U3J2V6_ANAPP Loading...

Dynein light chain

Force generating protein of respiratory cilia. Produces force towards the minus ends of microtubules. Dynein has ATPase activity.

AlphaFold DB , UniProt , Accession U3J2V6, Species ANAPP (Anas platyrhynchos platyrhynchos, Northern mallard), Gene DNAL4, Length 106 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
1M42.9Very low48Very low250 Ų250127.5 Ų127.5100%1.23270%0.699SS**  0102.20-73.9174.9169.100105.5
2A43.7Very low48.2Very low95 Ų95120.4 Ų120.479%0.78567%0.669SS**  trans-81139.5-169.300000110.8T4A2-T4 PolarHBondContact O-N 3.49Å; A2-T4 PolarHBondContact O-OG1 2.89Å
3D50.3Low48.6Very low113 Ų113117.2 Ų117.260%0.60465%0.65SS**  trans-42.2125.8178.1-165.2-73.3000113G5 E6D3-G5 PolarHBondContact OD1-N 3.23Å; D3-E6 PolarHBondContact OD1-N 2.97Å
4T50.3Low48.9Very low126 Ų126119.5 Ų119.577%0.77365%0.646SS**  trans-122.818.6173.1-27.80000110.7A2A2-T4 PolarHBondContact O-N 3.49Å; A2-T4 PolarHBondContact O-OG1 2.89Å
5G50.8Low49Very low47 Ų47120.1 Ų120.149%0.48564%0.64SS.*SBendtrans-98-29.5-170.300000113.9D3D3-G5 PolarHBondContact OD1-N 3.23Å
6E45.9Very low49.2Very low137 Ų137123.6 Ų123.664%0.6464%0.641SS**SBendtrans-77.2-42-170.1-65.5-179.3108.500113.3D3 K8 K9 E10D3-E6 PolarHBondContact OD1-N 2.97Å; E6-K8 VanDerWaalsContact C-N 3.3Å; E6-K8 PolarHBondContact O-N 3.43Å; E6-K9 PolarHBondContact O-N 3.21Å; E6-K9 VanDerWaalsContact O-N 3.08Å; E6-E10 PolarHBondContact O-N 3.28Å
7G45.8Very low49.3Very low54 Ų54123.2 Ų123.256%0.55764%0.64SS**Hα-helixtrans-66.3-22.2-176.600000115.8
8K47.8Very low49.6Very low169 Ų169119.1 Ų119.174%0.73562%0.617SS**Hα-helixtrans-81-21.8175.4-77.6-177.8176.9177.50113.1E6 A12E6-K8 VanDerWaalsContact C-N 3.3Å; E6-K8 PolarHBondContact O-N 3.43Å; K8-A12 WeakPolarHBondContact O-CB 3.29Å; K8-A12 PolarHBondContact O-N 3.08Å
9K48.5Very low50.1Low152 Ų152116.6 Ų116.666%0.66161%0.611SS**Hα-helixtrans-78.6-48.6-179.3-122.6178.2176.4-176.70110.4E6 E11 A12 D13E6-K9 PolarHBondContact O-N 3.21Å; E6-K9 VanDerWaalsContact O-N 3.08Å; K9-E11 PolarHBondContact O-N 2.71Å; K9-A12 PolarHBondContact O-N 3.18Å; K9-A12 VanDerWaalsContact O-N 3.12Å; K9-D13 PolarHBondContact O-N 3.29Å
10E50.1Low50.9Low145 Ų145118.1 Ų118.168%0.67861%0.612SS**Hα-helixtrans-60.5-40176.4-79.8177108.400113.1E6 A12 D13 Y14E6-E10 PolarHBondContact O-N 3.28Å; E10-A12 VanDerWaalsContact C-N 3.32Å; E10-A12 PolarHBondContact O-N 3.42Å; E10-D13 PolarHBondContact O-N 2.67Å; E10-Y14 VanDerWaalsContact O-CB 3.29Å; E10-Y14 WeakPolarHBondContact O-CB 3.35Å; E10-Y14 PolarHBondContact O-N 2.94Å
11E52.1Low52.4Low115 Ų115114 Ų11454%0.53759%0.593SS.*Hα-helixtrans-65.6-35.5176-125.5-146109.400112.5K9 K15K9-E11 PolarHBondContact O-N 2.71Å; E11-K15 WeakPolarHBondContact O-CB 3.39Å; E11-K15 WeakPolarHBondContact O-CG 3.38Å; E11-K15 PolarHBondContact O-N 3.22Å; E11-K15 IonicContact OE1-NZ 3.96Å; E11-K15 PolarHBondContact OE1-NZ 3.13Å
12A50.5Low54.5Low42 Ų42107.2 Ų107.235%0.34756%0.561SS.*Hα-helixtrans-75-36.5177.400000112.1K8 K9 E10 R16K8-A12 WeakPolarHBondContact O-CB 3.29Å; K8-A12 PolarHBondContact O-N 3.08Å; K9-A12 PolarHBondContact O-N 3.18Å; K9-A12 VanDerWaalsContact O-N 3.12Å; E10-A12 VanDerWaalsContact C-N 3.32Å; E10-A12 PolarHBondContact O-N 3.42Å; A12-R16 WeakPolarHBondContact O-CB 3.49Å; A12-R16 VanDerWaalsContact O-CG 3.27Å; A12-R16 WeakPolarHBondContact O-CG 3.44Å; A12-R16 PolarHBondContact O-N 2.66Å
13D53Low56.6Low79 Ų79105.5 Ų105.542%0.42254%0.538SS..Hα-helixtrans-70-36.7174-75-56.5000111.4K9 E10 R16 L17K9-D13 PolarHBondContact O-N 3.29Å; E10-D13 PolarHBondContact O-N 2.67Å; D13-R16 PolarHBondContact O-N 3.09Å; D13-L17 WeakPolarHBondContact O-CB 3.45Å; D13-L17 WeakPolarHBondContact O-CD1 3.26Å; D13-L17 WeakPolarHBondContact O-CG 3.48Å; D13-L17 PolarHBondContact O-N 3.12Å
14Y52.4Low58.5Low149 Ų149108 Ų10858%0.58454%0.539SS*.Hα-helixtrans-68.5-41.2173.6-152.6-113.4000111.9E10 R16 L17 H18E10-Y14 VanDerWaalsContact O-CB 3.29Å; E10-Y14 WeakPolarHBondContact O-CB 3.35Å; E10-Y14 PolarHBondContact O-N 2.94Å; Y14-R16 VanDerWaalsContact C-N 3.3Å; Y14-R16 PolarHBondContact O-N 3.29Å; Y14-L17 PolarHBondContact O-N 2.85Å; Y14-H18 AromaticContact CD1-CD2 3.39Å; Y14-H18 WeakPolarHBondContact CD1-CD2 3.37Å; Y14-H18 AromaticContact CD1-NE2 3.16Å; Y14-H18 WeakPolarHBondContact CD1-NE2 3.41Å; Y14-H18 AromaticContact CE1-CD2 3.55Å; Y14-H18 AromaticContact CE1-CE1 3.74Å; Y14-H18 AromaticContact CE1-NE2 2.76Å; Y14-H18 WeakPolarHBondContact CE1-NE2 3.18Å; Y14-H18 AromaticContact CG-NE2 3.97Å; Y14-H18 AromaticContact CZ-CE1 3.79Å; Y14-H18 AromaticContact CZ-NE2 3.25Å; Y14-H18 VanDerWaalsContact CZ-NE2 3.25Å; Y14-H18 WeakPolarHBondContact O-CB 3.44Å; Y14-H18 PolarHBondContact O-CD2 2.98Å; Y14-H18 VanDerWaalsContact O-CG 3.26Å; Y14-H18 PolarHBondContact O-N 3.12Å
15K50.1Low60.3Low129 Ų129106.8 Ų106.856%0.56153%0.525SS*.Hα-helixtrans-61-36.6170.7-85.2168.8170.5142.70112.5E11 H18 S19E11-K15 WeakPolarHBondContact O-CB 3.39Å; E11-K15 WeakPolarHBondContact O-CG 3.38Å; E11-K15 PolarHBondContact O-N 3.22Å; E11-K15 IonicContact OE1-NZ 3.96Å; E11-K15 PolarHBondContact OE1-NZ 3.13Å; K15-H18 PolarHBondContact O-N 2.83Å; K15-S19 PolarHBondContact O-N 2.91Å; K15-S19 PolarHBondContact O-OG 3.38Å
16R52.4Low62.3Low175 Ų175106.1 Ų106.166%0.6651%0.511SS*.Hα-helixtrans-72-37.1175.2-77174.5-179.8-173.7-0.2112.9A12 D13 Y14 H18 S19 F20A12-R16 WeakPolarHBondContact O-CB 3.49Å; A12-R16 VanDerWaalsContact O-CG 3.27Å; A12-R16 WeakPolarHBondContact O-CG 3.44Å; A12-R16 PolarHBondContact O-N 2.66Å; D13-R16 PolarHBondContact O-N 3.09Å; Y14-R16 VanDerWaalsContact C-N 3.3Å; Y14-R16 PolarHBondContact O-N 3.29Å; R16-H18 VanDerWaalsContact C-N 3.28Å; R16-S19 PolarHBondContact O-N 2.96Å; R16-F20 VanDerWaalsContact O-CD2 3.26Å; R16-F20 WeakPolarHBondContact O-CD2 3.48Å; R16-F20 WeakPolarHBondContact O-CE2 3.36Å
17L51.7Low64.4Low117 Ų117101.7 Ų101.761%0.61349%0.492SS*.Hα-helixtrans-64.7-34.3172.3-81.2156.9000111.8D13 Y14 F20D13-L17 WeakPolarHBondContact O-CB 3.45Å; D13-L17 WeakPolarHBondContact O-CD1 3.26Å; D13-L17 WeakPolarHBondContact O-CG 3.48Å; D13-L17 PolarHBondContact O-N 3.12Å; Y14-L17 PolarHBondContact O-N 2.85Å; L17-F20 PolarHBondContact O-N 3.09Å
18H55.1Low66.5Low50 Ų5099.7 Ų99.723%0.23147%0.469CS..Hα-helixtrans-78.9-15.5179.6-76.3-37.6000115.3Y14 K15 R16 F20 G95 G96Y14-H18 AromaticContact CD1-CD2 3.39Å; Y14-H18 WeakPolarHBondContact CD1-CD2 3.37Å; Y14-H18 AromaticContact CD1-NE2 3.16Å; Y14-H18 WeakPolarHBondContact CD1-NE2 3.41Å; Y14-H18 AromaticContact CE1-CD2 3.55Å; Y14-H18 AromaticContact CE1-CE1 3.74Å; Y14-H18 AromaticContact CE1-NE2 2.76Å; Y14-H18 WeakPolarHBondContact CE1-NE2 3.18Å; Y14-H18 AromaticContact CG-NE2 3.97Å; Y14-H18 AromaticContact CZ-CE1 3.79Å; Y14-H18 AromaticContact CZ-NE2 3.25Å; Y14-H18 VanDerWaalsContact CZ-NE2 3.25Å; Y14-H18 WeakPolarHBondContact O-CB 3.44Å; Y14-H18 PolarHBondContact O-CD2 2.98Å; Y14-H18 VanDerWaalsContact O-CG 3.26Å; Y14-H18 PolarHBondContact O-N 3.12Å; K15-H18 PolarHBondContact O-N 2.83Å; R16-H18 VanDerWaalsContact C-N 3.28Å; H18-F20 PolarHBondContact O-N 2.93Å; H18-G95 CarbonylContact O-C 3.53Å; H18-G95 WeakPolarHBondContact O-CA 3.36Å; H18-G95 PolarHBondContact O-N 2.97Å; H18-G96 WeakPolarHBondContact CE1-CA 2.92Å; H18-G96 WeakPolarHBondContact ND1-CA 3.46Å
19S57.8Low68.5Low72 Ų7294.8 Ų94.850%0.50345%0.454SS..THydrogen-bonded Turntrans-71.3-16.9170.6-63.90000113K15 R16K15-S19 PolarHBondContact O-N 2.91Å; K15-S19 PolarHBondContact O-OG 3.38Å; R16-S19 PolarHBondContact O-N 2.96Å
20F67.6Low70.4Confident146 Ų14694 Ų9464%0.6445%0.453SS*.SBendtrans-85.3132-179.6-72.3-81000111.9R16 L17 H18 L22R16-F20 VanDerWaalsContact O-CD2 3.26Å; R16-F20 WeakPolarHBondContact O-CD2 3.48Å; R16-F20 WeakPolarHBondContact O-CE2 3.36Å; L17-F20 PolarHBondContact O-N 3.09Å; H18-F20 PolarHBondContact O-N 2.93Å; F20-L22 PolarHBondContact O-N 2.79Å
21P81.1Confident72.2Confident32 Ų3295.2 Ų95.221%0.20846%0.458CS..  trans-64.4122.4172.228.8-35.4000109.6M37 V41 M92 F93P21-M37 HydrophobicContact CB-CG 3.83Å; P21-M37 HydrophobicContact CB-SD 4.17Å; P21-M37 HydrophobicContact CG-CE 4.44Å; P21-M37 HydrophobicContact CG-CG 3.71Å; P21-M37 HydrophobicContact CG-SD 3.66Å; P21-V41 HydrophobicContact CB-CG2 3.72Å; P21-V41 HydrophobicContact CG-CG2 3.62Å; P21-M92 HydrophobicContact CB-CE 3.71Å; P21-M92 HydrophobicContact CB-SD 4.25Å; P21-F93 CarbonylContact C-O 3.57Å; P21-F93 WeakPolarHBondContact CA-O 3.26Å
22L86.4Confident74Confident107 Ų10791 Ų9156%0.5644%0.439SS*.EExtended strand (participates in β ladder)trans-105.1107.9178.2-172.1134.1000109.6F20 R24 M92 F93F20-L22 PolarHBondContact O-N 2.79Å; L22-R24 PolarHBondContact O-N 2.83Å; L22-M92 CarbonylContact O-C 3.56Å; L22-M92 WeakPolarHBondContact O-CA 3.4Å; L22-M92 WeakPolarHBondContact O-CB 3.39Å; L22-F93 HydrophobicContact CB-CB 4.44Å; L22-F93 HydrophobicContact CD2-CD2 4.23Å; L22-F93 PolarHBondContact N-O 3.45Å; L22-F93 PolarHBondContact O-N 2.81Å
23I89.6Confident75.8Confident60 Ų6092.8 Ų92.831%0.30844%0.437SS..EExtended strand (participates in β ladder)trans-73.7115.5178.3-58.5177.7000108.9T26 R33 M37 L90 M92I23-T26 HydrophobicContact CG2-CG2 3.63Å; I23-R33 HydrophobicContact CD1-CG 3.93Å; I23-M37 HydrophobicContact CD1-SD 4.09Å; I23-M37 HydrophobicContact CG1-SD 4.44Å; I23-L90 HydrophobicContact CG1-CD1 4.45Å; I23-L90 HydrophobicContact CG2-CD1 4.21Å; I23-M92 HydrophobicContact CG1-CB 4.47Å
24R89.4Confident77.7Confident164 Ų16491.8 Ų91.862%0.61943%0.433SS*.EExtended strand (participates in β ladder)trans-86.3-39.2178.5-179.462.7177.991.4-1.4112L22 Y91 F93L22-R24 PolarHBondContact O-N 2.83Å; R24-Y91 HydrophobicContact CB-CD1 3.53Å; R24-Y91 HydrophobicContact CB-CE1 3.79Å; R24-Y91 HydrophobicContact CB-CG 4.31Å; R24-Y91 HydrophobicContact CG-CD1 3.52Å; R24-Y91 HydrophobicContact CG-CE1 3.45Å; R24-Y91 VanDerWaalsContact CG-CE1 3.45Å; R24-Y91 PolarHBondContact N-O 3.1Å; R24-F93 HydrophobicContact CB-CD2 3.98Å; R24-F93 HydrophobicContact CB-CE2 3.73Å; R24-F93 HydrophobicContact CG-CE2 3.84Å
25H88.5Confident79.5Confident101 Ų10188 Ų8847%0.46842%0.421SS..EExtended strand (participates in β ladder)trans-157.6141.1174.4-177.469.7000109.7Y91H25-Y91 PolarHBondContact N-O 3.35Å; H25-Y91 VanDerWaalsContact N-O 3.09Å; H25-Y91 WeakPolarHBondContact O-CA 3.48Å; H25-Y91 PolarHBondContact O-N 3Å; H25-Y91 VanDerWaalsContact O-O 3.07Å
26T91.4Very high81.4Confident34 Ų3481.9 Ų81.921%0.20940%0.395CS..EExtended strand (participates in β ladder)trans-156.1143.5171-175.40000109.4I23 M28 R33 L89I23-T26 HydrophobicContact CG2-CG2 3.63Å; T26-M28 PolarHBondContact OG1-N 2.79Å; T26-R33 HydrophobicContact CG2-CG 4.2Å; T26-L89 VanDerWaalsContact CA-O 3.26Å; T26-L89 WeakPolarHBondContact CA-O 3.13Å; T26-L89 PolarHBondContact OG1-O 2.85Å
27D90.5Very high83.3Confident44 Ų4475.9 Ų75.924%0.23537%0.374CS..  trans-112.72.3171.368.5-1.6000112.1H84 K87 N88 L89D27-H84 IonicContact OD2-CD2 2.75Å; D27-H84 IonicContact OD2-NE2 3.23Å; D27-H84 PolarHBondContact OD2-NE2 3.22Å; D27-K87 VanDerWaalsContact CG-CA 3.48Å; D27-K87 VanDerWaalsContact CG-N 3.33Å; D27-K87 VanDerWaalsContact O-CA 3.29Å; D27-K87 WeakPolarHBondContact O-CA 3.42Å; D27-K87 VanDerWaalsContact OD1-C 3.25Å; D27-K87 WeakPolarHBondContact OD1-CA 3.5Å; D27-K87 PolarHBondContact OD2-N 2.83Å; D27-N88 PolarHBondContact OD1-N 3.26Å; D27-N88 VanDerWaalsContact OD1-N 3.08Å; D27-L89 PolarHBondContact N-O 3.17Å; D27-L89 VanDerWaalsContact N-O 3.12Å; D27-L89 WeakPolarHBondContact OD1-CA 3.49Å; D27-L89 WeakPolarHBondContact OD1-CB 3.29Å; D27-L89 PolarHBondContact OD1-N 3.49Å
28M90Very high85.2Confident12 Ų1275.8 Ų75.86%0.05937%0.371CS..SBendtrans-66.9147.4-179.3-69.6-177.9-178.700112.3T26 M32 R33 A36 M62 W70 K87 L90T26-M28 PolarHBondContact OG1-N 2.79Å; M28-M32 HydrophobicContact CB-CG 4.5Å; M28-M32 HydrophobicContact CB-SD 4.31Å; M28-M32 HydrophobicContact CG-CG 4.47Å; M28-M32 HydrophobicContact CG-SD 3.98Å; M28-M32 HydrophobicContact SD-CG 3.99Å; M28-M32 HydrophobicContact SD-SD 4.01Å; M28-R33 HydrophobicContact CB-CB 4.16Å; M28-A36 HydrophobicContact SD-CB 4.07Å; M28-M62 HydrophobicContact CE-CE 4.06Å; M28-W70 HydrophobicContact CE-CH2 3.61Å; M28-W70 HydrophobicContact CE-CZ3 3.43Å; M28-W70 VanDerWaalsContact CE-CZ3 3.43Å; M28-K87 WeakPolarHBondContact CA-O 3.47Å; M28-L90 HydrophobicContact CE-CB 3.68Å; M28-L90 HydrophobicContact SD-CB 3.84Å
29P90.3Very high86.9Confident66 Ų6674.2 Ų74.243%0.42936%0.364SS..  trans-62.6152170.526.7-31.3000110.6E31 M32 R33P29-E31 VanDerWaalsContact C-N 3.32Å; P29-E31 PolarHBondContact O-N 3.47Å; P29-M32 HydrophobicContact CG-CB 3.83Å; P29-M32 HydrophobicContact CG-SD 4.45Å; P29-M32 PolarHBondContact O-N 3.41Å; P29-M32 VanDerWaalsContact O-N 3.12Å; P29-R33 WeakPolarHBondContact O-CB 3.33Å; P29-R33 PolarHBondContact O-N 3.07Å
30E88.5Confident88.6Confident136 Ų13670.8 Ų70.864%0.63634%0.34SS*.Hα-helixtrans-54.3-44-170176.5157.4-153.400113.8R33 V34E30-R33 PolarHBondContact O-N 3.4Å; E30-R33 IonicContact OE1-NH2 2.66Å; E30-R33 PolarHBondContact OE1-NH2 3.49Å; E30-V34 WeakPolarHBondContact O-CG2 3.45Å; E30-V34 PolarHBondContact O-N 2.83Å
31E88.1Confident89.6Confident170 Ų17065 Ų6579%0.79432%0.317SS*.Hα-helixtrans-61.4-49.3178.1-63.5179.7173.200111.9P29 R33 V34 E35P29-E31 VanDerWaalsContact C-N 3.32Å; P29-E31 PolarHBondContact O-N 3.47Å; E31-R33 PolarHBondContact O-N 3.22Å; E31-V34 PolarHBondContact O-N 3.04Å; E31-E35 PolarHBondContact O-N 3.48Å
32M89.2Confident90.1Very high27 Ų2767 Ų6713%0.13333%0.329CS..Hα-helixtrans-65.7-39.4178.6-178.4-174.2-84.700111.6M28 P29 V34 E35 A36 F66 W70M28-M32 HydrophobicContact CB-CG 4.5Å; M28-M32 HydrophobicContact CB-SD 4.31Å; M28-M32 HydrophobicContact CG-CG 4.47Å; M28-M32 HydrophobicContact CG-SD 3.98Å; M28-M32 HydrophobicContact SD-CG 3.99Å; M28-M32 HydrophobicContact SD-SD 4.01Å; P29-M32 HydrophobicContact CG-CB 3.83Å; P29-M32 HydrophobicContact CG-SD 4.45Å; P29-M32 PolarHBondContact O-N 3.41Å; P29-M32 VanDerWaalsContact O-N 3.12Å; M32-V34 VanDerWaalsContact C-N 3.35Å; M32-V34 PolarHBondContact O-N 2.84Å; M32-E35 PolarHBondContact O-N 3.39Å; M32-A36 WeakPolarHBondContact O-CB 3.32Å; M32-A36 PolarHBondContact O-N 2.83Å; M32-F66 HydrophobicContact CB-CE1 4.37Å; M32-F66 HydrophobicContact CB-CZ 4.34Å; M32-F66 HydrophobicContact CE-CB 4.15Å; M32-F66 HydrophobicContact CE-CD1 3.29Å; M32-F66 HydrophobicContact CE-CD2 4.41Å; M32-F66 HydrophobicContact CE-CE1 3.66Å; M32-F66 HydrophobicContact CE-CG 3.71Å; M32-F66 HydrophobicContact CE-CZ 4.36Å; M32-F66 HydrophobicContact CG-CD1 4.43Å; M32-F66 HydrophobicContact CG-CE1 3.97Å; M32-F66 HydrophobicContact CG-CE2 4.15Å; M32-F66 HydrophobicContact CG-CZ 3.81Å; M32-W70 HydrophobicContact SD-CH2 4.25Å
33R89.6Confident90.3Very high78 Ų7862 Ų6229%0.29430%0.302SS..Hα-helixtrans-59.4-45.6178177.3-172.266.7-178-2.1111.4I23 T26 M28 P29 E30 E31 M37I23-R33 HydrophobicContact CD1-CG 3.93Å; T26-R33 HydrophobicContact CG2-CG 4.2Å; M28-R33 HydrophobicContact CB-CB 4.16Å; P29-R33 WeakPolarHBondContact O-CB 3.33Å; P29-R33 PolarHBondContact O-N 3.07Å; E30-R33 PolarHBondContact O-N 3.4Å; E30-R33 IonicContact OE1-NH2 2.66Å; E30-R33 PolarHBondContact OE1-NH2 3.49Å; E31-R33 PolarHBondContact O-N 3.22Å; R33-M37 VanDerWaalsContact O-CB 3.23Å; R33-M37 WeakPolarHBondContact O-CB 3.48Å; R33-M37 PolarHBondContact O-N 3.47Å
34V91.1Very high90.2Very high58 Ų5859.2 Ų59.235%0.35229%0.288SS..Hα-helixtrans-63.8-48.4179.8173.30000110.1E30 E31 M32 A36 M37 E38E30-V34 WeakPolarHBondContact O-CG2 3.45Å; E30-V34 PolarHBondContact O-N 2.83Å; E31-V34 PolarHBondContact O-N 3.04Å; M32-V34 VanDerWaalsContact C-N 3.35Å; M32-V34 PolarHBondContact O-N 2.84Å; V34-A36 PolarHBondContact O-N 2.75Å; V34-M37 PolarHBondContact O-N 2.9Å; V34-E38 WeakPolarHBondContact O-CG 3.21Å; V34-E38 PolarHBondContact O-N 2.84Å
35E90.6Very high90.1Very high70 Ų7057.5 Ų57.533%0.32729%0.287SS..Hα-helixtrans-61.9-45177.9-68.6-160152.200112.5E31 M32 M37 E38 L39 K65 F66E31-E35 PolarHBondContact O-N 3.48Å; M32-E35 PolarHBondContact O-N 3.39Å; E35-M37 VanDerWaalsContact C-N 3.31Å; E35-M37 PolarHBondContact O-N 3.31Å; E35-E38 PolarHBondContact O-N 3.27Å; E35-L39 WeakPolarHBondContact O-CB 3.34Å; E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.35Å; E35-K65 IonicContact OE1-NZ 2.72Å; E35-K65 PolarHBondContact OE1-NZ 2.87Å; E35-K65 WeakPolarHBondContact OE2-CD 3.37Å; E35-K65 IonicContact OE2-NZ 3.38Å; E35-K65 PolarHBondContact OE2-NZ 3.45Å; E35-F66 WeakPolarHBondContact OE2-CZ 3.29Å
36A91.5Very high90.2Very high1 Ų158.9 Ų58.91%0.00829%0.292CS..Hα-helixtrans-62.2-40.7179.100000111.4M28 M32 V34 L39 C40 M62 L90M28-A36 HydrophobicContact SD-CB 4.07Å; M32-A36 WeakPolarHBondContact O-CB 3.32Å; M32-A36 PolarHBondContact O-N 2.83Å; V34-A36 PolarHBondContact O-N 2.75Å; A36-L39 PolarHBondContact O-N 2.79Å; A36-C40 WeakPolarHBondContact O-CB 3.49Å; A36-C40 PolarHBondContact O-N 3.3Å; A36-C40 PolarHBondContact O-SG 2.94Å; A36-M62 HydrophobicContact CB-CE 3.47Å; A36-M62 VanDerWaalsContact CB-CE 3.47Å; A36-M62 HydrophobicContact CB-SD 4.24Å; A36-L90 HydrophobicContact CB-CD2 3.65Å
37M91.2Very high90Very high48 Ų4860.6 Ų60.624%0.23630%0.295CS..Hα-helixtrans-63.3-48.2176-177.2-175.272.500111.5P21 I23 R33 V34 E35 L39 C40 V41 M92P21-M37 HydrophobicContact CB-CG 3.83Å; P21-M37 HydrophobicContact CB-SD 4.17Å; P21-M37 HydrophobicContact CG-CE 4.44Å; P21-M37 HydrophobicContact CG-CG 3.71Å; P21-M37 HydrophobicContact CG-SD 3.66Å; I23-M37 HydrophobicContact CD1-SD 4.09Å; I23-M37 HydrophobicContact CG1-SD 4.44Å; R33-M37 VanDerWaalsContact O-CB 3.23Å; R33-M37 WeakPolarHBondContact O-CB 3.48Å; R33-M37 PolarHBondContact O-N 3.47Å; V34-M37 PolarHBondContact O-N 2.9Å; E35-M37 VanDerWaalsContact C-N 3.31Å; E35-M37 PolarHBondContact O-N 3.31Å; M37-L39 VanDerWaalsContact C-N 3.31Å; M37-L39 PolarHBondContact O-N 3.1Å; M37-C40 PolarHBondContact O-N 3.38Å; M37-V41 WeakPolarHBondContact O-CG2 3.23Å; M37-V41 PolarHBondContact O-N 2.82Å; M37-M92 HydrophobicContact CG-SD 4.32Å
38E91.2Very high89.5Confident115 Ų11562.2 Ų62.254%0.53731%0.314SS..Hα-helixtrans-60.8-40.5177.3-72.8-177.7162.900112V34 E35 V41 T42V34-E38 WeakPolarHBondContact O-CG 3.21Å; V34-E38 PolarHBondContact O-N 2.84Å; E35-E38 PolarHBondContact O-N 3.27Å; E38-V41 PolarHBondContact O-N 3.19Å; E38-T42 WeakPolarHBondContact O-CB 3.35Å; E38-T42 PolarHBondContact O-N 2.94Å; E38-T42 PolarHBondContact O-OG1 3.26Å
39L92.3Very high89.2Confident18 Ų1868.7 Ų68.79%0.09436%0.355CS..Hα-helixtrans-61.5-44.7174.6-73.6169.2000111.6E35 A36 M37 T42 A43 M61 M62E35-L39 WeakPolarHBondContact O-CB 3.34Å; E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.35Å; A36-L39 PolarHBondContact O-N 2.79Å; M37-L39 VanDerWaalsContact C-N 3.31Å; M37-L39 PolarHBondContact O-N 3.1Å; L39-T42 PolarHBondContact O-N 3.44Å; L39-A43 VanDerWaalsContact O-CB 3.29Å; L39-A43 WeakPolarHBondContact O-CB 3.16Å; L39-A43 PolarHBondContact O-N 2.83Å; L39-M61 HydrophobicContact CD1-CB 4.31Å; L39-M61 HydrophobicContact CD2-CB 3.96Å; L39-M61 HydrophobicContact CD2-CE 3.16Å; L39-M61 HydrophobicContact CD2-CG 4.22Å; L39-M61 HydrophobicContact CD2-SD 3.48Å; L39-M61 WeakPolarHBondContact CD2-SD 3.34Å; L39-M62 HydrophobicContact CD1-SD 4Å
40C91.6Very high89.1Confident0 Ų068.6 Ų68.60%035%0.351CS..Hα-helixtrans-63.3-46.1178.2-68.10000111.5A36 M37 A43 C44 I58 M92 V100A36-C40 WeakPolarHBondContact O-CB 3.49Å; A36-C40 PolarHBondContact O-N 3.3Å; A36-C40 PolarHBondContact O-SG 2.94Å; M37-C40 PolarHBondContact O-N 3.38Å; C40-A43 PolarHBondContact O-N 3.27Å; C40-C44 WeakPolarHBondContact O-CB 3.46Å; C40-C44 PolarHBondContact O-N 3.08Å; C40-C44 PolarHBondContact O-SG 3.46Å; C40-I58 HydrophobicContact CB-CD1 4.21Å; C40-M92 HydrophobicContact CB-CE 3.45Å; C40-M92 VanDerWaalsContact CB-CE 3.45Å; C40-M92 HydrophobicContact CB-SD 3.66Å; C40-V100 HydrophobicContact CB-CG1 4.25Å
41V90.1Very high89.1Confident25 Ų2564.9 Ų64.915%0.15234%0.335CS..Hα-helixtrans-59.8-51.8176.8172.30000110.4P21 M37 E38 A43 C44 E45 M92 F94P21-V41 HydrophobicContact CB-CG2 3.72Å; P21-V41 HydrophobicContact CG-CG2 3.62Å; M37-V41 WeakPolarHBondContact O-CG2 3.23Å; M37-V41 PolarHBondContact O-N 2.82Å; E38-V41 PolarHBondContact O-N 3.19Å; V41-A43 VanDerWaalsContact C-N 3.3Å; V41-A43 PolarHBondContact O-N 3.42Å; V41-C44 PolarHBondContact O-N 3.31Å; V41-E45 HydrophobicContact CG1-CG 4.26Å; V41-E45 WeakPolarHBondContact O-CB 3.36Å; V41-E45 WeakPolarHBondContact O-CG 3.35Å; V41-E45 PolarHBondContact O-N 3.04Å; V41-M92 HydrophobicContact CG2-CE 4.38Å; V41-F94 HydrophobicContact CB-CE2 4.4Å; V41-F94 HydrophobicContact CG1-CE2 3.96Å; V41-F94 HydrophobicContact CG2-CD2 4.19Å; V41-F94 HydrophobicContact CG2-CE2 4.19Å
42T91.3Very high89.3Confident74 Ų7464.3 Ų64.345%0.45433%0.332SS..Hα-helixtrans-58.6-42.7-178.7-55.60000111.6E38 L39 K46E38-T42 WeakPolarHBondContact O-CB 3.35Å; E38-T42 PolarHBondContact O-N 2.94Å; E38-T42 PolarHBondContact O-OG1 3.26Å; L39-T42 PolarHBondContact O-N 3.44Å; T42-K46 WeakPolarHBondContact O-CB 3.39Å; T42-K46 PolarHBondContact O-N 2.98Å
43A90.8Very high89.4Confident0 Ų064.9 Ų64.90%034%0.339CS..Hα-helixtrans-68.8-40.8178.800000112.3L39 C40 V41 K46 Y47 A54 M57 I58L39-A43 VanDerWaalsContact O-CB 3.29Å; L39-A43 WeakPolarHBondContact O-CB 3.16Å; L39-A43 PolarHBondContact O-N 2.83Å; C40-A43 PolarHBondContact O-N 3.27Å; V41-A43 VanDerWaalsContact C-N 3.3Å; V41-A43 PolarHBondContact O-N 3.42Å; A43-K46 PolarHBondContact O-N 2.94Å; A43-Y47 WeakPolarHBondContact O-CD2 3.33Å; A43-Y47 PolarHBondContact O-N 3.44Å; A43-A54 HydrophobicContact CB-CB 4.33Å; A43-M57 HydrophobicContact CB-CB 4.44Å; A43-M57 HydrophobicContact CB-CG 4.31Å; A43-M57 HydrophobicContact CB-SD 4.13Å; A43-I58 HydrophobicContact CB-CD1 3.88Å; A43-I58 HydrophobicContact CB-CG1 3.48Å; A43-I58 VanDerWaalsContact CB-CG1 3.48Å
44C88Confident89.5Confident3 Ų361.2 Ų61.22%0.0233%0.325CS..Hα-helixtrans-68.6-38.1177.8-660000112.1C40 V41 Y47 A48 F94 L98C40-C44 WeakPolarHBondContact O-CB 3.46Å; C40-C44 PolarHBondContact O-N 3.08Å; C40-C44 PolarHBondContact O-SG 3.46Å; V41-C44 PolarHBondContact O-N 3.31Å; C44-Y47 CarbonylContact O-C 3.55Å; C44-A48 VanDerWaalsContact O-CA 3.22Å; C44-A48 WeakPolarHBondContact O-CA 3.43Å; C44-A48 PolarHBondContact O-N 2.84Å; C44-A48 VanDerWaalsContact O-N 3.09Å; C44-F94 HydrophobicContact CB-CD1 3.44Å; C44-F94 VanDerWaalsContact CB-CD1 3.44Å; C44-F94 HydrophobicContact CB-CE1 3.56Å; C44-F94 HydrophobicContact CB-CG 4.05Å; C44-F94 HydrophobicContact CB-CZ 4.26Å; C44-L98 HydrophobicContact CB-CD2 4.4Å
45E87.6Confident89.6Confident128 Ų12859.2 Ų59.260%0.59832%0.315SS*.Hα-helixtrans-67.7-42.5174.6-72.1-175.2149.800111.7V41 F94V41-E45 HydrophobicContact CG1-CG 4.26Å; V41-E45 WeakPolarHBondContact O-CB 3.36Å; V41-E45 WeakPolarHBondContact O-CG 3.35Å; V41-E45 PolarHBondContact O-N 3.04Å; E45-F94 HydrophobicContact CG-CE1 4.5Å; E45-F94 HydrophobicContact CG-CZ 3.73Å
46K89.5Confident89.8Confident130 Ų13062 Ų6257%0.56533%0.326SS*.Hα-helixtrans-69.4-35.6-179-173.9172-178.8176.10112.9T42 A43 M57T42-K46 WeakPolarHBondContact O-CB 3.39Å; T42-K46 PolarHBondContact O-N 2.98Å; A43-K46 PolarHBondContact O-N 2.94Å; K46-M57 HydrophobicContact CD-CE 3.99Å; K46-M57 HydrophobicContact CD-SD 4.33Å
47Y88.3Confident89.9Confident70 Ų7063.7 Ų63.728%0.27533%0.334SS..THydrogen-bonded Turntrans-122.147-177-57.3-77.9000112.1A43 C44 T49 N50 S53 M57A43-Y47 WeakPolarHBondContact O-CD2 3.33Å; A43-Y47 PolarHBondContact O-N 3.44Å; C44-Y47 CarbonylContact O-C 3.55Å; Y47-T49 PolarHBondContact O-N 3.34Å; Y47-N50 WeakPolarHBondContact CB-O 3.29Å; Y47-N50 CarbonylContact O-C 3.42Å; Y47-N50 PolarHBondContact O-N 2.72Å; Y47-S53 VanDerWaalsContact CD1-CB 3.5Å; Y47-M57 HydrophobicContact CD2-SD 4.49Å; Y47-M57 HydrophobicContact CE2-CB 4.3Å; Y47-M57 HydrophobicContact CE2-CE 3.65Å; Y47-M57 HydrophobicContact CE2-SD 3.82Å
48A79.8Confident90Very high77 Ų7761.4 Ų61.464%0.63632%0.323SS*.THydrogen-bonded Turntrans-57-24.8-177.500000114.6C44C44-A48 VanDerWaalsContact O-CA 3.22Å; C44-A48 WeakPolarHBondContact O-CA 3.43Å; C44-A48 PolarHBondContact O-N 2.84Å; C44-A48 VanDerWaalsContact O-N 3.09Å
49T83.4Confident90.1Very high148 Ų14859.8 Ų59.891%0.90831%0.314SS*.THydrogen-bonded Turntrans-101.3-5.6177.749.60000113.8Y47Y47-T49 PolarHBondContact O-N 3.34Å
50N88.6Confident90.2Very high65 Ų6564.3 Ų64.335%0.34834%0.335SS..  trans-136.687.4-176-168.8-23.5000111.6Y47 E52 S53 A54Y47-N50 WeakPolarHBondContact CB-O 3.29Å; Y47-N50 CarbonylContact O-C 3.42Å; Y47-N50 PolarHBondContact O-N 2.72Å; N50-E52 PolarHBondContact O-N 3.41Å; N50-E52 WeakPolarHBondContact OD1-CB 3.2Å; N50-E52 PolarHBondContact OD1-N 3.43Å; N50-S53 VanDerWaalsContact CG-OG 3.3Å; N50-S53 PolarHBondContact ND2-OG 3.37Å; N50-S53 VanDerWaalsContact ND2-OG 3.13Å; N50-S53 PolarHBondContact O-N 3.04Å; N50-S53 VanDerWaalsContact O-N 3.17Å; N50-S53 PolarHBondContact OD1-N 3.23Å; N50-S53 VanDerWaalsContact OD1-N 3.1Å; N50-S53 PolarHBondContact OD1-OG 2.98Å; N50-A54 PolarHBondContact O-N 3.5Å; N50-A54 VanDerWaalsContact O-N 3.12Å
51N88.5Confident90.3Very high58 Ų5867.7 Ų67.731%0.3135%0.352SS..Hα-helixtrans-58.7-33.3179.2-64.5-21.6000113A54 A55 I74N51-A54 PolarHBondContact O-N 2.91Å; N51-A55 WeakPolarHBondContact O-CB 3.36Å; N51-A55 PolarHBondContact O-N 3.5Å; N51-I74 HydrophobicContact CB-CB 4.34Å; N51-I74 HydrophobicContact CB-CG2 4.15Å
52E90.3Very high90.4Very high157 Ų15766.5 Ų66.573%0.73434%0.344SS*.Hα-helixtrans-65.6-43.4178.6-174.1-177.2-173.700111.1N50 A55 K56N50-E52 PolarHBondContact O-N 3.41Å; N50-E52 WeakPolarHBondContact OD1-CB 3.2Å; N50-E52 PolarHBondContact OD1-N 3.43Å; E52-A55 PolarHBondContact O-N 2.94Å; E52-K56 WeakPolarHBondContact O-CB 3.42Å; E52-K56 PolarHBondContact O-N 3.42Å
53S92Very high90.4Very high39 Ų3965.1 Ų65.127%0.27333%0.334SS..Hα-helixtrans-67.4-39177-64.30000112.1Y47 N50 K56 M57Y47-S53 VanDerWaalsContact CD1-CB 3.5Å; N50-S53 VanDerWaalsContact CG-OG 3.3Å; N50-S53 PolarHBondContact ND2-OG 3.37Å; N50-S53 VanDerWaalsContact ND2-OG 3.13Å; N50-S53 PolarHBondContact O-N 3.04Å; N50-S53 VanDerWaalsContact O-N 3.17Å; N50-S53 PolarHBondContact OD1-N 3.23Å; N50-S53 VanDerWaalsContact OD1-N 3.1Å; N50-S53 PolarHBondContact OD1-OG 2.98Å; S53-K56 PolarHBondContact O-N 3.02Å; S53-M57 PolarHBondContact O-N 3.08Å
54A92.6Very high90.5Very high1 Ų174.1 Ų74.11%0.00837%0.373CS..Hα-helixtrans-60-50.817300000111.2A43 N50 N51 K56 M57 I58 I74A43-A54 HydrophobicContact CB-CB 4.33Å; N50-A54 PolarHBondContact O-N 3.5Å; N50-A54 VanDerWaalsContact O-N 3.12Å; N51-A54 PolarHBondContact O-N 2.91Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 2.96Å; A54-M57 PolarHBondContact O-N 3.46Å; A54-I58 WeakPolarHBondContact O-CG1 3.42Å; A54-I58 PolarHBondContact O-N 2.93Å; A54-I74 HydrophobicContact CB-CD1 3.54Å
55A93.1Very high90.5Very high16 Ų1679.4 Ų79.413%0.13240%0.396CS..Hα-helixtrans-61.2-41.6-179.300000111.7N51 E52 I58 K59 V72 I74N51-A55 WeakPolarHBondContact O-CB 3.36Å; N51-A55 PolarHBondContact O-N 3.5Å; E52-A55 PolarHBondContact O-N 2.94Å; A55-I58 PolarHBondContact O-N 3.39Å; A55-K59 WeakPolarHBondContact O-CB 3.44Å; A55-K59 PolarHBondContact O-N 2.95Å; A55-V72 HydrophobicContact CB-CB 4.28Å; A55-V72 HydrophobicContact CB-CG1 3.91Å; A55-I74 HydrophobicContact CB-CD1 3.96Å; A55-I74 HydrophobicContact CB-CG1 4.12Å
56K93.9Very high90.5Very high130 Ų13075.9 Ų75.957%0.56538%0.379SS*.Hα-helixtrans-60.7-46.5176-177175.2176.1178.20112E52 S53 A54 I58 K59 E60E52-K56 WeakPolarHBondContact O-CB 3.42Å; E52-K56 PolarHBondContact O-N 3.42Å; S53-K56 PolarHBondContact O-N 3.02Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 2.96Å; K56-I58 PolarHBondContact O-N 3.03Å; K56-K59 PolarHBondContact O-N 3.09Å; K56-E60 WeakPolarHBondContact CE-OE1 3.49Å; K56-E60 HydrophobicContact CG-CG 4.43Å; K56-E60 IonicContact NZ-OE1 2.98Å; K56-E60 WeakPolarHBondContact O-CB 3.47Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 3.06Å
57M94.2Very high90.4Very high35 Ų3571.4 Ų71.417%0.17237%0.37CS..Hα-helixtrans-60.8-46.3178.2172.2172.5-82.500112A43 K46 Y47 S53 A54 E60 M61A43-M57 HydrophobicContact CB-CB 4.44Å; A43-M57 HydrophobicContact CB-CG 4.31Å; A43-M57 HydrophobicContact CB-SD 4.13Å; K46-M57 HydrophobicContact CD-CE 3.99Å; K46-M57 HydrophobicContact CD-SD 4.33Å; Y47-M57 HydrophobicContact CD2-SD 4.49Å; Y47-M57 HydrophobicContact CE2-CB 4.3Å; Y47-M57 HydrophobicContact CE2-CE 3.65Å; Y47-M57 HydrophobicContact CE2-SD 3.82Å; S53-M57 PolarHBondContact O-N 3.08Å; A54-M57 PolarHBondContact O-N 3.46Å; M57-E60 PolarHBondContact O-N 3.14Å; M57-M61 HydrophobicContact CG-CE 4.09Å; M57-M61 WeakPolarHBondContact O-CG 3.18Å; M57-M61 PolarHBondContact O-N 2.81Å; M57-M61 VanDerWaalsContact O-N 3.08Å; M57-M61 HydrophobicContact SD-CE 4.33Å
58I93.8Very high90.3Very high1 Ų172.2 Ų72.21%0.00539%0.386CS..Hα-helixtrans-61.7-48.1179.3-63166.8000109.5C40 A43 A54 A55 K56 E60 M61 M62 V72 I74 V100 V102C40-I58 HydrophobicContact CB-CD1 4.21Å; A43-I58 HydrophobicContact CB-CD1 3.88Å; A43-I58 HydrophobicContact CB-CG1 3.48Å; A43-I58 VanDerWaalsContact CB-CG1 3.48Å; A54-I58 WeakPolarHBondContact O-CG1 3.42Å; A54-I58 PolarHBondContact O-N 2.93Å; A55-I58 PolarHBondContact O-N 3.39Å; K56-I58 PolarHBondContact O-N 3.03Å; I58-E60 PolarHBondContact O-N 3.41Å; I58-M61 PolarHBondContact O-N 3.49Å; I58-M62 HydrophobicContact CG2-CG 4.1Å; I58-M62 WeakPolarHBondContact O-CB 3.39Å; I58-M62 WeakPolarHBondContact O-CG 3.18Å; I58-M62 PolarHBondContact O-N 2.92Å; I58-V72 HydrophobicContact CB-CG1 4.22Å; I58-V72 HydrophobicContact CB-CG2 4.13Å; I58-V72 HydrophobicContact CD1-CG1 4.22Å; I58-V72 HydrophobicContact CG2-CG1 4.25Å; I58-V72 HydrophobicContact CG2-CG2 3.78Å; I58-I74 HydrophobicContact CD1-CD1 3.84Å; I58-V100 HydrophobicContact CD1-CG1 4.31Å; I58-V102 HydrophobicContact CG2-CG2 4.03Å
59K93.6Very high90.9Very high81 Ų8171 Ų7135%0.35237%0.372SS..Hα-helixtrans-57.1-51.4178.6176.2173.6174.6165.50111.8A55 K56 M61 M62 D63 W70 V72A55-K59 WeakPolarHBondContact O-CB 3.44Å; A55-K59 PolarHBondContact O-N 2.95Å; K56-K59 PolarHBondContact O-N 3.09Å; K59-M61 VanDerWaalsContact C-N 3.3Å; K59-M61 PolarHBondContact O-N 3.45Å; K59-M62 PolarHBondContact O-N 2.96Å; K59-D63 WeakPolarHBondContact CE-OD2 3.34Å; K59-D63 WeakPolarHBondContact CG-OD2 3.26Å; K59-D63 WeakPolarHBondContact O-CB 3.41Å; K59-D63 PolarHBondContact O-N 2.94Å; K59-W70 WeakPolarHBondContact CD-O 3.39Å; K59-W70 WeakPolarHBondContact CE-O 3.34Å; K59-W70 PolarHBondContact NZ-O 2.93Å; K59-V72 HydrophobicContact CB-CG2 3.89Å
60E93.7Very high91.3Very high113 Ų11364 Ų6453%0.52833%0.329SS..Hα-helixtrans-60.6-38.6-178.7-75.2178.3176.300112.3K56 M57 I58 K64K56-E60 WeakPolarHBondContact CE-OE1 3.49Å; K56-E60 HydrophobicContact CG-CG 4.43Å; K56-E60 IonicContact NZ-OE1 2.98Å; K56-E60 WeakPolarHBondContact O-CB 3.47Å; K56-E60 WeakPolarHBondContact O-CG 3.39Å; K56-E60 PolarHBondContact O-N 3.06Å; M57-E60 PolarHBondContact O-N 3.14Å; I58-E60 PolarHBondContact O-N 3.41Å; E60-K64 VanDerWaalsContact O-CB 3.28Å; E60-K64 WeakPolarHBondContact O-CB 3.35Å; E60-K64 PolarHBondContact O-N 3.29Å; E60-K64 VanDerWaalsContact O-N 3.1Å
61M93Very high91.5Very high71 Ų7164.3 Ų64.335%0.3533%0.329SS..Hα-helixtrans-71.9-40.2177.4-71.9-135.1-103.400112.7L39 M57 I58 K59 K64 K65L39-M61 HydrophobicContact CD1-CB 4.31Å; L39-M61 HydrophobicContact CD2-CB 3.96Å; L39-M61 HydrophobicContact CD2-CE 3.16Å; L39-M61 HydrophobicContact CD2-CG 4.22Å; L39-M61 HydrophobicContact CD2-SD 3.48Å; L39-M61 WeakPolarHBondContact CD2-SD 3.34Å; M57-M61 HydrophobicContact CG-CE 4.09Å; M57-M61 WeakPolarHBondContact O-CG 3.18Å; M57-M61 PolarHBondContact O-N 2.81Å; M57-M61 VanDerWaalsContact O-N 3.08Å; M57-M61 HydrophobicContact SD-CE 4.33Å; I58-M61 PolarHBondContact O-N 3.49Å; K59-M61 VanDerWaalsContact C-N 3.3Å; K59-M61 PolarHBondContact O-N 3.45Å; M61-K64 PolarHBondContact O-N 2.86Å; M61-K65 PolarHBondContact O-N 3.43Å
62M91.9Very high91.8Very high0 Ų062.7 Ų62.70%032%0.321CS..Hα-helixtrans-66.3-45.3176.3-67.6-67.4-106.900111.2M28 A36 L39 I58 K59 K64 K65 F66 W70 V102M28-M62 HydrophobicContact CE-CE 4.06Å; A36-M62 HydrophobicContact CB-CE 3.47Å; A36-M62 VanDerWaalsContact CB-CE 3.47Å; A36-M62 HydrophobicContact CB-SD 4.24Å; L39-M62 HydrophobicContact CD1-SD 4Å; I58-M62 HydrophobicContact CG2-CG 4.1Å; I58-M62 WeakPolarHBondContact O-CB 3.39Å; I58-M62 WeakPolarHBondContact O-CG 3.18Å; I58-M62 PolarHBondContact O-N 2.92Å; K59-M62 PolarHBondContact O-N 2.96Å; M62-K64 VanDerWaalsContact C-N 3.25Å; M62-K64 PolarHBondContact O-N 3.29Å; M62-K65 PolarHBondContact O-N 2.93Å; M62-F66 PolarHBondContact O-N 3.42Å; M62-F66 HydrophobicContact SD-CD2 3.68Å; M62-F66 HydrophobicContact SD-CE2 3.72Å; M62-W70 HydrophobicContact CB-CB 4.07Å; M62-W70 HydrophobicContact CB-CD2 3.8Å; M62-W70 HydrophobicContact CB-CE3 4.4Å; M62-W70 HydrophobicContact CB-CG 3.63Å; M62-W70 HydrophobicContact CE-CE3 4.14Å; M62-W70 HydrophobicContact CE-CH2 4.02Å; M62-W70 HydrophobicContact CE-CZ2 4.48Å; M62-W70 HydrophobicContact CE-CZ3 3.85Å; M62-V102 HydrophobicContact CE-CG1 3.77Å; M62-V102 HydrophobicContact CG-CG1 4.48Å
63D92.2Very high92Very high45 Ų4557.8 Ų57.824%0.24130%0.301CS..Hα-helixtrans-58.5-38.2175.5-79.8-28.6000111.6K59 G67 S68 S69 W70K59-D63 WeakPolarHBondContact CE-OD2 3.34Å; K59-D63 WeakPolarHBondContact CG-OD2 3.26Å; K59-D63 WeakPolarHBondContact O-CB 3.41Å; K59-D63 PolarHBondContact O-N 2.94Å; D63-G67 WeakPolarHBondContact CA-O 3.28Å; D63-G67 CarbonylContact O-C 3.47Å; D63-G67 VanDerWaalsContact O-C 3.3Å; D63-G67 WeakPolarHBondContact O-CA 3.45Å; D63-G67 PolarHBondContact O-N 3.43Å; D63-S68 WeakPolarHBondContact OD1-CA 2.76Å; D63-S69 PolarHBondContact OD1-N 3.46Å; D63-W70 WeakPolarHBondContact OD1-CB 3.16Å; D63-W70 VanDerWaalsContact OD1-CD1 3.32Å; D63-W70 PolarHBondContact OD1-N 3.27Å
64K91.9Very high92Very high189 Ų18956.9 Ų56.982%0.82229%0.293SS*.Hα-helixtrans-72.4-38.1179.4-174.7176.6-179.9-179.40113.4E60 M61 M62E60-K64 VanDerWaalsContact O-CB 3.28Å; E60-K64 WeakPolarHBondContact O-CB 3.35Å; E60-K64 PolarHBondContact O-N 3.29Å; E60-K64 VanDerWaalsContact O-N 3.1Å; M61-K64 PolarHBondContact O-N 2.86Å; M62-K64 VanDerWaalsContact C-N 3.25Å; M62-K64 PolarHBondContact O-N 3.29Å
65K89.4Confident91.8Very high113 Ų11357.5 Ų57.549%0.49130%0.299SS..Hα-helixtrans-86.9-42.9-176.7-79.6-165.4174-166.60113.3E35 M61 M62E35-K65 IonicContact OE1-NZ 2.72Å; E35-K65 PolarHBondContact OE1-NZ 2.87Å; E35-K65 WeakPolarHBondContact OE2-CD 3.37Å; E35-K65 IonicContact OE2-NZ 3.38Å; E35-K65 PolarHBondContact OE2-NZ 3.45Å; M61-K65 PolarHBondContact O-N 3.43Å; M62-K65 PolarHBondContact O-N 2.93Å
66F86.1Confident91.6Very high55 Ų5563.9 Ų63.924%0.24133%0.326CS..Hα-helixtrans-115.312.4-166.2-56.7-66.7000113.3M32 E35 M62 W70M32-F66 HydrophobicContact CB-CE1 4.37Å; M32-F66 HydrophobicContact CB-CZ 4.34Å; M32-F66 HydrophobicContact CE-CB 4.15Å; M32-F66 HydrophobicContact CE-CD1 3.29Å; M32-F66 HydrophobicContact CE-CD2 4.41Å; M32-F66 HydrophobicContact CE-CE1 3.66Å; M32-F66 HydrophobicContact CE-CG 3.71Å; M32-F66 HydrophobicContact CE-CZ 4.36Å; M32-F66 HydrophobicContact CG-CD1 4.43Å; M32-F66 HydrophobicContact CG-CE1 3.97Å; M32-F66 HydrophobicContact CG-CE2 4.15Å; M32-F66 HydrophobicContact CG-CZ 3.81Å; E35-F66 WeakPolarHBondContact OE2-CZ 3.29Å; M62-F66 PolarHBondContact O-N 3.42Å; M62-F66 HydrophobicContact SD-CD2 3.68Å; M62-F66 HydrophobicContact SD-CE2 3.72Å; F66-W70 HydrophobicContact CB-CZ2 3.73Å; F66-W70 HydrophobicContact CD2-CZ2 4.46Å; F66-W70 HydrophobicContact CG-CZ2 4.35Å
67G87.6Confident91.2Very high36 Ų3661 Ų6137%0.37133%0.334SS..  trans86.3165.2-178.700000112.4D63 W70D63-G67 WeakPolarHBondContact CA-O 3.28Å; D63-G67 CarbonylContact O-C 3.47Å; D63-G67 VanDerWaalsContact O-C 3.3Å; D63-G67 WeakPolarHBondContact O-CA 3.45Å; D63-G67 PolarHBondContact O-N 3.43Å; G67-W70 PolarHBondContact O-NE1 2.77Å; G67-W70 VanDerWaalsContact O-NE1 3.1Å
68S87.8Confident91Very high87 Ų8762.1 Ų62.161%0.60834%0.338SS*.SBendtrans-71.8165.5-171.456.50000114.2D63D63-S68 WeakPolarHBondContact OD1-CA 2.76Å
69S90.6Very high90.7Very high51 Ų5165.9 Ų65.936%0.35738%0.377SS..  trans9027.3173.1-39.60000114.9D63 H71 C105D63-S69 PolarHBondContact OD1-N 3.46Å; S69-H71 PolarHBondContact O-ND1 3.12Å; S69-H71 VanDerWaalsContact O-ND1 3.13Å; S69-C105 PolarHBondContact O-N 3.48Å
70W93.4Very high90.3Very high0 Ų065.6 Ų65.60%038%0.376CS..EExtended strand (participates in β ladder)trans-77143.7168.9-7087.5000112.1M28 M32 K59 M62 D63 F66 G67 N88 V102 K104M28-W70 HydrophobicContact CE-CH2 3.61Å; M28-W70 HydrophobicContact CE-CZ3 3.43Å; M28-W70 VanDerWaalsContact CE-CZ3 3.43Å; M32-W70 HydrophobicContact SD-CH2 4.25Å; K59-W70 WeakPolarHBondContact CD-O 3.39Å; K59-W70 WeakPolarHBondContact CE-O 3.34Å; K59-W70 PolarHBondContact NZ-O 2.93Å; M62-W70 HydrophobicContact CB-CB 4.07Å; M62-W70 HydrophobicContact CB-CD2 3.8Å; M62-W70 HydrophobicContact CB-CE3 4.4Å; M62-W70 HydrophobicContact CB-CG 3.63Å; M62-W70 HydrophobicContact CE-CE3 4.14Å; M62-W70 HydrophobicContact CE-CH2 4.02Å; M62-W70 HydrophobicContact CE-CZ2 4.48Å; M62-W70 HydrophobicContact CE-CZ3 3.85Å; D63-W70 WeakPolarHBondContact OD1-CB 3.16Å; D63-W70 VanDerWaalsContact OD1-CD1 3.32Å; D63-W70 PolarHBondContact OD1-N 3.27Å; F66-W70 HydrophobicContact CB-CZ2 3.73Å; F66-W70 HydrophobicContact CD2-CZ2 4.46Å; F66-W70 HydrophobicContact CG-CZ2 4.35Å; G67-W70 PolarHBondContact O-NE1 2.77Å; G67-W70 VanDerWaalsContact O-NE1 3.1Å; W70-N88 HydrophobicContact CH2-CB 3.82Å; W70-N88 HydrophobicContact CZ2-CB 4.49Å; W70-N88 HydrophobicContact CZ3-CB 4.28Å; W70-V102 HydrophobicContact CE3-CG1 3.6Å; W70-V102 HydrophobicContact CZ3-CG1 3.87Å; W70-K104 HydrophobicContact CD2-CB 4.13Å; W70-K104 HydrophobicContact CD2-CD 4.42Å; W70-K104 HydrophobicContact CE3-CB 4.08Å; W70-K104 HydrophobicContact CH2-CB 4.24Å; W70-K104 HydrophobicContact CZ2-CB 4.28Å; W70-K104 HydrophobicContact CZ2-CD 3.87Å; W70-K104 HydrophobicContact CZ3-CB 4.13Å
71H92.9Very high90.1Very high73 Ų7369.6 Ų69.634%0.33840%0.395SS..EExtended strand (participates in β ladder)trans-125.2139.2175.6-66.176.2000108.2S69 V102 W103 C105S69-H71 PolarHBondContact O-ND1 3.12Å; S69-H71 VanDerWaalsContact O-ND1 3.13Å; H71-V102 WeakPolarHBondContact O-CA 3.01Å; H71-W103 HydrophobicContact CB-CD2 3.87Å; H71-W103 VanDerWaalsContact CB-CE2 3.45Å; H71-W103 HydrophobicContact CB-CE3 4.3Å; H71-W103 HydrophobicContact CB-CG 4.44Å; H71-W103 HydrophobicContact CB-CH2 4.03Å; H71-W103 HydrophobicContact CB-CZ2 3.55Å; H71-W103 HydrophobicContact CB-CZ3 4.37Å; H71-W103 PolarHBondContact N-O 3.13Å; H71-W103 PolarHBondContact O-N 2.95Å; H71-C105 PolarHBondContact ND1-SG 3.33Å; H71-C105 VanDerWaalsContact ND1-SG 3.43Å
72V94.2Very high89.9Confident24 Ų2468.6 Ų68.615%0.14539%0.39CS..EExtended strand (participates in β ladder)trans-135.5131.8-176.7-178.20000108.3A55 I58 K59 I74 C101 V102A55-V72 HydrophobicContact CB-CB 4.28Å; A55-V72 HydrophobicContact CB-CG1 3.91Å; I58-V72 HydrophobicContact CB-CG1 4.22Å; I58-V72 HydrophobicContact CB-CG2 4.13Å; I58-V72 HydrophobicContact CD1-CG1 4.22Å; I58-V72 HydrophobicContact CG2-CG1 4.25Å; I58-V72 HydrophobicContact CG2-CG2 3.78Å; K59-V72 HydrophobicContact CB-CG2 3.89Å; V72-I74 HydrophobicContact CG1-CD1 4.4Å; V72-I74 HydrophobicContact CG1-CG1 4.07Å; V72-C101 CarbonylContact C-O 3.58Å; V72-C101 WeakPolarHBondContact CA-O 3.18Å; V72-V102 HydrophobicContact CG1-CG2 4.12Å; V72-V102 HydrophobicContact CG2-CG1 4.08Å; V72-V102 HydrophobicContact CG2-CG2 4.15Å
73V93.7Very high89.8Confident53 Ų5375.1 Ų75.132%0.32143%0.43SS..EExtended strand (participates in β ladder)trans-126.7129173.7174.90000108.2F78 V100 C101 W103V73-F78 HydrophobicContact CG1-CD1 4.07Å; V73-F78 HydrophobicContact CG1-CD2 4.12Å; V73-F78 HydrophobicContact CG1-CE1 4.02Å; V73-F78 HydrophobicContact CG1-CE2 4.1Å; V73-F78 HydrophobicContact CG1-CG 4.11Å; V73-F78 HydrophobicContact CG1-CZ 4.05Å; V73-V100 WeakPolarHBondContact O-CA 3.35Å; V73-C101 PolarHBondContact N-O 3.48Å; V73-C101 PolarHBondContact O-N 3.1Å; V73-W103 HydrophobicContact CB-CH2 4.48Å; V73-W103 HydrophobicContact CB-CZ3 4.14Å; V73-W103 HydrophobicContact CG2-CH2 3.51Å; V73-W103 HydrophobicContact CG2-CZ3 3.63Å
74I92.1Very high89.6Confident21 Ų2175.9 Ų75.911%0.10843%0.432CS..EExtended strand (participates in β ladder)trans-127.9130.4176.1-56.7179.3000108N51 A54 A55 I58 V72 L98 A99 V100N51-I74 HydrophobicContact CB-CB 4.34Å; N51-I74 HydrophobicContact CB-CG2 4.15Å; A54-I74 HydrophobicContact CB-CD1 3.54Å; A55-I74 HydrophobicContact CB-CD1 3.96Å; A55-I74 HydrophobicContact CB-CG1 4.12Å; I58-I74 HydrophobicContact CD1-CD1 3.84Å; V72-I74 HydrophobicContact CG1-CD1 4.4Å; V72-I74 HydrophobicContact CG1-CG1 4.07Å; I74-L98 HydrophobicContact CG2-CD1 3.75Å; I74-L98 HydrophobicContact CG2-CD2 3.64Å; I74-L98 HydrophobicContact CG2-CG 3.65Å; I74-A99 WeakPolarHBondContact CA-O 3.4Å; I74-V100 HydrophobicContact CG1-CG1 4.14Å; I74-V100 HydrophobicContact CG1-CG2 4.2Å; I74-V100 HydrophobicContact CG2-CG2 4.3Å
75G89.8Confident89.5Confident13 Ų1370 Ų7013%0.13441%0.408CS..EExtended strand (participates in β ladder)trans-179.4164177.100000112.5A99G75-A99 PolarHBondContact N-O 3.08Å; G75-A99 WeakPolarHBondContact O-CB 2.99Å; G75-A99 PolarHBondContact O-N 3.17Å
76E88.6Confident89.3Confident150 Ų15069.9 Ų69.970%0.70142%0.416SS*.SBendtrans-79.1-22-178.4-62.1-18017200113S97 L98E76-S97 VanDerWaalsContact CA-O 3.26Å; E76-S97 WeakPolarHBondContact CA-O 3.48Å; E76-L98 HydrophobicContact CG-CD1 4.2Å
77G85.6Confident89.4Confident71 Ų7173.6 Ų73.673%0.73243%0.432SS*.SBendtrans-154.7116.7178.400000111.2
78F88.5Confident89.6Confident57 Ų5772.8 Ų72.825%0.2542%0.419CS..  trans-154.2148.9170.558.6-91000109.9V73 F80 Y91 A99 C101V73-F78 HydrophobicContact CG1-CD1 4.07Å; V73-F78 HydrophobicContact CG1-CD2 4.12Å; V73-F78 HydrophobicContact CG1-CE1 4.02Å; V73-F78 HydrophobicContact CG1-CE2 4.1Å; V73-F78 HydrophobicContact CG1-CG 4.11Å; V73-F78 HydrophobicContact CG1-CZ 4.05Å; F78-F80 AromaticContact CD2-CD1 3.75Å; F78-F80 HydrophobicContact CD2-CD1 3.75Å; F78-F80 AromaticContact CE2-CD1 3.53Å; F78-F80 HydrophobicContact CE2-CD1 3.53Å; F78-F80 AromaticContact CE2-CE1 3.9Å; F78-F80 HydrophobicContact CE2-CE1 3.9Å; F78-F80 HydrophobicContact CE2-CG 4.46Å; F78-Y91 HydrophobicContact CE2-CE2 4.27Å; F78-Y91 HydrophobicContact CZ-CE2 4.12Å; F78-A99 HydrophobicContact CD1-CB 4.38Å; F78-A99 HydrophobicContact CE1-CB 3.47Å; F78-A99 VanDerWaalsContact CE1-CB 3.47Å; F78-A99 HydrophobicContact CZ-CB 3.74Å; F78-C101 HydrophobicContact CE2-CB 3.84Å; F78-C101 HydrophobicContact CZ-CB 3.88Å
79G87.7Confident89.9Confident80 Ų8069.1 Ų69.183%0.82539%0.393SS*.  trans-107.5142.7163.100000108.4
80F86.3Confident90Very high76 Ų7666.7 Ų66.733%0.33338%0.376SS..  trans-137.8139.217767.9-82.2000110.3F78 I82 Y91 C101F78-F80 AromaticContact CD2-CD1 3.75Å; F78-F80 HydrophobicContact CD2-CD1 3.75Å; F78-F80 AromaticContact CE2-CD1 3.53Å; F78-F80 HydrophobicContact CE2-CD1 3.53Å; F78-F80 AromaticContact CE2-CE1 3.9Å; F78-F80 HydrophobicContact CE2-CE1 3.9Å; F78-F80 HydrophobicContact CE2-CG 4.46Å; F80-I82 HydrophobicContact CD2-CD1 3.86Å; F80-I82 HydrophobicContact CD2-CG1 3.89Å; F80-I82 HydrophobicContact CD2-CG2 4.26Å; F80-I82 HydrophobicContact CE2-CD1 3.98Å; F80-I82 HydrophobicContact CE2-CG1 4.21Å; F80-Y91 AromaticContact CE1-CD2 3.94Å; F80-Y91 HydrophobicContact CE1-CD2 3.94Å; F80-Y91 AromaticContact CE1-CE2 3.94Å; F80-Y91 HydrophobicContact CE1-CE2 3.94Å; F80-Y91 HydrophobicContact CE1-CG 4.29Å; F80-Y91 HydrophobicContact CZ-CD2 4.19Å; F80-Y91 HydrophobicContact CZ-CG 4.19Å; F80-C101 HydrophobicContact CE1-CB 4.29Å; F80-C101 VanDerWaalsContact CE2-SG 3.53Å; F80-C101 HydrophobicContact CZ-CB 4.4Å; F80-C101 WeakPolarHBondContact CZ-SG 3.19Å
81E89.4Confident90Very high197 Ų19768.7 Ų68.792%0.92138%0.384SS*.  trans-126.7117.6166.2-173-166.9153.500105.6
82I88.5Confident89.9Confident49 Ų4965.2 Ų65.225%0.25137%0.368SS..  trans-137.2149-173.460.6176.4000109.6F80 H84 L89 W103F80-I82 HydrophobicContact CD2-CD1 3.86Å; F80-I82 HydrophobicContact CD2-CG1 3.89Å; F80-I82 HydrophobicContact CD2-CG2 4.26Å; F80-I82 HydrophobicContact CE2-CD1 3.98Å; F80-I82 HydrophobicContact CE2-CG1 4.21Å; I82-H84 HydrophobicContact CD1-CB 4.43Å; I82-L89 HydrophobicContact CD1-CD1 4.16Å; I82-W103 HydrophobicContact CD1-CB 3.85Å; I82-W103 HydrophobicContact CD1-CD2 3.37Å; I82-W103 HydrophobicContact CD1-CE3 3.89Å; I82-W103 HydrophobicContact CD1-CG 3.35Å; I82-W103 HydrophobicContact CD1-CZ2 4.42Å; I82-W103 HydrophobicContact CG2-CZ2 4.07Å
83T89.4Confident89.7Confident138 Ų13867 Ų6785%0.84737%0.373SS*.  trans-96.4123.3162.6-53.50000107.3
84H88.1Confident89.4Confident60 Ų6065.6 Ų65.628%0.27836%0.363SS..  trans-130.7160-176.366.1-78.7000111.5D27 I82 W103 K104D27-H84 IonicContact OD2-CD2 2.75Å; D27-H84 IonicContact OD2-NE2 3.23Å; D27-H84 PolarHBondContact OD2-NE2 3.22Å; I82-H84 HydrophobicContact CD1-CB 4.43Å; H84-W103 HydrophobicContact CB-CB 4.21Å; H84-W103 HydrophobicContact CB-CG 4.46Å; H84-K104 WeakPolarHBondContact CA-O 3.27Å; H84-K104 WeakPolarHBondContact CB-O 3.4Å
85E88.9Confident88.8Confident67 Ų6766.2 Ų66.231%0.31338%0.375SS..  trans-69.2131.7172.1-169.9-169.717900109.7K87 N88 K104E85-K87 PolarHBondContact O-N 3.09Å; E85-N88 VanDerWaalsContact CD-ND2 3.35Å; E85-N88 PolarHBondContact O-N 3.46Å; E85-N88 PolarHBondContact OE2-ND2 2.96Å; E85-K104 PolarHBondContact N-O 3.26Å; E85-K104 WeakPolarHBondContact OE2-CD 3.45Å; E85-K104 IonicContact OE2-NZ 3.78Å; E85-K104 PolarHBondContact OE2-NZ 3.2Å
86V87.1Confident88.2Confident110 Ų11067.3 Ų67.367%0.66739%0.386SS*.THydrogen-bonded Turntrans-58.2140.8-179.3-164.80000110.4N88V86-N88 VanDerWaalsContact C-N 3.31Å; V86-N88 PolarHBondContact O-ND2 3.05Å
87K88.1Confident87.9Confident133 Ų13363.3 Ų63.358%0.57838%0.375SS*.THydrogen-bonded Turntrans73.415.4-179.3-47.3-177.8178.9177.30115.3D27 M28 E85D27-K87 VanDerWaalsContact CG-CA 3.48Å; D27-K87 VanDerWaalsContact CG-N 3.33Å; D27-K87 VanDerWaalsContact O-CA 3.29Å; D27-K87 WeakPolarHBondContact O-CA 3.42Å; D27-K87 VanDerWaalsContact OD1-C 3.25Å; D27-K87 WeakPolarHBondContact OD1-CA 3.5Å; D27-K87 PolarHBondContact OD2-N 2.83Å; M28-K87 WeakPolarHBondContact CA-O 3.47Å; E85-K87 PolarHBondContact O-N 3.09Å
88N91.6Very high88Confident19 Ų1960.9 Ų60.910%0.10235%0.345CS..  trans-132.840.9-179.7-62.1-75.8000112D27 W70 E85 V86 W103 K104D27-N88 PolarHBondContact OD1-N 3.26Å; D27-N88 VanDerWaalsContact OD1-N 3.08Å; W70-N88 HydrophobicContact CH2-CB 3.82Å; W70-N88 HydrophobicContact CZ2-CB 4.49Å; W70-N88 HydrophobicContact CZ3-CB 4.28Å; E85-N88 VanDerWaalsContact CD-ND2 3.35Å; E85-N88 PolarHBondContact O-N 3.46Å; E85-N88 PolarHBondContact OE2-ND2 2.96Å; V86-N88 VanDerWaalsContact C-N 3.31Å; V86-N88 PolarHBondContact O-ND2 3.05Å; N88-W103 CarbonylContact O-C 3.49Å; N88-W103 WeakPolarHBondContact O-CA 3.36Å; N88-K104 HydrophobicContact CB-CB 3.58Å; N88-K104 HydrophobicContact CB-CD 4.44Å; N88-K104 PolarHBondContact O-N 2.75Å; N88-K104 VanDerWaalsContact O-N 3.09Å
89L92.6Very high88.1Confident10 Ų1058.3 Ų58.35%0.05233%0.334CS..EExtended strand (participates in β ladder)trans-125.9130175.2177.367.8000111.3T26 D27 I82 V102 W103T26-L89 VanDerWaalsContact CA-O 3.26Å; T26-L89 WeakPolarHBondContact CA-O 3.13Å; T26-L89 PolarHBondContact OG1-O 2.85Å; D27-L89 PolarHBondContact N-O 3.17Å; D27-L89 VanDerWaalsContact N-O 3.12Å; D27-L89 WeakPolarHBondContact OD1-CA 3.49Å; D27-L89 WeakPolarHBondContact OD1-CB 3.29Å; D27-L89 PolarHBondContact OD1-N 3.49Å; I82-L89 HydrophobicContact CD1-CD1 4.16Å; L89-V102 WeakPolarHBondContact CA-O 3.42Å; L89-W103 HydrophobicContact CD1-CB 3.72Å
90L92.9Very high88.3Confident0 Ų054.5 Ų54.50%030%0.295CS..EExtended strand (participates in β ladder)trans-131.9122.7172.3175.564.4000109.2I23 M28 A36 M92 C101 V102I23-L90 HydrophobicContact CG1-CD1 4.45Å; I23-L90 HydrophobicContact CG2-CD1 4.21Å; M28-L90 HydrophobicContact CE-CB 3.68Å; M28-L90 HydrophobicContact SD-CB 3.84Å; A36-L90 HydrophobicContact CB-CD2 3.65Å; L90-M92 HydrophobicContact CD2-SD 4.34Å; L90-C101 CarbonylContact O-C 3.56Å; L90-C101 WeakPolarHBondContact O-CA 3.5Å; L90-V102 HydrophobicContact CB-CB 4.38Å; L90-V102 PolarHBondContact N-O 2.85Å; L90-V102 PolarHBondContact O-N 3.3Å
91Y93Very high88.6Confident42 Ų4250.9 Ų50.917%0.16528%0.279CS..EExtended strand (participates in β ladder)trans-124.3116.4171.8-179.1-131.8000109.5R24 H25 F78 F80 F93 A99 V100 C101R24-Y91 HydrophobicContact CB-CD1 3.53Å; R24-Y91 HydrophobicContact CB-CE1 3.79Å; R24-Y91 HydrophobicContact CB-CG 4.31Å; R24-Y91 HydrophobicContact CG-CD1 3.52Å; R24-Y91 HydrophobicContact CG-CE1 3.45Å; R24-Y91 VanDerWaalsContact CG-CE1 3.45Å; R24-Y91 PolarHBondContact N-O 3.1Å; H25-Y91 PolarHBondContact N-O 3.35Å; H25-Y91 VanDerWaalsContact N-O 3.09Å; H25-Y91 WeakPolarHBondContact O-CA 3.48Å; H25-Y91 PolarHBondContact O-N 3Å; H25-Y91 VanDerWaalsContact O-O 3.07Å; F78-Y91 HydrophobicContact CE2-CE2 4.27Å; F78-Y91 HydrophobicContact CZ-CE2 4.12Å; F80-Y91 AromaticContact CE1-CD2 3.94Å; F80-Y91 HydrophobicContact CE1-CD2 3.94Å; F80-Y91 AromaticContact CE1-CE2 3.94Å; F80-Y91 HydrophobicContact CE1-CE2 3.94Å; F80-Y91 HydrophobicContact CE1-CG 4.29Å; F80-Y91 HydrophobicContact CZ-CD2 4.19Å; F80-Y91 HydrophobicContact CZ-CG 4.19Å; Y91-F93 HydrophobicContact CE1-CE2 4.16Å; Y91-F93 HydrophobicContact CE1-CZ 4.21Å; Y91-F93 AromaticContact CZ-CZ 3.73Å; Y91-F93 WeakPolarHBondContact OH-CZ 3.46Å; Y91-A99 HydrophobicContact CE2-CB 4.08Å; Y91-V100 WeakPolarHBondContact CA-O 3.49Å; Y91-C101 HydrophobicContact CD2-CB 4.03Å
92M92.2Very high88.8Confident0 Ų041.5 Ų41.50%024%0.235CC..EExtended strand (participates in β ladder)trans-138.3162.1-177.466.9175-114.200112.1P21 L22 I23 M37 C40 V41 L90 F94 V100P21-M92 HydrophobicContact CB-CE 3.71Å; P21-M92 HydrophobicContact CB-SD 4.25Å; L22-M92 CarbonylContact O-C 3.56Å; L22-M92 WeakPolarHBondContact O-CA 3.4Å; L22-M92 WeakPolarHBondContact O-CB 3.39Å; I23-M92 HydrophobicContact CG1-CB 4.47Å; M37-M92 HydrophobicContact CG-SD 4.32Å; C40-M92 HydrophobicContact CB-CE 3.45Å; C40-M92 VanDerWaalsContact CB-CE 3.45Å; C40-M92 HydrophobicContact CB-SD 3.66Å; V41-M92 HydrophobicContact CG2-CE 4.38Å; L90-M92 HydrophobicContact CD2-SD 4.34Å; M92-F94 HydrophobicContact CE-CB 4.24Å; M92-V100 HydrophobicContact CE-CG2 4.48Å; M92-V100 HydrophobicContact CG-CB 3.9Å; M92-V100 PolarHBondContact N-O 3.38Å; M92-V100 PolarHBondContact O-N 3.4Å
93F90.3Very high89.1Confident60 Ų6040.4 Ų40.426%0.26323%0.228SC..EExtended strand (participates in β ladder)trans-111.6145170.4-66.8-82.7000110.3P21 L22 R24 Y91 L98 A99P21-F93 CarbonylContact C-O 3.57Å; P21-F93 WeakPolarHBondContact CA-O 3.26Å; L22-F93 HydrophobicContact CB-CB 4.44Å; L22-F93 HydrophobicContact CD2-CD2 4.23Å; L22-F93 PolarHBondContact N-O 3.45Å; L22-F93 PolarHBondContact O-N 2.81Å; R24-F93 HydrophobicContact CB-CD2 3.98Å; R24-F93 HydrophobicContact CB-CE2 3.73Å; R24-F93 HydrophobicContact CG-CE2 3.84Å; Y91-F93 HydrophobicContact CE1-CE2 4.16Å; Y91-F93 HydrophobicContact CE1-CZ 4.21Å; Y91-F93 AromaticContact CZ-CZ 3.73Å; Y91-F93 WeakPolarHBondContact OH-CZ 3.46Å; F93-L98 CarbonylContact C-O 3.3Å; F93-L98 VanDerWaalsContact CA-O 3.29Å; F93-L98 WeakPolarHBondContact CA-O 3.41Å; F93-A99 HydrophobicContact CD1-CB 3.74Å; F93-A99 HydrophobicContact CE1-CB 3.6Å
94F85.9Confident89.2Confident24 Ų2435.1 Ų35.111%0.10519%0.193CC..EExtended strand (participates in β ladder)trans-135.3143.5177.1-177-100.4000109.2V41 C44 E45 M92 G96 L98V41-F94 HydrophobicContact CB-CE2 4.4Å; V41-F94 HydrophobicContact CG1-CE2 3.96Å; V41-F94 HydrophobicContact CG2-CD2 4.19Å; V41-F94 HydrophobicContact CG2-CE2 4.19Å; C44-F94 HydrophobicContact CB-CD1 3.44Å; C44-F94 VanDerWaalsContact CB-CD1 3.44Å; C44-F94 HydrophobicContact CB-CE1 3.56Å; C44-F94 HydrophobicContact CB-CG 4.05Å; C44-F94 HydrophobicContact CB-CZ 4.26Å; E45-F94 HydrophobicContact CG-CE1 4.5Å; E45-F94 HydrophobicContact CG-CZ 3.73Å; M92-F94 HydrophobicContact CE-CB 4.24Å; F94-G96 PolarHBondContact O-N 2.98Å; F94-L98 HydrophobicContact CD1-CD2 4.45Å; F94-L98 PolarHBondContact N-O 3.3Å; F94-L98 WeakPolarHBondContact O-CA 3.22Å; F94-L98 WeakPolarHBondContact O-CB 3.5Å; F94-L98 PolarHBondContact O-N 3.12Å; F94-L98 VanDerWaalsContact O-O 3.11Å
95G81.1Confident89.1Confident34 Ų3435.2 Ų35.235%0.35120%0.2SC..THydrogen-bonded Turntrans65.99.117800000114.9H18 S97H18-G95 CarbonylContact O-C 3.53Å; H18-G95 WeakPolarHBondContact O-CA 3.36Å; H18-G95 PolarHBondContact O-N 2.97Å; G95-S97 PolarHBondContact O-N 3.41Å
96G76.6Confident88.2Confident37 Ų3737.1 Ų37.138%0.38122%0.221SC..THydrogen-bonded Turntrans76.8-30.3-177.100000116H18 F94H18-G96 WeakPolarHBondContact CE1-CA 2.92Å; H18-G96 WeakPolarHBondContact ND1-CA 3.46Å; F94-G96 PolarHBondContact O-N 2.98Å
97S81.1Confident88.2Confident66 Ų6633.5 Ų33.546%0.46220%0.199SC..THydrogen-bonded Turntrans-108.8-24.4-179.956.70000113.7E76 G95E76-S97 VanDerWaalsContact CA-O 3.26Å; E76-S97 WeakPolarHBondContact CA-O 3.48Å; G95-S97 PolarHBondContact O-N 3.41Å
98L88Confident88.2Confident19 Ų1928.3 Ų28.310%0.09918%0.179CC..EExtended strand (participates in β ladder)trans-93.1122.4-172-16169.5000110.5C44 I74 E76 F93 F94C44-L98 HydrophobicContact CB-CD2 4.4Å; I74-L98 HydrophobicContact CG2-CD1 3.75Å; I74-L98 HydrophobicContact CG2-CD2 3.64Å; I74-L98 HydrophobicContact CG2-CG 3.65Å; E76-L98 HydrophobicContact CG-CD1 4.2Å; F93-L98 CarbonylContact C-O 3.3Å; F93-L98 VanDerWaalsContact CA-O 3.29Å; F93-L98 WeakPolarHBondContact CA-O 3.41Å; F94-L98 HydrophobicContact CD1-CD2 4.45Å; F94-L98 PolarHBondContact N-O 3.3Å; F94-L98 WeakPolarHBondContact O-CA 3.22Å; F94-L98 WeakPolarHBondContact O-CB 3.5Å; F94-L98 PolarHBondContact O-N 3.12Å; F94-L98 VanDerWaalsContact O-O 3.11Å
99A90.8Very high88Confident3 Ų328.8 Ų28.83%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-96.1139.6171.100000110.1I74 G75 F78 Y91 F93I74-A99 WeakPolarHBondContact CA-O 3.4Å; G75-A99 PolarHBondContact N-O 3.08Å; G75-A99 WeakPolarHBondContact O-CB 2.99Å; G75-A99 PolarHBondContact O-N 3.17Å; F78-A99 HydrophobicContact CD1-CB 4.38Å; F78-A99 HydrophobicContact CE1-CB 3.47Å; F78-A99 VanDerWaalsContact CE1-CB 3.47Å; F78-A99 HydrophobicContact CZ-CB 3.74Å; Y91-A99 HydrophobicContact CE2-CB 4.08Å; F93-A99 HydrophobicContact CD1-CB 3.74Å; F93-A99 HydrophobicContact CE1-CB 3.6Å
100V92.4Very high87.8Confident0 Ų029.9 Ų29.90%019%0.19CC..EExtended strand (participates in β ladder)trans-124.6120.3176.4-177.20000108C40 I58 V73 I74 Y91 M92 V102C40-V100 HydrophobicContact CB-CG1 4.25Å; I58-V100 HydrophobicContact CD1-CG1 4.31Å; V73-V100 WeakPolarHBondContact O-CA 3.35Å; I74-V100 HydrophobicContact CG1-CG1 4.14Å; I74-V100 HydrophobicContact CG1-CG2 4.2Å; I74-V100 HydrophobicContact CG2-CG2 4.3Å; Y91-V100 WeakPolarHBondContact CA-O 3.49Å; M92-V100 HydrophobicContact CE-CG2 4.48Å; M92-V100 HydrophobicContact CG-CB 3.9Å; M92-V100 PolarHBondContact N-O 3.38Å; M92-V100 PolarHBondContact O-N 3.4Å; V100-V102 HydrophobicContact CG1-CG2 4.02Å
101C93.3Very high87.4Confident0 Ų031.8 Ų31.80%020%0.202CC..EExtended strand (participates in β ladder)trans-118.3126.9174.5-171.60000109.1V72 V73 F78 F80 L90 Y91 W103V72-C101 CarbonylContact C-O 3.58Å; V72-C101 WeakPolarHBondContact CA-O 3.18Å; V73-C101 PolarHBondContact N-O 3.48Å; V73-C101 PolarHBondContact O-N 3.1Å; F78-C101 HydrophobicContact CE2-CB 3.84Å; F78-C101 HydrophobicContact CZ-CB 3.88Å; F80-C101 HydrophobicContact CE1-CB 4.29Å; F80-C101 VanDerWaalsContact CE2-SG 3.53Å; F80-C101 HydrophobicContact CZ-CB 4.4Å; F80-C101 WeakPolarHBondContact CZ-SG 3.19Å; L90-C101 CarbonylContact O-C 3.56Å; L90-C101 WeakPolarHBondContact O-CA 3.5Å; Y91-C101 HydrophobicContact CD2-CB 4.03Å; C101-W103 HydrophobicContact CB-CE3 4.47Å; C101-W103 HydrophobicContact CB-CZ3 4.32Å
102V93.9Very high87.1Confident0 Ų031.1 Ų31.10%021%0.205CC..EExtended strand (participates in β ladder)trans-129.7126.4-179.9-1770000108I58 M62 W70 H71 V72 L89 L90 V100I58-V102 HydrophobicContact CG2-CG2 4.03Å; M62-V102 HydrophobicContact CE-CG1 3.77Å; M62-V102 HydrophobicContact CG-CG1 4.48Å; W70-V102 HydrophobicContact CE3-CG1 3.6Å; W70-V102 HydrophobicContact CZ3-CG1 3.87Å; H71-V102 WeakPolarHBondContact O-CA 3.01Å; V72-V102 HydrophobicContact CG1-CG2 4.12Å; V72-V102 HydrophobicContact CG2-CG1 4.08Å; V72-V102 HydrophobicContact CG2-CG2 4.15Å; L89-V102 WeakPolarHBondContact CA-O 3.42Å; L90-V102 HydrophobicContact CB-CB 4.38Å; L90-V102 PolarHBondContact N-O 2.85Å; L90-V102 PolarHBondContact O-N 3.3Å; V100-V102 HydrophobicContact CG1-CG2 4.02Å
103W93.8Very high86.7Confident27 Ų2733.3 Ų33.310%0.10222%0.22CC..EExtended strand (participates in β ladder)trans-147.2160.7177.173.296.7000113.2H71 V73 I82 H84 N88 L89 C101 C105H71-W103 HydrophobicContact CB-CD2 3.87Å; H71-W103 VanDerWaalsContact CB-CE2 3.45Å; H71-W103 HydrophobicContact CB-CE3 4.3Å; H71-W103 HydrophobicContact CB-CG 4.44Å; H71-W103 HydrophobicContact CB-CH2 4.03Å; H71-W103 HydrophobicContact CB-CZ2 3.55Å; H71-W103 HydrophobicContact CB-CZ3 4.37Å; H71-W103 PolarHBondContact N-O 3.13Å; H71-W103 PolarHBondContact O-N 2.95Å; V73-W103 HydrophobicContact CB-CH2 4.48Å; V73-W103 HydrophobicContact CB-CZ3 4.14Å; V73-W103 HydrophobicContact CG2-CH2 3.51Å; V73-W103 HydrophobicContact CG2-CZ3 3.63Å; I82-W103 HydrophobicContact CD1-CB 3.85Å; I82-W103 HydrophobicContact CD1-CD2 3.37Å; I82-W103 HydrophobicContact CD1-CE3 3.89Å; I82-W103 HydrophobicContact CD1-CG 3.35Å; I82-W103 HydrophobicContact CD1-CZ2 4.42Å; I82-W103 HydrophobicContact CG2-CZ2 4.07Å; H84-W103 HydrophobicContact CB-CB 4.21Å; H84-W103 HydrophobicContact CB-CG 4.46Å; N88-W103 CarbonylContact O-C 3.49Å; N88-W103 WeakPolarHBondContact O-CA 3.36Å; L89-W103 HydrophobicContact CD1-CB 3.72Å; C101-W103 HydrophobicContact CB-CE3 4.47Å; C101-W103 HydrophobicContact CB-CZ3 4.32Å; W103-C105 PolarHBondContact NE1-SG 2.93Å
104K92.4Very high86.4Confident27 Ų2731.2 Ų31.212%0.11722%0.216CC..EExtended strand (participates in β ladder)trans-109.9133.1172.9-169164.4175.8-85.50110.4W70 H84 E85 N88 S106W70-K104 HydrophobicContact CD2-CB 4.13Å; W70-K104 HydrophobicContact CD2-CD 4.42Å; W70-K104 HydrophobicContact CE3-CB 4.08Å; W70-K104 HydrophobicContact CH2-CB 4.24Å; W70-K104 HydrophobicContact CZ2-CB 4.28Å; W70-K104 HydrophobicContact CZ2-CD 3.87Å; W70-K104 HydrophobicContact CZ3-CB 4.13Å; H84-K104 WeakPolarHBondContact CA-O 3.27Å; H84-K104 WeakPolarHBondContact CB-O 3.4Å; E85-K104 PolarHBondContact N-O 3.26Å; E85-K104 WeakPolarHBondContact OE2-CD 3.45Å; E85-K104 IonicContact OE2-NZ 3.78Å; E85-K104 PolarHBondContact OE2-NZ 3.2Å; N88-K104 HydrophobicContact CB-CB 3.58Å; N88-K104 HydrophobicContact CB-CD 4.44Å; N88-K104 PolarHBondContact O-N 2.75Å; N88-K104 VanDerWaalsContact O-N 3.09Å; K104-S106 WeakPolarHBondContact CE-O 3.38Å; K104-S106 WeakPolarHBondContact CG-O 3.36Å; K104-S106 PolarHBondContact NZ-O 3.35Å
105C84.6Confident86.5Confident61 Ų6131.8 Ų31.841%0.41223%0.225SC..  trans-88-14.1-176-74.10000114.4S69 H71 W103S69-C105 PolarHBondContact O-N 3.48Å; H71-C105 PolarHBondContact ND1-SG 3.33Å; H71-C105 VanDerWaalsContact ND1-SG 3.43Å; W103-C105 PolarHBondContact NE1-SG 2.93Å
106S69.8Low87Confident108 Ų10831.6 Ų31.676%0.75521%0.214SC*.  trans-158.70-175.7-171.90000112.8K104K104-S106 WeakPolarHBondContact CE-O 3.38Å; K104-S106 WeakPolarHBondContact CG-O 3.36Å; K104-S106 PolarHBondContact NZ-O 3.35Å

Retrieved 106 of 106 residues in 104.5 ms (Link to these results)

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