A0A087YKQ5_POEFO Loading...

Zinc finger HIT domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A087YKQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 145 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
1M64.5Low85.2Confident237 Ų23794.2 Ų94.2100%1.16751%0.507SS*.  0114.60-64.9176.1-179.900107.7
2Q76.1Confident85.6Confident129 Ų12988.8 Ų88.860%0.60348%0.481SS*.  trans-79.1133174.9-67.9-160.1-45.700109P12Q2-P12 HydrophobicContact CB-CG 4.35Å; Q2-P12 WeakPolarHBondContact O-CD 3.47Å
3I89.6Confident85.9Confident91 Ų9194.5 Ų94.547%0.46750%0.498SS..  trans-11315617851166.5000109.5S5 S8I3-S5 PolarHBondContact O-N 2.95Å; I3-S8 WeakPolarHBondContact CD1-O 3.16Å
4C91.1Very high86Confident0 Ų096.8 Ų96.80%050%0.498CS..  trans-51.4123.3178.8178.90000111.2V6 C7 S8 Q10 Y23 C24 C28C4-V6 PolarHBondContact O-N 3.05Å; C4-V6 VanDerWaalsContact O-N 3.13Å; C4-V6 PolarHBondContact SG-N 3.38Å; C4-C7 PolarHBondContact SG-N 3.38Å; C4-C7 VanDerWaalsContact SG-N 3.42Å; C4-S8 WeakPolarHBondContact O-CA 3.32Å; C4-S8 PolarHBondContact O-N 2.73Å; C4-Q10 VanDerWaalsContact CB-O 3.29Å; C4-Q10 WeakPolarHBondContact CB-O 3.34Å; C4-Q10 PolarHBondContact N-O 3.37Å; C4-Y23 VanDerWaalsContact SG-CA 3.55Å; C4-C24 HydrophobicContact CB-CB 3.93Å; C4-C24 PolarHBondContact SG-N 2.9Å; C4-C24 VanDerWaalsContact SG-SG 3.64Å; C4-C28 VanDerWaalsContact SG-SG 3.6Å
5S87.3Confident86.1Confident78 Ų7899.1 Ų99.155%0.54550%0.498SS..THydrogen-bonded Turntrans-70.4-6.8178.9-53.60000113.8I3 R22I3-S5 PolarHBondContact O-N 2.95Å; S5-R22 WeakPolarHBondContact CB-O 3.5Å; S5-R22 PolarHBondContact N-O 3.39Å; S5-R22 PolarHBondContact OG-O 3.04Å
6V89.7Confident86.1Confident47 Ų4793.1 Ų93.129%0.28547%0.468SS..THydrogen-bonded Turntrans-101.5-40.6-179.1-175.30000112C4 I21 C28 K31 H32C4-V6 PolarHBondContact O-N 3.05Å; C4-V6 VanDerWaalsContact O-N 3.13Å; C4-V6 PolarHBondContact SG-N 3.38Å; V6-I21 HydrophobicContact CG2-CD1 4.03Å; V6-C28 HydrophobicContact CB-CB 3.74Å; V6-C28 HydrophobicContact CG1-CB 3.88Å; V6-C28 HydrophobicContact CG2-CB 4.04Å; V6-K31 HydrophobicContact CG1-CB 3.92Å; V6-K31 HydrophobicContact CG1-CD 4.37Å; V6-H32 HydrophobicContact CG2-CB 3.95Å
7C88.9Confident85.8Confident30 Ų3094.1 Ų94.120%0.20348%0.482CS..THydrogen-bonded Turntrans-118.6-14-176.976.40000114.3C4 E9C4-C7 PolarHBondContact SG-N 3.38Å; C4-C7 VanDerWaalsContact SG-N 3.42Å; C7-E9 WeakPolarHBondContact CB-OE2 3.46Å; C7-E9 WeakPolarHBondContact O-CG 3.48Å; C7-E9 PolarHBondContact O-N 2.99Å
8S89.9Confident85.5Confident78 Ų7892.7 Ų92.755%0.54548%0.483SS..SBendtrans57.77179.2-59.30000116.6I3 C4I3-S8 WeakPolarHBondContact CD1-O 3.16Å; C4-S8 WeakPolarHBondContact O-CA 3.32Å; C4-S8 PolarHBondContact O-N 2.73Å
9E87.5Confident85.4Confident153 Ų15388.5 Ų88.572%0.71546%0.462SS*.SBendtrans-98.1-34.5-174.6-70.2163114.900113.8C7C7-E9 WeakPolarHBondContact CB-OE2 3.46Å; C7-E9 WeakPolarHBondContact O-CG 3.48Å; C7-E9 PolarHBondContact O-N 2.99Å
10Q86Confident85.3Confident114 Ų11490.2 Ų90.253%0.53347%0.465SS..SBendtrans-124.9150.8-168.6-67.6-68.6-2400110.9C4 C24C4-Q10 VanDerWaalsContact CB-O 3.29Å; C4-Q10 WeakPolarHBondContact CB-O 3.34Å; C4-Q10 PolarHBondContact N-O 3.37Å; Q10-C24 HydrophobicContact CB-CB 3.79Å
11P86.7Confident85.3Confident79 Ų7988.3 Ų88.351%0.51346%0.456SS..  trans-60.1136.4171.626.1-32.9000109.6C24P11-C24 WeakPolarHBondContact O-CB 3.43Å
12P90Very high86.5Confident30 Ų3082 Ų8220%0.19542%0.419CS..  trans-71.4140.5-179.229.2-31000110.4Q2 R22 Y23Q2-P12 HydrophobicContact CB-CG 4.35Å; Q2-P12 WeakPolarHBondContact O-CD 3.47Å; P12-R22 HydrophobicContact CB-CB 3.62Å; P12-R22 HydrophobicContact CG-CB 3.86Å; P12-Y23 CarbonylContact C-O 3.55Å; P12-Y23 WeakPolarHBondContact CA-O 3.36Å
13K89.7Confident87.2Confident162 Ų16276.9 Ų76.970%0.70439%0.394SS*.  trans-108.1-20.8178.1-68.9-177.6176.7-175.70112.4Y23K13-Y23 PolarHBondContact N-O 3.28Å
14Y87.2Confident87.4Confident127 Ų12773.3 Ų73.350%0.49838%0.377SS..EExtended strand (participates in β ladder)trans-137.1163.3-169.9-54.6-76.9000110.9R22 Y23Y14-R22 CarbonylContact O-C 3.58Å; Y14-R22 WeakPolarHBondContact O-CA 3.44Å; Y14-Y23 HydrophobicContact CD2-CD2 4.32Å; Y14-Y23 AromaticContact CD2-CE2 3.9Å; Y14-Y23 HydrophobicContact CD2-CE2 3.9Å; Y14-Y23 AromaticContact CG-CE2 3.93Å; Y14-Y23 HydrophobicContact CG-CE2 3.93Å; Y14-Y23 PolarHBondContact N-O 3.2Å; Y14-Y23 PolarHBondContact O-N 2.9Å
15R87.6Confident87.3Confident131 Ų13175.6 Ų75.649%0.49439%0.393SS..EExtended strand (participates in β ladder)trans-134.3135.7-179.4-172.5-177.4-177.3-150.411110.6K20 I21 R22R15-K20 WeakPolarHBondContact CG-O 3.45Å; R15-K20 PolarHBondContact NE-O 3.25Å; R15-K20 VanDerWaalsContact NE-O 3.11Å; R15-I21 WeakPolarHBondContact CA-O 3.36Å; R15-R22 HydrophobicContact CB-CG 4.49Å; R15-R22 HydrophobicContact CG-CG 4.32Å
16C85.3Confident87.3Confident3 Ų377.8 Ų77.82%0.0240%0.398CS..  trans-75.7131.2176.6179.60000110.7C19 K20 I21 Y23 H32 C36C16-C19 VanDerWaalsContact SG-SG 3.6Å; C16-K20 WeakPolarHBondContact O-CA 3.26Å; C16-K20 PolarHBondContact O-N 2.92Å; C16-I21 HydrophobicContact CB-CG1 4.32Å; C16-I21 PolarHBondContact N-O 3.33Å; C16-Y23 HydrophobicContact CB-CE1 4.4Å; C16-H32 PolarHBondContact SG-NE2 3.38Å; C16-H32 VanDerWaalsContact SG-NE2 3.39Å; C16-C36 VanDerWaalsContact SG-SG 3.61Å
17P81.4Confident87.2Confident110 Ų11077.6 Ų77.671%0.71441%0.405SS*.THydrogen-bonded Turntrans-69.3-31.4178.726.1-33.5000113.5
18S80.5Confident87.3Confident70 Ų7076.5 Ų76.549%0.4940%0.398SS..THydrogen-bonded Turntrans-78.7-41-173.1-47.60000113.8
19C83.3Confident87.1Confident13 Ų1376.6 Ų76.69%0.08839%0.387CS..THydrogen-bonded Turntrans-120.1-2-175.170.20000113.5C16 I21 H32 L37C16-C19 VanDerWaalsContact SG-SG 3.6Å; C19-I21 PolarHBondContact O-N 3.11Å; C19-I21 VanDerWaalsContact O-N 3.1Å; C19-H32 PolarHBondContact SG-CE1 3.33Å; C19-H32 PolarHBondContact SG-NE2 3.11Å; C19-L37 WeakPolarHBondContact CB-O 3.47Å
20K83.9Confident87.1Confident122 Ų12277 Ų7753%0.5339%0.386SS..  trans64.97.1175.9-65.7172.6-179.1175.90116.4R15 C16R15-K20 WeakPolarHBondContact CG-O 3.45Å; R15-K20 PolarHBondContact NE-O 3.25Å; R15-K20 VanDerWaalsContact NE-O 3.11Å; C16-K20 WeakPolarHBondContact O-CA 3.26Å; C16-K20 PolarHBondContact O-N 2.92Å
21I86.4Confident87.2Confident50 Ų5078.7 Ų78.726%0.25639%0.392SS..  trans-69.3153.517678.4168.2000111.8V6 R15 C16 C19 H32V6-I21 HydrophobicContact CG2-CD1 4.03Å; R15-I21 WeakPolarHBondContact CA-O 3.36Å; C16-I21 HydrophobicContact CB-CG1 4.32Å; C16-I21 PolarHBondContact N-O 3.33Å; C19-I21 PolarHBondContact O-N 3.11Å; C19-I21 VanDerWaalsContact O-N 3.1Å; I21-H32 HydrophobicContact CD1-CB 4.27Å; I21-H32 WeakPolarHBondContact CD1-CE1 3.36Å; I21-H32 VanDerWaalsContact CD1-CG 3.5Å; I21-H32 WeakPolarHBondContact CD1-ND1 3.31Å
22R89.2Confident87.2Confident105 Ų10575.5 Ų75.540%0.39637%0.37SS..EExtended strand (participates in β ladder)trans-103.8136.3-179.1-70-160.9173.895.56.7111.5S5 P12 Y14 R15S5-R22 WeakPolarHBondContact CB-O 3.5Å; S5-R22 PolarHBondContact N-O 3.39Å; S5-R22 PolarHBondContact OG-O 3.04Å; P12-R22 HydrophobicContact CB-CB 3.62Å; P12-R22 HydrophobicContact CG-CB 3.86Å; Y14-R22 CarbonylContact O-C 3.58Å; Y14-R22 WeakPolarHBondContact O-CA 3.44Å; R15-R22 HydrophobicContact CB-CG 4.49Å; R15-R22 HydrophobicContact CG-CG 4.32Å
23Y90.9Very high86.8Confident21 Ų2180.7 Ų80.78%0.08239%0.39CS..EExtended strand (participates in β ladder)trans-140.1157.9-17765.4-92.5000112.8C4 P12 K13 Y14 C16 S25 C28 Y29C4-Y23 VanDerWaalsContact SG-CA 3.55Å; P12-Y23 CarbonylContact C-O 3.55Å; P12-Y23 WeakPolarHBondContact CA-O 3.36Å; K13-Y23 PolarHBondContact N-O 3.28Å; Y14-Y23 HydrophobicContact CD2-CD2 4.32Å; Y14-Y23 AromaticContact CD2-CE2 3.9Å; Y14-Y23 HydrophobicContact CD2-CE2 3.9Å; Y14-Y23 AromaticContact CG-CE2 3.93Å; Y14-Y23 HydrophobicContact CG-CE2 3.93Å; Y14-Y23 PolarHBondContact N-O 3.2Å; Y14-Y23 PolarHBondContact O-N 2.9Å; C16-Y23 HydrophobicContact CB-CE1 4.4Å; Y23-S25 WeakPolarHBondContact CD2-O 3.37Å; Y23-S25 WeakPolarHBondContact CE2-O 3.21Å; Y23-C28 HydrophobicContact CD2-CB 4.23Å; Y23-C28 HydrophobicContact CG-CB 4.39Å; Y23-Y29 HydrophobicContact CE1-CD2 4.03Å; Y23-Y29 HydrophobicContact CE2-CG 4.48Å; Y23-Y29 AromaticContact CZ-CD2 3.81Å
24C92.4Very high86.3Confident16 Ų1680.7 Ų80.711%0.10840%0.397CS..SBendtrans-89.9-25.5-172.263.20000114.9C4 Q10 P11 C28C4-C24 HydrophobicContact CB-CB 3.93Å; C4-C24 PolarHBondContact SG-N 2.9Å; C4-C24 VanDerWaalsContact SG-SG 3.64Å; Q10-C24 HydrophobicContact CB-CB 3.79Å; P11-C24 WeakPolarHBondContact O-CB 3.43Å; C24-C28 PolarHBondContact SG-SG 3.46Å
25S90.5Very high85.8Confident49 Ų4978.4 Ų78.434%0.34340%0.4SS..SBendtrans-157.2166.8-172.468.90000113.8Y23 G27 C28 Y29Y23-S25 WeakPolarHBondContact CD2-O 3.37Å; Y23-S25 WeakPolarHBondContact CE2-O 3.21Å; S25-G27 PolarHBondContact O-N 3.44Å; S25-G27 PolarHBondContact OG-N 3.44Å; S25-C28 WeakPolarHBondContact O-CA 3.43Å; S25-C28 WeakPolarHBondContact O-CB 3.35Å; S25-C28 PolarHBondContact O-N 2.92Å; S25-Y29 PolarHBondContact O-N 2.98Å
26L87.4Confident85.6Confident124 Ų12473.7 Ų73.765%0.64939%0.387SS*.Hα-helixtrans-57-29.8173.5-63.2178.2000113.1C28 Y29 K30L26-C28 VanDerWaalsContact C-N 3.34Å; L26-Y29 WeakPolarHBondContact O-CB 3.43Å; L26-Y29 PolarHBondContact O-N 3.32Å; L26-K30 PolarHBondContact O-N 3.46Å
27G86.9Confident85Confident42 Ų4280.1 Ų80.143%0.43342%0.42SS..Hα-helixtrans-63.4-40.6173.400000112.1S25 K31S25-G27 PolarHBondContact O-N 3.44Å; S25-G27 PolarHBondContact OG-N 3.44Å; G27-K31 WeakPolarHBondContact O-CG 3.42Å; G27-K31 PolarHBondContact O-N 3.13Å
28C89.8Confident84.1Confident7 Ų779.2 Ų79.25%0.04741%0.414CS..Hα-helixtrans-70.1-34.7173.4-70.50000112.2C4 V6 Y23 C24 S25 L26 K31 H32C4-C28 VanDerWaalsContact SG-SG 3.6Å; V6-C28 HydrophobicContact CB-CB 3.74Å; V6-C28 HydrophobicContact CG1-CB 3.88Å; V6-C28 HydrophobicContact CG2-CB 4.04Å; Y23-C28 HydrophobicContact CD2-CB 4.23Å; Y23-C28 HydrophobicContact CG-CB 4.39Å; C24-C28 PolarHBondContact SG-SG 3.46Å; S25-C28 WeakPolarHBondContact O-CA 3.43Å; S25-C28 WeakPolarHBondContact O-CB 3.35Å; S25-C28 PolarHBondContact O-N 2.92Å; L26-C28 VanDerWaalsContact C-N 3.34Å; C28-K31 PolarHBondContact O-N 2.99Å; C28-H32 WeakPolarHBondContact O-CB 3.49Å; C28-H32 PolarHBondContact O-N 3.35Å
29Y86.9Confident82.9Confident80 Ų8080.1 Ų80.131%0.31442%0.417SS..Hα-helixtrans-59.9-46.7173.2178.5-107.7000112.1Y23 S25 L26 K31 H32 K33Y23-Y29 HydrophobicContact CE1-CD2 4.03Å; Y23-Y29 HydrophobicContact CE2-CG 4.48Å; Y23-Y29 AromaticContact CZ-CD2 3.81Å; S25-Y29 PolarHBondContact O-N 2.98Å; L26-Y29 WeakPolarHBondContact O-CB 3.43Å; L26-Y29 PolarHBondContact O-N 3.32Å; Y29-K31 PolarHBondContact O-N 3.29Å; Y29-H32 PolarHBondContact O-N 3.29Å; Y29-K33 HydrophobicContact CE1-CD 4.34Å; Y29-K33 WeakPolarHBondContact O-CB 3.22Å; Y29-K33 PolarHBondContact O-N 3.41Å
30K88.3Confident81.3Confident162 Ų16288 Ų8870%0.70445%0.452SS*.Hα-helixtrans-63.7-42.3179.7-71.3-179.4-179.9-175.10112.7L26 H32 K33L26-K30 PolarHBondContact O-N 3.46Å; K30-H32 VanDerWaalsContact C-N 3.3Å; K30-H32 PolarHBondContact O-N 3.08Å; K30-K33 PolarHBondContact O-N 2.93Å
31K86.7Confident79.4Confident150 Ų15091.2 Ų91.265%0.65247%0.466SS*.Hα-helixtrans-62-40.1174.5-71.5-178.2179.5-174.90111.9V6 G27 C28 Y29 S35V6-K31 HydrophobicContact CG1-CB 3.92Å; V6-K31 HydrophobicContact CG1-CD 4.37Å; G27-K31 WeakPolarHBondContact O-CG 3.42Å; G27-K31 PolarHBondContact O-N 3.13Å; C28-K31 PolarHBondContact O-N 2.99Å; Y29-K31 PolarHBondContact O-N 3.29Å; K31-S35 PolarHBondContact O-OG 3.1Å
32H86.3Confident77.2Confident12 Ų1294.6 Ų94.66%0.05649%0.492CS..Hα-helixtrans-72.9-36.5178.5169.254.5000113.3V6 C16 C19 I21 C28 Y29 K30 D34 S35 C36V6-H32 HydrophobicContact CG2-CB 3.95Å; C16-H32 PolarHBondContact SG-NE2 3.38Å; C16-H32 VanDerWaalsContact SG-NE2 3.39Å; C19-H32 PolarHBondContact SG-CE1 3.33Å; C19-H32 PolarHBondContact SG-NE2 3.11Å; I21-H32 HydrophobicContact CD1-CB 4.27Å; I21-H32 WeakPolarHBondContact CD1-CE1 3.36Å; I21-H32 VanDerWaalsContact CD1-CG 3.5Å; I21-H32 WeakPolarHBondContact CD1-ND1 3.31Å; C28-H32 WeakPolarHBondContact O-CB 3.49Å; C28-H32 PolarHBondContact O-N 3.35Å; Y29-H32 PolarHBondContact O-N 3.29Å; K30-H32 VanDerWaalsContact C-N 3.3Å; K30-H32 PolarHBondContact O-N 3.08Å; H32-D34 PolarHBondContact O-N 3.18Å; H32-D34 VanDerWaalsContact O-N 3.1Å; H32-S35 CarbonylContact O-C 3.32Å; H32-S35 VanDerWaalsContact O-C 3.32Å; H32-S35 WeakPolarHBondContact O-CA 3.43Å; H32-S35 PolarHBondContact O-N 3.15Å; H32-S35 PolarHBondContact O-OG 2.99Å; H32-C36 PolarHBondContact NE2-SG 3.5Å; H32-C36 WeakPolarHBondContact O-CB 3.4Å; H32-C36 PolarHBondContact O-N 2.85Å
33K83.1Confident74.9Confident139 Ų13993.7 Ų93.760%0.60451%0.506SS*.Hα-helixtrans-53.6-36.3-173.5-173.9179.1179-172.60112.9Y29 K30 C36Y29-K33 HydrophobicContact CE1-CD 4.34Å; Y29-K33 WeakPolarHBondContact O-CB 3.22Å; Y29-K33 PolarHBondContact O-N 3.41Å; K30-K33 PolarHBondContact O-N 2.93Å; K33-C36 WeakPolarHBondContact O-CB 3.4Å
34D79.2Confident72.5Confident161 Ų16199.1 Ų99.186%0.86154%0.542SS*.THydrogen-bonded Turntrans-71.7-29.6178.9-163.4-104.8000113.2H32H32-D34 PolarHBondContact O-N 3.18Å; H32-D34 VanDerWaalsContact O-N 3.1Å
35S76.1Confident69.8Low80 Ų80103.6 Ų103.656%0.55957%0.574SS**THydrogen-bonded Turntrans-106.315.9179.745.10000112.7K31 H32 L37K31-S35 PolarHBondContact O-OG 3.1Å; H32-S35 CarbonylContact O-C 3.32Å; H32-S35 VanDerWaalsContact O-C 3.32Å; H32-S35 WeakPolarHBondContact O-CA 3.43Å; H32-S35 PolarHBondContact O-N 3.15Å; H32-S35 PolarHBondContact O-OG 2.99Å; S35-L37 PolarHBondContact O-N 3.43Å; S35-L37 VanDerWaalsContact O-N 3.1Å
36C82.6Confident67.3Low32 Ų32106.9 Ų106.922%0.21659%0.587CS.*  trans-80.594.3-175.2-170.40000110.3C16 H32 K33C16-C36 VanDerWaalsContact SG-SG 3.61Å; H32-C36 PolarHBondContact NE2-SG 3.5Å; H32-C36 WeakPolarHBondContact O-CB 3.4Å; H32-C36 PolarHBondContact O-N 2.85Å; K33-C36 WeakPolarHBondContact O-CB 3.4Å
37L72.4Confident65.3Low138 Ų138106.7 Ų106.772%0.72359%0.593SS**  trans-89.9127.4171.3-62.6177.7000109.8C19 S35 V39C19-L37 WeakPolarHBondContact CB-O 3.47Å; S35-L37 PolarHBondContact O-N 3.43Å; S35-L37 VanDerWaalsContact O-N 3.1Å; L37-V39 PolarHBondContact O-N 3.27Å
38P62.8Low63.1Low91 Ų91112.2 Ų112.259%0.59161%0.608SS**  trans-60.6134.8171.924.6-30.3000109E40P38-E40 PolarHBondContact O-N 3.39Å
39V56.3Low60.6Low89 Ų89118 Ų11854%0.53965%0.648SS.*  trans-70.397.5175.8168.30000108L37 K41L37-V39 PolarHBondContact O-N 3.27Å; V39-K41 PolarHBondContact O-N 3.33Å
40E49.8Very low58.3Low178 Ų178123.4 Ų123.483%0.83267%0.673SS**PPolyproline II helixtrans-67.7119.8155-67.1-152.9108.200107.2P38 P42P38-E40 PolarHBondContact O-N 3.39Å; E40-P42 WeakPolarHBondContact O-CD 3.41Å
41K44.6Very low55.6Low189 Ų189122.7 Ų122.782%0.82268%0.677SS**PPolyproline II helixtrans-62.2118.4-179.3-61.7169-176.6170.50108.5V39 A43V39-K41 PolarHBondContact O-N 3.33Å; K41-A43 PolarHBondContact O-N 3.08Å
42P39.3Very low53.1Low122 Ų122119.7 Ų119.779%0.79268%0.68SS**PPolyproline II helixtrans-73.9121.316028-25.7000107.9E40E40-P42 WeakPolarHBondContact O-CD 3.41Å
43A41.4Very low50.5Low85 Ų85124.4 Ų124.470%0.70272%0.721SS**PPolyproline II helixtrans-65.4148165.200000110.2K41K41-A43 PolarHBondContact O-N 3.08Å
44T39.3Very low48Very low136 Ų136121.3 Ų121.383%0.83473%0.729SS**  trans85.8110.5155.7-16.20000117.8
45S36.4Very low46Very low110 Ų110119.6 Ų119.677%0.76973%0.73SS**  159.6125.5100.8-171.40000110.6
46N38.7Very low44.5Very low117 Ų117120.2 Ų120.263%0.62674%0.74SS**  trans-58157.1161.3-144.719.3000109.5
47P44.2Very low42.8Very low120 Ų120126.3 Ų126.378%0.77977%0.765SS**  -140.1160.781.132.3-13.5000115.4
48E41.5Very low41.2Very low159 Ų159125.3 Ų125.374%0.74377%0.767SS**  trans-54.7149178.5-62.8158.375.300115
49S37.9Very low40.2Very low128 Ų128128.5 Ų128.590%0.89578%0.778SS**  trans-162.1129.3131.5-770000110.9
50K37.8Very low39.7Very low193 Ų193128.1 Ų128.184%0.83978%0.779SS**  trans-53.8145.5179.3-64.4160.4165.1174.40113.5
51D32.2Very low39.2Very low148 Ų148126.6 Ų126.679%0.79178%0.776SS**  178.9149.388.5-122.4-78.9000113.7
52A32.3Very low39.2Very low86 Ų86123.4 Ų123.471%0.71177%0.768SS**  trans65.2100155.500000123.2
53A33.1Very low39.7Very low111 Ų111124.9 Ų124.992%0.91777%0.769SS**  62.3119.3122.300000121.3
54G30.7Very low40.1Very low75 Ų75128 Ų12877%0.77377%0.773SS**  trans157.282.3151.700000116
55S36.3Very low40.4Very low124 Ų124127.4 Ų127.487%0.86776%0.764SS**  trans61.6120.8156.2-61.90000119.9E57S55-E57 PolarHBondContact O-N 3.34Å
56A45.5Very low40.9Very low93 Ų93128.4 Ų128.477%0.76976%0.757SS**  trans-56.3119160.500000110.5
57E45.8Very low41.4Very low161 Ų161131.2 Ų131.275%0.75277%0.766SS**  trans-140.8118.2141.4-70.6-73.469.700104.1S55 L59S55-E57 PolarHBondContact O-N 3.34Å; E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3Å
58P39.6Very low41.5Very low116 Ų116130.6 Ų130.675%0.75376%0.756SS**  trans-64103.7164.821.1-17.3000105.6S60P58-S60 PolarHBondContact O-N 2.66Å
59L42.4Very low41.8Very low159 Ų159128.5 Ų128.583%0.83275%0.75SS**  trans-58.991.3162.9-69.4173000106E57 L61E57-L59 VanDerWaalsContact C-N 3.31Å; E57-L59 PolarHBondContact O-N 3Å; L59-L61 PolarHBondContact O-N 3.48Å
60S44Very low42.5Very low80 Ų80126.9 Ų126.956%0.55973%0.734SS**  trans-58.2125-178.8-141.90000107.3P58 D62P58-S60 PolarHBondContact O-N 2.66Å; S60-D62 WeakPolarHBondContact CB-OD2 3.46Å; S60-D62 PolarHBondContact O-N 3.29Å; S60-D62 PolarHBondContact OG-OD2 2.97Å
61L41.2Very low43.5Very low146 Ų146123.5 Ų123.576%0.76472%0.724SS**G310 helixtrans-63.19.2173.1-104.975.7000112.9L59 D63L59-L61 PolarHBondContact O-N 3.48Å; L61-D63 VanDerWaalsContact C-N 3.3Å; L61-D63 PolarHBondContact O-N 3.29Å
62D42.7Very low45.5Very low122 Ų122123.5 Ų123.565%0.65272%0.724SS**G310 helixtrans-70.8-14.6-175.2-78.1-94.3000114.6S60S60-D62 WeakPolarHBondContact CB-OD2 3.46Å; S60-D62 PolarHBondContact O-N 3.29Å; S60-D62 PolarHBondContact OG-OD2 2.97Å
63D50Low47.8Very low153 Ų153127 Ų12782%0.81872%0.723SS**G310 helixtrans-94.76.2-176.8-154.169.2000114.1L61L61-D63 VanDerWaalsContact C-N 3.3Å; L61-D63 PolarHBondContact O-N 3.29Å
64L50.3Low50.1Low150 Ų150124.6 Ų124.679%0.78570%0.697SS**G310 helixtrans-118.47.2-179.7-70174.6000114.1
65L45.5Very low52.6Low124 Ų124123.7 Ų123.765%0.64968%0.678SS**SBendtrans-107.4107.5172.3-46.6-175000107.3
66H46.8Very low54.8Low132 Ų132122.2 Ų122.261%0.61167%0.665SS**  trans23.9106.2165.8-72.274.9000116.8D68 D69H66-D68 PolarHBondContact O-N 3.23Å; H66-D69 HydrophobicContact CB-CB 4.38Å; H66-D69 WeakPolarHBondContact CB-OD2 3.47Å; H66-D69 IonicContact CG-OD2 3.97Å; H66-D69 PolarHBondContact O-N 2.88Å
67E48.8Very low56.6Low176 Ų176124.2 Ų124.282%0.82266%0.659SS**THydrogen-bonded Turntrans-47.3-22.916143.5-171.370.500113.5I71E67-I71 WeakPolarHBondContact O-CG1 3.29Å
68D46.8Very low58.4Low106 Ų106118.8 Ų118.857%0.56763%0.631SS**THydrogen-bonded Turntrans-73-31.9171.7-90.6-100.7000115.3H66 V70 I71H66-D68 PolarHBondContact O-N 3.23Å; D68-V70 PolarHBondContact O-N 3Å; D68-I71 PolarHBondContact O-N 3.35Å
69D48.1Very low60.6Low115 Ų115117.8 Ų117.862%0.61562%0.619SS**THydrogen-bonded Turntrans-74.8-14.5179.9-85-82.9000112.7H66H66-D69 HydrophobicContact CB-CB 4.38Å; H66-D69 WeakPolarHBondContact CB-OD2 3.47Å; H66-D69 IonicContact CG-OD2 3.97Å; H66-D69 PolarHBondContact O-N 2.88Å
70V52.6Low62.6Low94 Ų94116.9 Ų116.957%0.5761%0.611SS**THydrogen-bonded Turntrans-86.6-20.6178.3-171.80000111.6D68 K73D68-V70 PolarHBondContact O-N 3Å; V70-K73 PolarHBondContact O-N 2.88Å
71I59.4Low64.6Low122 Ų122114.7 Ų114.763%0.62659%0.592SS**THydrogen-bonded Turntrans-68.1-38.9-176.5-58173.4000111.1E67 D68 K73E67-I71 WeakPolarHBondContact O-CG1 3.29Å; D68-I71 PolarHBondContact O-N 3.35Å; I71-K73 PolarHBondContact O-N 2.99Å
72D72.8Confident66.8Low149 Ų149109.3 Ų109.380%0.79756%0.564SS**THydrogen-bonded Turntrans-76.4-7.5179.9-70.3-57.4000113.5
73K80.7Confident68.8Low158 Ų158105.5 Ų105.569%0.68755%0.554SS**SBendtrans-87.5120.7177.3-94.3177.8175-70.70111V70 I71 P75V70-K73 PolarHBondContact O-N 2.88Å; I71-K73 PolarHBondContact O-N 2.99Å; K73-P75 WeakPolarHBondContact O-CD 3.23Å
74V81.9Confident70.4Confident61 Ų61104.8 Ų104.837%0.3755%0.545SS..PPolyproline II helixtrans-65.3124.3171.2-173.60000109.9R78 L79 V134V74-R78 HydrophobicContact CG1-CB 3.84Å; V74-L79 HydrophobicContact CB-CD1 4.37Å; V74-L79 HydrophobicContact CB-CG 4.27Å; V74-L79 HydrophobicContact CG1-CD1 4.41Å; V74-L79 HydrophobicContact CG1-CG 3.92Å; V74-L79 VanDerWaalsContact O-CD1 3.32Å; V74-L79 WeakPolarHBondContact O-CD1 3.17Å; V74-V134 HydrophobicContact CB-CG1 4.33Å; V74-V134 HydrophobicContact CG1-CB 4.49Å; V74-V134 HydrophobicContact CG1-CG1 3.58Å; V74-V134 HydrophobicContact CG1-CG2 3.98Å; V74-V134 HydrophobicContact CG2-CG1 3.81Å
75P84.4Confident72.2Confident56 Ų5698.7 Ų98.736%0.36452%0.516SS..PPolyproline II helixtrans-68.3149.717925.6-32.8000111.6K73 Q77 R78 L79K73-P75 WeakPolarHBondContact O-CD 3.23Å; P75-Q77 PolarHBondContact O-N 3.15Å; P75-R78 HydrophobicContact CG-CB 4.15Å; P75-R78 HydrophobicContact CG-CG 3.78Å; P75-R78 PolarHBondContact O-N 2.84Å; P75-L79 PolarHBondContact O-N 2.98Å
76P81.4Confident74.2Confident93 Ų9398.1 Ų98.160%0.60452%0.518SS*.Hα-helixtrans-61-30.7-172.623.2-32.9000113.6R78 L79 Q80P76-R78 VanDerWaalsContact C-N 3.28Å; P76-R78 PolarHBondContact O-N 3.18Å; P76-L79 WeakPolarHBondContact O-CB 3.33Å; P76-L79 PolarHBondContact O-N 3.26Å; P76-Q80 PolarHBondContact O-N 3.37Å; P76-Q80 VanDerWaalsContact O-N 3.16Å
77Q83.3Confident76.1Confident135 Ų13596.3 Ų96.363%0.63151%0.509SS*.Hα-helixtrans-61.4-40.6175-61.581.5-3.800110.8P75 Q80P75-Q77 PolarHBondContact O-N 3.15Å; Q77-Q80 PolarHBondContact O-N 3.46Å
78R83.3Confident78Confident47 Ų4788 Ų8818%0.17747%0.47CS..Hα-helixtrans-75.5-35178.3-64.5-173.984.7151.828.1112.3V74 P75 P76 Q80 L81 V134 D138V74-R78 HydrophobicContact CG1-CB 3.84Å; P75-R78 HydrophobicContact CG-CB 4.15Å; P75-R78 HydrophobicContact CG-CG 3.78Å; P75-R78 PolarHBondContact O-N 2.84Å; P76-R78 VanDerWaalsContact C-N 3.28Å; P76-R78 PolarHBondContact O-N 3.18Å; R78-Q80 PolarHBondContact O-N 3.17Å; R78-L81 HydrophobicContact CB-CD1 4.2Å; R78-L81 HydrophobicContact CG-CD1 4.31Å; R78-L81 VanDerWaalsContact O-CB 3.27Å; R78-L81 WeakPolarHBondContact O-CB 3.39Å; R78-L81 PolarHBondContact O-N 3.07Å; R78-V134 PolarHBondContact NE-O 3.29Å; R78-V134 VanDerWaalsContact NE-O 3.14Å; R78-V134 PolarHBondContact NH1-O 3.48Å; R78-V134 PolarHBondContact NH2-O 3.26Å; R78-D138 IonicContact CZ-OD1 3.02Å; R78-D138 IonicContact CZ-OD2 3.56Å; R78-D138 IonicContact NH1-OD1 2.63Å; R78-D138 IonicContact NH1-OD2 3.53Å; R78-D138 PolarHBondContact NH1-OD2 3.2Å; R78-D138 IonicContact NH2-OD1 2.65Å; R78-D138 PolarHBondContact NH2-OD1 3.44Å; R78-D138 IonicContact NH2-OD2 3.24Å; R78-D138 PolarHBondContact NH2-OD2 3.48Å
79L85.4Confident80Confident96 Ų9690.7 Ų90.750%0.50347%0.473SS..Hα-helixtrans-56.6-34.7172.5-83149.4000112.5V74 P75 P76 L81 L82V74-L79 HydrophobicContact CB-CD1 4.37Å; V74-L79 HydrophobicContact CB-CG 4.27Å; V74-L79 HydrophobicContact CG1-CD1 4.41Å; V74-L79 HydrophobicContact CG1-CG 3.92Å; V74-L79 VanDerWaalsContact O-CD1 3.32Å; V74-L79 WeakPolarHBondContact O-CD1 3.17Å; P75-L79 PolarHBondContact O-N 2.98Å; P76-L79 WeakPolarHBondContact O-CB 3.33Å; P76-L79 PolarHBondContact O-N 3.26Å; L79-L81 VanDerWaalsContact C-N 3.26Å; L79-L81 PolarHBondContact O-N 2.92Å; L79-L82 VanDerWaalsContact CA-CD1 3.48Å; L79-L82 HydrophobicContact CD2-CD1 4.34Å; L79-L82 WeakPolarHBondContact O-CD1 3.45Å; L79-L82 PolarHBondContact O-N 3.24Å
80Q85.6Confident82Confident140 Ų14091 Ų9165%0.65447%0.474SS*.Hα-helixtrans-66.6-27.1178.5-167172.1-8.100113.1P76 Q77 R78 L82 G83P76-Q80 PolarHBondContact O-N 3.37Å; P76-Q80 VanDerWaalsContact O-N 3.16Å; Q77-Q80 PolarHBondContact O-N 3.46Å; R78-Q80 PolarHBondContact O-N 3.17Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 2.87Å; Q80-G83 PolarHBondContact O-N 2.74Å
81L86.6Confident83.7Confident33 Ų3387.6 Ų87.617%0.17345%0.453CS..Hα-helixtrans-66.4-33.7178.5-58.6160.4000111.7R78 L79 G83 Q84 S85 V133 E137R78-L81 HydrophobicContact CB-CD1 4.2Å; R78-L81 HydrophobicContact CG-CD1 4.31Å; R78-L81 VanDerWaalsContact O-CB 3.27Å; R78-L81 WeakPolarHBondContact O-CB 3.39Å; R78-L81 PolarHBondContact O-N 3.07Å; L79-L81 VanDerWaalsContact C-N 3.26Å; L79-L81 PolarHBondContact O-N 2.92Å; L81-G83 PolarHBondContact O-N 2.9Å; L81-Q84 WeakPolarHBondContact O-CB 3.29Å; L81-Q84 PolarHBondContact O-N 3.27Å; L81-S85 PolarHBondContact O-N 3.37Å; L81-V133 HydrophobicContact CB-CG1 3.72Å; L81-E137 VanDerWaalsContact CD1-CD 3.48Å; L81-E137 WeakPolarHBondContact CD1-OE1 3.36Å; L81-E137 WeakPolarHBondContact CD1-OE2 3.48Å; L81-E137 WeakPolarHBondContact CD2-OE1 3.44Å
82L86.5Confident85.1Confident34 Ų3484.6 Ų84.618%0.17844%0.438CS..Hα-helixtrans-57.7-33174.9-69.1104.7000111.9L79 Q80 Q84 L88 C130 V133 V134L79-L82 VanDerWaalsContact CA-CD1 3.48Å; L79-L82 HydrophobicContact CD2-CD1 4.34Å; L79-L82 WeakPolarHBondContact O-CD1 3.45Å; L79-L82 PolarHBondContact O-N 3.24Å; Q80-L82 VanDerWaalsContact C-N 3.3Å; Q80-L82 PolarHBondContact O-N 2.87Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 2.88Å; L82-L88 HydrophobicContact CB-CD1 3.91Å; L82-L88 HydrophobicContact CD2-CD1 3.83Å; L82-L88 HydrophobicContact CG-CD1 4.02Å; L82-C130 HydrophobicContact CD2-CB 3.66Å; L82-C130 WeakPolarHBondContact CD2-SG 3.27Å; L82-V133 HydrophobicContact CG-CG1 4.41Å; L82-V134 HydrophobicContact CD1-CG2 3.74Å; L82-V134 HydrophobicContact CG-CG2 4.39Å
83G84.4Confident86Confident42 Ų4281.3 Ų81.343%0.43343%0.426SS..THydrogen-bonded Turntrans-74-17.9177.400000114.7Q80 L81Q80-G83 PolarHBondContact O-N 2.74Å; L81-G83 PolarHBondContact O-N 2.9Å
84Q84.9Confident86.5Confident137 Ų13776.6 Ų76.664%0.6441%0.408SS*.THydrogen-bonded Turntrans-88.4-23.3177.1-57.3-178.42600112.1L81 L82 T86L81-Q84 WeakPolarHBondContact O-CB 3.29Å; L81-Q84 PolarHBondContact O-N 3.27Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 2.88Å; Q84-T86 PolarHBondContact O-N 3.18Å
85S87.9Confident87Confident23 Ų2377.9 Ų77.916%0.16142%0.417CS..  trans-69.4115.5177177.90000111.5L81 E87 L88 R89L81-S85 PolarHBondContact O-N 3.37Å; S85-E87 VanDerWaalsContact C-N 3.34Å; S85-L88 PolarHBondContact OG-N 3.18Å; S85-R89 WeakPolarHBondContact O-CG 3.47Å; S85-R89 PolarHBondContact O-N 3.36Å
86T86.8Confident87.3Confident112 Ų11279.4 Ų79.469%0.68742%0.42SS*.Hα-helixtrans-68.9-33177.650.50000112.4Q84 R89 D90Q84-T86 PolarHBondContact O-N 3.18Å; T86-R89 PolarHBondContact O-N 3.06Å; T86-D90 PolarHBondContact O-N 2.97Å
87E87.1Confident87.7Confident93 Ų9375.1 Ų75.144%0.43539%0.391SS..Hα-helixtrans-63.4-43.8177-62.9-176.4110.800111.5S85 R89 D90 L91 R129S85-E87 VanDerWaalsContact C-N 3.34Å; E87-R89 VanDerWaalsContact C-N 3.32Å; E87-R89 PolarHBondContact O-N 3.46Å; E87-D90 PolarHBondContact O-N 3.5Å; E87-L91 PolarHBondContact O-N 3.32Å; E87-L91 VanDerWaalsContact O-N 3.08Å; E87-R129 IonicContact OE1-CZ 3.18Å; E87-R129 IonicContact OE1-NH1 2.9Å; E87-R129 PolarHBondContact OE1-NH1 3.24Å; E87-R129 IonicContact OE1-NH2 2.88Å; E87-R129 PolarHBondContact OE1-NH2 3.13Å; E87-R129 IonicContact OE2-CZ 3.59Å; E87-R129 IonicContact OE2-NH1 2.74Å; E87-R129 PolarHBondContact OE2-NH1 3.5Å
88L88.3Confident88.2Confident2 Ų274 Ų741%0.0138%0.382CS..Hα-helixtrans-65.2-37176-79.7174.8000112.1L82 S85 D90 L91 L92 F126 R129 V133L82-L88 HydrophobicContact CB-CD1 3.91Å; L82-L88 HydrophobicContact CD2-CD1 3.83Å; L82-L88 HydrophobicContact CG-CD1 4.02Å; S85-L88 PolarHBondContact OG-N 3.18Å; L88-D90 VanDerWaalsContact C-N 3.34Å; L88-L91 PolarHBondContact O-N 3.33Å; L88-L92 WeakPolarHBondContact O-CB 3.4Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 2.85Å; L88-F126 HydrophobicContact CD2-CD2 3.94Å; L88-F126 HydrophobicContact CD2-CE2 4.04Å; L88-R129 HydrophobicContact CD2-CB 3.48Å; L88-R129 VanDerWaalsContact CD2-CB 3.48Å; L88-R129 HydrophobicContact CG-CB 4.14Å; L88-V133 HydrophobicContact CD1-CG2 4.06Å
89R88.6Confident88.6Confident162 Ų16278.5 Ų78.561%0.61140%0.404SS*.Hα-helixtrans-67.4-36.7177-68.9-178.875.7147.50.7112.2S85 T86 E87 L92 C93S85-R89 WeakPolarHBondContact O-CG 3.47Å; S85-R89 PolarHBondContact O-N 3.36Å; T86-R89 PolarHBondContact O-N 3.06Å; E87-R89 VanDerWaalsContact C-N 3.32Å; E87-R89 PolarHBondContact O-N 3.46Å; R89-L92 CarbonylContact O-C 3.56Å; R89-L92 PolarHBondContact O-N 3.01Å; R89-C93 PolarHBondContact O-N 3.28Å; R89-C93 VanDerWaalsContact O-N 3.11Å; R89-C93 PolarHBondContact O-SG 3.48Å; R89-C93 VanDerWaalsContact O-SG 3.39Å
90D89.8Confident88.9Confident121 Ų12175.1 Ų75.165%0.64739%0.387SS*.Hα-helixtrans-65.9-44.7175.2-168.3-105.7000111.5T86 E87 L88 L92 C93T86-D90 PolarHBondContact O-N 2.97Å; E87-D90 PolarHBondContact O-N 3.5Å; L88-D90 VanDerWaalsContact C-N 3.34Å; D90-L92 VanDerWaalsContact C-N 3.28Å; D90-L92 PolarHBondContact O-N 3.25Å; D90-C93 WeakPolarHBondContact O-CB 3.32Å; D90-C93 PolarHBondContact O-N 3.33Å
91L88.5Confident89.3Confident23 Ų2370.9 Ų70.912%0.1237%0.369CS..Hα-helixtrans-56.6-43.3171.7-80.1156.5000111.8E87 L88 C93 N94 L97 E125 R129E87-L91 PolarHBondContact O-N 3.32Å; E87-L91 VanDerWaalsContact O-N 3.08Å; L88-L91 PolarHBondContact O-N 3.33Å; L91-C93 PolarHBondContact O-N 3.29Å; L91-N94 VanDerWaalsContact O-CB 3.31Å; L91-N94 WeakPolarHBondContact O-CB 3.37Å; L91-N94 PolarHBondContact O-N 3.1Å; L91-N94 VanDerWaalsContact O-N 3.11Å; L91-L97 HydrophobicContact CB-CD2 4.16Å; L91-L97 WeakPolarHBondContact O-CD2 3.37Å; L91-E125 HydrophobicContact CD1-CG 4.47Å; L91-E125 HydrophobicContact CD2-CG 4.14Å; L91-R129 HydrophobicContact CD1-CB 4.31Å; L91-R129 HydrophobicContact CD1-CG 3.89Å
92L89.8Confident89.6Confident59 Ų5978.3 Ų78.331%0.30939%0.394SS..THydrogen-bonded Turntrans-69.7-9.3175.6-70.6168.7000113.8L88 R89 D90 N94 L97 R98 L101 F126L88-L92 WeakPolarHBondContact O-CB 3.4Å; L88-L92 VanDerWaalsContact O-CG 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.35Å; L88-L92 PolarHBondContact O-N 2.85Å; R89-L92 CarbonylContact O-C 3.56Å; R89-L92 PolarHBondContact O-N 3.01Å; D90-L92 VanDerWaalsContact C-N 3.28Å; D90-L92 PolarHBondContact O-N 3.25Å; L92-N94 PolarHBondContact O-N 2.87Å; L92-L97 HydrophobicContact CD2-CD2 4.41Å; L92-R98 VanDerWaalsContact O-CZ 3.25Å; L92-R98 PolarHBondContact O-NE 3.16Å; L92-R98 PolarHBondContact O-NH2 3.25Å; L92-L101 HydrophobicContact CD2-CD1 3.73Å; L92-F126 HydrophobicContact CD1-CE2 4.43Å; L92-F126 HydrophobicContact CD2-CD2 4.5Å; L92-F126 HydrophobicContact CD2-CE2 3.93Å; L92-F126 HydrophobicContact CG-CE2 4.14Å
93C91.1Very high89.9Confident81 Ų8179.6 Ų79.655%0.54741%0.406SS..THydrogen-bonded Turntrans-65.4-22168.5-70.70000111.6R89 D90 L91 P95 R98R89-C93 PolarHBondContact O-N 3.28Å; R89-C93 VanDerWaalsContact O-N 3.11Å; R89-C93 PolarHBondContact O-SG 3.48Å; R89-C93 VanDerWaalsContact O-SG 3.39Å; D90-C93 WeakPolarHBondContact O-CB 3.32Å; D90-C93 PolarHBondContact O-N 3.33Å; L91-C93 PolarHBondContact O-N 3.29Å; C93-P95 WeakPolarHBondContact O-CD 3.47Å; C93-R98 VanDerWaalsContact C-NH2 3.32Å; C93-R98 PolarHBondContact O-NH2 3.43Å
94N91.4Very high90.4Very high58 Ų5878.5 Ų78.531%0.3139%0.391SS..  trans-73.6119.5179.2-166.3-36.8000111.9L91 L92 H96 L97 R98L91-N94 VanDerWaalsContact O-CB 3.31Å; L91-N94 WeakPolarHBondContact O-CB 3.37Å; L91-N94 PolarHBondContact O-N 3.1Å; L91-N94 VanDerWaalsContact O-N 3.11Å; L92-N94 PolarHBondContact O-N 2.87Å; N94-H96 VanDerWaalsContact C-N 3.3Å; N94-H96 PolarHBondContact O-N 3.15Å; N94-H96 WeakPolarHBondContact OD1-CB 3.31Å; N94-H96 PolarHBondContact OD1-N 3.37Å; N94-L97 HydrophobicContact CB-CB 4.19Å; N94-L97 PolarHBondContact O-N 3.49Å; N94-R98 PolarHBondContact O-N 2.97Å
95P91.6Very high90.8Very high88 Ų8878.3 Ų78.357%0.57139%0.394SS*.Hα-helixtrans-65.4-32-179.226.8-34.6000113.1C93 R98 Q99C93-P95 WeakPolarHBondContact O-CD 3.47Å; P95-R98 PolarHBondContact O-N 3.47Å; P95-Q99 PolarHBondContact O-N 3.25Å
96H90.6Very high91.1Very high89 Ų8984.2 Ų84.241%0.41242%0.424SS..Hα-helixtrans-65.3-42.9179.2-174.4-96.4000111.1N94 R98 Q99 L100N94-H96 VanDerWaalsContact C-N 3.3Å; N94-H96 PolarHBondContact O-N 3.15Å; N94-H96 WeakPolarHBondContact OD1-CB 3.31Å; N94-H96 PolarHBondContact OD1-N 3.37Å; H96-R98 VanDerWaalsContact C-N 3.35Å; H96-R98 PolarHBondContact O-N 3.26Å; H96-Q99 PolarHBondContact O-N 3.33Å; H96-L100 WeakPolarHBondContact O-CB 3.29Å; H96-L100 PolarHBondContact O-N 3.44Å
97L90.7Very high91.5Very high2 Ų280 Ų801%0.0140%0.401CS..Hα-helixtrans-62-42.5177.3-176.366.5000111.6L91 L92 N94 Q99 L100 L101 F123 F126L91-L97 HydrophobicContact CB-CD2 4.16Å; L91-L97 WeakPolarHBondContact O-CD2 3.37Å; L92-L97 HydrophobicContact CD2-CD2 4.41Å; N94-L97 HydrophobicContact CB-CB 4.19Å; N94-L97 PolarHBondContact O-N 3.49Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 3.06Å; L97-L100 PolarHBondContact O-N 2.95Å; L97-L101 HydrophobicContact CG-CD1 4.28Å; L97-L101 WeakPolarHBondContact O-CG 3.39Å; L97-L101 PolarHBondContact O-N 3.22Å; L97-F123 HydrophobicContact CD1-CD2 4.43Å; L97-F126 HydrophobicContact CD1-CB 3.98Å; L97-F126 HydrophobicContact CD1-CG 4.33Å; L97-F126 HydrophobicContact CD2-CB 3.98Å; L97-F126 HydrophobicContact CD2-CD2 3.97Å; L97-F126 HydrophobicContact CD2-CG 4.09Å
98R92.8Very high91.7Very high113 Ų11385.7 Ų85.743%0.42643%0.428SS..Hα-helixtrans-63.1-39.4175.8-63.2-173.5-149131.611.4112.4L92 C93 N94 P95 H96 L100 R102L92-R98 VanDerWaalsContact O-CZ 3.25Å; L92-R98 PolarHBondContact O-NE 3.16Å; L92-R98 PolarHBondContact O-NH2 3.25Å; C93-R98 VanDerWaalsContact C-NH2 3.32Å; C93-R98 PolarHBondContact O-NH2 3.43Å; N94-R98 PolarHBondContact O-N 2.97Å; P95-R98 PolarHBondContact O-N 3.47Å; H96-R98 VanDerWaalsContact C-N 3.35Å; H96-R98 PolarHBondContact O-N 3.26Å; R98-L100 VanDerWaalsContact C-N 3.34Å; R98-R102 VanDerWaalsContact O-CG 3.32Å; R98-R102 WeakPolarHBondContact O-CG 3.27Å; R98-R102 PolarHBondContact O-N 2.91Å
99Q92.4Very high91.9Very high140 Ų14088.9 Ų88.965%0.65445%0.45SS*.Hα-helixtrans-66-41.7177.3-178169.6-11.600110.9P95 H96 L97 R102 S103P95-Q99 PolarHBondContact O-N 3.25Å; H96-Q99 PolarHBondContact O-N 3.33Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 3.06Å; Q99-R102 PolarHBondContact O-N 3.26Å; Q99-S103 WeakPolarHBondContact O-CB 3.09Å; Q99-S103 PolarHBondContact O-N 3.28Å
100L91.8Very high92Very high26 Ų2688 Ų8814%0.13645%0.451CS..Hα-helixtrans-62-47176.2-164.974.8000111.2H96 L97 R98 R102 S103 V104 A117 E120 F123H96-L100 WeakPolarHBondContact O-CB 3.29Å; H96-L100 PolarHBondContact O-N 3.44Å; L97-L100 PolarHBondContact O-N 2.95Å; R98-L100 VanDerWaalsContact C-N 3.34Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 3.05Å; L100-S103 WeakPolarHBondContact CA-OG 3.35Å; L100-S103 PolarHBondContact O-N 3.14Å; L100-S103 VanDerWaalsContact O-N 3.1Å; L100-S103 PolarHBondContact O-OG 2.74Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 3.05Å; L100-A117 HydrophobicContact CD1-CB 4.32Å; L100-A117 HydrophobicContact CD2-CB 4.04Å; L100-A117 HydrophobicContact CG-CB 4.05Å; L100-E120 HydrophobicContact CD1-CG 4.2Å; L100-E120 HydrophobicContact CD2-CB 3.89Å; L100-E120 HydrophobicContact CD2-CG 3.98Å; L100-F123 HydrophobicContact CD2-CB 3.49Å; L100-F123 VanDerWaalsContact CD2-CB 3.49Å; L100-F123 HydrophobicContact CD2-CD2 3.6Å; L100-F123 HydrophobicContact CD2-CG 3.8Å; L100-F123 HydrophobicContact CG-CD2 4.29Å
101L92.9Very high92Very high51 Ų5186 Ų8627%0.26745%0.451SS..Hα-helixtrans-57.2-45.2175.3-73.4166.4000112.2L92 L97 S103 V104 D105 F123 F126L92-L101 HydrophobicContact CD2-CD1 3.73Å; L97-L101 HydrophobicContact CG-CD1 4.28Å; L97-L101 WeakPolarHBondContact O-CG 3.39Å; L97-L101 PolarHBondContact O-N 3.22Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 2.65Å; L101-V104 PolarHBondContact O-N 2.72Å; L101-D105 PolarHBondContact O-N 3.05Å; L101-D105 VanDerWaalsContact O-N 3.08Å; L101-F123 HydrophobicContact CD2-CD2 4.4Å; L101-F123 HydrophobicContact CD2-CE2 3.77Å; L101-F126 HydrophobicContact CD1-CE1 4.18Å; L101-F126 HydrophobicContact CD1-CE2 4.5Å; L101-F126 HydrophobicContact CD1-CZ 4.08Å; L101-F126 HydrophobicContact CD2-CD1 4.14Å; L101-F126 HydrophobicContact CD2-CE1 3.6Å; L101-F126 HydrophobicContact CD2-CZ 4.22Å; L101-F126 HydrophobicContact CG-CE1 4.47Å
102R93.9Very high92.2Very high188 Ų18888.6 Ų88.671%0.70947%0.471SS*.Hα-helixtrans-64.2-38.9175.3-71.6177.4-171.4-157.31.3112.4R98 Q99 L100 V104 D105 D106R98-R102 VanDerWaalsContact O-CG 3.32Å; R98-R102 WeakPolarHBondContact O-CG 3.27Å; R98-R102 PolarHBondContact O-N 2.91Å; Q99-R102 PolarHBondContact O-N 3.26Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 3.05Å; R102-V104 VanDerWaalsContact C-N 3.28Å; R102-V104 PolarHBondContact O-N 3.17Å; R102-D105 PolarHBondContact O-N 3.32Å; R102-D106 WeakPolarHBondContact O-CB 3.39Å; R102-D106 PolarHBondContact O-N 3.24Å
103S92.4Very high92.4Very high62 Ų6286.7 Ų86.743%0.43446%0.464SS..Hα-helixtrans-64.7-34.6178.675.60000112.2Q99 L100 L101 A107Q99-S103 WeakPolarHBondContact O-CB 3.09Å; Q99-S103 PolarHBondContact O-N 3.28Å; L100-S103 WeakPolarHBondContact CA-OG 3.35Å; L100-S103 PolarHBondContact O-N 3.14Å; L100-S103 VanDerWaalsContact O-N 3.1Å; L100-S103 PolarHBondContact O-OG 2.74Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 2.65Å; S103-A107 WeakPolarHBondContact O-CB 3.36Å; S103-A107 PolarHBondContact O-N 2.63Å; S103-A107 VanDerWaalsContact O-N 3.15Å
104V94.4Very high92.6Very high19 Ų1986.7 Ų86.712%0.11546%0.457CS..Hα-helixtrans-72.5-38175.4175.40000111.2L100 L101 R102 A113 M114 A117L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 3.05Å; L101-V104 PolarHBondContact O-N 2.72Å; R102-V104 VanDerWaalsContact C-N 3.28Å; R102-V104 PolarHBondContact O-N 3.17Å; V104-A113 HydrophobicContact CG2-CB 4.41Å; V104-M114 HydrophobicContact CG1-CE 3.96Å; V104-A117 HydrophobicContact CG2-CB 3.53Å
105D93.8Very high92.6Very high132 Ų13291.2 Ų91.271%0.70647%0.474SS*.Hα-helixtrans-69.6-41.4179.6-168.159.5000112.8L101 R102L101-D105 PolarHBondContact O-N 3.05Å; L101-D105 VanDerWaalsContact O-N 3.08Å; R102-D105 PolarHBondContact O-N 3.32Å
106D94.9Very high92.7Very high147 Ų14789.9 Ų89.979%0.78647%0.47SS*.Hα-helixtrans-83-15.1-179.3-167.1-112.3000113.5R102 E108R102-D106 WeakPolarHBondContact O-CB 3.39Å; R102-D106 PolarHBondContact O-N 3.24Å; D106-E108 PolarHBondContact O-N 3.34Å
107A94.8Very high92.7Very high25 Ų2585.7 Ų85.721%0.20745%0.45CS..  trans-60.5131.4-175.300000113.3S103 S109 A113S103-A107 WeakPolarHBondContact O-CB 3.36Å; S103-A107 PolarHBondContact O-N 2.63Å; S103-A107 VanDerWaalsContact O-N 3.15Å; A107-S109 PolarHBondContact O-N 3.37Å; A107-A113 HydrophobicContact CB-CB 3.33Å
108E90.4Very high92.8Very high212 Ų21290.8 Ų90.899%0.99148%0.476SS*.SBendtrans-58.8-35.3172.9-168.417488.600111.9D106D106-E108 PolarHBondContact O-N 3.34Å
109S93.6Very high92.8Very high68 Ų6892.4 Ų92.448%0.47649%0.488SS..  trans-114.692.4173-173.50000111.8A107 A111 S112 A113A107-S109 PolarHBondContact O-N 3.37Å; S109-A111 VanDerWaalsContact C-N 3.3Å; S109-A111 PolarHBondContact O-N 2.53Å; S109-S112 PolarHBondContact O-N 3.38Å; S109-A113 WeakPolarHBondContact O-CB 3.37Å; S109-A113 PolarHBondContact O-N 3.3Å
110K90.8Very high92.8Very high144 Ų14489.3 Ų89.363%0.62647%0.473SS*.Hα-helixtrans-57.3-38.9179.1-65.6-178.8179.3176.20113.4A113 M114K110-A113 PolarHBondContact O-N 3.21Å; K110-M114 WeakPolarHBondContact O-CB 3.45Å; K110-M114 PolarHBondContact O-N 3.34Å
111A90.1Very high92.8Very high79 Ų7992.7 Ų92.765%0.65350%0.497SS*.Hα-helixtrans-65-43.5-179.900000112S109 K115S109-A111 VanDerWaalsContact C-N 3.3Å; S109-A111 PolarHBondContact O-N 2.53Å; A111-K115 PolarHBondContact O-N 2.74Å; A111-K115 VanDerWaalsContact O-N 3.1Å
112S93Very high92.6Very high77 Ų7793 Ų9354%0.53850%0.499SS..Hα-helixtrans-70.4-42.9177.9-173.20000111.6S109 K115 A116S109-S112 PolarHBondContact O-N 3.38Å; S112-K115 PolarHBondContact O-N 3.36Å; S112-A116 PolarHBondContact O-N 2.91Å
113A93.9Very high92.6Very high20 Ų2084.7 Ų84.717%0.16547%0.468CS..Hα-helixtrans-64-41.8178.500000111.8V104 A107 S109 K110 K115 A116 A117V104-A113 HydrophobicContact CG2-CB 4.41Å; A107-A113 HydrophobicContact CB-CB 3.33Å; S109-A113 WeakPolarHBondContact O-CB 3.37Å; S109-A113 PolarHBondContact O-N 3.3Å; K110-A113 PolarHBondContact O-N 3.21Å; A113-K115 PolarHBondContact O-N 2.91Å; A113-A116 PolarHBondContact O-N 3.36Å; A113-A117 WeakPolarHBondContact O-CB 3.12Å; A113-A117 PolarHBondContact O-N 3.41Å
114M93.6Very high92.6Very high81 Ų8184.2 Ų84.240%0.39946%0.462SS..Hα-helixtrans-59.6-46.8173.4-174.659.674.400111V104 K110 A116 A117 M118 F123V104-M114 HydrophobicContact CG1-CE 3.96Å; K110-M114 WeakPolarHBondContact O-CB 3.45Å; K110-M114 PolarHBondContact O-N 3.34Å; M114-A116 VanDerWaalsContact C-N 3.3Å; M114-A116 PolarHBondContact O-N 2.91Å; M114-A117 PolarHBondContact O-N 2.93Å; M114-M118 HydrophobicContact CG-CG 4.44Å; M114-M118 HydrophobicContact CG-SD 4.39Å; M114-M118 VanDerWaalsContact O-CG 3.29Å; M114-M118 WeakPolarHBondContact O-CG 3.21Å; M114-M118 PolarHBondContact O-N 2.97Å; M114-M118 HydrophobicContact SD-CG 4.35Å; M114-F123 HydrophobicContact CE-CZ 4.47Å; M114-F123 HydrophobicContact SD-CE1 3.79Å; M114-F123 HydrophobicContact SD-CZ 3.8Å
115K92.9Very high92.5Very high153 Ų15387.7 Ų87.767%0.66548%0.477SS*.Hα-helixtrans-59.2-41178.3-172.6178-177.3179.50112.5A111 S112 A113A111-K115 PolarHBondContact O-N 2.74Å; A111-K115 VanDerWaalsContact O-N 3.1Å; S112-K115 PolarHBondContact O-N 3.36Å; A113-K115 PolarHBondContact O-N 2.91Å
116A92.9Very high92.5Very high59 Ų5982.9 Ų82.949%0.48845%0.45SS..Hα-helixtrans-67.5-45.8176.600000111.6S112 A113 M114 M118 Q119S112-A116 PolarHBondContact O-N 2.91Å; A113-A116 PolarHBondContact O-N 3.36Å; M114-A116 VanDerWaalsContact C-N 3.3Å; M114-A116 PolarHBondContact O-N 2.91Å; A116-M118 VanDerWaalsContact C-N 3.28Å; A116-M118 PolarHBondContact O-N 2.99Å; A116-Q119 WeakPolarHBondContact O-CB 3.15Å; A116-Q119 PolarHBondContact O-N 3.35Å
117A91.6Very high92.4Very high1 Ų177.4 Ų77.41%0.00843%0.425CS..Hα-helixtrans-61-36.717700000112.3L100 V104 A113 M114 Q119 E120 F123L100-A117 HydrophobicContact CD1-CB 4.32Å; L100-A117 HydrophobicContact CD2-CB 4.04Å; L100-A117 HydrophobicContact CG-CB 4.05Å; V104-A117 HydrophobicContact CG2-CB 3.53Å; A113-A117 WeakPolarHBondContact O-CB 3.12Å; A113-A117 PolarHBondContact O-N 3.41Å; M114-A117 PolarHBondContact O-N 2.93Å; A117-Q119 PolarHBondContact O-N 3.42Å; A117-Q119 VanDerWaalsContact O-N 3.15Å; A117-E120 WeakPolarHBondContact O-CB 3.36Å; A117-E120 PolarHBondContact O-N 3.1Å; A117-F123 HydrophobicContact CB-CD1 3.92Å; A117-F123 HydrophobicContact CB-CD2 4.04Å; A117-F123 HydrophobicContact CB-CE1 3.93Å; A117-F123 HydrophobicContact CB-CE2 4.04Å; A117-F123 HydrophobicContact CB-CG 3.97Å; A117-F123 HydrophobicContact CB-CZ 3.99Å; A117-F123 VanDerWaalsContact O-CB 3.22Å; A117-F123 WeakPolarHBondContact O-CB 3.45Å; A117-F123 WeakPolarHBondContact O-CD1 3.37Å; A117-F123 WeakPolarHBondContact O-CG 3.47Å
118M91.6Very high92.2Very high110 Ų11080.9 Ų80.954%0.54244%0.44SS..THydrogen-bonded Turntrans-66.2-9.7174.4-70.5-17185.300114.5M114 A116 F123 V124M114-M118 HydrophobicContact CG-CG 4.44Å; M114-M118 HydrophobicContact CG-SD 4.39Å; M114-M118 VanDerWaalsContact O-CG 3.29Å; M114-M118 WeakPolarHBondContact O-CG 3.21Å; M114-M118 PolarHBondContact O-N 2.97Å; M114-M118 HydrophobicContact SD-CG 4.35Å; A116-M118 VanDerWaalsContact C-N 3.28Å; A116-M118 PolarHBondContact O-N 2.99Å; M118-F123 HydrophobicContact CG-CD1 4.42Å; M118-F123 HydrophobicContact CG-CE1 4.23Å; M118-V124 VanDerWaalsContact O-CG2 3.29Å; M118-V124 WeakPolarHBondContact O-CG2 3.47Å
119Q92.9Very high92.1Very high146 Ų14674.1 Ų74.168%0.68241%0.405SS*.THydrogen-bonded Turntrans-83-17.6170.6-58-55.9-76.400112.4A116 A117A116-Q119 WeakPolarHBondContact O-CB 3.15Å; A116-Q119 PolarHBondContact O-N 3.35Å; A117-Q119 PolarHBondContact O-N 3.42Å; A117-Q119 VanDerWaalsContact O-N 3.15Å
120E93Very high92Very high75 Ų7571.8 Ų71.835%0.3539%0.389SS..SBendtrans-83.6120.4180-65.2-61.9144.500110L100 A117 L122 F123 V124L100-E120 HydrophobicContact CD1-CG 4.2Å; L100-E120 HydrophobicContact CD2-CB 3.89Å; L100-E120 HydrophobicContact CD2-CG 3.98Å; A117-E120 WeakPolarHBondContact O-CB 3.36Å; A117-E120 PolarHBondContact O-N 3.1Å; E120-L122 PolarHBondContact O-N 3.11Å; E120-F123 HydrophobicContact CB-CB 4.14Å; E120-F123 WeakPolarHBondContact O-CB 3.39Å; E120-F123 PolarHBondContact O-N 3.18Å; E120-V124 PolarHBondContact O-N 3Å
121P90.9Very high91.9Very high98 Ų9868.9 Ų68.964%0.63638%0.38SS*.Hα-helixtrans-61.5-33-175.123.7-33.5000112.5F123 V124 E125P121-F123 VanDerWaalsContact C-N 3.31Å; P121-F123 PolarHBondContact O-N 3.39Å; P121-V124 PolarHBondContact O-N 3.16Å; P121-E125 WeakPolarHBondContact O-CB 3.46Å; P121-E125 PolarHBondContact O-N 2.92Å
122L89.1Confident91.8Very high56 Ų5671.6 Ų71.629%0.29338%0.377SS..Hα-helixtrans-64.8-33.8176-70172.8000112.8E120 F126E120-L122 PolarHBondContact O-N 3.11Å; L122-F126 WeakPolarHBondContact O-CB 3.48Å; L122-F126 PolarHBondContact O-N 3.1Å; L122-F126 VanDerWaalsContact O-N 3.13Å
123F93.8Very high91.6Very high14 Ų1469.2 Ų69.26%0.06136%0.359CS..Hα-helixtrans-75.1-39.8178.1-173.3-97.1000111.6L97 L100 L101 M114 A117 M118 E120 P121 F126 A127L97-F123 HydrophobicContact CD1-CD2 4.43Å; L100-F123 HydrophobicContact CD2-CB 3.49Å; L100-F123 VanDerWaalsContact CD2-CB 3.49Å; L100-F123 HydrophobicContact CD2-CD2 3.6Å; L100-F123 HydrophobicContact CD2-CG 3.8Å; L100-F123 HydrophobicContact CG-CD2 4.29Å; L101-F123 HydrophobicContact CD2-CD2 4.4Å; L101-F123 HydrophobicContact CD2-CE2 3.77Å; M114-F123 HydrophobicContact CE-CZ 4.47Å; M114-F123 HydrophobicContact SD-CE1 3.79Å; M114-F123 HydrophobicContact SD-CZ 3.8Å; A117-F123 HydrophobicContact CB-CD1 3.92Å; A117-F123 HydrophobicContact CB-CD2 4.04Å; A117-F123 HydrophobicContact CB-CE1 3.93Å; A117-F123 HydrophobicContact CB-CE2 4.04Å; A117-F123 HydrophobicContact CB-CG 3.97Å; A117-F123 HydrophobicContact CB-CZ 3.99Å; A117-F123 VanDerWaalsContact O-CB 3.22Å; A117-F123 WeakPolarHBondContact O-CB 3.45Å; A117-F123 WeakPolarHBondContact O-CD1 3.37Å; A117-F123 WeakPolarHBondContact O-CG 3.47Å; M118-F123 HydrophobicContact CG-CD1 4.42Å; M118-F123 HydrophobicContact CG-CE1 4.23Å; E120-F123 HydrophobicContact CB-CB 4.14Å; E120-F123 WeakPolarHBondContact O-CB 3.39Å; E120-F123 PolarHBondContact O-N 3.18Å; P121-F123 VanDerWaalsContact C-N 3.31Å; P121-F123 PolarHBondContact O-N 3.39Å; F123-F126 WeakPolarHBondContact O-CB 3.22Å; F123-F126 PolarHBondContact O-N 3.39Å; F123-A127 WeakPolarHBondContact O-CB 3.16Å; F123-A127 PolarHBondContact O-N 2.94Å
124V93.3Very high91.2Very high52 Ų5269.2 Ų69.232%0.31536%0.357SS..Hα-helixtrans-61.8-46.6175.5178.70000110M118 E120 P121 F126 A127 D128M118-V124 VanDerWaalsContact O-CG2 3.29Å; M118-V124 WeakPolarHBondContact O-CG2 3.47Å; E120-V124 PolarHBondContact O-N 3Å; P121-V124 PolarHBondContact O-N 3.16Å; V124-F126 VanDerWaalsContact C-N 3.31Å; V124-F126 PolarHBondContact O-N 2.9Å; V124-A127 PolarHBondContact O-N 2.87Å; V124-D128 WeakPolarHBondContact O-CB 3.38Å; V124-D128 PolarHBondContact O-N 2.88Å
125E92.1Very high90.6Very high92 Ų9271.1 Ų71.143%0.4337%0.365SS..Hα-helixtrans-58.9-43175.7-173-178171.600111.9L91 P121 R129L91-E125 HydrophobicContact CD1-CG 4.47Å; L91-E125 HydrophobicContact CD2-CG 4.14Å; P121-E125 WeakPolarHBondContact O-CB 3.46Å; P121-E125 PolarHBondContact O-N 2.92Å; E125-R129 WeakPolarHBondContact O-CB 3.44Å; E125-R129 VanDerWaalsContact O-CG 3.23Å; E125-R129 WeakPolarHBondContact O-CG 2.99Å; E125-R129 PolarHBondContact O-N 2.94Å; E125-R129 VanDerWaalsContact O-N 3.07Å
126F93.1Very high89.4Confident32 Ų3265.9 Ų65.914%0.1436%0.355CS..Hα-helixtrans-60.7-48.3174.4170.3-99.2000112.2L88 L92 L97 L101 L122 F123 V124 R129 C130L88-F126 HydrophobicContact CD2-CD2 3.94Å; L88-F126 HydrophobicContact CD2-CE2 4.04Å; L92-F126 HydrophobicContact CD1-CE2 4.43Å; L92-F126 HydrophobicContact CD2-CD2 4.5Å; L92-F126 HydrophobicContact CD2-CE2 3.93Å; L92-F126 HydrophobicContact CG-CE2 4.14Å; L97-F126 HydrophobicContact CD1-CB 3.98Å; L97-F126 HydrophobicContact CD1-CG 4.33Å; L97-F126 HydrophobicContact CD2-CB 3.98Å; L97-F126 HydrophobicContact CD2-CD2 3.97Å; L97-F126 HydrophobicContact CD2-CG 4.09Å; L101-F126 HydrophobicContact CD1-CE1 4.18Å; L101-F126 HydrophobicContact CD1-CE2 4.5Å; L101-F126 HydrophobicContact CD1-CZ 4.08Å; L101-F126 HydrophobicContact CD2-CD1 4.14Å; L101-F126 HydrophobicContact CD2-CE1 3.6Å; L101-F126 HydrophobicContact CD2-CZ 4.22Å; L101-F126 HydrophobicContact CG-CE1 4.47Å; L122-F126 WeakPolarHBondContact O-CB 3.48Å; L122-F126 PolarHBondContact O-N 3.1Å; L122-F126 VanDerWaalsContact O-N 3.13Å; F123-F126 WeakPolarHBondContact O-CB 3.22Å; F123-F126 PolarHBondContact O-N 3.39Å; V124-F126 VanDerWaalsContact C-N 3.31Å; V124-F126 PolarHBondContact O-N 2.9Å; F126-R129 PolarHBondContact O-N 3.19Å; F126-C130 WeakPolarHBondContact CZ-SG 3.14Å; F126-C130 PolarHBondContact O-N 3.1Å; F126-C130 PolarHBondContact O-SG 2.86Å
127A92.5Very high87.6Confident31 Ų3167.8 Ų67.826%0.25635%0.353SS..Hα-helixtrans-62.1-45.1-179.700000111.8F123 V124 R129 C130 L131F123-A127 WeakPolarHBondContact O-CB 3.16Å; F123-A127 PolarHBondContact O-N 2.94Å; V124-A127 PolarHBondContact O-N 2.87Å; A127-R129 VanDerWaalsContact C-N 3.28Å; A127-R129 PolarHBondContact O-N 2.79Å; A127-C130 WeakPolarHBondContact O-CB 3.2Å; A127-C130 PolarHBondContact O-N 3.45Å; A127-C130 VanDerWaalsContact O-N 3.15Å; A127-L131 WeakPolarHBondContact O-CG 3.38Å; A127-L131 PolarHBondContact O-N 3.46Å
128D90.9Very high85.8Confident99 Ų9972.2 Ų72.253%0.52938%0.377SS..Hα-helixtrans-60-39.9176.4-77.2-2.6000111.5V124 L131 K132V124-D128 WeakPolarHBondContact O-CB 3.38Å; V124-D128 PolarHBondContact O-N 2.88Å; D128-L131 PolarHBondContact O-N 2.95Å; D128-K132 WeakPolarHBondContact O-CB 3.43Å; D128-K132 PolarHBondContact O-N 3.42Å
129R89.1Confident83.8Confident69 Ų6972.2 Ų72.226%0.2638%0.379SS..Hα-helixtrans-68.8-37.8175.7-70.2-60.9-169.9153.410.9112.5E87 L88 L91 E125 F126 A127 V133E87-R129 IonicContact OE1-CZ 3.18Å; E87-R129 IonicContact OE1-NH1 2.9Å; E87-R129 PolarHBondContact OE1-NH1 3.24Å; E87-R129 IonicContact OE1-NH2 2.88Å; E87-R129 PolarHBondContact OE1-NH2 3.13Å; E87-R129 IonicContact OE2-CZ 3.59Å; E87-R129 IonicContact OE2-NH1 2.74Å; E87-R129 PolarHBondContact OE2-NH1 3.5Å; L88-R129 HydrophobicContact CD2-CB 3.48Å; L88-R129 VanDerWaalsContact CD2-CB 3.48Å; L88-R129 HydrophobicContact CG-CB 4.14Å; L91-R129 HydrophobicContact CD1-CB 4.31Å; L91-R129 HydrophobicContact CD1-CG 3.89Å; E125-R129 WeakPolarHBondContact O-CB 3.44Å; E125-R129 VanDerWaalsContact O-CG 3.23Å; E125-R129 WeakPolarHBondContact O-CG 2.99Å; E125-R129 PolarHBondContact O-N 2.94Å; E125-R129 VanDerWaalsContact O-N 3.07Å; F126-R129 PolarHBondContact O-N 3.19Å; A127-R129 VanDerWaalsContact C-N 3.28Å; A127-R129 PolarHBondContact O-N 2.79Å; R129-V133 WeakPolarHBondContact O-CG2 3.48Å; R129-V133 PolarHBondContact O-N 3.47Å
130C90.1Very high81.6Confident20 Ų2068.8 Ų68.814%0.13538%0.376CS..Hα-helixtrans-61.4-49.1172.7-70.20000111.2L82 F126 A127 K132 V133 V134L82-C130 HydrophobicContact CD2-CB 3.66Å; L82-C130 WeakPolarHBondContact CD2-SG 3.27Å; F126-C130 WeakPolarHBondContact CZ-SG 3.14Å; F126-C130 PolarHBondContact O-N 3.1Å; F126-C130 PolarHBondContact O-SG 2.86Å; A127-C130 WeakPolarHBondContact O-CB 3.2Å; A127-C130 PolarHBondContact O-N 3.45Å; A127-C130 VanDerWaalsContact O-N 3.15Å; C130-K132 PolarHBondContact O-N 3.24Å; C130-V133 PolarHBondContact O-N 2.79Å; C130-V134 WeakPolarHBondContact O-CB 3.29Å; C130-V134 VanDerWaalsContact O-CG2 3.31Å; C130-V134 WeakPolarHBondContact O-CG2 3.47Å; C130-V134 PolarHBondContact O-N 2.82Å
131L89.6Confident79.4Confident82 Ų8272.6 Ų72.643%0.42940%0.398SS..Hα-helixtrans-60.8-44.1178.2-69.7173.5000111.1A127 D128 V133 V134 E135A127-L131 WeakPolarHBondContact O-CG 3.38Å; A127-L131 PolarHBondContact O-N 3.46Å; D128-L131 PolarHBondContact O-N 2.95Å; L131-V133 VanDerWaalsContact C-N 3.27Å; L131-V133 PolarHBondContact O-N 3.44Å; L131-V134 CarbonylContact O-C 3.44Å; L131-V134 PolarHBondContact O-N 3.33Å; L131-E135 VanDerWaalsContact O-CB 3.27Å; L131-E135 WeakPolarHBondContact O-CB 3.46Å; L131-E135 VanDerWaalsContact O-CG 3.29Å; L131-E135 WeakPolarHBondContact O-CG 3.4Å; L131-E135 PolarHBondContact O-N 3.02Å
132K88.3Confident77.1Confident137 Ų13771.9 Ų71.960%0.59640%0.395SS*.Hα-helixtrans-57.9-37.4177.5-171.3175.7-177.7179.80113.6D128 C130 G136D128-K132 WeakPolarHBondContact O-CB 3.43Å; D128-K132 PolarHBondContact O-N 3.42Å; C130-K132 PolarHBondContact O-N 3.24Å; K132-G136 WeakPolarHBondContact O-CA 3.48Å; K132-G136 PolarHBondContact O-N 3.27Å
133V88.1Confident74.9Confident26 Ų2673.9 Ų73.916%0.15841%0.414CS..Hα-helixtrans-73.8-40.6175.8175.70000110.7L81 L82 L88 R129 C130 L131L81-V133 HydrophobicContact CB-CG1 3.72Å; L82-V133 HydrophobicContact CG-CG1 4.41Å; L88-V133 HydrophobicContact CD1-CG2 4.06Å; R129-V133 WeakPolarHBondContact O-CG2 3.48Å; R129-V133 PolarHBondContact O-N 3.47Å; C130-V133 PolarHBondContact O-N 2.79Å; L131-V133 VanDerWaalsContact C-N 3.27Å; L131-V133 PolarHBondContact O-N 3.44Å
134V85Confident72.6Confident20 Ų2078.4 Ų78.412%0.12145%0.447CS..Hα-helixtrans-80.3-13.4-178177.20000113.1V74 R78 L82 C130 L131V74-V134 HydrophobicContact CB-CG1 4.33Å; V74-V134 HydrophobicContact CG1-CB 4.49Å; V74-V134 HydrophobicContact CG1-CG1 3.58Å; V74-V134 HydrophobicContact CG1-CG2 3.98Å; V74-V134 HydrophobicContact CG2-CG1 3.81Å; R78-V134 PolarHBondContact NE-O 3.29Å; R78-V134 VanDerWaalsContact NE-O 3.14Å; R78-V134 PolarHBondContact NH1-O 3.48Å; R78-V134 PolarHBondContact NH2-O 3.26Å; L82-V134 HydrophobicContact CD1-CG2 3.74Å; L82-V134 HydrophobicContact CG-CG2 4.39Å; C130-V134 WeakPolarHBondContact O-CB 3.29Å; C130-V134 VanDerWaalsContact O-CG2 3.31Å; C130-V134 WeakPolarHBondContact O-CG2 3.47Å; C130-V134 PolarHBondContact O-N 2.82Å; L131-V134 CarbonylContact O-C 3.44Å; L131-V134 PolarHBondContact O-N 3.33Å
135E81.7Confident69.9Low121 Ų12187.4 Ų87.457%0.56549%0.493SS*.Hα-helixtrans-109.3-23.4177.4-65174.715400111.4L131 E137L131-E135 VanDerWaalsContact O-CB 3.27Å; L131-E135 WeakPolarHBondContact O-CB 3.46Å; L131-E135 VanDerWaalsContact O-CG 3.29Å; L131-E135 WeakPolarHBondContact O-CG 3.4Å; L131-E135 PolarHBondContact O-N 3.02Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 3.01Å
136G67.6Low68.8Low44 Ų4487.2 Ų87.245%0.45450%0.497SS..THydrogen-bonded Turntrans-76.5-3-169.900000116.8K132K132-G136 WeakPolarHBondContact O-CA 3.48Å; K132-G136 PolarHBondContact O-N 3.27Å
137E56.5Low67.5Low98 Ų9890.1 Ų90.146%0.45852%0.515SS..THydrogen-bonded Turntrans-104.6-17-177.2-83.1162.368.300114.6L81 E135L81-E137 VanDerWaalsContact CD1-CD 3.48Å; L81-E137 WeakPolarHBondContact CD1-OE1 3.36Å; L81-E137 WeakPolarHBondContact CD1-OE2 3.48Å; L81-E137 WeakPolarHBondContact CD2-OE1 3.44Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 3.01Å
138D53.1Low66.1Low95 Ų9593.3 Ų93.351%0.50853%0.53SS..THydrogen-bonded Turntrans-97.7-29.6175.6-31.4-66.6000112.3R78 A140 L141R78-D138 IonicContact CZ-OD1 3.02Å; R78-D138 IonicContact CZ-OD2 3.56Å; R78-D138 IonicContact NH1-OD1 2.63Å; R78-D138 IonicContact NH1-OD2 3.53Å; R78-D138 PolarHBondContact NH1-OD2 3.2Å; R78-D138 IonicContact NH2-OD1 2.65Å; R78-D138 PolarHBondContact NH2-OD1 3.44Å; R78-D138 IonicContact NH2-OD2 3.24Å; R78-D138 PolarHBondContact NH2-OD2 3.48Å; D138-A140 PolarHBondContact O-N 2.92Å; D138-L141 PolarHBondContact O-N 2.97Å
139N49.8Very low64.6Low109 Ų10993 Ų9358%0.58353%0.53SS*.THydrogen-bonded Turntrans-77.6-9.6-177.4-161.825.1000113.5S142N139-S142 PolarHBondContact OD1-OG 3.42Å
140A46.4Very low63.1Low74 Ų7494.5 Ų94.561%0.61255%0.547SS*.THydrogen-bonded Turntrans-81.1-1517400000113.4D138D138-A140 PolarHBondContact O-N 2.92Å
141L45.6Very low61.3Low156 Ų15699.5 Ų99.582%0.81757%0.574SS**SBendtrans-104.9-5177.3-94.187.2000114.4D138D138-L141 PolarHBondContact O-N 2.97Å
142S44.5Very low59.3Low83 Ų83100.7 Ų100.758%0.5858%0.584SS**SBendtrans-104.22-179.157.20000115.2N139N139-S142 PolarHBondContact OD1-OG 3.42Å
143S43.1Very low57.1Low98 Ų9897.9 Ų97.969%0.68558%0.584SS**SBendtrans-110.248.2174.5-69.50000112
144S45.1Very low54.5Low109 Ų109103.9 Ų103.976%0.76262%0.619SS**  trans-145.768.3168.5-59.40000109.3
145D35.6Very low51.7Low240 Ų240111.5 Ų111.5100%1.28366%0.664SS**  trans-149.90145-155-104.2000109

Retrieved 145 of 145 residues in 141.3 ms (Link to these results)