A0A077ZQP7_TRITR Loading...

Pao retrotransposon peptidase superfamily

AlphaFold DB , UniProt , Accession A0A077ZQP7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 121 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
1M43.8Very low78.2Confident196 Ų196123.4 Ų123.497%0.96657%0.568SS**  089.10-85.2-169.5-100.800108.1K3M1-K3 HydrophobicContact CB-CD 3.94Å; M1-K3 HydrophobicContact CB-CG 3.98Å; M1-K3 HydrophobicContact CG-CD 4.4Å; M1-K3 PolarHBondContact O-N 3.11Å; M1-K3 HydrophobicContact SD-CD 3.79Å; M1-K3 WeakPolarHBondContact SD-CE 3.37Å; M1-K3 HydrophobicContact SD-CG 4.49Å; M1-K3 PolarHBondContact SD-NZ 2.8Å
2E45.3Very low79.6Confident208 Ų208119.8 Ų119.897%0.97256%0.555SS**  trans-68.778167.7-76.617815200107.9
3K61.4Low80.8Confident133 Ų133115.2 Ų115.258%0.57855%0.55SS**  trans-86.3124.3-172.6-95.2170.4164.1174.90108.5M1 P5M1-K3 HydrophobicContact CB-CD 3.94Å; M1-K3 HydrophobicContact CB-CG 3.98Å; M1-K3 HydrophobicContact CG-CD 4.4Å; M1-K3 PolarHBondContact O-N 3.11Å; M1-K3 HydrophobicContact SD-CD 3.79Å; M1-K3 WeakPolarHBondContact SD-CE 3.37Å; M1-K3 HydrophobicContact SD-CG 4.49Å; M1-K3 PolarHBondContact SD-NZ 2.8Å; K3-P5 WeakPolarHBondContact O-CD 3.15Å
4K78.5Confident81.8Confident133 Ų133107.6 Ų107.658%0.57852%0.516SS*.  trans-34.6108.3177.3-67.4162.4176.2170.70110.9N6 E7 W8K4-N6 PolarHBondContact O-N 2.99Å; K4-E7 HydrophobicContact CB-CB 4.16Å; K4-E7 HydrophobicContact CB-CG 3.82Å; K4-E7 HydrophobicContact CD-CG 3.95Å; K4-E7 WeakPolarHBondContact CD-OE1 3.3Å; K4-E7 WeakPolarHBondContact CD-OE2 3.44Å; K4-E7 WeakPolarHBondContact CE-OE1 3.35Å; K4-E7 IonicContact NZ-OE1 2.95Å; K4-E7 PolarHBondContact NZ-OE1 3.27Å; K4-E7 IonicContact NZ-OE2 2.77Å; K4-E7 PolarHBondContact O-N 3.09Å; K4-W8 PolarHBondContact O-N 3.46Å
5P83.1Confident82.7Confident92 Ų92102.3 Ų102.360%0.59749%0.491SS*.Hα-helixtrans-54.7-32.9-170.7-30.235000114K3 R9K3-P5 WeakPolarHBondContact O-CD 3.15Å; P5-R9 WeakPolarHBondContact O-CG 2.95Å; P5-R9 PolarHBondContact O-N 2.9Å; P5-R9 VanDerWaalsContact O-N 3.09Å
6N87.6Confident83.5Confident114 Ų114101.8 Ų101.861%0.6149%0.488SS*.Hα-helixtrans-68.3-39.8177.1-70.9-11.8000112.7K4 W8 R9 M10K4-N6 PolarHBondContact O-N 2.99Å; N6-W8 VanDerWaalsContact C-N 3.33Å; N6-W8 PolarHBondContact O-N 3.35Å; N6-R9 PolarHBondContact O-N 3.5Å; N6-M10 VanDerWaalsContact O-CG 3.3Å; N6-M10 WeakPolarHBondContact O-CG 3.37Å; N6-M10 PolarHBondContact O-N 3.02Å
7E89Confident84.2Confident79 Ų79100.7 Ų100.737%0.36948%0.482SS..Hα-helixtrans-66.3-39.1178.4-63.1-172.817700111K4 M10 Y11 I45K4-E7 HydrophobicContact CB-CB 4.16Å; K4-E7 HydrophobicContact CB-CG 3.82Å; K4-E7 HydrophobicContact CD-CG 3.95Å; K4-E7 WeakPolarHBondContact CD-OE1 3.3Å; K4-E7 WeakPolarHBondContact CD-OE2 3.44Å; K4-E7 WeakPolarHBondContact CE-OE1 3.35Å; K4-E7 IonicContact NZ-OE1 2.95Å; K4-E7 PolarHBondContact NZ-OE1 3.27Å; K4-E7 IonicContact NZ-OE2 2.77Å; K4-E7 PolarHBondContact O-N 3.09Å; E7-M10 PolarHBondContact O-N 2.97Å; E7-Y11 WeakPolarHBondContact O-CB 3.47Å; E7-Y11 PolarHBondContact O-N 3.48Å; E7-I45 HydrophobicContact CB-CD1 3.45Å; E7-I45 VanDerWaalsContact CB-CD1 3.45Å; E7-I45 HydrophobicContact CG-CD1 3.51Å
8W90.7Very high84.8Confident145 Ų14597.1 Ų97.155%0.54946%0.463SS..Hα-helixtrans-63.1-43.9174.5179.2-117.3000112.5K4 N6 M10 Y11 I12K4-W8 PolarHBondContact O-N 3.46Å; N6-W8 VanDerWaalsContact C-N 3.33Å; N6-W8 PolarHBondContact O-N 3.35Å; W8-M10 VanDerWaalsContact C-N 3.34Å; W8-M10 PolarHBondContact O-N 3.28Å; W8-Y11 AromaticContact CE3-CD1 3.69Å; W8-Y11 HydrophobicContact CE3-CD1 3.69Å; W8-Y11 HydrophobicContact CE3-CE1 4.32Å; W8-Y11 HydrophobicContact CE3-CG 4.5Å; W8-Y11 HydrophobicContact CH2-CD1 4.11Å; W8-Y11 HydrophobicContact CH2-CE1 4.01Å; W8-Y11 AromaticContact CZ3-CD1 3.39Å; W8-Y11 HydrophobicContact CZ3-CD1 3.39Å; W8-Y11 AromaticContact CZ3-CE1 3.56Å; W8-Y11 HydrophobicContact CZ3-CE1 3.56Å; W8-Y11 HydrophobicContact CZ3-CG 4.46Å; W8-Y11 PolarHBondContact O-N 2.74Å; W8-I12 HydrophobicContact CD2-CD1 4.12Å; W8-I12 HydrophobicContact CD2-CG1 4.31Å; W8-I12 VanDerWaalsContact CE2-CD1 3.42Å; W8-I12 HydrophobicContact CG-CD1 4.33Å; W8-I12 HydrophobicContact CH2-CG1 4.46Å; W8-I12 HydrophobicContact CZ2-CD1 3.74Å; W8-I12 HydrophobicContact CZ2-CG1 3.99Å; W8-I12 WeakPolarHBondContact O-CG1 3.42Å; W8-I12 PolarHBondContact O-N 2.87Å
9R92.8Very high85.4Confident176 Ų17696.3 Ų96.366%0.66447%0.465SS*.Hα-helixtrans-60.9-42.2174.5-74.1175.7179.9-176.2-0.3112.3P5 N6 Y11 I12 A13P5-R9 WeakPolarHBondContact O-CG 2.95Å; P5-R9 PolarHBondContact O-N 2.9Å; P5-R9 VanDerWaalsContact O-N 3.09Å; N6-R9 PolarHBondContact O-N 3.5Å; R9-Y11 VanDerWaalsContact C-N 3.34Å; R9-I12 PolarHBondContact O-N 3.24Å; R9-A13 WeakPolarHBondContact O-CB 3.43Å; R9-A13 PolarHBondContact O-N 3.18Å
10M93.1Very high85.9Confident47 Ų4797.4 Ų97.423%0.23247%0.473CS..Hα-helixtrans-64.8-39.4176.8-71.8-176.479.100112.2N6 E7 W8 A13 A14 I45 K52 C54N6-M10 VanDerWaalsContact O-CG 3.3Å; N6-M10 WeakPolarHBondContact O-CG 3.37Å; N6-M10 PolarHBondContact O-N 3.02Å; E7-M10 PolarHBondContact O-N 2.97Å; W8-M10 VanDerWaalsContact C-N 3.34Å; W8-M10 PolarHBondContact O-N 3.28Å; M10-A13 PolarHBondContact O-N 2.92Å; M10-A14 WeakPolarHBondContact O-CB 3.49Å; M10-A14 PolarHBondContact O-N 2.78Å; M10-I45 HydrophobicContact CB-CD1 4.39Å; M10-I45 HydrophobicContact CE-CG2 4.1Å; M10-I45 HydrophobicContact SD-CD1 4.22Å; M10-I45 HydrophobicContact SD-CG2 4.05Å; M10-K52 HydrophobicContact CE-CB 3.62Å; M10-K52 WeakPolarHBondContact CE-O 3.38Å; M10-K52 HydrophobicContact SD-CB 4.12Å; M10-C54 HydrophobicContact CB-CB 3.96Å; M10-C54 HydrophobicContact CE-CB 3.97Å
11Y94.7Very high86.3Confident34 Ų3496.8 Ų96.813%0.13347%0.468CS..Hα-helixtrans-64.1-48.1175.4168.3-96.5000111.9E7 W8 R9 A13 A14 M15 H41 A43 V56E7-Y11 WeakPolarHBondContact O-CB 3.47Å; E7-Y11 PolarHBondContact O-N 3.48Å; W8-Y11 AromaticContact CE3-CD1 3.69Å; W8-Y11 HydrophobicContact CE3-CD1 3.69Å; W8-Y11 HydrophobicContact CE3-CE1 4.32Å; W8-Y11 HydrophobicContact CE3-CG 4.5Å; W8-Y11 HydrophobicContact CH2-CD1 4.11Å; W8-Y11 HydrophobicContact CH2-CE1 4.01Å; W8-Y11 AromaticContact CZ3-CD1 3.39Å; W8-Y11 HydrophobicContact CZ3-CD1 3.39Å; W8-Y11 AromaticContact CZ3-CE1 3.56Å; W8-Y11 HydrophobicContact CZ3-CE1 3.56Å; W8-Y11 HydrophobicContact CZ3-CG 4.46Å; W8-Y11 PolarHBondContact O-N 2.74Å; R9-Y11 VanDerWaalsContact C-N 3.34Å; Y11-A13 VanDerWaalsContact C-N 3.31Å; Y11-A13 PolarHBondContact O-N 3.34Å; Y11-A14 PolarHBondContact O-N 3.41Å; Y11-M15 HydrophobicContact CE1-CG 4.12Å; Y11-M15 HydrophobicContact CE2-CE 3.83Å; Y11-M15 HydrophobicContact CE2-CG 3.92Å; Y11-M15 PolarHBondContact O-N 3.41Å; Y11-M15 WeakPolarHBondContact OH-CE 3.2Å; Y11-H41 AromaticContact CE2-ND1 3.78Å; Y11-H41 AromaticContact CZ-CE1 3.88Å; Y11-H41 AromaticContact CZ-ND1 3.74Å; Y11-H41 PolarHBondContact OH-CE1 3.23Å; Y11-H41 PolarHBondContact OH-ND1 3.05Å; Y11-A43 HydrophobicContact CD2-CB 3.86Å; Y11-A43 HydrophobicContact CG-CB 4.35Å; Y11-V56 HydrophobicContact CD2-CG2 4.25Å; Y11-V56 HydrophobicContact CE2-CG1 4.43Å; Y11-V56 HydrophobicContact CE2-CG2 4.2Å
12I94.8Very high88.7Confident80 Ų8090.3 Ų90.341%0.4145%0.452SS..Hα-helixtrans-58.1-46175.6-70.4170.8000110.4W8 R9 A14 M15 Q16W8-I12 HydrophobicContact CD2-CD1 4.12Å; W8-I12 HydrophobicContact CD2-CG1 4.31Å; W8-I12 VanDerWaalsContact CE2-CD1 3.42Å; W8-I12 HydrophobicContact CG-CD1 4.33Å; W8-I12 HydrophobicContact CH2-CG1 4.46Å; W8-I12 HydrophobicContact CZ2-CD1 3.74Å; W8-I12 HydrophobicContact CZ2-CG1 3.99Å; W8-I12 WeakPolarHBondContact O-CG1 3.42Å; W8-I12 PolarHBondContact O-N 2.87Å; R9-I12 PolarHBondContact O-N 3.24Å; I12-A14 VanDerWaalsContact C-N 3.3Å; I12-A14 PolarHBondContact O-N 3.47Å; I12-M15 PolarHBondContact O-N 2.94Å; I12-Q16 WeakPolarHBondContact O-CB 3.48Å; I12-Q16 PolarHBondContact O-N 2.93Å
13A95.1Very high91.1Very high60 Ų6083.4 Ų83.450%0.49642%0.417SS..Hα-helixtrans-61.2-39.8178.600000112.1R9 M10 Y11 Q16 E17R9-A13 WeakPolarHBondContact O-CB 3.43Å; R9-A13 PolarHBondContact O-N 3.18Å; M10-A13 PolarHBondContact O-N 2.92Å; Y11-A13 VanDerWaalsContact C-N 3.31Å; Y11-A13 PolarHBondContact O-N 3.34Å; A13-Q16 PolarHBondContact O-N 2.67Å; A13-E17 PolarHBondContact O-N 3.42Å
14A94.9Very high92.7Very high9 Ų978.9 Ų78.97%0.07440%0.401CS..Hα-helixtrans-66.6-40.8175.700000112.1M10 Y11 I12 E17 Y18 C54 V56M10-A14 WeakPolarHBondContact O-CB 3.49Å; M10-A14 PolarHBondContact O-N 2.78Å; Y11-A14 PolarHBondContact O-N 3.41Å; I12-A14 VanDerWaalsContact C-N 3.3Å; I12-A14 PolarHBondContact O-N 3.47Å; A14-E17 WeakPolarHBondContact O-CB 3.48Å; A14-E17 PolarHBondContact O-N 2.95Å; A14-Y18 WeakPolarHBondContact O-CD2 3.09Å; A14-Y18 PolarHBondContact O-N 3.47Å; A14-C54 HydrophobicContact CB-CB 4.37Å; A14-V56 HydrophobicContact CB-CG2 3.97Å
15M95.3Very high93.4Very high28 Ų2878.3 Ų78.314%0.13840%0.4CS..Hα-helixtrans-66.2-38.2174.6-76.4-60.1-156.500112.2Y11 I12 E17 Y18 V19 V56 F58 F120Y11-M15 HydrophobicContact CE1-CG 4.12Å; Y11-M15 HydrophobicContact CE2-CE 3.83Å; Y11-M15 HydrophobicContact CE2-CG 3.92Å; Y11-M15 PolarHBondContact O-N 3.41Å; Y11-M15 WeakPolarHBondContact OH-CE 3.2Å; I12-M15 PolarHBondContact O-N 2.94Å; M15-E17 VanDerWaalsContact C-N 3.27Å; M15-E17 PolarHBondContact O-N 3Å; M15-Y18 WeakPolarHBondContact O-CB 3.47Å; M15-Y18 PolarHBondContact O-N 2.78Å; M15-Y18 VanDerWaalsContact O-N 3.13Å; M15-V19 PolarHBondContact O-N 3.06Å; M15-V56 HydrophobicContact CE-CB 4.5Å; M15-V56 HydrophobicContact CE-CG1 3.52Å; M15-V56 HydrophobicContact CE-CG2 4.28Å; M15-V56 HydrophobicContact CG-CG2 4.2Å; M15-V56 HydrophobicContact SD-CB 4.49Å; M15-V56 HydrophobicContact SD-CG1 4.07Å; M15-V56 HydrophobicContact SD-CG2 3.92Å; M15-F58 HydrophobicContact CE-CE1 4.28Å; M15-F58 HydrophobicContact CE-CZ 4.15Å; M15-F120 HydrophobicContact CE-CD2 4.2Å; M15-F120 HydrophobicContact CE-CE2 4.07Å; M15-F120 HydrophobicContact SD-CE2 4.35Å
16Q95.7Very high93.9Very high95 Ų9581.8 Ų81.844%0.44441%0.408SS..Hα-helixtrans-62.1-37.3174.8-171.461.352.500111.5I12 A13 Y18 V19 D20I12-Q16 WeakPolarHBondContact O-CB 3.48Å; I12-Q16 PolarHBondContact O-N 2.93Å; A13-Q16 PolarHBondContact O-N 2.67Å; Q16-Y18 VanDerWaalsContact C-N 3.27Å; Q16-Y18 PolarHBondContact O-N 3.43Å; Q16-V19 WeakPolarHBondContact O-CB 3.4Å; Q16-V19 PolarHBondContact O-N 3.4Å; Q16-V19 VanDerWaalsContact O-N 3.12Å; Q16-D20 PolarHBondContact NE2-OD1 3.32Å; Q16-D20 WeakPolarHBondContact O-CB 3.41Å; Q16-D20 PolarHBondContact O-N 3.49Å
17E95.3Very high94Very high83 Ų8379.4 Ų79.439%0.38840%0.398SS..Hα-helixtrans-60.2-35.9174.7-172.2-176.5164.700112.5A13 A14 M15 V19 D20 K21A13-E17 PolarHBondContact O-N 3.42Å; A14-E17 WeakPolarHBondContact O-CB 3.48Å; A14-E17 PolarHBondContact O-N 2.95Å; M15-E17 VanDerWaalsContact C-N 3.27Å; M15-E17 PolarHBondContact O-N 3Å; E17-V19 VanDerWaalsContact C-N 3.33Å; E17-D20 PolarHBondContact O-N 3.12Å; E17-K21 HydrophobicContact CG-CD 3.96Å; E17-K21 HydrophobicContact CG-CG 4.34Å; E17-K21 VanDerWaalsContact O-CB 3.27Å; E17-K21 WeakPolarHBondContact O-CB 3.25Å; E17-K21 VanDerWaalsContact O-CG 3.3Å; E17-K21 WeakPolarHBondContact O-CG 3.22Å; E17-K21 PolarHBondContact O-N 2.77Å; E17-K21 VanDerWaalsContact OE1-CE 3.22Å; E17-K21 WeakPolarHBondContact OE1-CE 3.42Å; E17-K21 IonicContact OE1-NZ 2.91Å; E17-K21 PolarHBondContact OE1-NZ 2.81Å
18Y95.5Very high93.7Very high35 Ų3581.8 Ų81.814%0.13741%0.409CS..Hα-helixtrans-64.1-40.8175.4-81.7-124.5000111.3A14 M15 Q16 G22 W23 V24 F58 L106A14-Y18 WeakPolarHBondContact O-CD2 3.09Å; A14-Y18 PolarHBondContact O-N 3.47Å; M15-Y18 WeakPolarHBondContact O-CB 3.47Å; M15-Y18 PolarHBondContact O-N 2.78Å; M15-Y18 VanDerWaalsContact O-N 3.13Å; Q16-Y18 VanDerWaalsContact C-N 3.27Å; Q16-Y18 PolarHBondContact O-N 3.43Å; Y18-G22 PolarHBondContact O-N 3.34Å; Y18-W23 HydrophobicContact CD1-CB 4.36Å; Y18-W23 HydrophobicContact CD1-CE3 4.14Å; Y18-W23 AromaticContact CD2-CE3 3.96Å; Y18-W23 HydrophobicContact CD2-CE3 3.96Å; Y18-W23 HydrophobicContact CD2-CZ3 4.22Å; Y18-W23 HydrophobicContact CE1-CE3 4.43Å; Y18-W23 HydrophobicContact CE2-CE3 4.28Å; Y18-W23 HydrophobicContact CE2-CZ3 4.26Å; Y18-W23 AromaticContact CG-CE3 3.9Å; Y18-W23 HydrophobicContact CG-CE3 3.9Å; Y18-W23 PolarHBondContact O-N 3.13Å; Y18-V24 HydrophobicContact CD1-CG1 3.91Å; Y18-V24 HydrophobicContact CG-CG1 4.49Å; Y18-F58 HydrophobicContact CD1-CE2 4.5Å; Y18-F58 AromaticContact CE1-CE2 3.69Å; Y18-F58 HydrophobicContact CE1-CE2 3.69Å; Y18-F58 HydrophobicContact CE1-CZ 4.18Å; Y18-L106 HydrophobicContact CE1-CD1 4.18Å; Y18-L106 HydrophobicContact CE1-CD2 4.21Å
19V95.2Very high92.9Very high82 Ų8281.5 Ų81.550%0.49743%0.425SS..Hα-helixtrans-67.3-49.6176.2179.30000110.6M15 Q16 E17 K21 G22 V24M15-V19 PolarHBondContact O-N 3.06Å; Q16-V19 WeakPolarHBondContact O-CB 3.4Å; Q16-V19 PolarHBondContact O-N 3.4Å; Q16-V19 VanDerWaalsContact O-N 3.12Å; E17-V19 VanDerWaalsContact C-N 3.33Å; V19-K21 VanDerWaalsContact C-N 3.25Å; V19-K21 PolarHBondContact O-N 3.32Å; V19-G22 PolarHBondContact O-N 2.83Å; V19-V24 HydrophobicContact CB-CG2 4.42Å; V19-V24 HydrophobicContact CG2-CG2 3.74Å
20D96.1Very high91.8Very high119 Ų11978 Ų7864%0.63643%0.428SS*.Hα-helixtrans-62.4-33.6-177.4-67-10.3000112.1Q16 E17 G22Q16-D20 PolarHBondContact NE2-OD1 3.32Å; Q16-D20 WeakPolarHBondContact O-CB 3.41Å; Q16-D20 PolarHBondContact O-N 3.49Å; E17-D20 PolarHBondContact O-N 3.12Å; D20-G22 VanDerWaalsContact C-N 3.33Å
21K95.1Very high90.7Very high84 Ų8477.2 Ų77.237%0.36543%0.429SS..THydrogen-bonded Turntrans-83.7-5176.2-70-175.6172.7176.60113.9E17 V19 W23 E102E17-K21 HydrophobicContact CG-CD 3.96Å; E17-K21 HydrophobicContact CG-CG 4.34Å; E17-K21 VanDerWaalsContact O-CB 3.27Å; E17-K21 WeakPolarHBondContact O-CB 3.25Å; E17-K21 VanDerWaalsContact O-CG 3.3Å; E17-K21 WeakPolarHBondContact O-CG 3.22Å; E17-K21 PolarHBondContact O-N 2.77Å; E17-K21 VanDerWaalsContact OE1-CE 3.22Å; E17-K21 WeakPolarHBondContact OE1-CE 3.42Å; E17-K21 IonicContact OE1-NZ 2.91Å; E17-K21 PolarHBondContact OE1-NZ 2.81Å; V19-K21 VanDerWaalsContact C-N 3.25Å; V19-K21 PolarHBondContact O-N 3.32Å; K21-W23 VanDerWaalsContact C-N 3.3Å; K21-W23 HydrophobicContact CB-CD2 3.74Å; K21-W23 HydrophobicContact CB-CE3 4.17Å; K21-W23 HydrophobicContact CB-CG 4.08Å; K21-W23 HydrophobicContact CB-CZ2 4.27Å; K21-W23 HydrophobicContact CD-CD2 4.11Å; K21-W23 HydrophobicContact CD-CE3 4.03Å; K21-W23 HydrophobicContact CD-CH2 3.28Å; K21-W23 HydrophobicContact CD-CZ2 3.32Å; K21-W23 HydrophobicContact CD-CZ3 3.63Å; K21-W23 HydrophobicContact CG-CZ2 4.41Å; K21-W23 PolarHBondContact O-N 3.38Å; K21-E102 IonicContact NZ-OE1 3.72Å
22G94.4Very high89.8Confident61 Ų6181.2 Ų81.263%0.62945%0.449SS*.THydrogen-bonded Turntrans69.624.9-179.400000114Y18 V19 D20 V24Y18-G22 PolarHBondContact O-N 3.34Å; V19-G22 PolarHBondContact O-N 2.83Å; D20-G22 VanDerWaalsContact C-N 3.33Å; G22-V24 VanDerWaalsContact C-N 3.32Å
23W94.9Very high88.9Confident63 Ų6387.1 Ų87.124%0.23948%0.475CS..  trans-81.2-14.7178.2-63.9-26000113.3Y18 K21 A103 L106Y18-W23 HydrophobicContact CD1-CB 4.36Å; Y18-W23 HydrophobicContact CD1-CE3 4.14Å; Y18-W23 AromaticContact CD2-CE3 3.96Å; Y18-W23 HydrophobicContact CD2-CE3 3.96Å; Y18-W23 HydrophobicContact CD2-CZ3 4.22Å; Y18-W23 HydrophobicContact CE1-CE3 4.43Å; Y18-W23 HydrophobicContact CE2-CE3 4.28Å; Y18-W23 HydrophobicContact CE2-CZ3 4.26Å; Y18-W23 AromaticContact CG-CE3 3.9Å; Y18-W23 HydrophobicContact CG-CE3 3.9Å; Y18-W23 PolarHBondContact O-N 3.13Å; K21-W23 VanDerWaalsContact C-N 3.3Å; K21-W23 HydrophobicContact CB-CD2 3.74Å; K21-W23 HydrophobicContact CB-CE3 4.17Å; K21-W23 HydrophobicContact CB-CG 4.08Å; K21-W23 HydrophobicContact CB-CZ2 4.27Å; K21-W23 HydrophobicContact CD-CD2 4.11Å; K21-W23 HydrophobicContact CD-CE3 4.03Å; K21-W23 HydrophobicContact CD-CH2 3.28Å; K21-W23 HydrophobicContact CD-CZ2 3.32Å; K21-W23 HydrophobicContact CD-CZ3 3.63Å; K21-W23 HydrophobicContact CG-CZ2 4.41Å; K21-W23 PolarHBondContact O-N 3.38Å; W23-A103 HydrophobicContact CH2-CB 3.63Å; W23-A103 HydrophobicContact CZ2-CB 3.51Å; W23-L106 HydrophobicContact CD2-CB 3.66Å; W23-L106 HydrophobicContact CD2-CD1 3.8Å; W23-L106 HydrophobicContact CD2-CG 4.23Å; W23-L106 HydrophobicContact CE3-CB 4.22Å; W23-L106 HydrophobicContact CE3-CD1 3.42Å; W23-L106 VanDerWaalsContact CE3-CD1 3.42Å; W23-L106 HydrophobicContact CE3-CG 4.32Å; W23-L106 HydrophobicContact CG-CB 3.83Å; W23-L106 HydrophobicContact CH2-CB 4.48Å; W23-L106 HydrophobicContact CH2-CD1 3.7Å; W23-L106 HydrophobicContact CZ2-CB 3.97Å; W23-L106 HydrophobicContact CZ2-CD1 4.07Å; W23-L106 HydrophobicContact CZ3-CD1 3.38Å; W23-L106 PolarHBondContact NE1-O 3.5Å
24V95.2Very high88.2Confident38 Ų3887.9 Ų87.923%0.2349%0.488CS..  trans-133.5152.3-179.7-61.20000109.3Y18 V19 G22 F120Y18-V24 HydrophobicContact CD1-CG1 3.91Å; Y18-V24 HydrophobicContact CG-CG1 4.49Å; V19-V24 HydrophobicContact CB-CG2 4.42Å; V19-V24 HydrophobicContact CG2-CG2 3.74Å; G22-V24 VanDerWaalsContact C-N 3.32Å; V24-F120 HydrophobicContact CB-CE1 4.42Å; V24-F120 HydrophobicContact CB-CZ 4.22Å; V24-F120 HydrophobicContact CG1-CE1 3.8Å; V24-F120 HydrophobicContact CG1-CZ 3.8Å
25E93.4Very high87.7Confident120 Ų12092 Ų9256%0.56150%0.504SS*.  trans-126.516017665.6-173.6171.800110.8V27 R115E25-V27 PolarHBondContact O-N 3.42Å; E25-R115 VanDerWaalsContact CD-NH1 3.3Å; E25-R115 WeakPolarHBondContact OE1-CD 3.31Å; E25-R115 IonicContact OE1-CZ 3.79Å; E25-R115 IonicContact OE1-NE 2.69Å; E25-R115 IonicContact OE1-NH1 2.74Å; E25-R115 PolarHBondContact OE1-NH1 3.31Å; E25-R115 IonicContact OE2-NH1 3.75Å; E25-R115 PolarHBondContact OE2-NH1 2.96Å
26E93Very high87.5Confident166 Ų16693 Ų9378%0.77651%0.512SS*.PPolyproline II helixtrans-71.9127.7173.4-172.2175.1-175.800109.5H28E26-H28 PolarHBondContact O-N 3.42Å
27V90.4Very high87.3Confident63 Ų6390.3 Ų90.338%0.38250%0.497SS..PPolyproline II helixtrans-76.9124-179.6-178.70000109.6E25E25-V27 PolarHBondContact O-N 3.42Å
28H82.7Confident87.2Confident130 Ų13091.7 Ų91.760%0.60250%0.5SS*.PPolyproline II helixtrans-86.6144.6173.2-68.5-61.3000111.2E26 S30E26-H28 PolarHBondContact O-N 3.42Å; H28-S30 PolarHBondContact O-N 3.06Å
29P72.8Confident87.2Confident138 Ų13890.8 Ų90.890%0.89650%0.498SS*.THydrogen-bonded Turntrans-64.912.1-177.6-20.932.1000116.5
30S70.8Confident87.3Confident103 Ų10390 Ų9072%0.7249%0.494SS*.THydrogen-bonded Turntrans-90.84.2-174.157.40000114.5H28 E32H28-S30 PolarHBondContact O-N 3.06Å; S30-E32 PolarHBondContact O-N 3.23Å
31A70.2Confident87.2Confident30 Ų3086.4 Ų86.425%0.24847%0.474CS..PPolyproline II helixtrans-61.5134.5-17800000111.3V36 D116A31-V36 HydrophobicContact CB-CG2 3.27Å; A31-D116 HydrophobicContact CB-CB 4.38Å; A31-D116 VanDerWaalsContact CB-OD2 3.25Å; A31-D116 WeakPolarHBondContact CB-OD2 3.36Å
32E76.1Confident87.1Confident119 Ų11987 Ų8756%0.55648%0.477SS*.PPolyproline II helixtrans-64138.6178.4-67178.3-172.600110.4S30 G34 K35S30-E32 PolarHBondContact O-N 3.23Å; E32-G34 PolarHBondContact O-N 2.77Å; E32-K35 HydrophobicContact CB-CB 4.41Å; E32-K35 HydrophobicContact CB-CD 4.15Å; E32-K35 HydrophobicContact CB-CG 4.36Å; E32-K35 PolarHBondContact O-N 3.02Å; E32-K35 WeakPolarHBondContact OE2-CD 3.33Å; E32-K35 WeakPolarHBondContact OE2-CE 3.41Å; E32-K35 IonicContact OE2-NZ 2.66Å; E32-K35 PolarHBondContact OE2-NZ 2.94Å
33E74.9Confident87.1Confident204 Ų20485.9 Ų85.995%0.95346%0.462SS*.THydrogen-bonded Turntrans-56.6126.7177.9-169.9173.3-169.700110.5
34G79.3Confident87.1Confident75 Ų7584.8 Ų84.877%0.77346%0.463SS*.THydrogen-bonded Turntrans87.7-2.7-177.800000115.9E32E32-G34 PolarHBondContact O-N 2.77Å
35K85.1Confident87Confident95 Ų9585.1 Ų85.141%0.41346%0.463SS..  trans-106.822.6175.4-65.6-169.3-179.9166.50114.2E32 D116 F117E32-K35 HydrophobicContact CB-CB 4.41Å; E32-K35 HydrophobicContact CB-CD 4.15Å; E32-K35 HydrophobicContact CB-CG 4.36Å; E32-K35 PolarHBondContact O-N 3.02Å; E32-K35 WeakPolarHBondContact OE2-CD 3.33Å; E32-K35 WeakPolarHBondContact OE2-CE 3.41Å; E32-K35 IonicContact OE2-NZ 2.66Å; E32-K35 PolarHBondContact OE2-NZ 2.94Å; K35-D116 CarbonylContact O-C 3.54Å; K35-D116 VanDerWaalsContact O-CB 3.25Å; K35-D116 WeakPolarHBondContact O-CB 3.4Å; K35-F117 HydrophobicContact CB-CE1 4.14Å; K35-F117 HydrophobicContact CB-CZ 3.86Å; K35-F117 HydrophobicContact CD-CZ 4.47Å; K35-F117 HydrophobicContact CG-CZ 4Å
36V90.5Very high86.9Confident49 Ų4988.5 Ų88.530%0.29747%0.47SS..  trans-120.7132.1-179.1-172.70000110.2A31 Y38 D116A31-V36 HydrophobicContact CB-CG2 3.27Å; V36-Y38 HydrophobicContact CG1-CD2 3.99Å; V36-Y38 HydrophobicContact CG1-CE2 3.45Å; V36-Y38 VanDerWaalsContact CG1-CE2 3.45Å; V36-D116 VanDerWaalsContact CA-O 3.31Å; V36-D116 WeakPolarHBondContact CA-O 3.42Å; V36-D116 HydrophobicContact CG2-CB 4.33Å
37W92.5Very high86.6Confident39 Ų3983.1 Ų83.115%0.14846%0.46CS..  trans-131.5129.6170.7-166.9-86.5000110.8L67 L69 L72 D116 F117 C119W37-L67 WeakPolarHBondContact CH2-O 3.39Å; W37-L69 HydrophobicContact CB-CD1 4.37Å; W37-L69 HydrophobicContact CD2-CB 4.43Å; W37-L69 HydrophobicContact CG-CB 4.33Å; W37-L69 HydrophobicContact CG-CD1 4.23Å; W37-L72 HydrophobicContact CE3-CD1 4.27Å; W37-L72 HydrophobicContact CZ3-CD1 3.97Å; W37-D116 PolarHBondContact N-O 2.63Å; W37-F117 WeakPolarHBondContact CB-O 3.24Å; W37-C119 WeakPolarHBondContact O-CB 3.33Å; W37-C119 PolarHBondContact O-N 3.38Å
38Y93.6Very high86.1Confident112 Ų11285.1 Ų85.144%0.43947%0.472SS..BIsolated β-bridgetrans-101.4111.9177.9-71.2-83.5000110.5V36 P40 C119 L121V36-Y38 HydrophobicContact CG1-CD2 3.99Å; V36-Y38 HydrophobicContact CG1-CE2 3.45Å; V36-Y38 VanDerWaalsContact CG1-CE2 3.45Å; Y38-P40 WeakPolarHBondContact O-CD 3.41Å; Y38-C119 CarbonylContact C-O 3.57Å; Y38-C119 WeakPolarHBondContact CA-O 3.42Å; Y38-C119 HydrophobicContact CD1-CB 3.69Å; Y38-C119 HydrophobicContact CE1-CB 3.72Å; Y38-C119 HydrophobicContact CG-CB 4.35Å; Y38-L121 HydrophobicContact CD1-CD1 4.09Å; Y38-L121 HydrophobicContact CD1-CD2 4Å; Y38-L121 HydrophobicContact CD1-CG 3.58Å; Y38-L121 HydrophobicContact CE1-CD1 4.24Å; Y38-L121 HydrophobicContact CE1-CD2 3.58Å; Y38-L121 HydrophobicContact CE1-CG 3.71Å; Y38-L121 HydrophobicContact CG-CD1 4.48Å; Y38-L121 HydrophobicContact CG-CG 4.39Å
39L95.3Very high85.8Confident17 Ų1785.4 Ų85.49%0.08948%0.478CS..  trans-76.7122.1176.7-68173.3000110.4F58 L69 V118 C119L39-F58 HydrophobicContact CB-CB 4.29Å; L39-F58 HydrophobicContact CB-CD1 4.36Å; L39-F58 HydrophobicContact CD1-CB 4.1Å; L39-L69 HydrophobicContact CD1-CD2 4.39Å; L39-L69 HydrophobicContact CD2-CB 4.41Å; L39-L69 HydrophobicContact CD2-CD2 3.79Å; L39-L69 HydrophobicContact CG-CD2 4.42Å; L39-V118 HydrophobicContact CD1-CB 3.98Å; L39-V118 HydrophobicContact CD1-CG1 4.19Å; L39-C119 PolarHBondContact N-O 3.24Å
40P96.3Very high86Confident66 Ų6684.4 Ų84.443%0.42947%0.474SS..  trans-59.3141.3164.2-2235.4000109.5Y38 D59 A62Y38-P40 WeakPolarHBondContact O-CD 3.41Å; P40-D59 PolarHBondContact O-N 3.18Å; P40-A62 HydrophobicContact CG-CB 3.61Å
41H95.6Very high86.6Confident43 Ų4386.2 Ų86.220%0.19947%0.473CS..EExtended strand (participates in β ladder)trans-133.9156.7174.659.178.2000112.3Y11 V56 V57 F58 L121Y11-H41 AromaticContact CE2-ND1 3.78Å; Y11-H41 AromaticContact CZ-CE1 3.88Å; Y11-H41 AromaticContact CZ-ND1 3.74Å; Y11-H41 PolarHBondContact OH-CE1 3.23Å; Y11-H41 PolarHBondContact OH-ND1 3.05Å; H41-V56 HydrophobicContact CB-CG1 3.99Å; H41-V57 CarbonylContact C-O 3.34Å; H41-V57 WeakPolarHBondContact CA-O 3.22Å; H41-V57 WeakPolarHBondContact CB-O 3.11Å; H41-F58 HydrophobicContact CB-CD1 3.73Å; H41-F58 HydrophobicContact CB-CE1 3.95Å; H41-F58 HydrophobicContact CB-CG 4.35Å; H41-L121 PolarHBondContact CE1-O 2.75Å; H41-L121 PolarHBondContact NE2-O 3Å
42H93.1Very high87.4Confident95 Ų9589 Ų8944%0.4448%0.48SS..EExtended strand (participates in β ladder)trans-152.2157.6175.364-82000111.7V57H42-V57 PolarHBondContact N-O 2.94Å; H42-V57 PolarHBondContact O-N 2.6Å
43A94.2Very high88.1Confident38 Ų3890.8 Ų90.831%0.31449%0.485SS..EExtended strand (participates in β ladder)trans-79.8130.2174.200000111.1Y11 I45Y11-A43 HydrophobicContact CD2-CB 3.86Å; Y11-A43 HydrophobicContact CG-CB 4.35Å; A43-I45 HydrophobicContact CB-CG1 4.41Å
44V94.1Very high88.9Confident41 Ų4182.3 Ų82.325%0.24845%0.449CS..EExtended strand (participates in β ladder)trans-108.5110.3163.9177.30000108.1R46 R55 V57V44-R46 HydrophobicContact CG1-CG 4.15Å; V44-R55 PolarHBondContact N-O 3.09Å; V44-R55 PolarHBondContact O-N 3.12Å; V44-V57 HydrophobicContact CB-CG2 4.23Å; V44-V57 HydrophobicContact CG2-CB 4.41Å; V44-V57 HydrophobicContact CG2-CG2 3.55Å
45I92.4Very high89.6Confident45 Ų4587.3 Ų87.323%0.23144%0.444CS..EExtended strand (participates in β ladder)trans-105.3123.8-179.2-60.1168.9000108.8E7 M10 A43 K52 K53 C54E7-I45 HydrophobicContact CB-CD1 3.45Å; E7-I45 VanDerWaalsContact CB-CD1 3.45Å; E7-I45 HydrophobicContact CG-CD1 3.51Å; M10-I45 HydrophobicContact CB-CD1 4.39Å; M10-I45 HydrophobicContact CE-CG2 4.1Å; M10-I45 HydrophobicContact SD-CD1 4.22Å; M10-I45 HydrophobicContact SD-CG2 4.05Å; A43-I45 HydrophobicContact CB-CG1 4.41Å; I45-K52 HydrophobicContact CG2-CB 4.18Å; I45-K52 HydrophobicContact CG2-CD 4.37Å; I45-K52 HydrophobicContact CG2-CG 4.37Å; I45-K53 WeakPolarHBondContact CA-O 3.25Å; I45-C54 HydrophobicContact CG1-CB 4.09Å
46R91.3Very high90Very high190 Ų19083.3 Ų83.372%0.71743%0.427SS*.EExtended strand (participates in β ladder)trans-133.4146.9179-65.4-174.4-179.4-178.51.3110.5V44 K52 K53V44-R46 HydrophobicContact CG1-CG 4.15Å; R46-K52 WeakPolarHBondContact O-CA 3.43Å; R46-K53 PolarHBondContact N-O 2.82Å; R46-K53 PolarHBondContact O-N 3.44Å
47G88.1Confident90.3Very high54 Ų5483.7 Ų83.756%0.55743%0.43SS*.SBendtrans121.2170.6178.600000113
48T80.1Confident90.5Very high105 Ų10584.6 Ų84.664%0.64444%0.435SS*.SBendtrans-90.6158.6173.452.10000109.8S50 M51 K52T48-S50 PolarHBondContact O-N 2.84Å; T48-M51 CarbonylContact O-C 3.52Å; T48-M51 WeakPolarHBondContact O-CA 3.4Å; T48-M51 PolarHBondContact O-N 2.9Å; T48-K52 PolarHBondContact O-N 3.02Å
49D75.6Confident90.6Very high135 Ų13581.9 Ų81.972%0.72243%0.428SS*.G310 helixtrans-33-56.3-162.4-64.9-40.3000117.6K52D49-K52 WeakPolarHBondContact OD1-CE 3.43Å; D49-K52 IonicContact OD1-NZ 3.78Å; D49-K52 PolarHBondContact OD1-NZ 3.33Å
50S77.4Confident90.6Very high118 Ų11881.7 Ų81.783%0.82543%0.43SS*.G310 helixtrans-81.3-13.2-178.953.50000115T48T48-S50 PolarHBondContact O-N 2.84Å
51M82.4Confident90.5Very high140 Ų14082.3 Ų82.369%0.6944%0.436SS*.G310 helixtrans-114.718-179.7-64.1-172.9179.800112.8T48 K53T48-M51 CarbonylContact O-C 3.52Å; T48-M51 WeakPolarHBondContact O-CA 3.4Å; T48-M51 PolarHBondContact O-N 2.9Å; M51-K53 PolarHBondContact O-N 2.81Å
52K87.4Confident90.6Very high90 Ų9081.5 Ų81.539%0.39144%0.437SS..  trans-63.1121.8175.5-74.5177.6-176.4157.20109.5M10 I45 R46 T48 D49M10-K52 HydrophobicContact CE-CB 3.62Å; M10-K52 WeakPolarHBondContact CE-O 3.38Å; M10-K52 HydrophobicContact SD-CB 4.12Å; I45-K52 HydrophobicContact CG2-CB 4.18Å; I45-K52 HydrophobicContact CG2-CD 4.37Å; I45-K52 HydrophobicContact CG2-CG 4.37Å; R46-K52 WeakPolarHBondContact O-CA 3.43Å; T48-K52 PolarHBondContact O-N 3.02Å; D49-K52 WeakPolarHBondContact OD1-CE 3.43Å; D49-K52 IonicContact OD1-NZ 3.78Å; D49-K52 PolarHBondContact OD1-NZ 3.33Å
53K90.1Very high90.6Very high155 Ų15581.4 Ų81.467%0.67445%0.447SS*.EExtended strand (participates in β ladder)trans-107.9134.8171-64.7-172.2178.3-171.60108.8I45 R46 M51I45-K53 WeakPolarHBondContact CA-O 3.25Å; R46-K53 PolarHBondContact N-O 2.82Å; R46-K53 PolarHBondContact O-N 3.44Å; M51-K53 PolarHBondContact O-N 2.81Å
54C92.9Very high90.5Very high27 Ų2786.9 Ų86.918%0.18246%0.461CS..EExtended strand (participates in β ladder)trans-101.5136.7172.9-177.30000109M10 A14 I45M10-C54 HydrophobicContact CB-CB 3.96Å; M10-C54 HydrophobicContact CE-CB 3.97Å; A14-C54 HydrophobicContact CB-CB 4.37Å; I45-C54 HydrophobicContact CG1-CB 4.09Å
55R93.3Very high90.5Very high180 Ų18092.6 Ų92.668%0.67949%0.485SS*.EExtended strand (participates in β ladder)trans-125.3135.2168.6-65.9-179.1-179.5177.6-2.4108.3V44V44-R55 PolarHBondContact N-O 3.09Å; V44-R55 PolarHBondContact O-N 3.12Å
56V94.9Very high90.7Very high10 Ų1093.7 Ų93.76%0.06151%0.507CS..EExtended strand (participates in β ladder)trans-84126.4170.2-1770000107.6Y11 A14 M15 H41 F58Y11-V56 HydrophobicContact CD2-CG2 4.25Å; Y11-V56 HydrophobicContact CE2-CG1 4.43Å; Y11-V56 HydrophobicContact CE2-CG2 4.2Å; A14-V56 HydrophobicContact CB-CG2 3.97Å; M15-V56 HydrophobicContact CE-CB 4.5Å; M15-V56 HydrophobicContact CE-CG1 3.52Å; M15-V56 HydrophobicContact CE-CG2 4.28Å; M15-V56 HydrophobicContact CG-CG2 4.2Å; M15-V56 HydrophobicContact SD-CB 4.49Å; M15-V56 HydrophobicContact SD-CG1 4.07Å; M15-V56 HydrophobicContact SD-CG2 3.92Å; H41-V56 HydrophobicContact CB-CG1 3.99Å; V56-F58 HydrophobicContact CB-CE2 4.22Å; V56-F58 HydrophobicContact CG1-CD2 4.28Å; V56-F58 HydrophobicContact CG1-CE1 4.22Å; V56-F58 HydrophobicContact CG1-CE2 3.68Å; V56-F58 HydrophobicContact CG1-CZ 3.66Å
57V95.3Very high90.8Very high57 Ų5788.9 Ų88.935%0.34550%0.495SS..EExtended strand (participates in β ladder)trans-107.9123.2174.91770000108H41 H42 V44H41-V57 CarbonylContact C-O 3.34Å; H41-V57 WeakPolarHBondContact CA-O 3.22Å; H41-V57 WeakPolarHBondContact CB-O 3.11Å; H42-V57 PolarHBondContact N-O 2.94Å; H42-V57 PolarHBondContact O-N 2.6Å; V44-V57 HydrophobicContact CB-CG2 4.23Å; V44-V57 HydrophobicContact CG2-CB 4.41Å; V44-V57 HydrophobicContact CG2-CG2 3.55Å
58F96.3Very high91.1Very high59 Ų5986.7 Ų86.726%0.25947%0.471SS..EExtended strand (participates in β ladder)trans-96.2126.8171.3-59.5-89.4000108.8M15 Y18 L39 H41 V56 F120M15-F58 HydrophobicContact CE-CE1 4.28Å; M15-F58 HydrophobicContact CE-CZ 4.15Å; Y18-F58 HydrophobicContact CD1-CE2 4.5Å; Y18-F58 AromaticContact CE1-CE2 3.69Å; Y18-F58 HydrophobicContact CE1-CE2 3.69Å; Y18-F58 HydrophobicContact CE1-CZ 4.18Å; L39-F58 HydrophobicContact CB-CB 4.29Å; L39-F58 HydrophobicContact CB-CD1 4.36Å; L39-F58 HydrophobicContact CD1-CB 4.1Å; H41-F58 HydrophobicContact CB-CD1 3.73Å; H41-F58 HydrophobicContact CB-CE1 3.95Å; H41-F58 HydrophobicContact CB-CG 4.35Å; V56-F58 HydrophobicContact CB-CE2 4.22Å; V56-F58 HydrophobicContact CG1-CD2 4.28Å; V56-F58 HydrophobicContact CG1-CE1 4.22Å; V56-F58 HydrophobicContact CG1-CE2 3.68Å; V56-F58 HydrophobicContact CG1-CZ 3.66Å; F58-F120 HydrophobicContact CD1-CB 4.34Å; F58-F120 HydrophobicContact CD1-CD1 4.28Å; F58-F120 HydrophobicContact CD1-CG 4.38Å; F58-F120 HydrophobicContact CE1-CB 4.04Å; F58-F120 AromaticContact CE1-CD1 3.54Å; F58-F120 HydrophobicContact CE1-CD1 3.54Å; F58-F120 HydrophobicContact CE1-CD2 4.15Å; F58-F120 AromaticContact CE1-CE1 3.99Å; F58-F120 HydrophobicContact CE1-CE1 3.99Å; F58-F120 AromaticContact CE1-CG 3.65Å; F58-F120 HydrophobicContact CE1-CG 3.65Å; F58-F120 HydrophobicContact CE1-CZ 4.46Å; F58-F120 HydrophobicContact CZ-CD1 4.27Å; F58-F120 HydrophobicContact CZ-CE1 4.26Å
59D96.4Very high91.8Very high54 Ų5482.2 Ų82.229%0.28944%0.443SS..  trans-9991-172.5-172-1.6000111.6P40 S61 A62P40-D59 PolarHBondContact O-N 3.18Å; D59-S61 PolarHBondContact O-N 3.25Å; D59-S61 WeakPolarHBondContact OD1-CA 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 3.27Å; D59-S61 PolarHBondContact OD1-N 2.98Å; D59-S61 PolarHBondContact OD1-OG 3.29Å; D59-A62 HydrophobicContact CB-CB 4.31Å; D59-A62 PolarHBondContact O-N 2.82Å; D59-A62 PolarHBondContact OD1-N 2.95Å
60G94.8Very high92.7Very high14 Ų1480.3 Ų80.314%0.14443%0.433CS..THydrogen-bonded Turntrans-71.7-7.9173.600000114.8S68 L69 N70G60-S68 WeakPolarHBondContact O-CB 2.94Å; G60-L69 PolarHBondContact O-N 3.21Å; G60-N70 PolarHBondContact O-N 3.15Å; G60-N70 VanDerWaalsContact O-N 3.15Å
61S95.8Very high93.6Very high78 Ų7880 Ų8055%0.54542%0.422SS..THydrogen-bonded Turntrans-94.8-9.2177.571.90000113.3D59 S63D59-S61 PolarHBondContact O-N 3.25Å; D59-S61 WeakPolarHBondContact OD1-CA 3.3Å; D59-S61 WeakPolarHBondContact OD1-CB 3.27Å; D59-S61 PolarHBondContact OD1-N 2.98Å; D59-S61 PolarHBondContact OD1-OG 3.29Å; S61-S63 PolarHBondContact O-N 2.97Å
62A95.8Very high94Very high26 Ų2678.1 Ų78.122%0.21541%0.414CS..  trans-61.5123.8175.100000110P40 D59P40-A62 HydrophobicContact CG-CB 3.61Å; D59-A62 HydrophobicContact CB-CB 4.31Å; D59-A62 PolarHBondContact O-N 2.82Å; D59-A62 PolarHBondContact OD1-N 2.95Å
63S94.6Very high94.3Very high94 Ų9478.3 Ų78.366%0.65742%0.419SS*.  trans-89.1138.4-177.462.70000112S61 L67S61-S63 PolarHBondContact O-N 2.97Å; S63-L67 CarbonylContact C-O 3.52Å; S63-L67 VanDerWaalsContact CA-O 3.25Å; S63-L67 WeakPolarHBondContact CA-O 3.2Å
64Y92.6Very high94.4Very high152 Ų15277.8 Ų77.860%0.59642%0.424SS*.BIsolated β-bridgetrans-128.1127.1168.3178.8-107000108.2G66 L67Y64-G66 PolarHBondContact O-N 2.94Å; Y64-G66 VanDerWaalsContact O-N 3.09Å; Y64-L67 PolarHBondContact N-O 3.29Å; Y64-L67 PolarHBondContact O-N 3.48Å; Y64-L67 VanDerWaalsContact O-N 3.12Å; Y64-L67 VanDerWaalsContact O-O 3.07Å
65Q93.8Very high94.3Very high162 Ų16282.5 Ų82.576%0.75745%0.454SS*.THydrogen-bonded Turntrans52.531.3-176.5-59.4-177.41.700114.4
66G95Very high94.3Very high67 Ų6776.4 Ų76.469%0.69145%0.447SS*.THydrogen-bonded Turntrans86.32.9176.900000115.6Y64Y64-G66 PolarHBondContact O-N 2.94Å; Y64-G66 VanDerWaalsContact O-N 3.09Å
67L93.7Very high94.2Very high90 Ų9080.3 Ų80.347%0.47147%0.474SS..BIsolated β-bridgetrans-122.1148175.2-65.7166.3000110W37 S63 Y64 L72W37-L67 WeakPolarHBondContact CH2-O 3.39Å; S63-L67 CarbonylContact C-O 3.52Å; S63-L67 VanDerWaalsContact CA-O 3.25Å; S63-L67 WeakPolarHBondContact CA-O 3.2Å; Y64-L67 PolarHBondContact N-O 3.29Å; Y64-L67 PolarHBondContact O-N 3.48Å; Y64-L67 VanDerWaalsContact O-N 3.12Å; Y64-L67 VanDerWaalsContact O-O 3.07Å; L67-L72 HydrophobicContact CD1-CD2 4.29Å
68S95.1Very high93.9Very high7 Ų782.4 Ų82.45%0.04950%0.498CS..  trans-113.4163.8167.571.40000110.7G60 N70 D71 L72G60-S68 WeakPolarHBondContact O-CB 2.94Å; S68-N70 PolarHBondContact O-N 3.31Å; S68-D71 WeakPolarHBondContact CB-OD2 3.44Å; S68-D71 PolarHBondContact N-OD2 3.28Å; S68-D71 WeakPolarHBondContact O-CB 3.25Å; S68-D71 PolarHBondContact O-N 2.69Å; S68-D71 PolarHBondContact OG-N 3.44Å; S68-D71 PolarHBondContact OG-OD2 3.18Å; S68-L72 PolarHBondContact O-N 2.66Å
69L94.4Very high93.6Very high12 Ų1286.9 Ų86.96%0.06352%0.524CS..Hα-helixtrans-56.7-41.7174.9-179.664.2000110.7W37 L39 G60 D71 L72 L73 F117 V118W37-L69 HydrophobicContact CB-CD1 4.37Å; W37-L69 HydrophobicContact CD2-CB 4.43Å; W37-L69 HydrophobicContact CG-CB 4.33Å; W37-L69 HydrophobicContact CG-CD1 4.23Å; L39-L69 HydrophobicContact CD1-CD2 4.39Å; L39-L69 HydrophobicContact CD2-CB 4.41Å; L39-L69 HydrophobicContact CD2-CD2 3.79Å; L39-L69 HydrophobicContact CG-CD2 4.42Å; G60-L69 PolarHBondContact O-N 3.21Å; L69-D71 PolarHBondContact O-N 3.24Å; L69-L72 PolarHBondContact O-N 2.98Å; L69-L73 HydrophobicContact CD1-CD2 4.38Å; L69-L73 HydrophobicContact CD1-CG 4.27Å; L69-L73 HydrophobicContact CD2-CD1 4.43Å; L69-L73 HydrophobicContact CG-CD1 3.99Å; L69-L73 HydrophobicContact CG-CG 4.21Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 3.36Å; L69-F117 HydrophobicContact CD1-CB 4.32Å; L69-F117 WeakPolarHBondContact CD2-O 3.49Å; L69-V118 HydrophobicContact CD2-CG1 4.19Å
70N95.2Very high93.3Very high95 Ų9593 Ų9351%0.50855%0.55SS.*Hα-helixtrans-60.8-28.5178.5-69.9-15.9000113.5G60 S68 L72G60-N70 PolarHBondContact O-N 3.15Å; G60-N70 VanDerWaalsContact O-N 3.15Å; S68-N70 PolarHBondContact O-N 3.31Å; N70-L72 VanDerWaalsContact C-N 3.3Å
71D95Very high93Very high111 Ų11197.7 Ų97.759%0.59457%0.572SS**Hα-helixtrans-76.7-20.3176.7-58.2-50.2000112.5S68 L69S68-D71 WeakPolarHBondContact CB-OD2 3.44Å; S68-D71 PolarHBondContact N-OD2 3.28Å; S68-D71 WeakPolarHBondContact O-CB 3.25Å; S68-D71 PolarHBondContact O-N 2.69Å; S68-D71 PolarHBondContact OG-N 3.44Å; S68-D71 PolarHBondContact OG-OD2 3.18Å; L69-D71 PolarHBondContact O-N 3.24Å
72L92.5Very high92.8Very high100 Ų10098.2 Ų98.252%0.52457%0.569SS.*Hα-helixtrans-96.5-18.8-176.2-64.4176.2000113.4W37 L67 S68 L69 N70W37-L72 HydrophobicContact CE3-CD1 4.27Å; W37-L72 HydrophobicContact CZ3-CD1 3.97Å; L67-L72 HydrophobicContact CD1-CD2 4.29Å; S68-L72 PolarHBondContact O-N 2.66Å; L69-L72 PolarHBondContact O-N 2.98Å; N70-L72 VanDerWaalsContact C-N 3.3Å
73L93.1Very high92.7Very high95 Ų95102.9 Ų102.950%0.49759%0.59SS.*SBendtrans-80.7135.6179.6-67.9172.8000111.5L69 P75L69-L73 HydrophobicContact CD1-CD2 4.38Å; L69-L73 HydrophobicContact CD1-CG 4.27Å; L69-L73 HydrophobicContact CD2-CD1 4.43Å; L69-L73 HydrophobicContact CG-CD1 3.99Å; L69-L73 HydrophobicContact CG-CG 4.21Å; L69-L73 WeakPolarHBondContact O-CG 3.25Å; L69-L73 PolarHBondContact O-N 3.36Å; L73-P75 WeakPolarHBondContact O-CD 3.41Å
74D92.8Very high92.7Very high144 Ų144102.7 Ų102.777%0.7758%0.584SS**  trans-74.4117.3165.4-174.3-13.7000108.7G76D74-G76 PolarHBondContact O-N 3.44Å; D74-G76 VanDerWaalsContact O-N 3.16Å; D74-G76 PolarHBondContact OD1-N 3.06Å
75P90.5Very high92.7Very high126 Ų12697.6 Ų97.682%0.81857%0.571SS**  trans-64.9-18.1179.628-36.6000113.1L73L73-P75 WeakPolarHBondContact O-CD 3.41Å
76G92.6Very high92.6Very high51 Ų5192.4 Ų92.453%0.52655%0.548SS..  trans61.6-166.4-174.900000112.9D74D74-G76 PolarHBondContact O-N 3.44Å; D74-G76 VanDerWaalsContact O-N 3.16Å; D74-G76 PolarHBondContact OD1-N 3.06Å
77S93Very high92.6Very high92 Ų9293.9 Ų93.964%0.64354%0.539SS*.SBendtrans-76.5147.317771.30000111.7L79S77-L79 PolarHBondContact O-N 3.4Å
78A89.7Confident92.6Very high101 Ų10194.3 Ų94.384%0.83554%0.542SS*.  trans-64.7102.6173.700000110.7Q80A78-Q80 VanDerWaalsContact C-N 3.33Å
79L89.2Confident92.4Very high154 Ų154101.2 Ų101.281%0.80657%0.567SS**  trans-81.1-12.5178.9-61.3179.4000113.4S77 N81S77-L79 PolarHBondContact O-N 3.4Å; L79-N81 PolarHBondContact O-N 2.64Å
80Q89.4Confident92.3Very high181 Ų181105.3 Ų105.385%0.84658%0.582SS**SBendtrans-73127.9-177.8-63.3-179.322.500110.7A78A78-Q80 VanDerWaalsContact C-N 3.33Å
81N89Confident92.1Very high113 Ų113110.1 Ų110.160%0.60459%0.593SS**PPolyproline II helixtrans-62.1144.4172-74.8-60.5000110.6L79 L83 I86L79-N81 PolarHBondContact O-N 2.64Å; N81-L83 PolarHBondContact O-N 2.91Å; N81-L83 VanDerWaalsContact O-N 3.16Å; N81-I86 HydrophobicContact CB-CD1 3.61Å; N81-I86 HydrophobicContact CB-CG1 3.99Å
82D92.3Very high92Very high89 Ų89114.9 Ų114.948%0.47660%0.602SS.*PPolyproline II helixtrans-56.9120.6173.6168.951.8000111V84 S85 I86D82-V84 VanDerWaalsContact C-N 3.26Å; D82-V84 PolarHBondContact O-N 3.38Å; D82-V84 PolarHBondContact OD1-N 3.19Å; D82-V84 WeakPolarHBondContact OD2-CB 3.5Å; D82-S85 WeakPolarHBondContact O-CB 3.46Å; D82-S85 PolarHBondContact O-N 2.93Å; D82-S85 VanDerWaalsContact O-N 3.16Å; D82-S85 VanDerWaalsContact OD2-CB 3.24Å; D82-S85 WeakPolarHBondContact OD2-CB 3.5Å; D82-S85 PolarHBondContact OD2-N 3.5Å; D82-S85 PolarHBondContact OD2-OG 2.92Å; D82-I86 WeakPolarHBondContact O-CG1 3.49Å; D82-I86 PolarHBondContact O-N 3.15Å
83L92.9Very high91.9Very high125 Ų125116.4 Ų116.465%0.65461%0.611SS**Hα-helixtrans-60.7-36.8-176.8-69.1176.8000111.5N81 I86 L87N81-L83 PolarHBondContact O-N 2.91Å; N81-L83 VanDerWaalsContact O-N 3.16Å; L83-I86 HydrophobicContact CD2-CD1 4.34Å; L83-I86 PolarHBondContact O-N 3.42Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 VanDerWaalsContact O-CG 3.28Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 2.72Å
84V94.4Very high91.9Very high89 Ų89122.7 Ų122.754%0.53963%0.628SS.*Hα-helixtrans-63.5-46178179.30000110D82 I86 L87 L88D82-V84 VanDerWaalsContact C-N 3.26Å; D82-V84 PolarHBondContact O-N 3.38Å; D82-V84 PolarHBondContact OD1-N 3.19Å; D82-V84 WeakPolarHBondContact OD2-CB 3.5Å; V84-I86 VanDerWaalsContact C-N 3.34Å; V84-I86 PolarHBondContact O-N 2.87Å; V84-L87 PolarHBondContact O-N 3.23Å; V84-L88 HydrophobicContact CG1-CD1 4.07Å; V84-L88 HydrophobicContact CG1-CG 4.33Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 VanDerWaalsContact O-CG 3.32Å; V84-L88 WeakPolarHBondContact O-CG 3.35Å; V84-L88 PolarHBondContact O-N 3.35Å
85S93.3Very high91.9Very high45 Ų45123.3 Ų123.332%0.31562%0.624SS.*Hα-helixtrans-60.1-41.3176-650000112.5D82 R89D82-S85 WeakPolarHBondContact O-CB 3.46Å; D82-S85 PolarHBondContact O-N 2.93Å; D82-S85 VanDerWaalsContact O-N 3.16Å; D82-S85 VanDerWaalsContact OD2-CB 3.24Å; D82-S85 WeakPolarHBondContact OD2-CB 3.5Å; D82-S85 PolarHBondContact OD2-N 3.5Å; D82-S85 PolarHBondContact OD2-OG 2.92Å; S85-R89 WeakPolarHBondContact O-CG 3.5Å; S85-R89 PolarHBondContact O-N 3.49Å; S85-R89 VanDerWaalsContact O-N 3.09Å
86I92.8Very high92Very high54 Ų54120.2 Ų120.228%0.27761%0.609SS.*Hα-helixtrans-60.9-50.8174-67.1163.1000110.3N81 D82 L83 V84 L88 R89 Y90N81-I86 HydrophobicContact CB-CD1 3.61Å; N81-I86 HydrophobicContact CB-CG1 3.99Å; D82-I86 WeakPolarHBondContact O-CG1 3.49Å; D82-I86 PolarHBondContact O-N 3.15Å; L83-I86 HydrophobicContact CD2-CD1 4.34Å; L83-I86 PolarHBondContact O-N 3.42Å; V84-I86 VanDerWaalsContact C-N 3.34Å; V84-I86 PolarHBondContact O-N 2.87Å; I86-L88 VanDerWaalsContact C-N 3.34Å; I86-L88 PolarHBondContact O-N 3.22Å; I86-R89 PolarHBondContact O-N 3.17Å; I86-Y90 HydrophobicContact CG2-CD2 3.95Å; I86-Y90 HydrophobicContact CG2-CE2 4.14Å; I86-Y90 PolarHBondContact O-N 2.99Å
87L93.4Very high92Very high98 Ų98124 Ų12451%0.51362%0.622SS.*Hα-helixtrans-63-38.8-178.5-70.3173.9000112.5L83 V84 Y90 R91L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 VanDerWaalsContact O-CG 3.28Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 2.72Å; V84-L87 PolarHBondContact O-N 3.23Å; L87-Y90 PolarHBondContact O-N 3.18Å; L87-R91 WeakPolarHBondContact O-CG 3.4Å; L87-R91 PolarHBondContact O-N 3.17Å; L87-R91 VanDerWaalsContact O-N 3.12Å
88L94Very high91.9Very high99 Ų99127.6 Ų127.652%0.51863%0.628SS.*Hα-helixtrans-62.5-44.8174.7-73.2175.2000111.2V84 I86 R91 R92V84-L88 HydrophobicContact CG1-CD1 4.07Å; V84-L88 HydrophobicContact CG1-CG 4.33Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 VanDerWaalsContact O-CG 3.32Å; V84-L88 WeakPolarHBondContact O-CG 3.35Å; V84-L88 PolarHBondContact O-N 3.35Å; I86-L88 VanDerWaalsContact C-N 3.34Å; I86-L88 PolarHBondContact O-N 3.22Å; L88-R91 PolarHBondContact O-N 3.38Å; L88-R92 WeakPolarHBondContact O-CG 3.48Å; L88-R92 PolarHBondContact O-N 3.33Å
89R92Very high92.1Very high152 Ų152127 Ų12757%0.57462%0.623SS**Hα-helixtrans-63-42.9175.8-70.2173.1-166.6159.85.1112S85 I86 R91 R92S85-R89 WeakPolarHBondContact O-CG 3.5Å; S85-R89 PolarHBondContact O-N 3.49Å; S85-R89 VanDerWaalsContact O-N 3.09Å; I86-R89 PolarHBondContact O-N 3.17Å; R89-R91 PolarHBondContact O-N 3.49Å; R89-R92 WeakPolarHBondContact O-CB 3.34Å; R89-R92 PolarHBondContact O-N 3.07Å
90Y90.7Very high92.3Very high97 Ų97126.9 Ų126.938%0.3862%0.623SS.*Hα-helixtrans-56-35.7175.2-104.3-107.2000112.4I86 L87 A96 V97I86-Y90 HydrophobicContact CG2-CD2 3.95Å; I86-Y90 HydrophobicContact CG2-CE2 4.14Å; I86-Y90 PolarHBondContact O-N 2.99Å; L87-Y90 PolarHBondContact O-N 3.18Å; Y90-A96 HydrophobicContact CD1-CB 3.37Å; Y90-A96 HydrophobicContact CE1-CB 3.58Å; Y90-A96 HydrophobicContact CG-CB 4.29Å; Y90-V97 PolarHBondContact OH-O 2.87Å
91R92.1Very high92.4Very high196 Ų196122.3 Ų122.374%0.7461%0.608SS**Hα-helixtrans-79.2-13178.1-73.3179.8175.2139.1-0.5114.9L87 L88 R89 L93L87-R91 WeakPolarHBondContact O-CG 3.4Å; L87-R91 PolarHBondContact O-N 3.17Å; L87-R91 VanDerWaalsContact O-N 3.12Å; L88-R91 PolarHBondContact O-N 3.38Å; R89-R91 PolarHBondContact O-N 3.49Å; R91-L93 VanDerWaalsContact C-N 3.32Å; R91-L93 PolarHBondContact O-N 3.04Å
92R93.1Very high92.5Very high211 Ų211123.6 Ų123.680%0.79661%0.61SS**Hα-helixtrans-72.8-25.2-177.2-67.5-179.586.2-176.56.5113.2L88 R89L88-R92 WeakPolarHBondContact O-CG 3.48Å; L88-R92 PolarHBondContact O-N 3.33Å; R89-R92 WeakPolarHBondContact O-CB 3.34Å; R89-R92 PolarHBondContact O-N 3.07Å
93L90.6Very high92.4Very high133 Ų133121 Ų12170%0.69660%0.601SS**SBendtrans-109.4152.5-176.8-58.8172.6000110.1R91 F95R91-L93 VanDerWaalsContact C-N 3.32Å; R91-L93 PolarHBondContact O-N 3.04Å; L93-F95 PolarHBondContact O-N 3.16Å
94R92.6Very high92.4Very high226 Ų226118.5 Ų118.585%0.85359%0.591SS**SBendtrans-64.6-27.6178.6-178.4176.1175.9179.5-0.4112.9
95F93.4Very high92.2Very high157 Ų157123.5 Ų123.569%0.68961%0.606SS**  trans-130.3139.5-176.8-55.5-70.3000109.5L93L93-F95 PolarHBondContact O-N 3.16Å
96A91.6Very high92.2Very high61 Ų61124.4 Ų124.450%0.50461%0.607SS.*  trans-132.7145.6174.900000109.5Y90Y90-A96 HydrophobicContact CD1-CB 3.37Å; Y90-A96 HydrophobicContact CE1-CB 3.58Å; Y90-A96 HydrophobicContact CG-CB 4.29Å
97V91.8Very high92.1Very high132 Ų132127.7 Ų127.780%0.862%0.621SS**  trans-119.9128179.6-179.50000107.9Y90Y90-V97 PolarHBondContact OH-O 2.87Å
98Q92.4Very high92.1Very high166 Ų166127.7 Ų127.778%0.77663%0.626SS**  trans-123.9141.2175.9-179-177.9-4400108.3
99A94.4Very high92Very high89 Ų89130.6 Ų130.674%0.73664%0.636SS**  trans-138147.9169.900000108.6
100D92.8Very high92.1Very high151 Ų151127.3 Ų127.381%0.80763%0.63SS**PPolyproline II helixtrans-92.1142.6165.458.8-25.1000109.8
101V91.7Very high92.2Very high86 Ų86129 Ų12952%0.52164%0.641SS.*PPolyproline II helixtrans-101.2116.9171.3177.40000106.4A103 T104V101-A103 PolarHBondContact O-N 3.16Å; V101-T104 WeakPolarHBondContact CB-OG1 3.28Å; V101-T104 HydrophobicContact CG1-CG2 4.31Å; V101-T104 WeakPolarHBondContact CG1-OG1 3.46Å; V101-T104 PolarHBondContact O-OG1 3.48Å
102E90.2Very high92.2Very high140 Ų140127.3 Ų127.365%0.65464%0.642SS**THydrogen-bonded Turntrans-64.1127-179.9-173.4-178.9165.600109.8K21 T104 Q107K21-E102 IonicContact NZ-OE1 3.72Å; E102-T104 VanDerWaalsContact C-N 3.3Å; E102-T104 PolarHBondContact O-N 2.94Å; E102-Q107 PolarHBondContact O-NE2 3.41Å
103A90.1Very high92Very high34 Ų34124.7 Ų124.728%0.28164%0.638SS.*THydrogen-bonded Turntrans56.435.8173.500000115.1W23 V101 F105 L106 Q107W23-A103 HydrophobicContact CH2-CB 3.63Å; W23-A103 HydrophobicContact CZ2-CB 3.51Å; V101-A103 PolarHBondContact O-N 3.16Å; A103-F105 VanDerWaalsContact C-N 3.26Å; A103-F105 PolarHBondContact O-N 2.92Å; A103-F105 VanDerWaalsContact O-N 3.07Å; A103-L106 HydrophobicContact CB-CB 4.28Å; A103-L106 HydrophobicContact CB-CD1 4.23Å; A103-L106 WeakPolarHBondContact O-CA 3.49Å; A103-L106 PolarHBondContact O-N 3.23Å; A103-Q107 PolarHBondContact O-N 2.93Å; A103-Q107 VanDerWaalsContact O-N 3.17Å
104T92.4Very high92Very high73 Ų73121.6 Ų121.645%0.44862%0.622SS.*G310 helixtrans-45.8-44.2-177-43.10000114.4V101 E102 L106 Q107 T108V101-T104 WeakPolarHBondContact CB-OG1 3.28Å; V101-T104 HydrophobicContact CG1-CG2 4.31Å; V101-T104 WeakPolarHBondContact CG1-OG1 3.46Å; V101-T104 PolarHBondContact O-OG1 3.48Å; E102-T104 VanDerWaalsContact C-N 3.3Å; E102-T104 PolarHBondContact O-N 2.94Å; T104-L106 VanDerWaalsContact C-N 3.31Å; T104-L106 PolarHBondContact O-N 2.94Å; T104-Q107 PolarHBondContact O-N 3.19Å; T104-T108 PolarHBondContact O-N 3.41Å; T104-T108 PolarHBondContact O-OG1 3.12Å
105F91.3Very high92Very high194 Ų194114.1 Ų114.185%0.85159%0.594SS**G310 helixtrans-65.6-33.3180-67.8-64.8000113.2A103 Q107 T108A103-F105 VanDerWaalsContact C-N 3.26Å; A103-F105 PolarHBondContact O-N 2.92Å; A103-F105 VanDerWaalsContact O-N 3.07Å; F105-Q107 VanDerWaalsContact C-N 3.28Å; F105-T108 PolarHBondContact O-N 3.44Å
106L93.1Very high92Very high64 Ų64108.8 Ų108.834%0.33557%0.573SS.*G310 helixtrans-80-14177.7-58.6173.5000112Y18 W23 A103 T104 T108Y18-L106 HydrophobicContact CE1-CD1 4.18Å; Y18-L106 HydrophobicContact CE1-CD2 4.21Å; W23-L106 HydrophobicContact CD2-CB 3.66Å; W23-L106 HydrophobicContact CD2-CD1 3.8Å; W23-L106 HydrophobicContact CD2-CG 4.23Å; W23-L106 HydrophobicContact CE3-CB 4.22Å; W23-L106 HydrophobicContact CE3-CD1 3.42Å; W23-L106 VanDerWaalsContact CE3-CD1 3.42Å; W23-L106 HydrophobicContact CE3-CG 4.32Å; W23-L106 HydrophobicContact CG-CB 3.83Å; W23-L106 HydrophobicContact CH2-CB 4.48Å; W23-L106 HydrophobicContact CH2-CD1 3.7Å; W23-L106 HydrophobicContact CZ2-CB 3.97Å; W23-L106 HydrophobicContact CZ2-CD1 4.07Å; W23-L106 HydrophobicContact CZ3-CD1 3.38Å; W23-L106 PolarHBondContact NE1-O 3.5Å; A103-L106 HydrophobicContact CB-CB 4.28Å; A103-L106 HydrophobicContact CB-CD1 4.23Å; A103-L106 WeakPolarHBondContact O-CA 3.49Å; A103-L106 PolarHBondContact O-N 3.23Å; T104-L106 VanDerWaalsContact C-N 3.31Å; T104-L106 PolarHBondContact O-N 2.94Å; L106-T108 VanDerWaalsContact C-N 3.33Å
107Q91.3Very high92Very high122 Ų122108.9 Ų108.957%0.5756%0.562SS**G310 helixtrans-83.8-9.4171.2-60.6-173.424.100112.8E102 A103 T104 F105E102-Q107 PolarHBondContact O-NE2 3.41Å; A103-Q107 PolarHBondContact O-N 2.93Å; A103-Q107 VanDerWaalsContact O-N 3.17Å; T104-Q107 PolarHBondContact O-N 3.19Å; F105-Q107 VanDerWaalsContact C-N 3.28Å
108T91.9Very high92.1Very high99 Ų99105.3 Ų105.361%0.60754%0.541SS*.SBendtrans-95.4118.5176.4-56.40000109.2T104 F105 L106T104-T108 PolarHBondContact O-N 3.41Å; T104-T108 PolarHBondContact O-OG1 3.12Å; F105-T108 PolarHBondContact O-N 3.44Å; L106-T108 VanDerWaalsContact C-N 3.33Å
109E93.4Very high92.2Very high160 Ų16097.8 Ų97.875%0.74851%0.506SS*.PPolyproline II helixtrans-75140.6175.7-66.4-177.6-171.900111.6
110L93.5Very high92.2Very high83 Ų8396.6 Ų96.644%0.43548%0.484SS..PPolyproline II helixtrans-79.1146167.3-68.4175.6000110.3R115 V118L110-R115 HydrophobicContact CB-CG 4.08Å; L110-R115 PolarHBondContact O-NE 2.86Å; L110-V118 HydrophobicContact CD1-CG1 4.42Å; L110-V118 HydrophobicContact CD1-CG2 3.53Å
111Q93.2Very high92Very high131 Ų13198.1 Ų98.161%0.61249%0.491SS*.PPolyproline II helixtrans-57.1144.6169.6-63.8-60.8-3900109.3E113 D114 R115Q111-E113 HydrophobicContact CB-CG 4.08Å; Q111-E113 PolarHBondContact O-N 3.32Å; Q111-E113 VanDerWaalsContact O-N 3.15Å; Q111-D114 PolarHBondContact O-N 3.16Å; Q111-R115 WeakPolarHBondContact O-CG 3.32Å; Q111-R115 PolarHBondContact O-N 2.99Å
112Q91.2Very high92Very high162 Ų16298.7 Ų98.776%0.75749%0.49SS*.G310 helixtrans-56.6-34.9-175-171.8174.616.100112.5D114Q112-D114 PolarHBondContact O-N 2.78Å
113E89.6Confident92.1Very high155 Ų15596.5 Ų96.572%0.72448%0.481SS*.G310 helixtrans-68.3-17.4177.660.1-168.3-121.600114.7Q111Q111-E113 HydrophobicContact CB-CG 4.08Å; Q111-E113 PolarHBondContact O-N 3.32Å; Q111-E113 VanDerWaalsContact O-N 3.15Å
114D91.4Very high92.2Very high68 Ų68100 Ų10036%0.36449%0.492SS..G310 helixtrans-103.8-10.7-174.7-65.3-39.2000113.9Q111 Q112 D116 F117Q111-D114 PolarHBondContact O-N 3.16Å; Q112-D114 PolarHBondContact O-N 2.78Å; D114-D116 VanDerWaalsContact C-N 3.32Å; D114-D116 PolarHBondContact O-N 3.45Å; D114-F117 WeakPolarHBondContact O-CD2 3.47Å; D114-F117 PolarHBondContact O-N 3.33Å
115R92.4Very high92.2Very high70 Ų70101.6 Ų101.626%0.26450%0.495SS..G310 helixtrans-66.7-33.8-170.1-58.8-172.8-177.2176.2-5.4113.1E25 L110 Q111 F117 V118E25-R115 VanDerWaalsContact CD-NH1 3.3Å; E25-R115 WeakPolarHBondContact OE1-CD 3.31Å; E25-R115 IonicContact OE1-CZ 3.79Å; E25-R115 IonicContact OE1-NE 2.69Å; E25-R115 IonicContact OE1-NH1 2.74Å; E25-R115 PolarHBondContact OE1-NH1 3.31Å; E25-R115 IonicContact OE2-NH1 3.75Å; E25-R115 PolarHBondContact OE2-NH1 2.96Å; L110-R115 HydrophobicContact CB-CG 4.08Å; L110-R115 PolarHBondContact O-NE 2.86Å; Q111-R115 WeakPolarHBondContact O-CG 3.32Å; Q111-R115 PolarHBondContact O-N 2.99Å; R115-F117 PolarHBondContact O-N 3.49Å; R115-V118 VanDerWaalsContact O-CG2 3.25Å; R115-V118 WeakPolarHBondContact O-CG2 3.48Å; R115-V118 PolarHBondContact O-N 3.06Å
116D92.2Very high92.3Very high45 Ų4595.8 Ų95.824%0.24147%0.473CS..G310 helixtrans-69.4-13.7-178.9-71.1-25.1000113A31 K35 V36 W37 D114 V118 C119A31-D116 HydrophobicContact CB-CB 4.38Å; A31-D116 VanDerWaalsContact CB-OD2 3.25Å; A31-D116 WeakPolarHBondContact CB-OD2 3.36Å; K35-D116 CarbonylContact O-C 3.54Å; K35-D116 VanDerWaalsContact O-CB 3.25Å; K35-D116 WeakPolarHBondContact O-CB 3.4Å; V36-D116 VanDerWaalsContact CA-O 3.31Å; V36-D116 WeakPolarHBondContact CA-O 3.42Å; V36-D116 HydrophobicContact CG2-CB 4.33Å; W37-D116 PolarHBondContact N-O 2.63Å; D114-D116 VanDerWaalsContact C-N 3.32Å; D114-D116 PolarHBondContact O-N 3.45Å; D116-V118 VanDerWaalsContact C-N 3.28Å; D116-V118 PolarHBondContact O-N 3.26Å; D116-C119 PolarHBondContact O-SG 3.09Å; D116-C119 VanDerWaalsContact O-SG 3.42Å
117F92.3Very high92.2Very high63 Ų6397.9 Ų97.928%0.27648%0.482SS..G310 helixtrans-80.8-1.7174.1-62-72000114.2K35 W37 L69 D114 R115K35-F117 HydrophobicContact CB-CE1 4.14Å; K35-F117 HydrophobicContact CB-CZ 3.86Å; K35-F117 HydrophobicContact CD-CZ 4.47Å; K35-F117 HydrophobicContact CG-CZ 4Å; W37-F117 WeakPolarHBondContact CB-O 3.24Å; L69-F117 HydrophobicContact CD1-CB 4.32Å; L69-F117 WeakPolarHBondContact CD2-O 3.49Å; D114-F117 WeakPolarHBondContact O-CD2 3.47Å; D114-F117 PolarHBondContact O-N 3.33Å; R115-F117 PolarHBondContact O-N 3.49Å
118V93.6Very high92.3Very high57 Ų5796.2 Ų96.235%0.34548%0.476SS..G310 helixtrans-130.326.5-179.6-63.60000113L39 L69 L110 R115 D116L39-V118 HydrophobicContact CD1-CB 3.98Å; L39-V118 HydrophobicContact CD1-CG1 4.19Å; L69-V118 HydrophobicContact CD2-CG1 4.19Å; L110-V118 HydrophobicContact CD1-CG1 4.42Å; L110-V118 HydrophobicContact CD1-CG2 3.53Å; R115-V118 VanDerWaalsContact O-CG2 3.25Å; R115-V118 WeakPolarHBondContact O-CG2 3.48Å; R115-V118 PolarHBondContact O-N 3.06Å; D116-V118 VanDerWaalsContact C-N 3.28Å; D116-V118 PolarHBondContact O-N 3.26Å
119C94.2Very high92.3Very high7 Ų796 Ų965%0.04747%0.465CS..BIsolated β-bridgetrans-62.4161.5176-68.90000112.4W37 Y38 L39 D116W37-C119 WeakPolarHBondContact O-CB 3.33Å; W37-C119 PolarHBondContact O-N 3.38Å; Y38-C119 CarbonylContact C-O 3.57Å; Y38-C119 WeakPolarHBondContact CA-O 3.42Å; Y38-C119 HydrophobicContact CD1-CB 3.69Å; Y38-C119 HydrophobicContact CE1-CB 3.72Å; Y38-C119 HydrophobicContact CG-CB 4.35Å; L39-C119 PolarHBondContact N-O 3.24Å; D116-C119 PolarHBondContact O-SG 3.09Å; D116-C119 VanDerWaalsContact O-SG 3.42Å
120F93.9Very high92.2Very high65 Ų6590.7 Ų90.729%0.28544%0.442SS..  trans-151.6159.9173.658.4-89.7000111.4M15 V24 F58M15-F120 HydrophobicContact CE-CD2 4.2Å; M15-F120 HydrophobicContact CE-CE2 4.07Å; M15-F120 HydrophobicContact SD-CE2 4.35Å; V24-F120 HydrophobicContact CB-CE1 4.42Å; V24-F120 HydrophobicContact CB-CZ 4.22Å; V24-F120 HydrophobicContact CG1-CE1 3.8Å; V24-F120 HydrophobicContact CG1-CZ 3.8Å; F58-F120 HydrophobicContact CD1-CB 4.34Å; F58-F120 HydrophobicContact CD1-CD1 4.28Å; F58-F120 HydrophobicContact CD1-CG 4.38Å; F58-F120 HydrophobicContact CE1-CB 4.04Å; F58-F120 AromaticContact CE1-CD1 3.54Å; F58-F120 HydrophobicContact CE1-CD1 3.54Å; F58-F120 HydrophobicContact CE1-CD2 4.15Å; F58-F120 AromaticContact CE1-CE1 3.99Å; F58-F120 HydrophobicContact CE1-CE1 3.99Å; F58-F120 AromaticContact CE1-CG 3.65Å; F58-F120 HydrophobicContact CE1-CG 3.65Å; F58-F120 HydrophobicContact CE1-CZ 4.46Å; F58-F120 HydrophobicContact CZ-CD1 4.27Å; F58-F120 HydrophobicContact CZ-CE1 4.26Å
121L89.3Confident92.1Very high182 Ų18291.4 Ų91.495%0.95344%0.443SS*.  trans-122.80-178-63.5176000112.6Y38 H41Y38-L121 HydrophobicContact CD1-CD1 4.09Å; Y38-L121 HydrophobicContact CD1-CD2 4Å; Y38-L121 HydrophobicContact CD1-CG 3.58Å; Y38-L121 HydrophobicContact CE1-CD1 4.24Å; Y38-L121 HydrophobicContact CE1-CD2 3.58Å; Y38-L121 HydrophobicContact CE1-CG 3.71Å; Y38-L121 HydrophobicContact CG-CD1 4.48Å; Y38-L121 HydrophobicContact CG-CG 4.39Å; H41-L121 PolarHBondContact CE1-O 2.75Å; H41-L121 PolarHBondContact NE2-O 3Å

Retrieved 121 of 121 residues in 175.9 ms (Link to these results)

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