Å
377R96Very high96Very high55 Ų5543.2 Ų43.221%0.20821%0.206CC..Hα-helixtrans-60.2-47.7174.8175.466.3-166.287.10.2111.9A308 L313 I373 L375 C380 D381A308-R377 VanDerWaalsContact CB-CD 3.45Å; A308-R377 VanDerWaalsContact CB-CZ 3.44Å; A308-R377 VanDerWaalsContact CB-NE 3.34Å; L313-R377 HydrophobicContact CB-CB 4.48Å; I373-R377 WeakPolarHBondContact O-CB 3.28Å; I373-R377 PolarHBondContact O-N 2.84Å; L375-R377 VanDerWaalsContact C-N 3.28Å; L375-R377 PolarHBondContact O-N 3.25Å; R377-C380 WeakPolarHBondContact O-CB 3.47Å; R377-C380 PolarHBondContact O-N 2.93Å; R377-D381 IonicContact CZ-OD1 3.26Å; R377-D381 IonicContact CZ-OD2 2.82Å; R377-D381 IonicContact NH1-OD1 2.71Å; R377-D381 PolarHBondContact NH1-OD1 2.91Å; R377-D381 IonicContact NH1-OD2 3.69Å; R377-D381 PolarHBondContact NH1-OD2 2.93Å; R377-D381 IonicContact NH2-OD1 3.84Å; R377-D381 PolarHBondContact NH2-OD1 3.49Å; R377-D381 VanDerWaalsContact NH2-OD1 3.15Å; R377-D381 IonicContact NH2-OD2 3.42Å
378R95.4Very high95.8Very high97 Ų9741.4 Ų41.437%0.36620%0.199SC..Hα-helixtrans-62.6-44.1177-179.6-179.1-178.2-161.92.8111.3A374 L375 C380 D381A374-R378 PolarHBondContact O-N 3.25Å; L375-R378 PolarHBondContact O-N 3.49Å; R378-C380 VanDerWaalsContact C-N 3.26Å; R378-C380 PolarHBondContact O-N 3.31Å; R378-D381 WeakPolarHBondContact O-CB 3.38Å; R378-D381 PolarHBondContact O-N 3.09Å; R378-D381 VanDerWaalsContact O-N 3.13Å
379R96.1Very high95.6Very high7 Ų742 Ų423%0.02621%0.205CC..Hα-helixtrans-65.1-31.9179.6-69.5175.659.585.94.8112.3M281 P282 S344 L375 A376 D381 V382 L383M281-R379 HydrophobicContact CE-CB 3.7Å; M281-R379 HydrophobicContact CE-CG 3.68Å; M281-R379 PolarHBondContact SD-NH2 3.42Å; P282-R379 PolarHBondContact O-NH1 3.34Å; P282-R379 PolarHBondContact O-NH2 3.23Å; S344-R379 PolarHBondContact OG-NH2 2.85Å; L375-R379 HydrophobicContact CD1-CG 4.04Å; L375-R379 HydrophobicContact CG-CG 4.37Å; L375-R379 WeakPolarHBondContact O-CB 3.29Å; L375-R379 VanDerWaalsContact O-CG 3.27Å; L375-R379 WeakPolarHBondContact O-CG 3.45Å; L375-R379 PolarHBondContact O-N 3.15Å; A376-R379 PolarHBondContact O-N 3.14Å; R379-D381 VanDerWaalsContact C-N 3.27Å; R379-D381 PolarHBondContact O-N 3.13Å; R379-V382 PolarHBondContact O-N 3.28Å; R379-L383 WeakPolarHBondContact O-CG 3.44Å; R379-L383 PolarHBondContact O-N 3.41Å
380C96.3Very high95.6Very high1 Ų139.3 Ų39.31%0.00720%0.2CC..Hα-helixtrans-60.7-34.1173.4-174.60000112.5L307 L313 L341 A376 R377 R378 F384L307-C380 VanDerWaalsContact CG-SG 3.57Å; L313-C380 HydrophobicContact CD1-CB 4.26Å; L341-C380 HydrophobicContact CD1-CB 4.48Å; A376-C380 VanDerWaalsContact O-CB 3.31Å; A376-C380 WeakPolarHBondContact O-CB 3.43Å; A376-C380 PolarHBondContact O-N 3.47Å; R377-C380 WeakPolarHBondContact O-CB 3.47Å; R377-C380 PolarHBondContact O-N 2.93Å; R378-C380 VanDerWaalsContact C-N 3.26Å; R378-C380 PolarHBondContact O-N 3.31Å; C380-F384 WeakPolarHBondContact O-CB 3.43Å; C380-F384 PolarHBondContact O-N 3.47Å
381D95.5Very high95.7Very high57 Ų5737.9 Ų37.931%0.30520%0.198SC..Hα-helixtrans-64.9-43.5173.6-61.1-48.8000111.9A304 R377 R378 R379 F384 A385A304-D381 HydrophobicContact CB-CB 4.13Å; A304-D381 WeakPolarHBondContact CB-OD1 3.35Å; R377-D381 IonicContact CZ-OD1 3.26Å; R377-D381 IonicContact CZ-OD2 2.82Å; R377-D381 IonicContact NH1-OD1 2.71Å; R377-D381 PolarHBondContact NH1-OD1 2.91Å; R377-D381 IonicContact NH1-OD2 3.69Å; R377-D381 PolarHBondContact NH1-OD2 2.93Å; R377-D381 IonicContact NH2-OD1 3.84Å; R377-D381 PolarHBondContact NH2-OD1 3.49Å; R377-D381 VanDerWaalsContact NH2-OD1 3.15Å; R377-D381 IonicContact NH2-OD2 3.42Å; R378-D381 WeakPolarHBondContact O-CB 3.38Å; R378-D381 PolarHBondContact O-N 3.09Å; R378-D381 VanDerWaalsContact O-N 3.13Å; R379-D381 VanDerWaalsContact C-N 3.27Å; R379-D381 PolarHBondContact O-N 3.13Å; D381-F384 PolarHBondContact O-N 3.13Å; D381-A385 PolarHBondContact O-N 3.49Å; D381-A385 VanDerWaalsContact O-N 3.13Å
382V96.1Very high95.7Very high47 Ų4744 Ų4429%0.28523%0.225SC..Hα-helixtrans-66.3-46.4179.2-177.60000110.8M281 R379 F384 A385 M386 Y393M281-V382 HydrophobicContact CE-CB 3.81Å; M281-V382 HydrophobicContact CE-CG1 3.87Å; M281-V382 HydrophobicContact CE-CG2 4.36Å; R379-V382 PolarHBondContact O-N 3.28Å; V382-F384 VanDerWaalsContact C-N 3.3Å; V382-F384 PolarHBondContact O-N 3.34Å; V382-A385 PolarHBondContact O-N 3.32Å; V382-M386 HydrophobicContact CG1-CG 4.27Å; V382-M386 HydrophobicContact CG1-SD 3.74Å; V382-M386 VanDerWaalsContact O-CG 3.28Å; V382-M386 WeakPolarHBondContact O-CG 3.43Å; V382-M386 PolarHBondContact O-N 3Å; V382-Y393 HydrophobicContact CG1-CD2 3.66Å; V382-Y393 HydrophobicContact CG1-CE2 3.93Å
383L96.6Very high95.6Very high1 Ų145.9 Ų45.91%0.00523%0.232CC..Hα-helixtrans-59.7-40.4176.2-74169.6000112.2L278 M281 V284 L292 L341 R379 M386 M387L278-L383 HydrophobicContact CD2-CD2 4.23Å; M281-L383 HydrophobicContact SD-CD1 4.39Å; M281-L383 HydrophobicContact SD-CD2 3.7Å; M281-L383 HydrophobicContact SD-CG 3.72Å; V284-L383 HydrophobicContact CG2-CD2 4.28Å; L292-L383 HydrophobicContact CD1-CD1 4.05Å; L292-L383 HydrophobicContact CD1-CD2 4.02Å; L292-L383 HydrophobicContact CD2-CD1 4.14Å; L341-L383 HydrophobicContact CD2-CD1 3.55Å; R379-L383 WeakPolarHBondContact O-CG 3.44Å; R379-L383 PolarHBondContact O-N 3.41Å; L383-M386 PolarHBondContact O-N 3.17Å; L383-M387 WeakPolarHBondContact O-CB 3.42Å; L383-M387 VanDerWaalsContact O-CG 3.23Å; L383-M387 WeakPolarHBondContact O-CG 3.39Å; L383-M387 PolarHBondContact O-N 3.41Å
384F95.9Very high95.4Very high29 Ų2948.1 Ų48.113%0.12725%0.248CC..Hα-helixtrans-59.3-48174.9173.7-99.1000111.6F301 A304 L307 C380 D381 V382 R388F301-F384 HydrophobicContact CB-CD2 4.33Å; F301-F384 HydrophobicContact CB-CE2 3.83Å; F301-F384 WeakPolarHBondContact O-CE2 3.33Å; F301-F384 WeakPolarHBondContact O-CZ 3.39Å; A304-F384 HydrophobicContact CB-CB 3.85Å; A304-F384 HydrophobicContact CB-CD1 3.65Å; A304-F384 HydrophobicContact CB-CE1 4.41Å; A304-F384 HydrophobicContact CB-CG 3.82Å; L307-F384 HydrophobicContact CB-CD2 4.46Å; L307-F384 HydrophobicContact CD2-CB 3.92Å; L307-F384 HydrophobicContact CD2-CD2 4.32Å; C380-F384 WeakPolarHBondContact O-CB 3.43Å; C380-F384 PolarHBondContact O-N 3.47Å; D381-F384 PolarHBondContact O-N 3.13Å; V382-F384 VanDerWaalsContact C-N 3.3Å; V382-F384 PolarHBondContact O-N 3.34Å; F384-R388 VanDerWaalsContact O-CB 3.27Å; F384-R388 WeakPolarHBondContact O-CB 3.24Å; F384-R388 PolarHBondContact O-N 3.27Å
385A95.3Very high94.9Very high33 Ų3351 Ų5127%0.27327%0.265SS..Hα-helixtrans-63.1-47.1178.300000111.9D381 V382 M387 R388 D389D381-A385 PolarHBondContact O-N 3.49Å; D381-A385 VanDerWaalsContact O-N 3.13Å; V382-A385 PolarHBondContact O-N 3.32Å; A385-M387 PolarHBondContact O-N 3.29Å; A385-R388 PolarHBondContact O-N 3.29Å; A385-D389 WeakPolarHBondContact O-CB 3.49Å; A385-D389 PolarHBondContact O-N 3Å
386M96.4Very high93.7Very high5 Ų558.2 Ų58.23%0.02530%0.299CS..Hα-helixtrans-59.2-44.8178.4-69.9170.961.300112.4V277 S280 M281 V382 L383 G390 T391 Y393V277-M386 HydrophobicContact CG1-CB 4.02Å; V277-M386 HydrophobicContact CG1-CE 4.18Å; V277-M386 WeakPolarHBondContact O-CE 3.42Å; S280-M386 VanDerWaalsContact OG-CE 3.3Å; S280-M386 WeakPolarHBondContact OG-CE 3.42Å; M281-M386 HydrophobicContact CB-CE 4.11Å; M281-M386 HydrophobicContact CB-SD 4.24Å; V382-M386 HydrophobicContact CG1-CG 4.27Å; V382-M386 HydrophobicContact CG1-SD 3.74Å; V382-M386 VanDerWaalsContact O-CG 3.28Å; V382-M386 WeakPolarHBondContact O-CG 3.43Å; V382-M386 PolarHBondContact O-N 3Å; L383-M386 PolarHBondContact O-N 3.17Å; M386-G390 VanDerWaalsContact O-CA 3.31Å; M386-G390 WeakPolarHBondContact O-CA 3.36Å; M386-G390 PolarHBondContact O-N 3.46Å; M386-T391 WeakPolarHBondContact CB-O 3.33Å; M386-T391 PolarHBondContact O-N 3.03Å; M386-Y393 HydrophobicContact SD-CD2 4.2Å
387M94.1Very high91.7Very high31 Ų3161.3 Ų61.315%0.15333%0.331CS..Hα-helixtrans-70.5-34.6179-69.8179.970.600112.7L274 L278 V296 A297 L383 A385L274-M387 HydrophobicContact CD1-CE 4.37Å; L278-M387 HydrophobicContact CD2-CG 3.69Å; L278-M387 HydrophobicContact CD2-SD 3.95Å; V296-M387 HydrophobicContact CB-CE 3.88Å; V296-M387 HydrophobicContact CB-SD 4.27Å; V296-M387 HydrophobicContact CG1-CE 3.71Å; V296-M387 HydrophobicContact CG1-SD 3.84Å; A297-M387 HydrophobicContact CB-CE 3.97Å; L383-M387 WeakPolarHBondContact O-CB 3.42Å; L383-M387 VanDerWaalsContact O-CG 3.23Å; L383-M387 WeakPolarHBondContact O-CG 3.39Å; L383-M387 PolarHBondContact O-N 3.41Å; A385-M387 PolarHBondContact O-N 3.29Å
388R91.7Very high88.9Confident161 Ų16166.7 Ų66.761%0.60838%0.376SS*.Hα-helixtrans-68.1-43.2177-177.1-168.267.1-167.5-6.1111.4F384 A385F384-R388 VanDerWaalsContact O-CB 3.27Å; F384-R388 WeakPolarHBondContact O-CB 3.24Å; F384-R388 PolarHBondContact O-N 3.27Å; A385-R388 PolarHBondContact O-N 3.29Å
389D93.7Very high88.6Confident84 Ų8465.2 Ų65.245%0.44938%0.377SS..Hα-helixtrans-99.2-7.9-170.1-56.7-24.1000112.9A385 T391A385-D389 WeakPolarHBondContact O-CB 3.49Å; A385-D389 PolarHBondContact O-N 3Å; D389-T391 HydrophobicContact CB-CG2 3.83Å; D389-T391 PolarHBondContact O-N 2.86Å
390G93.7Very high88.2Confident41 Ų4168.2 Ų68.242%0.42340%0.395SS..THydrogen-bonded Turntrans66.224.8-175.200000113.4M386M386-G390 VanDerWaalsContact O-CA 3.31Å; M386-G390 WeakPolarHBondContact O-CA 3.36Å; M386-G390 PolarHBondContact O-N 3.46Å
391T96.6Very high87.8Confident68 Ų6871.9 Ų71.942%0.41742%0.417SS..  trans-100.1147.6-171.252.90000112.8V277 M386 D389V277-T391 WeakPolarHBondContact CG1-O 3.28Å; M386-T391 WeakPolarHBondContact CB-O 3.33Å; M386-T391 PolarHBondContact O-N 3.03Å; D389-T391 HydrophobicContact CB-CG2 3.83Å; D389-T391 PolarHBondContact O-N 2.86Å
392F97.2Very high87.3Confident128 Ų12872.8 Ų72.856%0.56142%0.424SS*.  trans-71151.6173.5-67-5.5000111.3P276 V277 T394P276-F392 HydrophobicContact CB-CE1 4.16Å; P276-F392 HydrophobicContact CB-CZ 4.26Å; V277-F392 HydrophobicContact CB-CD1 4.47Å; V277-F392 HydrophobicContact CG2-CD1 4.09Å; V277-F392 HydrophobicContact CG2-CE1 4Å; F392-T394 PolarHBondContact O-N 3.08Å; F392-T394 VanDerWaalsContact O-N 3.1Å
393Y96.1Very high86.8Confident39 Ų3974.4 Ų74.415%0.15343%0.432CS..  trans-59.3115.6173.8175.1-108.9000109.7S280 M281 P282 V382 M386 P395S280-Y393 PolarHBondContact OG-N 2.96Å; M281-Y393 HydrophobicContact CB-CD2 4.39Å; M281-Y393 HydrophobicContact CB-CG 4.14Å; M281-Y393 HydrophobicContact CE-CD2 4.38Å; M281-Y393 HydrophobicContact CE-CE2 4.2Å; M281-Y393 HydrophobicContact CG-CD2 3.87Å; M281-Y393 HydrophobicContact CG-CE2 4.29Å; M281-Y393 HydrophobicContact CG-CG 4.03Å; P282-Y393 VanDerWaalsContact CD-CD1 3.46Å; P282-Y393 HydrophobicContact CG-CD1 4.4Å; P282-Y393 HydrophobicContact CG-CE1 4.13Å; V382-Y393 HydrophobicContact CG1-CD2 3.66Å; V382-Y393 HydrophobicContact CG1-CE2 3.93Å; M386-Y393 HydrophobicContact SD-CD2 4.2Å; Y393-P395 HydrophobicContact CD1-CG 4.49Å; Y393-P395 HydrophobicContact CE1-CB 4.31Å; Y393-P395 HydrophobicContact CE1-CG 4.02Å
394T91.8Very high86.1Confident98 Ų9879.3 Ų79.360%0.60146%0.461SS*.  trans-101.7122.4169.347.50000108.3F392 Q396F392-T394 PolarHBondContact O-N 3.08Å; F392-T394 VanDerWaalsContact O-N 3.1Å; T394-Q396 PolarHBondContact O-N 3.28Å
395P84Confident85.4Confident87 Ų8782.9 Ų82.957%0.56549%0.485SS*.  trans-64.9101.6172.8-12.625.5000108.5L353 Y393 G397L353-P395 HydrophobicContact CD1-CB 3.58Å; Y393-P395 HydrophobicContact CD1-CG 4.49Å; Y393-P395 HydrophobicContact CE1-CB 4.31Å; Y393-P395 HydrophobicContact CE1-CG 4.02Å; P395-G397 PolarHBondContact O-N 3.46Å
396Q73Confident84.6Confident154 Ų15486.8 Ų86.872%0.7250%0.501SS*.  trans-74.9112.5168.6-70.3-171.6-11.200108.1T394T394-Q396 PolarHBondContact O-N 3.28Å
397G55.3Low83.7Confident65 Ų6593.6 Ų93.667%0.6754%0.541SS*.  trans-50.6141.8160.600000109.1P395P395-G397 PolarHBondContact O-N 3.46Å
398S36.9Very low82.7Confident167 Ų16799.3 Ų99.3100%1.16858%0.576SS**  trans-57.60-167.1-60.10000114.6

Retrieved 398 of 398 residues in 887.4 ms (Link to these results)

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