A0A077ZA95_TRITR Loading...

DUF2052 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZA95, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 290 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
1M40.8Very low51.9Low229 Ų229111.7 Ų111.7100%1.12862%0.621SS**  010-77.9-175.570.800114.1
2V45.3Very low53.2Low124 Ų124117.2 Ų117.275%0.75263%0.625SS**  trans-92.6-16.8-176-175.60000113.3S5V2-S5 PolarHBondContact O-OG 3.34Å
3E42.5Very low54.9Low178 Ų178115 Ų11583%0.83261%0.613SS**Hα-helixtrans-79.6-22.3-175.7-66.8178.3164.200114.4S7E3-S7 PolarHBondContact O-OG 3.11Å
4A49.3Very low56Low65 Ų65115.6 Ų115.654%0.53760%0.602SS.*Hα-helixtrans-78.9-24.9-176.500000113.7S7A4-S7 PolarHBondContact O-OG 2.9Å; A4-S7 VanDerWaalsContact O-OG 3.12Å
5S48.1Very low57.4Low70 Ų70115.4 Ų115.449%0.4960%0.598SS.*Hα-helixtrans-77-35.5-179.2340000112.9V2 S7 L8V2-S5 PolarHBondContact O-OG 3.34Å; S5-S7 VanDerWaalsContact C-N 3.32Å; S5-S7 PolarHBondContact O-N 3.3Å; S5-L8 PolarHBondContact O-N 3.22Å
6C44.3Very low58.7Low73 Ų73116.4 Ų116.449%0.49360%0.596SS.*Hα-helixtrans-64.8-37.4179.2-157.90000111.7L8 E10C6-L8 PolarHBondContact O-N 3.37Å; C6-E10 WeakPolarHBondContact O-CG 3.15Å; C6-E10 PolarHBondContact O-N 3.47Å; C6-E10 PolarHBondContact SG-OE1 3Å
7S57.8Low59.8Low58 Ų58113.5 Ų113.541%0.40658%0.58SS.*Hα-helixtrans-71.8-29.2-179.131.10000113.5E3 A4 S5 T11E3-S7 PolarHBondContact O-OG 3.11Å; A4-S7 PolarHBondContact O-OG 2.9Å; A4-S7 VanDerWaalsContact O-OG 3.12Å; S5-S7 VanDerWaalsContact C-N 3.32Å; S5-S7 PolarHBondContact O-N 3.3Å; S7-T11 WeakPolarHBondContact O-CB 3.43Å; S7-T11 WeakPolarHBondContact O-CG2 3.4Å; S7-T11 PolarHBondContact O-N 3.11Å; S7-T11 PolarHBondContact O-OG1 3.32Å
8L59Low60.8Low117 Ų117108.8 Ų108.861%0.61356%0.556SS**Hα-helixtrans-74.8-33.3178.7-70176.9000113.5S5 C6 T11 R12S5-L8 PolarHBondContact O-N 3.22Å; C6-L8 PolarHBondContact O-N 3.37Å; L8-T11 WeakPolarHBondContact CA-OG1 3.35Å; L8-T11 PolarHBondContact O-OG1 3Å; L8-R12 WeakPolarHBondContact O-CG 3.28Å; L8-R12 PolarHBondContact O-N 3.41Å
9E60.1Low61.8Low143 Ų143108.7 Ų108.767%0.66855%0.553SS**Hα-helixtrans-73.3-44.9176.4-68.2-171.4161.700110.8T11 R12 D13E9-T11 VanDerWaalsContact C-N 3.3Å; E9-T11 PolarHBondContact O-N 3.02Å; E9-R12 PolarHBondContact O-N 3.48Å; E9-D13 PolarHBondContact O-N 3.32Å
10E60.1Low62.7Low100 Ų100106.6 Ų106.647%0.46755%0.549SS..Hα-helixtrans-60-38.3177.2-71.1174.8-162.400112.8C6 R14C6-E10 WeakPolarHBondContact O-CG 3.15Å; C6-E10 PolarHBondContact O-N 3.47Å; C6-E10 PolarHBondContact SG-OE1 3Å; E10-R14 WeakPolarHBondContact O-CB 3.3Å; E10-R14 VanDerWaalsContact O-CG 3.25Å; E10-R14 WeakPolarHBondContact O-CG 3.46Å; E10-R14 PolarHBondContact O-N 3.3Å
11T63.5Low63.4Low72 Ų72101.5 Ų101.544%0.44252%0.523SS..Hα-helixtrans-67.8-42.6177.248.20000112.2S7 L8 E9 D13 R14 E15S7-T11 WeakPolarHBondContact O-CB 3.43Å; S7-T11 WeakPolarHBondContact O-CG2 3.4Å; S7-T11 PolarHBondContact O-N 3.11Å; S7-T11 PolarHBondContact O-OG1 3.32Å; L8-T11 WeakPolarHBondContact CA-OG1 3.35Å; L8-T11 PolarHBondContact O-OG1 3Å; E9-T11 VanDerWaalsContact C-N 3.3Å; E9-T11 PolarHBondContact O-N 3.02Å; T11-D13 VanDerWaalsContact C-N 3.35Å; T11-D13 PolarHBondContact O-N 3.43Å; T11-R14 PolarHBondContact O-N 3.36Å; T11-E15 WeakPolarHBondContact O-CG 3.29Å; T11-E15 PolarHBondContact O-N 3.01Å
12R68Low65.2Low177 Ų17791 Ų9167%0.66847%0.471SS*.Hα-helixtrans-63.6-39.5176.3-79-176.2176-163.2-0.9112.6L8 E9 E15 K16L8-R12 WeakPolarHBondContact O-CG 3.28Å; L8-R12 PolarHBondContact O-N 3.41Å; E9-R12 PolarHBondContact O-N 3.48Å; R12-E15 PolarHBondContact O-N 3.5Å; R12-K16 WeakPolarHBondContact O-CG 3.41Å; R12-K16 PolarHBondContact O-N 3.22Å; R12-K16 VanDerWaalsContact O-N 3.13Å
13D74.5Confident66.8Low89 Ų8989.1 Ų89.148%0.47646%0.457SS..Hα-helixtrans-70.5-38.8179.2-75-17.3000111.6E9 T11 E15 K16 M17E9-D13 PolarHBondContact O-N 3.32Å; T11-D13 VanDerWaalsContact C-N 3.35Å; T11-D13 PolarHBondContact O-N 3.43Å; D13-E15 VanDerWaalsContact C-N 3.35Å; D13-E15 PolarHBondContact O-N 3.03Å; D13-K16 PolarHBondContact O-N 2.62Å; D13-M17 WeakPolarHBondContact O-CG 3.35Å; D13-M17 PolarHBondContact O-N 2.92Å
14R71.2Confident68.6Low123 Ų12384.5 Ų84.546%0.46443%0.432SS..Hα-helixtrans-60.8-41.4171.9-74.9176.5-175.6-135.51.2112.5E10 T11 M17 L18 L78E10-R14 WeakPolarHBondContact O-CB 3.3Å; E10-R14 VanDerWaalsContact O-CG 3.25Å; E10-R14 WeakPolarHBondContact O-CG 3.46Å; E10-R14 PolarHBondContact O-N 3.3Å; T11-R14 PolarHBondContact O-N 3.36Å; R14-M17 PolarHBondContact O-N 3.38Å; R14-L18 WeakPolarHBondContact O-CB 3.39Å; R14-L18 PolarHBondContact O-N 3.36Å; R14-L78 HydrophobicContact CB-CD2 4.22Å; R14-L78 HydrophobicContact CG-CD2 4.46Å; R14-L78 WeakPolarHBondContact O-CD2 3.46Å
15E76.2Confident69.9Low113 Ų11381.4 Ų81.453%0.52841%0.406SS..Hα-helixtrans-63.2-44.7177.1-76.7-174.4157.800112T11 R12 D13 M17 L18 E19T11-E15 WeakPolarHBondContact O-CG 3.29Å; T11-E15 PolarHBondContact O-N 3.01Å; R12-E15 PolarHBondContact O-N 3.5Å; D13-E15 VanDerWaalsContact C-N 3.35Å; D13-E15 PolarHBondContact O-N 3.03Å; E15-M17 VanDerWaalsContact C-N 3.34Å; E15-M17 PolarHBondContact O-N 3.37Å; E15-L18 WeakPolarHBondContact O-CB 3.39Å; E15-L18 PolarHBondContact O-N 3Å; E15-E19 WeakPolarHBondContact O-CG 3.47Å; E15-E19 PolarHBondContact O-N 3.15Å
16K78.9Confident71.2Confident132 Ų13278.2 Ų78.257%0.57438%0.384SS*.Hα-helixtrans-62.9-39.9175.8-70.8174-175.9168.40112.5R12 D13 L18 E19 S20R12-K16 WeakPolarHBondContact O-CG 3.41Å; R12-K16 PolarHBondContact O-N 3.22Å; R12-K16 VanDerWaalsContact O-N 3.13Å; D13-K16 PolarHBondContact O-N 2.62Å; K16-L18 VanDerWaalsContact C-N 3.34Å; K16-E19 PolarHBondContact O-N 3.12Å; K16-S20 WeakPolarHBondContact O-CB 3.41Å; K16-S20 PolarHBondContact O-N 2.93Å
17M77.5Confident72.7Confident67 Ų6780.9 Ų80.933%0.3339%0.393SS..Hα-helixtrans-64.1-41.5175.3-73.7-177.767.600111.3D13 R14 E15 S20 M21 N74 L78D13-M17 WeakPolarHBondContact O-CG 3.35Å; D13-M17 PolarHBondContact O-N 2.92Å; R14-M17 PolarHBondContact O-N 3.38Å; E15-M17 VanDerWaalsContact C-N 3.34Å; E15-M17 PolarHBondContact O-N 3.37Å; M17-S20 PolarHBondContact O-N 2.97Å; M17-M21 PolarHBondContact O-N 3.02Å; M17-N74 HydrophobicContact CE-CB 4.35Å; M17-N74 VanDerWaalsContact CE-O 3.26Å; M17-N74 WeakPolarHBondContact CE-O 3.19Å; M17-L78 HydrophobicContact CB-CD1 4.1Å; M17-L78 HydrophobicContact CB-CD2 4.15Å; M17-L78 HydrophobicContact CB-CG 4.46Å
18L77.8Confident73.4Confident28 Ų2880.2 Ų80.215%0.14739%0.387CS..Hα-helixtrans-62.4-46.9176.1-173.5160.3000110.6R14 E15 K16 S20 M21 L22 Y56 L78R14-L18 WeakPolarHBondContact O-CB 3.39Å; R14-L18 PolarHBondContact O-N 3.36Å; E15-L18 WeakPolarHBondContact O-CB 3.39Å; E15-L18 PolarHBondContact O-N 3Å; K16-L18 VanDerWaalsContact C-N 3.34Å; L18-S20 VanDerWaalsContact C-N 3.31Å; L18-S20 PolarHBondContact O-N 2.97Å; L18-M21 WeakPolarHBondContact O-CB 3.47Å; L18-M21 PolarHBondContact O-N 3.31Å; L18-L22 HydrophobicContact CD2-CD1 3.45Å; L18-L22 VanDerWaalsContact CD2-CD1 3.45Å; L18-L22 HydrophobicContact CD2-CG 3.81Å; L18-L22 WeakPolarHBondContact O-CG 3.5Å; L18-L22 PolarHBondContact O-N 2.87Å; L18-Y56 HydrophobicContact CD1-CD1 3.96Å; L18-Y56 HydrophobicContact CD1-CE1 3.58Å; L18-L78 HydrophobicContact CB-CD1 4.19Å; L18-L78 HydrophobicContact CB-CD2 4.39Å
19E78.4Confident73.5Confident107 Ų10780.7 Ų80.750%0.540%0.397SS..Hα-helixtrans-60-41.4176.1-73.5179.7175.200112.1E15 K16 L22 N23E15-E19 WeakPolarHBondContact O-CG 3.47Å; E15-E19 PolarHBondContact O-N 3.15Å; K16-E19 PolarHBondContact O-N 3.12Å; E19-L22 PolarHBondContact O-N 3.45Å; E19-N23 VanDerWaalsContact O-CB 3.31Å; E19-N23 WeakPolarHBondContact O-CB 3.41Å; E19-N23 VanDerWaalsContact O-CG 3.25Å; E19-N23 PolarHBondContact O-N 3.19Å; E19-N23 PolarHBondContact O-ND2 2.87Å
20S80.6Confident73.7Confident67 Ų6777.7 Ų77.747%0.46940%0.404SS..Hα-helixtrans-62.7-43.3175.6-1750000112.4K16 M17 L18 R24K16-S20 WeakPolarHBondContact O-CB 3.41Å; K16-S20 PolarHBondContact O-N 2.93Å; M17-S20 PolarHBondContact O-N 2.97Å; L18-S20 VanDerWaalsContact C-N 3.31Å; L18-S20 PolarHBondContact O-N 2.97Å; S20-R24 WeakPolarHBondContact O-CB 3.46Å; S20-R24 PolarHBondContact O-N 3.33Å; S20-R24 VanDerWaalsContact O-N 3.07Å
21M77.9Confident73.8Confident0 Ų073.5 Ų73.50%039%0.387CS..Hα-helixtrans-60.9-50.2174.6-179.6-146.4-76.300111.2M17 L18 N23 R24 I25 F63 L71 D75 L78 F79M17-M21 PolarHBondContact O-N 3.02Å; L18-M21 WeakPolarHBondContact O-CB 3.47Å; L18-M21 PolarHBondContact O-N 3.31Å; M21-N23 PolarHBondContact O-N 2.83Å; M21-R24 PolarHBondContact O-N 2.89Å; M21-I25 HydrophobicContact CG-CD1 3.85Å; M21-I25 WeakPolarHBondContact O-CG1 3.44Å; M21-I25 PolarHBondContact O-N 3.22Å; M21-I25 HydrophobicContact SD-CD1 4.15Å; M21-F63 HydrophobicContact SD-CE1 4.07Å; M21-F63 HydrophobicContact SD-CZ 4.06Å; M21-L71 HydrophobicContact CE-CD2 3.89Å; M21-L71 HydrophobicContact CG-CD2 3.82Å; M21-L71 HydrophobicContact SD-CD2 3.69Å; M21-D75 HydrophobicContact CE-CB 3.5Å; M21-D75 VanDerWaalsContact CE-CB 3.5Å; M21-D75 HydrophobicContact CG-CB 4.15Å; M21-L78 HydrophobicContact CB-CD1 4.46Å; M21-L78 HydrophobicContact CE-CB 4.01Å; M21-L78 HydrophobicContact CE-CD1 3.33Å; M21-L78 HydrophobicContact CE-CG 4.26Å; M21-F79 HydrophobicContact CE-CD2 4.47Å; M21-F79 HydrophobicContact CE-CE2 3.62Å; M21-F79 HydrophobicContact CE-CZ 4.03Å; M21-F79 HydrophobicContact SD-CZ 4.45Å
22L78.3Confident73.9Confident8 Ų875.9 Ų75.94%0.04239%0.389CS..Hα-helixtrans-64-41.8-177.7-67.2-168.9000111.9L18 E19 R24 I25 A26 L49 L52 R53 F63L18-L22 HydrophobicContact CD2-CD1 3.45Å; L18-L22 VanDerWaalsContact CD2-CD1 3.45Å; L18-L22 HydrophobicContact CD2-CG 3.81Å; L18-L22 WeakPolarHBondContact O-CG 3.5Å; L18-L22 PolarHBondContact O-N 2.87Å; E19-L22 PolarHBondContact O-N 3.45Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-R24 PolarHBondContact O-N 2.94Å; L22-I25 PolarHBondContact O-N 2.9Å; L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 3.3Å; L22-L49 HydrophobicContact CB-CD2 3.74Å; L22-L49 WeakPolarHBondContact O-CD2 3.44Å; L22-L52 HydrophobicContact CB-CD1 4.46Å; L22-L52 HydrophobicContact CD2-CB 3.7Å; L22-L52 HydrophobicContact CD2-CD1 4.07Å; L22-R53 HydrophobicContact CD1-CB 4.05Å; L22-F63 HydrophobicContact CD2-CE2 4.19Å; L22-F63 HydrophobicContact CD2-CZ 4.16Å
23N79.4Confident73.8Confident84 Ų8468.2 Ų68.245%0.44936%0.36SS..Hα-helixtrans-61.8-40.3175.6-76.1-35.9000111.7E19 M21 A26 D27 L49E19-N23 VanDerWaalsContact O-CB 3.31Å; E19-N23 WeakPolarHBondContact O-CB 3.41Å; E19-N23 VanDerWaalsContact O-CG 3.25Å; E19-N23 PolarHBondContact O-N 3.19Å; E19-N23 PolarHBondContact O-ND2 2.87Å; M21-N23 PolarHBondContact O-N 2.83Å; N23-A26 PolarHBondContact O-N 3.07Å; N23-D27 WeakPolarHBondContact O-CB 3.37Å; N23-D27 PolarHBondContact O-N 3.22Å; N23-L49 WeakPolarHBondContact OD1-CD1 3.33Å; N23-L49 WeakPolarHBondContact OD1-CD2 3.46Å
24R80.8Confident73.4Confident82 Ų8269.4 Ų69.431%0.30936%0.361SS..Hα-helixtrans-65.9-42.3176.5-176.8171.455-107-14.6112.4S20 M21 L22 A26 D27 T28 T72 D75S20-R24 WeakPolarHBondContact O-CB 3.46Å; S20-R24 PolarHBondContact O-N 3.33Å; S20-R24 VanDerWaalsContact O-N 3.07Å; M21-R24 PolarHBondContact O-N 2.89Å; L22-R24 VanDerWaalsContact C-N 3.33Å; L22-R24 PolarHBondContact O-N 2.94Å; R24-A26 VanDerWaalsContact C-N 3.34Å; R24-D27 PolarHBondContact O-N 3.15Å; R24-T28 PolarHBondContact O-N 3.01Å; R24-T28 VanDerWaalsContact O-N 3.12Å; R24-T28 PolarHBondContact O-OG1 3.05Å; R24-T72 PolarHBondContact NH2-OG1 2.67Å; R24-D75 IonicContact CZ-OD1 4Å; R24-D75 IonicContact CZ-OD2 3.21Å; R24-D75 IonicContact NH2-OD1 2.64Å; R24-D75 PolarHBondContact NH2-OD1 3.11Å; R24-D75 IonicContact NH2-OD2 3.89Å; R24-D75 PolarHBondContact NH2-OD2 3.19Å
25I75.2Confident72.9Confident0 Ų067.7 Ų67.70%037%0.368CS..Hα-helixtrans-67.7-37.6177-63.7167.3000110.6M21 L22 T28 L52 F63 Y67 M70 L71M21-I25 HydrophobicContact CG-CD1 3.85Å; M21-I25 WeakPolarHBondContact O-CG1 3.44Å; M21-I25 PolarHBondContact O-N 3.22Å; M21-I25 HydrophobicContact SD-CD1 4.15Å; L22-I25 PolarHBondContact O-N 2.9Å; I25-T28 PolarHBondContact O-N 2.71Å; I25-L52 HydrophobicContact CB-CD1 4.02Å; I25-L52 HydrophobicContact CG2-CD1 3.84Å; I25-L52 HydrophobicContact CG2-CD2 4.03Å; I25-F63 HydrophobicContact CD1-CE1 4.02Å; I25-F63 HydrophobicContact CD1-CE2 4.46Å; I25-F63 HydrophobicContact CD1-CZ 3.47Å; I25-F63 VanDerWaalsContact CD1-CZ 3.47Å; I25-Y67 HydrophobicContact CG2-CD1 3.79Å; I25-Y67 HydrophobicContact CG2-CE1 4.14Å; I25-Y67 HydrophobicContact CG2-CG 4.19Å; I25-M70 HydrophobicContact CG1-CB 4.25Å; I25-M70 HydrophobicContact CG2-SD 4.17Å; I25-L71 HydrophobicContact CD1-CD2 4.11Å
26A75.3Confident72.3Confident2 Ų266.1 Ų66.12%0.01736%0.361CS..Hα-helixtrans-69.3-29.5175.500000113.1L22 N23 R24 L45 R48 L49 L52L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.42Å; L22-A26 PolarHBondContact O-N 3.3Å; N23-A26 PolarHBondContact O-N 3.07Å; R24-A26 VanDerWaalsContact C-N 3.34Å; A26-L45 HydrophobicContact CB-CD2 4.38Å; A26-R48 PolarHBondContact O-NH1 3.43Å; A26-R48 VanDerWaalsContact O-NH1 3.07Å; A26-R48 PolarHBondContact O-NH2 2.9Å; A26-L49 HydrophobicContact CB-CD2 3.71Å; A26-L49 HydrophobicContact CB-CG 4.2Å; A26-L52 HydrophobicContact CB-CD1 4.44Å
27D75.9Confident71.5Confident130 Ų13067.1 Ų67.170%0.69537%0.367SS*.Hα-helixtrans-83.2-17.2176-156.729.7000112.5N23 R24 P29N23-D27 WeakPolarHBondContact O-CB 3.37Å; N23-D27 PolarHBondContact O-N 3.22Å; R24-D27 PolarHBondContact O-N 3.15Å; D27-P29 VanDerWaalsContact O-CD 3.32Å; D27-P29 WeakPolarHBondContact O-CD 3.46Å
28T72.8Confident70.4Confident44 Ų4475.1 Ų75.127%0.2739%0.394SS..SBendtrans-68.2120.2-178.2-590000111.1R24 I25 G30 M70R24-T28 PolarHBondContact O-N 3.01Å; R24-T28 VanDerWaalsContact O-N 3.12Å; R24-T28 PolarHBondContact O-OG1 3.05Å; I25-T28 PolarHBondContact O-N 2.71Å; T28-G30 PolarHBondContact O-N 3.43Å; T28-M70 HydrophobicContact CG2-CG 4.26Å; T28-M70 HydrophobicContact CG2-SD 3.8Å
29P62.1Low69.3Low126 Ų12681.8 Ų81.882%0.81843%0.43SS*.THydrogen-bonded Turntrans-71.2127.2179.626.5-31000110.5D27D27-P29 VanDerWaalsContact O-CD 3.32Å; D27-P29 WeakPolarHBondContact O-CD 3.46Å
30G64.4Low68.5Low80 Ų8080.6 Ų80.683%0.82542%0.424SS*.THydrogen-bonded Turntrans99.5-0.8179.800000115.2T28 Y32T28-G30 PolarHBondContact O-N 3.43Å; G30-Y32 PolarHBondContact O-N 3.18Å
31A61.4Low67.5Low13 Ų1382.7 Ų82.711%0.10744%0.436CS..  trans-63.6127.1171.100000110.5F33 Y67 M70A31-F33 HydrophobicContact CB-CD2 4.44Å; A31-F33 HydrophobicContact CB-CE1 4.38Å; A31-F33 HydrophobicContact CB-CE2 3.41Å; A31-F33 VanDerWaalsContact CB-CE2 3.41Å; A31-F33 HydrophobicContact CB-CZ 3.37Å; A31-F33 WeakPolarHBondContact O-CD2 3.28Å; A31-F33 WeakPolarHBondContact O-CE2 2.95Å; A31-Y67 HydrophobicContact CB-CE1 4.35Å; A31-M70 HydrophobicContact CB-CE 3.85Å; A31-M70 HydrophobicContact CB-SD 3.92Å
32Y65.5Low66.8Low121 Ų12189.7 Ų89.748%0.47547%0.473SS..  trans-89.1120.8176.8173.1-89.5000109.4G30 K34 S35 Y67G30-Y32 PolarHBondContact O-N 3.18Å; Y32-K34 WeakPolarHBondContact CE2-O 3.11Å; Y32-S35 WeakPolarHBondContact OH-CA 3.49Å; Y32-S35 WeakPolarHBondContact OH-CB 3.37Å; Y32-S35 PolarHBondContact OH-N 3.34Å; Y32-S35 PolarHBondContact OH-OG 3.49Å; Y32-Y67 PolarHBondContact O-OH 3.18Å
33F66.3Low66.1Low17 Ų1791 Ų918%0.07548%0.48CS..  trans-107-38.5-179-59.3-89.4000112.1A31 L43 R48 L52A31-F33 HydrophobicContact CB-CD2 4.44Å; A31-F33 HydrophobicContact CB-CE1 4.38Å; A31-F33 HydrophobicContact CB-CE2 3.41Å; A31-F33 VanDerWaalsContact CB-CE2 3.41Å; A31-F33 HydrophobicContact CB-CZ 3.37Å; A31-F33 WeakPolarHBondContact O-CD2 3.28Å; A31-F33 WeakPolarHBondContact O-CE2 2.95Å; F33-L43 HydrophobicContact CB-CD1 3.99Å; F33-R48 HydrophobicContact CD1-CB 4.07Å; F33-R48 HydrophobicContact CD1-CG 4.3Å; F33-R48 HydrophobicContact CD2-CG 4.18Å; F33-R48 HydrophobicContact CE1-CB 4.07Å; F33-R48 HydrophobicContact CE1-CG 4.47Å; F33-R48 HydrophobicContact CE2-CG 4.41Å; F33-R48 HydrophobicContact CG-CB 4.43Å; F33-R48 HydrophobicContact CG-CG 4.16Å; F33-R48 HydrophobicContact CZ-CB 4.47Å; F33-R48 VanDerWaalsContact CZ-NE 3.26Å; F33-L52 HydrophobicContact CD1-CD2 3.93Å; F33-L52 HydrophobicContact CD1-CG 4Å; F33-L52 HydrophobicContact CE1-CD1 3.85Å; F33-L52 HydrophobicContact CE1-CD2 3.74Å; F33-L52 HydrophobicContact CE1-CG 3.75Å
34K64.9Low65.7Low114 Ų11490.5 Ų90.550%0.49648%0.48SS..SBendtrans-157.1150-177.5-171.4-178.6175.7-165.30109.5Y32 Q36 L43Y32-K34 WeakPolarHBondContact CE2-O 3.11Å; K34-Q36 PolarHBondContact O-N 3.4Å; K34-L43 HydrophobicContact CB-CD1 4.39Å
35S62.1Low65Low86 Ų8691.4 Ų91.460%0.60149%0.491SS*.  trans-66.599.9166.1-75.70000109.1Y32Y32-S35 WeakPolarHBondContact OH-CA 3.49Å; Y32-S35 WeakPolarHBondContact OH-CB 3.37Å; Y32-S35 PolarHBondContact OH-N 3.34Å; Y32-S35 PolarHBondContact OH-OG 3.49Å
36Q63.2Low64.8Low81 Ų8199 Ų9938%0.37953%0.527SS..PPolyproline II helixtrans-86.1135.8171.5-64.7-176.3-70.500109.9K34 E40 P41 L43K34-Q36 PolarHBondContact O-N 3.4Å; Q36-E40 VanDerWaalsContact CA-OE2 3.28Å; Q36-E40 WeakPolarHBondContact CA-OE2 3.25Å; Q36-E40 HydrophobicContact CB-CB 4.3Å; Q36-P41 PolarHBondContact NE2-O 3.22Å; Q36-L43 HydrophobicContact CG-CD1 4.43Å
37Q61.7Low64.9Low152 Ų152103.4 Ų103.471%0.7155%0.547SS*.PPolyproline II helixtrans-77.5159.3173.4-63.1-169.34.600110.5N39 E40Q37-N39 PolarHBondContact O-N 3.01Å; Q37-N39 VanDerWaalsContact O-N 3.11Å; Q37-E40 HydrophobicContact CB-CG 4.46Å; Q37-E40 PolarHBondContact O-N 3.4Å; Q37-E40 VanDerWaalsContact O-N 3.11Å
38R54.2Low64.8Low235 Ų23599.5 Ų99.589%0.88752%0.522SS*.THydrogen-bonded Turntrans-55.6121.3167.8-71.7180174.3173.2-1.7107.5
39N55.2Low64.9Low168 Ų16899.4 Ų99.490%0.89852%0.52SS*.THydrogen-bonded Turntrans91.77.5-179-41-37.6000117Q37Q37-N39 PolarHBondContact O-N 3.01Å; Q37-N39 VanDerWaalsContact O-N 3.11Å
40E62.5Low65.6Low82 Ų8298.4 Ų98.438%0.38351%0.507SS..PPolyproline II helixtrans-77.2140.8163.4-75.3-171.8164.200110.4Q36 Q37Q36-E40 VanDerWaalsContact CA-OE2 3.28Å; Q36-E40 WeakPolarHBondContact CA-OE2 3.25Å; Q36-E40 HydrophobicContact CB-CB 4.3Å; Q37-E40 HydrophobicContact CB-CG 4.46Å; Q37-E40 PolarHBondContact O-N 3.4Å; Q37-E40 VanDerWaalsContact O-N 3.11Å
41P59.2Low66.3Low111 Ų11196.7 Ų96.772%0.72148%0.479SS*.PPolyproline II helixtrans-63.3148.9174.327.2-33.5000110.7Q36 L43Q36-P41 PolarHBondContact NE2-O 3.22Å; P41-L43 PolarHBondContact O-N 3.32Å
42D62.4Low67.2Low147 Ų14796.1 Ų96.179%0.78647%0.474SS*.PPolyproline II helixtrans-55.2130.3172.9-65.9-37.5000109.5T44D42-T44 PolarHBondContact O-N 3.48Å
43L63.3Low67.8Low36 Ų3695.3 Ų95.319%0.18847%0.47CS..PPolyproline II helixtrans-57.3130.6179-74.1154000109.3F33 K34 Q36 P41 E47 R48 I51F33-L43 HydrophobicContact CB-CD1 3.99Å; K34-L43 HydrophobicContact CB-CD1 4.39Å; Q36-L43 HydrophobicContact CG-CD1 4.43Å; P41-L43 PolarHBondContact O-N 3.32Å; L43-E47 HydrophobicContact CD2-CB 4.15Å; L43-R48 HydrophobicContact CB-CG 3.68Å; L43-R48 HydrophobicContact CD1-CG 4.5Å; L43-I51 HydrophobicContact CD1-CD1 4.43Å; L43-I51 HydrophobicContact CD2-CD1 4.13Å
44T71.5Confident68.5Low73 Ų7398 Ų9845%0.44849%0.485SS..PPolyproline II helixtrans-63.5153.7173.759.40000110.2D42 E46 E47 R48D42-T44 PolarHBondContact O-N 3.48Å; T44-E46 PolarHBondContact O-N 3.05Å; T44-E47 PolarHBondContact N-OE2 3.36Å; T44-E47 PolarHBondContact O-N 2.99Å; T44-E47 VanDerWaalsContact O-N 3.15Å; T44-E47 WeakPolarHBondContact OG1-CB 3.45Å; T44-E47 WeakPolarHBondContact OG1-CG 3.47Å; T44-E47 PolarHBondContact OG1-N 3.02Å; T44-E47 PolarHBondContact OG1-OE2 3.06Å; T44-R48 WeakPolarHBondContact O-CG 3.46Å; T44-R48 PolarHBondContact O-N 3.13Å
45L66.3Low69.2Low102 Ų10294.6 Ų94.653%0.53447%0.472SS..Hα-helixtrans-54.6-38.7177-79.9167.4000111.5A26 R48 L49A26-L45 HydrophobicContact CB-CD2 4.38Å; L45-R48 PolarHBondContact O-N 3.46Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.38Å
46E71.3Confident69.9Low160 Ų16091.5 Ų91.575%0.74845%0.447SS*.Hα-helixtrans-64.7-44178.2-62.4-176.4-177.800112.5T44 R48 L49 L50T44-E46 PolarHBondContact O-N 3.05Å; E46-R48 PolarHBondContact O-N 3.32Å; E46-L49 PolarHBondContact O-N 2.8Å; E46-L50 PolarHBondContact O-N 3.07Å
47E76.9Confident70.6Confident94 Ų9494.1 Ų94.144%0.43946%0.457SS..Hα-helixtrans-64.8-39.2176.2-72.6166.6152.900111.8L43 T44 L50 I51L43-E47 HydrophobicContact CD2-CB 4.15Å; T44-E47 PolarHBondContact N-OE2 3.36Å; T44-E47 PolarHBondContact O-N 2.99Å; T44-E47 VanDerWaalsContact O-N 3.15Å; T44-E47 WeakPolarHBondContact OG1-CB 3.45Å; T44-E47 WeakPolarHBondContact OG1-CG 3.47Å; T44-E47 PolarHBondContact OG1-N 3.02Å; T44-E47 PolarHBondContact OG1-OE2 3.06Å; E47-L50 PolarHBondContact O-N 2.92Å; E47-I51 VanDerWaalsContact O-CG1 3.3Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 3.28Å
48R74.1Confident71.5Confident47 Ų4792.6 Ų92.618%0.17745%0.454CS..Hα-helixtrans-60.9-46.3175.7-67.9170.671.8-176.7-1110.9A26 F33 L43 T44 L45 E46 L50 I51 L52A26-R48 PolarHBondContact O-NH1 3.43Å; A26-R48 VanDerWaalsContact O-NH1 3.07Å; A26-R48 PolarHBondContact O-NH2 2.9Å; F33-R48 HydrophobicContact CD1-CB 4.07Å; F33-R48 HydrophobicContact CD1-CG 4.3Å; F33-R48 HydrophobicContact CD2-CG 4.18Å; F33-R48 HydrophobicContact CE1-CB 4.07Å; F33-R48 HydrophobicContact CE1-CG 4.47Å; F33-R48 HydrophobicContact CE2-CG 4.41Å; F33-R48 HydrophobicContact CG-CB 4.43Å; F33-R48 HydrophobicContact CG-CG 4.16Å; F33-R48 HydrophobicContact CZ-CB 4.47Å; F33-R48 VanDerWaalsContact CZ-NE 3.26Å; L43-R48 HydrophobicContact CB-CG 3.68Å; L43-R48 HydrophobicContact CD1-CG 4.5Å; T44-R48 WeakPolarHBondContact O-CG 3.46Å; T44-R48 PolarHBondContact O-N 3.13Å; L45-R48 PolarHBondContact O-N 3.46Å; E46-R48 PolarHBondContact O-N 3.32Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 3.33Å; R48-I51 PolarHBondContact O-N 2.92Å; R48-L52 WeakPolarHBondContact O-CG 3.5Å; R48-L52 PolarHBondContact O-N 3.04Å
49L74.5Confident72.8Confident43 Ų4390.2 Ų90.223%0.22545%0.445CS..Hα-helixtrans-62.4-40.8177.3-69.5172.2000112.1L22 N23 A26 L45 E46 L52 R53L22-L49 HydrophobicContact CB-CD2 3.74Å; L22-L49 WeakPolarHBondContact O-CD2 3.44Å; N23-L49 WeakPolarHBondContact OD1-CD1 3.33Å; N23-L49 WeakPolarHBondContact OD1-CD2 3.46Å; A26-L49 HydrophobicContact CB-CD2 3.71Å; A26-L49 HydrophobicContact CB-CG 4.2Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.38Å; E46-L49 PolarHBondContact O-N 2.8Å; L49-L52 PolarHBondContact O-N 2.98Å; L49-R53 WeakPolarHBondContact O-CB 3.32Å; L49-R53 PolarHBondContact O-N 3.46Å
50L78Confident73.8Confident104 Ų10483.2 Ų83.255%0.54541%0.409SS..Hα-helixtrans-62.9-44.8177.4-176.863.9000111.7E46 E47 R48 R53 N54E46-L50 PolarHBondContact O-N 3.07Å; E47-L50 PolarHBondContact O-N 2.92Å; R48-L50 VanDerWaalsContact C-N 3.34Å; R48-L50 PolarHBondContact O-N 3.33Å; L50-R53 PolarHBondContact O-N 3.47Å; L50-N54 VanDerWaalsContact O-CG 3.29Å; L50-N54 PolarHBondContact O-N 2.9Å; L50-N54 PolarHBondContact O-ND2 3.45Å
51I78.4Confident74.3Confident45 Ų4580 Ų8023%0.23140%0.395CS..Hα-helixtrans-60.7-47.2176.5-67.3165.3000110.4L43 E47 R48 R53 N54 L55L43-I51 HydrophobicContact CD1-CD1 4.43Å; L43-I51 HydrophobicContact CD2-CD1 4.13Å; E47-I51 VanDerWaalsContact O-CG1 3.3Å; E47-I51 WeakPolarHBondContact O-CG1 3.38Å; E47-I51 PolarHBondContact O-N 3.28Å; R48-I51 PolarHBondContact O-N 2.92Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.23Å; I51-N54 PolarHBondContact O-N 3.23Å; I51-L55 HydrophobicContact CG2-CD1 3.98Å; I51-L55 HydrophobicContact CG2-CG 4.35Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 2.92Å
52L79.5Confident75.1Confident0 Ų076.1 Ų76.10%038%0.376CS..Hα-helixtrans-61.7-41.3178.5-69.1177000112.1L22 I25 A26 F33 R48 L49 N54 L55 Y56 F63 Y67L22-L52 HydrophobicContact CB-CD1 4.46Å; L22-L52 HydrophobicContact CD2-CB 3.7Å; L22-L52 HydrophobicContact CD2-CD1 4.07Å; I25-L52 HydrophobicContact CB-CD1 4.02Å; I25-L52 HydrophobicContact CG2-CD1 3.84Å; I25-L52 HydrophobicContact CG2-CD2 4.03Å; A26-L52 HydrophobicContact CB-CD1 4.44Å; F33-L52 HydrophobicContact CD1-CD2 3.93Å; F33-L52 HydrophobicContact CD1-CG 4Å; F33-L52 HydrophobicContact CE1-CD1 3.85Å; F33-L52 HydrophobicContact CE1-CD2 3.74Å; F33-L52 HydrophobicContact CE1-CG 3.75Å; R48-L52 WeakPolarHBondContact O-CG 3.5Å; R48-L52 PolarHBondContact O-N 3.04Å; L49-L52 PolarHBondContact O-N 2.98Å; L52-N54 VanDerWaalsContact C-N 3.33Å; L52-N54 PolarHBondContact O-N 3.4Å; L52-L55 PolarHBondContact O-N 2.96Å; L52-Y56 WeakPolarHBondContact O-CB 3.42Å; L52-Y56 PolarHBondContact O-N 3.24Å; L52-F63 HydrophobicContact CB-CE2 4.22Å; L52-F63 HydrophobicContact CD2-CD2 4.47Å; L52-F63 HydrophobicContact CD2-CE2 3.8Å; L52-Y67 HydrophobicContact CD2-CD2 4.26Å; L52-Y67 HydrophobicContact CD2-CE1 4.28Å; L52-Y67 HydrophobicContact CD2-CE2 3.58Å
53R78.8Confident75.9Confident105 Ų10569.2 Ų69.240%0.39634%0.338SS..Hα-helixtrans-63.9-39.6178.8-167.8174.9-170.6169.72.6111.8L22 L49 L50 I51 K57L22-R53 HydrophobicContact CD1-CB 4.05Å; L49-R53 WeakPolarHBondContact O-CB 3.32Å; L49-R53 PolarHBondContact O-N 3.46Å; L50-R53 PolarHBondContact O-N 3.47Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.23Å; R53-K57 WeakPolarHBondContact O-CG 3.3Å; R53-K57 PolarHBondContact O-N 3.36Å
54N81Confident76.6Confident73 Ų7367.5 Ų67.539%0.3933%0.329SS..Hα-helixtrans-68.2-44.2175.3-66.5-17.1000110.7L50 I51 L52 Y56 K57 D58L50-N54 VanDerWaalsContact O-CG 3.29Å; L50-N54 PolarHBondContact O-N 2.9Å; L50-N54 PolarHBondContact O-ND2 3.45Å; I51-N54 PolarHBondContact O-N 3.23Å; L52-N54 VanDerWaalsContact C-N 3.33Å; L52-N54 PolarHBondContact O-N 3.4Å; N54-Y56 VanDerWaalsContact C-N 3.33Å; N54-Y56 PolarHBondContact O-N 3.32Å; N54-K57 PolarHBondContact O-N 2.97Å; N54-D58 VanDerWaalsContact O-CB 3.29Å; N54-D58 WeakPolarHBondContact O-CB 3.31Å; N54-D58 PolarHBondContact O-N 2.84Å
55L78.8Confident76.7Confident42 Ų4266.8 Ų66.822%0.2233%0.328CS..Hα-helixtrans-59.7-42176.1-74175.2000112.7I51 L52 R59 F63 Y67I51-L55 HydrophobicContact CG2-CD1 3.98Å; I51-L55 HydrophobicContact CG2-CG 4.35Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 2.92Å; L52-L55 PolarHBondContact O-N 2.96Å; L55-R59 CarbonylContact O-C 3.58Å; L55-R59 WeakPolarHBondContact O-CA 3.39Å; L55-R59 PolarHBondContact O-N 3.33Å; L55-R59 VanDerWaalsContact O-O 3.13Å; L55-F63 HydrophobicContact CB-CD2 4.14Å; L55-Y67 HydrophobicContact CD1-CE2 4.33Å
56Y78.4Confident77Confident22 Ų2268.8 Ų68.89%0.08633%0.328CS..Hα-helixtrans-62.9-41.7177.5177.9-95.9000112.2L18 L52 N54 L78 F79 H81L18-Y56 HydrophobicContact CD1-CD1 3.96Å; L18-Y56 HydrophobicContact CD1-CE1 3.58Å; L52-Y56 WeakPolarHBondContact O-CB 3.42Å; L52-Y56 PolarHBondContact O-N 3.24Å; N54-Y56 VanDerWaalsContact C-N 3.33Å; N54-Y56 PolarHBondContact O-N 3.32Å; Y56-L78 PolarHBondContact OH-O 3.46Å; Y56-F79 AromaticContact CD2-CE1 3.74Å; Y56-F79 HydrophobicContact CD2-CE1 3.74Å; Y56-F79 HydrophobicContact CD2-CZ 4.11Å; Y56-F79 AromaticContact CE2-CD1 3.94Å; Y56-F79 HydrophobicContact CE2-CD1 3.94Å; Y56-F79 AromaticContact CE2-CE1 3.49Å; Y56-F79 HydrophobicContact CE2-CE1 3.49Å; Y56-F79 VanDerWaalsContact CE2-CE1 3.49Å; Y56-F79 AromaticContact CE2-CZ 3.9Å; Y56-F79 HydrophobicContact CE2-CZ 3.9Å; Y56-H81 AromaticContact CZ-CE1 3.47Å; Y56-H81 VanDerWaalsContact CZ-CE1 3.47Å; Y56-H81 PolarHBondContact OH-CE1 3.37Å
57K76.9Confident77.1Confident135 Ų13561.3 Ų61.359%0.58729%0.293SS*.Hα-helixtrans-75.3-43.1179.9-72.4-179.2177-174.10113.1R53 N54R53-K57 WeakPolarHBondContact O-CG 3.3Å; R53-K57 PolarHBondContact O-N 3.36Å; N54-K57 PolarHBondContact O-N 2.97Å
58D80.4Confident76.9Confident120 Ų12059.7 Ų59.764%0.64229%0.285SS*.Hα-helixtrans-85.7-38.9-170.6-61.2-25.4000112N54N54-D58 VanDerWaalsContact O-CB 3.29Å; N54-D58 WeakPolarHBondContact O-CB 3.31Å; N54-D58 PolarHBondContact O-N 2.84Å
59R80.8Confident76.8Confident185 Ų18566 Ų6670%0.69832%0.317SS*.  trans-144.468.2-171.5-69.8-78.7174.381-1.3111.3L55 C61 G62 F63L55-R59 CarbonylContact O-C 3.58Å; L55-R59 WeakPolarHBondContact O-CA 3.39Å; L55-R59 PolarHBondContact O-N 3.33Å; L55-R59 VanDerWaalsContact O-O 3.13Å; R59-C61 VanDerWaalsContact C-N 3.32Å; R59-C61 PolarHBondContact O-N 3.23Å; R59-G62 PolarHBondContact O-N 3.35Å; R59-G62 VanDerWaalsContact O-N 3.07Å; R59-F63 PolarHBondContact O-N 3.46Å
60P76.9Confident76.7Confident22 Ų2266.1 Ų66.114%0.14332%0.317CS..Hα-helixtrans-58.7-37.2-178.621.2-32.5000113.8G62 F63 L64 V82P60-G62 VanDerWaalsContact C-N 3.35Å; P60-G62 PolarHBondContact O-N 2.9Å; P60-F63 WeakPolarHBondContact O-CB 3.49Å; P60-F63 PolarHBondContact O-N 3.4Å; P60-L64 PolarHBondContact O-N 3.01Å; P60-V82 HydrophobicContact CB-CB 4.49Å; P60-V82 HydrophobicContact CB-CG1 3.9Å; P60-V82 HydrophobicContact CB-CG2 3.73Å; P60-V82 HydrophobicContact CG-CG1 3.62Å; P60-V82 HydrophobicContact CG-CG2 4.08Å
61C72.9Confident76.5Confident14 Ų1462.2 Ų62.210%0.09530%0.296CS..Hα-helixtrans-61.6-41.9175-57.60000112.3R59 F63 L64 S65 E87R59-C61 VanDerWaalsContact C-N 3.32Å; R59-C61 PolarHBondContact O-N 3.23Å; C61-F63 VanDerWaalsContact C-N 3.3Å; C61-F63 PolarHBondContact O-N 3.47Å; C61-L64 PolarHBondContact O-N 2.91Å; C61-S65 WeakPolarHBondContact O-CB 3.24Å; C61-S65 PolarHBondContact O-N 3.07Å; C61-E87 HydrophobicContact CB-CB 4.07Å; C61-E87 WeakPolarHBondContact CB-OE2 3.45Å
62G76.2Confident76.2Confident30 Ų3062.5 Ų62.531%0.30930%0.3SS..Hα-helixtrans-68-31.6177.300000112.5R59 P60 R66R59-G62 PolarHBondContact O-N 3.35Å; R59-G62 VanDerWaalsContact O-N 3.07Å; P60-G62 VanDerWaalsContact C-N 3.35Å; P60-G62 PolarHBondContact O-N 2.9Å; G62-R66 VanDerWaalsContact O-CG 3.31Å; G62-R66 WeakPolarHBondContact O-CG 3.31Å; G62-R66 PolarHBondContact O-N 3.39Å
63F79.8Confident75.7Confident1 Ų163.8 Ų63.80%0.00431%0.311CS..Hα-helixtrans-65.7-50.9170.8-177-81.8000111.2M21 L22 I25 L52 L55 R59 P60 C61 S65 R66 Y67 L71 F79M21-F63 HydrophobicContact SD-CE1 4.07Å; M21-F63 HydrophobicContact SD-CZ 4.06Å; L22-F63 HydrophobicContact CD2-CE2 4.19Å; L22-F63 HydrophobicContact CD2-CZ 4.16Å; I25-F63 HydrophobicContact CD1-CE1 4.02Å; I25-F63 HydrophobicContact CD1-CE2 4.46Å; I25-F63 HydrophobicContact CD1-CZ 3.47Å; I25-F63 VanDerWaalsContact CD1-CZ 3.47Å; L52-F63 HydrophobicContact CB-CE2 4.22Å; L52-F63 HydrophobicContact CD2-CD2 4.47Å; L52-F63 HydrophobicContact CD2-CE2 3.8Å; L55-F63 HydrophobicContact CB-CD2 4.14Å; R59-F63 PolarHBondContact O-N 3.46Å; P60-F63 WeakPolarHBondContact O-CB 3.49Å; P60-F63 PolarHBondContact O-N 3.4Å; C61-F63 VanDerWaalsContact C-N 3.3Å; C61-F63 PolarHBondContact O-N 3.47Å; F63-S65 PolarHBondContact O-N 3.37Å; F63-R66 PolarHBondContact O-N 2.75Å; F63-Y67 HydrophobicContact CD1-CD2 4.23Å; F63-Y67 AromaticContact CD2-CD2 3.68Å; F63-Y67 HydrophobicContact CD2-CD2 3.68Å; F63-Y67 AromaticContact CD2-CE2 3.93Å; F63-Y67 HydrophobicContact CD2-CE2 3.93Å; F63-Y67 HydrophobicContact CE1-CD2 4.3Å; F63-Y67 AromaticContact CE2-CD2 3.8Å; F63-Y67 HydrophobicContact CE2-CD2 3.8Å; F63-Y67 HydrophobicContact CE2-CE2 4.13Å; F63-Y67 AromaticContact CG-CD2 3.92Å; F63-Y67 HydrophobicContact CG-CD2 3.92Å; F63-Y67 HydrophobicContact CZ-CD2 4.12Å; F63-Y67 VanDerWaalsContact O-CD2 3.3Å; F63-Y67 WeakPolarHBondContact O-CD2 3.42Å; F63-Y67 PolarHBondContact O-N 3.12Å; F63-L71 HydrophobicContact CE1-CD2 4.28Å; F63-F79 HydrophobicContact CD1-CE1 4.01Å; F63-F79 AromaticContact CD1-CZ 3.68Å; F63-F79 HydrophobicContact CD1-CZ 3.68Å; F63-F79 HydrophobicContact CE1-CE1 4.46Å; F63-F79 AromaticContact CE1-CZ 3.73Å; F63-F79 HydrophobicContact CE1-CZ 3.73Å
64L76.5Confident75.2Confident0 Ų064 Ų640%032%0.32CS..Hα-helixtrans-55.8-50.8177.5-83.3152.9000111.3P60 C61 R66 Y67 E68 L71 F79 A88 F91 L92P60-L64 PolarHBondContact O-N 3.01Å; C61-L64 PolarHBondContact O-N 2.91Å; L64-R66 VanDerWaalsContact C-N 3.25Å; L64-R66 PolarHBondContact O-N 3.33Å; L64-Y67 PolarHBondContact O-N 3.44Å; L64-E68 WeakPolarHBondContact O-CA 3.46Å; L64-E68 WeakPolarHBondContact O-CB 3.32Å; L64-E68 PolarHBondContact O-N 3.44Å; L64-L71 HydrophobicContact CD2-CD1 3.92Å; L64-F79 HydrophobicContact CD1-CD1 3.69Å; L64-F79 HydrophobicContact CD1-CE1 4Å; L64-F79 HydrophobicContact CD1-CG 4.2Å; L64-F79 HydrophobicContact CD2-CD1 4.26Å; L64-F79 HydrophobicContact CD2-CD2 4.2Å; L64-F79 HydrophobicContact CD2-CE1 4.23Å; L64-F79 HydrophobicContact CD2-CE2 4.15Å; L64-F79 HydrophobicContact CD2-CG 4.25Å; L64-F79 HydrophobicContact CD2-CZ 4.18Å; L64-F79 HydrophobicContact CG-CD1 3.95Å; L64-F79 HydrophobicContact CG-CE1 3.79Å; L64-F79 HydrophobicContact CG-CG 4.43Å; L64-F79 HydrophobicContact CG-CZ 4.13Å; L64-A88 HydrophobicContact CD1-CB 4.01Å; L64-F91 HydrophobicContact CB-CB 4.02Å; L64-F91 HydrophobicContact CB-CD2 4.27Å; L64-F91 HydrophobicContact CB-CG 4.34Å; L64-F91 HydrophobicContact CD2-CB 4.49Å; L64-L92 HydrophobicContact CD1-CG 4.44Å; L64-L92 HydrophobicContact CD2-CD2 3.74Å; L64-L92 HydrophobicContact CD2-CG 4.27Å
65S74.2Confident74.9Confident59 Ų5960.9 Ų60.941%0.41330%0.303SS..Hα-helixtrans-58-34-179.6178.20000113.9C61 F63 F91C61-S65 WeakPolarHBondContact O-CB 3.24Å; C61-S65 PolarHBondContact O-N 3.07Å; F63-S65 PolarHBondContact O-N 3.37Å; S65-F91 VanDerWaalsContact CB-CZ 3.46Å
66R72.7Confident74.5Confident144 Ų14458.9 Ų58.954%0.54329%0.293SS..Hα-helixtrans-87.7-34.5-177.2-70.4179.3-177.3-171.21.6113.4G62 F63 L64G62-R66 VanDerWaalsContact O-CG 3.31Å; G62-R66 WeakPolarHBondContact O-CG 3.31Å; G62-R66 PolarHBondContact O-N 3.39Å; F63-R66 PolarHBondContact O-N 2.75Å; L64-R66 VanDerWaalsContact C-N 3.25Å; L64-R66 PolarHBondContact O-N 3.33Å
67Y74.6Confident74.2Confident2 Ų262 Ų621%0.00831%0.311CS..Hα-helixtrans-114.911.1-171.2-54.1-67.6000113.1I25 A31 Y32 L52 L55 F63 L64 Q69 M70 L71I25-Y67 HydrophobicContact CG2-CD1 3.79Å; I25-Y67 HydrophobicContact CG2-CE1 4.14Å; I25-Y67 HydrophobicContact CG2-CG 4.19Å; A31-Y67 HydrophobicContact CB-CE1 4.35Å; Y32-Y67 PolarHBondContact O-OH 3.18Å; L52-Y67 HydrophobicContact CD2-CD2 4.26Å; L52-Y67 HydrophobicContact CD2-CE1 4.28Å; L52-Y67 HydrophobicContact CD2-CE2 3.58Å; L55-Y67 HydrophobicContact CD1-CE2 4.33Å; F63-Y67 HydrophobicContact CD1-CD2 4.23Å; F63-Y67 AromaticContact CD2-CD2 3.68Å; F63-Y67 HydrophobicContact CD2-CD2 3.68Å; F63-Y67 AromaticContact CD2-CE2 3.93Å; F63-Y67 HydrophobicContact CD2-CE2 3.93Å; F63-Y67 HydrophobicContact CE1-CD2 4.3Å; F63-Y67 AromaticContact CE2-CD2 3.8Å; F63-Y67 HydrophobicContact CE2-CD2 3.8Å; F63-Y67 HydrophobicContact CE2-CE2 4.13Å; F63-Y67 AromaticContact CG-CD2 3.92Å; F63-Y67 HydrophobicContact CG-CD2 3.92Å; F63-Y67 HydrophobicContact CZ-CD2 4.12Å; F63-Y67 VanDerWaalsContact O-CD2 3.3Å; F63-Y67 WeakPolarHBondContact O-CD2 3.42Å; F63-Y67 PolarHBondContact O-N 3.12Å; L64-Y67 PolarHBondContact O-N 3.44Å; Y67-Q69 PolarHBondContact O-N 3.44Å; Y67-Q69 VanDerWaalsContact O-N 3.07Å; Y67-M70 HydrophobicContact CD1-CE 3.66Å; Y67-M70 HydrophobicContact CD1-SD 4.12Å; Y67-M70 HydrophobicContact CE1-CE 4.3Å; Y67-M70 PolarHBondContact O-N 3.25Å; Y67-L71 PolarHBondContact O-N 3.36Å
68E71.5Confident73.9Confident60 Ų6056 Ų5628%0.2829%0.285SS..G310 helixtrans-48.9-39.2-178.955.5169.4-153.600113.1L64 M70 L71 F91L64-E68 WeakPolarHBondContact O-CA 3.46Å; L64-E68 WeakPolarHBondContact O-CB 3.32Å; L64-E68 PolarHBondContact O-N 3.44Å; E68-M70 VanDerWaalsContact C-N 3.3Å; E68-M70 PolarHBondContact O-N 2.99Å; E68-L71 PolarHBondContact O-N 3.38Å; E68-F91 WeakPolarHBondContact OE2-CD1 3.03Å
69Q72.6Confident73.5Confident179 Ų17950.3 Ų50.384%0.83625%0.254SS*.G310 helixtrans-75-19.9-176.8-57.1-172.3-11.500113.1Y67Y67-Q69 PolarHBondContact O-N 3.44Å; Y67-Q69 VanDerWaalsContact O-N 3.07Å
70M71.5Confident73Confident46 Ų4644.2 Ų44.223%0.22724%0.236CC..G310 helixtrans-96.7-6.2-177.9-56.5-177.8-135.600112.4I25 T28 A31 Y67 E68I25-M70 HydrophobicContact CG1-CB 4.25Å; I25-M70 HydrophobicContact CG2-SD 4.17Å; T28-M70 HydrophobicContact CG2-CG 4.26Å; T28-M70 HydrophobicContact CG2-SD 3.8Å; A31-M70 HydrophobicContact CB-CE 3.85Å; A31-M70 HydrophobicContact CB-SD 3.92Å; Y67-M70 HydrophobicContact CD1-CE 3.66Å; Y67-M70 HydrophobicContact CD1-SD 4.12Å; Y67-M70 HydrophobicContact CE1-CE 4.3Å; Y67-M70 PolarHBondContact O-N 3.25Å; E68-M70 VanDerWaalsContact C-N 3.3Å; E68-M70 PolarHBondContact O-N 2.99Å
71L75.1Confident72.8Confident22 Ų2248.5 Ų48.512%0.11525%0.254CS..  trans-83.8140.3179.6-70.1170.3000111.2M21 I25 F63 L64 Y67 E68 D75 F79M21-L71 HydrophobicContact CE-CD2 3.89Å; M21-L71 HydrophobicContact CG-CD2 3.82Å; M21-L71 HydrophobicContact SD-CD2 3.69Å; I25-L71 HydrophobicContact CD1-CD2 4.11Å; F63-L71 HydrophobicContact CE1-CD2 4.28Å; L64-L71 HydrophobicContact CD2-CD1 3.92Å; Y67-L71 PolarHBondContact O-N 3.36Å; E68-L71 PolarHBondContact O-N 3.38Å; L71-D75 HydrophobicContact CD2-CB 3.87Å; L71-F79 HydrophobicContact CD1-CE2 3.86Å; L71-F79 HydrophobicContact CD1-CZ 4.16Å; L71-F79 HydrophobicContact CD2-CE2 4.09Å; L71-F79 HydrophobicContact CD2-CZ 4.47Å
72T71.3Confident72.6Confident51 Ų5148.1 Ų48.131%0.31325%0.251SS..  trans-100.1164.3175.268.20000110.9R24 N74 D75 L76R24-T72 PolarHBondContact NH2-OG1 2.67Å; T72-N74 PolarHBondContact O-N 3.48Å; T72-D75 WeakPolarHBondContact CA-OD2 3.34Å; T72-D75 WeakPolarHBondContact CB-OD2 3.26Å; T72-D75 PolarHBondContact N-OD2 2.86Å; T72-D75 VanDerWaalsContact O-CB 3.3Å; T72-D75 WeakPolarHBondContact O-CB 3.46Å; T72-D75 PolarHBondContact O-N 2.92Å; T72-D75 PolarHBondContact OG1-OD1 3.05Å; T72-D75 PolarHBondContact OG1-OD2 3.31Å; T72-L76 PolarHBondContact O-N 3.37Å
73A68.2Low72.2Confident28 Ų2853.1 Ų53.123%0.23126%0.261CS..THydrogen-bonded Turntrans-56.9-34.9-178.600000113.7D75 L76 V99 F103A73-D75 VanDerWaalsContact C-N 3.3Å; A73-D75 PolarHBondContact O-N 3.41Å; A73-L76 PolarHBondContact O-N 3.21Å; A73-V99 HydrophobicContact CB-CG1 3.68Å; A73-V99 HydrophobicContact CB-CG2 4Å; A73-F103 HydrophobicContact CB-CE2 3.88Å; A73-F103 HydrophobicContact CB-CZ 4.44Å
74N69.7Low71.5Confident110 Ų11056.1 Ų56.159%0.58829%0.291SS*.THydrogen-bonded Turntrans-71.6-27.9-180-63.7-28.9000112.3M17 T72 L76M17-N74 HydrophobicContact CE-CB 4.35Å; M17-N74 VanDerWaalsContact CE-O 3.26Å; M17-N74 WeakPolarHBondContact CE-O 3.19Å; T72-N74 PolarHBondContact O-N 3.48Å; N74-L76 VanDerWaalsContact C-N 3.31Å
75D73.4Confident71.2Confident6 Ų661.5 Ų61.53%0.03232%0.318CS..G310 helixtrans-73.2-27.3-179.7-58.6-32.9000112.3M21 R24 L71 T72 A73 L77 L78 F79M21-D75 HydrophobicContact CE-CB 3.5Å; M21-D75 VanDerWaalsContact CE-CB 3.5Å; M21-D75 HydrophobicContact CG-CB 4.15Å; R24-D75 IonicContact CZ-OD1 4Å; R24-D75 IonicContact CZ-OD2 3.21Å; R24-D75 IonicContact NH2-OD1 2.64Å; R24-D75 PolarHBondContact NH2-OD1 3.11Å; R24-D75 IonicContact NH2-OD2 3.89Å; R24-D75 PolarHBondContact NH2-OD2 3.19Å; L71-D75 HydrophobicContact CD2-CB 3.87Å; T72-D75 WeakPolarHBondContact CA-OD2 3.34Å; T72-D75 WeakPolarHBondContact CB-OD2 3.26Å; T72-D75 PolarHBondContact N-OD2 2.86Å; T72-D75 VanDerWaalsContact O-CB 3.3Å; T72-D75 WeakPolarHBondContact O-CB 3.46Å; T72-D75 PolarHBondContact O-N 2.92Å; T72-D75 PolarHBondContact OG1-OD1 3.05Å; T72-D75 PolarHBondContact OG1-OD2 3.31Å; A73-D75 VanDerWaalsContact C-N 3.3Å; A73-D75 PolarHBondContact O-N 3.41Å; D75-L77 PolarHBondContact O-N 3.4Å; D75-L78 WeakPolarHBondContact O-CB 2.93Å; D75-L78 PolarHBondContact O-N 2.98Å; D75-F79 WeakPolarHBondContact O-CD2 3.48Å
76L70.4Confident71.1Confident1 Ų167.8 Ų67.81%0.00533%0.334CS..G310 helixtrans-60.3-27.5-179.4-60.6177.4000111.9T72 A73 N74 L78 F79 L92 C95 Y96 V99T72-L76 PolarHBondContact O-N 3.37Å; A73-L76 PolarHBondContact O-N 3.21Å; N74-L76 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.35Å; L76-F79 PolarHBondContact O-N 3.17Å; L76-L92 HydrophobicContact CD2-CD2 3.85Å; L76-C95 HydrophobicContact CD1-CB 3.97Å; L76-C95 HydrophobicContact CD2-CB 3.71Å; L76-Y96 HydrophobicContact CB-CE1 4.33Å; L76-Y96 HydrophobicContact CD1-CD1 3.96Å; L76-Y96 HydrophobicContact CD1-CE1 3.81Å; L76-Y96 HydrophobicContact CD1-CG 4.36Å; L76-V99 HydrophobicContact CD1-CG2 4.21Å
77L71.7Confident71Confident87 Ų8766.5 Ų66.546%0.45533%0.334SS..G310 helixtrans-64.9-25.8175.8-60.8173.1000112.7D75 F79 D80D75-L77 PolarHBondContact O-N 3.4Å; L77-F79 PolarHBondContact O-N 3.32Å; L77-D80 WeakPolarHBondContact O-CB 3.3Å; L77-D80 PolarHBondContact O-N 3.36Å
78L71.7Confident70.7Confident9 Ų966.4 Ų66.45%0.04733%0.334CS..G310 helixtrans-69.7-27.8178.2-68165.6000111.3R14 M17 L18 M21 Y56 D75 L76 D80 H81R14-L78 HydrophobicContact CB-CD2 4.22Å; R14-L78 HydrophobicContact CG-CD2 4.46Å; R14-L78 WeakPolarHBondContact O-CD2 3.46Å; M17-L78 HydrophobicContact CB-CD1 4.1Å; M17-L78 HydrophobicContact CB-CD2 4.15Å; M17-L78 HydrophobicContact CB-CG 4.46Å; L18-L78 HydrophobicContact CB-CD1 4.19Å; L18-L78 HydrophobicContact CB-CD2 4.39Å; M21-L78 HydrophobicContact CB-CD1 4.46Å; M21-L78 HydrophobicContact CE-CB 4.01Å; M21-L78 HydrophobicContact CE-CD1 3.33Å; M21-L78 HydrophobicContact CE-CG 4.26Å; Y56-L78 PolarHBondContact OH-O 3.46Å; D75-L78 WeakPolarHBondContact O-CB 2.93Å; D75-L78 PolarHBondContact O-N 2.98Å; L76-L78 PolarHBondContact O-N 3.35Å; L78-D80 PolarHBondContact O-N 2.75Å; L78-H81 PolarHBondContact O-CE1 3.48Å; L78-H81 PolarHBondContact O-ND1 3.19Å
79F72.4Confident70.6Confident0 Ų066.8 Ų66.80%034%0.338CS..G310 helixtrans-83.710179.4-61.7-80.8000114.1M21 Y56 F63 L64 L71 D75 L76 L77 H81 V82 R83 L92M21-F79 HydrophobicContact CE-CD2 4.47Å; M21-F79 HydrophobicContact CE-CE2 3.62Å; M21-F79 HydrophobicContact CE-CZ 4.03Å; M21-F79 HydrophobicContact SD-CZ 4.45Å; Y56-F79 AromaticContact CD2-CE1 3.74Å; Y56-F79 HydrophobicContact CD2-CE1 3.74Å; Y56-F79 HydrophobicContact CD2-CZ 4.11Å; Y56-F79 AromaticContact CE2-CD1 3.94Å; Y56-F79 HydrophobicContact CE2-CD1 3.94Å; Y56-F79 AromaticContact CE2-CE1 3.49Å; Y56-F79 HydrophobicContact CE2-CE1 3.49Å; Y56-F79 VanDerWaalsContact CE2-CE1 3.49Å; Y56-F79 AromaticContact CE2-CZ 3.9Å; Y56-F79 HydrophobicContact CE2-CZ 3.9Å; F63-F79 HydrophobicContact CD1-CE1 4.01Å; F63-F79 AromaticContact CD1-CZ 3.68Å; F63-F79 HydrophobicContact CD1-CZ 3.68Å; F63-F79 HydrophobicContact CE1-CE1 4.46Å; F63-F79 AromaticContact CE1-CZ 3.73Å; F63-F79 HydrophobicContact CE1-CZ 3.73Å; L64-F79 HydrophobicContact CD1-CD1 3.69Å; L64-F79 HydrophobicContact CD1-CE1 4Å; L64-F79 HydrophobicContact CD1-CG 4.2Å; L64-F79 HydrophobicContact CD2-CD1 4.26Å; L64-F79 HydrophobicContact CD2-CD2 4.2Å; L64-F79 HydrophobicContact CD2-CE1 4.23Å; L64-F79 HydrophobicContact CD2-CE2 4.15Å; L64-F79 HydrophobicContact CD2-CG 4.25Å; L64-F79 HydrophobicContact CD2-CZ 4.18Å; L64-F79 HydrophobicContact CG-CD1 3.95Å; L64-F79 HydrophobicContact CG-CE1 3.79Å; L64-F79 HydrophobicContact CG-CG 4.43Å; L64-F79 HydrophobicContact CG-CZ 4.13Å; L71-F79 HydrophobicContact CD1-CE2 3.86Å; L71-F79 HydrophobicContact CD1-CZ 4.16Å; L71-F79 HydrophobicContact CD2-CE2 4.09Å; L71-F79 HydrophobicContact CD2-CZ 4.47Å; D75-F79 WeakPolarHBondContact O-CD2 3.48Å; L76-F79 PolarHBondContact O-N 3.17Å; L77-F79 PolarHBondContact O-N 3.32Å; F79-H81 PolarHBondContact O-N 3.38Å; F79-H81 VanDerWaalsContact O-N 3.11Å; F79-V82 HydrophobicContact CB-CG2 4.25Å; F79-V82 HydrophobicContact CD1-CG2 4.06Å; F79-V82 PolarHBondContact O-N 2.91Å; F79-R83 PolarHBondContact O-N 2.54Å; F79-L92 HydrophobicContact CB-CD1 4.14Å; F79-L92 HydrophobicContact CB-CD2 3.85Å; F79-L92 HydrophobicContact CD2-CD2 4.29Å; F79-L92 HydrophobicContact CG-CD2 4.24Å
80D70.7Confident70.6Confident57 Ų5763.6 Ų63.631%0.30532%0.321SS..G310 helixtrans-57.6-28.4176.5-75.4-15.7000112.7L77 L78 V82 R83L77-D80 WeakPolarHBondContact O-CB 3.3Å; L77-D80 PolarHBondContact O-N 3.36Å; L78-D80 PolarHBondContact O-N 2.75Å; D80-V82 VanDerWaalsContact C-N 3.27Å; D80-V82 PolarHBondContact O-N 3.07Å; D80-R83 PolarHBondContact O-N 2.69Å; D80-R83 IonicContact OD1-CZ 2.75Å; D80-R83 IonicContact OD1-NE 3.91Å; D80-R83 PolarHBondContact OD1-NE 2.72Å; D80-R83 IonicContact OD1-NH2 3.79Å; D80-R83 PolarHBondContact OD1-NH2 2.84Å
81H72.1Confident70.4Confident112 Ų11263 Ų6352%0.51932%0.318SS..G310 helixtrans-72.8-14.9176.271-73.2000114.4Y56 L78 F79Y56-H81 AromaticContact CZ-CE1 3.47Å; Y56-H81 VanDerWaalsContact CZ-CE1 3.47Å; Y56-H81 PolarHBondContact OH-CE1 3.37Å; L78-H81 PolarHBondContact O-CE1 3.48Å; L78-H81 PolarHBondContact O-ND1 3.19Å; F79-H81 PolarHBondContact O-N 3.38Å; F79-H81 VanDerWaalsContact O-N 3.11Å
82V68.9Low70.3Confident7 Ų762.2 Ų62.24%0.04231%0.314CS..G310 helixtrans-104.4-6.2-179.9-144.60000111.8P60 F79 D80 G84 M85 A88P60-V82 HydrophobicContact CB-CB 4.49Å; P60-V82 HydrophobicContact CB-CG1 3.9Å; P60-V82 HydrophobicContact CB-CG2 3.73Å; P60-V82 HydrophobicContact CG-CG1 3.62Å; P60-V82 HydrophobicContact CG-CG2 4.08Å; F79-V82 HydrophobicContact CB-CG2 4.25Å; F79-V82 HydrophobicContact CD1-CG2 4.06Å; F79-V82 PolarHBondContact O-N 2.91Å; D80-V82 VanDerWaalsContact C-N 3.27Å; D80-V82 PolarHBondContact O-N 3.07Å; V82-G84 PolarHBondContact O-N 3.44Å; V82-M85 HydrophobicContact CG1-CG 4.24Å; V82-M85 HydrophobicContact CG1-SD 4.49Å; V82-M85 PolarHBondContact O-N 3.17Å; V82-A88 HydrophobicContact CB-CB 4.07Å; V82-A88 HydrophobicContact CG1-CB 3.75Å
83R66.4Low70.1Confident135 Ų13564.9 Ų64.951%0.50932%0.318SS..THydrogen-bonded Turntrans-57.1131.1175.8-75.9-178.5-178-1350.6109.9F79 D80 D89 L92 Y96F79-R83 PolarHBondContact O-N 2.54Å; D80-R83 PolarHBondContact O-N 2.69Å; D80-R83 IonicContact OD1-CZ 2.75Å; D80-R83 IonicContact OD1-NE 3.91Å; D80-R83 PolarHBondContact OD1-NE 2.72Å; D80-R83 IonicContact OD1-NH2 3.79Å; D80-R83 PolarHBondContact OD1-NH2 2.84Å; R83-D89 WeakPolarHBondContact CA-OD1 3.33Å; R83-L92 HydrophobicContact CG-CD1 4.23Å; R83-Y96 PolarHBondContact NH2-OH 3.41Å
84G65.5Low70Confident63 Ų6366 Ų6665%0.64932%0.324SS*.THydrogen-bonded Turntrans104.1-14.3-176.200000114.2V82 D89V82-G84 PolarHBondContact O-N 3.44Å; G84-D89 PolarHBondContact N-OD1 3Å; G84-D89 PolarHBondContact N-OD2 3.36Å
85M71Confident69.6Low114 Ų11461.5 Ų61.556%0.56230%0.301SS*.  trans-78.8124.4164.8-58-142.684.600109V82 E87 A88 D89V82-M85 HydrophobicContact CG1-CG 4.24Å; V82-M85 HydrophobicContact CG1-SD 4.49Å; V82-M85 PolarHBondContact O-N 3.17Å; M85-E87 VanDerWaalsContact C-N 3.29Å; M85-E87 PolarHBondContact O-N 2.81Å; M85-A88 HydrophobicContact CB-CB 4.11Å; M85-A88 PolarHBondContact O-N 2.98Å; M85-D89 PolarHBondContact O-N 3.32Å
86Y70.7Confident69.2Low190 Ų19063.1 Ų63.175%0.74531%0.307SS*.Hα-helixtrans-50.3-45.9-176174.7-99.3000113.3F90Y86-F90 WeakPolarHBondContact O-CB 3.21Å; Y86-F90 PolarHBondContact O-N 2.95Å
87E71.8Confident68.6Low118 Ų11866.1 Ų66.155%0.55133%0.328SS*.Hα-helixtrans-63.5-47178.6-63.7175.4161.800111.8C61 M85 F90 F91C61-E87 HydrophobicContact CB-CB 4.07Å; C61-E87 WeakPolarHBondContact CB-OE2 3.45Å; M85-E87 VanDerWaalsContact C-N 3.29Å; M85-E87 PolarHBondContact O-N 2.81Å; E87-F90 WeakPolarHBondContact O-CB 3.42Å; E87-F90 PolarHBondContact O-N 3.19Å; E87-F91 HydrophobicContact CB-CE2 4.46Å; E87-F91 WeakPolarHBondContact O-CD2 3.39Å; E87-F91 PolarHBondContact O-N 3.02Å; E87-F91 VanDerWaalsContact O-N 3.17Å
88A68.6Low67.8Low0 Ų068.1 Ų68.10%033%0.333CS..Hα-helixtrans-64.5-44.6179.200000111.2L64 V82 M85 F90 F91 L92L64-A88 HydrophobicContact CD1-CB 4.01Å; V82-A88 HydrophobicContact CB-CB 4.07Å; V82-A88 HydrophobicContact CG1-CB 3.75Å; M85-A88 HydrophobicContact CB-CB 4.11Å; M85-A88 PolarHBondContact O-N 2.98Å; A88-F90 VanDerWaalsContact C-N 3.28Å; A88-F90 PolarHBondContact O-N 2.83Å; A88-F91 PolarHBondContact O-N 2.94Å; A88-L92 VanDerWaalsContact O-CB 3.27Å; A88-L92 WeakPolarHBondContact O-CB 3.19Å; A88-L92 WeakPolarHBondContact O-CG 3.27Å; A88-L92 PolarHBondContact O-N 3.02Å
89D69.4Low66.9Low68 Ų6868.8 Ų68.836%0.36434%0.338SS..Hα-helixtrans-62-36.8177.3-81.37.1000111.7R83 G84 M85 R93R83-D89 WeakPolarHBondContact CA-OD1 3.33Å; G84-D89 PolarHBondContact N-OD1 3Å; G84-D89 PolarHBondContact N-OD2 3.36Å; M85-D89 PolarHBondContact O-N 3.32Å; D89-R93 WeakPolarHBondContact O-CB 3.37Å; D89-R93 PolarHBondContact O-N 2.95Å
90F72.8Confident65.9Low111 Ų11170 Ų7049%0.48734%0.344SS..Hα-helixtrans-60.2-52.3174176.4-94.4000111.5Y86 E87 A88 R93 S94Y86-F90 WeakPolarHBondContact O-CB 3.21Å; Y86-F90 PolarHBondContact O-N 2.95Å; E87-F90 WeakPolarHBondContact O-CB 3.42Å; E87-F90 PolarHBondContact O-N 3.19Å; A88-F90 VanDerWaalsContact C-N 3.28Å; A88-F90 PolarHBondContact O-N 2.83Å; F90-R93 PolarHBondContact O-N 3.24Å; F90-S94 PolarHBondContact O-N 2.88Å; F90-S94 PolarHBondContact O-OG 2.95Å
91F67.5Low65.1Low35 Ų3573.1 Ų73.115%0.15436%0.36CS..Hα-helixtrans-68.4-43.9-179.9-64.5-63000112.3L64 S65 E68 E87 A88 R93 S94 C95L64-F91 HydrophobicContact CB-CB 4.02Å; L64-F91 HydrophobicContact CB-CD2 4.27Å; L64-F91 HydrophobicContact CB-CG 4.34Å; L64-F91 HydrophobicContact CD2-CB 4.49Å; S65-F91 VanDerWaalsContact CB-CZ 3.46Å; E68-F91 WeakPolarHBondContact OE2-CD1 3.03Å; E87-F91 HydrophobicContact CB-CE2 4.46Å; E87-F91 WeakPolarHBondContact O-CD2 3.39Å; E87-F91 PolarHBondContact O-N 3.02Å; E87-F91 VanDerWaalsContact O-N 3.17Å; A88-F91 PolarHBondContact O-N 2.94Å; F91-R93 VanDerWaalsContact C-N 3.27Å; F91-R93 PolarHBondContact O-N 3.35Å; F91-S94 WeakPolarHBondContact O-CB 3.45Å; F91-S94 PolarHBondContact O-N 3.18Å; F91-S94 VanDerWaalsContact O-N 3.12Å; F91-C95 PolarHBondContact O-N 3.27Å; F91-C95 PolarHBondContact O-SG 3.15Å; F91-C95 VanDerWaalsContact O-SG 3.41Å
92L71Confident64Low5 Ų573.3 Ų73.33%0.02636%0.364CS..Hα-helixtrans-59.1-41.3175.9-71.9175.5000110.8L64 L76 F79 R83 A88 C95 Y96L64-L92 HydrophobicContact CD1-CG 4.44Å; L64-L92 HydrophobicContact CD2-CD2 3.74Å; L64-L92 HydrophobicContact CD2-CG 4.27Å; L76-L92 HydrophobicContact CD2-CD2 3.85Å; F79-L92 HydrophobicContact CB-CD1 4.14Å; F79-L92 HydrophobicContact CB-CD2 3.85Å; F79-L92 HydrophobicContact CD2-CD2 4.29Å; F79-L92 HydrophobicContact CG-CD2 4.24Å; R83-L92 HydrophobicContact CG-CD1 4.23Å; A88-L92 VanDerWaalsContact O-CB 3.27Å; A88-L92 WeakPolarHBondContact O-CB 3.19Å; A88-L92 WeakPolarHBondContact O-CG 3.27Å; A88-L92 PolarHBondContact O-N 3.02Å; L92-C95 CarbonylContact O-C 3.06Å; L92-C95 PolarHBondContact O-N 3.41Å; L92-Y96 HydrophobicContact CB-CD2 4.29Å; L92-Y96 HydrophobicContact CB-CE2 4.22Å; L92-Y96 WeakPolarHBondContact O-CB 3.44Å; L92-Y96 WeakPolarHBondContact O-CD2 3.5Å; L92-Y96 PolarHBondContact O-N 3.39Å
93R68.1Low63.2Low107 Ų10779.3 Ų79.340%0.40439%0.39SS..Hα-helixtrans-66.6-37.6176.4-176.8178.3172.31728.7112.3D89 F90 F91 C95 Y96 S97 K116D89-R93 WeakPolarHBondContact O-CB 3.37Å; D89-R93 PolarHBondContact O-N 2.95Å; F90-R93 PolarHBondContact O-N 3.24Å; F91-R93 VanDerWaalsContact C-N 3.27Å; F91-R93 PolarHBondContact O-N 3.35Å; R93-C95 VanDerWaalsContact C-N 3.34Å; R93-Y96 PolarHBondContact O-N 3.28Å; R93-S97 VanDerWaalsContact O-CB 3.27Å; R93-S97 WeakPolarHBondContact O-CB 3.4Å; R93-S97 PolarHBondContact O-N 3.47Å; R93-K116 VanDerWaalsContact NH1-NZ 3.14Å
94S65.7Low62.4Low52 Ų5284.2 Ų84.236%0.36441%0.408SS..Hα-helixtrans-60.6-45.1171.8-64.60000111F90 F91 S97 F98F90-S94 PolarHBondContact O-N 2.88Å; F90-S94 PolarHBondContact O-OG 2.95Å; F91-S94 WeakPolarHBondContact O-CB 3.45Å; F91-S94 PolarHBondContact O-N 3.18Å; F91-S94 VanDerWaalsContact O-N 3.12Å; S94-S97 PolarHBondContact O-N 3.5Å; S94-F98 PolarHBondContact O-N 2.74Å
95C62.6Low61.6Low15 Ų1587.3 Ų87.310%0.10140%0.4CS..Hα-helixtrans-64.4-45.9174.5-65.20000112.2L76 F91 L92 R93 S97 F98 V99L76-C95 HydrophobicContact CD1-CB 3.97Å; L76-C95 HydrophobicContact CD2-CB 3.71Å; F91-C95 PolarHBondContact O-N 3.27Å; F91-C95 PolarHBondContact O-SG 3.15Å; F91-C95 VanDerWaalsContact O-SG 3.41Å; L92-C95 CarbonylContact O-C 3.06Å; L92-C95 PolarHBondContact O-N 3.41Å; R93-C95 VanDerWaalsContact C-N 3.34Å; C95-S97 VanDerWaalsContact C-N 3.32Å; C95-S97 PolarHBondContact O-N 3.49Å; C95-F98 PolarHBondContact O-N 3.03Å; C95-V99 VanDerWaalsContact O-CB 3.29Å; C95-V99 WeakPolarHBondContact O-CB 3.49Å; C95-V99 WeakPolarHBondContact O-CG2 3.28Å; C95-V99 PolarHBondContact O-N 3.42Å
96Y63.8Low60.5Low39 Ų3985.8 Ų85.815%0.15339%0.394CS..Hα-helixtrans-62.2-40.7176.4-79.8-61.3000111L76 R83 L92 R93 F98 V99 L100L76-Y96 HydrophobicContact CB-CE1 4.33Å; L76-Y96 HydrophobicContact CD1-CD1 3.96Å; L76-Y96 HydrophobicContact CD1-CE1 3.81Å; L76-Y96 HydrophobicContact CD1-CG 4.36Å; R83-Y96 PolarHBondContact NH2-OH 3.41Å; L92-Y96 HydrophobicContact CB-CD2 4.29Å; L92-Y96 HydrophobicContact CB-CE2 4.22Å; L92-Y96 WeakPolarHBondContact O-CB 3.44Å; L92-Y96 WeakPolarHBondContact O-CD2 3.5Å; L92-Y96 PolarHBondContact O-N 3.39Å; R93-Y96 PolarHBondContact O-N 3.28Å; Y96-F98 VanDerWaalsContact C-N 3.33Å; Y96-F98 PolarHBondContact O-N 2.8Å; Y96-V99 PolarHBondContact O-N 3.12Å; Y96-L100 WeakPolarHBondContact O-CB 3.37Å; Y96-L100 WeakPolarHBondContact O-CG 3.4Å; Y96-L100 PolarHBondContact O-N 2.91Å
97S57.3Low59.4Low65 Ų6578.2 Ų78.246%0.45537%0.368SS..Hα-helixtrans-58.9-47.2174.8-1730000110.6R93 S94 C95 L100 I101R93-S97 VanDerWaalsContact O-CB 3.27Å; R93-S97 WeakPolarHBondContact O-CB 3.4Å; R93-S97 PolarHBondContact O-N 3.47Å; S94-S97 PolarHBondContact O-N 3.5Å; C95-S97 VanDerWaalsContact C-N 3.32Å; C95-S97 PolarHBondContact O-N 3.49Å; S97-L100 PolarHBondContact O-N 3.21Å; S97-I101 WeakPolarHBondContact O-CD1 3.48Å; S97-I101 WeakPolarHBondContact O-CG1 3.36Å; S97-I101 PolarHBondContact O-N 2.91Å
98F55.1Low58.2Low128 Ų12879.8 Ų79.856%0.56137%0.37SS*.Hα-helixtrans-63.8-45.7177.2-171.7-101.9000112.8S94 C95 Y96 L100 I101 L102S94-F98 PolarHBondContact O-N 2.74Å; C95-F98 PolarHBondContact O-N 3.03Å; Y96-F98 VanDerWaalsContact C-N 3.33Å; Y96-F98 PolarHBondContact O-N 2.8Å; F98-L100 PolarHBondContact O-N 3.42Å; F98-I101 WeakPolarHBondContact O-CB 3.02Å; F98-I101 PolarHBondContact O-N 3.2Å; F98-L102 HydrophobicContact CD1-CD1 3.82Å; F98-L102 HydrophobicContact CD1-CG 4.43Å; F98-L102 HydrophobicContact CE1-CD1 3.39Å; F98-L102 HydrophobicContact CE1-CG 4.12Å; F98-L102 HydrophobicContact CZ-CD1 4.06Å; F98-L102 HydrophobicContact CZ-CG 4.43Å; F98-L102 PolarHBondContact O-N 3.18Å
99V53.9Low57.3Low24 Ų2484.3 Ų84.315%0.14539%0.392CS..Hα-helixtrans-61.2-44176.2166.60000110.6A73 L76 C95 Y96 I101 L102 F103A73-V99 HydrophobicContact CB-CG1 3.68Å; A73-V99 HydrophobicContact CB-CG2 4Å; L76-V99 HydrophobicContact CD1-CG2 4.21Å; C95-V99 VanDerWaalsContact O-CB 3.29Å; C95-V99 WeakPolarHBondContact O-CB 3.49Å; C95-V99 WeakPolarHBondContact O-CG2 3.28Å; C95-V99 PolarHBondContact O-N 3.42Å; Y96-V99 PolarHBondContact O-N 3.12Å; V99-I101 VanDerWaalsContact C-N 3.33Å; V99-I101 PolarHBondContact O-N 2.96Å; V99-L102 PolarHBondContact O-N 3.38Å; V99-L102 VanDerWaalsContact O-N 3.15Å; V99-F103 HydrophobicContact CB-CD2 4.47Å; V99-F103 HydrophobicContact CG1-CD2 3.51Å; V99-F103 HydrophobicContact CG1-CE2 3.79Å; V99-F103 VanDerWaalsContact O-CD2 3.24Å; V99-F103 WeakPolarHBondContact O-CD2 3.48Å; V99-F103 PolarHBondContact O-N 3.48Å
100L51Low56.3Low25 Ų2584.6 Ų84.613%0.13139%0.393CS..Hα-helixtrans-64.8-38177.7-71.4172.6000112.1Y96 S97 F98 L102 R104 L110 I112Y96-L100 WeakPolarHBondContact O-CB 3.37Å; Y96-L100 WeakPolarHBondContact O-CG 3.4Å; Y96-L100 PolarHBondContact O-N 2.91Å; S97-L100 PolarHBondContact O-N 3.21Å; F98-L100 PolarHBondContact O-N 3.42Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-R104 PolarHBondContact O-N 3.23Å; L100-L110 HydrophobicContact CD2-CD1 3.77Å; L100-I112 HydrophobicContact CD1-CD1 3.49Å; L100-I112 VanDerWaalsContact CD1-CD1 3.49Å; L100-I112 HydrophobicContact CD1-CG1 4.36Å
101I52.8Low55Low123 Ų12382.3 Ų82.363%0.63140%0.4SS*.Hα-helixtrans-60.8-44.9172.4-67.7160.6000110S97 F98 V99S97-I101 WeakPolarHBondContact O-CD1 3.48Å; S97-I101 WeakPolarHBondContact O-CG1 3.36Å; S97-I101 PolarHBondContact O-N 2.91Å; F98-I101 WeakPolarHBondContact O-CB 3.02Å; F98-I101 PolarHBondContact O-N 3.2Å; V99-I101 VanDerWaalsContact C-N 3.33Å; V99-I101 PolarHBondContact O-N 2.96Å
102L49.7Very low54Low116 Ų11683.4 Ų83.461%0.60741%0.407SS*.Hα-helixtrans-68.5-46.1179.7-75.8177000113.7F98 V99 L100 R104F98-L102 HydrophobicContact CD1-CD1 3.82Å; F98-L102 HydrophobicContact CD1-CG 4.43Å; F98-L102 HydrophobicContact CE1-CD1 3.39Å; F98-L102 HydrophobicContact CE1-CG 4.12Å; F98-L102 HydrophobicContact CZ-CD1 4.06Å; F98-L102 HydrophobicContact CZ-CG 4.43Å; F98-L102 PolarHBondContact O-N 3.18Å; V99-L102 PolarHBondContact O-N 3.38Å; V99-L102 VanDerWaalsContact O-N 3.15Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 3.07Å
103F52.5Low52.8Low133 Ų13389 Ų8958%0.58343%0.433SS*.Hα-helixtrans-79.5-2.5-174.4-78.3-78.1000113.6A73 V99 R105A73-F103 HydrophobicContact CB-CE2 3.88Å; A73-F103 HydrophobicContact CB-CZ 4.44Å; V99-F103 HydrophobicContact CB-CD2 4.47Å; V99-F103 HydrophobicContact CG1-CD2 3.51Å; V99-F103 HydrophobicContact CG1-CE2 3.79Å; V99-F103 VanDerWaalsContact O-CD2 3.24Å; V99-F103 WeakPolarHBondContact O-CD2 3.48Å; V99-F103 PolarHBondContact O-N 3.48Å; F103-R105 HydrophobicContact CB-CB 4.12Å; F103-R105 PolarHBondContact O-N 3.37Å
104R48.7Very low51.8Low238 Ų23891.8 Ų91.890%0.89845%0.448SS*.THydrogen-bonded Turntrans51.917.6-178.3-131.9-177.2-176.2123.60.2112.9L100 L102 N106L100-R104 PolarHBondContact O-N 3.23Å; L102-R104 PolarHBondContact O-N 3.07Å; R104-N106 PolarHBondContact O-N 2.84Å
105R49.5Very low51.1Low127 Ų12796.6 Ų96.648%0.47946%0.462SS..  trans-82.3117.2-170.7-165.3169.1150.680.77.9105.4F103 E109 L110F103-R105 HydrophobicContact CB-CB 4.12Å; F103-R105 PolarHBondContact O-N 3.37Å; R105-E109 IonicContact CZ-OE2 2.54Å; R105-E109 VanDerWaalsContact CZ-OE2 3.24Å; R105-E109 IonicContact NH1-OE2 3.36Å; R105-E109 PolarHBondContact NH1-OE2 2.98Å; R105-E109 IonicContact NH2-OE2 3.59Å; R105-E109 PolarHBondContact NH2-OE2 3.07Å; R105-L110 HydrophobicContact CG-CD1 4.43Å
106N47Very low50.8Low82 Ų82103.2 Ų103.244%0.43949%0.489SS..  trans-63.7128.5-167166.413.5000108.1R104 Y108 E109R104-N106 PolarHBondContact O-N 2.84Å; N106-Y108 VanDerWaalsContact C-CD1 3.41Å; N106-Y108 HydrophobicContact CB-CD1 3.45Å; N106-Y108 VanDerWaalsContact CB-CD1 3.45Å; N106-Y108 HydrophobicContact CB-CE1 3.18Å; N106-Y108 WeakPolarHBondContact ND2-CD1 3.25Å; N106-Y108 WeakPolarHBondContact ND2-CE1 3.29Å; N106-Y108 WeakPolarHBondContact O-CD1 3.03Å; N106-Y108 WeakPolarHBondContact O-CE1 3.44Å; N106-Y108 PolarHBondContact O-N 3.11Å; N106-Y108 VanDerWaalsContact O-N 3.12Å; N106-Y108 WeakPolarHBondContact OD1-CD1 3.27Å; N106-E109 PolarHBondContact O-N 2.91Å; N106-E109 VanDerWaalsContact O-N 3.09Å
107P47.9Very low50.6Low31 Ų31109 Ų10920%0.20152%0.523CS..G310 helixtrans-64.3-17.5-167.317.5-30000115.3E109 L110 G111 I112 K114P107-E109 PolarHBondContact O-N 3.01Å; P107-L110 PolarHBondContact O-N 2.78Å; P107-G111 PolarHBondContact O-N 3.42Å; P107-I112 PolarHBondContact O-N 3.45Å; P107-K114 HydrophobicContact CG-CG 4.31Å
108Y47.1Very low51.2Low152 Ų152115 Ų11560%0.59654%0.536SS*.G310 helixtrans-52.5-37167.776.4-46.8000113.4N106 L110 G111N106-Y108 VanDerWaalsContact C-CD1 3.41Å; N106-Y108 HydrophobicContact CB-CD1 3.45Å; N106-Y108 VanDerWaalsContact CB-CD1 3.45Å; N106-Y108 HydrophobicContact CB-CE1 3.18Å; N106-Y108 WeakPolarHBondContact ND2-CD1 3.25Å; N106-Y108 WeakPolarHBondContact ND2-CE1 3.29Å; N106-Y108 WeakPolarHBondContact O-CD1 3.03Å; N106-Y108 WeakPolarHBondContact O-CE1 3.44Å; N106-Y108 PolarHBondContact O-N 3.11Å; N106-Y108 VanDerWaalsContact O-N 3.12Å; N106-Y108 WeakPolarHBondContact OD1-CD1 3.27Å; Y108-L110 VanDerWaalsContact C-N 3.25Å; Y108-L110 PolarHBondContact O-N 3.39Å; Y108-G111 PolarHBondContact O-N 2.73Å
109E51Low52.1Low95 Ų95110.4 Ų110.444%0.44452%0.518SS..G310 helixtrans-71.4-17.8-178.8-90.1174.4-137.700113.5R105 N106 P107R105-E109 IonicContact CZ-OE2 2.54Å; R105-E109 VanDerWaalsContact CZ-OE2 3.24Å; R105-E109 IonicContact NH1-OE2 3.36Å; R105-E109 PolarHBondContact NH1-OE2 2.98Å; R105-E109 IonicContact NH2-OE2 3.59Å; R105-E109 PolarHBondContact NH2-OE2 3.07Å; N106-E109 PolarHBondContact O-N 2.91Å; N106-E109 VanDerWaalsContact O-N 3.09Å; P107-E109 PolarHBondContact O-N 3.01Å
110L47.6Very low53.5Low74 Ų74112.1 Ų112.139%0.38753%0.532SS..G310 helixtrans-107.88.5176.7-82.9102.2000113.7L100 R105 P107 Y108 I112L100-L110 HydrophobicContact CD2-CD1 3.77Å; R105-L110 HydrophobicContact CG-CD1 4.43Å; P107-L110 PolarHBondContact O-N 2.78Å; Y108-L110 VanDerWaalsContact C-N 3.25Å; Y108-L110 PolarHBondContact O-N 3.39Å; L110-I112 HydrophobicContact CB-CG1 4.14Å; L110-I112 PolarHBondContact O-N 3.45Å
111G44.5Very low55.1Low62 Ų62117.1 Ų117.164%0.63956%0.559SS**THydrogen-bonded Turntrans63.313.5179.300000114P107 Y108 E113P107-G111 PolarHBondContact O-N 3.42Å; Y108-G111 PolarHBondContact O-N 2.73Å; G111-E113 VanDerWaalsContact C-N 3.26Å; G111-E113 PolarHBondContact O-N 3.37Å
112I46.9Very low56.7Low59 Ų59115.5 Ų115.530%0.30355%0.554SS.*  trans-79.885.9174.3-49.6-163.7000106.5L100 P107 L110 K114L100-I112 HydrophobicContact CD1-CD1 3.49Å; L100-I112 VanDerWaalsContact CD1-CD1 3.49Å; L100-I112 HydrophobicContact CD1-CG1 4.36Å; P107-I112 PolarHBondContact O-N 3.45Å; L110-I112 HydrophobicContact CB-CG1 4.14Å; L110-I112 PolarHBondContact O-N 3.45Å; I112-K114 PolarHBondContact O-N 3.03Å
113E46.9Very low58.5Low122 Ų122113.8 Ų113.857%0.5754%0.543SS*.  trans-51.8124.6175-64.4-172.1164.500108.9G111 K115G111-E113 VanDerWaalsContact C-N 3.26Å; G111-E113 PolarHBondContact O-N 3.37Å; E113-K115 HydrophobicContact CB-CB 4.41Å; E113-K115 HydrophobicContact CB-CG 4.23Å; E113-K115 PolarHBondContact O-N 2.79Å; E113-K115 IonicContact OE1-NZ 3.24Å; E113-K115 WeakPolarHBondContact OE2-CD 3.06Å; E113-K115 WeakPolarHBondContact OE2-CE 3.2Å; E113-K115 IonicContact OE2-NZ 2.83Å; E113-K115 PolarHBondContact OE2-NZ 3.21Å
114K46.6Very low60.3Low166 Ų166108.2 Ų108.272%0.72252%0.519SS*.G310 helixtrans-64.524.2173.2-70-169.6178.6-179.30113.2P107 I112 K116P107-K114 HydrophobicContact CG-CG 4.31Å; I112-K114 PolarHBondContact O-N 3.03Å; K114-K116 VanDerWaalsContact C-N 3.26Å; K114-K116 PolarHBondContact O-N 2.95Å
115K51.1Low62.2Low153 Ų153102.6 Ų102.667%0.66550%0.501SS*.G310 helixtrans-67.5-18.5-176.5-84-171.1-175.21450114.2E113E113-K115 HydrophobicContact CB-CB 4.41Å; E113-K115 HydrophobicContact CB-CG 4.23Å; E113-K115 PolarHBondContact O-N 2.79Å; E113-K115 IonicContact OE1-NZ 3.24Å; E113-K115 WeakPolarHBondContact OE2-CD 3.06Å; E113-K115 WeakPolarHBondContact OE2-CE 3.2Å; E113-K115 IonicContact OE2-NZ 2.83Å; E113-K115 PolarHBondContact OE2-NZ 3.21Å
116K55.1Low64.2Low153 Ų15398.1 Ų98.167%0.66549%0.487SS*.G310 helixtrans-79.9-23.3-174.5-88-145-176.7173.50116.3R93 K114R93-K116 VanDerWaalsContact NH1-NZ 3.14Å; K114-K116 VanDerWaalsContact C-N 3.26Å; K114-K116 PolarHBondContact O-N 2.95Å
117N60.7Low66.3Low161 Ų16194.8 Ų94.886%0.86147%0.468SS*.THydrogen-bonded Turntrans-94.5-16.2-176.7-73.916.8000113.4
118R69.1Low68.5Low192 Ų19295 Ų9573%0.72547%0.465SS*.SBendtrans-83.8128.9173.6-172.2179.6174.6-178.7-1.9108.1S120R118-S120 PolarHBondContact O-N 3.33Å
119P73.8Confident70.7Confident30 Ų3091.3 Ų91.320%0.19545%0.45CS..PPolyproline II helixtrans-53137170.6-23.933.5000110.3Q123 I124P119-Q123 HydrophobicContact CB-CB 4.12Å; P119-I124 HydrophobicContact CB-CG1 3.89Å
120S83.8Confident72.7Confident61 Ų6188.2 Ų88.243%0.42744%0.438SS..PPolyproline II helixtrans-58.3153.7170.2179.10000110.1R118 V122 Q123 I124R118-S120 PolarHBondContact O-N 3.33Å; S120-V122 PolarHBondContact O-N 3.18Å; S120-Q123 WeakPolarHBondContact O-CA 3.2Å; S120-Q123 WeakPolarHBondContact O-CB 3.47Å; S120-Q123 PolarHBondContact O-N 3.32Å; S120-I124 PolarHBondContact O-N 3.4Å
121D85.7Confident74.9Confident130 Ų13086 Ų8670%0.69543%0.426SS*.Hα-helixtrans-54.8-36.9174.1-169.449.8000111.7Q123 I124 K125D121-Q123 PolarHBondContact O-N 2.92Å; D121-I124 PolarHBondContact O-N 3.06Å; D121-K125 WeakPolarHBondContact O-CB 3.33Å; D121-K125 PolarHBondContact O-N 3.31Å
122V85.7Confident77.2Confident89 Ų8983.5 Ų83.554%0.53940%0.397SS..Hα-helixtrans-62.1-43.5173.1-179.80000111.4S120 K125 N126S120-V122 PolarHBondContact O-N 3.18Å; V122-K125 PolarHBondContact O-N 2.87Å; V122-N126 WeakPolarHBondContact O-CB 3.49Å; V122-N126 PolarHBondContact O-N 3.38Å; V122-N126 PolarHBondContact O-OD1 3.45Å
123Q87Confident79.4Confident79 Ų7987.4 Ų87.437%0.36941%0.408SS..Hα-helixtrans-66.5-41.5178.4-68.1176.8-68.300111.3P119 S120 D121 K125 N126 R127P119-Q123 HydrophobicContact CB-CB 4.12Å; S120-Q123 WeakPolarHBondContact O-CA 3.2Å; S120-Q123 WeakPolarHBondContact O-CB 3.47Å; S120-Q123 PolarHBondContact O-N 3.32Å; D121-Q123 PolarHBondContact O-N 2.92Å; Q123-K125 PolarHBondContact O-N 3.32Å; Q123-N126 PolarHBondContact O-N 3.31Å; Q123-R127 WeakPolarHBondContact O-CB 3.33Å; Q123-R127 VanDerWaalsContact O-CG 3.26Å; Q123-R127 WeakPolarHBondContact O-CG 3.33Å; Q123-R127 PolarHBondContact O-N 3.24Å
124I90.4Very high81.6Confident17 Ų1785.2 Ų85.29%0.08740%0.398CS..Hα-helixtrans-59.2-49175.5-66.9174.4000109.9P119 S120 D121 N126 R127 R128 D262P119-I124 HydrophobicContact CB-CG1 3.89Å; S120-I124 PolarHBondContact O-N 3.4Å; D121-I124 PolarHBondContact O-N 3.06Å; I124-N126 VanDerWaalsContact C-N 3.32Å; I124-N126 PolarHBondContact O-N 3.05Å; I124-R127 PolarHBondContact O-N 3.42Å; I124-R128 HydrophobicContact CG2-CG 4.47Å; I124-R128 VanDerWaalsContact CG2-NE 3.34Å; I124-R128 WeakPolarHBondContact O-CB 3.16Å; I124-R128 VanDerWaalsContact O-CG 3.31Å; I124-R128 WeakPolarHBondContact O-CG 3.21Å; I124-R128 PolarHBondContact O-N 3.26Å; I124-D262 HydrophobicContact CG2-CB 4.47Å; I124-D262 WeakPolarHBondContact CG2-OD1 3.34Å
125K90Very high83.9Confident120 Ų12078.3 Ų78.352%0.52237%0.369SS..Hα-helixtrans-62-40.4179-164.6174.1-176.8179.30112D121 V122 Q123 R128 Y129D121-K125 WeakPolarHBondContact O-CB 3.33Å; D121-K125 PolarHBondContact O-N 3.31Å; V122-K125 PolarHBondContact O-N 2.87Å; Q123-K125 PolarHBondContact O-N 3.32Å; K125-R128 PolarHBondContact O-N 3.44Å; K125-Y129 WeakPolarHBondContact O-CB 3.04Å; K125-Y129 PolarHBondContact O-N 3.28Å
126N89.8Confident85.9Confident32 Ų3274.5 Ų74.517%0.17136%0.355CS..Hα-helixtrans-65.6-43.4176.1-70.8-2.8000111.8V122 Q123 I124 Y129 T130V122-N126 WeakPolarHBondContact O-CB 3.49Å; V122-N126 PolarHBondContact O-N 3.38Å; V122-N126 PolarHBondContact O-OD1 3.45Å; Q123-N126 PolarHBondContact O-N 3.31Å; I124-N126 VanDerWaalsContact C-N 3.32Å; I124-N126 PolarHBondContact O-N 3.05Å; N126-Y129 WeakPolarHBondContact O-CB 3.43Å; N126-Y129 PolarHBondContact O-N 3.24Å; N126-T130 PolarHBondContact O-N 3.27Å; N126-T130 PolarHBondContact O-OG1 2.83Å; N126-T130 VanDerWaalsContact O-OG1 3.09Å
127R92.3Very high87.8Confident13 Ų1371.9 Ų71.95%0.04936%0.356CS..Hα-helixtrans-59.8-48.3174.9-72.6173-174.4-159.7-13.4111.9Q123 I124 Y129 T130 K131 V261 D262 E263 Y267 D268Q123-R127 WeakPolarHBondContact O-CB 3.33Å; Q123-R127 VanDerWaalsContact O-CG 3.26Å; Q123-R127 WeakPolarHBondContact O-CG 3.33Å; Q123-R127 PolarHBondContact O-N 3.24Å; I124-R127 PolarHBondContact O-N 3.42Å; R127-Y129 VanDerWaalsContact C-N 3.29Å; R127-Y129 PolarHBondContact O-N 2.98Å; R127-T130 WeakPolarHBondContact O-CB 3.46Å; R127-T130 PolarHBondContact O-N 3.29Å; R127-K131 PolarHBondContact O-N 2.74Å; R127-V261 HydrophobicContact CB-CG1 4.22Å; R127-D262 WeakPolarHBondContact CD-O 3.19Å; R127-D262 PolarHBondContact NH1-O 3.46Å; R127-E263 VanDerWaalsContact NH1-C 3.29Å; R127-E263 PolarHBondContact NH1-O 3.22Å; R127-Y267 WeakPolarHBondContact CA-O 3.24Å; R127-D268 IonicContact CZ-OD1 3.93Å; R127-D268 VanDerWaalsContact CZ-OD1 3.3Å; R127-D268 IonicContact CZ-OD2 3.81Å; R127-D268 IonicContact NE-OD1 3.13Å; R127-D268 PolarHBondContact NE-OD1 3.45Å; R127-D268 IonicContact NH2-OD1 2.8Å; R127-D268 PolarHBondContact NH2-OD1 2.99Å; R127-D268 IonicContact NH2-OD2 3.94Å; R127-D268 PolarHBondContact NH2-OD2 2.88Å
128R93.1Very high89.4Confident34 Ų3470.8 Ų70.813%0.12834%0.344CS..Hα-helixtrans-60.5-40.1174.9-68.6176.6-173.8-177-2.3111.3I124 K125 K131 L132 F249 L250 S251 G252 Y258 V261 D262I124-R128 HydrophobicContact CG2-CG 4.47Å; I124-R128 VanDerWaalsContact CG2-NE 3.34Å; I124-R128 WeakPolarHBondContact O-CB 3.16Å; I124-R128 VanDerWaalsContact O-CG 3.31Å; I124-R128 WeakPolarHBondContact O-CG 3.21Å; I124-R128 PolarHBondContact O-N 3.26Å; K125-R128 PolarHBondContact O-N 3.44Å; R128-K131 PolarHBondContact O-N 3.49Å; R128-L132 WeakPolarHBondContact O-CB 3.48Å; R128-L132 PolarHBondContact O-N 3.41Å; R128-F249 HydrophobicContact CB-CE1 4.44Å; R128-F249 WeakPolarHBondContact O-CE1 3.2Å; R128-L250 HydrophobicContact CB-CD2 4.2Å; R128-L250 WeakPolarHBondContact CD-O 3.41Å; R128-L250 PolarHBondContact NH1-O 3.3Å; R128-L250 VanDerWaalsContact NH1-O 3.12Å; R128-S251 PolarHBondContact NH1-O 3.09Å; R128-S251 VanDerWaalsContact NH1-O 3.07Å; R128-G252 VanDerWaalsContact NH1-CA 3.27Å; R128-G252 VanDerWaalsContact NH1-N 3.19Å; R128-Y258 HydrophobicContact CG-CD1 4.25Å; R128-V261 HydrophobicContact CG-CG1 4.39Å; R128-D262 WeakPolarHBondContact CG-OD1 3.13Å; R128-D262 IonicContact CZ-OD1 3.82Å; R128-D262 IonicContact CZ-OD2 3.76Å; R128-D262 IonicContact NE-OD1 2.9Å; R128-D262 PolarHBondContact NE-OD1 3.03Å; R128-D262 IonicContact NE-OD2 3.24Å; R128-D262 IonicContact NH2-OD1 3.38Å; R128-D262 IonicContact NH2-OD2 3.93Å; R128-D262 PolarHBondContact NH2-OD2 2.93Å
129Y92.9Very high90.3Very high75 Ų7563.8 Ų63.829%0.29433%0.331SS..Hα-helixtrans-62.8-43.2176.1-175.2-104.8000112.9K125 N126 R127 K131 L132 R133 L250 L272K125-Y129 WeakPolarHBondContact O-CB 3.04Å; K125-Y129 PolarHBondContact O-N 3.28Å; N126-Y129 WeakPolarHBondContact O-CB 3.43Å; N126-Y129 PolarHBondContact O-N 3.24Å; R127-Y129 VanDerWaalsContact C-N 3.29Å; R127-Y129 PolarHBondContact O-N 2.98Å; Y129-K131 VanDerWaalsContact C-N 3.31Å; Y129-K131 PolarHBondContact O-N 3.45Å; Y129-L132 WeakPolarHBondContact O-CB 3.16Å; Y129-L132 PolarHBondContact O-N 2.99Å; Y129-R133 HydrophobicContact CE1-CG 4.26Å; Y129-R133 VanDerWaalsContact CZ-NE 3.27Å; Y129-R133 PolarHBondContact O-N 2.83Å; Y129-R133 VanDerWaalsContact OH-CZ 3.32Å; Y129-R133 PolarHBondContact OH-NE 3.18Å; Y129-R133 PolarHBondContact OH-NH2 3.32Å; Y129-L250 HydrophobicContact CD2-CD1 4.37Å; Y129-L250 HydrophobicContact CD2-CD2 4.16Å; Y129-L272 HydrophobicContact CD1-CD1 3.91Å; Y129-L272 HydrophobicContact CE1-CD1 4.06Å
130T93Very high91.2Very high30 Ų3069.1 Ų69.118%0.18435%0.353CS..Hα-helixtrans-57.6-46.1172.7-54.40000110.9N126 R127 R133 Q134 Y267N126-T130 PolarHBondContact O-N 3.27Å; N126-T130 PolarHBondContact O-OG1 2.83Å; N126-T130 VanDerWaalsContact O-OG1 3.09Å; R127-T130 WeakPolarHBondContact O-CB 3.46Å; R127-T130 PolarHBondContact O-N 3.29Å; T130-R133 PolarHBondContact O-N 3.26Å; T130-Q134 WeakPolarHBondContact O-CG 3.27Å; T130-Q134 PolarHBondContact O-N 3.09Å; T130-Y267 WeakPolarHBondContact CB-O 3.36Å; T130-Y267 HydrophobicContact CG2-CD1 4.13Å; T130-Y267 PolarHBondContact OG1-O 3.15Å
131K93.7Very high91.6Very high29 Ų2968 Ų6813%0.12634%0.34CS..Hα-helixtrans-63.6-43.4177.4-172.568168.6-170.10112.4R127 R128 Y129 R133 Q134 L135 F249 V261 Y267R127-K131 PolarHBondContact O-N 2.74Å; R128-K131 PolarHBondContact O-N 3.49Å; Y129-K131 VanDerWaalsContact C-N 3.31Å; Y129-K131 PolarHBondContact O-N 3.45Å; K131-R133 VanDerWaalsContact C-N 3.33Å; K131-R133 PolarHBondContact O-N 2.75Å; K131-Q134 WeakPolarHBondContact O-CB 3.39Å; K131-Q134 PolarHBondContact O-N 3.12Å; K131-Q134 VanDerWaalsContact O-N 3.12Å; K131-L135 HydrophobicContact CG-CD1 4.1Å; K131-L135 HydrophobicContact CG-CG 4.35Å; K131-L135 WeakPolarHBondContact O-CG 3.4Å; K131-L135 PolarHBondContact O-N 2.92Å; K131-F249 HydrophobicContact CB-CE1 4.42Å; K131-F249 HydrophobicContact CB-CZ 4.33Å; K131-F249 HydrophobicContact CG-CZ 4.01Å; K131-V261 HydrophobicContact CB-CG1 3.79Å; K131-V261 HydrophobicContact CB-CG2 4.22Å; K131-V261 HydrophobicContact CD-CG2 4.01Å; K131-V261 HydrophobicContact CG-CG1 4.31Å; K131-V261 HydrophobicContact CG-CG2 3.8Å; K131-Y267 HydrophobicContact CB-CD1 4.34Å; K131-Y267 HydrophobicContact CB-CE1 4.4Å; K131-Y267 HydrophobicContact CD-CD1 4.33Å; K131-Y267 HydrophobicContact CD-CE1 3.58Å; K131-Y267 PolarHBondContact NZ-OH 3Å
132L94.3Very high92Very high8 Ų862.8 Ų62.84%0.04231%0.311CS..Hα-helixtrans-56.3-47.3177.3176.6146.1000110.7R128 Y129 Q134 L135 I136 F142 H246 F249 L250R128-L132 WeakPolarHBondContact O-CB 3.48Å; R128-L132 PolarHBondContact O-N 3.41Å; Y129-L132 WeakPolarHBondContact O-CB 3.16Å; Y129-L132 PolarHBondContact O-N 2.99Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 2.96Å; L132-L135 PolarHBondContact O-N 3.19Å; L132-I136 HydrophobicContact CD2-CD1 3.4Å; L132-I136 VanDerWaalsContact CD2-CD1 3.4Å; L132-I136 HydrophobicContact CD2-CG1 4.37Å; L132-I136 HydrophobicContact CG-CD1 4.05Å; L132-I136 WeakPolarHBondContact O-CG1 3.44Å; L132-I136 PolarHBondContact O-N 2.81Å; L132-F142 HydrophobicContact CD1-CZ 4.32Å; L132-F142 HydrophobicContact CG-CE2 4.23Å; L132-F142 HydrophobicContact CG-CZ 4.35Å; L132-H246 HydrophobicContact CD1-CB 3.88Å; L132-F249 HydrophobicContact CB-CD1 3.75Å; L132-F249 HydrophobicContact CB-CE1 3.72Å; L132-F249 HydrophobicContact CD1-CB 4.29Å; L132-F249 HydrophobicContact CD1-CD1 3.76Å; L132-F249 HydrophobicContact CD1-CG 4.34Å; L132-F249 HydrophobicContact CG-CD1 4.23Å; L132-L250 HydrophobicContact CB-CD2 4.45Å; L132-L250 HydrophobicContact CD1-CD1 4.45Å; L132-L250 HydrophobicContact CD1-CD2 4.03Å; L132-L250 HydrophobicContact CD1-CG 3.94Å
133R92.8Very high92.3Very high141 Ų14160.3 Ų60.353%0.53230%0.297SS..Hα-helixtrans-59.2-42175.9-74.5-167.6174.4-170.84112.4Y129 T130 K131 I136 S137Y129-R133 HydrophobicContact CE1-CG 4.26Å; Y129-R133 VanDerWaalsContact CZ-NE 3.27Å; Y129-R133 PolarHBondContact O-N 2.83Å; Y129-R133 VanDerWaalsContact OH-CZ 3.32Å; Y129-R133 PolarHBondContact OH-NE 3.18Å; Y129-R133 PolarHBondContact OH-NH2 3.32Å; T130-R133 PolarHBondContact O-N 3.26Å; K131-R133 VanDerWaalsContact C-N 3.33Å; K131-R133 PolarHBondContact O-N 2.75Å; R133-I136 PolarHBondContact O-N 2.99Å; R133-S137 WeakPolarHBondContact O-CB 3.43Å; R133-S137 PolarHBondContact O-N 2.91Å
134Q92.6Very high92.4Very high77 Ų7758.9 Ų58.936%0.3629%0.293SS..Hα-helixtrans-62.8-44.3175.9-68.4179.35.400111.8T130 K131 L132 S137 K138T130-Q134 WeakPolarHBondContact O-CG 3.27Å; T130-Q134 PolarHBondContact O-N 3.09Å; K131-Q134 WeakPolarHBondContact O-CB 3.39Å; K131-Q134 PolarHBondContact O-N 3.12Å; K131-Q134 VanDerWaalsContact O-N 3.12Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 2.96Å; Q134-S137 PolarHBondContact O-N 3.38Å; Q134-S137 PolarHBondContact O-OG 2.91Å; Q134-K138 WeakPolarHBondContact O-CG 3.45Å; Q134-K138 PolarHBondContact O-N 3.21Å; Q134-K138 VanDerWaalsContact O-N 3.08Å
135L94.2Very high92.3Very high20 Ų2062.1 Ų62.111%0.10531%0.31CS..Hα-helixtrans-64.1-40.7179-70.2173.5000112.1K131 L132 K138 G139 Y141 F142 F249 F256K131-L135 HydrophobicContact CG-CD1 4.1Å; K131-L135 HydrophobicContact CG-CG 4.35Å; K131-L135 WeakPolarHBondContact O-CG 3.4Å; K131-L135 PolarHBondContact O-N 2.92Å; L132-L135 PolarHBondContact O-N 3.19Å; L135-K138 PolarHBondContact O-N 3.39Å; L135-G139 PolarHBondContact O-N 2.82Å; L135-G139 VanDerWaalsContact O-N 3.09Å; L135-Y141 HydrophobicContact CD1-CD1 3.85Å; L135-Y141 HydrophobicContact CD1-CE1 4.33Å; L135-Y141 HydrophobicContact CD1-CG 4.25Å; L135-Y141 HydrophobicContact CD2-CG 4.39Å; L135-F142 HydrophobicContact CB-CD2 3.91Å; L135-F142 HydrophobicContact CB-CE2 3.74Å; L135-F142 HydrophobicContact CD1-CE2 4.21Å; L135-F249 HydrophobicContact CD1-CE2 3.67Å; L135-F249 HydrophobicContact CD1-CZ 3.63Å; L135-F256 HydrophobicContact CD1-CE2 4.23Å
136I94.1Very high92.3Very high74 Ų7459.5 Ų59.538%0.37930%0.3SS..Hα-helixtrans-61.9-45.2173.6-67.2171.3000110.4L132 R133 K138 G139 F142 H246L132-I136 HydrophobicContact CD2-CD1 3.4Å; L132-I136 VanDerWaalsContact CD2-CD1 3.4Å; L132-I136 HydrophobicContact CD2-CG1 4.37Å; L132-I136 HydrophobicContact CG-CD1 4.05Å; L132-I136 WeakPolarHBondContact O-CG1 3.44Å; L132-I136 PolarHBondContact O-N 2.81Å; R133-I136 PolarHBondContact O-N 2.99Å; I136-K138 VanDerWaalsContact C-N 3.27Å; I136-K138 PolarHBondContact O-N 3.36Å; I136-G139 PolarHBondContact O-N 3.5Å; I136-G139 VanDerWaalsContact O-N 3.1Å; I136-F142 HydrophobicContact CG1-CD2 3.73Å; I136-F142 HydrophobicContact CG1-CE2 4.16Å; I136-F142 HydrophobicContact CG1-CG 4.43Å; I136-H246 WeakPolarHBondContact CD1-NE2 3.05Å
137S94.2Very high92.4Very high98 Ų9858 Ų5869%0.68529%0.292SS*.Hα-helixtrans-63.3-32.7-179.174.50000113.5R133 Q134R133-S137 WeakPolarHBondContact O-CB 3.43Å; R133-S137 PolarHBondContact O-N 2.91Å; Q134-S137 PolarHBondContact O-N 3.38Å; Q134-S137 PolarHBondContact O-OG 2.91Å
138K94.3Very high92.3Very high138 Ų13860.6 Ų60.660%0.630%0.304SS*.Hα-helixtrans-74.3-31.9174.8-70.6-178.2179-171.60112.2Q134 L135 I136 E140Q134-K138 WeakPolarHBondContact O-CG 3.45Å; Q134-K138 PolarHBondContact O-N 3.21Å; Q134-K138 VanDerWaalsContact O-N 3.08Å; L135-K138 PolarHBondContact O-N 3.39Å; I136-K138 VanDerWaalsContact C-N 3.27Å; I136-K138 PolarHBondContact O-N 3.36Å; K138-E140 VanDerWaalsContact C-N 3.27Å; K138-E140 PolarHBondContact O-N 2.93Å
139G89.7Confident92Very high44 Ų4467.3 Ų67.345%0.45433%0.33SS..THydrogen-bonded Turntrans74.87.317700000115.4L135 I136L135-G139 PolarHBondContact O-N 2.82Å; L135-G139 VanDerWaalsContact O-N 3.09Å; I136-G139 PolarHBondContact O-N 3.5Å; I136-G139 VanDerWaalsContact O-N 3.1Å
140E91.3Very high91.8Very high143 Ų14365.4 Ų65.467%0.66832%0.322SS*.SBendtrans-86.6-55.3-178.3-65.8176.1167.800111.6K138 S143 E146K138-E140 VanDerWaalsContact C-N 3.27Å; K138-E140 PolarHBondContact O-N 2.93Å; E140-S143 VanDerWaalsContact O-CB 3.29Å; E140-S143 WeakPolarHBondContact O-CB 3.26Å; E140-S143 PolarHBondContact O-N 2.92Å; E140-S143 PolarHBondContact O-OG 2.94Å; E140-E146 WeakPolarHBondContact O-CG 3.29Å
141Y93.2Very high91.7Very high36 Ų3665.7 Ų65.714%0.14132%0.321CS..THydrogen-bonded Turntrans-72.7-36.8-171.1-172.8-102.7000114L135 S143 E146 R150 F249 D255 F256L135-Y141 HydrophobicContact CD1-CD1 3.85Å; L135-Y141 HydrophobicContact CD1-CE1 4.33Å; L135-Y141 HydrophobicContact CD1-CG 4.25Å; L135-Y141 HydrophobicContact CD2-CG 4.39Å; Y141-S143 VanDerWaalsContact C-N 3.31Å; Y141-E146 WeakPolarHBondContact O-CB 3.45Å; Y141-R150 VanDerWaalsContact CZ-CZ 3.48Å; Y141-R150 PolarHBondContact O-NH2 3.25Å; Y141-R150 PolarHBondContact OH-NH1 3.23Å; Y141-F249 AromaticContact CE1-CD2 3.94Å; Y141-F249 HydrophobicContact CE1-CD2 3.94Å; Y141-F249 HydrophobicContact CE1-CE2 4.12Å; Y141-D255 PolarHBondContact OH-O 3.37Å; Y141-F256 HydrophobicContact CE1-CD2 4.44Å; Y141-F256 AromaticContact CE2-CD2 3.99Å; Y141-F256 HydrophobicContact CE2-CD2 3.99Å; Y141-F256 AromaticContact CZ-CD2 3.82Å
142F94.1Very high91.6Very high22 Ų2265.5 Ų65.510%0.09632%0.323CS..THydrogen-bonded Turntrans-97.325.2174.8-65.6-72.5000111.9L132 L135 I136 M147 H246 F249L132-F142 HydrophobicContact CD1-CZ 4.32Å; L132-F142 HydrophobicContact CG-CE2 4.23Å; L132-F142 HydrophobicContact CG-CZ 4.35Å; L135-F142 HydrophobicContact CB-CD2 3.91Å; L135-F142 HydrophobicContact CB-CE2 3.74Å; L135-F142 HydrophobicContact CD1-CE2 4.21Å; I136-F142 HydrophobicContact CG1-CD2 3.73Å; I136-F142 HydrophobicContact CG1-CE2 4.16Å; I136-F142 HydrophobicContact CG1-CG 4.43Å; F142-M147 HydrophobicContact CB-SD 4.38Å; F142-M147 HydrophobicContact CD1-CG 4.48Å; F142-M147 HydrophobicContact CD1-SD 4.2Å; F142-M147 VanDerWaalsContact O-CE 3.3Å; F142-M147 WeakPolarHBondContact O-CE 3.3Å; F142-H246 AromaticContact CD1-CD2 3.78Å; F142-H246 AromaticContact CE1-CD2 3.63Å; F142-H246 AromaticContact CZ-CD2 3.92Å; F142-F249 HydrophobicContact CE1-CB 4.49Å; F142-F249 HydrophobicContact CZ-CB 4.06Å; F142-F249 HydrophobicContact CZ-CD2 4.12Å; F142-F249 AromaticContact CZ-CG 3.98Å; F142-F249 HydrophobicContact CZ-CG 3.98Å
143S91.6Very high91.5Very high36 Ų3666.3 Ų66.325%0.25233%0.326SS..SBendtrans-69.1152.916765.30000110.2E140 Y141 N145 E146 M147E140-S143 VanDerWaalsContact O-CB 3.29Å; E140-S143 WeakPolarHBondContact O-CB 3.26Å; E140-S143 PolarHBondContact O-N 2.92Å; E140-S143 PolarHBondContact O-OG 2.94Å; Y141-S143 VanDerWaalsContact C-N 3.31Å; S143-N145 PolarHBondContact O-N 3.42Å; S143-E146 PolarHBondContact O-N 2.8Å; S143-E146 WeakPolarHBondContact OG-CB 3.37Å; S143-E146 PolarHBondContact OG-N 3.19Å; S143-M147 WeakPolarHBondContact O-CG 3.29Å; S143-M147 PolarHBondContact O-N 3.27Å
144D89Confident91.5Very high50 Ų5060.8 Ų60.827%0.26731%0.307SS..Hα-helixtrans-57.5-38.3-178.5-70.8-10.5000111.4Q148 Y155 R238D144-Q148 VanDerWaalsContact O-CB 3.22Å; D144-Q148 WeakPolarHBondContact O-CB 3.5Å; D144-Q148 PolarHBondContact O-N 3.3Å; D144-Y155 HydrophobicContact CB-CE2 4.49Å; D144-R238 IonicContact OD1-CZ 3.59Å; D144-R238 IonicContact OD1-NE 3.56Å; D144-R238 IonicContact OD1-NH2 2.79Å; D144-R238 PolarHBondContact OD1-NH2 2.77Å; D144-R238 IonicContact OD2-NE 3.55Å; D144-R238 IonicContact OD2-NH2 3.53Å; D144-R238 PolarHBondContact OD2-NH2 2.72Å
145N87.7Confident91.4Very high85 Ų8557.2 Ų57.246%0.45529%0.29SS..Hα-helixtrans-65.4-46.1177.4-67.6-20.1000112.7S143 Q148 R149 Q171S143-N145 PolarHBondContact O-N 3.42Å; N145-Q148 PolarHBondContact O-N 3.41Å; N145-R149 WeakPolarHBondContact O-CG 3.46Å; N145-R149 PolarHBondContact O-N 3.05Å; N145-Q171 PolarHBondContact OD1-NE2 3.09Å
146E90.9Very high91.2Very high65 Ų6558.9 Ų58.930%0.30430%0.299SS..Hα-helixtrans-71.3-33.8-179.5-74.8-58.8129.400112.1E140 Y141 S143 R149 R150E140-E146 WeakPolarHBondContact O-CG 3.29Å; Y141-E146 WeakPolarHBondContact O-CB 3.45Å; S143-E146 PolarHBondContact O-N 2.8Å; S143-E146 WeakPolarHBondContact OG-CB 3.37Å; S143-E146 PolarHBondContact OG-N 3.19Å; E146-R149 IonicContact OE1-NH1 2.71Å; E146-R149 PolarHBondContact OE1-NH1 3.03Å; E146-R149 IonicContact OE2-NH1 2.7Å; E146-R149 PolarHBondContact OE2-NH1 2.85Å; E146-R150 WeakPolarHBondContact O-CG 3.39Å; E146-R150 PolarHBondContact O-N 2.7Å; E146-R150 PolarHBondContact O-NE 3.4Å
147M92Very high90.9Very high1 Ų158.8 Ų58.81%0.00530%0.297CS..Hα-helixtrans-67.7-42171.9-68-172.8-65.100111.5F142 S143 R149 R150 E151 F241 V242 M245F142-M147 HydrophobicContact CB-SD 4.38Å; F142-M147 HydrophobicContact CD1-CG 4.48Å; F142-M147 HydrophobicContact CD1-SD 4.2Å; F142-M147 VanDerWaalsContact O-CE 3.3Å; F142-M147 WeakPolarHBondContact O-CE 3.3Å; S143-M147 WeakPolarHBondContact O-CG 3.29Å; S143-M147 PolarHBondContact O-N 3.27Å; M147-R149 VanDerWaalsContact C-N 3.35Å; M147-R149 PolarHBondContact O-N 2.86Å; M147-R150 PolarHBondContact O-N 3.02Å; M147-E151 PolarHBondContact O-N 2.88Å; M147-F241 HydrophobicContact CB-CE1 3.7Å; M147-F241 HydrophobicContact CB-CZ 3.86Å; M147-F241 HydrophobicContact CE-CD1 4.47Å; M147-F241 HydrophobicContact CE-CE1 3.99Å; M147-F241 HydrophobicContact CG-CE1 4.39Å; M147-F241 HydrophobicContact SD-CE1 3.91Å; M147-V242 HydrophobicContact CE-CG2 4.09Å; M147-V242 HydrophobicContact SD-CG2 4.46Å; M147-M245 HydrophobicContact CB-CE 4.5Å; M147-M245 HydrophobicContact CG-CE 4.44Å; M147-M245 HydrophobicContact CG-CG 4.4Å; M147-M245 HydrophobicContact SD-CB 4.1Å; M147-M245 HydrophobicContact SD-CG 4Å
148Q89.4Confident90.6Very high67 Ų6755 Ų5531%0.31327%0.269SS..Hα-helixtrans-60.6-42.3175.5-179.5-179.317.500111.9D144 N145 R150 E151 P152 Y155D144-Q148 VanDerWaalsContact O-CB 3.22Å; D144-Q148 WeakPolarHBondContact O-CB 3.5Å; D144-Q148 PolarHBondContact O-N 3.3Å; N145-Q148 PolarHBondContact O-N 3.41Å; Q148-R150 VanDerWaalsContact C-N 3.35Å; Q148-R150 PolarHBondContact O-N 3.21Å; Q148-E151 CarbonylContact O-C 3.52Å; Q148-P152 VanDerWaalsContact O-CA 3.29Å; Q148-P152 WeakPolarHBondContact O-CA 3.35Å; Q148-P152 WeakPolarHBondContact O-CG 3.34Å; Q148-Y155 HydrophobicContact CB-CD1 4Å; Q148-Y155 HydrophobicContact CB-CD2 3.87Å; Q148-Y155 HydrophobicContact CB-CE1 4.17Å; Q148-Y155 HydrophobicContact CB-CE2 4.05Å; Q148-Y155 HydrophobicContact CB-CG 3.84Å; Q148-Y155 HydrophobicContact CG-CD1 3.64Å; Q148-Y155 HydrophobicContact CG-CD2 4.43Å; Q148-Y155 HydrophobicContact CG-CE1 3.91Å; Q148-Y155 HydrophobicContact CG-CG 3.92Å
149R86.8Confident90.4Very high175 Ų17549 Ų4966%0.6624%0.243SC*.Hα-helixtrans-64.5-38178.8-76.9-175.366.3-118.6-9.6112.7N145 E146 M147N145-R149 WeakPolarHBondContact O-CG 3.46Å; N145-R149 PolarHBondContact O-N 3.05Å; E146-R149 IonicContact OE1-NH1 2.71Å; E146-R149 PolarHBondContact OE1-NH1 3.03Å; E146-R149 IonicContact OE2-NH1 2.7Å; E146-R149 PolarHBondContact OE2-NH1 2.85Å; M147-R149 VanDerWaalsContact C-N 3.35Å; M147-R149 PolarHBondContact O-N 2.86Å
150R89.5Confident90.3Very high35 Ų3548.4 Ų48.413%0.13224%0.235CC..Hα-helixtrans-77.6-39.4-179.6-69.8-178.7-68.5142.5-8.2112.6Y141 E146 M147 Q148 D254 D255Y141-R150 VanDerWaalsContact CZ-CZ 3.48Å; Y141-R150 PolarHBondContact O-NH2 3.25Å; Y141-R150 PolarHBondContact OH-NH1 3.23Å; E146-R150 WeakPolarHBondContact O-CG 3.39Å; E146-R150 PolarHBondContact O-N 2.7Å; E146-R150 PolarHBondContact O-NE 3.4Å; M147-R150 PolarHBondContact O-N 3.02Å; Q148-R150 VanDerWaalsContact C-N 3.35Å; Q148-R150 PolarHBondContact O-N 3.21Å; R150-D254 IonicContact CZ-OD1 3.39Å; R150-D254 IonicContact CZ-OD2 3.78Å; R150-D254 IonicContact NH1-OD1 3.99Å; R150-D254 PolarHBondContact NH1-OD1 3.37Å; R150-D254 IonicContact NH1-OD2 2.71Å; R150-D254 PolarHBondContact NH1-OD2 3.5Å; R150-D255 HydrophobicContact CG-CB 4.47Å
151E91.4Very high90.1Very high36 Ų3648.1 Ų48.117%0.16823%0.227CC..  trans-131.372.2-177.3-74-72.516300112.3M147 Q148 F153 L154 Y155 M245 R248M147-E151 PolarHBondContact O-N 2.88Å; Q148-E151 CarbonylContact O-C 3.52Å; E151-F153 PolarHBondContact O-N 3.5Å; E151-L154 HydrophobicContact CB-CB 4.3Å; E151-Y155 VanDerWaalsContact O-CB 3.27Å; E151-Y155 WeakPolarHBondContact O-CB 3.49Å; E151-Y155 PolarHBondContact O-N 3.28Å; E151-M245 HydrophobicContact CB-CE 4.34Å; E151-M245 HydrophobicContact CB-SD 4.08Å; E151-M245 HydrophobicContact CG-CE 3.99Å; E151-M245 HydrophobicContact CG-SD 3.9Å; E151-R248 IonicContact OE1-CZ 2.99Å; E151-R248 IonicContact OE1-NH1 2.7Å; E151-R248 PolarHBondContact OE1-NH1 3.17Å; E151-R248 VanDerWaalsContact OE1-NH1 3.13Å; E151-R248 IonicContact OE2-CZ 3.94Å; E151-R248 IonicContact OE2-NH1 3.03Å; E151-R248 PolarHBondContact OE2-NH1 3Å; E151-R248 IonicContact OE2-NH2 3.3Å
152P91.1Very high89.6Confident24 Ų2449.3 Ų49.316%0.15623%0.232CC..Hα-helixtrans-63-41.1-173.5-22.132.3000113.7Q148 D156Q148-P152 VanDerWaalsContact O-CA 3.29Å; Q148-P152 WeakPolarHBondContact O-CA 3.35Å; Q148-P152 WeakPolarHBondContact O-CG 3.34Å; P152-D156 WeakPolarHBondContact O-CB 3.41Å; P152-D156 PolarHBondContact O-N 3.03Å
153F92.1Very high89.2Confident26 Ų2650.6 Ų50.611%0.11424%0.239CC..Hα-helixtrans-69-47.1-178.2175.9-111.1000112.4E151 Y155 D156 Q157 K197 Q200 Q201 Y204E151-F153 PolarHBondContact O-N 3.5Å; F153-Y155 VanDerWaalsContact C-N 3.31Å; F153-Y155 PolarHBondContact O-N 3.02Å; F153-D156 WeakPolarHBondContact O-CB 3.31Å; F153-D156 PolarHBondContact O-N 3.25Å; F153-Q157 PolarHBondContact O-N 2.86Å; F153-K197 HydrophobicContact CB-CG 4.01Å; F153-K197 HydrophobicContact CD2-CG 4.03Å; F153-Q200 HydrophobicContact CB-CB 3.92Å; F153-Q200 HydrophobicContact CD1-CB 4.08Å; F153-Q200 HydrophobicContact CG-CB 3.92Å; F153-Q201 HydrophobicContact CD2-CB 3.86Å; F153-Q201 VanDerWaalsContact CE2-CA 3.46Å; F153-Q201 HydrophobicContact CE2-CB 3.44Å; F153-Q201 VanDerWaalsContact CE2-CB 3.44Å; F153-Q201 HydrophobicContact CE2-CG 3.78Å; F153-Q201 HydrophobicContact CZ-CB 4.18Å; F153-Q201 HydrophobicContact CZ-CG 4.44Å; F153-Y204 HydrophobicContact CE1-CG 4.17Å; F153-Y204 HydrophobicContact CZ-CD1 4.04Å; F153-Y204 HydrophobicContact CZ-CG 4.05Å
154L91.6Very high88.9Confident24 Ų2452.3 Ų52.313%0.12625%0.248CC..Hα-helixtrans-64.6-40.4179.5-173.666.4000110.9E151 Q157 M158 F241 I244E151-L154 HydrophobicContact CB-CB 4.3Å; L154-Q157 PolarHBondContact O-N 3.41Å; L154-M158 HydrophobicContact CD1-CG 4.18Å; L154-M158 HydrophobicContact CD1-SD 3.63Å; L154-M158 HydrophobicContact CG-SD 4.03Å; L154-M158 WeakPolarHBondContact O-CB 3.49Å; L154-M158 WeakPolarHBondContact O-CG 3.45Å; L154-M158 PolarHBondContact O-N 3.23Å; L154-F241 HydrophobicContact CB-CE2 4.18Å; L154-F241 HydrophobicContact CD2-CD2 4.06Å; L154-F241 HydrophobicContact CD2-CE2 4.01Å; L154-F241 HydrophobicContact CG-CD2 3.87Å; L154-F241 HydrophobicContact CG-CE2 3.92Å; L154-I244 HydrophobicContact CD2-CB 4.46Å; L154-I244 HydrophobicContact CD2-CG2 3.75Å
155Y91.6Very high88.6Confident3 Ų358.3 Ų58.31%0.01228%0.275CS..Hα-helixtrans-61.1-43174.1-175.9-87.8000111.9D144 Q148 E151 F153 Q157 M158 V159 A160 M163 F241D144-Y155 HydrophobicContact CB-CE2 4.49Å; Q148-Y155 HydrophobicContact CB-CD1 4Å; Q148-Y155 HydrophobicContact CB-CD2 3.87Å; Q148-Y155 HydrophobicContact CB-CE1 4.17Å; Q148-Y155 HydrophobicContact CB-CE2 4.05Å; Q148-Y155 HydrophobicContact CB-CG 3.84Å; Q148-Y155 HydrophobicContact CG-CD1 3.64Å; Q148-Y155 HydrophobicContact CG-CD2 4.43Å; Q148-Y155 HydrophobicContact CG-CE1 3.91Å; Q148-Y155 HydrophobicContact CG-CG 3.92Å; E151-Y155 VanDerWaalsContact O-CB 3.27Å; E151-Y155 WeakPolarHBondContact O-CB 3.49Å; E151-Y155 PolarHBondContact O-N 3.28Å; F153-Y155 VanDerWaalsContact C-N 3.31Å; F153-Y155 PolarHBondContact O-N 3.02Å; Y155-Q157 PolarHBondContact O-N 2.8Å; Y155-M158 PolarHBondContact O-N 3.49Å; Y155-V159 HydrophobicContact CD1-CB 4.35Å; Y155-V159 HydrophobicContact CD2-CB 4.05Å; Y155-V159 HydrophobicContact CD2-CG1 4.48Å; Y155-V159 HydrophobicContact CD2-CG2 3.99Å; Y155-V159 HydrophobicContact CE1-CB 4.19Å; Y155-V159 HydrophobicContact CE1-CG1 4.21Å; Y155-V159 HydrophobicContact CE2-CB 3.88Å; Y155-V159 HydrophobicContact CE2-CG1 3.81Å; Y155-V159 HydrophobicContact CE2-CG2 4.03Å; Y155-V159 HydrophobicContact CG-CB 4.28Å; Y155-V159 WeakPolarHBondContact O-CA 3.32Å; Y155-V159 VanDerWaalsContact O-CB 3.3Å; Y155-V159 WeakPolarHBondContact O-CB 3.49Å; Y155-V159 PolarHBondContact O-N 2.91Å; Y155-A160 HydrophobicContact CD1-CB 4.29Å; Y155-A160 HydrophobicContact CE1-CB 4.22Å; Y155-A160 PolarHBondContact O-N 3.43Å; Y155-M163 VanDerWaalsContact OH-CE 3.27Å; Y155-M163 WeakPolarHBondContact OH-CE 3.49Å; Y155-F241 HydrophobicContact CD2-CD1 4.41Å; Y155-F241 AromaticContact CD2-CE1 3.7Å; Y155-F241 HydrophobicContact CD2-CE1 3.7Å; Y155-F241 HydrophobicContact CD2-CE2 4.38Å; Y155-F241 AromaticContact CD2-CZ 3.68Å; Y155-F241 HydrophobicContact CD2-CZ 3.68Å; Y155-F241 HydrophobicContact CE2-CE1 4.4Å; Y155-F241 HydrophobicContact CG-CZ 4.31Å
156D89.1Confident88.5Confident55 Ų5560.4 Ų60.429%0.29428%0.281SS..Hα-helixtrans-59.3-47177.4-17196.9000111.5P152 F153 A160 R161 K197P152-D156 WeakPolarHBondContact O-CB 3.41Å; P152-D156 PolarHBondContact O-N 3.03Å; F153-D156 WeakPolarHBondContact O-CB 3.31Å; F153-D156 PolarHBondContact O-N 3.25Å; D156-A160 PolarHBondContact O-N 2.73Å; D156-R161 WeakPolarHBondContact O-CB 3.32Å; D156-R161 PolarHBondContact O-N 3.38Å; D156-K197 HydrophobicContact CB-CD 4.05Å; D156-K197 IonicContact OD1-NZ 3.83Å; D156-K197 PolarHBondContact OD1-NZ 3.04Å; D156-K197 IonicContact OD2-NZ 2.85Å
157Q88.7Confident88.3Confident71 Ų7160.6 Ų60.633%0.33228%0.282SS..Hα-helixtrans-65.4-42.1-179-176.1-177.1-23.900113.2F153 L154 Y155F153-Q157 PolarHBondContact O-N 2.86Å; L154-Q157 PolarHBondContact O-N 3.41Å; Y155-Q157 PolarHBondContact O-N 2.8Å
158M88.5Confident87.7Confident20 Ų2062.8 Ų62.810%0.09930%0.298CS..Hα-helixtrans-101.4-19-169.6-60.9-171.874.600114.2L154 Y155 Y162 S237 D240 F241 I244L154-M158 HydrophobicContact CD1-CG 4.18Å; L154-M158 HydrophobicContact CD1-SD 3.63Å; L154-M158 HydrophobicContact CG-SD 4.03Å; L154-M158 WeakPolarHBondContact O-CB 3.49Å; L154-M158 WeakPolarHBondContact O-CG 3.45Å; L154-M158 PolarHBondContact O-N 3.23Å; Y155-M158 PolarHBondContact O-N 3.49Å; M158-Y162 WeakPolarHBondContact O-CD2 3.42Å; M158-S237 WeakPolarHBondContact CA-OG 3.36Å; M158-S237 WeakPolarHBondContact O-CB 3.22Å; M158-S237 PolarHBondContact O-OG 3.28Å; M158-D240 HydrophobicContact CE-CB 3.38Å; M158-F241 HydrophobicContact CB-CB 3.88Å; M158-F241 HydrophobicContact CB-CD2 4.27Å; M158-F241 HydrophobicContact CB-CG 4.43Å; M158-F241 HydrophobicContact CE-CB 4.23Å; M158-F241 HydrophobicContact SD-CB 4.07Å; M158-F241 HydrophobicContact SD-CD2 4.27Å; M158-I244 HydrophobicContact CE-CD1 3.87Å; M158-I244 HydrophobicContact SD-CD1 3.7Å
159V90.3Very high87.4Confident10 Ų1061.5 Ų61.56%0.06130%0.298CS..THydrogen-bonded Turntrans-125.3-61.5-175.3-173.80000110.5Y155 R161 Y162 M163 F241Y155-V159 HydrophobicContact CD1-CB 4.35Å; Y155-V159 HydrophobicContact CD2-CB 4.05Å; Y155-V159 HydrophobicContact CD2-CG1 4.48Å; Y155-V159 HydrophobicContact CD2-CG2 3.99Å; Y155-V159 HydrophobicContact CE1-CB 4.19Å; Y155-V159 HydrophobicContact CE1-CG1 4.21Å; Y155-V159 HydrophobicContact CE2-CB 3.88Å; Y155-V159 HydrophobicContact CE2-CG1 3.81Å; Y155-V159 HydrophobicContact CE2-CG2 4.03Å; Y155-V159 HydrophobicContact CG-CB 4.28Å; Y155-V159 WeakPolarHBondContact O-CA 3.32Å; Y155-V159 VanDerWaalsContact O-CB 3.3Å; Y155-V159 WeakPolarHBondContact O-CB 3.49Å; Y155-V159 PolarHBondContact O-N 2.91Å; V159-R161 VanDerWaalsContact C-N 3.31Å; V159-R161 PolarHBondContact O-N 2.79Å; V159-Y162 PolarHBondContact O-N 3.12Å; V159-M163 HydrophobicContact CG1-CE 3.8Å; V159-M163 HydrophobicContact CG1-SD 4.46Å; V159-M163 PolarHBondContact O-N 3.42Å; V159-F241 HydrophobicContact CG2-CB 4Å; V159-F241 HydrophobicContact CG2-CD1 3.84Å; V159-F241 HydrophobicContact CG2-CD2 4.48Å; V159-F241 HydrophobicContact CG2-CE1 4.49Å; V159-F241 HydrophobicContact CG2-CG 3.84Å
160A87.2Confident87Confident33 Ų3359.4 Ų59.427%0.27329%0.294SS..G310 helixtrans-62.7-36.6-170.100000112.9Y155 D156 Y162 M163Y155-A160 HydrophobicContact CD1-CB 4.29Å; Y155-A160 HydrophobicContact CE1-CB 4.22Å; Y155-A160 PolarHBondContact O-N 3.43Å; D156-A160 PolarHBondContact O-N 2.73Å; A160-Y162 PolarHBondContact O-N 3.18Å; A160-Y162 VanDerWaalsContact O-N 3.17Å; A160-M163 WeakPolarHBondContact O-CB 3.28Å; A160-M163 PolarHBondContact O-N 3.4Å
161R85.7Confident86.4Confident136 Ų13660.8 Ų60.851%0.51330%0.302SS..G310 helixtrans-58.6-26.6175.7-176.8174.1179-174.3-1.5113.8D156 V159 L225D156-R161 WeakPolarHBondContact O-CB 3.32Å; D156-R161 PolarHBondContact O-N 3.38Å; V159-R161 VanDerWaalsContact C-N 3.31Å; V159-R161 PolarHBondContact O-N 2.79Å; R161-L225 VanDerWaalsContact NH1-CD1 3.27Å; R161-L225 VanDerWaalsContact NH2-CB 3.34Å
162Y84.1Confident85.4Confident61 Ų6165.1 Ų65.124%0.23933%0.326CS..G310 helixtrans-99.81.1179.7-55.9-72.8000112.9M158 V159 A160 V229 K234 S237M158-Y162 WeakPolarHBondContact O-CD2 3.42Å; V159-Y162 PolarHBondContact O-N 3.12Å; A160-Y162 PolarHBondContact O-N 3.18Å; A160-Y162 VanDerWaalsContact O-N 3.17Å; Y162-V229 HydrophobicContact CD1-CB 4.14Å; Y162-V229 HydrophobicContact CD1-CG1 3.43Å; Y162-V229 VanDerWaalsContact CD1-CG1 3.43Å; Y162-V229 HydrophobicContact CD1-CG2 3.58Å; Y162-V229 HydrophobicContact CE1-CG1 4.17Å; Y162-V229 HydrophobicContact CE1-CG2 4.02Å; Y162-V229 HydrophobicContact CG-CG1 4.29Å; Y162-K234 WeakPolarHBondContact O-CD 3.35Å; Y162-K234 VanDerWaalsContact O-CE 3.32Å; Y162-K234 WeakPolarHBondContact O-CE 3.27Å; Y162-S237 WeakPolarHBondContact CE2-OG 3.46Å
163M84.8Confident84.4Confident50 Ų5071.2 Ų71.225%0.24635%0.352CS..SBendtrans-78.1144.9174.8-71.2-178.6152.500110.8Y155 V159 A160 E167Y155-M163 VanDerWaalsContact OH-CE 3.27Å; Y155-M163 WeakPolarHBondContact OH-CE 3.49Å; V159-M163 HydrophobicContact CG1-CE 3.8Å; V159-M163 HydrophobicContact CG1-SD 4.46Å; V159-M163 PolarHBondContact O-N 3.42Å; A160-M163 WeakPolarHBondContact O-CB 3.28Å; A160-M163 PolarHBondContact O-N 3.4Å; M163-E167 WeakPolarHBondContact CA-OE2 3.36Å; M163-E167 HydrophobicContact CB-CB 4.34Å
164T85.7Confident83Confident72 Ų7272.9 Ų72.944%0.44236%0.364SS..  trans-74.8161.8172.862.10000111.3E166 E167 S168T164-E166 PolarHBondContact O-N 2.82Å; T164-E167 PolarHBondContact N-OE2 2.99Å; T164-E167 PolarHBondContact O-N 3.03Å; T164-E167 WeakPolarHBondContact OG1-CB 3.47Å; T164-E167 VanDerWaalsContact OG1-CG 3.24Å; T164-E167 WeakPolarHBondContact OG1-CG 3.41Å; T164-E167 PolarHBondContact OG1-N 3.43Å; T164-E167 PolarHBondContact OG1-OE2 3.02Å; T164-S168 PolarHBondContact O-N 3.44Å; T164-S168 PolarHBondContact O-OG 3.42Å
165E83.2Confident81.6Confident176 Ų17680.9 Ų80.982%0.82240%0.401SS*.Hα-helixtrans-57.6-34.3173.4-68.2-177.7177.500112S168 A169E165-S168 WeakPolarHBondContact CA-OG 3.36Å; E165-S168 PolarHBondContact O-OG 2.89Å; E165-A169 VanDerWaalsContact O-CB 3.28Å; E165-A169 WeakPolarHBondContact O-CB 3.34Å; E165-A169 PolarHBondContact O-N 3.4Å
166E85.7Confident80.2Confident128 Ų12888.6 Ų88.660%0.59844%0.437SS*.Hα-helixtrans-71.2-41.4177.7-163.7-169.7148.700112.3T164 K170T164-E166 PolarHBondContact O-N 2.82Å; E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 3.36Å; E166-K170 VanDerWaalsContact O-N 3.11Å; E166-K170 VanDerWaalsContact OE1-CE 3.32Å; E166-K170 WeakPolarHBondContact OE1-CE 3.4Å; E166-K170 IonicContact OE1-NZ 2.69Å; E166-K170 PolarHBondContact OE1-NZ 3.07Å
167E85Confident79.2Confident70 Ų7088.8 Ų88.833%0.32744%0.438SS..Hα-helixtrans-66.2-44.6176.5-73166.6165.400111.7M163 T164 A169 K170 Q171 K234M163-E167 WeakPolarHBondContact CA-OE2 3.36Å; M163-E167 HydrophobicContact CB-CB 4.34Å; T164-E167 PolarHBondContact N-OE2 2.99Å; T164-E167 PolarHBondContact O-N 3.03Å; T164-E167 WeakPolarHBondContact OG1-CB 3.47Å; T164-E167 VanDerWaalsContact OG1-CG 3.24Å; T164-E167 WeakPolarHBondContact OG1-CG 3.41Å; T164-E167 PolarHBondContact OG1-N 3.43Å; T164-E167 PolarHBondContact OG1-OE2 3.02Å; E167-A169 PolarHBondContact O-N 2.93Å; E167-K170 WeakPolarHBondContact O-CB 3.33Å; E167-K170 PolarHBondContact O-N 3.24Å; E167-Q171 PolarHBondContact O-N 3.26Å; E167-Q171 VanDerWaalsContact O-N 3.09Å; E167-K234 IonicContact OE1-NZ 3.15Å; E167-K234 PolarHBondContact OE1-NZ 3.12Å; E167-K234 IonicContact OE2-NZ 2.73Å; E167-K234 PolarHBondContact OE2-NZ 2.8Å
168S81.4Confident78.4Confident47 Ų4792 Ų9233%0.32946%0.462SS..Hα-helixtrans-64.7-38.3177.255.20000112.3T164 E165 Q171 L172T164-S168 PolarHBondContact O-N 3.44Å; T164-S168 PolarHBondContact O-OG 3.42Å; E165-S168 WeakPolarHBondContact CA-OG 3.36Å; E165-S168 PolarHBondContact O-OG 2.89Å; S168-Q171 WeakPolarHBondContact O-CB 3.42Å; S168-Q171 PolarHBondContact O-N 3.42Å; S168-L172 WeakPolarHBondContact O-CG 3.22Å; S168-L172 PolarHBondContact O-N 3.49Å; S168-L172 VanDerWaalsContact O-N 3.1Å
169A81.2Confident78.3Confident39 Ų3993.9 Ų93.932%0.32248%0.477SS..Hα-helixtrans-62.4-41.9173.200000112.3E165 E167 Q171 L172 H173E165-A169 VanDerWaalsContact O-CB 3.28Å; E165-A169 WeakPolarHBondContact O-CB 3.34Å; E165-A169 PolarHBondContact O-N 3.4Å; E167-A169 PolarHBondContact O-N 2.93Å; A169-Q171 VanDerWaalsContact C-N 3.29Å; A169-Q171 PolarHBondContact O-N 3.12Å; A169-L172 PolarHBondContact O-N 3.34Å; A169-H173 PolarHBondContact O-CD2 3.06Å; A169-H173 PolarHBondContact O-N 3.38Å
170K80.1Confident78.2Confident131 Ų13199.7 Ų99.757%0.5751%0.507SS*.Hα-helixtrans-61.1-38.4175.5-73.4168.4-173.81650112E166 E167 H173E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 3.36Å; E166-K170 VanDerWaalsContact O-N 3.11Å; E166-K170 VanDerWaalsContact OE1-CE 3.32Å; E166-K170 WeakPolarHBondContact OE1-CE 3.4Å; E166-K170 IonicContact OE1-NZ 2.69Å; E166-K170 PolarHBondContact OE1-NZ 3.07Å; E167-K170 WeakPolarHBondContact O-CB 3.33Å; E167-K170 PolarHBondContact O-N 3.24Å; K170-H173 PolarHBondContact O-N 3.17Å
171Q75.8Confident78.2Confident65 Ų65101.5 Ų101.530%0.30452%0.518SS..Hα-helixtrans-66.2-38.8177.4-16774.4-4.300112.4N145 E167 S168 A169N145-Q171 PolarHBondContact OD1-NE2 3.09Å; E167-Q171 PolarHBondContact O-N 3.26Å; E167-Q171 VanDerWaalsContact O-N 3.09Å; S168-Q171 WeakPolarHBondContact O-CB 3.42Å; S168-Q171 PolarHBondContact O-N 3.42Å; A169-Q171 VanDerWaalsContact C-N 3.29Å; A169-Q171 PolarHBondContact O-N 3.12Å
172L71.6Confident78.2Confident127 Ų12796.2 Ų96.267%0.66551%0.506SS*.Hα-helixtrans-72.7-30.9178.1-70.9169.9000112.9S168 A169 T174S168-L172 WeakPolarHBondContact O-CG 3.22Å; S168-L172 PolarHBondContact O-N 3.49Å; S168-L172 VanDerWaalsContact O-N 3.1Å; A169-L172 PolarHBondContact O-N 3.34Å; L172-T174 PolarHBondContact O-N 2.73Å
173H68.3Low78.2Confident151 Ų15196.8 Ų96.870%0.69952%0.516SS*.  trans-79.559.9175-73.8-61.6000111.1A169 K170 E175A169-H173 PolarHBondContact O-CD2 3.06Å; A169-H173 PolarHBondContact O-N 3.38Å; K170-H173 PolarHBondContact O-N 3.17Å; H173-E175 PolarHBondContact O-N 3.33Å
174T64.3Low78.5Confident62 Ų6299.5 Ų99.538%0.3853%0.531SS..  trans-64.6121.9169.4-43.90000109.1L172 E176L172-T174 PolarHBondContact O-N 2.73Å; T174-E176 HydrophobicContact CG2-CB 4.13Å; T174-E176 HydrophobicContact CG2-CG 4.09Å; T174-E176 PolarHBondContact O-N 3.1Å
175E61Low78.6Confident192 Ų192101.4 Ų101.490%0.89754%0.537SS*.THydrogen-bonded Turntrans-60.3-12.8-177.4-60-172.3166.900113.9H173H173-E175 PolarHBondContact O-N 3.33Å
176E63.5Low78.6Confident164 Ų16497.1 Ų97.177%0.76652%0.517SS*.THydrogen-bonded Turntrans-80.7-15.2-170.1-62.2-175.7159.700114.6T174 T178T174-E176 HydrophobicContact CG2-CB 4.13Å; T174-E176 HydrophobicContact CG2-CG 4.09Å; T174-E176 PolarHBondContact O-N 3.1Å; E176-T178 PolarHBondContact O-N 3.32Å; E176-T178 VanDerWaalsContact O-N 3.08Å
177I66.9Low78.7Confident60 Ų6095.5 Ų95.531%0.30851%0.512SS..  trans-8786.9-174.7-48.3178.5000110.9V183 H186I177-V183 HydrophobicContact CG2-CB 4.14Å; I177-V183 HydrophobicContact CG2-CG2 3.36Å; I177-H186 HydrophobicContact CD1-CB 3.97Å
178T72.4Confident78.9Confident137 Ų13796.2 Ų96.284%0.8452%0.515SS*.  trans-100.2-13.4-178.854.60000114.6E176E176-T178 PolarHBondContact O-N 3.32Å; E176-T178 VanDerWaalsContact O-N 3.08Å
179S85.4Confident79.1Confident60 Ų6098.3 Ų98.342%0.4252%0.523SS..SBendtrans-122.2144.1-176.3178.20000112.2S181 G182 V183S179-S181 PolarHBondContact O-N 2.97Å; S179-S181 PolarHBondContact OG-N 3.26Å; S179-S181 PolarHBondContact OG-OG 3.46Å; S179-G182 WeakPolarHBondContact O-CA 3.29Å; S179-G182 PolarHBondContact O-N 2.92Å; S179-V183 PolarHBondContact O-N 2.9Å
180L88.6Confident79.3Confident133 Ų13398.5 Ų98.570%0.69652%0.522SS*.Hα-helixtrans-53.8-37.6174.1175.562.3000112.4G182 V183 L184L180-G182 VanDerWaalsContact C-N 3.3Å; L180-G182 PolarHBondContact O-N 3.18Å; L180-V183 PolarHBondContact O-N 3.25Å; L180-L184 HydrophobicContact CG-CD1 4.48Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.38Å
181S87.7Confident79.8Confident71 Ų7196.9 Ų96.950%0.49752%0.517SS..Hα-helixtrans-64.6-36.8174.9610000111.9S179 L184 L185S179-S181 PolarHBondContact O-N 2.97Å; S179-S181 PolarHBondContact OG-N 3.26Å; S179-S181 PolarHBondContact OG-OG 3.46Å; S181-L184 PolarHBondContact O-N 3.12Å; S181-L185 WeakPolarHBondContact O-CG 3.46Å; S181-L185 PolarHBondContact O-N 2.7Å
182G85Confident80.5Confident25 Ų2598.3 Ų98.326%0.25853%0.525SS..Hα-helixtrans-65.4-40.9174.700000111.9S179 L180 L184 L185 H186S179-G182 WeakPolarHBondContact O-CA 3.29Å; S179-G182 PolarHBondContact O-N 2.92Å; L180-G182 VanDerWaalsContact C-N 3.3Å; L180-G182 PolarHBondContact O-N 3.18Å; G182-L184 VanDerWaalsContact C-N 3.34Å; G182-L184 PolarHBondContact O-N 3.08Å; G182-L185 PolarHBondContact O-N 2.94Å; G182-H186 VanDerWaalsContact O-CB 3.29Å; G182-H186 WeakPolarHBondContact O-CB 3.35Å; G182-H186 PolarHBondContact O-N 2.71Å
183V85.5Confident81.2Confident73 Ų7394.9 Ų94.944%0.44251%0.51SS..Hα-helixtrans-59.8-45.1173.6-178.50000110.8I177 S179 L180 H186 L187I177-V183 HydrophobicContact CG2-CB 4.14Å; I177-V183 HydrophobicContact CG2-CG2 3.36Å; S179-V183 PolarHBondContact O-N 2.9Å; L180-V183 PolarHBondContact O-N 3.25Å; V183-H186 PolarHBondContact O-N 2.69Å; V183-L187 WeakPolarHBondContact O-CB 3.4Å; V183-L187 PolarHBondContact O-N 3.35Å
184L89.7Confident82.2Confident107 Ų10790.7 Ų90.756%0.5649%0.492SS*.Hα-helixtrans-67.8-40.4-179.2-71.3172.9000112.9L180 S181 G182 L187 H188L180-L184 HydrophobicContact CG-CD1 4.48Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.38Å; S181-L184 PolarHBondContact O-N 3.12Å; G182-L184 VanDerWaalsContact C-N 3.34Å; G182-L184 PolarHBondContact O-N 3.08Å; L184-L187 PolarHBondContact O-N 2.94Å; L184-H188 WeakPolarHBondContact O-CB 3.44Å; L184-H188 PolarHBondContact O-N 2.86Å
185L87.7Confident83.5Confident111 Ų11192 Ų9258%0.58150%0.497SS*.Hα-helixtrans-65.2-45.2174.8-70.9173.8000111.1S181 G182 L187 H188 D189S181-L185 WeakPolarHBondContact O-CG 3.46Å; S181-L185 PolarHBondContact O-N 2.7Å; G182-L185 PolarHBondContact O-N 2.94Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 3.43Å; L185-H188 WeakPolarHBondContact O-CB 3.45Å; L185-H188 PolarHBondContact O-N 2.86Å; L185-H188 VanDerWaalsContact O-N 3.15Å; L185-D189 PolarHBondContact O-N 3.37Å
186H84.5Confident84.8Confident86 Ų8688.1 Ų88.140%0.39848%0.479SS..Hα-helixtrans-61.3-41.7176.5-177.576.4000112.1I177 G182 V183 H188 D189 S190I177-H186 HydrophobicContact CD1-CB 3.97Å; G182-H186 VanDerWaalsContact O-CB 3.29Å; G182-H186 WeakPolarHBondContact O-CB 3.35Å; G182-H186 PolarHBondContact O-N 2.71Å; V183-H186 PolarHBondContact O-N 2.69Å; H186-H188 VanDerWaalsContact C-N 3.34Å; H186-H188 PolarHBondContact O-N 3.37Å; H186-D189 PolarHBondContact O-N 3.22Å; H186-S190 VanDerWaalsContact O-CB 3.23Å; H186-S190 WeakPolarHBondContact O-CB 3.43Å; H186-S190 PolarHBondContact O-N 2.92Å
187L86.5Confident86Confident94 Ų9482 Ų8249%0.49245%0.45SS..Hα-helixtrans-62-42.9174.6-178.466.3000111.3V183 L184 L185 S190 M191V183-L187 WeakPolarHBondContact O-CB 3.4Å; V183-L187 PolarHBondContact O-N 3.35Å; L184-L187 PolarHBondContact O-N 2.94Å; L185-L187 VanDerWaalsContact C-N 3.33Å; L185-L187 PolarHBondContact O-N 3.43Å; L187-S190 PolarHBondContact O-N 3.48Å; L187-M191 HydrophobicContact CG-CE 4.41Å; L187-M191 WeakPolarHBondContact O-CG 3.49Å; L187-M191 PolarHBondContact O-N 2.99Å
188H88.9Confident87.2Confident86 Ų8682.8 Ų82.840%0.39845%0.454SS..Hα-helixtrans-60.7-48.3176.2175.5-87.4000112L184 L185 H186 S190 M191 M192L184-H188 WeakPolarHBondContact O-CB 3.44Å; L184-H188 PolarHBondContact O-N 2.86Å; L185-H188 WeakPolarHBondContact O-CB 3.45Å; L185-H188 PolarHBondContact O-N 2.86Å; L185-H188 VanDerWaalsContact O-N 3.15Å; H186-H188 VanDerWaalsContact C-N 3.34Å; H186-H188 PolarHBondContact O-N 3.37Å; H188-S190 VanDerWaalsContact C-N 3.31Å; H188-S190 PolarHBondContact O-N 3.44Å; H188-M191 HydrophobicContact CB-CE 4.43Å; H188-M191 WeakPolarHBondContact O-CB 3.45Å; H188-M191 PolarHBondContact O-N 3.2Å; H188-M191 VanDerWaalsContact O-N 3.17Å; H188-M192 WeakPolarHBondContact NE2-CE 3.42Å; H188-M192 WeakPolarHBondContact O-CG 3.08Å; H188-M192 PolarHBondContact O-N 3.02Å
189D87.3Confident88.1Confident91 Ų9182.4 Ų82.449%0.48744%0.441SS..Hα-helixtrans-65.5-37.2178.7-65.7-11.4000111.4L185 H186 M191 M192 T193L185-D189 PolarHBondContact O-N 3.37Å; H186-D189 PolarHBondContact O-N 3.22Å; D189-M191 PolarHBondContact O-N 2.89Å; D189-M192 PolarHBondContact O-N 3.46Å; D189-T193 WeakPolarHBondContact O-CB 3.38Å; D189-T193 WeakPolarHBondContact O-CG2 3.18Å; D189-T193 PolarHBondContact O-N 2.88Å; D189-T193 PolarHBondContact O-OG1 3.29Å
190S85.7Confident88.4Confident42 Ų4282.9 Ų82.929%0.29444%0.437SS..Hα-helixtrans-62.7-39.4172.6-174.60000112.2H186 L187 H188 T193 N194H186-S190 VanDerWaalsContact O-CB 3.23Å; H186-S190 WeakPolarHBondContact O-CB 3.43Å; H186-S190 PolarHBondContact O-N 2.92Å; L187-S190 PolarHBondContact O-N 3.48Å; H188-S190 VanDerWaalsContact C-N 3.31Å; H188-S190 PolarHBondContact O-N 3.44Å; S190-T193 WeakPolarHBondContact CA-OG1 3.37Å; S190-T193 PolarHBondContact O-OG1 3.5Å; S190-N194 VanDerWaalsContact O-CB 3.26Å; S190-N194 WeakPolarHBondContact O-CB 3.35Å; S190-N194 VanDerWaalsContact O-CG 3.23Å; S190-N194 PolarHBondContact O-N 3.07Å; S190-N194 PolarHBondContact O-ND2 3.29Å; S190-N194 PolarHBondContact OG-ND2 3.11Å
191M90.3Very high88.4Confident98 Ų9879.5 Ų79.548%0.48342%0.417SS..Hα-helixtrans-64.9-44.5174.9-72.6-175.5-61.800111.5L187 H188 D189 N194 D195L187-M191 HydrophobicContact CG-CE 4.41Å; L187-M191 WeakPolarHBondContact O-CG 3.49Å; L187-M191 PolarHBondContact O-N 2.99Å; H188-M191 HydrophobicContact CB-CE 4.43Å; H188-M191 WeakPolarHBondContact O-CB 3.45Å; H188-M191 PolarHBondContact O-N 3.2Å; H188-M191 VanDerWaalsContact O-N 3.17Å; D189-M191 PolarHBondContact O-N 2.89Å; M191-N194 PolarHBondContact O-N 2.73Å; M191-D195 PolarHBondContact O-N 3.09Å
192M89.6Confident88.7Confident95 Ų9581.5 Ų81.547%0.46842%0.422SS..Hα-helixtrans-63.3-46.9179.4-66.3-62.9-18000112.1H188 D189 N194 D195 E196H188-M192 WeakPolarHBondContact NE2-CE 3.42Å; H188-M192 WeakPolarHBondContact O-CG 3.08Å; H188-M192 PolarHBondContact O-N 3.02Å; D189-M192 PolarHBondContact O-N 3.46Å; M192-N194 VanDerWaalsContact C-N 3.33Å; M192-N194 PolarHBondContact O-N 2.64Å; M192-D195 PolarHBondContact O-N 3.39Å; M192-E196 WeakPolarHBondContact O-CG 3.2Å; M192-E196 PolarHBondContact O-N 2.86Å
193T86.8Confident89Confident55 Ų5585.6 Ų85.634%0.33744%0.437SS..Hα-helixtrans-63.3-37.9177500000112.1D189 S190 E196 K197D189-T193 WeakPolarHBondContact O-CB 3.38Å; D189-T193 WeakPolarHBondContact O-CG2 3.18Å; D189-T193 PolarHBondContact O-N 2.88Å; D189-T193 PolarHBondContact O-OG1 3.29Å; S190-T193 WeakPolarHBondContact CA-OG1 3.37Å; S190-T193 PolarHBondContact O-OG1 3.5Å; T193-E196 PolarHBondContact O-N 3.28Å; T193-K197 WeakPolarHBondContact O-CB 3.46Å; T193-K197 PolarHBondContact O-N 3.34Å
194N88.4Confident89.2Confident63 Ų6386 Ų8634%0.33743%0.431SS..Hα-helixtrans-66.8-39.5174.2-79.2-43.1000112.5S190 M191 M192 E196 K197 N198S190-N194 VanDerWaalsContact O-CB 3.26Å; S190-N194 WeakPolarHBondContact O-CB 3.35Å; S190-N194 VanDerWaalsContact O-CG 3.23Å; S190-N194 PolarHBondContact O-N 3.07Å; S190-N194 PolarHBondContact O-ND2 3.29Å; S190-N194 PolarHBondContact OG-ND2 3.11Å; M191-N194 PolarHBondContact O-N 2.73Å; M192-N194 VanDerWaalsContact C-N 3.33Å; M192-N194 PolarHBondContact O-N 2.64Å; N194-E196 VanDerWaalsContact C-N 3.34Å; N194-K197 WeakPolarHBondContact O-CB 3.48Å; N194-K197 PolarHBondContact O-N 2.86Å; N194-N198 WeakPolarHBondContact O-CB 3.41Å; N194-N198 PolarHBondContact O-N 3.06Å; N194-N198 PolarHBondContact O-ND2 2.89Å; N194-N198 PolarHBondContact O-OD1 3.36Å
195D92.4Very high89.2Confident89 Ų8986.4 Ų86.448%0.47643%0.426SS..Hα-helixtrans-63.6-40.5175.8-82.7-7.2000111.9M191 M192 N198 K199M191-D195 PolarHBondContact O-N 3.09Å; M192-D195 PolarHBondContact O-N 3.39Å; D195-N198 PolarHBondContact O-N 2.91Å; D195-K199 WeakPolarHBondContact O-CG 3.41Å; D195-K199 PolarHBondContact O-N 3.49Å; D195-K199 VanDerWaalsContact O-N 3.12Å
196E88.1Confident89.3Confident111 Ų11188.6 Ų88.652%0.51943%0.427SS..Hα-helixtrans-65.5-44.3173.8-71.7178.2167.500111.9M192 T193 N194 N198 K199 Q200M192-E196 WeakPolarHBondContact O-CG 3.2Å; M192-E196 PolarHBondContact O-N 2.86Å; T193-E196 PolarHBondContact O-N 3.28Å; N194-E196 VanDerWaalsContact C-N 3.34Å; E196-N198 VanDerWaalsContact C-N 3.31Å; E196-N198 PolarHBondContact O-N 3.21Å; E196-K199 PolarHBondContact O-N 3.27Å; E196-Q200 WeakPolarHBondContact O-CG 3.4Å; E196-Q200 PolarHBondContact O-N 3.42Å
197K88.4Confident89.6Confident36 Ų3689.6 Ų89.616%0.15743%0.432CS..Hα-helixtrans-55.9-46.9174.3-174175.877.4168.80111.3F153 D156 T193 N194 K199 Q200 Q201F153-K197 HydrophobicContact CB-CG 4.01Å; F153-K197 HydrophobicContact CD2-CG 4.03Å; D156-K197 HydrophobicContact CB-CD 4.05Å; D156-K197 IonicContact OD1-NZ 3.83Å; D156-K197 PolarHBondContact OD1-NZ 3.04Å; D156-K197 IonicContact OD2-NZ 2.85Å; T193-K197 WeakPolarHBondContact O-CB 3.46Å; T193-K197 PolarHBondContact O-N 3.34Å; N194-K197 WeakPolarHBondContact O-CB 3.48Å; N194-K197 PolarHBondContact O-N 2.86Å; K197-K199 VanDerWaalsContact C-N 3.34Å; K197-K199 PolarHBondContact O-N 3.49Å; K197-Q200 PolarHBondContact O-N 2.97Å; K197-Q201 WeakPolarHBondContact O-CB 3.39Å; K197-Q201 PolarHBondContact O-N 3.22Å
198N91.4Very high89.5Confident75 Ų7590.5 Ų90.540%0.40143%0.432SS..Hα-helixtrans-61.6-41.6179.1-69.5-21.5000111.7N194 D195 E196 Q201 D202N194-N198 WeakPolarHBondContact O-CB 3.41Å; N194-N198 PolarHBondContact O-N 3.06Å; N194-N198 PolarHBondContact O-ND2 2.89Å; N194-N198 PolarHBondContact O-OD1 3.36Å; D195-N198 PolarHBondContact O-N 2.91Å; E196-N198 VanDerWaalsContact C-N 3.31Å; E196-N198 PolarHBondContact O-N 3.21Å; N198-Q201 WeakPolarHBondContact O-CB 3.3Å; N198-Q201 PolarHBondContact O-N 2.86Å; N198-D202 PolarHBondContact O-N 3Å
199K93.1Very high89.4Confident130 Ų13091.7 Ų91.757%0.56544%0.439SS*.Hα-helixtrans-62.8-43.9174.9-69.4166.5-170.6163.70112D195 E196 K197 Q201 D202 I203D195-K199 WeakPolarHBondContact O-CG 3.41Å; D195-K199 PolarHBondContact O-N 3.49Å; D195-K199 VanDerWaalsContact O-N 3.12Å; E196-K199 PolarHBondContact O-N 3.27Å; K197-K199 VanDerWaalsContact C-N 3.34Å; K197-K199 PolarHBondContact O-N 3.49Å; K199-Q201 VanDerWaalsContact C-N 3.34Å; K199-D202 PolarHBondContact O-N 3.25Å; K199-I203 VanDerWaalsContact O-CG1 3.28Å; K199-I203 WeakPolarHBondContact O-CG1 3.36Å; K199-I203 PolarHBondContact O-N 2.8Å
200Q90.1Very high89.4Confident70 Ų7091.4 Ų91.433%0.32744%0.437SS..Hα-helixtrans-64.1-41177.4-72-178.7-16.800111.4F153 E196 K197 I203 Y204F153-Q200 HydrophobicContact CB-CB 3.92Å; F153-Q200 HydrophobicContact CD1-CB 4.08Å; F153-Q200 HydrophobicContact CG-CB 3.92Å; E196-Q200 WeakPolarHBondContact O-CG 3.4Å; E196-Q200 PolarHBondContact O-N 3.42Å; K197-Q200 PolarHBondContact O-N 2.97Å; Q200-I203 PolarHBondContact O-N 3.13Å; Q200-Y204 WeakPolarHBondContact O-CB 3.49Å; Q200-Y204 PolarHBondContact O-N 3.38Å
201Q90.4Very high89.2Confident62 Ų6294.5 Ų94.529%0.2945%0.446SS..Hα-helixtrans-59.5-46.7174.1-177.5174.2-28.500111.9F153 K197 N198 K199 I203 Y204 Y205F153-Q201 HydrophobicContact CD2-CB 3.86Å; F153-Q201 VanDerWaalsContact CE2-CA 3.46Å; F153-Q201 HydrophobicContact CE2-CB 3.44Å; F153-Q201 VanDerWaalsContact CE2-CB 3.44Å; F153-Q201 HydrophobicContact CE2-CG 3.78Å; F153-Q201 HydrophobicContact CZ-CB 4.18Å; F153-Q201 HydrophobicContact CZ-CG 4.44Å; K197-Q201 WeakPolarHBondContact O-CB 3.39Å; K197-Q201 PolarHBondContact O-N 3.22Å; N198-Q201 WeakPolarHBondContact O-CB 3.3Å; N198-Q201 PolarHBondContact O-N 2.86Å; K199-Q201 VanDerWaalsContact C-N 3.34Å; Q201-I203 VanDerWaalsContact C-N 3.35Å; Q201-I203 PolarHBondContact O-N 3.1Å; Q201-Y204 PolarHBondContact O-N 3.05Å; Q201-Y205 HydrophobicContact CG-CD2 3.64Å; Q201-Y205 HydrophobicContact CG-CE2 3.43Å; Q201-Y205 VanDerWaalsContact CG-CE2 3.43Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.43Å; Q201-Y205 PolarHBondContact O-N 2.83Å
202D92.7Very high88.6Confident112 Ų11294.7 Ų94.760%0.59944%0.442SS*.Hα-helixtrans-61.7-42.1177.4-75.9-16.1000111.9N198 K199 R206N198-D202 PolarHBondContact O-N 3Å; K199-D202 PolarHBondContact O-N 3.25Å; D202-R206 WeakPolarHBondContact O-CB 3.48Å; D202-R206 PolarHBondContact O-N 2.99Å
203I92.6Very high88.1Confident112 Ų11296.1 Ų96.157%0.57445%0.451SS*.Hα-helixtrans-61.3-47175.5-68.7164.5000110.3K199 Q200 Q201 R206 Q207K199-I203 VanDerWaalsContact O-CG1 3.28Å; K199-I203 WeakPolarHBondContact O-CG1 3.36Å; K199-I203 PolarHBondContact O-N 2.8Å; Q200-I203 PolarHBondContact O-N 3.13Å; Q201-I203 VanDerWaalsContact C-N 3.35Å; Q201-I203 PolarHBondContact O-N 3.1Å; I203-R206 PolarHBondContact O-N 3.18Å; I203-Q207 WeakPolarHBondContact O-CB 3.4Å; I203-Q207 PolarHBondContact O-N 2.95Å
204Y89Confident87.6Confident80 Ų80100.2 Ų100.231%0.31447%0.471SS..Hα-helixtrans-59.2-51.4178.9170.9-103.5000111.9F153 Q200 Q201 R206 Q207 K208F153-Y204 HydrophobicContact CE1-CG 4.17Å; F153-Y204 HydrophobicContact CZ-CD1 4.04Å; F153-Y204 HydrophobicContact CZ-CG 4.05Å; Q200-Y204 WeakPolarHBondContact O-CB 3.49Å; Q200-Y204 PolarHBondContact O-N 3.38Å; Q201-Y204 PolarHBondContact O-N 3.05Å; Y204-R206 VanDerWaalsContact C-N 3.3Å; Y204-R206 PolarHBondContact O-N 2.9Å; Y204-Q207 PolarHBondContact O-N 2.71Å; Y204-K208 WeakPolarHBondContact O-CB 3.29Å; Y204-K208 PolarHBondContact O-N 3.38Å
205Y89.1Confident86.7Confident116 Ų116100 Ų10046%0.45548%0.475SS..Hα-helixtrans-64.1-36.6177.5-77.1-64.3000112.1Q201 K208 M209Q201-Y205 HydrophobicContact CG-CD2 3.64Å; Q201-Y205 HydrophobicContact CG-CE2 3.43Å; Q201-Y205 VanDerWaalsContact CG-CE2 3.43Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.43Å; Q201-Y205 PolarHBondContact O-N 2.83Å; Y205-K208 PolarHBondContact O-N 2.76Å; Y205-M209 WeakPolarHBondContact O-CB 3.3Å; Y205-M209 WeakPolarHBondContact O-CG 3.48Å; Y205-M209 PolarHBondContact O-N 3.19Å
206R90.8Very high85.5Confident158 Ų158102.3 Ų102.360%0.59649%0.492SS*.Hα-helixtrans-63.8-43.1176.2-175.561.6-174.1171.34.6111.6D202 I203 Y204 M209 L210D202-R206 WeakPolarHBondContact O-CB 3.48Å; D202-R206 PolarHBondContact O-N 2.99Å; I203-R206 PolarHBondContact O-N 3.18Å; Y204-R206 VanDerWaalsContact C-N 3.3Å; Y204-R206 PolarHBondContact O-N 2.9Å; R206-M209 PolarHBondContact O-N 3.24Å; R206-L210 HydrophobicContact CG-CD1 4.49Å; R206-L210 WeakPolarHBondContact O-CG 3.47Å; R206-L210 PolarHBondContact O-N 3.41Å; R206-L210 VanDerWaalsContact O-N 3.11Å
207Q89.2Confident84.2Confident106 Ų106103.3 Ų103.350%0.49550%0.501SS..Hα-helixtrans-64-48176.3-177.7177.8-17.900111.2I203 Y204 M209 L210 E211I203-Q207 WeakPolarHBondContact O-CB 3.4Å; I203-Q207 PolarHBondContact O-N 2.95Å; Y204-Q207 PolarHBondContact O-N 2.71Å; Q207-M209 VanDerWaalsContact C-N 3.26Å; Q207-M209 PolarHBondContact O-N 3.29Å; Q207-L210 WeakPolarHBondContact O-CB 3.45Å; Q207-L210 PolarHBondContact O-N 3.3Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.38Å; Q207-E211 PolarHBondContact NE2-OE1 3.43Å; Q207-E211 PolarHBondContact O-N 2.68Å
208K85.9Confident82.5Confident114 Ų114104.1 Ų104.150%0.49652%0.52SS..Hα-helixtrans-57.7-39177.7-171.1173.5-178.3176.30112.3Y204 Y205 E211 R212Y204-K208 WeakPolarHBondContact O-CB 3.29Å; Y204-K208 PolarHBondContact O-N 3.38Å; Y205-K208 PolarHBondContact O-N 2.76Å; K208-E211 PolarHBondContact O-N 3.1Å; K208-R212 WeakPolarHBondContact O-CB 3.32Å; K208-R212 PolarHBondContact O-N 3.28Å
209M86.2Confident80.8Confident110 Ų110108.5 Ų108.554%0.54254%0.538SS..Hα-helixtrans-67.2-35.8174.7-72.5-69.8178.300113Y205 R206 Q207 N213Y205-M209 WeakPolarHBondContact O-CB 3.3Å; Y205-M209 WeakPolarHBondContact O-CG 3.48Å; Y205-M209 PolarHBondContact O-N 3.19Å; R206-M209 PolarHBondContact O-N 3.24Å; Q207-M209 VanDerWaalsContact C-N 3.26Å; Q207-M209 PolarHBondContact O-N 3.29Å; M209-N213 WeakPolarHBondContact O-CB 3.2Å; M209-N213 VanDerWaalsContact O-CG 3.26Å; M209-N213 PolarHBondContact O-N 2.97Å; M209-N213 PolarHBondContact O-ND2 3.46Å
210L86.5Confident78.6Confident85 Ų85109 Ų10945%0.44555%0.547SS..Hα-helixtrans-68.6-40.6175-70167.2000111.6R206 Q207 N213 N214R206-L210 HydrophobicContact CG-CD1 4.49Å; R206-L210 WeakPolarHBondContact O-CG 3.47Å; R206-L210 PolarHBondContact O-N 3.41Å; R206-L210 VanDerWaalsContact O-N 3.11Å; Q207-L210 WeakPolarHBondContact O-CB 3.45Å; Q207-L210 PolarHBondContact O-N 3.3Å; L210-N213 PolarHBondContact O-N 2.94Å; L210-N214 WeakPolarHBondContact O-CB 3.32Å; L210-N214 PolarHBondContact O-N 2.95Å
211E82.2Confident76.9Confident107 Ų107110 Ų11050%0.556%0.562SS.*Hα-helixtrans-63.2-42.9174.8-70.7171-170.700111.4Q207 K208 N214 S215Q207-E211 WeakPolarHBondContact CG-OE1 3.38Å; Q207-E211 PolarHBondContact NE2-OE1 3.43Å; Q207-E211 PolarHBondContact O-N 2.68Å; K208-E211 PolarHBondContact O-N 3.1Å; E211-N214 PolarHBondContact O-N 2.96Å; E211-S215 PolarHBondContact O-N 3.19Å; E211-S215 PolarHBondContact O-OG 3.31Å
212R78.3Confident74.8Confident102 Ų102114.6 Ų114.639%0.38559%0.588SS.*Hα-helixtrans-59.6-42.7172.7-171.984.2169.21650.4112.2K208 N214 S215 E219 D220K208-R212 WeakPolarHBondContact O-CB 3.32Å; K208-R212 PolarHBondContact O-N 3.28Å; R212-N214 VanDerWaalsContact C-N 3.34Å; R212-S215 VanDerWaalsContact CA-OG 3.3Å; R212-S215 WeakPolarHBondContact CA-OG 3.35Å; R212-S215 PolarHBondContact O-N 3.26Å; R212-S215 VanDerWaalsContact O-O 3.07Å; R212-S215 PolarHBondContact O-OG 2.61Å; R212-S215 VanDerWaalsContact O-OG 3.1Å; R212-E219 VanDerWaalsContact CZ-O 3.28Å; R212-E219 PolarHBondContact NH1-O 2.81Å; R212-E219 PolarHBondContact NH2-O 3Å; R212-D220 IonicContact NH2-OD1 3.64Å; R212-D220 PolarHBondContact NH2-OD1 2.99Å
213N78.1Confident72.7Confident125 Ų125114.8 Ų114.867%0.66859%0.589SS**Hα-helixtrans-71.5-27.3178.5-73.6-17.2000113.3M209 L210M209-N213 WeakPolarHBondContact O-CB 3.2Å; M209-N213 VanDerWaalsContact O-CG 3.26Å; M209-N213 PolarHBondContact O-N 2.97Å; M209-N213 PolarHBondContact O-ND2 3.46Å; L210-N213 PolarHBondContact O-N 2.94Å
214N77Confident70.5Confident141 Ų141113.6 Ų113.675%0.75460%0.597SS**Hα-helixtrans-83-22.8175.7-80.7-17000112.9L210 E211 R212L210-N214 WeakPolarHBondContact O-CB 3.32Å; L210-N214 PolarHBondContact O-N 2.95Å; E211-N214 PolarHBondContact O-N 2.96Å; R212-N214 VanDerWaalsContact C-N 3.34Å
215S69.7Low68.6Low59 Ų59114.9 Ų114.941%0.41361%0.608SS.*SBendtrans-81.5127.8173.432.70000109.4E211 R212 D217E211-S215 PolarHBondContact O-N 3.19Å; E211-S215 PolarHBondContact O-OG 3.31Å; R212-S215 VanDerWaalsContact CA-OG 3.3Å; R212-S215 WeakPolarHBondContact CA-OG 3.35Å; R212-S215 PolarHBondContact O-N 3.26Å; R212-S215 VanDerWaalsContact O-O 3.07Å; R212-S215 PolarHBondContact O-OG 2.61Å; R212-S215 VanDerWaalsContact O-OG 3.1Å; S215-D217 PolarHBondContact O-N 3.02Å
216T67.1Low66.7Low137 Ų137113.8 Ų113.884%0.8462%0.618SS**SBendtrans-75.8-13.3-178.5-58.60000112.3G218T216-G218 PolarHBondContact O-N 3.49Å
217D60.4Low64.9Low132 Ų132113.6 Ų113.671%0.70663%0.628SS**  trans-95.680.9-177.7-59-39.2000110.5S215 E219S215-D217 PolarHBondContact O-N 3.02Å; D217-E219 PolarHBondContact O-N 2.85Å
218G53.6Low63.2Low54 Ų54118.6 Ų118.656%0.55764%0.643SS**  trans-74.648.6176.300000113.6T216 D220T216-G218 PolarHBondContact O-N 3.49Å; G218-D220 PolarHBondContact O-N 2.67Å
219E54Low61.8Low167 Ų167115.9 Ų115.978%0.7864%0.636SS**  trans-78.8111.3176.2-67.9-142.2172.500110.6R212 D217 S221R212-E219 VanDerWaalsContact CZ-O 3.28Å; R212-E219 PolarHBondContact NH1-O 2.81Å; R212-E219 PolarHBondContact NH2-O 3Å; D217-E219 PolarHBondContact O-N 2.85Å; E219-S221 PolarHBondContact O-N 3.05Å; E219-S221 VanDerWaalsContact O-N 3.12Å
220D48.3Very low60.7Low139 Ų139114.8 Ų114.874%0.74363%0.631SS**  trans-61.3100.1175-65-37.8000110.4R212 G218R212-D220 IonicContact NH2-OD1 3.64Å; R212-D220 PolarHBondContact NH2-OD1 2.99Å; G218-D220 PolarHBondContact O-N 2.67Å
221S55Low59.8Low93 Ų93115.6 Ų115.665%0.6564%0.642SS**  trans-107.783.1156.7-167.80000106.4E219 D223E219-S221 PolarHBondContact O-N 3.05Å; E219-S221 VanDerWaalsContact O-N 3.12Å; S221-D223 PolarHBondContact O-N 3.38Å
222D46.3Very low59.5Low157 Ų157116.6 Ų116.684%0.8465%0.65SS**  trans-64.357.8154.5-80.1-27.2000108.2A224D222-A224 PolarHBondContact O-N 3.4Å
223D47.5Very low59.6Low116 Ų116116.3 Ų116.362%0.6265%0.653SS**  trans-72.983.5170.3-148.616.5000104.9S221 L225S221-D223 PolarHBondContact O-N 3.38Å; D223-L225 PolarHBondContact O-N 2.9Å
224A46.5Very low60Low88 Ų88113 Ų11373%0.72763%0.633SS**  trans-52.686.1159.500000105.4D222 S226D222-A224 PolarHBondContact O-N 3.4Å; A224-S226 VanDerWaalsContact C-N 3.34Å; A224-S226 WeakPolarHBondContact O-CA 3.49Å; A224-S226 PolarHBondContact O-N 2.94Å
225L49.1Very low60.5Low106 Ų106110.6 Ų110.656%0.55562%0.617SS**  trans-39.2101.1-176-74.3162.2000108R161 D223 D227R161-L225 VanDerWaalsContact NH1-CD1 3.27Å; R161-L225 VanDerWaalsContact NH2-CB 3.34Å; D223-L225 PolarHBondContact O-N 2.9Å; L225-D227 PolarHBondContact O-N 3.5Å; L225-D227 VanDerWaalsContact O-N 3.07Å
226S48.9Very low61.5Low94 Ų94112.3 Ų112.366%0.65762%0.619SS**  trans-56.8115.4-173.8155.90000107.3A224 R228A224-S226 VanDerWaalsContact C-N 3.34Å; A224-S226 WeakPolarHBondContact O-CA 3.49Å; A224-S226 PolarHBondContact O-N 2.94Å; S226-R228 PolarHBondContact O-N 3.34Å
227D52.6Low62.5Low153 Ų153106.5 Ų106.582%0.81858%0.584SS**SBendtrans-69.333.2-170.1-149.920.8000113.9L225L225-D227 PolarHBondContact O-N 3.5Å; L225-D227 VanDerWaalsContact O-N 3.07Å
228R53.9Low63.9Low211 Ų211104.2 Ų104.280%0.79657%0.565SS**  trans-116.669.4175.6-68.7-172.6173.91720108.4S226 I230S226-R228 PolarHBondContact O-N 3.34Å; R228-I230 PolarHBondContact O-N 3.22Å; R228-I230 VanDerWaalsContact O-N 3.1Å
229V56.3Low65.8Low58 Ų58106.2 Ų106.235%0.35256%0.56SS.*  trans-53116.1170.6175.80000108.3Y162 K234Y162-V229 HydrophobicContact CD1-CB 4.14Å; Y162-V229 HydrophobicContact CD1-CG1 3.43Å; Y162-V229 VanDerWaalsContact CD1-CG1 3.43Å; Y162-V229 HydrophobicContact CD1-CG2 3.58Å; Y162-V229 HydrophobicContact CE1-CG1 4.17Å; Y162-V229 HydrophobicContact CE1-CG2 4.02Å; Y162-V229 HydrophobicContact CG-CG1 4.29Å; V229-K234 HydrophobicContact CG1-CB 4.21Å
230I63.8Low67.7Low86 Ų86100.2 Ų100.244%0.44153%0.533SS..  trans-75.9136.6172.7-55.1174.1000106.6R228 D232 E233 K234R228-I230 PolarHBondContact O-N 3.22Å; R228-I230 VanDerWaalsContact O-N 3.1Å; I230-D232 HydrophobicContact CG2-CB 4.12Å; I230-D232 PolarHBondContact O-N 3.47Å; I230-E233 HydrophobicContact CB-CB 4.5Å; I230-E233 HydrophobicContact CB-CG 4.03Å; I230-E233 PolarHBondContact N-OE2 3.27Å; I230-E233 WeakPolarHBondContact O-CB 3.32Å; I230-E233 PolarHBondContact O-N 2.75Å; I230-K234 PolarHBondContact O-N 2.93Å
231P66.9Low69.9Low103 Ų10393.7 Ų93.767%0.66950%0.498SS*.Hα-helixtrans-50.2-34.7176.9-29.735.9000113.7E233 K234 E235P231-E233 VanDerWaalsContact C-N 3.35Å; P231-E233 PolarHBondContact O-N 3.3Å; P231-K234 WeakPolarHBondContact O-CB 3.48Å; P231-K234 PolarHBondContact O-N 3.28Å; P231-E235 PolarHBondContact O-N 2.84Å
232D75.6Confident71.8Confident128 Ų12890.7 Ų90.768%0.68448%0.476SS*.Hα-helixtrans-65-35.2176.2-62-12000112.5I230 Q236I230-D232 HydrophobicContact CG2-CB 4.12Å; I230-D232 PolarHBondContact O-N 3.47Å; D232-Q236 WeakPolarHBondContact O-CB 3.32Å; D232-Q236 PolarHBondContact O-N 2.95Å
233E82.1Confident74.1Confident96 Ų9688.3 Ų88.345%0.44946%0.455SS..Hα-helixtrans-69.7-36.2176.2-68.3173.6161.700111.7I230 P231 S237I230-E233 HydrophobicContact CB-CB 4.5Å; I230-E233 HydrophobicContact CB-CG 4.03Å; I230-E233 PolarHBondContact N-OE2 3.27Å; I230-E233 WeakPolarHBondContact O-CB 3.32Å; I230-E233 PolarHBondContact O-N 2.75Å; P231-E233 VanDerWaalsContact C-N 3.35Å; P231-E233 PolarHBondContact O-N 3.3Å; E233-S237 WeakPolarHBondContact O-CB 3.3Å; E233-S237 PolarHBondContact O-N 3.42Å
234K84.7Confident76.4Confident55 Ų5585.2 Ų85.224%0.23944%0.438CS..Hα-helixtrans-61.9-49.2176175.8-178.9-176.3177.70111Y162 E167 V229 I230 P231 S237 R238Y162-K234 WeakPolarHBondContact O-CD 3.35Å; Y162-K234 VanDerWaalsContact O-CE 3.32Å; Y162-K234 WeakPolarHBondContact O-CE 3.27Å; E167-K234 IonicContact OE1-NZ 3.15Å; E167-K234 PolarHBondContact OE1-NZ 3.12Å; E167-K234 IonicContact OE2-NZ 2.73Å; E167-K234 PolarHBondContact OE2-NZ 2.8Å; V229-K234 HydrophobicContact CG1-CB 4.21Å; I230-K234 PolarHBondContact O-N 2.93Å; P231-K234 WeakPolarHBondContact O-CB 3.48Å; P231-K234 PolarHBondContact O-N 3.28Å; K234-S237 PolarHBondContact O-N 2.8Å; K234-R238 PolarHBondContact O-N 3.11Å
235E88.2Confident78.7Confident91 Ų9181 Ų8143%0.42540%0.403SS..Hα-helixtrans-66.5-44.6-179.8-168.160.6-142.400110.8P231 S237 R238 E239P231-E235 PolarHBondContact O-N 2.84Å; E235-S237 VanDerWaalsContact C-N 3.32Å; E235-S237 PolarHBondContact O-N 2.96Å; E235-R238 WeakPolarHBondContact O-CB 3.47Å; E235-R238 PolarHBondContact O-N 3Å; E235-R238 VanDerWaalsContact O-N 3.1Å; E235-R238 IonicContact OE1-NH1 3.27Å; E235-E239 WeakPolarHBondContact O-CG 3.41Å; E235-E239 PolarHBondContact O-N 3.44Å
236Q90.1Very high80.9Confident95 Ų9578 Ų7844%0.44439%0.387SS..Hα-helixtrans-60-43.3178-171.261.959.400112D232 R238 E239 D240D232-Q236 WeakPolarHBondContact O-CB 3.32Å; D232-Q236 PolarHBondContact O-N 2.95Å; Q236-R238 VanDerWaalsContact C-N 3.28Å; Q236-R238 PolarHBondContact O-N 3.39Å; Q236-E239 PolarHBondContact O-N 3Å; Q236-D240 PolarHBondContact NE2-OD1 3.31Å; Q236-D240 WeakPolarHBondContact O-CB 3.27Å; Q236-D240 PolarHBondContact O-N 3.26Å
237S88Confident83.1Confident15 Ų1578.9 Ų78.911%0.10538%0.38CS..Hα-helixtrans-64.9-35177.9-173.50000111.8M158 Y162 E233 K234 E235 F241M158-S237 WeakPolarHBondContact CA-OG 3.36Å; M158-S237 WeakPolarHBondContact O-CB 3.22Å; M158-S237 PolarHBondContact O-OG 3.28Å; Y162-S237 WeakPolarHBondContact CE2-OG 3.46Å; E233-S237 WeakPolarHBondContact O-CB 3.3Å; E233-S237 PolarHBondContact O-N 3.42Å; K234-S237 PolarHBondContact O-N 2.8Å; E235-S237 VanDerWaalsContact C-N 3.32Å; E235-S237 PolarHBondContact O-N 2.96Å; S237-F241 WeakPolarHBondContact O-CB 3.41Å; S237-F241 PolarHBondContact O-N 3.46Å
238R91.1Very high85Confident83 Ų8375.5 Ų75.531%0.31336%0.356SS..Hα-helixtrans-66.9-45.7172.7-176.4179.1179.6-77.6-11.8111.8D144 K234 E235 Q236 D240 F241 V242D144-R238 IonicContact OD1-CZ 3.59Å; D144-R238 IonicContact OD1-NE 3.56Å; D144-R238 IonicContact OD1-NH2 2.79Å; D144-R238 PolarHBondContact OD1-NH2 2.77Å; D144-R238 IonicContact OD2-NE 3.55Å; D144-R238 IonicContact OD2-NH2 3.53Å; D144-R238 PolarHBondContact OD2-NH2 2.72Å; K234-R238 PolarHBondContact O-N 3.11Å; E235-R238 WeakPolarHBondContact O-CB 3.47Å; E235-R238 PolarHBondContact O-N 3Å; E235-R238 VanDerWaalsContact O-N 3.1Å; E235-R238 IonicContact OE1-NH1 3.27Å; Q236-R238 VanDerWaalsContact C-N 3.28Å; Q236-R238 PolarHBondContact O-N 3.39Å; R238-D240 VanDerWaalsContact C-N 3.29Å; R238-D240 PolarHBondContact O-N 3.39Å; R238-F241 WeakPolarHBondContact O-CB 3.42Å; R238-F241 PolarHBondContact O-N 3.26Å; R238-V242 WeakPolarHBondContact O-CG2 3.42Å; R238-V242 PolarHBondContact O-N 3.1Å
239E93Very high87Confident97 Ų9765.5 Ų65.545%0.45332%0.318SS..Hα-helixtrans-61.1-40.1176.1-71.5-176.2174.200111.8E235 Q236 V242 R243E235-E239 WeakPolarHBondContact O-CG 3.41Å; E235-E239 PolarHBondContact O-N 3.44Å; Q236-E239 PolarHBondContact O-N 3Å; E239-V242 PolarHBondContact O-N 2.93Å; E239-R243 WeakPolarHBondContact O-CB 3.49Å; E239-R243 PolarHBondContact O-N 2.75Å
240D93.5Very high88.8Confident41 Ų4164.4 Ų64.422%0.21931%0.31CS..Hα-helixtrans-64.3-41.6176.4-69.4-5.3000111.4M158 Q236 R238 R243 I244M158-D240 HydrophobicContact CE-CB 3.38Å; Q236-D240 PolarHBondContact NE2-OD1 3.31Å; Q236-D240 WeakPolarHBondContact O-CB 3.27Å; Q236-D240 PolarHBondContact O-N 3.26Å; R238-D240 VanDerWaalsContact C-N 3.29Å; R238-D240 PolarHBondContact O-N 3.39Å; D240-R243 PolarHBondContact O-N 2.88Å; D240-R243 IonicContact OD1-CZ 3.31Å; D240-R243 IonicContact OD1-NH1 3.79Å; D240-R243 PolarHBondContact OD1-NH1 3.47Å; D240-R243 IonicContact OD1-NH2 3.05Å; D240-R243 PolarHBondContact OD1-NH2 2.92Å; D240-R243 IonicContact OD2-NH2 2.74Å; D240-I244 VanDerWaalsContact O-CG1 3.29Å; D240-I244 WeakPolarHBondContact O-CG1 3.33Å; D240-I244 PolarHBondContact O-N 2.87Å
241F94.8Very high90.1Very high1 Ų164 Ų640%0.00432%0.315CS..Hα-helixtrans-59-51.2173.7173.9-103.1000111.3M147 L154 Y155 M158 V159 S237 R238 R243 I244 M245M147-F241 HydrophobicContact CB-CE1 3.7Å; M147-F241 HydrophobicContact CB-CZ 3.86Å; M147-F241 HydrophobicContact CE-CD1 4.47Å; M147-F241 HydrophobicContact CE-CE1 3.99Å; M147-F241 HydrophobicContact CG-CE1 4.39Å; M147-F241 HydrophobicContact SD-CE1 3.91Å; L154-F241 HydrophobicContact CB-CE2 4.18Å; L154-F241 HydrophobicContact CD2-CD2 4.06Å; L154-F241 HydrophobicContact CD2-CE2 4.01Å; L154-F241 HydrophobicContact CG-CD2 3.87Å; L154-F241 HydrophobicContact CG-CE2 3.92Å; Y155-F241 HydrophobicContact CD2-CD1 4.41Å; Y155-F241 AromaticContact CD2-CE1 3.7Å; Y155-F241 HydrophobicContact CD2-CE1 3.7Å; Y155-F241 HydrophobicContact CD2-CE2 4.38Å; Y155-F241 AromaticContact CD2-CZ 3.68Å; Y155-F241 HydrophobicContact CD2-CZ 3.68Å; Y155-F241 HydrophobicContact CE2-CE1 4.4Å; Y155-F241 HydrophobicContact CG-CZ 4.31Å; M158-F241 HydrophobicContact CB-CB 3.88Å; M158-F241 HydrophobicContact CB-CD2 4.27Å; M158-F241 HydrophobicContact CB-CG 4.43Å; M158-F241 HydrophobicContact CE-CB 4.23Å; M158-F241 HydrophobicContact SD-CB 4.07Å; M158-F241 HydrophobicContact SD-CD2 4.27Å; V159-F241 HydrophobicContact CG2-CB 4Å; V159-F241 HydrophobicContact CG2-CD1 3.84Å; V159-F241 HydrophobicContact CG2-CD2 4.48Å; V159-F241 HydrophobicContact CG2-CE1 4.49Å; V159-F241 HydrophobicContact CG2-CG 3.84Å; S237-F241 WeakPolarHBondContact O-CB 3.41Å; S237-F241 PolarHBondContact O-N 3.46Å; R238-F241 WeakPolarHBondContact O-CB 3.42Å; R238-F241 PolarHBondContact O-N 3.26Å; F241-R243 VanDerWaalsContact C-N 3.3Å; F241-R243 PolarHBondContact O-N 2.95Å; F241-I244 PolarHBondContact O-N 3.03Å; F241-M245 HydrophobicContact CD1-CG 4.46Å; F241-M245 HydrophobicContact CE1-CG 4.02Å; F241-M245 HydrophobicContact CE2-CG 4.1Å; F241-M245 HydrophobicContact CE2-SD 4.23Å; F241-M245 HydrophobicContact CZ-CG 3.81Å; F241-M245 HydrophobicContact CZ-SD 4.16Å; F241-M245 WeakPolarHBondContact O-CG 3.46Å; F241-M245 PolarHBondContact O-N 3.32Å
242V94.7Very high91.3Very high30 Ų3060.3 Ų60.318%0.18230%0.296CS..Hα-helixtrans-60.2-41.4178.7172.80000111M147 R238 E239 M245 H246M147-V242 HydrophobicContact CE-CG2 4.09Å; M147-V242 HydrophobicContact SD-CG2 4.46Å; R238-V242 WeakPolarHBondContact O-CG2 3.42Å; R238-V242 PolarHBondContact O-N 3.1Å; E239-V242 PolarHBondContact O-N 2.93Å; V242-M245 PolarHBondContact O-N 3.06Å; V242-H246 WeakPolarHBondContact CG1-CE1 3.47Å; V242-H246 VanDerWaalsContact O-CG 3.29Å; V242-H246 PolarHBondContact O-N 3.47Å
243R95.2Very high92Very high108 Ų10857.6 Ų57.641%0.40829%0.292SS..Hα-helixtrans-61-45.8176.2-177.8175.763.4-106.62.3111.8E239 D240 F241 M245 H246 E247E239-R243 WeakPolarHBondContact O-CB 3.49Å; E239-R243 PolarHBondContact O-N 2.75Å; D240-R243 PolarHBondContact O-N 2.88Å; D240-R243 IonicContact OD1-CZ 3.31Å; D240-R243 IonicContact OD1-NH1 3.79Å; D240-R243 PolarHBondContact OD1-NH1 3.47Å; D240-R243 IonicContact OD1-NH2 3.05Å; D240-R243 PolarHBondContact OD1-NH2 2.92Å; D240-R243 IonicContact OD2-NH2 2.74Å; F241-R243 VanDerWaalsContact C-N 3.3Å; F241-R243 PolarHBondContact O-N 2.95Å; R243-M245 VanDerWaalsContact C-N 3.31Å; R243-M245 PolarHBondContact O-N 3.38Å; R243-H246 WeakPolarHBondContact O-CB 3.19Å; R243-H246 PolarHBondContact O-N 3.23Å; R243-E247 WeakPolarHBondContact O-CG 3.28Å; R243-E247 PolarHBondContact O-N 3.27Å
244I95Very high92.4Very high50 Ų5053.8 Ų53.826%0.25627%0.274SS..Hα-helixtrans-61.6-42177.1-68.3162.9000110.6L154 M158 D240 F241 H246 E247 R248L154-I244 HydrophobicContact CD2-CB 4.46Å; L154-I244 HydrophobicContact CD2-CG2 3.75Å; M158-I244 HydrophobicContact CE-CD1 3.87Å; M158-I244 HydrophobicContact SD-CD1 3.7Å; D240-I244 VanDerWaalsContact O-CG1 3.29Å; D240-I244 WeakPolarHBondContact O-CG1 3.33Å; D240-I244 PolarHBondContact O-N 2.87Å; F241-I244 PolarHBondContact O-N 3.03Å; I244-H246 VanDerWaalsContact C-N 3.35Å; I244-H246 PolarHBondContact O-N 3.47Å; I244-E247 PolarHBondContact O-N 3.36Å; I244-R248 HydrophobicContact CG2-CG 4.44Å; I244-R248 WeakPolarHBondContact O-CB 3.46Å; I244-R248 WeakPolarHBondContact O-CG 3.48Å; I244-R248 PolarHBondContact O-N 3.04Å
245M94.8Very high92.6Very high0 Ų057.4 Ų57.40%030%0.296CS..Hα-helixtrans-62.2-42.1176.1-66.8-55.4-66.100111.7M147 E151 F241 V242 R243 R248 F249M147-M245 HydrophobicContact CB-CE 4.5Å; M147-M245 HydrophobicContact CG-CE 4.44Å; M147-M245 HydrophobicContact CG-CG 4.4Å; M147-M245 HydrophobicContact SD-CB 4.1Å; M147-M245 HydrophobicContact SD-CG 4Å; E151-M245 HydrophobicContact CB-CE 4.34Å; E151-M245 HydrophobicContact CB-SD 4.08Å; E151-M245 HydrophobicContact CG-CE 3.99Å; E151-M245 HydrophobicContact CG-SD 3.9Å; F241-M245 HydrophobicContact CD1-CG 4.46Å; F241-M245 HydrophobicContact CE1-CG 4.02Å; F241-M245 HydrophobicContact CE2-CG 4.1Å; F241-M245 HydrophobicContact CE2-SD 4.23Å; F241-M245 HydrophobicContact CZ-CG 3.81Å; F241-M245 HydrophobicContact CZ-SD 4.16Å; F241-M245 WeakPolarHBondContact O-CG 3.46Å; F241-M245 PolarHBondContact O-N 3.32Å; V242-M245 PolarHBondContact O-N 3.06Å; R243-M245 VanDerWaalsContact C-N 3.31Å; R243-M245 PolarHBondContact O-N 3.38Å; M245-R248 PolarHBondContact O-N 3.33Å; M245-F249 PolarHBondContact O-N 3.26Å
246H95.2Very high92.8Very high44 Ų4455.3 Ų55.320%0.20429%0.286CS..Hα-helixtrans-62-44.6173.6-68.7164.3000112.4L132 I136 F142 V242 R243 I244 F249 L250L132-H246 HydrophobicContact CD1-CB 3.88Å; I136-H246 WeakPolarHBondContact CD1-NE2 3.05Å; F142-H246 AromaticContact CD1-CD2 3.78Å; F142-H246 AromaticContact CE1-CD2 3.63Å; F142-H246 AromaticContact CZ-CD2 3.92Å; V242-H246 WeakPolarHBondContact CG1-CE1 3.47Å; V242-H246 VanDerWaalsContact O-CG 3.29Å; V242-H246 PolarHBondContact O-N 3.47Å; R243-H246 WeakPolarHBondContact O-CB 3.19Å; R243-H246 PolarHBondContact O-N 3.23Å; I244-H246 VanDerWaalsContact C-N 3.35Å; I244-H246 PolarHBondContact O-N 3.47Å; H246-F249 PolarHBondContact O-N 2.85Å; H246-L250 WeakPolarHBondContact O-CG 3.35Å; H246-L250 PolarHBondContact O-N 3.46Å
247E95.1Very high92.8Very high112 Ų11254.4 Ų54.452%0.52328%0.284SS..Hα-helixtrans-63.8-41.9178.3-74.5177.4-170.100112.2R243 I244 F249 L250 S251R243-E247 WeakPolarHBondContact O-CG 3.28Å; R243-E247 PolarHBondContact O-N 3.27Å; I244-E247 PolarHBondContact O-N 3.36Å; E247-F249 VanDerWaalsContact C-N 3.35Å; E247-F249 PolarHBondContact O-N 2.96Å; E247-L250 PolarHBondContact O-N 2.99Å; E247-S251 WeakPolarHBondContact O-CB 3.2Å; E247-S251 PolarHBondContact O-N 3.23Å; E247-S251 PolarHBondContact O-OG 2.89Å
248R93.5Very high93Very high81 Ų8154.7 Ų54.731%0.30628%0.283SS..Hα-helixtrans-60-45.4174.5-79.6-179.7159.1179.6-10.8111.5E151 I244 M245 L250 S251 G252 A253E151-R248 IonicContact OE1-CZ 2.99Å; E151-R248 IonicContact OE1-NH1 2.7Å; E151-R248 PolarHBondContact OE1-NH1 3.17Å; E151-R248 VanDerWaalsContact OE1-NH1 3.13Å; E151-R248 IonicContact OE2-CZ 3.94Å; E151-R248 IonicContact OE2-NH1 3.03Å; E151-R248 PolarHBondContact OE2-NH1 3Å; E151-R248 IonicContact OE2-NH2 3.3Å; I244-R248 HydrophobicContact CG2-CG 4.44Å; I244-R248 WeakPolarHBondContact O-CB 3.46Å; I244-R248 WeakPolarHBondContact O-CG 3.48Å; I244-R248 PolarHBondContact O-N 3.04Å; M245-R248 PolarHBondContact O-N 3.33Å; R248-L250 PolarHBondContact O-N 3.4Å; R248-S251 WeakPolarHBondContact CA-OG 3.44Å; R248-S251 PolarHBondContact O-N 3.23Å; R248-S251 PolarHBondContact O-OG 3.41Å; R248-G252 PolarHBondContact O-N 3.28Å; R248-A253 PolarHBondContact O-N 2.74Å
249F95.4Very high92.9Very high1 Ų159.3 Ų59.30%0.00430%0.3CS..Hα-helixtrans-58.1-46.4174.5-176.2-89.4000112.2R128 K131 L132 L135 Y141 F142 M245 H246 E247 S251 G252 F256 Y258R128-F249 HydrophobicContact CB-CE1 4.44Å; R128-F249 WeakPolarHBondContact O-CE1 3.2Å; K131-F249 HydrophobicContact CB-CE1 4.42Å; K131-F249 HydrophobicContact CB-CZ 4.33Å; K131-F249 HydrophobicContact CG-CZ 4.01Å; L132-F249 HydrophobicContact CB-CD1 3.75Å; L132-F249 HydrophobicContact CB-CE1 3.72Å; L132-F249 HydrophobicContact CD1-CB 4.29Å; L132-F249 HydrophobicContact CD1-CD1 3.76Å; L132-F249 HydrophobicContact CD1-CG 4.34Å; L132-F249 HydrophobicContact CG-CD1 4.23Å; L135-F249 HydrophobicContact CD1-CE2 3.67Å; L135-F249 HydrophobicContact CD1-CZ 3.63Å; Y141-F249 AromaticContact CE1-CD2 3.94Å; Y141-F249 HydrophobicContact CE1-CD2 3.94Å; Y141-F249 HydrophobicContact CE1-CE2 4.12Å; F142-F249 HydrophobicContact CE1-CB 4.49Å; F142-F249 HydrophobicContact CZ-CB 4.06Å; F142-F249 HydrophobicContact CZ-CD2 4.12Å; F142-F249 AromaticContact CZ-CG 3.98Å; F142-F249 HydrophobicContact CZ-CG 3.98Å; M245-F249 PolarHBondContact O-N 3.26Å; H246-F249 PolarHBondContact O-N 2.85Å; E247-F249 VanDerWaalsContact C-N 3.35Å; E247-F249 PolarHBondContact O-N 2.96Å; F249-S251 VanDerWaalsContact C-N 3.34Å; F249-S251 PolarHBondContact O-N 2.7Å; F249-G252 PolarHBondContact O-N 3.25Å; F249-F256 HydrophobicContact CE2-CB 4.25Å; F249-F256 HydrophobicContact CE2-CD1 4.04Å; F249-F256 AromaticContact CE2-CD2 3.96Å; F249-F256 HydrophobicContact CE2-CD2 3.96Å; F249-F256 HydrophobicContact CE2-CE1 4.46Å; F249-F256 HydrophobicContact CE2-CE2 4.36Å; F249-F256 AromaticContact CE2-CG 3.8Å; F249-F256 HydrophobicContact CE2-CG 3.8Å; F249-F256 HydrophobicContact CZ-CD1 4.44Å; F249-Y258 WeakPolarHBondContact CA-OH 3.38Å; F249-Y258 HydrophobicContact CD2-CE1 4.26Å; F249-Y258 HydrophobicContact CE2-CE1 4.18Å; F249-Y258 HydrophobicContact CZ-CE1 4.41Å; F249-Y258 VanDerWaalsContact O-CE1 3.22Å; F249-Y258 WeakPolarHBondContact O-CE1 3.49Å; F249-Y258 PolarHBondContact O-OH 2.98Å
250L93.2Very high92.6Very high35 Ų3560.9 Ų60.918%0.18331%0.308CS..Hα-helixtrans-64.4-38.3178.6-66.5175.5000112.6R128 Y129 L132 H246 E247 R248 G252R128-L250 HydrophobicContact CB-CD2 4.2Å; R128-L250 WeakPolarHBondContact CD-O 3.41Å; R128-L250 PolarHBondContact NH1-O 3.3Å; R128-L250 VanDerWaalsContact NH1-O 3.12Å; Y129-L250 HydrophobicContact CD2-CD1 4.37Å; Y129-L250 HydrophobicContact CD2-CD2 4.16Å; L132-L250 HydrophobicContact CB-CD2 4.45Å; L132-L250 HydrophobicContact CD1-CD1 4.45Å; L132-L250 HydrophobicContact CD1-CD2 4.03Å; L132-L250 HydrophobicContact CD1-CG 3.94Å; H246-L250 WeakPolarHBondContact O-CG 3.35Å; H246-L250 PolarHBondContact O-N 3.46Å; E247-L250 PolarHBondContact O-N 2.99Å; R248-L250 PolarHBondContact O-N 3.4Å; L250-G252 PolarHBondContact O-N 3.49Å
251S93Very high92.3Very high77 Ų7759 Ų5954%0.53830%0.297SS..Hα-helixtrans-68.6-21176.3730000113.7R128 E247 R248 F249 A253R128-S251 PolarHBondContact NH1-O 3.09Å; R128-S251 VanDerWaalsContact NH1-O 3.07Å; E247-S251 WeakPolarHBondContact O-CB 3.2Å; E247-S251 PolarHBondContact O-N 3.23Å; E247-S251 PolarHBondContact O-OG 2.89Å; R248-S251 WeakPolarHBondContact CA-OG 3.44Å; R248-S251 PolarHBondContact O-N 3.23Å; R248-S251 PolarHBondContact O-OG 3.41Å; F249-S251 VanDerWaalsContact C-N 3.34Å; F249-S251 PolarHBondContact O-N 2.7Å; S251-A253 WeakPolarHBondContact OG-CB 3.5Å; S251-A253 PolarHBondContact OG-N 3.07Å
252G91.1Very high92.1Very high27 Ų2760.2 Ų60.228%0.27830%0.304SS..THydrogen-bonded Turntrans86.220.2-175.800000114R128 R248 F249 L250 Y258R128-G252 VanDerWaalsContact NH1-CA 3.27Å; R128-G252 VanDerWaalsContact NH1-N 3.19Å; R248-G252 PolarHBondContact O-N 3.28Å; F249-G252 PolarHBondContact O-N 3.25Å; L250-G252 PolarHBondContact O-N 3.49Å; G252-Y258 VanDerWaalsContact CA-CZ 3.42Å; G252-Y258 WeakPolarHBondContact O-CE2 3.29Å
253A89.9Confident91.6Very high71 Ų7166 Ų6659%0.58733%0.329SS*.  trans-98.9-0.6-176.500000113.8R248 S251R248-A253 PolarHBondContact O-N 2.74Å; S251-A253 WeakPolarHBondContact OG-CB 3.5Å; S251-A253 PolarHBondContact OG-N 3.07Å
254D90.3Very high91.1Very high15 Ų1562.8 Ų62.88%0.0832%0.32CS..SBendtrans-88.1163.1-179.5-147.5-27.4000112.3R150 F256 Y258R150-D254 IonicContact CZ-OD1 3.39Å; R150-D254 IonicContact CZ-OD2 3.78Å; R150-D254 IonicContact NH1-OD1 3.99Å; R150-D254 PolarHBondContact NH1-OD1 3.37Å; R150-D254 IonicContact NH1-OD2 2.71Å; R150-D254 PolarHBondContact NH1-OD2 3.5Å; D254-F256 VanDerWaalsContact C-N 3.28Å; D254-F256 PolarHBondContact O-N 3.43Å; D254-Y258 WeakPolarHBondContact CB-OH 3.5Å; D254-Y258 PolarHBondContact N-OH 2.92Å; D254-Y258 WeakPolarHBondContact O-CE2 3.34Å
255D89.2Confident90.6Very high131 Ų13164.3 Ų64.370%0.70133%0.333SS*.SBendtrans-74.180174.9-170.924000110.6Y141 R150Y141-D255 PolarHBondContact OH-O 3.37Å; R150-D255 HydrophobicContact CG-CB 4.47Å
256F92.3Very high90.2Very high47 Ų4772.3 Ų72.321%0.20637%0.37CS..SBendtrans-150.3144.8-178.4-167.3-93.1000110.9L135 Y141 F249 D254 Y258 V261L135-F256 HydrophobicContact CD1-CE2 4.23Å; Y141-F256 HydrophobicContact CE1-CD2 4.44Å; Y141-F256 AromaticContact CE2-CD2 3.99Å; Y141-F256 HydrophobicContact CE2-CD2 3.99Å; Y141-F256 AromaticContact CZ-CD2 3.82Å; F249-F256 HydrophobicContact CE2-CB 4.25Å; F249-F256 HydrophobicContact CE2-CD1 4.04Å; F249-F256 AromaticContact CE2-CD2 3.96Å; F249-F256 HydrophobicContact CE2-CD2 3.96Å; F249-F256 HydrophobicContact CE2-CE1 4.46Å; F249-F256 HydrophobicContact CE2-CE2 4.36Å; F249-F256 AromaticContact CE2-CG 3.8Å; F249-F256 HydrophobicContact CE2-CG 3.8Å; F249-F256 HydrophobicContact CZ-CD1 4.44Å; D254-F256 VanDerWaalsContact C-N 3.28Å; D254-F256 PolarHBondContact O-N 3.43Å; F256-Y258 HydrophobicContact CB-CD2 4.48Å; F256-Y258 HydrophobicContact CB-CE1 4.31Å; F256-Y258 HydrophobicContact CB-CE2 3.92Å; F256-Y258 HydrophobicContact CD1-CD1 4.05Å; F256-Y258 HydrophobicContact CD1-CE1 4.11Å; F256-Y258 HydrophobicContact CD1-CG 4.31Å; F256-Y258 WeakPolarHBondContact O-CD2 3.24Å; F256-Y258 WeakPolarHBondContact O-CE2 3.32Å; F256-Y258 PolarHBondContact O-N 3.12Å; F256-Y258 VanDerWaalsContact O-N 3.11Å; F256-V261 HydrophobicContact CE1-CG2 3.72Å; F256-V261 HydrophobicContact CZ-CG2 4.24Å
257D91.2Very high89.8Confident76 Ų7671.7 Ų71.741%0.40637%0.367SS..  trans-84.185.5175-162.54.2000111.5R259 E260D257-R259 PolarHBondContact O-N 2.85Å; D257-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 IonicContact OD1-CZ 2.67Å; D257-R259 IonicContact OD1-NE 3.3Å; D257-R259 PolarHBondContact OD1-NE 3.19Å; D257-R259 IonicContact OD1-NH2 2.85Å; D257-E260 PolarHBondContact O-N 2.88Å
258Y92.1Very high89.3Confident21 Ų2168.1 Ų68.18%0.08235%0.351CS..THydrogen-bonded Turntrans-62.9-17.9-177.8-64.9-79.5000114.4R128 F249 G252 D254 F256 E260 V261 D262R128-Y258 HydrophobicContact CG-CD1 4.25Å; F249-Y258 WeakPolarHBondContact CA-OH 3.38Å; F249-Y258 HydrophobicContact CD2-CE1 4.26Å; F249-Y258 HydrophobicContact CE2-CE1 4.18Å; F249-Y258 HydrophobicContact CZ-CE1 4.41Å; F249-Y258 VanDerWaalsContact O-CE1 3.22Å; F249-Y258 WeakPolarHBondContact O-CE1 3.49Å; F249-Y258 PolarHBondContact O-OH 2.98Å; G252-Y258 VanDerWaalsContact CA-CZ 3.42Å; G252-Y258 WeakPolarHBondContact O-CE2 3.29Å; D254-Y258 WeakPolarHBondContact CB-OH 3.5Å; D254-Y258 PolarHBondContact N-OH 2.92Å; D254-Y258 WeakPolarHBondContact O-CE2 3.34Å; F256-Y258 HydrophobicContact CB-CD2 4.48Å; F256-Y258 HydrophobicContact CB-CE1 4.31Å; F256-Y258 HydrophobicContact CB-CE2 3.92Å; F256-Y258 HydrophobicContact CD1-CD1 4.05Å; F256-Y258 HydrophobicContact CD1-CE1 4.11Å; F256-Y258 HydrophobicContact CD1-CG 4.31Å; F256-Y258 WeakPolarHBondContact O-CD2 3.24Å; F256-Y258 WeakPolarHBondContact O-CE2 3.32Å; F256-Y258 PolarHBondContact O-N 3.12Å; F256-Y258 VanDerWaalsContact O-N 3.11Å; Y258-E260 PolarHBondContact O-N 3.49Å; Y258-V261 PolarHBondContact O-N 3.34Å; Y258-D262 WeakPolarHBondContact O-CB 3.45Å; Y258-D262 PolarHBondContact O-N 3.23Å
259R87.9Confident88.6Confident180 Ų18064.8 Ų64.868%0.67934%0.341SS*.Hα-helixtrans-59.4-35.2179.7-72.4-179.2-84.8-163.3-9112.3D257 V261D257-R259 PolarHBondContact O-N 2.85Å; D257-R259 VanDerWaalsContact O-N 3.12Å; D257-R259 IonicContact OD1-CZ 2.67Å; D257-R259 IonicContact OD1-NE 3.3Å; D257-R259 PolarHBondContact OD1-NE 3.19Å; D257-R259 IonicContact OD1-NH2 2.85Å; R259-V261 PolarHBondContact O-N 2.9Å
260E86.9Confident87.9Confident131 Ų13170.5 Ų70.561%0.61237%0.371SS*.Hα-helixtrans-68.1-23.5178.4-61.4-170.1164.500113.2D257 Y258 D264D257-E260 PolarHBondContact O-N 2.88Å; Y258-E260 PolarHBondContact O-N 3.49Å; E260-D264 WeakPolarHBondContact O-CB 3.43Å
261V88.4Confident87.5Confident1 Ų175 Ų751%0.00640%0.395CS..Hα-helixtrans-103.6-41.1-175.1178.80000111.1R127 R128 K131 F256 Y258 R259 E263 D264 Y267R127-V261 HydrophobicContact CB-CG1 4.22Å; R128-V261 HydrophobicContact CG-CG1 4.39Å; K131-V261 HydrophobicContact CB-CG1 3.79Å; K131-V261 HydrophobicContact CB-CG2 4.22Å; K131-V261 HydrophobicContact CD-CG2 4.01Å; K131-V261 HydrophobicContact CG-CG1 4.31Å; K131-V261 HydrophobicContact CG-CG2 3.8Å; F256-V261 HydrophobicContact CE1-CG2 3.72Å; F256-V261 HydrophobicContact CZ-CG2 4.24Å; Y258-V261 PolarHBondContact O-N 3.34Å; R259-V261 PolarHBondContact O-N 2.9Å; V261-E263 VanDerWaalsContact C-N 3.31Å; V261-E263 PolarHBondContact O-N 3.24Å; V261-D264 PolarHBondContact O-N 3.26Å; V261-Y267 HydrophobicContact CG1-CD2 4.12Å; V261-Y267 HydrophobicContact CG1-CG 4.26Å; V261-Y267 HydrophobicContact CG2-CE2 4.43Å
262D90.4Very high87Confident26 Ų2674.3 Ų74.314%0.13939%0.385CS..Hα-helixtrans-67.2-33.8-174.6-71-2.8000111.7I124 R127 R128 Y258I124-D262 HydrophobicContact CG2-CB 4.47Å; I124-D262 WeakPolarHBondContact CG2-OD1 3.34Å; R127-D262 WeakPolarHBondContact CD-O 3.19Å; R127-D262 PolarHBondContact NH1-O 3.46Å; R128-D262 WeakPolarHBondContact CG-OD1 3.13Å; R128-D262 IonicContact CZ-OD1 3.82Å; R128-D262 IonicContact CZ-OD2 3.76Å; R128-D262 IonicContact NE-OD1 2.9Å; R128-D262 PolarHBondContact NE-OD1 3.03Å; R128-D262 IonicContact NE-OD2 3.24Å; R128-D262 IonicContact NH2-OD1 3.38Å; R128-D262 IonicContact NH2-OD2 3.93Å; R128-D262 PolarHBondContact NH2-OD2 2.93Å; Y258-D262 WeakPolarHBondContact O-CB 3.45Å; Y258-D262 PolarHBondContact O-N 3.23Å
263E83.3Confident86.5Confident151 Ų15175.4 Ų75.471%0.70638%0.384SS*.SBendtrans-90.7-18.2-178.7-63.1-170.9176.500113.3R127 V261 P265R127-E263 VanDerWaalsContact NH1-C 3.29Å; R127-E263 PolarHBondContact NH1-O 3.22Å; V261-E263 VanDerWaalsContact C-N 3.31Å; V261-E263 PolarHBondContact O-N 3.24Å; E263-P265 VanDerWaalsContact O-CD 3.29Å; E263-P265 WeakPolarHBondContact O-CD 3.46Å
264D85.4Confident86.4Confident41 Ų4177.3 Ų77.322%0.21938%0.381CS..  trans-85.5114-173.4-176.10.1000112.6E260 V261 Q266 Y267E260-D264 WeakPolarHBondContact O-CB 3.43Å; V261-D264 PolarHBondContact O-N 3.26Å; D264-Q266 PolarHBondContact O-N 2.99Å; D264-Q266 VanDerWaalsContact OD1-CB 3.3Å; D264-Q266 WeakPolarHBondContact OD1-CB 3.34Å; D264-Q266 VanDerWaalsContact OD1-CG 3.29Å; D264-Q266 WeakPolarHBondContact OD1-CG 3.48Å; D264-Q266 PolarHBondContact OD1-N 2.97Å; D264-Y267 HydrophobicContact CB-CD2 3.81Å; D264-Y267 HydrophobicContact CB-CE2 3.95Å; D264-Y267 PolarHBondContact O-N 2.95Å; D264-Y267 VanDerWaalsContact OD2-CE2 3.28Å; D264-Y267 WeakPolarHBondContact OD2-CE2 3.34Å
265P84.3Confident86.2Confident83 Ų8379.8 Ų79.854%0.53940%0.396SS..G310 helixtrans-66.6-13.9177.4-17.732.9000114.6E263 Y267 D268E263-P265 VanDerWaalsContact O-CD 3.29Å; E263-P265 WeakPolarHBondContact O-CD 3.46Å; P265-Y267 PolarHBondContact O-N 3.02Å; P265-D268 VanDerWaalsContact O-CB 3.27Å; P265-D268 WeakPolarHBondContact O-CB 3.34Å; P265-D268 PolarHBondContact O-N 3.35Å
266Q86.6Confident86.1Confident167 Ų16777.6 Ų77.678%0.7838%0.384SS*.G310 helixtrans-64.5-20.9177.4-65-172.6-42.400112.9D264D264-Q266 PolarHBondContact O-N 2.99Å; D264-Q266 VanDerWaalsContact OD1-CB 3.3Å; D264-Q266 WeakPolarHBondContact OD1-CB 3.34Å; D264-Q266 VanDerWaalsContact OD1-CG 3.29Å; D264-Q266 WeakPolarHBondContact OD1-CG 3.48Å; D264-Q266 PolarHBondContact OD1-N 2.97Å
267Y85.6Confident85.8Confident32 Ų3281.6 Ų81.613%0.12540%0.404CS..G310 helixtrans-90.51.2175.2-59.8-74.9000113.3R127 T130 K131 V261 D264 P265 A269R127-Y267 WeakPolarHBondContact CA-O 3.24Å; T130-Y267 WeakPolarHBondContact CB-O 3.36Å; T130-Y267 HydrophobicContact CG2-CD1 4.13Å; T130-Y267 PolarHBondContact OG1-O 3.15Å; K131-Y267 HydrophobicContact CB-CD1 4.34Å; K131-Y267 HydrophobicContact CB-CE1 4.4Å; K131-Y267 HydrophobicContact CD-CD1 4.33Å; K131-Y267 HydrophobicContact CD-CE1 3.58Å; K131-Y267 PolarHBondContact NZ-OH 3Å; V261-Y267 HydrophobicContact CG1-CD2 4.12Å; V261-Y267 HydrophobicContact CG1-CG 4.26Å; V261-Y267 HydrophobicContact CG2-CE2 4.43Å; D264-Y267 HydrophobicContact CB-CD2 3.81Å; D264-Y267 HydrophobicContact CB-CE2 3.95Å; D264-Y267 PolarHBondContact O-N 2.95Å; D264-Y267 VanDerWaalsContact OD2-CE2 3.28Å; D264-Y267 WeakPolarHBondContact OD2-CE2 3.34Å; P265-Y267 PolarHBondContact O-N 3.02Å; Y267-A269 PolarHBondContact O-N 2.88Å
268D84.6Confident85.8Confident37 Ų3782.1 Ų82.120%0.19840%0.404CS..  trans-58.9115.4171.9-73.4-27.2000108.5R127 P265 L270R127-D268 IonicContact CZ-OD1 3.93Å; R127-D268 VanDerWaalsContact CZ-OD1 3.3Å; R127-D268 IonicContact CZ-OD2 3.81Å; R127-D268 IonicContact NE-OD1 3.13Å; R127-D268 PolarHBondContact NE-OD1 3.45Å; R127-D268 IonicContact NH2-OD1 2.8Å; R127-D268 PolarHBondContact NH2-OD1 2.99Å; R127-D268 IonicContact NH2-OD2 3.94Å; R127-D268 PolarHBondContact NH2-OD2 2.88Å; P265-D268 VanDerWaalsContact O-CB 3.27Å; P265-D268 WeakPolarHBondContact O-CB 3.34Å; P265-D268 PolarHBondContact O-N 3.35Å; D268-L270 HydrophobicContact CB-CD2 4.31Å; D268-L270 PolarHBondContact O-N 3.03Å
269A79.6Confident85.6Confident11 Ų1186.5 Ų86.59%0.09143%0.425CS..  trans-75.371.4-177.400000110.1Y267 D271 L272 I273Y267-A269 PolarHBondContact O-N 2.88Å; A269-D271 PolarHBondContact O-N 2.94Å; A269-L272 HydrophobicContact CB-CB 3.93Å; A269-L272 HydrophobicContact CB-CD1 3.76Å; A269-L272 HydrophobicContact CB-CG 4Å; A269-L272 PolarHBondContact O-N 3.09Å; A269-I273 WeakPolarHBondContact O-CG1 3.28Å; A269-I273 PolarHBondContact O-N 3.05Å
270L80.9Confident85.7Confident120 Ų12087 Ų8763%0.62843%0.427SS*.Hα-helixtrans-53.2-40.5-175.4-61.9-179.1000111.7D268 L272 I273 E274D268-L270 HydrophobicContact CB-CD2 4.31Å; D268-L270 PolarHBondContact O-N 3.03Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.33Å; L270-I273 HydrophobicContact CD2-CD1 4.49Å; L270-I273 PolarHBondContact O-N 3.11Å; L270-E274 WeakPolarHBondContact O-CB 3.26Å; L270-E274 PolarHBondContact O-N 3.27Å
271D83.6Confident85.6Confident131 Ų13188.2 Ų88.270%0.70143%0.427SS*.Hα-helixtrans-60.5-41.4177.1-53.4-16000112.3A269 V275A269-D271 PolarHBondContact O-N 2.94Å; D271-V275 WeakPolarHBondContact O-CG2 3.33Å; D271-V275 PolarHBondContact O-N 3.4Å
272L82.6Confident85.5Confident62 Ų6294 Ų9433%0.32545%0.452SS..Hα-helixtrans-71.2-40.8176.8-66.4178.6000111Y129 A269 L270 E274 V275 D276Y129-L272 HydrophobicContact CD1-CD1 3.91Å; Y129-L272 HydrophobicContact CE1-CD1 4.06Å; A269-L272 HydrophobicContact CB-CB 3.93Å; A269-L272 HydrophobicContact CB-CD1 3.76Å; A269-L272 HydrophobicContact CB-CG 4Å; A269-L272 PolarHBondContact O-N 3.09Å; L270-L272 VanDerWaalsContact C-N 3.34Å; L270-L272 PolarHBondContact O-N 3.33Å; L272-E274 VanDerWaalsContact C-N 3.31Å; L272-E274 PolarHBondContact O-N 3.1Å; L272-V275 PolarHBondContact O-N 2.84Å; L272-D276 WeakPolarHBondContact O-CB 3.49Å; L272-D276 VanDerWaalsContact O-CG 3.23Å; L272-D276 PolarHBondContact O-N 3.4Å
273I82.4Confident85.2Confident50 Ų5098.5 Ų98.526%0.25647%0.472SS..Hα-helixtrans-62.3-41.7178.4-65.4165.1000110.4A269 L270 D276 E277A269-I273 WeakPolarHBondContact O-CG1 3.28Å; A269-I273 PolarHBondContact O-N 3.05Å; L270-I273 HydrophobicContact CD2-CD1 4.49Å; L270-I273 PolarHBondContact O-N 3.11Å; I273-D276 PolarHBondContact O-N 2.88Å; I273-E277 WeakPolarHBondContact O-CB 3.34Å; I273-E277 WeakPolarHBondContact O-CG 3.44Å; I273-E277 PolarHBondContact O-N 3.45Å
274E86.1Confident85Confident111 Ų11194 Ų9452%0.51946%0.457SS..Hα-helixtrans-62.7-43.7177.5-165.3-169.4156.900111.1L270 L272 E277 Q278L270-E274 WeakPolarHBondContact O-CB 3.26Å; L270-E274 PolarHBondContact O-N 3.27Å; L272-E274 VanDerWaalsContact C-N 3.31Å; L272-E274 PolarHBondContact O-N 3.1Å; E274-E277 PolarHBondContact O-N 2.97Å; E274-Q278 VanDerWaalsContact O-CG 3.25Å; E274-Q278 WeakPolarHBondContact O-CG 3.29Å; E274-Q278 PolarHBondContact O-N 3.27Å; E274-Q278 PolarHBondContact OE1-NE2 3.08Å
275V86.9Confident84.6Confident66 Ų6693.5 Ų93.540%0.446%0.457SS..Hα-helixtrans-64.3-45.5176.5173.50000111.1D271 L272 E277 Q278 E279D271-V275 WeakPolarHBondContact O-CG2 3.33Å; D271-V275 PolarHBondContact O-N 3.4Å; L272-V275 PolarHBondContact O-N 2.84Å; V275-E277 VanDerWaalsContact C-N 3.25Å; V275-E277 PolarHBondContact O-N 3.45Å; V275-Q278 WeakPolarHBondContact O-CB 3.42Å; V275-Q278 PolarHBondContact O-N 2.97Å; V275-Q278 VanDerWaalsContact O-N 3.11Å; V275-E279 HydrophobicContact CG1-CG 4.35Å; V275-E279 WeakPolarHBondContact O-CG 3.32Å; V275-E279 PolarHBondContact O-N 3.48Å
276D86.3Confident84.1Confident85 Ų8594.6 Ų94.646%0.45546%0.459SS..Hα-helixtrans-58.9-38.6176.4-69.6-13.7000111.4L272 I273 R280L272-D276 WeakPolarHBondContact O-CB 3.49Å; L272-D276 VanDerWaalsContact O-CG 3.23Å; L272-D276 PolarHBondContact O-N 3.4Å; I273-D276 PolarHBondContact O-N 2.88Å; D276-R280 VanDerWaalsContact O-CB 3.28Å; D276-R280 WeakPolarHBondContact O-CB 3.5Å; D276-R280 PolarHBondContact O-N 3.49Å
277E87.1Confident83.3Confident132 Ų13293.6 Ų93.662%0.61745%0.452SS*.Hα-helixtrans-67.2-41.7175-76.4-177.8-179.800112.2I273 E274 V275 R280 Y281I273-E277 WeakPolarHBondContact O-CB 3.34Å; I273-E277 WeakPolarHBondContact O-CG 3.44Å; I273-E277 PolarHBondContact O-N 3.45Å; E274-E277 PolarHBondContact O-N 2.97Å; V275-E277 VanDerWaalsContact C-N 3.25Å; V275-E277 PolarHBondContact O-N 3.45Å; E277-R280 PolarHBondContact O-N 3.17Å; E277-Y281 WeakPolarHBondContact O-CB 3.37Å; E277-Y281 PolarHBondContact O-N 3.15Å
278Q90.4Very high82.1Confident86 Ų86100.4 Ų100.440%0.40249%0.485SS..Hα-helixtrans-63.9-48.1175.6-71.1171.927.700111.4E274 V275 R280 Y281 F282E274-Q278 VanDerWaalsContact O-CG 3.25Å; E274-Q278 WeakPolarHBondContact O-CG 3.29Å; E274-Q278 PolarHBondContact O-N 3.27Å; E274-Q278 PolarHBondContact OE1-NE2 3.08Å; V275-Q278 WeakPolarHBondContact O-CB 3.42Å; V275-Q278 PolarHBondContact O-N 2.97Å; V275-Q278 VanDerWaalsContact O-N 3.11Å; Q278-R280 VanDerWaalsContact C-N 3.3Å; Q278-R280 PolarHBondContact O-N 3.49Å; Q278-Y281 WeakPolarHBondContact O-CA 3.23Å; Q278-Y281 WeakPolarHBondContact O-CB 3.42Å; Q278-Y281 PolarHBondContact O-N 2.98Å; Q278-F282 HydrophobicContact CB-CE2 4.3Å; Q278-F282 WeakPolarHBondContact O-CD2 3.43Å; Q278-F282 PolarHBondContact O-N 3.49Å
279E88.9Confident80.9Confident113 Ų113107.2 Ų107.253%0.52852%0.515SS..Hα-helixtrans-58-44.5177.1-73.3-174.1175.200111.1V275 Y281 F282 E283V275-E279 HydrophobicContact CG1-CG 4.35Å; V275-E279 WeakPolarHBondContact O-CG 3.32Å; V275-E279 PolarHBondContact O-N 3.48Å; E279-Y281 VanDerWaalsContact C-N 3.29Å; E279-Y281 PolarHBondContact O-N 2.91Å; E279-F282 PolarHBondContact O-N 2.91Å; E279-E283 WeakPolarHBondContact O-CG 3.21Å; E279-E283 PolarHBondContact O-N 3.48Å
280R88.8Confident79.7Confident191 Ų191113.3 Ų113.372%0.72157%0.566SS**Hα-helixtrans-63.7-34.6176.2-170.1178178.8-166.9-1.6112.8D276 E277 Q278 S284D276-R280 VanDerWaalsContact O-CB 3.28Å; D276-R280 WeakPolarHBondContact O-CB 3.5Å; D276-R280 PolarHBondContact O-N 3.49Å; E277-R280 PolarHBondContact O-N 3.17Å; Q278-R280 VanDerWaalsContact C-N 3.3Å; Q278-R280 PolarHBondContact O-N 3.49Å; R280-S284 PolarHBondContact O-N 2.91Å; R280-S284 PolarHBondContact O-OG 3.46Å
281Y85.4Confident79.6Confident156 Ų156113 Ų11361%0.61256%0.563SS**Hα-helixtrans-66.3-43.4173.9177.1-101.3000111.7E277 Q278 E279 S284 S285E277-Y281 WeakPolarHBondContact O-CB 3.37Å; E277-Y281 PolarHBondContact O-N 3.15Å; Q278-Y281 WeakPolarHBondContact O-CA 3.23Å; Q278-Y281 WeakPolarHBondContact O-CB 3.42Å; Q278-Y281 PolarHBondContact O-N 2.98Å; E279-Y281 VanDerWaalsContact C-N 3.29Å; E279-Y281 PolarHBondContact O-N 2.91Å; Y281-S284 PolarHBondContact O-N 3.44Å; Y281-S284 PolarHBondContact O-OG 3.41Å; Y281-S285 WeakPolarHBondContact O-CB 3.34Å; Y281-S285 PolarHBondContact O-N 3.04Å; Y281-S285 PolarHBondContact O-OG 3.02Å
282F85.5Confident79.4Confident122 Ų122112.1 Ų112.154%0.53556%0.556SS.*Hα-helixtrans-65-45.9176.2-70.3-64.9000112.1Q278 E279 S284 S285 D286Q278-F282 HydrophobicContact CB-CE2 4.3Å; Q278-F282 WeakPolarHBondContact O-CD2 3.43Å; Q278-F282 PolarHBondContact O-N 3.49Å; E279-F282 PolarHBondContact O-N 2.91Å; F282-S284 PolarHBondContact O-N 2.98Å; F282-S285 PolarHBondContact O-N 3.36Å; F282-D286 PolarHBondContact O-N 3.31Å
283E84.9Confident79.2Confident121 Ų121114.8 Ų114.857%0.56557%0.569SS**Hα-helixtrans-62.2-28.3178.5-75.3-170.3173.700114.2E279 K287E279-E283 WeakPolarHBondContact O-CG 3.21Å; E279-E283 PolarHBondContact O-N 3.48Å; E283-K287 WeakPolarHBondContact O-CD 3.45Å; E283-K287 WeakPolarHBondContact O-CG 3.33Å
284S80.1Confident79Confident56 Ų56118.6 Ų118.639%0.39259%0.587SS.*Hα-helixtrans-83.1-36.5176.453.40000112.1R280 Y281 F282 K287 E288R280-S284 PolarHBondContact O-N 2.91Å; R280-S284 PolarHBondContact O-OG 3.46Å; Y281-S284 PolarHBondContact O-N 3.44Å; Y281-S284 PolarHBondContact O-OG 3.41Å; F282-S284 PolarHBondContact O-N 2.98Å; S284-K287 PolarHBondContact O-N 2.88Å; S284-E288 PolarHBondContact O-N 3.22Å
285S75.4Confident78.6Confident31 Ų31119.1 Ų119.122%0.21759%0.591CS.*Hα-helixtrans-65.9-42.8176.1-56.50000111.8Y281 F282 K287 E288 E289Y281-S285 WeakPolarHBondContact O-CB 3.34Å; Y281-S285 PolarHBondContact O-N 3.04Å; Y281-S285 PolarHBondContact O-OG 3.02Å; F282-S285 PolarHBondContact O-N 3.36Å; S285-K287 PolarHBondContact O-N 3.48Å; S285-E288 PolarHBondContact O-N 3.01Å; S285-E289 PolarHBondContact O-N 3.43Å
286D75Confident78Confident106 Ų106122.7 Ų122.757%0.56760%0.604SS**Hα-helixtrans-62-25.7177.5-70.4-10.8000112.7F282F282-D286 PolarHBondContact O-N 3.31Å
287K68.3Low77.4Confident147 Ų147125.4 Ų125.464%0.63962%0.615SS**Hα-helixtrans-81.6-22.2175.6-71.5171.7-172157.70113.4E283 S284 S285E283-K287 WeakPolarHBondContact O-CD 3.45Å; E283-K287 WeakPolarHBondContact O-CG 3.33Å; S284-K287 PolarHBondContact O-N 2.88Å; S285-K287 PolarHBondContact O-N 3.48Å
288E61.7Low76.7Confident175 Ų175124.8 Ų124.882%0.81862%0.615SS**Hα-helixtrans-82.2-24.9175-70.8-172.3176.400111.8S284 S285S284-E288 PolarHBondContact O-N 3.22Å; S285-E288 PolarHBondContact O-N 3.01Å
289E59.1Low75.5Confident179 Ų179128.1 Ų128.184%0.83663%0.632SS**  trans-86-11.6176.8-65.4-165.8171.100114.4S285S285-E289 PolarHBondContact O-N 3.43Å
290A53.4Low74.3Confident140 Ų140129.5 Ų129.5100%1.15764%0.642SS**  trans-990-17900000113.6

Retrieved 290 of 290 residues in 710.7 ms (Link to these results)